USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 MET CE :methyl -130:sc= -0.833 (180deg=-0.0557) USER MOD Set 1.2: A 56 ASN : amide:sc= -4.78! K(o=-5.6!,f=-1.3) USER MOD Set 2.1: A 13 GLN : amide:sc= 0.049 K(o=0.19,f=-11!) USER MOD Set 2.2: A 115 THR OG1 : rot -86:sc= 0.139 USER MOD Single : A 10 GLN : amide:sc= 1.01 K(o=1,f=-0.15) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 32:sc= 0.0117 USER MOD Single : A 19 SER OG : rot 0:sc= 0.909 USER MOD Single : A 25 SER OG : rot 37:sc= 0.668 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 151:sc= -0.978 (180deg=-1.62) USER MOD Single : A 33 THR OG1 : rot 140:sc= -3! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.8!) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 0.0582 (180deg=0.037) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 43:sc= 0.54 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -2.82! C(o=-2.8!,f=-2!) USER MOD Single : A 80 SER OG : rot -72:sc= 0.382 USER MOD Single : A 82 SER OG : rot -85:sc= -0.196 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.796 X(o=-0.8,f=-0.48) USER MOD Single : A 87 THR OG1 : rot -77:sc= 0.1 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 94 TYR OH : rot -46:sc= 0.985 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.014 USER MOD Single : A 98 LYS NZ :NH3+ -122:sc= -0.0128 (180deg=-2.09!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -0.4 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -7.523 26.054 -5.328 1.00 0.00 N ATOM 67 CA GLU A 8 -7.290 25.761 -3.919 1.00 0.00 C ATOM 68 C GLU A 8 -6.592 24.415 -3.751 1.00 0.00 C ATOM 69 O GLU A 8 -6.290 23.732 -4.732 1.00 0.00 O ATOM 70 CB GLU A 8 -8.613 25.761 -3.150 1.00 0.00 C ATOM 71 CG GLU A 8 -9.372 24.448 -3.245 1.00 0.00 C ATOM 72 CD GLU A 8 -9.975 24.221 -4.618 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.631 25.148 -5.138 1.00 0.00 O ATOM 74 OE2 GLU A 8 -9.791 23.118 -5.173 1.00 0.00 O ATOM 0 HA GLU A 8 -6.643 26.539 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.414 25.981 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.244 26.564 -3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.698 23.625 -3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.165 24.436 -2.497 1.00 0.00 H new ATOM 81 N LEU A 9 -6.337 24.038 -2.503 1.00 0.00 N ATOM 82 CA LEU A 9 -5.674 22.774 -2.205 1.00 0.00 C ATOM 83 C LEU A 9 -6.404 21.607 -2.863 1.00 0.00 C ATOM 84 O LEU A 9 -7.600 21.691 -3.143 1.00 0.00 O ATOM 85 CB LEU A 9 -5.601 22.557 -0.693 1.00 0.00 C ATOM 86 CG LEU A 9 -5.109 21.184 -0.234 1.00 0.00 C ATOM 87 CD1 LEU A 9 -4.384 21.294 1.098 1.00 0.00 C ATOM 88 CD2 LEU A 9 -6.272 20.208 -0.132 1.00 0.00 C ATOM 0 H LEU A 9 -6.580 24.590 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.662 22.820 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.944 23.316 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.593 22.724 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.406 20.805 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.041 20.307 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.527 21.959 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.063 21.695 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.904 19.236 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.999 20.582 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.748 20.106 -1.107 1.00 0.00 H new ATOM 100 N GLN A 10 -5.677 20.521 -3.104 1.00 0.00 N ATOM 101 CA GLN A 10 -6.258 19.337 -3.728 1.00 0.00 C ATOM 102 C GLN A 10 -5.309 18.148 -3.625 1.00 0.00 C ATOM 103 O GLN A 10 -4.129 18.250 -3.964 1.00 0.00 O ATOM 104 CB GLN A 10 -6.587 19.617 -5.195 1.00 0.00 C ATOM 105 CG GLN A 10 -6.795 18.359 -6.023 1.00 0.00 C ATOM 106 CD GLN A 10 -8.089 17.646 -5.685 1.00 0.00 C ATOM 107 OE1 GLN A 10 -9.154 18.261 -5.629 1.00 0.00 O ATOM 108 NE2 GLN A 10 -8.004 16.340 -5.458 1.00 0.00 N ATOM 0 H GLN A 10 -4.686 20.436 -2.877 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.178 19.092 -3.198 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.488 20.229 -5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.779 20.202 -5.635 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.794 18.621 -7.081 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.958 17.680 -5.862 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.100 15.870 -5.515 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.842 15.807 -5.227 1.00 0.00 H new ATOM 117 N VAL A 11 -5.831 17.019 -3.156 1.00 0.00 N ATOM 118 CA VAL A 11 -5.031 15.809 -3.009 1.00 0.00 C ATOM 119 C VAL A 11 -4.891 15.078 -4.340 1.00 0.00 C ATOM 120 O VAL A 11 -5.880 14.623 -4.916 1.00 0.00 O ATOM 121 CB VAL A 11 -5.646 14.852 -1.972 1.00 0.00 C ATOM 122 CG1 VAL A 11 -7.162 14.843 -2.086 1.00 0.00 C ATOM 123 CG2 VAL A 11 -5.082 13.449 -2.142 1.00 0.00 C ATOM 0 H VAL A 11 -6.805 16.917 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.045 16.121 -2.664 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.383 15.207 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.579 14.161 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.546 15.848 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.450 14.514 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.528 12.785 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.313 13.083 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.001 13.472 -2.005 1.00 0.00 H new ATOM 133 N ILE A 12 -3.658 14.969 -4.822 1.00 0.00 N ATOM 134 CA ILE A 12 -3.389 14.292 -6.084 1.00 0.00 C ATOM 135 C ILE A 12 -3.155 12.800 -5.869 1.00 0.00 C ATOM 136 O ILE A 12 -2.257 12.405 -5.127 1.00 0.00 O ATOM 137 CB ILE A 12 -2.164 14.894 -6.797 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.334 16.406 -6.961 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.958 14.229 -8.150 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.149 16.794 -8.175 1.00 0.00 C ATOM 0 H ILE A 12 -2.829 15.341 -4.358 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.270 14.433 -6.711 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.280 14.711 -6.186 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.813 16.809 -6.068 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.350 16.869 -7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.088 14.666 -8.641 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.797 13.160 -8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.841 14.384 -8.770 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.228 17.880 -8.228 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.660 16.422 -9.075 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.146 16.361 -8.098 1.00 0.00 H new ATOM 152 N GLN A 13 -3.969 11.979 -6.524 1.00 0.00 N ATOM 153 CA GLN A 13 -3.849 10.530 -6.405 1.00 0.00 C ATOM 154 C GLN A 13 -3.520 9.898 -7.753 1.00 0.00 C ATOM 155 O GLN A 13 -4.400 9.442 -8.483 1.00 0.00 O ATOM 156 CB GLN A 13 -5.144 9.934 -5.851 1.00 0.00 C ATOM 157 CG GLN A 13 -5.171 9.839 -4.334 1.00 0.00 C ATOM 158 CD GLN A 13 -6.007 8.676 -3.837 1.00 0.00 C ATOM 159 OE1 GLN A 13 -6.785 8.090 -4.589 1.00 0.00 O ATOM 160 NE2 GLN A 13 -5.849 8.336 -2.563 1.00 0.00 N ATOM 0 H GLN A 13 -4.718 12.291 -7.142 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.033 10.314 -5.715 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.985 10.542 -6.183 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.285 8.938 -6.271 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.152 9.734 -3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.566 10.768 -3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.192 8.850 -1.976 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.384 7.561 -2.172 1.00 0.00 H new ATOM 169 N PRO A 14 -2.223 9.870 -8.094 1.00 0.00 N ATOM 170 CA PRO A 14 -1.748 9.297 -9.356 1.00 0.00 C ATOM 171 C PRO A 14 -1.891 7.779 -9.394 1.00 0.00 C ATOM 172 O PRO A 14 -2.328 7.213 -10.395 1.00 0.00 O ATOM 173 CB PRO A 14 -0.271 9.695 -9.394 1.00 0.00 C ATOM 174 CG PRO A 14 0.109 9.876 -7.965 1.00 0.00 C ATOM 175 CD PRO A 14 -1.120 10.397 -7.272 1.00 0.00 C ATOM 0 HA PRO A 14 -2.323 9.658 -10.209 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.335 8.924 -9.870 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.123 10.613 -9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.435 8.933 -7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.938 10.576 -7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.181 10.044 -6.243 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.130 11.486 -7.236 1.00 0.00 H new ATOM 183 N GLU A 15 -1.520 7.127 -8.296 1.00 0.00 N ATOM 184 CA GLU A 15 -1.608 5.674 -8.205 1.00 0.00 C ATOM 185 C GLU A 15 -3.054 5.227 -8.011 1.00 0.00 C ATOM 186 O GLU A 15 -3.462 4.868 -6.906 1.00 0.00 O ATOM 187 CB GLU A 15 -0.744 5.160 -7.051 1.00 0.00 C ATOM 188 CG GLU A 15 0.718 4.979 -7.419 1.00 0.00 C ATOM 189 CD GLU A 15 0.970 3.701 -8.196 1.00 0.00 C ATOM 190 OE1 GLU A 15 0.076 3.290 -8.966 1.00 0.00 O ATOM 191 OE2 GLU A 15 2.059 3.113 -8.035 1.00 0.00 O ATOM 0 H GLU A 15 -1.156 7.581 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.239 5.254 -9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.816 5.857 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.144 4.207 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.048 5.832 -8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.319 4.972 -6.510 1.00 0.00 H new ATOM 198 N LYS A 16 -3.825 5.253 -9.093 1.00 0.00 N ATOM 199 CA LYS A 16 -5.225 4.850 -9.044 1.00 0.00 C ATOM 200 C LYS A 16 -5.399 3.584 -8.212 1.00 0.00 C ATOM 201 O LYS A 16 -6.327 3.479 -7.410 1.00 0.00 O ATOM 202 CB LYS A 16 -5.761 4.621 -10.460 1.00 0.00 C ATOM 203 CG LYS A 16 -7.272 4.733 -10.564 1.00 0.00 C ATOM 204 CD LYS A 16 -7.758 4.430 -11.971 1.00 0.00 C ATOM 205 CE LYS A 16 -7.968 2.938 -12.179 1.00 0.00 C ATOM 206 NZ LYS A 16 -8.573 2.643 -13.507 1.00 0.00 N ATOM 0 H LYS A 16 -3.504 5.549 -10.015 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.792 5.653 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.304 5.346 -11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.454 3.632 -10.800 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.738 4.043 -9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.584 5.738 -10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.693 4.959 -12.156 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.033 4.801 -12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.012 2.421 -12.093 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.613 2.549 -11.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.700 1.616 -13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.497 3.115 -13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.945 2.991 -14.260 1.00 0.00 H new ATOM 220 N SER A 17 -4.500 2.625 -8.408 1.00 0.00 N ATOM 221 CA SER A 17 -4.555 1.364 -7.677 1.00 0.00 C ATOM 222 C SER A 17 -3.156 0.790 -7.477 1.00 0.00 C ATOM 223 O SER A 17 -2.355 0.736 -8.410 1.00 0.00 O ATOM 224 CB SER A 17 -5.430 0.356 -8.424 1.00 0.00 C ATOM 225 OG SER A 17 -4.943 0.130 -9.735 1.00 0.00 O ATOM 0 H SER A 17 -3.725 2.697 -9.067 1.00 0.00 H new ATOM 0 HA SER A 17 -4.992 1.559 -6.698 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.455 -0.585 -7.875 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.455 0.725 -8.472 1.00 0.00 H new ATOM 0 HG SER A 17 -3.967 0.217 -9.741 1.00 0.00 H new ATOM 231 N VAL A 18 -2.868 0.362 -6.251 1.00 0.00 N ATOM 232 CA VAL A 18 -1.567 -0.209 -5.927 1.00 0.00 C ATOM 233 C VAL A 18 -1.588 -1.728 -6.048 1.00 0.00 C ATOM 234 O VAL A 18 -2.590 -2.372 -5.737 1.00 0.00 O ATOM 235 CB VAL A 18 -1.125 0.176 -4.502 1.00 0.00 C ATOM 236 CG1 VAL A 18 0.181 -0.517 -4.143 1.00 0.00 C ATOM 237 CG2 VAL A 18 -0.989 1.686 -4.376 1.00 0.00 C ATOM 0 H VAL A 18 -3.519 0.400 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.854 0.199 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.890 -0.156 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.478 -0.233 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.045 -1.597 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.957 -0.217 -4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.676 1.940 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.244 2.045 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.949 2.157 -4.588 1.00 0.00 H new ATOM 247 N SER A 19 -0.475 -2.296 -6.501 1.00 0.00 N ATOM 248 CA SER A 19 -0.366 -3.741 -6.667 1.00 0.00 C ATOM 249 C SER A 19 0.799 -4.295 -5.852 1.00 0.00 C ATOM 250 O SER A 19 1.959 -3.964 -6.101 1.00 0.00 O ATOM 251 CB SER A 19 -0.183 -4.094 -8.144 1.00 0.00 C ATOM 252 OG SER A 19 1.160 -3.900 -8.552 1.00 0.00 O ATOM 0 H SER A 19 0.364 -1.778 -6.760 1.00 0.00 H new ATOM 0 HA SER A 19 -1.289 -4.194 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.471 -5.132 -8.311 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.844 -3.478 -8.753 1.00 0.00 H new ATOM 0 HG SER A 19 1.690 -3.580 -7.792 1.00 0.00 H new ATOM 258 N VAL A 20 0.482 -5.140 -4.876 1.00 0.00 N ATOM 259 CA VAL A 20 1.500 -5.742 -4.025 1.00 0.00 C ATOM 260 C VAL A 20 1.193 -7.210 -3.754 1.00 0.00 C ATOM 261 O VAL A 20 0.232 -7.762 -4.288 1.00 0.00 O ATOM 262 CB VAL A 20 1.620 -4.998 -2.681 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.662 -3.894 -2.773 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.270 -4.435 -2.263 1.00 0.00 C ATOM 0 H VAL A 20 -0.473 -5.423 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 20 2.446 -5.665 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 20 1.944 -5.707 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.733 -3.380 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.630 -4.327 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.371 -3.183 -3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.372 -3.913 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.085 -3.739 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.446 -5.250 -2.154 1.00 0.00 H new ATOM 274 N ALA A 21 2.017 -7.838 -2.920 1.00 0.00 N ATOM 275 CA ALA A 21 1.832 -9.242 -2.576 1.00 0.00 C ATOM 276 C ALA A 21 1.805 -9.438 -1.064 1.00 0.00 C ATOM 277 O ALA A 21 2.480 -8.723 -0.324 1.00 0.00 O ATOM 278 CB ALA A 21 2.932 -10.087 -3.201 1.00 0.00 C ATOM 0 H ALA A 21 2.819 -7.396 -2.471 1.00 0.00 H new ATOM 0 HA ALA A 21 0.870 -9.565 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.782 -11.134 -2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.902 -9.979 -4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.901 -9.754 -2.830 1.00 0.00 H new ATOM 284 N ALA A 22 1.020 -10.411 -0.612 1.00 0.00 N ATOM 285 CA ALA A 22 0.907 -10.701 0.812 1.00 0.00 C ATOM 286 C ALA A 22 2.281 -10.755 1.472 1.00 0.00 C ATOM 287 O ALA A 22 2.974 -11.768 1.403 1.00 0.00 O ATOM 288 CB ALA A 22 0.165 -12.012 1.026 1.00 0.00 C ATOM 0 H ALA A 22 0.453 -11.011 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 22 0.340 -9.895 1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.088 -12.216 2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.835 -11.939 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.709 -12.822 0.540 1.00 0.00 H new ATOM 294 N GLY A 23 2.668 -9.655 2.112 1.00 0.00 N ATOM 295 CA GLY A 23 3.958 -9.599 2.775 1.00 0.00 C ATOM 296 C GLY A 23 4.903 -8.610 2.121 1.00 0.00 C ATOM 297 O GLY A 23 6.101 -8.611 2.398 1.00 0.00 O ATOM 0 H GLY A 23 2.112 -8.803 2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.815 -9.323 3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.411 -10.590 2.766 1.00 0.00 H new ATOM 301 N GLU A 24 4.361 -7.764 1.249 1.00 0.00 N ATOM 302 CA GLU A 24 5.166 -6.767 0.553 1.00 0.00 C ATOM 303 C GLU A 24 4.928 -5.375 1.131 1.00 0.00 C ATOM 304 O GLU A 24 4.212 -5.216 2.120 1.00 0.00 O ATOM 305 CB GLU A 24 4.842 -6.773 -0.943 1.00 0.00 C ATOM 306 CG GLU A 24 5.242 -8.059 -1.647 1.00 0.00 C ATOM 307 CD GLU A 24 6.713 -8.385 -1.477 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.550 -7.694 -2.094 1.00 0.00 O ATOM 309 OE2 GLU A 24 7.027 -9.331 -0.724 1.00 0.00 O ATOM 0 H GLU A 24 3.370 -7.750 1.009 1.00 0.00 H new ATOM 0 HA GLU A 24 6.216 -7.024 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.772 -6.614 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.350 -5.935 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.644 -8.883 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.013 -7.973 -2.709 1.00 0.00 H new ATOM 316 N SER A 25 5.534 -4.370 0.506 1.00 0.00 N ATOM 317 CA SER A 25 5.392 -2.992 0.960 1.00 0.00 C ATOM 318 C SER A 25 4.593 -2.168 -0.045 1.00 0.00 C ATOM 319 O SER A 25 5.058 -1.901 -1.153 1.00 0.00 O ATOM 320 CB SER A 25 6.768 -2.359 1.177 1.00 0.00 C ATOM 321 OG SER A 25 7.531 -2.379 -0.017 1.00 0.00 O ATOM 0 H SER A 25 6.128 -4.485 -0.316 1.00 0.00 H new ATOM 0 HA SER A 25 4.852 -3.002 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.649 -1.331 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.300 -2.897 1.962 1.00 0.00 H new ATOM 0 HG SER A 25 6.941 -2.226 -0.785 1.00 0.00 H new ATOM 327 N ALA A 26 3.389 -1.768 0.350 1.00 0.00 N ATOM 328 CA ALA A 26 2.526 -0.973 -0.515 1.00 0.00 C ATOM 329 C ALA A 26 3.012 0.470 -0.599 1.00 0.00 C ATOM 330 O ALA A 26 3.784 0.926 0.245 1.00 0.00 O ATOM 331 CB ALA A 26 1.090 -1.020 -0.015 1.00 0.00 C ATOM 0 H ALA A 26 2.989 -1.981 1.264 1.00 0.00 H new ATOM 0 HA ALA A 26 2.564 -1.401 -1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.457 -0.422 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.739 -2.052 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.044 -0.620 0.998 1.00 0.00 H new ATOM 337 N THR A 27 2.555 1.185 -1.622 1.00 0.00 N ATOM 338 CA THR A 27 2.945 2.576 -1.817 1.00 0.00 C ATOM 339 C THR A 27 1.729 3.454 -2.091 1.00 0.00 C ATOM 340 O THR A 27 1.279 3.571 -3.231 1.00 0.00 O ATOM 341 CB THR A 27 3.942 2.722 -2.982 1.00 0.00 C ATOM 342 OG1 THR A 27 5.037 1.816 -2.806 1.00 0.00 O ATOM 343 CG2 THR A 27 4.465 4.147 -3.071 1.00 0.00 C ATOM 0 H THR A 27 1.914 0.824 -2.329 1.00 0.00 H new ATOM 0 HA THR A 27 3.425 2.902 -0.895 1.00 0.00 H new ATOM 0 HB THR A 27 3.421 2.485 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.665 1.914 -3.552 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.167 4.226 -3.901 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.632 4.831 -3.234 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.971 4.408 -2.141 1.00 0.00 H new ATOM 351 N LEU A 28 1.202 4.070 -1.038 1.00 0.00 N ATOM 352 CA LEU A 28 0.037 4.940 -1.165 1.00 0.00 C ATOM 353 C LEU A 28 0.459 6.375 -1.464 1.00 0.00 C ATOM 354 O LEU A 28 0.646 7.180 -0.552 1.00 0.00 O ATOM 355 CB LEU A 28 -0.797 4.898 0.116 1.00 0.00 C ATOM 356 CG LEU A 28 -1.298 3.518 0.546 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.892 3.578 1.945 1.00 0.00 C ATOM 358 CD2 LEU A 28 -2.323 2.990 -0.448 1.00 0.00 C ATOM 0 H LEU A 28 1.562 3.983 -0.088 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.567 4.578 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.201 5.315 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.660 5.551 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.450 2.833 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.243 2.587 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.131 3.913 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.729 4.277 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.669 2.007 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.170 3.675 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.865 2.909 -1.434 1.00 0.00 H new ATOM 370 N ARG A 29 0.605 6.688 -2.747 1.00 0.00 N ATOM 371 CA ARG A 29 1.004 8.026 -3.167 1.00 0.00 C ATOM 372 C ARG A 29 -0.038 9.060 -2.748 1.00 0.00 C ATOM 373 O ARG A 29 -1.228 8.758 -2.663 1.00 0.00 O ATOM 374 CB ARG A 29 1.202 8.071 -4.683 1.00 0.00 C ATOM 375 CG ARG A 29 2.525 7.480 -5.142 1.00 0.00 C ATOM 376 CD ARG A 29 2.721 7.651 -6.640 1.00 0.00 C ATOM 377 NE ARG A 29 3.707 6.715 -7.173 1.00 0.00 N ATOM 378 CZ ARG A 29 5.018 6.856 -7.009 1.00 0.00 C ATOM 379 NH1 ARG A 29 5.497 7.889 -6.331 1.00 0.00 N ATOM 380 NH2 ARG A 29 5.852 5.962 -7.525 1.00 0.00 N ATOM 0 H ARG A 29 0.453 6.033 -3.514 1.00 0.00 H new ATOM 0 HA ARG A 29 1.948 8.267 -2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.386 7.531 -5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.140 9.106 -5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.345 7.962 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.559 6.421 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.769 7.504 -7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.040 8.672 -6.850 1.00 0.00 H new ATOM 0 HE ARG A 29 3.371 5.909 -7.700 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.859 8.578 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.504 7.995 -6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.487 5.166 -8.048 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.858 6.071 -7.399 1.00 0.00 H new ATOM 394 N CYS A 30 0.419 10.280 -2.488 1.00 0.00 N ATOM 395 CA CYS A 30 -0.472 11.359 -2.077 1.00 0.00 C ATOM 396 C CYS A 30 0.289 12.676 -1.955 1.00 0.00 C ATOM 397 O CYS A 30 1.358 12.733 -1.347 1.00 0.00 O ATOM 398 CB CYS A 30 -1.140 11.017 -0.743 1.00 0.00 C ATOM 399 SG CYS A 30 -2.358 12.251 -0.184 1.00 0.00 S ATOM 0 H CYS A 30 1.401 10.547 -2.555 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.240 11.473 -2.841 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.634 10.050 -0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.369 10.911 0.021 1.00 0.00 H new ATOM 404 N ALA A 31 -0.269 13.732 -2.536 1.00 0.00 N ATOM 405 CA ALA A 31 0.355 15.048 -2.491 1.00 0.00 C ATOM 406 C ALA A 31 -0.695 16.155 -2.514 1.00 0.00 C ATOM 407 O ALA A 31 -1.753 16.006 -3.125 1.00 0.00 O ATOM 408 CB ALA A 31 1.324 15.214 -3.652 1.00 0.00 C ATOM 0 H ALA A 31 -1.153 13.702 -3.044 1.00 0.00 H new ATOM 0 HA ALA A 31 0.909 15.127 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.782 16.202 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.100 14.451 -3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.785 15.108 -4.594 1.00 0.00 H new ATOM 414 N MET A 32 -0.395 17.262 -1.844 1.00 0.00 N ATOM 415 CA MET A 32 -1.314 18.394 -1.788 1.00 0.00 C ATOM 416 C MET A 32 -0.877 19.496 -2.749 1.00 0.00 C ATOM 417 O MET A 32 0.314 19.768 -2.898 1.00 0.00 O ATOM 418 CB MET A 32 -1.392 18.945 -0.363 1.00 0.00 C ATOM 419 CG MET A 32 -1.836 17.915 0.663 1.00 0.00 C ATOM 420 SD MET A 32 -3.412 17.147 0.239 1.00 0.00 S ATOM 421 CE MET A 32 -3.057 15.428 0.595 1.00 0.00 C ATOM 0 H MET A 32 0.476 17.400 -1.332 1.00 0.00 H new ATOM 0 HA MET A 32 -2.302 18.044 -2.089 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.414 19.332 -0.078 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.085 19.786 -0.345 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.072 17.143 0.751 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.920 18.393 1.639 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.976 14.919 0.886 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.644 14.950 -0.293 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.335 15.367 1.409 1.00 0.00 H new ATOM 431 N THR A 33 -1.850 20.127 -3.399 1.00 0.00 N ATOM 432 CA THR A 33 -1.566 21.198 -4.346 1.00 0.00 C ATOM 433 C THR A 33 -1.154 22.476 -3.623 1.00 0.00 C ATOM 434 O THR A 33 -0.764 23.458 -4.254 1.00 0.00 O ATOM 435 CB THR A 33 -2.786 21.497 -5.238 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.940 21.738 -4.425 1.00 0.00 O ATOM 437 CG2 THR A 33 -3.059 20.340 -6.186 1.00 0.00 C ATOM 0 H THR A 33 -2.841 19.915 -3.287 1.00 0.00 H new ATOM 0 HA THR A 33 -0.742 20.856 -4.972 1.00 0.00 H new ATOM 0 HB THR A 33 -2.567 22.386 -5.829 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.463 22.473 -4.809 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.925 20.574 -6.806 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.189 20.179 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.259 19.437 -5.610 1.00 0.00 H new ATOM 445 N SER A 34 -1.241 22.455 -2.297 1.00 0.00 N ATOM 446 CA SER A 34 -0.880 23.614 -1.489 1.00 0.00 C ATOM 447 C SER A 34 -0.761 23.233 -0.016 1.00 0.00 C ATOM 448 O SER A 34 -1.319 22.227 0.424 1.00 0.00 O ATOM 449 CB SER A 34 -1.919 24.724 -1.658 1.00 0.00 C ATOM 450 OG SER A 34 -1.346 25.998 -1.420 1.00 0.00 O ATOM 0 H SER A 34 -1.558 21.648 -1.759 1.00 0.00 H new ATOM 0 HA SER A 34 0.089 23.978 -1.832 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.332 24.690 -2.666 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.747 24.560 -0.969 1.00 0.00 H new ATOM 0 HG SER A 34 -2.029 26.691 -1.536 1.00 0.00 H new ATOM 456 N LEU A 35 -0.029 24.044 0.740 1.00 0.00 N ATOM 457 CA LEU A 35 0.164 23.793 2.164 1.00 0.00 C ATOM 458 C LEU A 35 -0.767 24.664 3.002 1.00 0.00 C ATOM 459 O LEU A 35 -0.858 24.501 4.219 1.00 0.00 O ATOM 460 CB LEU A 35 1.619 24.060 2.556 1.00 0.00 C ATOM 461 CG LEU A 35 2.674 23.232 1.821 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.968 24.019 1.682 1.00 0.00 C ATOM 463 CD2 LEU A 35 2.922 21.918 2.547 1.00 0.00 C ATOM 0 H LEU A 35 0.440 24.880 0.391 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.073 22.747 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.832 25.116 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.725 23.880 3.626 1.00 0.00 H new ATOM 0 HG LEU A 35 2.300 23.007 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.707 23.414 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.779 24.932 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.346 24.275 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.675 21.342 2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.274 22.122 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.994 