USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 792 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 46 GLN : amide:sc= -2.84! C(o=-1.5!,f=-11!) USER MOD Set 1.2: A 96 LYS NZ :NH3+ -163:sc= 1.29 (180deg=0) USER MOD Set 2.1: A 17 GLN :FLIP amide:sc= 0.0203 F(o=-1.5,f=0.044) USER MOD Set 2.2: A 53 TYR OH : rot 30:sc= 0.0233 USER MOD Single : A 1 MET CE :methyl -148:sc= -0.53 (180deg=-1.99!) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0924 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 88:sc= 0.488 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.699 F(o=-2.4!,f=-0.7) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.012 (180deg=-0.221) USER MOD Single : A 7 THR OG1 : rot -59:sc= 0.723 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -152:sc= 1.23 (180deg=0.191) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.0561 USER MOD Single : A 28 THR OG1 : rot -63:sc= 1.32 USER MOD Single : A 30 CYS SG : rot -130:sc= -1.77 USER MOD Single : A 33 CYS SG : rot -107:sc= 1.08 USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0753) USER MOD Single : A 35 MET CE :methyl -178:sc= -2.06 (180deg=-2.21) USER MOD Single : A 39 MET CE :methyl 171:sc= -6.2! (180deg=-7.24!) USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.0647 (180deg=-0.418) USER MOD Single : A 44 SER OG : rot 170:sc= 0.457 USER MOD Single : A 47 TYR OH : rot -120:sc= -2.66! USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -141:sc= 1.23 (180deg=0.746) USER MOD Single : A 65 GLN : amide:sc= -0.0967 X(o=-0.097,f=-0.097) USER MOD Single : A 66 LYS NZ :NH3+ 160:sc= 0.699 (180deg=0.482) USER MOD Single : A 67 ASN :FLIP amide:sc= -5.62! C(o=-7.3!,f=-5.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 147:sc= -6.42! (180deg=-7.48!) USER MOD Single : A 74 THR OG1 : rot 109:sc= 1.22 USER MOD Single : A 79 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0333) USER MOD Single : A 80 ASN : amide:sc= -2.86 K(o=-2.9,f=-6!) USER MOD Single : A 82 LYS NZ :NH3+ 163:sc= -0.0137 (180deg=-0.295) USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= -0.0155 (180deg=-0.193) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.358 F(o=-1.5,f=-0.36) USER MOD Single : A 97 GLN : amide:sc= 0.575 K(o=0.58,f=-0.024) USER MOD Single : A 102 ASN : amide:sc= -10.9! C(o=-11!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.506 -6.228 10.950 1.00 0.00 N ATOM 2 CA MET A 1 -4.692 -4.995 10.929 1.00 0.00 C ATOM 3 C MET A 1 -3.685 -5.046 9.792 1.00 0.00 C ATOM 4 O MET A 1 -3.314 -6.121 9.332 1.00 0.00 O ATOM 5 CB MET A 1 -3.959 -4.804 12.252 1.00 0.00 C ATOM 6 CG MET A 1 -2.806 -5.768 12.472 1.00 0.00 C ATOM 7 SD MET A 1 -1.750 -5.259 13.838 1.00 0.00 S ATOM 8 CE MET A 1 -1.323 -3.606 13.295 1.00 0.00 C ATOM 0 H1 MET A 1 -5.527 -6.613 11.916 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.475 -6.009 10.643 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.089 -6.930 10.306 1.00 0.00 H new ATOM 0 HA MET A 1 -5.365 -4.151 10.777 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.578 -3.784 12.299 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.672 -4.916 13.069 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.200 -6.765 12.671 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.212 -5.836 11.561 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.319 -3.358 13.640 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.354 -3.561 12.206 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.035 -2.892 13.708 1.00 0.00 H new ATOM 20 N VAL A 2 -3.254 -3.880 9.348 1.00 0.00 N ATOM 21 CA VAL A 2 -2.284 -3.768 8.276 1.00 0.00 C ATOM 22 C VAL A 2 -0.906 -3.429 8.853 1.00 0.00 C ATOM 23 O VAL A 2 -0.764 -2.487 9.635 1.00 0.00 O ATOM 24 CB VAL A 2 -2.753 -2.708 7.260 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.667 -2.388 6.255 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.009 -3.194 6.552 1.00 0.00 C ATOM 0 H VAL A 2 -3.567 -2.984 9.721 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.200 -4.721 7.753 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.979 -1.790 7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.030 -1.637 5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.791 -2.003 6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.397 -3.293 5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.337 -2.441 5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.794 -4.125 6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.797 -3.364 7.285 1.00 0.00 H new ATOM 36 N THR A 3 0.093 -4.217 8.463 1.00 0.00 N ATOM 37 CA THR A 3 1.419 -4.195 9.085 1.00 0.00 C ATOM 38 C THR A 3 2.151 -2.866 8.874 1.00 0.00 C ATOM 39 O THR A 3 2.033 -2.230 7.831 1.00 0.00 O ATOM 40 CB THR A 3 2.279 -5.349 8.539 1.00 0.00 C ATOM 41 OG1 THR A 3 1.491 -6.544 8.464 1.00 0.00 O ATOM 42 CG2 THR A 3 3.493 -5.600 9.424 1.00 0.00 C ATOM 0 H THR A 3 0.007 -4.892 7.704 1.00 0.00 H new ATOM 0 HA THR A 3 1.265 -4.315 10.157 1.00 0.00 H new ATOM 0 HB THR A 3 2.629 -5.069 7.545 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.033 -6.580 7.598 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.080 -6.421 9.012 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.106 -4.700 9.465 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.163 -5.860 10.430 1.00 0.00 H new ATOM 50 N GLN A 4 2.914 -2.468 9.882 1.00 0.00 N ATOM 51 CA GLN A 4 3.599 -1.182 9.900 1.00 0.00 C ATOM 52 C GLN A 4 5.055 -1.306 9.438 1.00 0.00 C ATOM 53 O GLN A 4 5.825 -2.098 9.988 1.00 0.00 O ATOM 54 CB GLN A 4 3.549 -0.630 11.328 1.00 0.00 C ATOM 55 CG GLN A 4 3.997 0.811 11.463 1.00 0.00 C ATOM 56 CD GLN A 4 3.155 1.728 10.615 1.00 0.00 C ATOM 57 OE1 GLN A 4 3.612 1.989 9.410 1.00 0.00 O flip ATOM 58 NE2 GLN A 4 2.106 2.207 11.043 1.00 0.00 N flip ATOM 0 H GLN A 4 3.077 -3.032 10.716 1.00 0.00 H new ATOM 0 HA GLN A 4 3.098 -0.506 9.207 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.529 -0.716 11.701 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.175 -1.253 11.966 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.933 1.117 12.507 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.043 0.898 11.168 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.788 1.978 11.985 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.555 2.833 10.456 1.00 0.00 H new ATOM 67 N PHE A 5 5.416 -0.536 8.414 1.00 0.00 N ATOM 68 CA PHE A 5 6.814 -0.407 7.994 1.00 0.00 C ATOM 69 C PHE A 5 7.517 0.655 8.825 1.00 0.00 C ATOM 70 O PHE A 5 6.871 1.522 9.416 1.00 0.00 O ATOM 71 CB PHE A 5 6.924 0.029 