USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 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 13 GLN : amide:sc= -3.68 K(o=-4.1,f=-8.9!) USER MOD Set 1.2: A 115 THR OG1 : rot -76:sc= -0.37 USER MOD Set 2.1: A 69 SER OG : rot 139:sc= 0.0917 USER MOD Set 2.2: A 76 ASN : amide:sc= -3.61! C(o=-3.5!,f=-2.8!) USER MOD Set 3.1: A 42 MET CE :methyl -138:sc= 0 (180deg=0) USER MOD Set 3.2: A 56 ASN : amide:sc= -4.18! K(o=-4.2!,f=-1.7) USER MOD Single : A 10 GLN : amide:sc= -6.85! C(o=-6.8!,f=-5.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 35:sc= 0.0145 USER MOD Single : A 19 SER OG : rot 23:sc= 0.492! USER MOD Single : A 25 SER OG : rot 31:sc= 0.414 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -179:sc= -3.51! (180deg=-3.57!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0587 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.19 K(o=-2.2,f=-5!) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0.00202 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -3.87! C(o=-3.9!,f=-2.9!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 35:sc= 0.221 USER MOD Single : A 80 SER OG : rot 80:sc= 1.05 USER MOD Single : A 82 SER OG : rot -44:sc= 0.0288 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0462 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot -77:sc= 0.739 USER MOD Single : A 93 THR OG1 : rot -29:sc= 0.117! USER MOD Single : A 94 TYR OH : rot -51:sc= 0.503 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -118:sc= 0.848 (180deg=-1.8!) USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00951) USER MOD Single : A 103 SER OG : rot 180:sc= 0 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 -6.723 26.553 -4.954 1.00 0.00 N ATOM 67 CA GLU A 8 -7.091 25.895 -3.706 1.00 0.00 C ATOM 68 C GLU A 8 -6.466 24.506 -3.619 1.00 0.00 C ATOM 69 O GLU A 8 -6.629 23.681 -4.519 1.00 0.00 O ATOM 70 CB GLU A 8 -8.613 25.789 -3.589 1.00 0.00 C ATOM 71 CG GLU A 8 -9.075 24.896 -2.450 1.00 0.00 C ATOM 72 CD GLU A 8 -10.570 24.981 -2.211 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.034 26.035 -1.726 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.276 23.995 -2.508 1.00 0.00 O ATOM 0 HA GLU A 8 -6.711 26.498 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.029 26.787 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.015 25.405 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.804 23.863 -2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.549 25.176 -1.538 1.00 0.00 H new ATOM 81 N LEU A 9 -5.748 24.254 -2.529 1.00 0.00 N ATOM 82 CA LEU A 9 -5.097 22.965 -2.323 1.00 0.00 C ATOM 83 C LEU A 9 -5.948 21.829 -2.881 1.00 0.00 C ATOM 84 O LEU A 9 -7.174 21.923 -2.921 1.00 0.00 O ATOM 85 CB LEU A 9 -4.834 22.737 -0.833 1.00 0.00 C ATOM 86 CG LEU A 9 -4.550 21.294 -0.415 1.00 0.00 C ATOM 87 CD1 LEU A 9 -3.794 21.259 0.903 1.00 0.00 C ATOM 88 CD2 LEU A 9 -5.847 20.504 -0.309 1.00 0.00 C ATOM 0 H LEU A 9 -5.602 24.925 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.146 22.977 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.986 23.354 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.699 23.093 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.927 20.831 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.601 20.224 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.847 21.788 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.391 21.740 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.626 19.479 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.495 20.967 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.350 20.500 -1.276 1.00 0.00 H new ATOM 100 N GLN A 10 -5.288 20.757 -3.308 1.00 0.00 N ATOM 101 CA GLN A 10 -5.985 19.603 -3.862 1.00 0.00 C ATOM 102 C GLN A 10 -5.169 18.329 -3.667 1.00 0.00 C ATOM 103 O GLN A 10 -3.949 18.330 -3.830 1.00 0.00 O ATOM 104 CB GLN A 10 -6.269 19.818 -5.350 1.00 0.00 C ATOM 105 CG GLN A 10 -6.383 18.524 -6.141 1.00 0.00 C ATOM 106 CD GLN A 10 -7.409 17.573 -5.559 1.00 0.00 C ATOM 107 OE1 GLN A 10 -7.379 16.371 -5.825 1.00 0.00 O ATOM 108 NE2 GLN A 10 -8.325 18.106 -4.760 1.00 0.00 N ATOM 0 H GLN A 10 -4.273 20.664 -3.281 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.931 19.492 -3.331 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.196 20.382 -5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.474 20.427 -5.779 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.651 18.755 -7.172 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.411 18.032 -6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.313 19.107 -4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.041 17.514 -4.339 1.00 0.00 H new ATOM 117 N VAL A 11 -5.851 17.243 -3.317 1.00 0.00 N ATOM 118 CA VAL A 11 -5.190 15.962 -3.100 1.00 0.00 C ATOM 119 C VAL A 11 -4.829 15.299 -4.425 1.00 0.00 C ATOM 120 O VAL A 11 -5.699 14.791 -5.133 1.00 0.00 O ATOM 121 CB VAL A 11 -6.077 15.004 -2.284 1.00 0.00 C ATOM 122 CG1 VAL A 11 -5.454 13.617 -2.228 1.00 0.00 C ATOM 123 CG2 VAL A 11 -6.303 15.552 -0.883 1.00 0.00 C ATOM 0 H VAL A 11 -6.861 17.225 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.278 16.167 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.045 14.922 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.095 12.954 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.347 13.225 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.473 13.678 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.932 14.863 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.344 15.664 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.795 16.522 -0.947 1.00 0.00 H new ATOM 133 N ILE A 12 -3.541 15.306 -4.753 1.00 0.00 N ATOM 134 CA ILE A 12 -3.066 14.704 -5.992 1.00 0.00 C ATOM 135 C ILE A 12 -2.767 13.220 -5.802 1.00 0.00 C ATOM 136 O ILE A 12 -1.715 12.851 -5.281 1.00 0.00 O ATOM 137 CB ILE A 12 -1.798 15.409 -6.510 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.068 16.900 -6.721 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.325 14.763 -7.804 1.00 0.00 C ATOM 140 CD1 ILE A 12 -2.993 17.189 -7.882 1.00 0.00 C ATOM 0 H ILE A 12 -2.808 15.722 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.863 14.821 -6.726 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.010 15.303 -5.764 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.501 17.315 -5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.120 17.413 -6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.428 15.272 -8.158 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.099 13.712 -7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.108 14.842 -8.558 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.139 18.265 -7.972 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.553 16.805 -8.802 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.955 16.705 -7.710 1.00 0.00 H new ATOM 152 N GLN A 13 -3.699 12.375 -6.231 1.00 0.00 N ATOM 153 CA GLN A 13 -3.534 10.931 -6.110 1.00 0.00 C ATOM 154 C GLN A 13 -3.375 10.284 -7.482 1.00 0.00 C ATOM 155 O GLN A 13 -4.348 9.888 -8.124 1.00 0.00 O ATOM 156 CB GLN A 13 -4.731 10.320 -5.379 1.00 0.00 C ATOM 157 CG GLN A 13 -4.782 10.665 -3.900 1.00 0.00 C ATOM 158 CD GLN A 13 -4.062 9.647 -3.038 1.00 0.00 C ATOM 159 OE1 GLN A 13 -2.938 9.878 -2.591 1.00 0.00 O ATOM 160 NE2 GLN A 13 -4.707 8.510 -2.800 1.00 0.00 N ATOM 0 H GLN A 13 -4.575 12.665 -6.665 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.629 10.741 -5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.650 10.662 -5.855 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.699 9.236 -5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.336 11.647 -3.744 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.822 10.733 -3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.637 8.360 -3.190 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.272 7.787 -2.227 1.00 0.00 H new ATOM 169 N PRO A 14 -2.121 10.174 -7.943 1.00 0.00 N ATOM 170 CA PRO A 14 -1.805 9.575 -9.243 1.00 0.00 C ATOM 171 C PRO A 14 -2.049 8.070 -9.263 1.00 0.00 C ATOM 172 O PRO A 14 -2.695 7.549 -10.171 1.00 0.00 O ATOM 173 CB PRO A 14 -0.315 9.877 -9.421 1.00 0.00 C ATOM 174 CG PRO A 14 0.209 10.028 -8.034 1.00 0.00 C ATOM 175 CD PRO A 14 -0.914 10.624 -7.230 1.00 0.00 C ATOM 0 HA PRO A 14 -2.433 9.975 -10.039 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.192 9.070 -9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.162 10.786 -10.003 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.514 9.065 -7.625 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.087 10.674 -8.017 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.901 10.271 -6.199 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.850 11.712 -7.195 1.00 0.00 H new ATOM 183 N GLU A 15 -1.529 7.377 -8.254 1.00 0.00 N ATOM 184 CA GLU A 15 -1.692 5.931 -8.157 1.00 0.00 C ATOM 185 C GLU A 15 -3.161 5.560 -7.977 1.00 0.00 C ATOM 186 O GLU A 15 -3.642 5.407 -6.854 1.00 0.00 O ATOM 187 CB GLU A 15 -0.868 5.380 -6.991 1.00 0.00 C ATOM 188 CG GLU A 15 0.625 5.338 -7.266 1.00 0.00 C ATOM 189 CD GLU A 15 0.998 4.295 -8.302 1.00 0.00 C ATOM 190 OE1 GLU A 15 0.774 4.547 -9.504 1.00 0.00 O ATOM 191 OE2 GLU A 15 1.513 3.227 -7.910 1.00 0.00 O ATOM 0 H GLU A 15 -0.992 7.793 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.335 5.487 -9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.049 5.993 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.214 4.373 -6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.955 6.319 -7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.156 5.129 -6.337 1.00 0.00 H new ATOM 198 N LYS A 16 -3.869 5.416 -9.092 1.00 0.00 N ATOM 199 CA LYS A 16 -5.283 5.062 -9.060 1.00 0.00 C ATOM 200 C LYS A 16 -5.510 3.801 -8.232 1.00 0.00 C ATOM 201 O LYS A 16 -6.535 3.662 -7.565 1.00 0.00 O ATOM 202 CB LYS A 16 -5.809 4.851 -10.482 1.00 0.00 C ATOM 203 CG LYS A 16 -7.315 5.007 -10.602 1.00 0.00 C ATOM 204 CD LYS A 16 -7.866 4.216 -11.777 1.00 0.00 C ATOM 205 CE LYS A 16 -9.353 4.467 -11.971 1.00 0.00 C ATOM 206 NZ LYS A 16 -9.608 5.624 -12.873 1.00 0.00 N ATOM 0 H LYS A 16 -3.486 5.539 -10.029 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.827 5.884 -8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.324 5.563 -11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.527 3.854 -10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.791 4.671 -9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.564 6.061 -10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.329 4.490 -12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.694 3.152 -11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.821 3.574 -12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.819 4.652 -11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.633 5.762 -12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.184 6.482 -12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.185 5.438 -13.805 1.00 0.00 H new ATOM 220 N SER A 17 -4.546 2.887 -8.277 1.00 0.00 N ATOM 221 CA SER A 17 -4.642 1.637 -7.532 1.00 0.00 C ATOM 222 C SER A 17 -3.269 0.990 -7.378 1.00 0.00 C ATOM 223 O SER A 17 -2.524 0.849 -8.348 1.00 0.00 O ATOM 224 CB SER A 17 -5.598 0.672 -8.236 1.00 0.00 C ATOM 225 OG SER A 17 -5.077 0.261 -9.488 1.00 0.00 O ATOM 0 H SER A 17 -3.690 2.989 -8.822 1.00 0.00 H new ATOM 0 HA SER A 17 -5.031 1.863 -6.539 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.769 -0.201 -7.605 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.565 1.154 -8.381 1.00 0.00 H new ATOM 0 HG SER A 17 -4.102 0.183 -9.427 1.00 0.00 H new ATOM 231 N VAL A 18 -2.941 0.597 -6.151 1.00 0.00 N ATOM 232 CA VAL A 18 -1.659 -0.036 -5.868 1.00 0.00 C ATOM 233 C VAL A 18 -1.760 -1.554 -5.976 1.00 0.00 C ATOM 234 O VAL A 18 -2.806 -2.138 -5.692 1.00 0.00 O ATOM 235 CB VAL A 18 -1.147 0.335 -4.464 1.00 0.00 C ATOM 236 CG1 VAL A 18 0.134 -0.420 -4.145 1.00 0.00 C ATOM 237 CG2 VAL A 18 -0.931 1.837 -4.356 1.00 0.00 C ATOM 0 H VAL A 18 -3.546 0.706 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.953 0.332 -6.612 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.902 0.046 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.480 -0.144 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.058 -1.492 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.899 -0.165 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.569 2.082 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.196 2.153 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.873 2.354 -4.537 1.00 0.00 H new ATOM 247 N SER A 19 -0.666 -2.187 -6.387 1.00 0.00 N ATOM 248 CA SER A 19 -0.632 -3.637 -6.535 1.00 0.00 C ATOM 249 C SER A 19 0.551 -4.233 -5.778 1.00 0.00 C ATOM 250 O SER A 19 1.701 -3.859 -6.007 1.00 0.00 O ATOM 251 CB SER A 19 -0.549 -4.018 -8.015 1.00 0.00 C ATOM 252 OG SER A 19 0.739 -3.748 -8.539 1.00 0.00 O ATOM 0 H SER A 19 0.209 -1.718 -6.623 