21.347 2.594 1.00 0.00 H new ATOM 475 N ILE A 36 -1.458 25.587 2.342 1.00 0.00 N ATOM 476 CA ILE A 36 -2.385 26.480 3.025 1.00 0.00 C ATOM 477 C ILE A 36 -3.814 26.271 2.533 1.00 0.00 C ATOM 478 O ILE A 36 -4.073 26.150 1.336 1.00 0.00 O ATOM 479 CB ILE A 36 -1.996 27.957 2.824 1.00 0.00 C ATOM 480 CG1 ILE A 36 -0.530 28.176 3.204 1.00 0.00 C ATOM 481 CG2 ILE A 36 -2.903 28.860 3.645 1.00 0.00 C ATOM 482 CD1 ILE A 36 -0.174 27.638 4.572 1.00 0.00 C ATOM 0 H ILE A 36 -1.393 25.736 1.335 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.330 26.239 4.087 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.121 28.211 1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.106 27.699 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.311 29.243 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.616 29.900 3.492 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.937 28.719 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.807 28.608 4.701 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.880 27.828 4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.784 28.133 5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.361 26.565 4.601 1.00 0.00 H new ATOM 494 N PRO A 37 -4.765 26.230 3.478 1.00 0.00 N ATOM 495 CA PRO A 37 -4.468 26.373 4.907 1.00 0.00 C ATOM 496 C PRO A 37 -3.721 25.167 5.467 1.00 0.00 C ATOM 497 O PRO A 37 -3.955 24.032 5.052 1.00 0.00 O ATOM 498 CB PRO A 37 -5.854 26.488 5.547 1.00 0.00 C ATOM 499 CG PRO A 37 -6.769 25.797 4.597 1.00 0.00 C ATOM 500 CD PRO A 37 -6.203 26.040 3.225 1.00 0.00 C ATOM 0 HA PRO A 37 -3.819 27.226 5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.876 26.018 6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.141 27.530 5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.823 24.730 4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.783 26.190 4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.386 25.196 2.560 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.648 26.918 2.756 1.00 0.00 H new ATOM 508 N VAL A 38 -2.822 25.421 6.413 1.00 0.00 N ATOM 509 CA VAL A 38 -2.042 24.355 7.031 1.00 0.00 C ATOM 510 C VAL A 38 -2.932 23.184 7.432 1.00 0.00 C ATOM 511 O VAL A 38 -4.137 23.343 7.622 1.00 0.00 O ATOM 512 CB VAL A 38 -1.287 24.862 8.275 1.00 0.00 C ATOM 513 CG1 VAL A 38 -0.099 23.963 8.581 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.840 26.302 8.076 1.00 0.00 C ATOM 0 H VAL A 38 -2.616 26.355 6.768 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.319 24.019 6.288 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.964 24.831 9.128 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.422 24.336 9.462 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.450 22.948 8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.583 23.959 7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.308 26.644 8.964 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.178 26.361 7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.712 26.934 7.909 1.00 0.00 H new ATOM 524 N GLY A 39 -2.329 22.006 7.560 1.00 0.00 N ATOM 525 CA GLY A 39 -3.082 20.824 7.938 1.00 0.00 C ATOM 526 C GLY A 39 -2.280 19.549 7.772 1.00 0.00 C ATOM 527 O GLY A 39 -1.599 19.345 6.766 1.00 0.00 O ATOM 0 H GLY A 39 -1.333 21.849 7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.401 20.917 8.976 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.986 20.763 7.331 1.00 0.00 H new ATOM 531 N PRO A 40 -2.355 18.663 8.776 1.00 0.00 N ATOM 532 CA PRO A 40 -1.636 17.386 8.761 1.00 0.00 C ATOM 533 C PRO A 40 -2.203 16.414 7.732 1.00 0.00 C ATOM 534 O PRO A 40 -2.941 16.811 6.830 1.00 0.00 O ATOM 535 CB PRO A 40 -1.842 16.845 10.178 1.00 0.00 C ATOM 536 CG PRO A 40 -3.106 17.481 10.645 1.00 0.00 C ATOM 537 CD PRO A 40 -3.147 18.841 10.005 1.00 0.00 C ATOM 0 HA PRO A 40 -0.589 17.512 8.487 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.922 15.758 10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.005 17.104 10.826 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.972 16.887 10.354 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.124 17.561 11.732 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.168 19.150 9.784 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.716 19.604 10.654 1.00 0.00 H new ATOM 545 N ILE A 41 -1.853 15.140 7.873 1.00 0.00 N ATOM 546 CA ILE A 41 -2.330 14.111 6.956 1.00 0.00 C ATOM 547 C ILE A 41 -2.806 12.877 7.714 1.00 0.00 C ATOM 548 O ILE A 41 -2.211 12.484 8.717 1.00 0.00 O ATOM 549 CB ILE A 41 -1.233 13.696 5.958 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.668 14.926 5.246 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.785 12.700 4.949 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.699 15.684 4.439 1.00 0.00 C ATOM 0 H ILE A 41 -1.241 14.795 8.613 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.167 14.541 6.406 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.424 13.216 6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.233 15.597 5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.141 14.614 4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.998 12.416 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.143 11.813 5.472 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.609 13.156 4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.228 16.543 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.117 15.029 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.497 16.027 5.098 1.00 0.00 H new ATOM 564 N MET A 42 -3.882 12.268 7.226 1.00 0.00 N ATOM 565 CA MET A 42 -4.436 11.076 7.856 1.00 0.00 C ATOM 566 C MET A 42 -5.090 10.167 6.820 1.00 0.00 C ATOM 567 O MET A 42 -6.027 10.570 6.131 1.00 0.00 O ATOM 568 CB MET A 42 -5.458 11.466 8.926 1.00 0.00 C ATOM 569 CG MET A 42 -4.835 12.097 10.161 1.00 0.00 C ATOM 570 SD MET A 42 -6.027 12.344 11.491 1.00 0.00 S ATOM 571 CE MET A 42 -5.433 13.880 12.195 1.00 0.00 C ATOM 0 H MET A 42 -4.387 12.580 6.397 1.00 0.00 H new ATOM 0 HA MET A 42 -3.618 10.531 8.327 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.175 12.164 8.494 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.016 10.579 9.224 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.024 11.463 10.518 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.394 13.056 9.891 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.335 13.771 13.275 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.462 14.126 11.765 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.140 14.679 11.974 1.00 0.00 H new ATOM 581 N TRP A 43 -4.589 8.942 6.715 1.00 0.00 N ATOM 582 CA TRP A 43 -5.125 7.977 5.761 1.00 0.00 C ATOM 583 C TRP A 43 -6.267 7.177 6.379 1.00 0.00 C ATOM 584 O TRP A 43 -6.303 6.963 7.591 1.00 0.00 O ATOM 585 CB TRP A 43 -4.021 7.030 5.288 1.00 0.00 C ATOM 586 CG TRP A 43 -3.041 7.678 4.357 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.935 8.399 4.703 1.00 0.00 C ATOM 588 CD2 TRP A 43 -3.083 7.665 2.925 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.285 8.835 3.574 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.969 8.397 2.470 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.950 7.105 1.984 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.703 8.583 1.116 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.686 7.290 0.641 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.570 8.024 0.217 1.00 0.00 C ATOM 0 H TRP A 43 -3.813 8.593 7.278 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.514 8.528 4.905 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.486 6.645 6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.475 6.175 4.788 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.617 8.598 5.716 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.432 9.394 3.560 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.812 6.537 2.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.843 9.148 0.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.351 6.862 -0.095 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.391 8.151 -0.840 1.00 0.00 H new ATOM 605 N PHE A 44 -7.198 6.738 5.539 1.00 0.00 N ATOM 606 CA PHE A 44 -8.342 5.962 6.004 1.00 0.00 C ATOM 607 C PHE A 44 -8.868 5.053 4.898 1.00 0.00 C ATOM 608 O PHE A 44 -9.203 5.514 3.807 1.00 0.00 O ATOM 609 CB PHE A 44 -9.456 6.895 6.485 1.00 0.00 C ATOM 610 CG PHE A 44 -9.019 7.844 7.564 1.00 0.00 C ATOM 611 CD1 PHE A 44 -8.451 9.066 7.242 1.00 0.00 C ATOM 612 CD2 PHE A 44 -9.176 7.514 8.901 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.048 9.941 8.234 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.774 8.384 9.897 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.210 9.600 9.562 1.00 0.00 C ATOM 0 H PHE A 44 -7.183 6.906 4.533 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.013 5.340 6.836 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.830 7.469 5.637 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.287 6.295 6.855 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.322 9.338 6.205 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.618 6.565 9.168 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.607 10.891 7.970 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.901 8.114 10.935 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.896 10.283 10.338 1.00 0.00 H new ATOM 625 N ARG A 45 -8.937 3.757 5.188 1.00 0.00 N ATOM 626 CA ARG A 45 -9.419 2.782 4.218 1.00 0.00 C ATOM 627 C ARG A 45 -10.912 2.524 4.403 1.00 0.00 C ATOM 628 O ARG A 45 -11.346 2.060 5.457 1.00 0.00 O ATOM 629 CB ARG A 45 -8.644 1.470 4.352 1.00 0.00 C ATOM 630 CG ARG A 45 -9.201 0.342 3.500 1.00 0.00 C ATOM 631 CD ARG A 45 -8.289 -0.874 3.518 1.00 0.00 C ATOM 632 NE ARG A 45 -8.024 -1.338 4.877 1.00 0.00 N ATOM 633 CZ ARG A 45 -8.824 -2.166 5.540 1.00 0.00 C ATOM 634 NH1 ARG A 45 -9.933 -2.618 4.972 1.00 0.00 N ATOM 635 NH2 ARG A 45 -8.515 -2.544 6.774 1.00 0.00 N ATOM 0 H ARG A 45 -8.665 3.359 6.087 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.258 3.190 3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.604 1.643 4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.649 1.161 5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.189 0.062 3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.327 0.688 2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.746 -1.679 2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.347 -0.628 3.029 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.178 -1.008 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.174 -2.330 4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.545 -3.254 5.483 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.662 -2.199 7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.130 -3.180 7.282 1.00 0.00 H new ATOM 649 N GLY A 46 -11.693 2.828 3.371 1.00 0.00 N ATOM 650 CA GLY A 46 -13.128 2.623 3.441 1.00 0.00 C ATOM 651 C GLY A 46 -13.875 3.881 3.836 1.00 0.00 C ATOM 652 O GLY A 46 -14.751 3.846 4.699 1.00 0.00 O ATOM 0 H GLY A 46 -11.358 3.213 2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.490 2.278 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.344 1.834 4.162 1.00 0.00 H new ATOM 656 N ALA A 47 -13.527 4.997 3.203 1.00 0.00 N ATOM 657 CA ALA A 47 -14.171 6.272 3.493 1.00 0.00 C ATOM 658 C ALA A 47 -15.679 6.104 3.644 1.00 0.00 C ATOM 659 O ALA A 47 -16.299 5.310 2.937 1.00 0.00 O ATOM 660 CB ALA A 47 -13.859 7.282 2.398 1.00 0.00 C ATOM 0 H ALA A 47 -12.803 5.044 2.486 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.776 6.643 4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.346 8.230 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.781 7.433 2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.226 6.907 1.442 1.00 0.00 H new ATOM 690 N ARG A 51 -14.628 3.534 7.723 1.00 0.00 N ATOM 691 CA ARG A 51 -13.220 3.774 7.428 1.00 0.00 C ATOM 692 C ARG A 51 -12.363 3.580 8.675 1.00 0.00 C ATOM 693 O ARG A 51 -12.746 3.987 9.772 1.00 0.00 O ATOM 694 CB ARG A 51 -13.026 5.188 6.877 1.00 0.00 C ATOM 695 CG ARG A 51 -13.225 6.279 7.916 1.00 0.00 C ATOM 696 CD ARG A 51 -13.381 7.645 7.266 1.00 0.00 C ATOM 697 NE ARG A 51 -13.891 8.642 8.204 1.00 0.00 N ATOM 698 CZ ARG A 51 -14.038 9.927 7.902 1.00 0.00 C ATOM 699 NH1 ARG A 51 -13.717 10.369 6.694 1.00 0.00 N ATOM 700 NH2 ARG A 51 -14.508 10.773 8.809 1.00 0.00 N ATOM 0 HA ARG A 51 -12.904 3.052 6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.022 5.272 6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.725 5.348 6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.109 6.056 8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.374 6.294 8.597 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.417 7.973 6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.059 7.567 6.416 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.148 