6.532 1.00 0.00 C ATOM 72 CG PHE A 5 6.572 -1.003 5.503 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.780 -2.351 5.733 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.064 -0.605 4.278 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.486 -3.282 4.757 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.763 -1.530 3.302 1.00 0.00 C ATOM 77 CZ PHE A 5 5.976 -2.870 3.541 1.00 0.00 C ATOM 0 H PHE A 5 4.759 0.011 7.857 1.00 0.00 H new ATOM 0 HA PHE A 5 7.273 -1.386 8.128 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.278 0.894 6.384 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.947 0.359 6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.175 -2.678 6.683 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.901 0.445 4.085 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.655 -4.332 4.944 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.362 -1.206 2.353 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.744 -3.598 2.778 1.00 0.00 H new ATOM 87 N LYS A 6 8.839 0.579 8.863 1.00 0.00 N ATOM 88 CA LYS A 6 9.660 1.636 9.439 1.00 0.00 C ATOM 89 C LYS A 6 10.747 2.045 8.456 1.00 0.00 C ATOM 90 O LYS A 6 11.245 3.168 8.490 1.00 0.00 O ATOM 91 CB LYS A 6 10.327 1.170 10.731 1.00 0.00 C ATOM 92 CG LYS A 6 9.376 0.516 11.705 1.00 0.00 C ATOM 93 CD LYS A 6 10.111 0.020 12.939 1.00 0.00 C ATOM 94 CE LYS A 6 9.150 -0.428 14.027 1.00 0.00 C ATOM 95 NZ LYS A 6 8.374 0.710 14.589 1.00 0.00 N ATOM 0 H LYS A 6 9.371 -0.211 8.498 1.00 0.00 H new ATOM 0 HA LYS A 6 9.007 2.482 9.656 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.122 0.466 10.485 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.797 2.026 11.215 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.605 1.228 11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.870 -0.319 11.219 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.762 -0.810 12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.751 0.814 13.324 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.463 -1.170 13.620 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.709 -0.915 14.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.941 0.424 15.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.010 1.517 14.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.628 0.986 13.919 1.00 0.00 H new ATOM 109 N THR A 7 11.132 1.109 7.602 1.00 0.00 N ATOM 110 CA THR A 7 12.215 1.343 6.652 1.00 0.00 C ATOM 111 C THR A 7 11.809 1.018 5.213 1.00 0.00 C ATOM 112 O THR A 7 10.823 0.317 4.969 1.00 0.00 O ATOM 113 CB THR A 7 13.453 0.501 7.017 1.00 0.00 C ATOM 114 OG1 THR A 7 13.070 -0.867 7.196 1.00 0.00 O ATOM 115 CG2 THR A 7 14.118 1.017 8.283 1.00 0.00 C ATOM 0 H THR A 7 10.713 0.181 7.545 1.00 0.00 H new ATOM 0 HA THR A 7 12.451 2.405 6.713 1.00 0.00 H new ATOM 0 HB THR A 7 14.171 0.580 6.200 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.403 -0.929 7.911 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.988 0.402 8.514 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.433 2.050 8.134 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.410 0.970 9.111 1.00 0.00 H new ATOM 123 N ALA A 8 12.588 1.527 4.262 1.00 0.00 N ATOM 124 CA ALA A 8 12.366 1.235 2.852 1.00 0.00 C ATOM 125 C ALA A 8 12.763 -0.201 2.546 1.00 0.00 C ATOM 126 O ALA A 8 12.244 -0.816 1.615 1.00 0.00 O ATOM 127 CB ALA A 8 13.139 2.196 1.969 1.00 0.00 C ATOM 0 H ALA A 8 13.379 2.144 4.444 1.00 0.00 H new ATOM 0 HA ALA A 8 11.304 1.362 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.955 1.956 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.813 3.217 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.205 2.107 2.180 1.00 0.00 H new ATOM 133 N SER A 9 13.689 -0.728 3.338 1.00 0.00 N ATOM 134 CA SER A 9 14.074 -2.125 3.236 1.00 0.00 C ATOM 135 C SER A 9 12.872 -3.008 3.547 1.00 0.00 C ATOM 136 O SER A 9 12.651 -4.027 2.897 1.00 0.00 O ATOM 137 CB SER A 9 15.226 -2.429 4.192 1.00 0.00 C ATOM 138 OG SER A 9 16.294 -1.514 3.996 1.00 0.00 O ATOM 0 H SER A 9 14.187 -0.205 4.059 1.00 0.00 H new ATOM 0 HA SER A 9 14.412 -2.332 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.875 -2.371 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.579 -3.448 4.032 1.00 0.00 H new ATOM 0 HG SER A 9 17.022 -1.723 4.618 1.00 0.00 H new ATOM 144 N GLU A 10 12.098 -2.597 4.546 1.00 0.00 N ATOM 145 CA GLU A 10 10.834 -3.235 4.860 1.00 0.00 C ATOM 146 C GLU A 10 9.885 -3.210 3.670 1.00 0.00 C ATOM 147 O GLU A 10 9.203 -4.203 3.398 1.00 0.00 O ATOM 148 CB GLU A 10 10.208 -2.543 6.059 1.00 0.00 C ATOM 149 CG GLU A 10 10.785 -3.026 7.364 1.00 0.00 C ATOM 150 CD GLU A 10 10.274 -2.251 8.545 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.213 -2.610 9.090 1.00 0.00 O ATOM 152 OE2 GLU A 10 10.932 -1.267 8.925 1.00 0.00 O ATOM 0 H GLU A 10 12.332 -1.814 5.157 1.00 0.00 H new ATOM 0 HA GLU A 10 11.022 -4.281 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.359 -1.467 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.132 -2.716 6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.544 -4.081 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.872 -2.949 7.327 1.00 0.00 H new ATOM 159 N PHE A 11 9.839 -2.080 2.961 1.00 0.00 N ATOM 160 CA PHE A 11 9.014 -1.984 1.762 1.00 0.00 C ATOM 161 C PHE A 11 9.424 -3.067 0.767 1.00 0.00 C ATOM 162 O PHE A 11 8.624 -3.937 0.428 1.00 0.00 O ATOM 163 CB PHE A 11 9.113 -0.581 1.128 1.00 0.00 C ATOM 164 CG PHE A 11 8.123 -0.333 0.013 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.365 -0.813 -1.263 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.960 0.395 0.239 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.470 -0.578 -2.289 1.00 0.00 C ATOM 168 CE2 PHE A 11 6.060 0.636 -0.792 1.00 0.00 C ATOM 169 CZ PHE A 11 6.318 0.144 -2.053 1.00 0.00 C ATOM 0 H PHE A 11 10.356 -1.232 3.194 1.00 0.00 H new ATOM 0 HA PHE A 11 7.972 -2.140 2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.963 0.168 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.122 -0.440 0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.264 -1.378 -1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.754 0.778 1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.673 -0.960 -3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.162 1.207 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.619 0.323 -2.856 1.00 0.00 H new ATOM 179 N ASP A 12 10.685 -3.032 0.351 1.00 0.00 N ATOM 180 CA ASP A 12 11.223 -4.008 -0.604 1.00 0.00 C ATOM 181 C ASP A 12 11.045 -5.439 -0.109 1.00 0.00 C ATOM 182 O ASP