1.00 0.00 H new ATOM 0 HA SER A 19 -1.552 -4.042 -6.114 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.779 -5.077 -8.135 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.298 -3.463 -8.579 1.00 0.00 H new ATOM 0 HG SER A 19 1.392 -3.732 -7.809 1.00 0.00 H new ATOM 258 N VAL A 20 0.259 -5.162 -4.874 1.00 0.00 N ATOM 259 CA VAL A 20 1.297 -5.812 -4.083 1.00 0.00 C ATOM 260 C VAL A 20 0.933 -7.262 -3.783 1.00 0.00 C ATOM 261 O VAL A 20 -0.077 -7.772 -4.267 1.00 0.00 O ATOM 262 CB VAL A 20 1.537 -5.070 -2.754 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.577 -3.975 -2.934 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.233 -4.495 -2.222 1.00 0.00 C ATOM 0 H VAL A 20 -0.688 -5.482 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 20 2.211 -5.785 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 20 1.918 -5.784 -2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.733 -3.462 -1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.516 -4.417 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.228 -3.261 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.421 -3.974 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.179 -3.795 -2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.479 -5.303 -2.053 1.00 0.00 H new ATOM 274 N ALA A 21 1.764 -7.921 -2.982 1.00 0.00 N ATOM 275 CA ALA A 21 1.529 -9.313 -2.616 1.00 0.00 C ATOM 276 C ALA A 21 1.569 -9.496 -1.103 1.00 0.00 C ATOM 277 O ALA A 21 2.392 -8.892 -0.417 1.00 0.00 O ATOM 278 CB ALA A 21 2.553 -10.215 -3.287 1.00 0.00 C ATOM 0 H ALA A 21 2.606 -7.514 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 21 0.534 -9.592 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.366 -11.251 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.473 -10.114 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.555 -9.928 -2.968 1.00 0.00 H new ATOM 284 N ALA A 22 0.675 -10.335 -0.589 1.00 0.00 N ATOM 285 CA ALA A 22 0.610 -10.599 0.843 1.00 0.00 C ATOM 286 C ALA A 22 2.005 -10.777 1.432 1.00 0.00 C ATOM 287 O ALA A 22 2.654 -11.799 1.218 1.00 0.00 O ATOM 288 CB ALA A 22 -0.241 -11.831 1.114 1.00 0.00 C ATOM 0 H ALA A 22 -0.014 -10.843 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 22 0.148 -9.738 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.281 -12.017 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.250 -11.666 0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.198 -12.694 0.613 1.00 0.00 H new ATOM 294 N GLY A 23 2.461 -9.773 2.176 1.00 0.00 N ATOM 295 CA GLY A 23 3.777 -9.838 2.784 1.00 0.00 C ATOM 296 C GLY A 23 4.747 -8.847 2.173 1.00 0.00 C ATOM 297 O GLY A 23 5.919 -8.805 2.548 1.00 0.00 O ATOM 0 H GLY A 23 1.942 -8.916 2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.690 -9.644 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.175 -10.847 2.674 1.00 0.00 H new ATOM 301 N GLU A 24 4.260 -8.049 1.229 1.00 0.00 N ATOM 302 CA GLU A 24 5.094 -7.055 0.564 1.00 0.00 C ATOM 303 C GLU A 24 4.803 -5.655 1.097 1.00 0.00 C ATOM 304 O GLU A 24 3.982 -5.480 1.996 1.00 0.00 O ATOM 305 CB GLU A 24 4.866 -7.095 -0.949 1.00 0.00 C ATOM 306 CG GLU A 24 5.276 -8.408 -1.592 1.00 0.00 C ATOM 307 CD GLU A 24 6.780 -8.590 -1.639 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.426 -8.466 -0.577 1.00 0.00 O ATOM 309 OE2 GLU A 24 7.313 -8.856 -2.737 1.00 0.00 O ATOM 0 H GLU A 24 3.292 -8.071 0.907 1.00 0.00 H new ATOM 0 HA GLU A 24 6.137 -7.295 0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.811 -6.914 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.425 -6.283 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.831 -9.234 -1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.877 -8.452 -2.605 1.00 0.00 H new ATOM 316 N SER A 25 5.484 -4.661 0.535 1.00 0.00 N ATOM 317 CA SER A 25 5.302 -3.277 0.956 1.00 0.00 C ATOM 318 C SER A 25 4.573 -2.474 -0.117 1.00 0.00 C ATOM 319 O SER A 25 5.038 -2.368 -1.252 1.00 0.00 O ATOM 320 CB SER A 25 6.656 -2.632 1.260 1.00 0.00 C ATOM 321 OG SER A 25 7.492 -2.639 0.116 1.00 0.00 O ATOM 0 H SER A 25 6.166 -4.788 -0.212 1.00 0.00 H new ATOM 0 HA SER A 25 4.695 -3.275 1.861 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.506 -1.607 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.144 -3.169 2.074 1.00 0.00 H new ATOM 0 HG SER A 25 6.942 -2.570 -0.692 1.00 0.00 H new ATOM 327 N ALA A 26 3.428 -1.910 0.251 1.00 0.00 N ATOM 328 CA ALA A 26 2.634 -1.115 -0.678 1.00 0.00 C ATOM 329 C ALA A 26 2.962 0.369 -0.549 1.00 0.00 C ATOM 330 O ALA A 26 3.289 0.852 0.535 1.00 0.00 O ATOM 331 CB ALA A 26 1.150 -1.352 -0.442 1.00 0.00 C ATOM 0 H ALA A 26 3.029 -1.989 1.186 1.00 0.00 H new ATOM 0 HA ALA A 26 2.883 -1.429 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.570 -0.752 -1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.922 -2.407 -0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.894 -1.067 0.578 1.00 0.00 H new ATOM 337 N THR A 27 2.874 1.089 -1.663 1.00 0.00 N ATOM 338 CA THR A 27 3.162 2.518 -1.675 1.00 0.00 C ATOM 339 C THR A 27 1.927 3.325 -2.055 1.00 0.00 C ATOM 340 O THR A 27 1.468 3.278 -3.197 1.00 0.00 O ATOM 341 CB THR A 27 4.302 2.852 -2.656 1.00 0.00 C ATOM 342 OG1 THR A 27 5.454 2.056 -2.358 1.00 0.00 O ATOM 343 CG2 THR A 27 4.665 4.328 -2.581 1.00 0.00 C ATOM 0 H THR A 27 2.605 0.706 -2.569 1.00 0.00 H new ATOM 0 HA THR A 27 3.471 2.787 -0.665 1.00 0.00 H new ATOM 0 HB THR A 27 3.959 2.629 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.173 2.273 -2.987 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.472 4.540 -3.282 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.794 4.930 -2.837 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.990 4.572 -1.569 1.00 0.00 H new ATOM 351 N LEU A 28 1.391 4.066 -1.091 1.00 0.00 N ATOM 352 CA LEU A 28 0.207 4.886 -1.325 1.00 0.00 C ATOM 353 C LEU A 28 0.598 6.301 -1.740 1.00 0.00 C ATOM 354 O LEU A 28 0.698 7.198 -0.904 1.00 0.00 O ATOM 355 CB LEU A 28 -0.662 4.933 -0.067 1.00 0.00 C ATOM 356 CG LEU A 28 -1.068 3.580 0.519 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.688 3.760 1.896 1.00 0.00 C ATOM 358 CD2 LEU A 28 -2.034 2.864 -0.413 1.00 0.00 C ATOM 0 H LEU A 28 1.757 4.116 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.363 4.434 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.126 5.493 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.568 5.494 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.173 2.967 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.971 2.787 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.965 4.231 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.573 4.391 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.312 1.903 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.928 3.473 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.555 2.702 -1.379 1.00 0.00 H new ATOM 370 N ARG A 29 0.815 6.492 -3.037 1.00 0.00 N ATOM 371 CA ARG A 29 1.194 7.798 -3.564 1.00 0.00 C ATOM 372 C ARG A 29 0.165 8.858 -3.180 1.00 0.00 C ATOM 373 O ARG A 29 -1.028 8.706 -3.445 1.00 0.00 O ATOM 374 CB ARG A 29 1.335 7.737 -5.086 1.00 0.00 C ATOM 375 CG ARG A 29 2.685 7.218 -5.552 1.00 0.00 C ATOM 376 CD ARG A 29 3.739 8.315 -5.535 1.00 0.00 C ATOM 377 NE ARG A 29 3.391 9.422 -6.422 1.00 0.00 N ATOM 378 CZ ARG A 29 3.919 10.637 -6.322 1.00 0.00 C ATOM 379 NH1 ARG A 29 4.814 10.899 -5.380 1.00 0.00 N ATOM 380 NH2 ARG A 29 3.552 11.592 -7.167 1.00 0.00 N ATOM 0 H ARG A 29 0.735 5.759 -3.742 1.00 0.00 H new ATOM 0 HA ARG A 29 2.154 8.073 -3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.550 7.097 -5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.177 8.734 -5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.002 6.397 -4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.593 6.816 -6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.857 8.689 -4.518 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.701 7.899 -5.835 1.00 0.00 H new ATOM 0 HE ARG A 29 2.705 9.253 -7.158 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.099 10.167 -4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.218 11.833 -5.306 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.864 11.393 -7.894 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.958 12.525 -7.090 1.00 0.00 H new ATOM 394 N CYS A 30 0.635 9.931 -2.553 1.00 0.00 N ATOM 395 CA CYS A 30 -0.242 11.017 -2.131 1.00 0.00 C ATOM 396 C CYS A 30 0.526 12.332 -2.037 1.00 0.00 C ATOM 397 O CYS A 30 1.689 12.355 -1.634 1.00 0.00 O ATOM 398 CB CYS A 30 -0.881 10.688 -0.781 1.00 0.00 C ATOM 399 SG CYS A 30 -2.048 11.953 -0.183 1.00 0.00 S ATOM 0 H CYS A 30 1.619 10.072 -2.326 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.027 11.129 -2.879 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.404 9.735 -0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.092 10.557 -0.040 1.00 0.00 H new ATOM 404 N ALA A 31 -0.133 13.424 -2.410 1.00 0.00 N ATOM 405 CA ALA A 31 0.487 14.742 -2.365 1.00 0.00 C ATOM 406 C ALA A 31 -0.561 15.845 -2.475 1.00 0.00 C ATOM 407 O ALA A 31 -1.720 15.583 -2.795 1.00 0.00 O ATOM 408 CB ALA A 31 1.518 14.879 -3.476 1.00 0.00 C ATOM 0 H ALA A 31 -1.096 13.422 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 31 0.989 14.847 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.973 15.868 -3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.289 14.119 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.031 14.748 -4.442 1.00 0.00 H new ATOM 414 N MET A 32 -0.146 17.078 -2.205 1.00 0.00 N ATOM 415 CA MET A 32 -1.050 18.221 -2.274 1.00 0.00 C ATOM 416 C MET A 32 -0.436 19.351 -3.095 1.00 0.00 C ATOM 417 O MET A 32 0.768 19.603 -3.022 1.00 0.00 O ATOM 418 CB MET A 32 -1.384 18.720 -0.867 1.00 0.00 C ATOM 419 CG MET A 32 -2.458 17.900 -0.171 1.00 0.00 C ATOM 420 SD MET A 32 -1.776 16.534 0.789 1.00 0.00 S ATOM 421 CE MET A 32 -3.014 15.271 0.507 1.00 0.00 C ATOM 0 H MET A 32 0.810 17.312 -1.936 1.00 0.00 H new ATOM 0 HA MET A 32 -1.968 17.897 -2.764 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.478 18.706 -0.261 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.712 19.758 -0.927 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.036 18.549 0.487 1.00 0.00 H new ATOM 0 HG3 MET A 32 -3.149 17.506 -0.916 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.742 14.367 1.052 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.983 15.627 0.855 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.071 15.049 -0.559 1.00 0.00 H new ATOM 431 N THR A 33 -1.270 20.030 -3.876 1.00 0.00 N ATOM 432 CA THR A 33 -0.809 21.132 -4.711 1.00 0.00 C ATOM 433 C THR A 33 -0.242 22.265 -3.863 1.00 0.00 C ATOM 434 O THR A 33 0.517 23.101 -4.353 1.00 0.00 O ATOM 435 CB THR A 33 -1.946 21.684 -5.591 1.00 0.00 C ATOM 436 OG1 THR A 33 -2.946 22.299 -4.770 1.00 0.00 O ATOM 437 CG2 THR A 33 -2.576 20.575 -6.420 1.00 0.00 C ATOM 0 H THR A 33 -2.269 19.836 -3.948 1.00 0.00 H new ATOM 0 HA THR A 33 -0.023 20.734 -5.353 1.00 0.00 H new ATOM 0 HB THR A 33 -1.524 22.427 -6.268 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.665 22.649 -5.337 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.376 20.989 -7.033 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.819 20.128 -7.065 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.984 19.812 -5.757 1.00 0.00 H new ATOM 445 N SER A 34 -0.615 22.286 -2.587 1.00 0.00 N ATOM 446 CA SER A 34 -0.146 23.319 -1.671 1.00 0.00 C ATOM 447 C SER A 34 -0.239 22.844 -0.224 1.00 0.00 C ATOM 448 O SER A 34 -0.625 21.706 0.045 1.00 0.00 O ATOM 449 CB SER A 34 -0.961 24.600 -1.853 1.00 0.00 C ATOM 450 OG SER A 34 -0.257 25.727 -1.359 1.00 0.00 O ATOM 0 H SER A 34 -1.240 21.600 -2.165 1.00 0.00 H new ATOM 0 HA SER A 34 0.899 23.527 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.188 24.743 -2.909 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.914 24.506 -1.332 1.00 0.00 H new ATOM 0 HG SER A 34 -0.798 26.534 -1.489 1.00 0.00 H new ATOM 456 N LEU A 35 0.118 23.725 0.705 1.00 0.00 N ATOM 457 CA LEU A 35 0.075 23.398 2.126 1.00 0.00 C ATOM 458 C LEU A 35 -0.928 24.283 2.859 1.00 0.00 C ATOM 459 O LEU A 35 -1.181 24.097 4.049 1.00 0.00 O ATOM 460 CB LEU A 35 1.463 23.558 2.748 1.00 0.00 C ATOM 461 CG LEU A 35 2.613 22.874 2.008 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.911 23.639 2.214 1.00 0.00 C ATOM 463 CD2 LEU A 35 2.763 21.432 2.470 1.00 0.00 C ATOM 0 H LEU A 35 0.440 24.671 0.499 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.244 22.360 2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.686 24.622 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.430 23.169 3.766 1.00 0.00 H new ATOM 0 HG LEU A 35 2.382 22.871 0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.718 23.137 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.800 24.654 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.147 23.675 