8.335 9.142 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.356 9.722 5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.831 11.356 6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.757 10.437 9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.621 11.760 8.576 1.00 0.00 H new ATOM 714 N GLU A 52 -11.202 2.957 8.498 1.00 0.00 N ATOM 715 CA GLU A 52 -10.292 2.709 9.610 1.00 0.00 C ATOM 716 C GLU A 52 -8.983 3.470 9.422 1.00 0.00 C ATOM 717 O GLU A 52 -8.308 3.324 8.401 1.00 0.00 O ATOM 718 CB GLU A 52 -10.009 1.211 9.743 1.00 0.00 C ATOM 719 CG GLU A 52 -9.160 0.856 10.952 1.00 0.00 C ATOM 720 CD GLU A 52 -9.971 0.772 12.230 1.00 0.00 C ATOM 721 OE1 GLU A 52 -11.054 1.390 12.288 1.00 0.00 O ATOM 722 OE2 GLU A 52 -9.522 0.088 13.173 1.00 0.00 O ATOM 0 H GLU A 52 -10.870 2.615 7.596 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.771 3.063 10.523 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.956 0.675 9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.505 0.864 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.666 -0.100 10.776 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.376 1.603 11.072 1.00 0.00 H new ATOM 729 N LEU A 53 -8.629 4.282 10.412 1.00 0.00 N ATOM 730 CA LEU A 53 -7.401 5.067 10.357 1.00 0.00 C ATOM 731 C LEU A 53 -6.206 4.185 10.010 1.00 0.00 C ATOM 732 O LEU A 53 -5.907 3.222 10.717 1.00 0.00 O ATOM 733 CB LEU A 53 -7.160 5.769 11.694 1.00 0.00 C ATOM 734 CG LEU A 53 -5.858 6.561 11.812 1.00 0.00 C ATOM 735 CD1 LEU A 53 -5.828 7.694 10.798 1.00 0.00 C ATOM 736 CD2 LEU A 53 -5.688 7.102 13.224 1.00 0.00 C ATOM 0 H LEU A 53 -9.176 4.414 11.263 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.514 5.818 9.575 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.992 6.447 11.880 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.178 5.018 12.484 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.027 5.889 11.600 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.894 8.246 10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.901 7.283 9.791 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.667 8.366 10.978 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.756 7.663 13.289 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.524 7.758 13.465 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.662 6.273 13.931 1.00 0.00 H new ATOM 748 N ILE A 54 -5.525 4.522 8.920 1.00 0.00 N ATOM 749 CA ILE A 54 -4.361 3.762 8.482 1.00 0.00 C ATOM 750 C ILE A 54 -3.070 4.385 9.002 1.00 0.00 C ATOM 751 O ILE A 54 -2.188 3.686 9.501 1.00 0.00 O ATOM 752 CB ILE A 54 -4.292 3.674 6.945 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.557 3.014 6.393 1.00 0.00 C ATOM 754 CG2 ILE A 54 -3.054 2.902 6.515 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.769 1.602 6.893 1.00 0.00 C ATOM 0 H ILE A 54 -5.759 5.316 8.324 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.468 2.758 8.891 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.226 4.684 6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.421 3.620 6.664 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.505 3.001 5.304 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.019 2.848 5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.162 3.410 6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.093 1.894 6.927 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.684 1.197 6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.923 0.981 6.599 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.853 1.610 7.980 1.00 0.00 H new ATOM 767 N TYR A 55 -2.968 5.704 8.885 1.00 0.00 N ATOM 768 CA TYR A 55 -1.785 6.423 9.344 1.00 0.00 C ATOM 769 C TYR A 55 -2.153 7.815 9.846 1.00 0.00 C ATOM 770 O TYR A 55 -3.165 8.386 9.440 1.00 0.00 O ATOM 771 CB TYR A 55 -0.759 6.531 8.214 1.00 0.00 C ATOM 772 CG TYR A 55 0.496 7.279 8.606 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.492 6.661 9.352 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.685 8.603 8.230 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.640 7.340 9.713 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.830 9.290 8.585 1.00 0.00 C ATOM 777 CZ TYR A 55 2.804 8.654 9.326 1.00 0.00 C ATOM 778 OH TYR A 55 3.945 9.335 9.683 1.00 0.00 O ATOM 0 H TYR A 55 -3.690 6.297 8.476 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.349 5.863 10.171 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.487 5.528 7.885 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.220 7.032 7.363 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.367 5.632 9.655 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.076 9.104 7.650 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.404 6.845 10.294 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.962 10.319 8.284 1.00 0.00 H new ATOM 0 HH TYR A 55 3.904 10.249 9.331 1.00 0.00 H new ATOM 788 N ASN A 56 -1.323 8.357 10.732 1.00 0.00 N ATOM 789 CA ASN A 56 -1.561 9.683 11.291 1.00 0.00 C ATOM 790 C ASN A 56 -0.247 10.430 11.494 1.00 0.00 C ATOM 791 O ASN A 56 0.672 9.925 12.139 1.00 0.00 O ATOM 792 CB ASN A 56 -2.309 9.572 12.621 1.00 0.00 C ATOM 793 CG ASN A 56 -3.154 10.797 12.912 1.00 0.00 C ATOM 794 OD1 ASN A 56 -4.274 10.687 13.412 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.620 11.972 12.601 1.00 0.00 N ATOM 0 H ASN A 56 -0.480 7.898 11.078 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.172 10.244 10.584 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.948 8.689 12.603 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.591 9.429 13.428 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.141 12.831 12.775 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.688 12.016 12.188 1.00 0.00 H new ATOM 802 N GLN A 57 -0.166 11.636 10.940 1.00 0.00 N ATOM 803 CA GLN A 57 1.036 12.453 11.061 1.00 0.00 C ATOM 804 C GLN A 57 1.090 13.143 12.420 1.00 0.00 C ATOM 805 O GLN A 57 2.128 13.156 13.081 1.00 0.00 O ATOM 806 CB GLN A 57 1.084 13.496 9.943 1.00 0.00 C ATOM 807 CG GLN A 57 2.449 14.142 9.772 1.00 0.00 C ATOM 808 CD GLN A 57 2.374 15.490 9.082 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.340 16.156 9.107 1.00 0.00 O ATOM 810 NE2 GLN A 57 3.474 15.899 8.461 1.00 0.00 N ATOM 0 H GLN A 57 -0.918 12.069 10.403 1.00 0.00 H new ATOM 0 HA GLN A 57 1.902 11.797 10.973 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.795 13.024 9.004 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.347 14.272 10.150 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.914 14.264 10.750 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.091 13.478 9.194 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.310 15.314 8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.483 16.798 7.979 1.00 0.00 H new ATOM 819 N LYS A 58 -0.035 13.718 12.831 1.00 0.00 N ATOM 820 CA LYS A 58 -0.118 14.411 14.111 1.00 0.00 C ATOM 821 C LYS A 58 0.546 13.595 15.215 1.00 0.00 C ATOM 822 O LYS A 58 1.563 14.003 15.776 1.00 0.00 O ATOM 823 CB LYS A 58 -1.579 14.685 14.473 1.00 0.00 C ATOM 824 CG LYS A 58 -1.754 15.379 15.813 1.00 0.00 C ATOM 825 CD LYS A 58 -3.021 16.217 15.845 1.00 0.00 C ATOM 826 CE LYS A 58 -2.820 17.559 15.159 1.00 0.00 C ATOM 827 NZ LYS A 58 -4.039 18.410 15.235 1.00 0.00 N ATOM 0 H LYS A 58 -0.903 13.718 12.295 1.00 0.00 H new ATOM 0 HA LYS A 58 0.410 15.360 14.017 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.029 15.300 13.693 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.124 13.741 14.488 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.789 14.634 16.608 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.891 16.015 16.010 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.830 15.674 15.355 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.326 16.378 16.879 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.983 18.082 15.622 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.555 17.396 14.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.808 19.376 14.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.777 18.016 14.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.385 18.434 16.215 1.00 0.00 H new ATOM 841 N GLU A 59 -0.035 12.439 15.521 1.00 0.00 N ATOM 842 CA GLU A 59 0.502 11.565 16.558 1.00 0.00 C ATOM 843 C GLU A 59 0.290 10.098 16.197 1.00 0.00 C ATOM 844 O GLU A 59 -0.495 9.773 15.308 1.00 0.00 O ATOM 845 CB GLU A 59 -0.156 11.871 17.905 1.00 0.00 C ATOM 846 CG GLU A 59 -1.666 11.706 17.896 1.00 0.00 C ATOM 847 CD GLU A 59 -2.287 11.941 19.259 1.00 0.00 C ATOM 848 OE1 GLU A 59 -2.346 10.982 20.057 1.00 0.00 O ATOM 849 OE2 GLU A 59 -2.713 13.083 19.529 1.00 0.00 O ATOM 0 H GLU A 59 -0.877 12.086 15.066 1.00 0.00 H new ATOM 0 HA GLU A 59 1.573 11.751 16.635 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.268 11.214 18.665 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.088 12.893 18.195 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.099 12.403 17.178 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.916 10.701 17.556 1.00 0.00 H new ATOM 856 N GLY A 60 0.997 9.214 16.896 1.00 0.00 N ATOM 857 CA GLY A 60 0.873 7.792 16.635 1.00 0.00 C ATOM 858 C GLY A 60 2.162 7.182 16.122 1.00 0.00 C ATOM 859 O GLY A 60 2.752 7.676 15.161 1.00 0.00 O ATOM 0 H GLY A 60 1.653 9.458 17.638 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.573 7.283 17.551 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.081 7.628 15.904 1.00 0.00 H new ATOM 863 N HIS A 61 2.602 6.105 16.765 1.00 0.00 N ATOM 864 CA HIS A 61 3.832 5.427 16.369 1.00 0.00 C ATOM 865 C HIS A 61 3.529 4.248 15.450 1.00 0.00 C ATOM 866 O HIS A 61 3.048 3.207 15.896 1.00 0.00 O ATOM 867 CB HIS A 61 4.593 4.944 17.604 1.00 0.00 C ATOM 868 CG HIS A 61 5.801 4.121 17.278 1.00 0.00 C ATOM 869 ND1 HIS A 61 5.794 2.742 17.281 1.00 0.00 N ATOM 870 CD2 HIS A 61 7.058 4.489 16.937 1.00 0.00 C ATOM 871 CE1 HIS A 61 6.996 2.297 16.957 1.00 0.00 C ATOM 872 NE2 HIS A 61 7.781 3.338 16.742 1.00 0.00 N ATOM 0 H HIS A 61 2.126 5.683 17.562 1.00 0.00 H new ATOM 0 HA HIS A 61 4.453 6.139 15.825 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.900 5.808 18.193 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.920 4.356 18.228 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.424 5.500 16.837 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.287 1.260 16.881 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.764 3.294 16.475 1.00 0.00 H new ATOM 881 N PHE A 62 3.815 4.419 14.163 1.00 0.00 N ATOM 882 CA PHE A 62 3.572 3.369 13.180 1.00 0.00 C ATOM 883 C PHE A 62 4.887 2.807 12.649 1.00 0.00 C ATOM 884 O PHE A 62 5.555 3.410 11.808 1.00 0.00 O ATOM 885 CB PHE A 62 2.730 3.910 12.022 1.00 0.00 C ATOM 886 CG PHE A 62 1.304 4.192 12.399 1.00 0.00 C ATOM 887 CD1 PHE A 62 0.951 5.401 12.976 1.00 0.00 C ATOM 888 CD2 PHE A 62 0.315 3.247 12.175 1.00 0.00 C ATOM 889 CE1 PHE A 62 -0.361 5.663 13.323 1.00 0.00 C ATOM 890 CE2 PHE A 62 -0.998 3.503 12.520 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.337 4.713 13.096 1.00 0.00 C ATOM 0 H PHE A 62 4.215 5.274 13.777 1.00 0.00 H new ATOM 0 HA PHE A 62 3.026 2.564 13.672 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.187 4.826 11.648 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.746 3.190 11.204 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.710 6.148 13.157 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.574 2.300 11.726 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.623 6.610 13.771 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.759 2.758 12.340 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.363 4.915 13.368 1.00 0.00 H new ATOM 901 N PRO A 63 5.269 1.623 13.150 1.00 0.00 N ATOM 902 CA PRO A 63 6.507 0.953 12.741 1.00 0.00 C ATOM 903 C PRO A 63 6.439 0.435 11.308 1.00 0.00 C ATOM 904 O PRO A 63 7.373 0.619 10.527 1.00 0.00 O ATOM 905 CB PRO A 63 6.622 -0.213 13.726 1.00 0.00 C ATOM 906 CG PRO A 63 5.222 -0.484 14.157 1.00 0.00 C ATOM 907 CD PRO A 63 4.523 0.848 14.155 1.00 0.00 C ATOM 0 HA PRO A 63 7.362 1.629 12.759 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.067 -1.088 13.253 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.254 0.047 14.575 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.733 -1.182 13.478 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.199 -0.935 15.149 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.471 0.749 13.887 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.559 1.322 15.136 1.00 0.00 H new ATOM 915 N ARG A 64 5.329 -0.213 10.970 1.00 0.00 N ATOM 916 CA ARG A 64 5.140 -0.758 9.631 1.00 0.00 C ATOM 917 C ARG A 64 5.097 0.357 8.591 1.00 0.00 C ATOM 918 O ARG A 64 5.670 0.234 7.508 1.00 0.00 O ATOM 919 CB ARG A 64 3.851 -1.579 9.569 1.00 0.00 C ATOM 920 CG ARG A 64 3.822 -2.743 10.545 1.00 0.00 C ATOM 921 CD ARG A 64 2.399 -3.093 10.953 1.00 0.00 C ATOM 922 NE ARG A 