A 12 10.723 -6.333 -0.888 1.00 0.00 O ATOM 183 CB ASP A 12 12.712 -3.771 -0.863 1.00 0.00 C ATOM 184 CG ASP A 12 12.996 -2.528 -1.677 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.516 -2.438 -2.828 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.731 -1.647 -1.178 1.00 0.00 O ATOM 0 H ASP A 12 11.362 -2.335 0.660 1.00 0.00 H new ATOM 0 HA ASP A 12 10.661 -3.872 -1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.231 -3.695 0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.124 -4.637 -1.382 1.00 0.00 H new ATOM 191 N SER A 13 11.269 -5.652 1.183 1.00 0.00 N ATOM 192 CA SER A 13 11.146 -6.977 1.777 1.00 0.00 C ATOM 193 C SER A 13 9.748 -7.543 1.546 1.00 0.00 C ATOM 194 O SER A 13 9.592 -8.717 1.209 1.00 0.00 O ATOM 195 CB SER A 13 11.453 -6.922 3.278 1.00 0.00 C ATOM 196 OG SER A 13 11.513 -8.223 3.840 1.00 0.00 O ATOM 0 H SER A 13 11.538 -4.920 1.841 1.00 0.00 H new ATOM 0 HA SER A 13 11.870 -7.635 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.402 -6.410 3.439 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.686 -6.339 3.787 1.00 0.00 H new ATOM 0 HG SER A 13 11.712 -8.157 4.797 1.00 0.00 H new ATOM 202 N ALA A 14 8.736 -6.701 1.713 1.00 0.00 N ATOM 203 CA ALA A 14 7.367 -7.110 1.478 1.00 0.00 C ATOM 204 C ALA A 14 7.118 -7.294 -0.010 1.00 0.00 C ATOM 205 O ALA A 14 6.389 -8.194 -0.421 1.00 0.00 O ATOM 206 CB ALA A 14 6.397 -6.096 2.059 1.00 0.00 C ATOM 0 H ALA A 14 8.843 -5.731 2.011 1.00 0.00 H new ATOM 0 HA ALA A 14 7.202 -8.065 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.374 -6.422 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.560 -6.011 3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.560 -5.126 1.590 1.00 0.00 H new ATOM 212 N ILE A 15 7.742 -6.440 -0.810 1.00 0.00 N ATOM 213 CA ILE A 15 7.606 -6.494 -2.261 1.00 0.00 C ATOM 214 C ILE A 15 8.125 -7.814 -2.807 1.00 0.00 C ATOM 215 O ILE A 15 7.517 -8.418 -3.690 1.00 0.00 O ATOM 216 CB ILE A 15 8.395 -5.365 -2.947 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.988 -3.997 -2.433 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.210 -5.409 -4.447 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.495 -3.817 -2.253 1.00 0.00 C ATOM 0 H ILE A 15 8.353 -5.695 -0.475 1.00 0.00 H new ATOM 0 HA ILE A 15 6.543 -6.384 -2.474 1.00 0.00 H new ATOM 0 HB ILE A 15 9.446 -5.527 -2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.481 -3.819 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.353 -3.238 -3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.778 -4.601 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.565 -6.366 -4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.153 -5.292 -4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.292 -2.812 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.993 -3.960 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.124 -4.550 -1.536 1.00 0.00 H new ATOM 231 N ALA A 16 9.240 -8.263 -2.249 1.00 0.00 N ATOM 232 CA ALA A 16 9.958 -9.423 -2.760 1.00 0.00 C ATOM 233 C ALA A 16 9.246 -10.728 -2.440 1.00 0.00 C ATOM 234 O ALA A 16 9.736 -11.811 -2.768 1.00 0.00 O ATOM 235 CB ALA A 16 11.372 -9.439 -2.208 1.00 0.00 C ATOM 0 H ALA A 16 9.672 -7.835 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 16 9.993 -9.338 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.903 -10.309 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.892 -8.531 -2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.337 -9.489 -1.120 1.00 0.00 H new ATOM 241 N GLN A 17 8.095 -10.621 -1.808 1.00 0.00 N ATOM 242 CA GLN A 17 7.284 -11.766 -1.493 1.00 0.00 C ATOM 243 C GLN A 17 6.588 -12.280 -2.746 1.00 0.00 C ATOM 244 O GLN A 17 6.165 -11.498 -3.598 1.00 0.00 O ATOM 245 CB GLN A 17 6.266 -11.376 -0.433 1.00 0.00 C ATOM 246 CG GLN A 17 6.895 -11.073 0.917 1.00 0.00 C ATOM 247 CD GLN A 17 5.884 -10.679 1.978 1.00 0.00 C ATOM 248 OE1 GLN A 17 4.814 -10.016 1.575 1.00 0.00 O flip ATOM 249 NE2 GLN A 17 6.079 -10.950 3.163 1.00 0.00 N flip ATOM 0 H GLN A 17 7.700 -9.733 -1.500 1.00 0.00 H new ATOM 0 HA GLN A 17 7.914 -12.567 -1.107 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.713 -10.501 -0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.544 -12.184 -0.317 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.446 -11.950 1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.620 -10.267 0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.916 -11.463 3.438 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.403 -10.661 3.870 1.00 0.00 H new ATOM 258 N ASP A 18 6.463 -13.595 -2.849 1.00 0.00 N ATOM 259 CA ASP A 18 5.875 -14.230 -4.025 1.00 0.00 C ATOM 260 C ASP A 18 4.349 -14.169 -3.992 1.00 0.00 C ATOM 261 O ASP A 18 3.671 -15.082 -4.465 1.00 0.00 O ATOM 262 CB ASP A 18 6.338 -15.687 -4.127 1.00 0.00 C ATOM 263 CG ASP A 18 5.948 -16.513 -2.916 1.00 0.00 C ATOM 264 OD1 ASP A 18 6.420 -16.205 -1.801 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.181 -17.486 -3.069 1.00 0.00 O ATOM 0 H ASP A 18 6.763 -14.250 -2.127 1.00 0.00 H new ATOM 0 HA ASP A 18 6.215 -13.680 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.910 -16.138 -5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.421 -15.712 -4.245 1.00 0.00 H new ATOM 270 N LYS A 19 3.818 -13.085 -3.448 1.00 0.00 N ATOM 271 CA LYS A 19 2.379 -12.882 -3.376 1.00 0.00 C ATOM 272 C LYS A 19 2.049 -11.404 -3.536 1.00 0.00 C ATOM 273 O LYS A 19 2.949 -10.566 -3.576 1.00 0.00 O ATOM 274 CB LYS A 19 1.795 -13.423 -2.059 1.00 0.00 C ATOM 275 CG LYS A 19 2.554 -13.008 -0.802 1.00 0.00 C ATOM 276 CD LYS A 19 3.744 -13.920 -0.514 1.00 0.00 C ATOM 277 CE LYS A 19 3.310 -15.357 -0.267 1.00 0.00 C ATOM 278 NZ LYS A 19 4.464 -16.255 0.007 1.00 0.00 N ATOM 0 H LYS A 19 4.368 -12.326 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 19 1.922 -13.440 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.762 -13.085 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.771 -14.512 -2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.905 -11.982 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.875 -13.021 0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.437 -13.889 -1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.284 -13.549 0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.621 -15.386 0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.765 -15.724 -1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.229 -17.223 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.296 -15.921 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.674 -16.249 1.026 1.00 0.00 H new ATOM 292 N LEU A 20 0.761 -11.097 -3.648 1.00 0.00 N ATOM 293 CA LEU A 20 0.307 -9.726 -3.841 1.00 0.00 C ATOM 294 C LEU A 20 0.561 -8.898 -2.586 1.00 0.00 C ATOM 295 O LEU A 20 0.094 -9.236 -1.493 1.00 0.00 O ATOM 296 CB LEU A 20 -1.186 -9.715 -4.211 1.00 0.00 C ATOM 297 CG LEU A 20 -1.732 -8.419 -4.830 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.815 -7.298 -3.806 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.873 -7.994 -6.007 1.00 0.00 C ATOM 0 H LEU A 20 0.009 -11.785 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 20 0.871 -9.279 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.370 -10.530 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.762 -9.932 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.744 -8.622 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.205 -6.399 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.478 -7.596 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.821 -7.095 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.272 -7.075 -6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.149 -7.823 -5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.878 -8.779 -6.763 1.00 0.00 H new ATOM 311 N VAL A 21 1.302 -7.816 -2.756 1.00 0.00 N ATOM 312 CA VAL A 21 1.630 -6.927 -1.658 1.00 0.00 C ATOM 313 C VAL A 21 0.776 -5.670 -1.719 1.00 0.00 C ATOM 314 O VAL A 21 0.893 -4.882 -2.657 1.00 0.00 O ATOM 315 CB VAL A 21 3.110 -6.502 -1.694 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.603 -6.158 -0.300 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.973 -7.573 -2.344 1.00 0.00 C ATOM 0 H VAL A 21 1.691 -7.531 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 21 1.436 -7.476 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 21 3.192 -5.604 -2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.651 -5.860 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.010 -5.337 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.503 -7.030 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.013 -7.245 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.891 -8.500 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.635 -7.742 -3.366 1.00 0.00 H new ATOM 327 N VAL A 22 -0.085 -5.491 -0.732 1.00 0.00 N ATOM 328 CA VAL A 22 -0.884 -4.282 -0.629 1.00 0.00 C ATOM 329 C VAL A 22 -0.176 -3.284 0.265 1.00 0.00 C ATOM 330 O VAL A 22 -0.165 -3.436 1.490 1.00 0.00 O ATOM 331 CB VAL A 22 -2.281 -4.562 -0.045 1.00 0.00 C ATOM 332 CG1 VAL A 22 -3.131 -3.299 -0.042 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.969 -5.670 -0.818 1.00 0.00 C ATOM 0 H VAL A 22 -0.249 -6.170 0.012 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.007 -3.884 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.159 -4.889 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.113 -3.522 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.645 -2.535 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.245 -2.935 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.955 -5.854 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.075 -5.374 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.372 -6.580 -0.758 1.00 0.00 H new ATOM 343 N VAL A 23 0.433 -2.279 -0.336 1.00 0.00 N ATOM 344 CA VAL A 23 1.150 -1.290 0.435 1.00 0.00 C ATOM 345 C VAL A 23 0.380 0.017 0.506 1.00 0.00 C ATOM 346 O VAL A 23 0.009 0.608 -0.510 1.00 0.00 O ATOM 347 CB VAL A 23 2.564 -1.036 -0.109 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.279 -0.031 0.765 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.353 -2.328 -0.173 1.00 0.00 C ATOM 0 H VAL A 23 0.444 -2.129 -1.345 1.00 0.00 H new ATOM 0 HA VAL A 23 1.249 -1.698 1.441 1.00 0.00 H new ATOM 0 HB VAL A 23 2.481 -0.635 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.281 0.144 0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.723 0.906 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.349 -0.418 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.351 -2.126 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.432 -2.756 0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.844 -3.033 -0.831 1.00 0.00 H new ATOM 359 N ALA A 24 0.151 0.444 1.729 1.00 0.00 N ATOM 360 CA ALA A 24 -0.620 1.638 2.021 1.00 0.00 C ATOM 361 C ALA A 24 0.294 2.796 2.406 1.00 0.00 C ATOM 362 O ALA A 24 0.738 2.882 3.552 1.00 0.00 O ATOM 363 CB ALA A 24 -1.548 1.344 3.183 1.00 0.00 C ATOM 0 H ALA A 24 0.499 -0.033 2.561 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.184 1.918 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.135 2.233 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.218 0.527 2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.960 1.060 4.056 1.00 0.00 H new ATOM 369 N PHE A 25 0.592 3.675 1.471 1.00 0.00 N ATOM 370 CA PHE A 25 1.402 4.841 1.789 1.00 0.00 C ATOM 371 C PHE A 25 0.565 6.105 1.853 1.00 0.00 C ATOM 372 O PHE A 25 -0.096 6.485 0.892 1.00 0.00 O ATOM 373 CB PHE A 25 2.545 4.996 0.797 1.00 0.00 C ATOM 374 CG PHE A 25 3.812 4.387 1.304 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.829 3.075 1.732 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.978 5.123 1.364 1.00 0.00 C ATOM 377 CE1 PHE A 25 4.985 2.503 2.212 1.00 0.00 C ATOM 378 CE2 PHE A 25 6.141 4.556 1.841 1.00 0.00 C ATOM 379 CZ PHE A 25 6.142 3.242 2.267 1.00 0.00 C ATOM 0 H PHE A 25 0.293 3.610 0.498 1.00 0.00 H new ATOM 0 HA PHE A 25 1.829 4.681 2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.271 4.528 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.707 6.054 0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.923 2.489 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.980 6.152 1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.983 1.476 2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.050 5.138 1.881 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.051 2.796 2.643 1.00 0.00 H new ATOM 389 N TYR A 26 0.599 6.753 3.000 1.00 0.00 N ATOM 390 CA TYR A 26 -0.174 7.958 3.217 1.00 0.00 C ATOM 391 C TYR A 26 0.558 8.886 4.166 1.00 0.00 C ATOM 392 O TYR A 26 1.555 8.506 4.776 1.00 0.00 O ATOM 393 CB TYR A 26 -1.561 7.613 3.769 1.00 0.00 C ATOM 394 CG TYR A 26 -1.531 6.736 5.002 1.00 0.00 C ATOM 395 CD1 TYR A 26 -1.390 5.361 4.888 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.649 7.279 6.273 1.00 0.00 C ATOM 397 CE1 TYR A 26 -1.364 4.551 6.001 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.624 6.475 7.394 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.481 5.112 7.251 1.00 0.00 C ATOM 