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.586 20.961 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.970 21.412 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.840 20.888 2.269 1.00 0.00 H new ATOM 475 N ILE A 36 -1.497 25.244 2.139 1.00 0.00 N ATOM 476 CA ILE A 36 -2.475 26.156 2.720 1.00 0.00 C ATOM 477 C ILE A 36 -3.867 25.902 2.154 1.00 0.00 C ATOM 478 O ILE A 36 -4.051 25.717 0.950 1.00 0.00 O ATOM 479 CB ILE A 36 -2.091 27.627 2.471 1.00 0.00 C ATOM 480 CG1 ILE A 36 -0.671 27.898 2.970 1.00 0.00 C ATOM 481 CG2 ILE A 36 -3.085 28.556 3.152 1.00 0.00 C ATOM 482 CD1 ILE A 36 -0.441 27.467 4.402 1.00 0.00 C ATOM 0 H ILE A 36 -1.298 25.411 1.153 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.483 25.968 3.794 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.121 27.819 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.037 27.379 2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.461 28.964 2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.800 29.592 2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.083 28.377 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.085 28.366 4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.587 27.689 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.125 28.005 5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.619 26.395 4.493 1.00 0.00 H new ATOM 494 N PRO A 37 -4.874 25.895 3.040 1.00 0.00 N ATOM 495 CA PRO A 37 -4.668 26.113 4.475 1.00 0.00 C ATOM 496 C PRO A 37 -3.943 24.948 5.140 1.00 0.00 C ATOM 497 O PRO A 37 -4.119 23.792 4.754 1.00 0.00 O ATOM 498 CB PRO A 37 -6.091 26.240 5.023 1.00 0.00 C ATOM 499 CG PRO A 37 -6.938 25.489 4.055 1.00 0.00 C ATOM 500 CD PRO A 37 -6.292 25.671 2.710 1.00 0.00 C ATOM 0 HA PRO A 37 -4.043 26.985 4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.168 25.820 6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.398 27.284 5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.993 24.434 4.322 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.959 25.871 4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.424 24.792 2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.718 26.517 2.171 1.00 0.00 H new ATOM 508 N VAL A 38 -3.128 25.259 6.143 1.00 0.00 N ATOM 509 CA VAL A 38 -2.378 24.237 6.863 1.00 0.00 C ATOM 510 C VAL A 38 -3.264 23.045 7.208 1.00 0.00 C ATOM 511 O VAL A 38 -4.475 23.185 7.368 1.00 0.00 O ATOM 512 CB VAL A 38 -1.766 24.800 8.160 1.00 0.00 C ATOM 513 CG1 VAL A 38 -0.900 23.751 8.841 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.963 26.058 7.868 1.00 0.00 C ATOM 0 H VAL A 38 -2.970 26.210 6.475 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.575 23.910 6.203 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.577 25.064 8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.476 24.167 9.755 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.508 22.880 9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.094 23.453 8.170 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.538 26.442 8.795 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.159 25.823 7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.616 26.812 7.428 1.00 0.00 H new ATOM 524 N GLY A 39 -2.650 21.871 7.320 1.00 0.00 N ATOM 525 CA GLY A 39 -3.398 20.671 7.645 1.00 0.00 C ATOM 526 C GLY A 39 -2.561 19.413 7.519 1.00 0.00 C ATOM 527 O GLY A 39 -1.847 19.214 6.535 1.00 0.00 O ATOM 0 H GLY A 39 -1.648 21.730 7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.780 20.749 8.663 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.263 20.596 6.985 1.00 0.00 H new ATOM 531 N PRO A 40 -2.641 18.540 8.533 1.00 0.00 N ATOM 532 CA PRO A 40 -1.890 17.281 8.555 1.00 0.00 C ATOM 533 C PRO A 40 -2.404 16.281 7.524 1.00 0.00 C ATOM 534 O PRO A 40 -3.173 16.637 6.631 1.00 0.00 O ATOM 535 CB PRO A 40 -2.123 16.754 9.973 1.00 0.00 C ATOM 536 CG PRO A 40 -3.414 17.363 10.397 1.00 0.00 C ATOM 537 CD PRO A 40 -3.471 18.713 9.737 1.00 0.00 C ATOM 0 HA PRO A 40 -0.839 17.429 8.308 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.176 15.665 9.987 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.311 17.042 10.641 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.257 16.743 10.091 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.464 17.456 11.482 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.493 18.993 9.483 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.078 19.495 10.387 1.00 0.00 H new ATOM 545 N ILE A 41 -1.975 15.031 7.655 1.00 0.00 N ATOM 546 CA ILE A 41 -2.394 13.980 6.735 1.00 0.00 C ATOM 547 C ILE A 41 -2.831 12.730 7.491 1.00 0.00 C ATOM 548 O ILE A 41 -2.116 12.240 8.365 1.00 0.00 O ATOM 549 CB ILE A 41 -1.266 13.607 5.756 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.753 14.855 5.034 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.756 12.573 4.753 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.807 15.544 4.195 1.00 0.00 C ATOM 0 H ILE A 41 -1.338 14.721 8.389 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.239 14.373 6.170 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.442 13.174 6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.370 15.560 5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.084 14.576 4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.947 12.319 4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.078 11.676 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.595 12.982 4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.373 16.420 3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.174 14.855 3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.635 15.854 4.833 1.00 0.00 H new ATOM 564 N MET A 42 -4.008 12.218 7.147 1.00 0.00 N ATOM 565 CA MET A 42 -4.538 11.022 7.791 1.00 0.00 C ATOM 566 C MET A 42 -5.117 10.059 6.759 1.00 0.00 C ATOM 567 O MET A 42 -6.020 10.416 6.003 1.00 0.00 O ATOM 568 CB MET A 42 -5.613 11.400 8.812 1.00 0.00 C ATOM 569 CG MET A 42 -5.068 12.144 10.020 1.00 0.00 C ATOM 570 SD MET A 42 -6.339 12.497 11.250 1.00 0.00 S ATOM 571 CE MET A 42 -5.675 13.978 12.008 1.00 0.00 C ATOM 0 H MET A 42 -4.613 12.612 6.426 1.00 0.00 H new ATOM 0 HA MET A 42 -3.717 10.524 8.306 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.365 12.019 8.323 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.116 10.494 9.150 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.277 11.552 10.480 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.616 13.080 9.692 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.806 13.924 13.089 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.614 14.062 11.775 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.201 14.851 11.622 1.00 0.00 H new ATOM 581 N TRP A 43 -4.591 8.840 6.733 1.00 0.00 N ATOM 582 CA TRP A 43 -5.057 7.827 5.793 1.00 0.00 C ATOM 583 C TRP A 43 -6.201 7.015 6.390 1.00 0.00 C ATOM 584 O TRP A 43 -6.176 6.664 7.570 1.00 0.00 O ATOM 585 CB TRP A 43 -3.906 6.899 5.401 1.00 0.00 C ATOM 586 CG TRP A 43 -2.933 7.527 4.450 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.835 8.272 4.773 1.00 0.00 C ATOM 588 CD2 TRP A 43 -2.973 7.468 3.020 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.189 8.679 3.630 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.867 8.198 2.541 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.834 6.868 2.097 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.603 8.343 1.182 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.571 7.014 0.748 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.463 7.746 0.301 1.00 0.00 C ATOM 0 H TRP A 43 -3.842 8.529 7.352 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.425 8.335 4.902 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.375 6.590 6.302 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.315 5.996 4.947 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.520 8.507 5.779 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.342 9.247 3.598 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.690 6.300 2.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.750 8.907 0.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.231 6.556 0.026 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.284 7.841 -0.760 1.00 0.00 H new ATOM 605 N PHE A 44 -7.202 6.718 5.568 1.00 0.00 N ATOM 606 CA PHE A 44 -8.356 5.947 6.016 1.00 0.00 C ATOM 607 C PHE A 44 -8.880 5.053 4.896 1.00 0.00 C ATOM 608 O PHE A 44 -9.196 5.527 3.805 1.00 0.00 O ATOM 609 CB PHE A 44 -9.466 6.884 6.498 1.00 0.00 C ATOM 610 CG PHE A 44 -9.069 7.726 7.676 1.00 0.00 C ATOM 611 CD1 PHE A 44 -9.134 7.216 8.963 1.00 0.00 C ATOM 612 CD2 PHE A 44 -8.633 9.029 7.497 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.769 7.989 10.049 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.267 9.806 8.580 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.336 9.286 9.858 1.00 0.00 C ATOM 0 H PHE A 44 -7.237 6.999 4.588 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.039 5.314 6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.761 7.538 5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.341 6.291 6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.474 6.203 9.119 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.579 9.442 6.501 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.822 7.579 11.047 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.927 10.820 8.427 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.052 9.892 10.705 1.00 0.00 H new ATOM 625 N ARG A 45 -8.969 3.756 5.175 1.00 0.00 N ATOM 626 CA ARG A 45 -9.452 2.795 4.192 1.00 0.00 C ATOM 627 C ARG A 45 -10.944 2.533 4.376 1.00 0.00 C ATOM 628 O ARG A 45 -11.358 1.897 5.345 1.00 0.00 O ATOM 629 CB ARG A 45 -8.675 1.482 4.306 1.00 0.00 C ATOM 630 CG ARG A 45 -8.929 0.522 3.155 1.00 0.00 C ATOM 631 CD ARG A 45 -8.828 -0.927 3.606 1.00 0.00 C ATOM 632 NE ARG A 45 -9.543 -1.162 4.857 1.00 0.00 N ATOM 633 CZ ARG A 45 -9.393 -2.257 5.595 1.00 0.00 C ATOM 634 NH1 ARG A 45 -8.558 -3.211 5.208 1.00 0.00 N ATOM 635 NH2 ARG A 45 -10.079 -2.398 6.722 1.00 0.00 N ATOM 0 H ARG A 45 -8.713 3.347 6.074 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.294 3.218 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.609 1.704 4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.942 0.992 5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.919 0.706 2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.208 0.708 2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.232 -1.577 2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.779 -1.195 3.732 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.193 -0.447 5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.029 -3.105 4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.444 -4.051 5.776 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.722 -1.666 7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.963 -3.239 7.288 1.00 0.00 H new ATOM 649 N GLY A 46 -11.747 3.028 3.439 1.00 0.00 N ATOM 650 CA GLY A 46 -13.184 2.838 3.517 1.00 0.00 C ATOM 651 C GLY A 46 -13.907 4.078 4.003 1.00 0.00 C ATOM 652 O GLY A 46 -14.797 3.993 4.849 1.00 0.00 O ATOM 0 H GLY A 46 -11.428 3.557 2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.565 2.561 2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.402 2.008 4.189 1.00 0.00 H new ATOM 656 N ALA A 47 -13.524 5.232 3.469 1.00 0.00 N ATOM 657 CA ALA A 47 -14.143 6.495 3.854 1.00 0.00 C ATOM 658 C ALA A 47 -15.623 6.307 4.169 1.00 0.00 C ATOM 659 O ALA A 47 -16.297 5.479 3.558 1.00 0.00 O ATOM 660 CB ALA A 47 -13.962 7.528 2.752 1.00 0.00 C ATOM 0 H ALA A 47 -12.788 5.319 2.768 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.649 6.854 4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.429 8.466 3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.899 7.691 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.429 7.168 1.835 1.00 0.00 H new ATOM 690 N ARG A 51 -14.367 3.170 8.032 1.00 0.00 N ATOM 691 CA ARG A 51 -12.954 3.328 7.708 1.00 0.00 C ATOM 692 C ARG A 51 -12.081 3.018 8.921 1.00 0.00 C ATOM 693 O ARG A 51 -12.503 3.197 10.063 1.00 0.00 O ATOM 694 CB ARG A 51 -12.677 4.750 7.216 1.00 0.00 C ATOM 695 CG ARG A 51 -12.869 5.812 8.286 1.00 0.00 C ATOM 696 CD ARG A 51 -12.983 7.201 7.677 1.00 0.00 C ATOM 697 NE ARG A 51 -13.762 8.106 8.519 1.00 0.00 N ATOM 698 CZ ARG A 51 -14.170 9.307 8.125 1.00 0.00 C ATOM 699 NH1 ARG A 51 -13.876 9.745 6.909 1.00 0.00 N ATOM 700 NH2 ARG A 51 -14.875 10.072 8.949 1.00 0.00 N ATOM 0 HA ARG A 51 -12.708 2.623 6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.655 4.803 6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.336 4.970 6.376 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.767 5.591 8.862 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.030 5.786 8.981 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.985 7.614 7.527 