64 1.543 -3.339 9.796 1.00 0.00 N ATOM 923 CZ ARG A 64 0.386 -3.988 9.863 1.00 0.00 C ATOM 924 NH1 ARG A 64 -0.051 -4.453 11.026 1.00 0.00 N ATOM 925 NH2 ARG A 64 -0.338 -4.173 8.766 1.00 0.00 N ATOM 0 H ARG A 64 4.547 -0.373 11.605 1.00 0.00 H new ATOM 0 HA ARG A 64 5.987 -1.407 9.407 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.003 -0.924 9.772 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.723 -1.962 8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.295 -3.613 10.090 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.404 -2.491 11.431 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.412 -3.978 11.589 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.982 -2.280 11.546 1.00 0.00 H new ATOM 0 HE ARG A 64 1.850 -2.994 8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.502 -4.312 11.872 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.940 -4.951 11.075 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.006 -3.817 7.870 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.226 -4.672 8.819 1.00 0.00 H new ATOM 939 N VAL A 65 4.413 1.446 8.927 1.00 0.00 N ATOM 940 CA VAL A 65 4.295 2.584 8.023 1.00 0.00 C ATOM 941 C VAL A 65 5.621 3.326 7.896 1.00 0.00 C ATOM 942 O VAL A 65 6.178 3.800 8.887 1.00 0.00 O ATOM 943 CB VAL A 65 3.212 3.570 8.499 1.00 0.00 C ATOM 944 CG1 VAL A 65 3.086 4.735 7.530 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.878 2.857 8.664 1.00 0.00 C ATOM 0 H VAL A 65 3.932 1.564 9.819 1.00 0.00 H new ATOM 0 HA VAL A 65 4.010 2.185 7.049 1.00 0.00 H new ATOM 0 HB VAL A 65 3.509 3.967 9.470 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.316 5.421 7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.039 5.261 7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.813 4.360 6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.124 3.569 9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.573 2.430 7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.980 2.060 9.401 1.00 0.00 H new ATOM 955 N THR A 66 6.124 3.423 6.669 1.00 0.00 N ATOM 956 CA THR A 66 7.385 4.106 6.412 1.00 0.00 C ATOM 957 C THR A 66 7.207 5.225 5.393 1.00 0.00 C ATOM 958 O THR A 66 7.175 4.982 4.186 1.00 0.00 O ATOM 959 CB THR A 66 8.460 3.128 5.901 1.00 0.00 C ATOM 960 OG1 THR A 66 8.773 2.168 6.917 1.00 0.00 O ATOM 961 CG2 THR A 66 9.722 3.874 5.496 1.00 0.00 C ATOM 0 H THR A 66 5.677 3.037 5.838 1.00 0.00 H new ATOM 0 HA THR A 66 7.713 4.531 7.361 1.00 0.00 H new ATOM 0 HB THR A 66 8.064 2.614 5.025 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.456 1.549 6.583 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.466 3.162 5.139 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.487 4.583 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.119 4.412 6.357 1.00 0.00 H new ATOM 969 N THR A 67 7.092 6.455 5.885 1.00 0.00 N ATOM 970 CA THR A 67 6.916 7.612 5.017 1.00 0.00 C ATOM 971 C THR A 67 7.917 7.594 3.868 1.00 0.00 C ATOM 972 O THR A 67 9.122 7.729 4.079 1.00 0.00 O ATOM 973 CB THR A 67 7.073 8.930 5.799 1.00 0.00 C ATOM 974 OG1 THR A 67 8.349 8.966 6.447 1.00 0.00 O ATOM 975 CG2 THR A 67 5.968 9.080 6.835 1.00 0.00 C ATOM 0 H THR A 67 7.118 6.675 6.881 1.00 0.00 H new ATOM 0 HA THR A 67 5.904 7.555 4.615 1.00 0.00 H new ATOM 0 HB THR A 67 7.001 9.757 5.092 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.037 8.634 5.833 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.100 10.018 7.374 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.999 9.082 6.336 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.013 8.248 7.538 1.00 0.00 H new ATOM 983 N VAL A 68 7.410 7.428 2.650 1.00 0.00 N ATOM 984 CA VAL A 68 8.260 7.395 1.466 1.00 0.00 C ATOM 985 C VAL A 68 9.183 8.607 1.418 1.00 0.00 C ATOM 986 O VAL A 68 10.374 8.482 1.134 1.00 0.00 O ATOM 987 CB VAL A 68 7.422 7.350 0.174 1.00 0.00 C ATOM 988 CG1 VAL A 68 8.317 7.486 -1.048 1.00 0.00 C ATOM 989 CG2 VAL A 68 6.610 6.065 0.111 1.00 0.00 C ATOM 0 H VAL A 68 6.415 7.314 2.458 1.00 0.00 H new ATOM 0 HA VAL A 68 8.860 6.487 1.533 1.00 0.00 H new ATOM 0 HB VAL A 68 6.729 8.191 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.707 7.452 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.849 8.436 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.037 6.667 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.024 6.050 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.283 5.208 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.940 6.015 0.969 1.00 0.00 H new ATOM 999 N SER A 69 8.625 9.781 1.697 1.00 0.00 N ATOM 1000 CA SER A 69 9.398 11.017 1.683 1.00 0.00 C ATOM 1001 C SER A 69 9.423 11.658 3.067 1.00 0.00 C ATOM 1002 O SER A 69 8.553 11.399 3.898 1.00 0.00 O ATOM 1003 CB SER A 69 8.812 11.998 0.665 1.00 0.00 C ATOM 1004 OG SER A 69 9.375 11.797 -0.620 1.00 0.00 O ATOM 0 H SER A 69 7.641 9.902 1.935 1.00 0.00 H new ATOM 0 HA SER A 69 10.421 10.774 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.730 11.872 0.615 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.999 13.021 0.992 1.00 0.00 H new ATOM 0 HG SER A 69 8.983 12.435 -1.252 1.00 0.00 H new ATOM 1010 N GLU A 70 10.426 12.497 3.306 1.00 0.00 N ATOM 1011 CA GLU A 70 10.565 13.175 4.590 1.00 0.00 C ATOM 1012 C GLU A 70 9.466 14.217 4.777 1.00 0.00 C ATOM 1013 O GLU A 70 9.073 14.899 3.829 1.00 0.00 O ATOM 1014 CB GLU A 70 11.938 13.842 4.693 1.00 0.00 C ATOM 1015 CG GLU A 70 12.423 14.020 6.122 1.00 0.00 C ATOM 1016 CD GLU A 70 13.192 12.816 6.631 1.00 0.00 C ATOM 1017 OE1 GLU A 70 12.801 11.678 6.298 1.00 0.00 O ATOM 1018 OE2 GLU A 70 14.185 13.012 7.363 1.00 0.00 O ATOM 0 H GLU A 70 11.154 12.723 2.628 1.00 0.00 H new ATOM 0 HA GLU A 70 10.471 12.428 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.665 13.244 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.896 14.817 4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.059 14.903 6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.567 14.201 6.772 1.00 0.00 H new ATOM 1025 N LEU A 71 8.973 14.334 6.005 1.00 0.00 N ATOM 1026 CA LEU A 71 7.919 15.292 6.318 1.00 0.00 C ATOM 1027 C LEU A 71 8.436 16.389 7.243 1.00 0.00 C ATOM 1028 O LEU A 71 7.985 17.533 7.182 1.00 0.00 O ATOM 1029 CB LEU A 71 6.731 14.580 6.967 1.00 0.00 C ATOM 1030 CG LEU A 71 6.339 13.234 6.355 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.259 12.563 7.188 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.870 13.418 4.919 1.00 0.00 C ATOM 0 H LEU A 71 9.286 13.777 6.800 1.00 0.00 H new ATOM 0 HA LEU A 71 7.593 15.753 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.958 14.425 8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.867 15.243 6.921 1.00 0.00 H new ATOM 0 HG LEU A 71 7.218 12.589 6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.993 11.607 6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.630 12.397 8.199 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.378 13.204 7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.595 12.450 4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.005 14.080 4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.674 13.855 4.327 1.00 0.00 H new ATOM 1118 N ASN A 76 7.120 20.451 2.396 1.00 0.00 N ATOM 1119 CA ASN A 76 7.082 19.105 1.837 1.00 0.00 C ATOM 1120 C ASN A 76 5.663 18.729 1.420 1.00 0.00 C ATOM 1121 O ASN A 76 4.827 18.389 2.259 1.00 0.00 O ATOM 1122 CB ASN A 76 7.612 18.092 2.854 1.00 0.00 C ATOM 1123 CG ASN A 76 6.634 17.845 3.987 1.00 0.00 C ATOM 1124 OD1 ASN A 76 6.458 18.689 4.866 1.00 0.00 O ATOM 1125 ND2 ASN A 76 5.992 16.682 3.970 1.00 0.00 N ATOM 0 HA ASN A 76 7.718 19.088 0.952 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.823 17.150 2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.555 18.452 3.264 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.322 16.459 4.706 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.170 16.012 3.221 1.00 0.00 H new ATOM 1132 N LEU A 77 5.398 18.792 0.120 1.00 0.00 N ATOM 1133 CA LEU A 77 4.081 18.458 -0.410 1.00 0.00 C ATOM 1134 C LEU A 77 3.854 16.950 -0.392 1.00 0.00 C ATOM 1135 O LEU A 77 2.758 16.481 -0.083 1.00 0.00 O ATOM 1136 CB LEU A 77 3.933 18.991 -1.836 1.00 0.00 C ATOM 1137 CG LEU A 77 3.862 20.512 -1.980 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.729 20.904 -3.443 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.703 21.071 -1.168 1.00 0.00 C ATOM 0 H LEU A 77 6.078 19.071 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 77 3.331 18.928 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.774 18.629 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.030 18.562 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 77 4.788 20.938 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.680 21.990 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.592 20.536 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.820 20.467 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.668 22.154 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.768 20.638 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.842 20.821 -0.116 1.00 0.00 H new ATOM 1151 N ASP A 78 4.896 16.196 -0.724 1.00 0.00 N ATOM 1152 CA ASP A 78 4.811 14.740 -0.744 1.00 0.00 C ATOM 1153 C ASP A 78 4.305 14.207 0.593 1.00 0.00 C ATOM 1154 O ASP A 78 4.907 14.453 1.639 1.00 0.00 O ATOM 1155 CB ASP A 78 6.178 14.133 -1.065 1.00 0.00 C ATOM 1156 CG ASP A 78 6.077 12.694 -1.531 1.00 0.00 C ATOM 1157 OD1 ASP A 78 5.635 11.841 -0.732 1.00 0.00 O ATOM 1158 OD2 ASP A 78 6.440 12.419 -2.694 1.00 0.00 O ATOM 0 H ASP A 78 5.809 16.569 -0.983 1.00 0.00 H new ATOM 0 HA ASP A 78 4.103 14.452 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.665 14.729 -1.837 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.811 14.181 -0.179 1.00 0.00 H new ATOM 1163 N PHE A 79 3.195 13.477 0.552 1.00 0.00 N ATOM 1164 CA PHE A 79 2.607 12.912 1.760 1.00 0.00 C ATOM 1165 C PHE A 79 2.265 11.438 1.559 1.00 0.00 C ATOM 1166 O PHE A 79 1.290 10.935 2.118 1.00 0.00 O ATOM 1167 CB PHE A 79 1.350 13.690 2.153 1.00 0.00 C ATOM 1168 CG PHE A 79 1.641 15.040 2.744 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.314 15.152 3.950 1.00 0.00 C ATOM 1170 CD2 PHE A 79 1.242 16.196 2.094 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.583 16.393 4.496 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.508 17.440 2.635 1.00 0.00 C ATOM 1173 CZ PHE A 79 2.180 17.538 3.837 1.00 0.00 C ATOM 0 H PHE A 79 2.685 13.263 -0.305 1.00 0.00 H new ATOM 0 HA PHE A 79 3.340 12.991 2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.720 13.816 1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.779 13.103 2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.632 14.260 4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.717 16.125 1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.108 16.467 5.437 1.00 0.00 H new ATOM 0 HE2 PHE A 79 1.191 18.334 2.118 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.390 18.509 4.261 1.00 0.00 H new ATOM 1183 N SER A 80 3.073 10.753 0.757 1.00 0.00 N ATOM 1184 CA SER A 80 2.854 9.338 0.478 1.00 0.00 C ATOM 1185 C SER A 80 3.428 8.470 1.594 1.00 0.00 C ATOM 1186 O SER A 80 4.381 8.858 2.269 1.00 0.00 O ATOM 1187 CB SER A 80 3.489 8.956 -0.860 1.00 0.00 C ATOM 1188 OG SER A 80 4.895 9.133 -0.826 1.00 0.00 O ATOM 0 H SER A 80 3.885 11.154 0.289 1.00 0.00 H new ATOM 0 HA SER A 80 1.779 9.165 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.256 7.917 -1.094 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.062 9.566 -1.656 1.00 0.00 H new ATOM 0 HG SER A 80 5.104 10.090 -0.828 1.00 0.00 H new ATOM 1194 N ILE A 81 2.840 7.292 1.780 1.00 0.00 N ATOM 1195 CA ILE A 81 3.294 6.368 2.812 1.00 0.00 C ATOM 1196 C ILE A 81 3.474 4.962 2.249 1.00 0.00 C ATOM 1197 O ILE A 81 2.984 4.648 1.165 1.00 0.00 O ATOM 1198 CB ILE A 81 2.305 6.313 3.992 1.00 0.00 C ATOM 1199 CG1 ILE A 81 0.885 6.058 3.484 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.364 7.606 4.791 1.00 0.00 C ATOM 1201 CD1 ILE A 81 -0.024 5.435 4.521 1.00 0.00 C ATOM 0 H ILE A 81 2.049 6.956 1.230 1.00 0.00 H new ATOM 0 HA ILE A 81 4.254 6.740 3.170 1.00 0.00 H new ATOM 0 HB ILE A 81 2.589 5.490 4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.451 7.001 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.931 5.404 2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.660 7.553 5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.373 7.748 5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.102 8.445 4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.014 5.282 4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.387 4.476 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.100 6.098 5.383 1.00 0.00 H new ATOM 1213 N SER A 82 4.181 4.119 2.995 1.00 0.00 N ATOM 1214 CA SER A 82 4.428 2.746 2.570 1.00 0.00 C ATOM 1215 C SER A 82 4.155 1.767 3.708 