400 OH TYR A 26 -1.454 4.307 8.365 1.00 0.00 O ATOM 0 H TYR A 26 1.159 6.462 3.802 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.301 8.467 2.261 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.087 8.538 4.006 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.136 7.110 2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.299 4.917 3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.762 8.347 6.387 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.252 3.482 5.893 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.716 6.911 8.378 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.547 4.859 9.170 1.00 0.00 H new ATOM 410 N ALA A 27 0.069 10.102 4.282 1.00 0.00 N ATOM 411 CA ALA A 27 0.683 11.084 5.149 1.00 0.00 C ATOM 412 C ALA A 27 -0.282 11.491 6.248 1.00 0.00 C ATOM 413 O ALA A 27 -1.400 11.919 5.967 1.00 0.00 O ATOM 414 CB ALA A 27 1.109 12.291 4.337 1.00 0.00 C ATOM 0 H ALA A 27 -0.756 10.435 3.784 1.00 0.00 H new ATOM 0 HA ALA A 27 1.566 10.647 5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.571 13.027 4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.827 11.983 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.236 12.732 3.855 1.00 0.00 H new ATOM 420 N THR A 28 0.160 11.352 7.493 1.00 0.00 N ATOM 421 CA THR A 28 -0.667 11.635 8.655 1.00 0.00 C ATOM 422 C THR A 28 -1.187 13.075 8.673 1.00 0.00 C ATOM 423 O THR A 28 -2.209 13.368 9.297 1.00 0.00 O ATOM 424 CB THR A 28 0.133 11.367 9.926 1.00 0.00 C ATOM 425 OG1 THR A 28 1.329 10.651 9.589 1.00 0.00 O ATOM 426 CG2 THR A 28 -0.680 10.550 10.910 1.00 0.00 C ATOM 0 H THR A 28 1.103 11.039 7.723 1.00 0.00 H new ATOM 0 HA THR A 28 -1.535 10.978 8.602 1.00 0.00 H new ATOM 0 HB THR A 28 0.384 12.321 10.389 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.092 9.777 9.214 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.090 10.371 11.809 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.587 11.095 11.174 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.949 9.596 10.456 1.00 0.00 H new ATOM 434 N TRP A 29 -0.491 13.966 7.980 1.00 0.00 N ATOM 435 CA TRP A 29 -0.886 15.368 7.926 1.00 0.00 C ATOM 436 C TRP A 29 -1.885 15.625 6.802 1.00 0.00 C ATOM 437 O TRP A 29 -2.478 16.702 6.723 1.00 0.00 O ATOM 438 CB TRP A 29 0.346 16.266 7.748 1.00 0.00 C ATOM 439 CG TRP A 29 1.238 15.875 6.605 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.420 15.199 6.688 1.00 0.00 C ATOM 441 CD2 TRP A 29 1.027 16.139 5.211 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.956 15.027 5.435 1.00 0.00 N ATOM 443 CE2 TRP A 29 2.120 15.595 4.512 1.00 0.00 C ATOM 444 CE3 TRP A 29 0.022 16.782 4.484 1.00 0.00 C ATOM 445 CZ2 TRP A 29 2.232 15.674 3.127 1.00 0.00 C ATOM 446 CZ3 TRP A 29 0.132 16.858 3.113 1.00 0.00 C ATOM 447 CH2 TRP A 29 1.230 16.307 2.445 1.00 0.00 C ATOM 0 H TRP A 29 0.350 13.744 7.447 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.372 15.610 8.872 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.013 17.293 7.599 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.928 16.250 8.669 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.869 14.850 7.606 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.835 14.553 5.226 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.829 17.213 4.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.080 15.250 2.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.643 17.351 2.545 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.288 16.383 1.369 1.00 0.00 H new ATOM 458 N CYS A 30 -2.080 14.639 5.939 1.00 0.00 N ATOM 459 CA CYS A 30 -2.921 14.818 4.766 1.00 0.00 C ATOM 460 C CYS A 30 -4.381 14.522 5.097 1.00 0.00 C ATOM 461 O CYS A 30 -4.668 13.835 6.078 1.00 0.00 O ATOM 462 CB CYS A 30 -2.437 13.922 3.623 1.00 0.00 C ATOM 463 SG CYS A 30 -3.301 14.180 2.056 1.00 0.00 S ATOM 0 H CYS A 30 -1.669 13.710 6.029 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.849 15.858 4.447 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.372 14.093 3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.552 12.880 3.920 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.695 13.035 1.584 1.00 0.00 H new ATOM 469 N GLY A 31 -5.288 15.045 4.286 1.00 0.00 N ATOM 470 CA GLY A 31 -6.708 14.862 4.526 1.00 0.00 C ATOM 471 C GLY A 31 -7.154 13.408 4.466 1.00 0.00 C ATOM 472 O GLY A 31 -7.402 12.793 5.509 1.00 0.00 O ATOM 0 H GLY A 31 -5.065 15.598 3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.958 15.270 5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.269 15.436 3.789 1.00 0.00 H new ATOM 476 N PRO A 32 -7.240 12.819 3.258 1.00 0.00 N ATOM 477 CA PRO A 32 -7.828 11.492 3.049 1.00 0.00 C ATOM 478 C PRO A 32 -6.908 10.333 3.439 1.00 0.00 C ATOM 479 O PRO A 32 -7.051 9.224 2.927 1.00 0.00 O ATOM 480 CB PRO A 32 -8.113 11.451 1.537 1.00 0.00 C ATOM 481 CG PRO A 32 -7.736 12.798 1.002 1.00 0.00 C ATOM 482 CD PRO A 32 -6.780 13.394 1.992 1.00 0.00 C ATOM 0 HA PRO A 32 -8.708 11.362 3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.534 10.664 1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.164 11.237 1.345 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.273 12.710 0.019 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.617 13.429 0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.747 13.122 1.774 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.828 14.483 1.999 1.00 0.00 H new ATOM 490 N CYS A 33 -5.980 10.574 4.354 1.00 0.00 N ATOM 491 CA CYS A 33 -5.099 9.515 4.839 1.00 0.00 C ATOM 492 C CYS A 33 -5.919 8.475 5.596 1.00 0.00 C ATOM 493 O CYS A 33 -5.679 7.261 5.513 1.00 0.00 O ATOM 494 CB CYS A 33 -4.018 10.102 5.746 1.00 0.00 C ATOM 495 SG CYS A 33 -4.665 11.098 7.108 1.00 0.00 S ATOM 0 H CYS A 33 -5.816 11.488 4.775 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.613 9.036 3.989 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.421 9.288 6.156 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.348 10.717 5.145 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.435 12.356 6.873 1.00 0.00 H new ATOM 501 N LYS A 34 -6.929 8.973 6.294 1.00 0.00 N ATOM 502 CA LYS A 34 -7.827 8.135 7.064 1.00 0.00 C ATOM 503 C LYS A 34 -8.685 7.271 6.150 1.00 0.00 C ATOM 504 O LYS A 34 -9.404 6.399 6.623 1.00 0.00 O ATOM 505 CB LYS A 34 -8.716 8.992 7.968 1.00 0.00 C ATOM 506 CG LYS A 34 -9.647 9.928 7.209 1.00 0.00 C ATOM 507 CD LYS A 34 -10.437 10.831 8.149 1.00 0.00 C ATOM 508 CE LYS A 34 -11.307 10.036 9.115 1.00 0.00 C ATOM 509 NZ LYS A 34 -12.334 9.219 8.410 1.00 0.00 N ATOM 0 H