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.449 7.129 6.694 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.006 7.799 9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.335 9.159 6.273 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.191 10.668 6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.104 9.738 9.885 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.188 10.994 8.646 1.00 0.00 H new ATOM 714 N GLU A 52 -10.862 2.554 8.663 1.00 0.00 N ATOM 715 CA GLU A 52 -9.931 2.219 9.733 1.00 0.00 C ATOM 716 C GLU A 52 -8.643 3.028 9.608 1.00 0.00 C ATOM 717 O GLU A 52 -7.837 2.797 8.705 1.00 0.00 O ATOM 718 CB GLU A 52 -9.611 0.723 9.711 1.00 0.00 C ATOM 719 CG GLU A 52 -8.635 0.293 10.794 1.00 0.00 C ATOM 720 CD GLU A 52 -8.724 -1.188 11.105 1.00 0.00 C ATOM 721 OE1 GLU A 52 -9.790 -1.785 10.851 1.00 0.00 O ATOM 722 OE2 GLU A 52 -7.725 -1.750 11.602 1.00 0.00 O ATOM 0 H GLU A 52 -10.497 2.402 7.723 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.405 2.468 10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.538 0.160 9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.197 0.463 8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.620 0.534 10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.831 0.863 11.702 1.00 0.00 H new ATOM 729 N LEU A 53 -8.457 3.977 10.518 1.00 0.00 N ATOM 730 CA LEU A 53 -7.268 4.822 10.510 1.00 0.00 C ATOM 731 C LEU A 53 -6.027 4.012 10.148 1.00 0.00 C ATOM 732 O LEU A 53 -5.616 3.122 10.893 1.00 0.00 O ATOM 733 CB LEU A 53 -7.078 5.483 11.876 1.00 0.00 C ATOM 734 CG LEU A 53 -5.826 6.346 12.037 1.00 0.00 C ATOM 735 CD1 LEU A 53 -5.800 7.448 10.990 1.00 0.00 C ATOM 736 CD2 LEU A 53 -5.762 6.937 13.438 1.00 0.00 C ATOM 0 H LEU A 53 -9.114 4.181 11.271 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.408 5.596 9.755 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.951 6.103 12.082 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.056 4.701 12.635 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.950 5.713 11.891 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.902 8.052 11.120 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.798 7.004 9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.681 8.079 11.104 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.865 7.548 13.534 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.643 7.555 13.613 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.733 6.131 14.172 1.00 0.00 H new ATOM 748 N ILE A 54 -5.434 4.328 9.002 1.00 0.00 N ATOM 749 CA ILE A 54 -4.238 3.632 8.544 1.00 0.00 C ATOM 750 C ILE A 54 -2.974 4.322 9.046 1.00 0.00 C ATOM 751 O ILE A 54 -2.049 3.670 9.531 1.00 0.00 O ATOM 752 CB ILE A 54 -4.188 3.551 7.007 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.460 2.893 6.468 1.00 0.00 C ATOM 754 CG2 ILE A 54 -2.956 2.781 6.556 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.574 1.424 6.813 1.00 0.00 C ATOM 0 H ILE A 54 -5.762 5.061 8.374 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.285 2.622 8.952 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.126 4.563 6.607 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.328 3.419 6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.487 3.006 5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.935 2.733 5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.059 3.287 6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.989 1.771 6.963 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.499 1.024 6.399 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.725 0.885 6.393 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.580 1.304 7.896 1.00 0.00 H new ATOM 767 N TYR A 55 -2.942 5.645 8.928 1.00 0.00 N ATOM 768 CA TYR A 55 -1.791 6.424 9.369 1.00 0.00 C ATOM 769 C TYR A 55 -2.213 7.827 9.793 1.00 0.00 C ATOM 770 O TYR A 55 -3.027 8.469 9.130 1.00 0.00 O ATOM 771 CB TYR A 55 -0.748 6.508 8.254 1.00 0.00 C ATOM 772 CG TYR A 55 0.482 7.302 8.634 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.476 6.742 9.427 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.649 8.611 8.201 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.601 7.463 9.777 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.772 9.339 8.545 1.00 0.00 C ATOM 777 CZ TYR A 55 2.745 8.761 9.334 1.00 0.00 C ATOM 778 OH TYR A 55 3.863 9.484 9.680 1.00 0.00 O ATOM 0 H TYR A 55 -3.700 6.200 8.531 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.352 5.920 10.230 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.446 5.499 7.973 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.205 6.961 7.374 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.367 5.726 9.776 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.112 9.068 7.585 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.364 7.012 10.394 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.887 10.355 8.198 1.00 0.00 H new ATOM 0 HH TYR A 55 3.809 10.379 9.285 1.00 0.00 H new ATOM 788 N ASN A 56 -1.653 8.297 10.903 1.00 0.00 N ATOM 789 CA ASN A 56 -1.971 9.624 11.418 1.00 0.00 C ATOM 790 C ASN A 56 -0.699 10.432 11.661 1.00 0.00 C ATOM 791 O ASN A 56 0.066 10.140 12.580 1.00 0.00 O ATOM 792 CB ASN A 56 -2.774 9.512 12.715 1.00 0.00 C ATOM 793 CG ASN A 56 -3.614 10.746 12.983 1.00 0.00 C ATOM 794 OD1 ASN A 56 -4.821 10.653 13.204 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.977 11.911 12.964 1.00 0.00 N ATOM 0 H ASN A 56 -0.977 7.778 11.463 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.572 10.142 10.671 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.423 8.638 12.663 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.091 9.352 13.549 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.490 12.776 13.137 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.975 11.941 12.776 1.00 0.00 H new ATOM 802 N GLN A 57 -0.482 11.447 10.831 1.00 0.00 N ATOM 803 CA GLN A 57 0.696 12.297 10.957 1.00 0.00 C ATOM 804 C GLN A 57 0.740 12.968 12.325 1.00 0.00 C ATOM 805 O GLN A 57 1.720 12.841 13.060 1.00 0.00 O ATOM 806 CB GLN A 57 0.706 13.357 9.855 1.00 0.00 C ATOM 807 CG GLN A 57 2.051 14.046 9.685 1.00 0.00 C ATOM 808 CD GLN A 57 2.266 14.567 8.277 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.579 14.159 7.340 1.00 0.00 O ATOM 810 NE2 GLN A 57 3.223 15.474 8.121 1.00 0.00 N ATOM 0 H GLN A 57 -1.106 11.701 10.065 1.00 0.00 H new ATOM 0 HA GLN A 57 1.580 11.667 10.854 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.424 12.890 8.911 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.052 14.108 10.078 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.122 14.874 10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.848 13.346 9.935 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.768 15.784 8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.413 15.861 7.197 1.00 0.00 H new ATOM 819 N LYS A 58 -0.327 13.684 12.662 1.00 0.00 N ATOM 820 CA LYS A 58 -0.412 14.375 13.943 1.00 0.00 C ATOM 821 C LYS A 58 0.310 13.591 15.034 1.00 0.00 C ATOM 822 O LYS A 58 1.224 14.105 15.678 1.00 0.00 O ATOM 823 CB LYS A 58 -1.876 14.586 14.336 1.00 0.00 C ATOM 824 CG LYS A 58 -2.052 15.252 15.690 1.00 0.00 C ATOM 825 CD LYS A 58 -3.322 16.086 15.739 1.00 0.00 C ATOM 826 CE LYS A 58 -4.554 15.215 15.932 1.00 0.00 C ATOM 827 NZ LYS A 58 -5.783 16.031 16.136 1.00 0.00 N ATOM 0 H LYS A 58 -1.146 13.801 12.065 1.00 0.00 H new ATOM 0 HA LYS A 58 0.073 15.345 13.836 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.364 15.195 13.575 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.383 13.621 14.346 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.085 14.491 16.470 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.191 15.886 15.900 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.254 16.807 16.554 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.420 16.657 14.815 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.685 14.573 15.061 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.405 14.561 16.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.574 15.408 16.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.619 16.721 16.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.015 16.534 15.256 1.00 0.00 H new ATOM 841 N GLU A 59 -0.105 12.344 15.234 1.00 0.00 N ATOM 842 CA GLU A 59 0.504 11.490 16.247 1.00 0.00 C ATOM 843 C GLU A 59 0.170 10.023 15.993 1.00 0.00 C ATOM 844 O GLU A 59 -0.519 9.689 15.030 1.00 0.00 O ATOM 845 CB GLU A 59 0.029 11.898 17.643 1.00 0.00 C ATOM 846 CG GLU A 59 -1.478 11.819 17.821 1.00 0.00 C ATOM 847 CD GLU A 59 -1.884 11.601 19.265 1.00 0.00 C ATOM 848 OE1 GLU A 59 -1.948 10.429 19.693 1.00 0.00 O ATOM 849 OE2 GLU A 59 -2.137 12.601 19.968 1.00 0.00 O ATOM 0 H GLU A 59 -0.860 11.903 14.708 1.00 0.00 H new ATOM 0 HA GLU A 59 1.585 11.615 16.188 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.508 11.256 18.382 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.357 12.917 17.846 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.932 12.740 17.455 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.870 11.006 17.210 1.00 0.00 H new ATOM 856 N GLY A 60 0.666 9.150 16.865 1.00 0.00 N ATOM 857 CA GLY A 60 0.411 7.729 16.718 1.00 0.00 C ATOM 858 C GLY A 60 1.643 6.960 16.283 1.00 0.00 C ATOM 859 O GLY A 60 2.253 7.277 15.261 1.00 0.00 O ATOM 0 H GLY A 60 1.240 9.402 17.670 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.052 7.328 17.666 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.384 7.579 15.987 1.00 0.00 H new ATOM 863 N HIS A 61 2.012 5.948 17.061 1.00 0.00 N ATOM 864 CA HIS A 61 3.181 5.132 16.751 1.00 0.00 C ATOM 865 C HIS A 61 2.868 4.134 15.641 1.00 0.00 C ATOM 866 O HIS A 61 2.228 3.109 15.877 1.00 0.00 O ATOM 867 CB HIS A 61 3.658 4.391 18.000 1.00 0.00 C ATOM 868 CG HIS A 61 4.475 3.172 17.699 1.00 0.00 C ATOM 869 ND1 HIS A 61 5.841 3.207 17.517 1.00 0.00 N ATOM 870 CD2 HIS A 61 4.110 1.877 17.548 1.00 0.00 C ATOM 871 CE1 HIS A 61 6.281 1.987 17.266 1.00 0.00 C ATOM 872 NE2 HIS A 61 5.250 1.161 17.280 1.00 0.00 N ATOM 0 H HIS A 61 1.519 5.673 17.911 1.00 0.00 H new ATOM 0 HA HIS A 61 3.975 5.795 16.406 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.249 5.072 18.613 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.791 4.100 18.593 1.00 0.00 H new ATOM 0 HD1 HIS A 61 6.421 4.044 17.568 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.108 1.481 17.624 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.309 1.712 17.081 1.00 0.00 H new ATOM 881 N PHE A 62 3.323 4.440 14.431 1.00 0.00 N ATOM 882 CA PHE A 62 3.090 3.570 13.284 1.00 0.00 C ATOM 883 C PHE A 62 4.405 3.013 12.747 1.00 0.00 C ATOM 884 O PHE A 62 5.067 3.619 11.905 1.00 0.00 O ATOM 885 CB PHE A 62 2.358 4.334 12.178 1.00 0.00 C ATOM 886 CG PHE A 62 0.998 4.824 12.587 1.00 0.00 C ATOM 887 CD1 PHE A 62 -0.092 3.968 12.583 1.00 0.00 C ATOM 888 CD2 PHE A 62 0.809 6.140 12.976 1.00 0.00 C ATOM 889 CE1 PHE A 62 -1.344 4.416 12.958 1.00 0.00 C ATOM 890 CE2 PHE A 62 -0.441 6.594 13.353 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.518 5.731 13.345 1.00 0.00 C ATOM 0 H PHE A 62 3.855 5.284 14.219 1.00 0.00 H new ATOM 0 HA PHE A 62 2.470 2.736 13.613 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.966 5.186 11.872 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.255 3.687 11.307 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.039 2.939 12.283 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.648 6.819 12.985 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.186 3.739 12.949 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.575 7.623 13.653 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.495 6.083 13.641 1.00 0.00 H new ATOM 901 N PRO A 63 4.793 1.831 13.247 1.00 0.00 N ATOM 902 CA PRO A 63 6.032 1.165 12.833 1.00 0.00 C ATOM 903 C PRO A 63 5.961 0.647 11.400 1.00 0.00 C ATOM 904 O PRO A 63 6.849 0.912 10.590 1.00 0.00 O ATOM 905 CB PRO A 63 6.154 -0.001 13.817 1.00 0.00 C ATOM 906 CG PRO A 63 4.757 -0.277 14.253 1.00 0.00 C ATOM 907 CD PRO A 63 4.053 1.052 14.254 1.00 0.00 C ATOM 0 HA PRO A 63 6.884 1.844 12.848 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.600 -0.875 13.342 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.789 0.260 14.664 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.268 -0.977 13.576 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.740 -0.728 15.245 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.001 0.949 13.989 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.090 1.526 15.235 1.00 0.00 H new ATOM 915 N ARG A 64 4.899 -0.092 11.095 1.00 0.00 N ATOM 916 CA ARG A 64 4.713 -0.647 9.760 1.00 0.00 C ATOM 917 C ARG A 64 4.831 0.441 8.697 1.00 0.00 C ATOM 918 O ARG A 64 5.519 0.269 7.690 1.00 0.00 O ATOM 919 CB ARG A 64 3.350 -1.332 9.655 1.00 0.00 C ATOM 920 CG ARG A 64 3.187 -2.513 10.598 1.00 