1.00 0.00 C ATOM 1216 O SER A 82 4.813 1.808 4.748 1.00 0.00 O ATOM 1217 CB SER A 82 5.871 2.592 2.086 1.00 0.00 C ATOM 1218 OG SER A 82 6.752 2.364 3.173 1.00 0.00 O ATOM 0 H SER A 82 4.593 4.362 3.896 1.00 0.00 H new ATOM 0 HA SER A 82 3.749 2.519 1.748 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.935 1.763 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.176 3.490 1.549 1.00 0.00 H new ATOM 0 HG SER A 82 7.020 3.222 3.563 1.00 0.00 H new ATOM 1224 N ILE A 83 3.179 0.889 3.503 1.00 0.00 N ATOM 1225 CA ILE A 83 2.819 -0.101 4.510 1.00 0.00 C ATOM 1226 C ILE A 83 3.498 -1.438 4.235 1.00 0.00 C ATOM 1227 O ILE A 83 3.126 -2.156 3.307 1.00 0.00 O ATOM 1228 CB ILE A 83 1.295 -0.315 4.569 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.577 1.022 4.764 1.00 0.00 C ATOM 1230 CG2 ILE A 83 0.938 -1.282 5.688 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.923 0.934 4.591 1.00 0.00 C ATOM 0 H ILE A 83 2.624 0.843 2.649 1.00 0.00 H new ATOM 0 HA ILE A 83 3.161 0.287 5.470 1.00 0.00 H new ATOM 0 HB ILE A 83 0.968 -0.747 3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.798 1.401 5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.975 1.746 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.143 -1.423 5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.424 -2.241 5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.276 -0.876 6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.365 1.919 4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.153 0.585 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.333 0.235 5.320 1.00 0.00 H new ATOM 1243 N SER A 84 4.496 -1.767 5.050 1.00 0.00 N ATOM 1244 CA SER A 84 5.229 -3.018 4.894 1.00 0.00 C ATOM 1245 C SER A 84 4.440 -4.187 5.474 1.00 0.00 C ATOM 1246 O SER A 84 3.606 -4.008 6.361 1.00 0.00 O ATOM 1247 CB SER A 84 6.595 -2.921 5.576 1.00 0.00 C ATOM 1248 OG SER A 84 7.380 -4.071 5.310 1.00 0.00 O ATOM 0 H SER A 84 4.815 -1.185 5.824 1.00 0.00 H new ATOM 0 HA SER A 84 5.374 -3.195 3.828 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.118 -2.031 5.226 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.461 -2.809 6.652 1.00 0.00 H new ATOM 0 HG SER A 84 8.249 -3.984 5.755 1.00 0.00 H new ATOM 1254 N ASN A 85 4.710 -5.385 4.967 1.00 0.00 N ATOM 1255 CA ASN A 85 4.025 -6.585 5.434 1.00 0.00 C ATOM 1256 C ASN A 85 2.536 -6.524 5.107 1.00 0.00 C ATOM 1257 O ASN A 85 1.690 -6.755 5.971 1.00 0.00 O ATOM 1258 CB ASN A 85 4.220 -6.755 6.942 1.00 0.00 C ATOM 1259 CG ASN A 85 3.647 -8.061 7.456 1.00 0.00 C ATOM 1260 OD1 ASN A 85 2.917 -8.084 8.447 1.00 0.00 O ATOM 1261 ND2 ASN A 85 3.976 -9.157 6.782 1.00 0.00 N ATOM 0 H ASN A 85 5.398 -5.551 4.233 1.00 0.00 H new ATOM 0 HA ASN A 85 4.457 -7.443 4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.284 -6.712 7.175 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.745 -5.923 7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.620 -10.065 7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.584 -9.091 5.966 1.00 0.00 H new ATOM 1268 N ILE A 86 2.223 -6.211 3.853 1.00 0.00 N ATOM 1269 CA ILE A 86 0.837 -6.122 3.412 1.00 0.00 C ATOM 1270 C ILE A 86 0.110 -7.448 3.609 1.00 0.00 C ATOM 1271 O ILE A 86 0.722 -8.516 3.570 1.00 0.00 O ATOM 1272 CB ILE A 86 0.744 -5.713 1.930 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.055 -4.224 1.769 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.637 -6.034 1.378 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.031 -3.318 2.416 1.00 0.00 C ATOM 0 H ILE A 86 2.911 -6.015 3.126 1.00 0.00 H new ATOM 0 HA ILE A 86 0.360 -5.356 4.023 1.00 0.00 H new ATOM 0 HB ILE A 86 1.482 -6.282 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.035 -4.017 2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.118 -3.987 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.687 -5.739 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.823 -7.105 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.391 -5.488 1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.317 -2.277 2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.947 -3.496 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.016 -3.527 3.485 1.00 0.00 H new ATOM 1287 N THR A 87 -1.200 -7.373 3.818 1.00 0.00 N ATOM 1288 CA THR A 87 -2.012 -8.566 4.020 1.00 0.00 C ATOM 1289 C THR A 87 -3.246 -8.550 3.126 1.00 0.00 C ATOM 1290 O THR A 87 -3.759 -7.495 2.754 1.00 0.00 O ATOM 1291 CB THR A 87 -2.458 -8.701 5.488 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.088 -7.490 5.922 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.271 -9.010 6.388 1.00 0.00 C ATOM 0 H THR A 87 -1.722 -6.497 3.852 1.00 0.00 H new ATOM 0 HA THR A 87 -1.388 -9.420 3.758 1.00 0.00 H new ATOM 0 HB THR A 87 -3.169 -9.525 5.554 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.404 -6.813 6.107 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.611 -9.101 7.420 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.810 -9.947 6.074 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.540 -8.204 6.316 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.736 -9.747 2.771 1.00 0.00 N ATOM 1302 CA PRO A 88 -4.918 -9.897 1.916 1.00 0.00 C ATOM 1303 C PRO A 88 -6.201 -9.471 2.621 1.00 0.00 C ATOM 1304 O PRO A 88 -7.290 -9.566 2.057 1.00 0.00 O ATOM 1305 CB PRO A 88 -4.947 -11.397 1.612 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.232 -12.030 2.755 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.175 -11.047 3.177 1.00 0.00 C ATOM 0 HA PRO A 88 -4.861 -9.269 1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -5.970 -11.765 1.533 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.454 -11.619 0.665 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.918 -12.242 3.575 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.786 -12.980 2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.994 -11.089 4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.223 -11.245 2.685 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.064 -9.001 3.857 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.212 -8.558 4.637 1.00 0.00 C ATOM 1317 C ALA A 89 -7.188 -7.047 4.841 1.00 0.00 C ATOM 1318 O ALA A 89 -8.090 -6.480 5.457 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.245 -9.273 5.980 1.00 0.00 C ATOM 0 H ALA A 89 -5.169 -8.918 4.339 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.116 -8.809 4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.108 -8.932 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.319 -10.348 5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.332 -9.051 6.533 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.150 -6.402 4.320 1.00 0.00 N ATOM 1326 CA ASP A 90 -6.009 -4.955 4.444 1.00 0.00 C ATOM 1327 C ASP A 90 -6.411 -4.257 3.149 1.00 0.00 C ATOM 1328 O ASP A 90 -6.674 -3.055 3.136 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.569 -4.592 4.808 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.339 -4.569 6.307 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -5.242 -4.113 7.038 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.255 -5.006 6.748 1.00 0.00 O ATOM 0 H ASP A 90 -5.394 -6.857 3.808 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.673 -4.616 5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.889 -5.311 4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.327 -3.614 4.391 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.455 -5.019 2.060 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.825 -4.473 0.761 1.00 0.00 C ATOM 1339 C ALA A 91 -8.130 -3.688 0.846 1.00 0.00 C ATOM 1340 O ALA A 91 -8.799 -3.689 1.878 1.00 0.00 O ATOM 1341 CB ALA A 91 -6.946 -5.590 -0.266 1.00 0.00 C ATOM 0 H ALA A 91 -6.239 -6.016 2.053 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.039 -3.787 0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.223 -5.168 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.990 -6.106 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.712 -6.297 0.054 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.484 -3.017 -0.246 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.707 -2.236 -0.272 1.00 0.00 C ATOM 1349 C GLY A 92 -9.545 -0.931 -1.025 1.00 0.00 C ATOM 1350 O GLY A 92 -9.404 -0.923 -2.249 1.00 0.00 O ATOM 0 H GLY A 92 -7.946 -3.000 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.500 -2.823 -0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.022 -2.026 0.750 1.00 0.00 H new ATOM 1354 N THR A 93 -9.566 0.179 -0.293 1.00 0.00 N ATOM 1355 CA THR A 93 -9.423 1.497 -0.899 1.00 0.00 C ATOM 1356 C THR A 93 -8.948 2.523 0.123 1.00 0.00 C ATOM 1357 O THR A 93 -9.709 2.942 0.996 1.00 0.00 O ATOM 1358 CB THR A 93 -10.750 1.979 -1.515 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.487 0.863 -2.027 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.496 2.980 -2.632 1.00 0.00 C ATOM 0 H THR A 93 -9.681 0.191 0.720 1.00 0.00 H new ATOM 0 HA THR A 93 -8.678 1.403 -1.689 1.00 0.00 H new ATOM 0 HB THR A 93 -11.330 2.469 -0.733 1.00 0.00 H new ATOM 0 HG1 THR A 93 -12.330 1.178 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.448 3.306 -3.052 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.961 3.842 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.897 2.510 -3.412 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.687 2.925 0.008 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.111 3.902 0.924 1.00 0.00 C ATOM 1370 C TYR A 94 -7.320 5.323 0.408 1.00 0.00 C ATOM 1371 O TYR A 94 -6.730 5.724 -0.596 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.617 3.633 1.117 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.321 2.295 1.755 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.616 1.107 1.096 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.747 2.217 3.018 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.348 -0.117 1.676 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.474 0.997 3.605 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.777 -0.168 2.930 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.507 -1.385 3.512 1.00 0.00 O ATOM 0 H TYR A 94 -7.045 2.590 -0.710 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.618 3.805 1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.119 3.682 0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.191 4.423 1.735 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.063 1.142 0.113 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.510 3.126 3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.584 -1.030 1.150 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.026 0.955 4.587 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.283 -1.975 3.413 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.163 6.079 1.102 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.453 7.454 0.715 1.00 0.00 C ATOM 1391 C TYR A 95 -7.604 8.436 1.516 1.00 0.00 C ATOM 1392 O TYR A 95 -7.742 8.544 2.735 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.937 7.762 0.918 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.859 6.770 0.244 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.145 5.545 0.834 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.444 7.059 -0.983 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.986 4.637 0.221 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.287 6.157 -1.602 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.555 4.947 -0.997 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.394 4.045 -1.610 1.00 0.00 O ATOM 0 H TYR A 95 -8.658 5.762 1.936 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.207 7.566 -0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.153 7.779 1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.148 8.760 0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.702 5.299 1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.236 8.005 -1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.197 3.689 0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.734 6.398 -2.555 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.710 4.418 -2.459 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.726 9.153 0.822 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.853 10.127 1.466 1.00 0.00 C ATOM 1412 C CYS A 96 -6.637 11.371 1.877 1.00 0.00 C ATOM 1413 O CYS A 96 -6.931 12.233 1.050 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.710 10.518 0.528 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.330 11.373 1.354 1.00 0.00 S ATOM 0 H CYS A 96 -6.600 9.077 -0.187 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.437 9.668 2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.329 9.619 0.043 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.104 11.162 -0.258 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.971 11.456 3.161 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.719 