LYS A 34 -7.146 9.969 6.341 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.222 7.477 7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.313 8.336 8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.082 9.583 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.064 10.541 6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.338 9.341 6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.746 11.456 8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.066 11.501 7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.675 9.382 9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.801 10.721 9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.965 8.777 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.890 9.830 7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.864 8.479 7.850 1.00 0.00 H new ATOM 523 N MET A 35 -8.622 7.511 4.839 1.00 0.00 N ATOM 524 CA MET A 35 -9.390 6.705 3.905 1.00 0.00 C ATOM 525 C MET A 35 -8.635 5.410 3.646 1.00 0.00 C ATOM 526 O MET A 35 -9.222 4.335 3.534 1.00 0.00 O ATOM 527 CB MET A 35 -9.613 7.458 2.590 1.00 0.00 C ATOM 528 CG MET A 35 -11.000 7.258 1.985 1.00 0.00 C ATOM 529 SD MET A 35 -11.469 5.520 1.846 1.00 0.00 S ATOM 530 CE MET A 35 -12.943 5.635 0.836 1.00 0.00 C ATOM 0 H MET A 35 -8.056 8.244 4.411 1.00 0.00 H new ATOM 0 HA MET A 35 -10.368 6.488 4.335 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.453 8.522 2.762 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.863 7.136 1.867 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.736 7.779 2.598 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.028 7.716 0.996 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.366 4.640 0.695 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.674 6.274 1.331 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.687 6.061 -0.134 1.00 0.00 H new ATOM 540 N ILE A 36 -7.312 5.520 3.608 1.00 0.00 N ATOM 541 CA ILE A 36 -6.460 4.374 3.341 1.00 0.00 C ATOM 542 C ILE A 36 -6.373 3.471 4.556 1.00 0.00 C ATOM 543 O ILE A 36 -6.171 2.263 4.424 1.00 0.00 O ATOM 544 CB ILE A 36 -5.052 4.826 2.878 1.00 0.00 C ATOM 545 CG1 ILE A 36 -4.980 4.824 1.355 1.00 0.00 C ATOM 546 CG2 ILE A 36 -3.953 3.951 3.456 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.152 5.514 0.706 1.00 0.00 C ATOM 0 H ILE A 36 -6.808 6.394 3.759 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.909 3.801 2.530 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.891 5.838 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.058 5.313 1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.931 3.794 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.984 4.305 3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.984 3.999 4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.101 2.920 3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.041 5.478 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.075 5.010 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.189 6.553 1.033 1.00 0.00 H new ATOM 559 N ALA A 37 -6.581 4.045 5.730 1.00 0.00 N ATOM 560 CA ALA A 37 -6.596 3.256 6.952 1.00 0.00 C ATOM 561 C ALA A 37 -7.622 2.099 6.875 1.00 0.00 C ATOM 562 O ALA A 37 -7.217 0.931 6.830 1.00 0.00 O ATOM 563 CB ALA A 37 -6.824 4.151 8.169 1.00 0.00 C ATOM 0 H ALA A 37 -6.740 5.044 5.863 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.617 2.791 7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.832 3.541 9.073 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.023 4.887 8.235 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.781 4.664 8.069 1.00 0.00 H new ATOM 569 N PRO A 38 -8.951 2.367 6.810 1.00 0.00 N ATOM 570 CA PRO A 38 -9.945 1.295 6.861 1.00 0.00 C ATOM 571 C PRO A 38 -10.192 0.604 5.521 1.00 0.00 C ATOM 572 O PRO A 38 -10.515 -0.579 5.504 1.00 0.00 O ATOM 573 CB PRO A 38 -11.201 2.019 7.326 1.00 0.00 C ATOM 574 CG PRO A 38 -11.076 3.376 6.735 1.00 0.00 C ATOM 575 CD PRO A 38 -9.598 3.681 6.693 1.00 0.00 C ATOM 0 HA PRO A 38 -9.616 0.484 7.511 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.103 1.515 6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.257 2.061 8.414 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.509 3.407 5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.609 4.113 7.336 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.321 4.179 5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.305 4.342 7.509 1.00 0.00 H new ATOM 583 N MET A 39 -10.037 1.311 4.399 1.00 0.00 N ATOM 584 CA MET A 39 -10.326 0.708 3.106 1.00 0.00 C ATOM 585 C MET A 39 -9.329 -0.408 2.833 1.00 0.00 C ATOM 586 O MET A 39 -9.696 -1.510 2.432 1.00 0.00 O ATOM 587 CB MET A 39 -10.244 1.767 2.005 1.00 0.00 C ATOM 588 CG MET A 39 -10.210 1.185 0.607 1.00 0.00 C ATOM 589 SD MET A 39 -9.241 2.197 -0.522 1.00 0.00 S ATOM 590 CE MET A 39 -7.791 2.506 0.490 1.00 0.00 C ATOM 0 H MET A 39 -9.720 2.280 4.363 1.00 0.00 H new ATOM 0 HA MET A 39 -11.334 0.294 3.118 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.101 2.436 2.091 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.351 2.372 2.160 1.00 0.00 H new ATOM 0 HG2 MET A 39 -9.791 0.180 0.643 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.228 1.092 0.228 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.021 2.985 -0.115 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.059 3.160 1.320 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.411 1.562 0.880 1.00 0.00 H new ATOM 600 N ILE A 40 -8.074 -0.114 3.101 1.00 0.00 N ATOM 601 CA ILE A 40 -6.987 -1.044 2.865 1.00 0.00 C ATOM 602 C ILE A 40 -7.016 -2.189 3.864 1.00 0.00 C ATOM 603 O ILE A 40 -6.736 -3.334 3.510 1.00 0.00 O ATOM 604 CB ILE A 40 -5.655 -0.274 2.911 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.073 -0.153 1.513 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.646 -0.909 3.860 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.136 1.015 1.365 1.00 0.00 C ATOM 0 H ILE A 40 -7.777 0.781 3.490 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.099 -1.495 1.879 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.869 0.721 3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.541 -1.072 1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.886 -0.053 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.725 -0.327 3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.057 -0.928 4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.433 -1.928 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.753 1.048 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.670 