0.00 C ATOM 921 CD ARG A 64 3.636 -3.812 9.948 1.00 0.00 C ATOM 922 NE ARG A 64 5.050 -3.781 9.584 1.00 0.00 N ATOM 923 CZ ARG A 64 6.035 -4.035 10.439 1.00 0.00 C ATOM 924 NH1 ARG A 64 5.760 -4.338 11.701 1.00 0.00 N ATOM 925 NH2 ARG A 64 7.297 -3.987 10.033 1.00 0.00 N ATOM 0 H ARG A 64 4.155 -0.320 11.754 1.00 0.00 H new ATOM 0 HA ARG A 64 5.497 -1.385 9.588 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.569 -0.601 9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.202 -1.673 8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.767 -2.339 11.504 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.143 -2.598 10.899 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.456 -4.641 10.632 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.036 -3.998 9.057 1.00 0.00 H new ATOM 0 HE ARG A 64 5.295 -3.552 8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.791 -4.376 12.017 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.518 -4.533 12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.512 -3.755 9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.052 -4.182 10.690 1.00 0.00 H new ATOM 939 N VAL A 65 4.155 1.562 8.928 1.00 0.00 N ATOM 940 CA VAL A 65 4.184 2.679 7.991 1.00 0.00 C ATOM 941 C VAL A 65 5.552 3.352 7.981 1.00 0.00 C ATOM 942 O VAL A 65 6.058 3.773 9.022 1.00 0.00 O ATOM 943 CB VAL A 65 3.110 3.728 8.335 1.00 0.00 C ATOM 944 CG1 VAL A 65 3.138 4.870 7.330 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.733 3.084 8.385 1.00 0.00 C ATOM 0 H VAL A 65 3.581 1.721 9.756 1.00 0.00 H new ATOM 0 HA VAL A 65 3.977 2.269 7.003 1.00 0.00 H new ATOM 0 HB VAL A 65 3.330 4.138 9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.372 5.601 7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.118 5.348 7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.944 4.480 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.987 3.840 8.629 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.501 2.645 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.723 2.305 9.147 1.00 0.00 H new ATOM 955 N THR A 66 6.148 3.453 6.796 1.00 0.00 N ATOM 956 CA THR A 66 7.458 4.074 6.650 1.00 0.00 C ATOM 957 C THR A 66 7.387 5.298 5.744 1.00 0.00 C ATOM 958 O THR A 66 7.263 5.175 4.525 1.00 0.00 O ATOM 959 CB THR A 66 8.489 3.084 6.076 1.00 0.00 C ATOM 960 OG1 THR A 66 8.652 1.975 6.968 1.00 0.00 O ATOM 961 CG2 THR A 66 9.831 3.766 5.857 1.00 0.00 C ATOM 0 H THR A 66 5.743 3.112 5.924 1.00 0.00 H new ATOM 0 HA THR A 66 7.776 4.380 7.647 1.00 0.00 H new ATOM 0 HB THR A 66 8.120 2.726 5.115 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.308 1.349 6.595 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.543 3.047 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.709 4.592 5.156 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.204 4.149 6.807 1.00 0.00 H new ATOM 969 N THR A 67 7.468 6.481 6.347 1.00 0.00 N ATOM 970 CA THR A 67 7.413 7.727 5.594 1.00 0.00 C ATOM 971 C THR A 67 8.454 7.744 4.480 1.00 0.00 C ATOM 972 O THR A 67 9.655 7.678 4.739 1.00 0.00 O ATOM 973 CB THR A 67 7.637 8.946 6.509 1.00 0.00 C ATOM 974 OG1 THR A 67 8.807 8.748 7.310 1.00 0.00 O ATOM 975 CG2 THR A 67 6.433 9.176 7.409 1.00 0.00 C ATOM 0 H THR A 67 7.572 6.601 7.355 1.00 0.00 H new ATOM 0 HA THR A 67 6.417 7.788 5.156 1.00 0.00 H new ATOM 0 HB THR A 67 7.772 9.825 5.879 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.478 8.256 6.792 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.615 10.042 8.046 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.550 9.355 6.796 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.270 8.296 8.031 1.00 0.00 H new ATOM 983 N VAL A 68 7.985 7.833 3.240 1.00 0.00 N ATOM 984 CA VAL A 68 8.876 7.860 2.086 1.00 0.00 C ATOM 985 C VAL A 68 9.677 9.156 2.041 1.00 0.00 C ATOM 986 O VAL A 68 10.894 9.139 1.857 1.00 0.00 O ATOM 987 CB VAL A 68 8.092 7.708 0.768 1.00 0.00 C ATOM 988 CG1 VAL A 68 9.034 7.777 -0.424 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.307 6.405 0.763 1.00 0.00 C ATOM 0 H VAL A 68 6.993 7.888 3.008 1.00 0.00 H new ATOM 0 HA VAL A 68 9.559 7.017 2.193 1.00 0.00 H new ATOM 0 HB VAL A 68 7.384 8.533 0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.463 7.668 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.547 8.739 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.768 6.974 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.759 6.314 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.995 5.565 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.604 6.401 1.596 1.00 0.00 H new ATOM 999 N SER A 69 8.987 10.279 2.210 1.00 0.00 N ATOM 1000 CA SER A 69 9.634 11.586 2.186 1.00 0.00 C ATOM 1001 C SER A 69 9.778 12.147 3.597 1.00 0.00 C ATOM 1002 O SER A 69 8.979 11.842 4.482 1.00 0.00 O ATOM 1003 CB SER A 69 8.834 12.558 1.317 1.00 0.00 C ATOM 1004 OG SER A 69 7.528 12.749 1.835 1.00 0.00 O ATOM 0 H SER A 69 7.979 10.310 2.365 1.00 0.00 H new ATOM 0 HA SER A 69 10.630 11.464 1.760 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.352 13.516 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.772 12.174 0.299 1.00 0.00 H new ATOM 0 HG SER A 69 7.284 13.696 1.767 1.00 0.00 H new ATOM 1010 N GLU A 70 10.803 12.969 3.799 1.00 0.00 N ATOM 1011 CA GLU A 70 11.052 13.573 5.102 1.00 0.00 C ATOM 1012 C GLU A 70 10.026 14.661 5.404 1.00 0.00 C ATOM 1013 O GLU A 70 10.058 15.742 4.814 1.00 0.00 O ATOM 1014 CB GLU A 70 12.464 14.160 5.155 1.00 0.00 C ATOM 1015 CG GLU A 70 12.896 14.581 6.550 1.00 0.00 C ATOM 1016 CD GLU A 70 13.175 13.398 7.457 1.00 0.00 C ATOM 1017 OE1 GLU A 70 13.899 12.476 7.025 1.00 0.00 O ATOM 1018 OE2 GLU A 70 12.668 13.394 8.598 1.00 0.00 O ATOM 0 H GLU A 70 11.474 13.232 3.077 1.00 0.00 H new ATOM 0 HA GLU A 70 10.961 12.793 5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.170 13.423 4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.515 15.024 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.792 15.198 6.478 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.118 15.200 6.996 1.00 0.00 H new ATOM 1025 N LEU A 71 9.115 14.367 6.325 1.00 0.00 N ATOM 1026 CA LEU A 71 8.077 15.319 6.706 1.00 0.00 C ATOM 1027 C LEU A 71 8.661 16.459 7.535 1.00 0.00 C ATOM 1028 O LEU A 71 8.402 17.633 7.268 1.00 0.00 O ATOM 1029 CB LEU A 71 6.974 14.613 7.495 1.00 0.00 C ATOM 1030 CG LEU A 71 6.232 13.496 6.759 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.262 12.792 7.695 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.497 14.053 5.548 1.00 0.00 C ATOM 0 H LEU A 71 9.074 13.477 6.822 1.00 0.00 H new ATOM 0 HA LEU A 71 7.651 15.738 5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.413 14.195 8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.245 15.360 7.810 1.00 0.00 H new ATOM 0 HG LEU A 71 6.964 12.767 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.743 12.001 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.812 12.360 8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.534 13.510 8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.975 13.245 5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.776 14.803 5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.214 14.511 4.866 1.00 0.00 H new ATOM 1118 N ASN A 76 6.930 20.194 2.793 1.00 0.00 N ATOM 1119 CA ASN A 76 6.908 18.873 2.175 1.00 0.00 C ATOM 1120 C ASN A 76 5.523 18.553 1.623 1.00 0.00 C ATOM 1121 O ASN A 76 4.595 18.257 2.377 1.00 0.00 O ATOM 1122 CB ASN A 76 7.324 17.806 3.190 1.00 0.00 C ATOM 1123 CG ASN A 76 7.090 16.398 2.677 1.00 0.00 C ATOM 1124 OD1 ASN A 76 7.771 15.938 1.760 1.00 0.00 O ATOM 1125 ND2 ASN A 76 6.123 15.706 3.268 1.00 0.00 N ATOM 0 HA ASN A 76 7.617 18.875 1.347 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.379 17.931 3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.765 17.950 4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.920 14.753 2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.584 16.127 4.024 1.00 0.00 H new ATOM 1132 N LEU A 77 5.390 18.614 0.302 1.00 0.00 N ATOM 1133 CA LEU A 77 4.118 18.330 -0.352 1.00 0.00 C ATOM 1134 C LEU A 77 3.900 16.826 -0.491 1.00 0.00 C ATOM 1135 O LEU A 77 2.780 16.335 -0.343 1.00 0.00 O ATOM 1136 CB LEU A 77 4.072 18.992 -1.731 1.00 0.00 C ATOM 1137 CG LEU A 77 3.744 20.485 -1.747 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.907 21.052 -3.149 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.333 20.727 -1.232 1.00 0.00 C ATOM 0 H LEU A 77 6.147 18.858 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 77 3.320 18.739 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.038 18.847 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.331 18.471 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 77 4.443 20.998 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.669 22.116 -3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.936 20.913 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.233 20.535 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.117 21.795 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.619 20.201 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.251 20.358 -0.210 1.00 0.00 H new ATOM 1151 N ASP A 78 4.977 16.101 -0.772 1.00 0.00 N ATOM 1152 CA ASP A 78 4.904 14.653 -0.927 1.00 0.00 C ATOM 1153 C ASP A 78 4.438 13.991 0.366 1.00 0.00 C ATOM 1154 O ASP A 78 5.080 14.120 1.409 1.00 0.00 O ATOM 1155 CB ASP A 78 6.267 14.094 -1.338 1.00 0.00 C ATOM 1156 CG ASP A 78 6.165 12.710 -1.949 1.00 0.00 C ATOM 1157 OD1 ASP A 78 5.714 11.783 -1.245 1.00 0.00 O ATOM 1158 OD2 ASP A 78 6.536 12.554 -3.131 1.00 0.00 O ATOM 0 H ASP A 78 5.911 16.492 -0.897 1.00 0.00 H new ATOM 0 HA ASP A 78 4.178 14.432 -1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.733 14.771 -2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.919 14.056 -0.465 1.00 0.00 H new ATOM 1163 N PHE A 79 3.316 13.283 0.292 1.00 0.00 N ATOM 1164 CA PHE A 79 2.763 12.602 1.456 1.00 0.00 C ATOM 1165 C PHE A 79 2.538 11.121 1.165 1.00 0.00 C ATOM 1166 O PHE A 79 1.511 10.553 1.538 1.00 0.00 O ATOM 1167 CB PHE A 79 1.445 13.256 1.878 1.00 0.00 C ATOM 1168 CG PHE A 79 1.610 14.658 2.393 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.242 14.895 3.603 1.00 0.00 C ATOM 1170 CD2 PHE A 79 1.133 15.737 1.667 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.394 16.184 4.079 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.283 17.028 2.138 1.00 0.00 C ATOM 1173 CZ PHE A 79 1.915 17.251 3.346 1.00 0.00 C ATOM 0 H PHE A 79 2.772 13.166 -0.563 1.00 0.00 H new ATOM 0 HA PHE A 79 3.482 12.689 2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.765 13.268 1.026 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.977 12.646 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.620 14.064 4.180 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.638 15.568 0.722 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.887 16.356 5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.907 17.861 1.563 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.034 18.259 3.716 1.00 0.00 H new ATOM 1183 N SER A 80 3.505 10.502 0.496 1.00 0.00 N ATOM 1184 CA SER A 80 3.412 9.089 0.150 1.00 0.00 C ATOM 1185 C SER A 80 4.099 8.225 1.203 1.00 0.00 C ATOM 1186 O SER A 80 5.238 8.487 1.589 1.00 0.00 O ATOM 1187 CB SER A 80 4.039 8.835 -1.222 1.00 0.00 C ATOM 1188 OG SER A 80 3.762 9.901 -2.114 1.00 0.00 O ATOM 0 H SER A 80 4.362 10.957 0.183 1.00 0.00 H new ATOM 0 HA SER A 80 2.357 8.818 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.117 8.716 -1.116 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.654 7.902 -1.634 1.00 0.00 H new ATOM 0 HG SER A 80 4.371 10.647 -1.932 1.00 0.00 H new ATOM 1194 N ILE A 81 3.397 7.195 1.664 1.00 0.00 N ATOM 1195 CA ILE A 81 3.939 6.292 2.672 1.00 0.00 C ATOM 1196 C ILE A 81 4.109 4.883 2.113 1.00 0.00 C ATOM 1197 O ILE A 81 3.649 4.581 1.012 1.00 0.00 O ATOM 1198 CB ILE A 81 3.037 6.232 3.918 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.601 5.884 3.519 1.00 0.00 C ATOM 1200 CG2 ILE A 81 3.078 7.557 4.666 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.807 5.231 4.629 1.00 0.00 C ATOM 0 H ILE A 81 2.452 6.965 1.356 1.00 0.00 H new ATOM 0 HA ILE A 81 4.914 6.687 2.958 1.00 0.00 H new ATOM 0 HB ILE A 81 3.410 5.451 4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.089 6.793 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.623 5.216 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.435 7.499 5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.101 7.767 4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.727 8.355 4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.201 5.012 4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.296 4.304 4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.753 5.906 5.483 1.00 0.00 H new ATOM 1213 N SER A 82 4.771 4.024 2.881 1.00 0.00 N ATOM 