12.594 3.682 1.00 0.00 C ATOM 1422 C VAL A 97 -6.780 13.691 4.171 1.00 0.00 C ATOM 1423 O VAL A 97 -5.919 13.455 5.019 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.645 12.174 4.839 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.276 13.396 5.489 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.715 11.213 4.342 1.00 0.00 C ATOM 0 H VAL A 97 -6.735 10.751 3.859 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.325 12.977 2.861 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.047 11.660 5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.927 13.079 6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.493 14.045 5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.861 13.941 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.361 10.926 5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.311 11.700 3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.241 10.324 3.927 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.951 14.892 3.630 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.121 16.029 4.011 1.00 0.00 C ATOM 1438 C LYS A 98 -6.788 16.845 5.113 1.00 0.00 C ATOM 1439 O LYS A 98 -7.649 17.682 4.845 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.850 16.919 2.796 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.392 18.321 3.159 1.00 0.00 C ATOM 1442 CD LYS A 98 -4.188 18.292 4.084 1.00 0.00 C ATOM 1443 CE LYS A 98 -4.024 19.610 4.827 1.00 0.00 C ATOM 1444 NZ LYS A 98 -3.173 20.570 4.072 1.00 0.00 N ATOM 0 H LYS A 98 -7.658 15.104 2.926 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.174 15.644 4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.090 16.447 2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.757 16.986 2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.141 18.869 2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.209 18.858 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.299 17.480 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.288 18.085 3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.005 20.053 5.001 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.580 19.423 5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.358 20.845 4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.836 20.121 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.730 21.416 3.835 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.383 16.596 6.354 1.00 0.00 N ATOM 1459 CA PHE A 99 -6.942 17.308 7.498 1.00 0.00 C ATOM 1460 C PHE A 99 -6.380 18.724 7.583 1.00 0.00 C ATOM 1461 O PHE A 99 -5.183 18.941 7.397 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.644 16.550 8.793 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.712 15.564 9.170 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -7.768 14.318 8.567 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.661 15.884 10.128 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.749 13.408 8.912 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.645 14.978 10.477 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.690 13.739 9.867 1.00 0.00 C ATOM 0 H PHE A 99 -5.670 15.907 6.593 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.022 17.371 7.363 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.696 16.023 8.686 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.520 17.267 9.604 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.036 14.055 7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.631 16.852 10.607 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.780 12.439 8.435 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.378 15.238 11.226 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.460 13.031 10.137 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.254 19.685 7.866 1.00 0.00 N ATOM 1479 CA ARG A 100 -6.847 21.081 7.974 1.00 0.00 C ATOM 1480 C ARG A 100 -6.645 21.476 9.434 1.00 0.00 C ATOM 1481 O ARG A 100 -7.431 21.103 10.305 1.00 0.00 O ATOM 1482 CB ARG A 100 -7.894 21.991 7.329 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.112 22.235 8.204 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.168 23.051 7.475 1.00 0.00 C ATOM 1485 NE ARG A 100 -11.063 23.740 8.401 1.00 0.00 N ATOM 1486 CZ ARG A 100 -12.029 24.565 8.012 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -12.224 24.801 6.722 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -12.803 25.155 8.914 1.00 0.00 N ATOM 0 H ARG A 100 -8.248 19.522 8.025 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.899 21.199 7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.432 22.949 7.089 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.217 21.548 6.387 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.537 21.280 8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.810 22.757 9.112 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.680 23.782 6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.751 22.395 6.828 1.00 0.00 H new ATOM 0 HE ARG A 100 -10.940 23.579 9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -11.632 24.349 6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -12.966 25.435 6.426 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.657 24.975 9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -13.544 25.788 8.614 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.585 22.233 9.695 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.278 22.680 11.048 1.00 0.00 C ATOM 1504 C LYS A 101 -6.457 23.435 11.653 1.00 0.00 C ATOM 1505 O LYS A 101 -6.803 24.527 11.205 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.036 23.574 11.043 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.234 23.510 12.331 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.077 24.495 12.318 1.00 0.00 C ATOM 1509 CE LYS A 101 -1.115 24.240 13.468 1.00 0.00 C ATOM 1510 NZ LYS A 101 -1.735 24.542 14.788 1.00 0.00 N ATOM 0 H LYS A 101 -4.923 22.550 8.986 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.082 21.798 11.658 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.394 23.285 10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.342 24.605 10.866 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.886 23.725 13.178 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.851 22.499 12.472 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.543 24.418 11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.463 25.512 12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.793 23.199 13.448 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.223 24.852 13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.047 24.355 15.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.019 25.542 14.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.572 23.940 14.924 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.071 22.845 12.674 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.204 23.477 13.324 1.00 0.00 C ATOM 1526 C GLY A 102 -8.171 23.320 14.831 1.00 0.00 C ATOM 1527 O GLY A 102 -7.184 22.842 15.390 1.00 0.00 O ATOM 0 H GLY A 102 -6.804 21.941 13.063 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.218 24.538 13.073 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.127 23.046 12.937 1.00 0.00 H new ATOM 1531 N SER A 103 -9.251 23.724 15.492 1.00 0.00 N ATOM 1532 CA SER A 103 -9.339 23.631 16.944 1.00 0.00 C ATOM 1533 C SER A 103 -10.749 23.245 17.379 1.00 0.00 C ATOM 1534 O SER A 103 -11.741 23.591 16.738 1.00 0.00 O ATOM 1535 CB SER A 103 -8.941 24.961 17.587 1.00 0.00 C ATOM 1536 OG SER A 103 -9.567 25.126 18.847 1.00 0.00 O ATOM 0 H SER A 103 -10.078 24.119 15.044 1.00 0.00 H new ATOM 0 HA SER A 103 -8.650 22.855 17.276 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.858 25.001 17.707 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.219 25.784 16.929 1.00 0.00 H new ATOM 0 HG SER A 103 -9.295 25.983 19.238 1.00 0.00 H new ATOM 1542 N PRO A 104 -10.842 22.509 18.497 1.00 0.00 N ATOM 1543 CA PRO A 104 -9.668 22.090 19.268 1.00 0.00 C ATOM 1544 C PRO A 104 -8.833 21.046 18.533 1.00 0.00 C ATOM 1545 O PRO A 104 -7.817 20.577 19.046 1.00 0.00 O ATOM 1546 CB PRO A 104 -10.274 21.490 20.539 1.00 0.00 C ATOM 1547 CG PRO A 104 -11.639 21.048 20.136 1.00 0.00 C ATOM 1548 CD PRO A 104 -12.100 22.028 19.093 1.00 0.00 C ATOM 0 HA PRO A 104 -8.986 22.920 19.454 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.679 20.653 20.904 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.317 22.225 21.342 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -11.619 20.034 19.737 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.315 21.041 20.991 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -12.741 21.553 18.350 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -12.674 22.844 19.533 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.267 20.689 17.330 1.00 0.00 N ATOM 1557 CA ASP A 105 -8.559 19.702 16.523 1.00 0.00 C ATOM 1558 C ASP A 105 -8.724 19.996 15.035 1.00 0.00 C ATOM 1559 O ASP A 105 -9.489 20.880 14.649 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.068 18.295 16.837 1.00 0.00 C ATOM 1561 CG ASP A 105 -8.693 17.842 18.234 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -9.359 18.277 19.197 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -7.734 17.052 18.365 1.00 0.00 O ATOM 0 H ASP A 105 -10.106 21.068 16.891 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.499 19.760 16.771 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.152 18.272 16.730 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.660 17.593 16.109 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.002 19.251 14.206 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.069 19.431 12.761 1.00 0.00 C ATOM 1570 C ASP A 106 -9.474 19.142 12.241 1.00 0.00 C ATOM 1571 O ASP A 106 -10.381 18.834 13.014 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.057 18.520 12.064 1.00 0.00 C ATOM 1573 CG ASP A 106 -6.986 17.144 12.696 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -8.037 16.474 12.780 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -5.879 16.736 13.106 1.00 0.00 O ATOM 0 H ASP A 106 -7.363 18.516 14.510 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.825 20.470 12.538 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.326 18.420 11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.071 18.984 12.098 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.646 19.246 10.927 1.00 0.00 N ATOM 1581 CA VAL A 107 -10.940 18.995 10.304 1.00 0.00 C ATOM 1582 C VAL A 107 -10.774 18.508 8.869 1.00 0.00 C ATOM 1583 O VAL A 107 -9.952 19.031 8.117 1.00 0.00 O ATOM 1584 CB VAL A 107 -11.818 20.261 10.307 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.026 20.075 9.401 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.252 20.605 11.724 1.00 0.00 C ATOM 0 H VAL A 107 -8.906 19.502 10.274 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.430 18.220 10.893 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.228 21.092 9.920 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.635 20.979 9.416 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.690 19.880 8.382 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.620 19.232 9.755 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.871 21.502 11.707 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.825 19.776 12.140 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.371 20.784 12.341 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.561 17.504 8.496 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.501 16.947 7.150 1.00 0.00 C ATOM 1598 C GLU A 108 -11.754 18.026 6.101 1.00 0.00 C ATOM 1599 O GLU A 108 -12.831 18.621 6.055 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.524 15.819 6.994 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.512 15.172 5.619 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.100 13.775 5.627 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -12.340 12.814 5.869 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -14.319 13.642 5.392 1.00 0.00 O ATOM 0 H GLU A 108 -12.247 17.060 9.106 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.500 16.544 6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.328 15.056 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.521 16.214 7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.074 15.795 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.487 15.129 5.251 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.754 18.274 5.262 1.00 0.00 N ATOM 1612 CA PHE A 109 -10.867 19.282 4.215 1.00 0.00 C ATOM 1613 C PHE A 109 -11.007 18.629 2.843 1.00 0.00 C ATOM 1614 O PHE A 109 -12.004 18.825 2.148 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.645 20.203 4.231 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.722 21.320 3.229 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -9.750 