1214 CA SER A 82 5.004 2.646 2.462 1.00 0.00 C ATOM 1215 C SER A 82 4.706 1.675 3.601 1.00 0.00 C ATOM 1216 O SER A 82 5.450 1.602 4.579 1.00 0.00 O ATOM 1217 CB SER A 82 6.449 2.471 1.992 1.00 0.00 C ATOM 1218 OG SER A 82 7.364 2.904 2.983 1.00 0.00 O ATOM 0 H SER A 82 5.156 4.257 3.796 1.00 0.00 H new ATOM 0 HA SER A 82 4.331 2.425 1.633 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.633 1.423 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.607 3.037 1.074 1.00 0.00 H new ATOM 0 HG SER A 82 7.059 3.756 3.360 1.00 0.00 H new ATOM 1224 N ILE A 83 3.614 0.930 3.464 1.00 0.00 N ATOM 1225 CA ILE A 83 3.218 -0.037 4.480 1.00 0.00 C ATOM 1226 C ILE A 83 3.803 -1.414 4.185 1.00 0.00 C ATOM 1227 O ILE A 83 3.437 -2.058 3.201 1.00 0.00 O ATOM 1228 CB ILE A 83 1.686 -0.154 4.580 1.00 0.00 C ATOM 1229 CG1 ILE A 83 1.058 1.231 4.753 1.00 0.00 C ATOM 1230 CG2 ILE A 83 1.298 -1.065 5.735 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.437 1.249 4.520 1.00 0.00 C ATOM 0 H ILE A 83 2.988 0.978 2.660 1.00 0.00 H new ATOM 0 HA ILE A 83 3.609 0.326 5.430 1.00 0.00 H new ATOM 0 HB ILE A 83 1.309 -0.591 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.265 1.592 5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.534 1.926 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.212 -1.137 5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.720 -2.057 5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.684 -0.654 6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.815 2.262 4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.651 0.919 3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.924 0.579 5.229 1.00 0.00 H new ATOM 1243 N SER A 84 4.713 -1.861 5.045 1.00 0.00 N ATOM 1244 CA SER A 84 5.351 -3.162 4.875 1.00 0.00 C ATOM 1245 C SER A 84 4.523 -4.262 5.532 1.00 0.00 C ATOM 1246 O SER A 84 3.768 -4.010 6.470 1.00 0.00 O ATOM 1247 CB SER A 84 6.760 -3.144 5.470 1.00 0.00 C ATOM 1248 OG SER A 84 7.251 -4.460 5.659 1.00 0.00 O ATOM 0 H SER A 84 5.025 -1.342 5.866 1.00 0.00 H new ATOM 0 HA SER A 84 5.418 -3.370 3.807 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.430 -2.594 4.809 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.749 -2.616 6.424 1.00 0.00 H new ATOM 0 HG SER A 84 8.154 -4.421 6.039 1.00 0.00 H new ATOM 1254 N ASN A 85 4.672 -5.485 5.032 1.00 0.00 N ATOM 1255 CA ASN A 85 3.939 -6.625 5.569 1.00 0.00 C ATOM 1256 C ASN A 85 2.461 -6.545 5.197 1.00 0.00 C ATOM 1257 O ASN A 85 1.587 -6.714 6.048 1.00 0.00 O ATOM 1258 CB ASN A 85 4.091 -6.685 7.090 1.00 0.00 C ATOM 1259 CG ASN A 85 3.847 -8.077 7.641 1.00 0.00 C ATOM 1260 OD1 ASN A 85 4.675 -8.974 7.481 1.00 0.00 O ATOM 1261 ND2 ASN A 85 2.706 -8.263 8.294 1.00 0.00 N ATOM 0 H ASN A 85 5.294 -5.711 4.256 1.00 0.00 H new ATOM 0 HA ASN A 85 4.357 -7.532 5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.094 -6.359 7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.391 -5.987 7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.487 -9.178 8.687 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.049 -7.491 8.403 1.00 0.00 H new ATOM 1268 N ILE A 86 2.191 -6.288 3.922 1.00 0.00 N ATOM 1269 CA ILE A 86 0.820 -6.188 3.437 1.00 0.00 C ATOM 1270 C ILE A 86 0.053 -7.482 3.686 1.00 0.00 C ATOM 1271 O ILE A 86 0.600 -8.577 3.553 1.00 0.00 O ATOM 1272 CB ILE A 86 0.777 -5.860 1.933 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.165 -4.399 1.696 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.607 -6.144 1.368 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.253 -3.411 2.389 1.00 0.00 C ATOM 0 H ILE A 86 2.903 -6.145 3.206 1.00 0.00 H new ATOM 0 HA ILE A 86 0.348 -5.376 3.991 1.00 0.00 H new ATOM 0 HB ILE A 86 1.496 -6.496 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.187 -4.242 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.157 -4.199 0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.621 -5.907 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.848 -7.198 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.344 -5.531 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.588 -2.396 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.766 -3.540 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.279 -3.584 3.465 1.00 0.00 H new ATOM 1287 N THR A 87 -1.220 -7.349 4.047 1.00 0.00 N ATOM 1288 CA THR A 87 -2.063 -8.508 4.313 1.00 0.00 C ATOM 1289 C THR A 87 -3.284 -8.521 3.401 1.00 0.00 C ATOM 1290 O THR A 87 -3.763 -7.480 2.949 1.00 0.00 O ATOM 1291 CB THR A 87 -2.533 -8.535 5.780 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.283 -7.352 6.076 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.346 -8.639 6.727 1.00 0.00 C ATOM 0 H THR A 87 -1.689 -6.451 4.162 1.00 0.00 H new ATOM 0 HA THR A 87 -1.456 -9.392 4.116 1.00 0.00 H new ATOM 0 HB THR A 87 -3.167 -9.411 5.919 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.669 -6.598 6.202 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.703 -8.656 7.757 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.794 -9.555 6.519 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.691 -7.780 6.585 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.802 -9.726 3.121 1.00 0.00 N ATOM 1302 CA PRO A 88 -4.976 -9.903 2.261 1.00 0.00 C ATOM 1303 C PRO A 88 -6.256 -9.396 2.914 1.00 0.00 C ATOM 1304 O PRO A 88 -7.341 -9.503 2.343 1.00 0.00 O ATOM 1305 CB PRO A 88 -5.042 -11.419 2.060 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.360 -11.990 3.255 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.283 -11.009 3.625 1.00 0.00 C ATOM 0 HA PRO A 88 -4.889 -9.339 1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.073 -11.764 1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.543 -11.718 1.139 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.063 -12.127 4.077 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.936 -12.969 3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.118 -10.981 4.702 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.330 -11.266 3.163 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.123 -8.842 4.115 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.269 -8.315 4.845 1.00 0.00 C ATOM 1317 C ALA A 89 -7.223 -6.793 4.916 1.00 0.00 C ATOM 1318 O ALA A 89 -8.162 -6.155 5.394 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.321 -8.909 6.246 1.00 0.00 C ATOM 0 H ALA A 89 -5.232 -8.747 4.603 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.173 -8.600 4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.182 -8.507 6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.410 -9.993 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.408 -8.653 6.784 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.127 -6.216 4.436 1.00 0.00 N ATOM 1326 CA ASP A 90 -5.959 -4.767 4.444 1.00 0.00 C ATOM 1327 C ASP A 90 -6.413 -4.160 3.121 1.00 0.00 C ATOM 1328 O ASP A 90 -6.660 -2.958 3.030 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.498 -4.404 4.711 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.197 -4.263 6.191 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -4.876 -3.457 6.860 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.282 -4.958 6.679 1.00 0.00 O ATOM 0 H ASP A 90 -5.341 -6.729 4.036 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.579 -4.358 5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.852 -5.171 4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.261 -3.469 4.204 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.521 -5.000 2.096 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.947 -4.547 0.778 1.00 0.00 C ATOM 1339 C ALA A 91 -8.203 -3.688 0.872 1.00 0.00 C ATOM 1340 O ALA A 91 -8.824 -3.593 1.930 1.00 0.00 O ATOM 1341 CB ALA A 91 -7.186 -5.738 -0.138 1.00 0.00 C ATOM 0 H ALA A 91 -6.319 -5.998 2.154 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.150 -3.934 0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.504 -5.385 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.264 -6.310 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.962 -6.374 0.287 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.573 -3.064 -0.242 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.754 -2.220 -0.263 1.00 0.00 C ATOM 1349 C GLY A 92 -9.527 -0.924 -1.015 1.00 0.00 C ATOM 1350 O GLY A 92 -9.362 -0.925 -2.235 1.00 0.00 O ATOM 0 H GLY A 92 -8.076 -3.128 -1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.578 -2.765 -0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.054 -1.995 0.760 1.00 0.00 H new ATOM 1354 N THR A 93 -9.520 0.188 -0.286 1.00 0.00 N ATOM 1355 CA THR A 93 -9.315 1.498 -0.891 1.00 0.00 C ATOM 1356 C THR A 93 -8.858 2.518 0.146 1.00 0.00 C ATOM 1357 O THR A 93 -9.604 2.860 1.064 1.00 0.00 O ATOM 1358 CB THR A 93 -10.600 2.011 -1.568 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.239 0.945 -2.278 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.288 3.150 -2.527 1.00 0.00 C ATOM 0 H THR A 93 -9.654 0.207 0.725 1.00 0.00 H new ATOM 0 HA THR A 93 -8.538 1.379 -1.646 1.00 0.00 H new ATOM 0 HB THR A 93 -11.270 2.383 -0.792 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.563 0.304 -2.583 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.210 3.496 -2.993 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.828 3.972 -1.978 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.601 2.799 -3.298 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.630 3.000 -0.006 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.073 3.980 0.919 1.00 0.00 C ATOM 1370 C TYR A 94 -7.297 5.400 0.407 1.00 0.00 C ATOM 1371 O TYR A 94 -6.772 5.785 -0.638 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.578 3.728 1.122 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.265 2.358 1.678 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.556 1.209 0.951 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.679 2.210 2.929 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.272 -0.046 1.455 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.390 0.959 3.439 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.689 -0.165 2.699 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.404 -1.413 3.204 1.00 0.00 O ATOM 0 H TYR A 94 -7.001 2.728 -0.761 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.585 3.873 1.875 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.065 3.850 0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.179 4.485 1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.012 1.299 -0.024 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.445 3.088 3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.505 -0.929 0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.932 0.862 4.412 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.203 -1.978 3.149 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.079 6.173 1.152 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.374 7.550 0.774 1.00 0.00 C ATOM 1391 C TYR A 95 -7.513 8.529 1.566 1.00 0.00 C ATOM 1392 O TYR A 95 -7.631 8.631 2.788 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.855 7.857 1.002 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.788 6.934 0.251 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.126 5.688 0.763 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.331 7.309 -0.972 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.977 4.842 0.079 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.184 6.470 -1.662 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.504 5.237 -1.133 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.353 4.397 -1.816 1.00 0.00 O ATOM 0 H TYR A 95 -8.520 5.870 2.020 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.144 7.666 -0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.071 7.789 2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.055 8.885 0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.716 5.375 1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.082 8.273 -1.390 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.229 3.876 0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.598 6.778 -2.611 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.636 4.826 -2.651 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.645 9.248 0.862 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.763 10.219 1.496 1.00 0.00 C ATOM 1412 C CYS A 96 -6.539 11.463 1.921 1.00 0.00 C ATOM 1413 O CYS A 96 -6.730 12.388 1.132 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.632 10.611 0.543 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.083 11.080 1.379 1.00 0.00 S ATOM 0 H CYS A 96 -6.534 9.176 -0.149 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.335 9.757 2.386 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.431 9.776 -0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.965 11.444 -0.076 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.983 11.477 3.174 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.736 12.607 3.705 1.00 0.00 C ATOM 1422 C VAL A 97 -6.806 13.739 4.125 1.00 0.00 C ATOM 1423 O VAL A 97 -5.885 13.539 4.917 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.597 12.189 4.912 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.310 13.396 5.502 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.595 11.115 4.508 1.00 0.00 C ATOM 0 H VAL A 97 -6.834 10.719 3.840 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.389 12.956 2.905 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.942 11.774 5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.913 13.082 6.354 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.573 14.129 5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.955 13.843 4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.195 10.832 5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.247 11.501 3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.059 10.242 4.136 1.00 0.00 H new ATOM 1436 N LYS A 98 -7.054 14.930 3.590 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.240 16.097 3.910 1.00 0.00 C ATOM 1438 C LYS A 98 -6.889 16.927 5.013 1.00 0.00 C ATOM 1439 O LYS A 98 -7.592 17.900 4.739 1.00 0.00 O ATOM 1440 CB LYS A 98 -6.034 16.958 2.662 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.334 18.277 2.942 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.909 18.061 3.423 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.389 19.269 4.187 1.00 0.00 C ATOM 1444 NZ LYS A 98 -1.915 19.423 4.044 1.00 0.00 N ATOM 0 H LYS A 98 -7.812 15.112 2.933 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.271 15.747 4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.451 16.394 1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.003 17.160 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.325 18.885 2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.892 18.834 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.870 17.180 4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.262 17.863 2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.885 20.169 3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.643 19.168 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.465 19.339 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.548 18.681 3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.701 20.357 3.639 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.649 16.537 6.260 1.00 0.00 N ATOM 1459 CA PHE A 99 -7.210 17.246 7.404 1.00 0.00 C ATOM 1460 C PHE A 99 -6.618 18.647 7.520 1.00 0.00 C ATOM 1461 O PHE A 99 -5.400 18.823 7.483 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.952 16.463 8.693 1.00 0.00 C ATOM 1463 CG PHE A 99 -8.069 15.529 9.062 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -8.115 14.244 8.546 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -9.074 15.937 9.924 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -9.141 13.383 8.883 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -10.103 15.079 10.266 1.00 0.00 C ATOM 1468 CZ PHE A 99 -10.137 13.801 9.743 1.00 0.00 C ATOM 0 H PHE A 99 -6.070 15.734 6.504 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.285 17.337 7.251 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.032 15.890 8.582 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.793 17.167 9.510 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.339 13.912 7.872 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.053 16.936 10.333 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.164 12.384 8.474 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.879 15.408 10.941 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.941 13.130 10.006 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.489 19.642 7.659 1.00 0.00 N ATOM 1479 CA ARG A 100 -7.053 21.028 7.778 1.00 0.00 C ATOM 1480 C ARG A 100 -6.808 21.397 9.239 1.00 0.00 C ATOM 1481 O ARG A 100 -7.635 21.121 10.108 1.00 0.00 O ATOM 1482 CB ARG A 100 -8.097 21.967 7.172 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.299 22.205 8.072 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.430 22.889 7.321 1.00 0.00 C ATOM 1485 NE ARG A 100 -11.367 23.549 8.226 1.00 0.00 N ATOM 1486 CZ ARG A 100 -11.053 24.608 8.965 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -9.833 25.124 8.906 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -11.961 25.152 9.765 1.00 0.00 N ATOM 0 H ARG A 100 -8.500 19.514 7.692 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.116 21.136 7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.626 22.924 6.949 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.440 21.552 6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.649 21.254 8.472 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.002 22.819 8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.015 23.623 6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.964 22.153 6.720 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.314 23.177 8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.133 24.708 8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.595 25.937 9.474 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.900 24.757 9.813 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.720 25.965 10.332 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.666 22.024 9.502 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.311 22.432 10.855 1.00 0.00 C ATOM 1504 C LYS A 101 -6.464 23.181 11.518 1.00 0.00 C ATOM 1505 O LYS A 101 -6.742 24.332 11.185 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.062 23.316 10.833 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.248 23.251 12.113 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.033 24.162 12.048 1.00 0.00 C ATOM 1509 CE LYS A 101 -1.545 24.539 13.439 1.00 0.00 C ATOM 1510 NZ LYS A 101 -2.395 25.592 14.058 1.00 0.00 N ATOM 0 H LYS A 101 -4.970 22.260 8.795 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.102 21.533 11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.431 23.018 9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.361 24.349 10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.874 23.537 12.958 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.925 22.225 12.288 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.232 23.663 11.503 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.283 25.065 11.492 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.542 23.654 14.075 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.515 24.892 13.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.973 25.894 14.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.460 26.408 13.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.347 25.212 14.232 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.131 22.519 12.458 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.245 23.138 13.153 1.00 0.00 C ATOM 1526 C GLY A 102 -8.254 22.818 14.634 1.00 0.00 C ATOM 1527 O GLY A 102 -7.444 22.022 15.110 1.00 0.00 O ATOM 0 H GLY A 102 -6.920 21.565 12.751 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.198 24.219 13.018 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.180 22.801 12.706 1.00 0.00 H new ATOM 1531 N SER A 103 -9.171 23.441 15.367 1.00 0.00 N ATOM 1532 CA SER A 103 -9.279 23.223 16.805 1.00 0.00 C ATOM 1533 C SER A 103 -10.714 22.887 17.198 1.00 0.00 C ATOM 1534 O SER A 103 -11.675 23.303 16.550 1.00 0.00 O ATOM 1535 CB SER A 103 -8.806 24.462 17.567 1.00 0.00 C ATOM 1536 OG SER A 103 -7.392 24.563 17.550 1.00 0.00 O ATOM 0 H SER A 103 -9.850 24.101 14.989 1.00 0.00 H new ATOM 0 HA SER A 103 -8.642 22.378 17.068 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.243 25.356 17.121 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.158 24.415 18.598 1.00 0.00 H new ATOM 0 HG SER A 103 -7.115 25.364 18.042 1.00 0.00 H new ATOM 1542 N PRO A 104 -10.864 22.117 18.285 1.00 0.00 N ATOM 1543 CA PRO A 104 -9.728 21.616 19.064 1.00 0.00 C ATOM 1544 C PRO A 104 -8.926 20.562 18.307 1.00 0.00 C ATOM 1545 O PRO A 104 -7.921 20.057 18.806 1.00 0.00 O ATOM 1546 CB PRO A 104 -10.388 21.001 20.300 1.00 0.00 C ATOM 1547 CG PRO A 104 -11.763 20.638 19.854 1.00 0.00 C ATOM 1548 CD PRO A 104 -12.156 21.675 18.838 1.00 0.00 C ATOM 0 HA PRO A 104 -9.013 22.405 19.295 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.840 20.125 20.647 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.414 21.709 21.128 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -11.781 19.639 19.419 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.457 20.632 20.694 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -12.802 21.257 18.066 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -12.701 22.501 19.296 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.378 20.235 17.102 1.00 0.00 N ATOM 1557 CA ASP A 105 -8.701 19.242 16.275 1.00 0.00 C ATOM 1558 C ASP A 105 -8.895 19.545 14.793 1.00 0.00 C ATOM 1559 O ASP A 105 -9.743 20.357 14.421 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.224 17.841 16.595 1.00 0.00 C ATOM 1561 CG ASP A 105 -10.593 17.583 15.997 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -11.359 18.554 15.828 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -10.897 16.410 15.696 1.00 0.00 O ATOM 0 H ASP A 105 -10.210 20.643 16.676 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.635 19.284 16.498 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -8.520 17.099 16.218 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.273 17.713 17.676 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.104 18.889 13.952 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.188 19.088 12.509 1.00 0.00 C ATOM 1570 C ASP A 106 -9.588 18.766 11.997 1.00 0.00 C ATOM 1571 O ASP A 106 -10.422 18.235 12.732 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.156 18.218 11.792 1.00 0.00 C ATOM 1573 CG ASP A 106 -5.860 18.095 12.570 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -5.191 19.129 12.774 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -5.515 16.965 12.973 1.00 0.00 O ATOM 0 H ASP A 106 -7.397 18.214 14.244 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.976 20.136 12.298 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.574 17.225 11.628 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.948 18.642 10.810 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.840 19.090 10.733 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.139 18.835 10.123 1.00 0.00 C ATOM 1582 C VAL A 107 -10.985 18.341 8.689 1.00 0.00 C ATOM 1583 O VAL A 107 -10.126 18.818 7.947 1.00 0.00 O ATOM 1584 CB VAL A 107 -12.020 20.099 10.127 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.267 19.884 9.284 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.389 20.486 11.551 1.00 0.00 C ATOM 0 H VAL A 107 -9.161 19.530 10.111 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.623 18.063 10.721 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.451 20.919 9.688 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.877 20.787 9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.978 19.658 8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.842 19.052 9.690 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.011 21.381 11.535 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.939 19.670 12.019 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.481 20.685 12.121 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.824 17.384 8.304 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.780 16.826 6.958 1.00 0.00 C ATOM 1598 C GLU A 108 -12.072 17.900 5.914 1.00 0.00 C ATOM 1599 O GLU A 108 -13.227 18.251 5.675 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.786 15.681 6.824 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.727 14.973 5.480 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.607 13.739 5.432 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -13.423 12.846 6.285 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -14.479 13.666 4.541 1.00 0.00 O ATOM 0 H GLU A 108 -12.542 16.979 8.905 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.776 16.440 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.605 14.955 7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.792 16.073 6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.034 15.665 4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.696 14.688 5.268 1.00 0.00 H new ATOM 1611 N PHE A 109 -11.016 18.418 5.296 1.00 0.00 N ATOM 1612 CA PHE A 109 -11.158 19.453 4.278 1.00 0.00 C ATOM 1613 C PHE A 109 -11.233 18.838 2.884 1.00 0.00 C ATOM 1614 O PHE A 109 -12.129 19.154 2.100 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.986 20.435 4.352 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.920 21.378 3.185 