21.048 1.871 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.766 22.640 3.646 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -9.822 22.073 0.946 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.838 23.669 2.725 1.00 0.00 C ATOM 1621 CZ PHE A 109 -9.865 23.385 1.374 1.00 0.00 C ATOM 0 H PHE A 109 -9.856 17.791 5.287 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.762 19.873 4.410 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.533 20.628 5.229 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.751 19.611 4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -9.715 20.024 1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -9.744 22.868 4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -9.845 21.848 -0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -9.873 24.694 3.062 1.00 0.00 H new ATOM 0 HZ PHE A 109 -9.920 24.188 0.653 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.000 17.852 2.459 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.009 17.168 1.171 1.00 0.00 C ATOM 1633 C LYS A 110 -9.893 15.658 1.356 1.00 0.00 C ATOM 1634 O LYS A 110 -9.460 15.184 2.406 1.00 0.00 O ATOM 1635 CB LYS A 110 -8.863 17.675 0.293 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.172 17.636 -1.193 1.00 0.00 C ATOM 1637 CD LYS A 110 -10.254 18.637 -1.563 1.00 0.00 C ATOM 1638 CE LYS A 110 -9.659 19.974 -1.978 1.00 0.00 C ATOM 1639 NZ LYS A 110 -10.709 20.941 -2.401 1.00 0.00 N ATOM 0 H LYS A 110 -9.167 17.680 3.022 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.958 17.384 0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.623 18.699 0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.975 17.074 0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.266 17.851 -1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.492 16.632 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.857 18.237 -2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -10.922 18.783 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.093 20.393 -1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.956 19.820 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.263 21.839 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.233 20.552 -3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.366 21.108 -1.612 1.00 0.00 H new ATOM 1653 N SER A 111 -10.281 14.909 0.329 1.00 0.00 N ATOM 1654 CA SER A 111 -10.223 13.453 0.379 1.00 0.00 C ATOM 1655 C SER A 111 -9.800 12.879 -0.970 1.00 0.00 C ATOM 1656 O SER A 111 -10.431 13.141 -1.993 1.00 0.00 O ATOM 1657 CB SER A 111 -11.582 12.881 0.787 1.00 0.00 C ATOM 1658 OG SER A 111 -11.619 11.476 0.607 1.00 0.00 O ATOM 0 H SER A 111 -10.639 15.287 -0.548 1.00 0.00 H new ATOM 0 HA SER A 111 -9.479 13.169 1.124 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.783 13.122 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.369 13.347 0.195 1.00 0.00 H new ATOM 0 HG SER A 111 -12.497 11.135 0.876 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.727 12.094 -0.962 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.238 11.495 -2.189 1.00 0.00 C ATOM 1666 C GLY A 112 -9.253 10.568 -2.827 1.00 0.00 C ATOM 1667 O GLY A 112 -9.963 9.842 -2.133 1.00 0.00 O ATOM 0 H GLY A 112 -8.188 11.863 -0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.976 12.283 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.324 10.939 -1.979 1.00 0.00 H new ATOM 1671 N ALA A 113 -9.324 10.594 -4.154 1.00 0.00 N ATOM 1672 CA ALA A 113 -10.260 9.750 -4.886 1.00 0.00 C ATOM 1673 C ALA A 113 -10.364 8.367 -4.251 1.00 0.00 C ATOM 1674 O ALA A 113 -11.443 7.780 -4.192 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.838 9.633 -6.343 1.00 0.00 C ATOM 0 H ALA A 113 -8.744 11.191 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.244 10.217 -4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.546 9.000 -6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.822 10.623 -6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.843 9.192 -6.399 1.00 0.00 H new ATOM 1681 N GLY A 114 -9.233 7.852 -3.777 1.00 0.00 N ATOM 1682 CA GLY A 114 -9.219 6.542 -3.153 1.00 0.00 C ATOM 1683 C GLY A 114 -8.360 5.548 -3.910 1.00 0.00 C ATOM 1684 O GLY A 114 -8.739 5.080 -4.985 1.00 0.00 O ATOM 0 H GLY A 114 -8.327 8.319 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.849 6.633 -2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.239 6.162 -3.090 1.00 0.00 H new ATOM 1688 N THR A 115 -7.198 5.226 -3.351 1.00 0.00 N ATOM 1689 CA THR A 115 -6.281 4.285 -3.981 1.00 0.00 C ATOM 1690 C THR A 115 -6.648 2.846 -3.637 1.00 0.00 C ATOM 1691 O THR A 115 -6.541 2.428 -2.484 1.00 0.00 O ATOM 1692 CB THR A 115 -4.825 4.547 -3.554 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.389 5.816 -4.055 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.904 3.450 -4.067 1.00 0.00 C ATOM 0 H THR A 115 -6.870 5.604 -2.462 1.00 0.00 H new ATOM 0 HA THR A 115 -6.368 4.432 -5.057 1.00 0.00 H new ATOM 0 HB THR A 115 -4.785 4.553 -2.465 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.053 5.709 -4.969 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.881 3.657 -3.753 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.221 2.489 -3.661 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.949 3.416 -5.156 1.00 0.00 H new ATOM 1702 N GLU A 116 -7.081 2.093 -4.643 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.464 0.700 -4.445 1.00 0.00 C ATOM 1704 C GLU A 116 -6.233 -0.200 -4.389 1.00 0.00 C ATOM 1705 O GLU A 116 -5.391 -0.177 -5.288 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.395 0.239 -5.568 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.733 -1.242 -5.509 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.701 -1.663 -6.598 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -10.649 -0.898 -6.876 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -9.511 -2.756 -7.171 1.00 0.00 O ATOM 0 H GLU A 116 -7.175 2.424 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.990 0.627 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.319 0.816 -5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.929 0.459 -6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.816 -1.824 -5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.164 -1.474 -4.535 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.134 -0.992 -3.327 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.005 -1.900 -3.152 1.00 0.00 C ATOM 1719 C LEU A 117 -5.336 -3.289 -3.687 1.00 0.00 C ATOM 1720 O LEU A 117 -6.412 -3.827 -3.424 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.621 -1.989 -1.674 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.330 -2.745 -1.360 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.122 -1.974 -1.872 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.209 -2.997 0.135 1.00 0.00 C ATOM 0 H LEU A 117 -6.821 -1.024 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.161 -1.504 -3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.530 -0.976 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.439 -2.467 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.363 -3.708 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.212 -2.527 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.203 -1.846 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.085 -0.996 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.284 -3.536 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.199 -2.045 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.058 -3.591 0.474 1.00 0.00 H new ATOM 1736 N SER A 118 -4.404 -3.866 -4.439 1.00 0.00 N ATOM 1737 CA SER A 118 -4.597 -5.192 -5.013 1.00 0.00 C ATOM 1738 C SER A 118 -3.633 -6.198 -4.392 1.00 0.00 C ATOM 1739 O SER A 118 -2.651 -6.601 -5.016 1.00 0.00 O ATOM 1740 CB SER A 118 -4.400 -5.149 -6.529 1.00 0.00 C ATOM 1741 OG SER A 118 -4.790 -6.372 -7.130 1.00 0.00 O ATOM 0 H SER A 118 -3.507 -3.435 -4.665 1.00 0.00 H new ATOM 0 HA SER A 118 -5.617 -5.510 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 118 -4.983 -4.331 -6.951 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.354 -4.946 -6.757 1.00 0.00 H new ATOM 0 HG SER A 118 -4.656 -6.318 -8.099 1.00 0.00 H new ATOM 1747 N VAL A 119 -3.920 -6.601 -3.159 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.081 -7.561 -2.452 1.00 0.00 C ATOM 1749 C VAL A 119 -3.065 -8.908 -3.167 1.00 0.00 C ATOM 1750 O VAL A 119 -4.090 -9.583 -3.261 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.559 -7.766 -1.003 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -2.626 -8.711 -0.261 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -3.663 -6.431 -0.282 1.00 0.00 C ATOM 0 H VAL A 119 -4.728 -6.277 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.072 -7.149 -2.438 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.551 -8.218 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.980 -8.844 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.608 -9.676 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.620 -8.291 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.002 -6.595 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.686 -5.948 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.376 -5.791 -0.802 1.00 0.00 H new ATOM 1763 N ARG A 120 -1.896 -9.293 -3.667 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.747 -10.560 -4.374 1.00 0.00 C ATOM 1765 C ARG A 120 -1.351 -11.676 -3.412 1.00 0.00 C ATOM 1766 O ARG A 120 -0.335 -11.583 -2.724 1.00 0.00 O ATOM 1767 CB ARG A 120 -0.699 -10.430 -5.481 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.228 -9.773 -6.746 1.00 0.00 C ATOM 1769 CD ARG A 120 -0.311 -10.029 -7.931 1.00 0.00 C ATOM 1770 NE ARG A 120 -0.925 -9.629 -9.194 1.00 0.00 N ATOM 1771 CZ ARG A 120 -0.415 -9.921 -10.385 1.00 0.00 C ATOM 1772 NH1 ARG A 120 0.713 -10.614 -10.475 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -1.032 -9.522 -11.490 1.00 0.00 N ATOM 0 H ARG A 120 -1.038 -8.746 -3.596 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.708 -10.814 -4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 120 0.144 -9.850 -5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.319 -11.421 -5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.225 -10.155 -6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -1.327 -8.699 -6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 120 0.622 -9.483 -7.792 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -0.057 -11.088 -7.971 1.00 0.00 H new ATOM 0 HE ARG A 120 -1.794 -9.096 -9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.190 -10.924 -9.628 1.00 0.00 H new ATOM 0 HH12 ARG A 120 1.103 -10.837 -11.391 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -1.900 -8.990 -11.426 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.638 -9.747 -12.404 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.160 -12.729 -3.369 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.893 -13.863 -2.493 1.00 0.00 C ATOM 1789 C ALA A 121 -0.449 -14.333 -2.629 1.00 0.00 C ATOM 1790 O ALA A 121 0.178 -14.155 -3.674 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.853 -15.003 -2.799 1.00 0.00 C ATOM 0 H ALA A 121 -3.006 -12.820 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.047 -13.540 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.642 -15.843 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.878 -14.667 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.727 -15.316 -3.835 1.00 0.00 H new ATOM 1797 N LYS A 122 0.075 -14.934 -1.566 1.00 0.00 N ATOM 1798 CA LYS A 122 1.445 -15.432 -1.566 1.00 0.00 C ATOM 1799 C LYS A 122 1.792 -16.073 -2.905 1.00 0.00 C ATOM 1800 O LYS A 122 0.951 -16.686 -3.563 1.00 0.00 O ATOM 1801 CB LYS A 122 1.641 -16.446 -0.437 1.00 0.00 C ATOM 1802 CG LYS A 122 1.074 -17.820 -0.748 1.00 0.00 C ATOM 1803 CD LYS A 122 1.168 -18.748 0.452 1.00 0.00 C ATOM 1804 CE LYS A 122 0.376 -20.028 0.230 1.00 0.00 C ATOM 1805 NZ LYS A 122 -1.081 -19.825 0.460 1.00 0.00 N ATOM 0 H LYS A 122 -0.429 -15.088 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 122 2.112 -14.585 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.706 -16.541 -0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.170 -16.064 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.032 -17.724 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.614 -18.255 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.213 -18.994 0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.794 -18.237 1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.537 -20.383 -0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.745 -20.804 0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.586 -20.720 0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.237 -19.511 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.439 -19.102 -0.197 1.00 0.00 H new