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.702 22.521 3.155 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.074 21.121 2.118 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.643 23.389 2.082 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.010 21.987 1.042 1.00 0.00 C ATOM 1621 CZ PHE A 109 -9.795 23.123 1.025 1.00 0.00 C ATOM 0 H PHE A 109 -10.053 18.138 5.482 1.00 0.00 H new ATOM 0 HA PHE A 109 -12.087 19.991 4.469 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -10.065 21.014 5.272 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -9.054 19.873 4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.365 22.736 3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.458 20.234 2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.260 24.275 2.070 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.347 21.775 0.216 1.00 0.00 H new ATOM 0 HZ PHE A 109 -9.746 23.802 0.187 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.286 17.958 2.580 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.243 17.297 1.281 1.00 0.00 C ATOM 1633 C LYS A 110 -10.233 15.780 1.442 1.00 0.00 C ATOM 1634 O LYS A 110 -10.072 15.265 2.549 1.00 0.00 O ATOM 1635 CB LYS A 110 -9.007 17.745 0.498 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.247 17.873 -0.996 1.00 0.00 C ATOM 1637 CD LYS A 110 -9.676 19.281 -1.373 1.00 0.00 C ATOM 1638 CE LYS A 110 -11.044 19.619 -0.800 1.00 0.00 C ATOM 1639 NZ LYS A 110 -11.606 20.860 -1.401 1.00 0.00 N ATOM 0 H LYS A 110 -9.537 17.685 3.216 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.139 17.580 0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.669 18.706 0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.201 17.031 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.336 17.612 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -10.014 17.163 -1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.940 19.997 -1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.701 19.376 -2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.727 18.788 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.965 19.742 0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.539 21.056 -0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.967 21.658 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.706 20.734 -2.429 1.00 0.00 H new ATOM 1653 N SER A 111 -10.405 15.070 0.332 1.00 0.00 N ATOM 1654 CA SER A 111 -10.418 13.612 0.351 1.00 0.00 C ATOM 1655 C SER A 111 -9.811 13.046 -0.929 1.00 0.00 C ATOM 1656 O SER A 111 -10.243 13.377 -2.033 1.00 0.00 O ATOM 1657 CB SER A 111 -11.848 13.096 0.523 1.00 0.00 C ATOM 1658 OG SER A 111 -11.931 11.713 0.223 1.00 0.00 O ATOM 0 H SER A 111 -10.537 15.481 -0.592 1.00 0.00 H new ATOM 0 HA SER A 111 -9.815 13.279 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.180 13.270 1.547 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.520 13.654 -0.129 1.00 0.00 H new ATOM 0 HG SER A 111 -12.854 11.407 0.342 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.806 12.190 -0.772 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.155 11.591 -1.923 1.00 0.00 C ATOM 1666 C GLY A 112 -9.086 10.693 -2.713 1.00 0.00 C ATOM 1667 O GLY A 112 -9.882 9.952 -2.137 1.00 0.00 O ATOM 0 H GLY A 112 -8.431 11.901 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.777 12.379 -2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.294 11.012 -1.589 1.00 0.00 H new ATOM 1671 N ALA A 113 -8.987 10.759 -4.037 1.00 0.00 N ATOM 1672 CA ALA A 113 -9.827 9.945 -4.907 1.00 0.00 C ATOM 1673 C ALA A 113 -10.042 8.555 -4.319 1.00 0.00 C ATOM 1674 O ALA A 113 -11.151 8.022 -4.349 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.208 9.844 -6.293 1.00 0.00 C ATOM 0 H ALA A 113 -8.334 11.368 -4.530 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.800 10.430 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -9.845 9.233 -6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.112 10.841 -6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.222 9.385 -6.219 1.00 0.00 H new ATOM 1681 N GLY A 114 -8.973 7.971 -3.785 1.00 0.00 N ATOM 1682 CA GLY A 114 -9.067 6.647 -3.198 1.00 0.00 C ATOM 1683 C GLY A 114 -8.185 5.637 -3.904 1.00 0.00 C ATOM 1684 O GLY A 114 -8.524 5.153 -4.985 1.00 0.00 O ATOM 0 H GLY A 114 -8.044 8.391 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.786 6.698 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.103 6.309 -3.235 1.00 0.00 H new ATOM 1688 N THR A 115 -7.048 5.317 -3.295 1.00 0.00 N ATOM 1689 CA THR A 115 -6.113 4.360 -3.873 1.00 0.00 C ATOM 1690 C THR A 115 -6.531 2.927 -3.562 1.00 0.00 C ATOM 1691 O THR A 115 -6.386 2.461 -2.432 1.00 0.00 O ATOM 1692 CB THR A 115 -4.681 4.589 -3.354 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.260 5.925 -3.652 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.713 3.596 -3.979 1.00 0.00 C ATOM 0 H THR A 115 -6.752 5.707 -2.400 1.00 0.00 H new ATOM 0 HA THR A 115 -6.129 4.515 -4.952 1.00 0.00 H new ATOM 0 HB THR A 115 -4.682 4.441 -2.274 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.034 5.992 -4.603 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.708 3.778 -3.597 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.019 2.581 -3.726 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.717 3.717 -5.062 1.00 0.00 H new ATOM 1702 N GLU A 116 -7.049 2.234 -4.571 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.487 0.853 -4.403 1.00 0.00 C ATOM 1704 C GLU A 116 -6.291 -0.093 -4.340 1.00 0.00 C ATOM 1705 O GLU A 116 -5.500 -0.175 -5.280 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.414 0.446 -5.551 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.763 -1.033 -5.555 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.483 -1.458 -6.820 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -8.799 -1.755 -7.822 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -10.732 -1.494 -6.808 1.00 0.00 O ATOM 0 H GLU A 116 -7.176 2.606 -5.512 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.033 0.783 -3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.334 1.028 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.939 0.701 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.850 -1.618 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.390 -1.257 -4.692 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.167 -0.806 -3.226 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.068 -1.747 -3.038 1.00 0.00 C ATOM 1719 C LEU A 117 -5.415 -3.112 -3.623 1.00 0.00 C ATOM 1720 O LEU A 117 -6.542 -3.588 -3.489 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.738 -1.885 -1.551 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.495 -2.710 -1.214 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.240 -2.015 -1.719 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.406 -2.951 0.286 1.00 0.00 C ATOM 0 H LEU A 117 -6.814 -0.751 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.195 -1.359 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.611 -0.886 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.595 -2.334 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.577 -3.676 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.366 -2.617 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.301 -1.894 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.152 -1.036 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.516 -3.540 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.347 -1.994 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.291 -3.492 0.621 1.00 0.00 H new ATOM 1736 N SER A 118 -4.437 -3.739 -4.270 1.00 0.00 N ATOM 1737 CA SER A 118 -4.639 -5.049 -4.877 1.00 0.00 C ATOM 1738 C SER A 118 -3.713 -6.087 -4.250 1.00 0.00 C ATOM 1739 O SER A 118 -2.709 -6.480 -4.844 1.00 0.00 O ATOM 1740 CB SER A 118 -4.397 -4.979 -6.386 1.00 0.00 C ATOM 1741 OG SER A 118 -5.599 -4.699 -7.083 1.00 0.00 O ATOM 0 H SER A 118 -3.497 -3.360 -4.387 1.00 0.00 H new ATOM 0 HA SER A 118 -5.671 -5.350 -4.695 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.659 -4.207 -6.604 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.982 -5.925 -6.735 1.00 0.00 H new ATOM 0 HG SER A 118 -5.417 -4.658 -8.045 1.00 0.00 H new ATOM 1747 N VAL A 119 -4.058 -6.527 -3.044 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.260 -7.519 -2.335 1.00 0.00 C ATOM 1749 C VAL A 119 -3.299 -8.867 -3.047 1.00 0.00 C ATOM 1750 O VAL A 119 -4.349 -9.503 -3.135 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.749 -7.702 -0.886 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -5.187 -8.197 -0.866 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -2.837 -8.659 -0.133 1.00 0.00 C ATOM 0 H VAL A 119 -4.885 -6.212 -2.538 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.235 -7.148 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.716 -6.734 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.515 -8.320 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.828 -7.472 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.249 -9.154 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.197 -8.777 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.836 -9.628 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.823 -8.258 -0.116 1.00 0.00 H new ATOM 1763 N ARG A 120 -2.148 -9.296 -3.553 1.00 0.00 N ATOM 1764 CA ARG A 120 -2.051 -10.568 -4.259 1.00 0.00 C ATOM 1765 C ARG A 120 -1.557 -11.671 -3.326 1.00 0.00 C ATOM 1766 O ARG A 120 -0.489 -11.556 -2.725 1.00 0.00 O ATOM 1767 CB ARG A 120 -1.110 -10.440 -5.458 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.712 -9.676 -6.626 1.00 0.00 C ATOM 1769 CD ARG A 120 -2.582 -10.574 -7.491 1.00 0.00 C ATOM 1770 NE ARG A 120 -2.752 -10.038 -8.838 1.00 0.00 N ATOM 1771 CZ ARG A 120 -3.615 -9.076 -9.143 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -4.383 -8.546 -8.200 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -3.712 -8.640 -10.392 1.00 0.00 N ATOM 0 H ARG A 120 -1.270 -8.782 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 120 -3.046 -10.835 -4.614 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.196 -9.939 -5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.826 -11.437 -5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.307 -8.844 -6.250 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -0.914 -9.248 -7.232 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -2.134 -11.566 -7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -3.559 -10.693 -7.022 1.00 0.00 H new ATOM 0 HE ARG A 120 -2.176 -10.424 -9.586 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -4.311 -8.877 -7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.045 -7.807 -8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -3.123 -9.044 -11.120 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.376 -7.901 -10.624 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.341 -12.737 -3.211 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.983 -13.860 -2.354 1.00 0.00 C ATOM 1789 C ALA A 121 -0.570 -14.349 -2.651 1.00 0.00 C ATOM 1790 O ALA A 121 -0.074 -14.205 -3.769 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.983 -14.995 -2.525 1.00 0.00 C ATOM 0 H ALA A 121 -3.229 -12.847 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.011 -13.518 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.703 -15.827 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.980 -14.646 -2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.983 -15.326 -3.563 1.00 0.00 H new ATOM 1797 N LYS A 122 0.075 -14.928 -1.644 1.00 0.00 N ATOM 1798 CA LYS A 122 1.432 -15.439 -1.797 1.00 0.00 C ATOM 1799 C LYS A 122 1.583 -16.200 -3.110 1.00 0.00 C ATOM 1800 O LYS A 122 0.632 -16.788 -3.627 1.00 0.00 O ATOM 1801 CB LYS A 122 1.791 -16.352 -0.622 1.00 0.00 C ATOM 1802 CG LYS A 122 2.297 -15.603 0.598 1.00 0.00 C ATOM 1803 CD LYS A 122 2.241 -16.468 1.846 1.00 0.00 C ATOM 1804 CE LYS A 122 0.820 -16.599 2.371 1.00 0.00 C ATOM 1805 NZ LYS A 122 0.771 -17.341 3.661 1.00 0.00 N ATOM 0 H LYS A 122 -0.321 -15.055 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 122 2.114 -14.589 -1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.912 -16.933 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.553 -17.062 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.323 -15.277 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.698 -14.705 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.640 -17.457 1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.877 -16.035 2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.390 -15.607 2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.206 -17.114 1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.215 -17.409 3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.158 -18.297 3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.336 -16.836 4.374 1.00 0.00 H new