1.940 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.304 0.905 2.061 1.00 0.00 H new ATOM 619 N GLU A 41 -7.368 -1.886 5.107 1.00 0.00 N ATOM 620 CA GLU A 41 -7.549 -2.936 6.100 1.00 0.00 C ATOM 621 C GLU A 41 -8.720 -3.833 5.698 1.00 0.00 C ATOM 622 O GLU A 41 -8.713 -5.043 5.938 1.00 0.00 O ATOM 623 CB GLU A 41 -7.784 -2.334 7.490 1.00 0.00 C ATOM 624 CG GLU A 41 -8.042 -3.378 8.565 1.00 0.00 C ATOM 625 CD GLU A 41 -8.202 -2.780 9.944 1.00 0.00 C ATOM 626 OE1 GLU A 41 -9.223 -2.107 10.195 1.00 0.00 O ATOM 627 OE2 GLU A 41 -7.315 -3.001 10.796 1.00 0.00 O ATOM 0 H GLU A 41 -7.531 -0.938 5.447 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.641 -3.538 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.915 -1.740 7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.634 -1.653 7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.942 -3.938 8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.217 -4.090 8.577 1.00 0.00 H new ATOM 634 N LYS A 42 -9.714 -3.222 5.059 1.00 0.00 N ATOM 635 CA LYS A 42 -10.900 -3.929 4.600 1.00 0.00 C ATOM 636 C LYS A 42 -10.563 -4.909 3.475 1.00 0.00 C ATOM 637 O LYS A 42 -11.168 -5.980 3.383 1.00 0.00 O ATOM 638 CB LYS A 42 -11.965 -2.926 4.137 1.00 0.00 C ATOM 639 CG LYS A 42 -13.191 -3.571 3.511 1.00 0.00 C ATOM 640 CD LYS A 42 -13.956 -4.429 4.508 1.00 0.00 C ATOM 641 CE LYS A 42 -14.648 -3.587 5.568 1.00 0.00 C ATOM 642 NZ LYS A 42 -15.641 -2.652 4.974 1.00 0.00 N ATOM 0 H LYS A 42 -9.718 -2.224 4.846 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.295 -4.507 5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.279 -2.325 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.517 -2.244 3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.849 -2.795 3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.885 -4.185 2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.698 -5.027 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.269 -5.126 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.148 -4.242 6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.902 -3.019 6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.295 -2.324 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.146 -1.835 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.177 -3.142 4.230 1.00 0.00 H new ATOM 656 N PHE A 43 -9.608 -4.540 2.623 1.00 0.00 N ATOM 657 CA PHE A 43 -9.160 -5.421 1.538 1.00 0.00 C ATOM 658 C PHE A 43 -8.852 -6.811 2.080 1.00 0.00 C ATOM 659 O PHE A 43 -9.521 -7.786 1.734 1.00 0.00 O ATOM 660 CB PHE A 43 -7.900 -4.872 0.850 1.00 0.00 C ATOM 661 CG PHE A 43 -8.075 -3.539 0.198 1.00 0.00 C ATOM 662 CD1 PHE A 43 -9.332 -3.058 -0.098 1.00 0.00 C ATOM 663 CD2 PHE A 43 -6.974 -2.769 -0.116 1.00 0.00 C ATOM 664 CE1 PHE A 43 -9.492 -1.828 -0.695 1.00 0.00 C ATOM 665 CE2 PHE A 43 -7.126 -1.538 -0.711 1.00 0.00 C ATOM 666 CZ PHE A 43 -8.387 -1.067 -0.999 1.00 0.00 C ATOM 0 H PHE A 43 -9.129 -3.640 2.660 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.968 -5.472 0.808 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.102 -4.798 1.589 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.572 -5.589 0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.201 -3.653 0.141 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.983 -3.136 0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.482 -1.462 -0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.258 -0.942 -0.952 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.509 -0.100 -1.464 1.00 0.00 H new ATOM 676 N SER A 44 -7.867 -6.903 2.964 1.00 0.00 N ATOM 677 CA SER A 44 -7.428 -8.194 3.447 1.00 0.00 C ATOM 678 C SER A 44 -8.408 -8.757 4.471 1.00 0.00 C ATOM 679 O SER A 44 -8.355 -9.937 4.809 1.00 0.00 O ATOM 680 CB SER A 44 -6.025 -8.096 4.022 1.00 0.00 C ATOM 681 OG SER A 44 -5.973 -7.172 5.099 1.00 0.00 O ATOM 0 H SER A 44 -7.365 -6.105 3.354 1.00 0.00 H new ATOM 0 HA SER A 44 -7.401 -8.885 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.701 -9.078 4.367 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.330 -7.787 3.241 1.00 0.00 H new ATOM 0 HG SER A 44 -5.107 -7.246 5.552 1.00 0.00 H new ATOM 687 N GLU A 45 -9.296 -7.906 4.969 1.00 0.00 N ATOM 688 CA GLU A 45 -10.403 -8.363 5.795 1.00 0.00 C ATOM 689 C GLU A 45 -11.251 -9.350 4.997 1.00 0.00 C ATOM 690 O GLU A 45 -11.816 -10.297 5.546 1.00 0.00 O ATOM 691 CB GLU A 45 -11.256 -7.179 6.247 1.00 0.00 C ATOM 692 CG GLU A 45 -12.413 -7.562 7.156 1.00 0.00 C ATOM 693 CD GLU A 45 -11.947 -8.073 8.503 1.00 0.00 C ATOM 694 OE1 GLU A 45 -11.632 -7.242 9.377 1.00 0.00 O ATOM 695 OE2 GLU A 45 -11.902 -9.305 8.696 1.00 0.00 O ATOM 0 H GLU A 45 -9.270 -6.898 4.815 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.009 -8.857 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.620 -6.464 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.651 -6.672 5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.058 -6.695 7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.015 -8.329 6.669 1.00 0.00 H new ATOM 702 N GLN A 46 -11.328 -9.125 3.688 1.00 0.00 N ATOM 703 CA GLN A 46 -12.038 -10.028 2.806 1.00 0.00 C ATOM 704 C GLN A 46 -11.103 -11.145 2.359 1.00 0.00 C ATOM 705 O GLN A 46 -11.470 -12.321 2.369 1.00 0.00 O ATOM 706 CB GLN A 46 -12.572 -9.293 1.571 1.00 0.00 C ATOM 707 CG GLN A 46 -13.058 -7.866 1.819 1.00 0.00 C ATOM 708 CD GLN A 46 -14.364 -7.755 2.596 1.00 0.00 C ATOM 709 OE1 GLN A 46 -15.147 -6.840 2.354 1.00 0.00 O ATOM 710 NE2 GLN A 46 -14.597 -8.640 3.550 1.00 0.00 N ATOM 0 H GLN A 46 -10.905 -8.323 3.221 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.884 -10.442 3.355 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.785 -9.265 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.395 -9.872 1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.283 -7.324 2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.182 -7.368 0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.927 -9.388 3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.447 -8.574 4.110 1.00 0.00 H new ATOM 719 N TYR A 47 -9.892 -10.764 1.972 1.00 0.00 N ATOM 720 CA TYR A 47 -8.917 -11.714 1.464 1.00 0.00 C ATOM 721 C TYR A 47 -7.555 -11.564 2.147 1.00 0.00 C ATOM 722 O TYR A 47 -6.666 -10.874 1.648 1.00 0.00 O ATOM 723 CB TYR A 47 -8.784 -11.549 -0.050 1.00 0.00 C ATOM 724 CG TYR A 47 -8.868 -10.116 -0.531 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.785 -9.249 -0.429 1.00 0.00 C ATOM 726 CD2 TYR A 47 -10.046 -9.635 -1.085 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.881 -7.943 -0.870 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.149 -8.332 -1.522 1.00 0.00 C ATOM 729 CZ TYR A 47 -9.064 -7.493 -1.413 1.00 0.00 C ATOM 730 OH TYR A 47 -9.167 -6.192 -1.830 1.00 0.00 O ATOM 0 H TYR A 47 -9.563 -9.799 2.002 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.274 -12.718 1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.830 -11.971 -0.367 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.567 -12.130 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.858 -9.601 -0.000 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.897 -10.294 -1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.033 -7.279 -0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.074 -7.972 -1.947 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.882 -5.744 -1.331 1.00 0.00 H new ATOM 740 N PRO A 48 -7.358 -12.234 3.292 1.00 0.00 N ATOM 741 CA PRO A 48 -6.089 -12.183 4.025 1.00 0.00 C ATOM 742 C PRO A 48 -4.975 -12.944 3.304 1.00 0.00 C ATOM 743 O PRO A 48 -3.835 -12.986 3.766 1.00 0.00 O ATOM 744 CB PRO A 48 -6.424 -12.833 5.366 1.00 0.00 C ATOM 745 CG PRO A 48 -7.564 -13.743 5.069 1.00 0.00 C ATOM 746 CD PRO A 48 -8.357 -13.078 3.976 1.00 0.00 C ATOM 0 HA PRO A 48 -5.710 -11.166 4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.571 -13.383 5.764 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.697 -12.086 6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.208 -14.723 4.751 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.178 -13.900 5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.797 -13.809 3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.177 -12.483 4.379 1.00 0.00 H new ATOM 754 N GLN A 49 -5.327 -13.551 2.173 1.00 0.00 N ATOM 755 CA GLN A 49 -4.355 -14.211 1.305 1.00 0.00 C ATOM 756 C GLN A 49 -3.401 -13.203 0.665 1.00 0.00 C ATOM 757 O GLN A 49 -2.406 -13.576 0.047 1.00 0.00 O ATOM 758 CB GLN A 49 -5.068 -15.029 0.232 1.00 0.00 C ATOM 759 CG GLN A 49 -6.131 -14.249 -0.475 1.00 0.00 C ATOM 760 CD GLN A 49 -5.729 -13.798 -1.867 1.00 0.00 C ATOM 761 OE1 GLN A 49 -5.168 -12.604 -1.972 1.00 0.00 O flip ATOM 762 NE2 GLN A 49 -5.928 -14.517 -2.845 1.00 0.00 N flip ATOM 0 H GLN A 49 -6.288 -13.599 1.834 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.760 -14.884 1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.337 -15.382 -0.496 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.514 -15.912 0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.031 -14.859 -0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.385 -13.373 0.122 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.363 -15.432 -2.725 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.658 -14.198 -3.776 1.00 0.00 H new ATOM 771 N ALA A 50 -3.714 -11.926 0.815 1.00 0.00 N ATOM 772 CA ALA A 50 -2.845 -10.862 0.339 1.00 0.00 C ATOM 773 C ALA A 50 -2.075 -10.277 1.509 1.00 0.00 C ATOM 774 O ALA A 50 -2.498 -10.404 2.660 1.00 0.00 O ATOM 775 CB ALA A 50 -3.657 -9.774 -0.340 1.00 0.00 C ATOM 0 H ALA A 50 -4.569 -11.600 1.266 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.146 -11.276 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.990 -8.986 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.195 -10.197 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.371 -9.356 0.370 1.00 0.00 H new ATOM 781 N ASP A 51 -0.949 -9.644 1.226 1.00 0.00 N ATOM 782 CA ASP A 51 -0.144 -9.062 2.284 1.00 0.00 C ATOM 783 C ASP A 51 -0.506 -7.613 2.513 1.00 0.00 C ATOM 784 O ASP A 51 -0.668 -6.843 1.571 1.00 0.00 O ATOM 785 CB ASP A 51 1.350 -9.199 2.001 1.00 0.00 C ATOM 786 CG ASP A 51 1.907 -10.508 2.517 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.654 -11.561 1.896 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.605 -10.488 3.552 1.00 0.00 O ATOM 0 H ASP A 51 -0.576 -9.521 0.285 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.364 -9.620 3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.523 -9.129 0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.884 -8.370 2.465 1.00 0.00 H new ATOM 793 N PHE A 52 -0.621 -7.256 3.777 1.00 0.00 N ATOM 794 CA PHE A 52 -1.066 -5.933 4.176 1.00 0.00 C ATOM 795 C PHE A 52 0.049 -5.162 4.870 1.00 0.00 C ATOM 796 O PHE A 52 0.523 -5.562 5.935 1.00 0.00 O ATOM 797 CB PHE A 52 -2.278 -6.052 5.105 1.00 0.00 C ATOM 798 CG PHE A 52 -2.294 -7.310 5.936 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.598 -7.384 7.131 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.009 -8.419 5.515 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.614 -8.538 7.888 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.029 -9.577 6.267 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.331 -9.637 7.455 1.00 0.00 C ATOM 0 H PHE A 52 -0.408 -7.876 4.559 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.348 -5.383 3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.298 -5.189 5.771 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.187 -6.014 4.505 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.036 -6.528 7.475 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.558 -8.378 4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.067 -8.582 8.818 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.590 -10.434 5.925 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.345 -10.541 8.046 1.00 0.00 H new ATOM 813 N TYR A 53 0.471 -4.060 4.265 1.00 0.00 N ATOM 814 CA TYR A 53 1.500 -3.216 4.853 1.00 0.00 C ATOM 815 C TYR A 53 1.181 -1.743 4.642 1.00 0.00 C ATOM 816 O TYR A 53 0.530 -1.377 3.669 1.00 0.00 O ATOM 817 CB TYR A 53 2.869 -3.531 4.253 1.00 0.00 C ATOM 818 CG TYR A 53 3.367 -4.944 4.488 1.00 0.00 C ATOM 819 CD1 TYR A 53 4.026 -5.281 5.662 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.199 -5.935 3.525 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.500 -6.562 5.876 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.673 -7.218 3.731 1.00 0.00 C ATOM 823 CZ TYR A 53 4.321 -7.526 4.908 1.00 0.00 C ATOM 824 OH TYR A 53 4.799 -8.801 5.119 1.00 0.00 O ATOM 0 H TYR A 53 0.116 -3.730 3.367 1.00 0.00 H new ATOM 0 HA TYR A 53 1.524 -3.424 5.923 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.827 -3.352 3.179 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.598 -2.833 4.665 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.171 -4.528 6.423 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.690 -5.698 2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.008 -6.806 6.797 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.536 -7.975 2.973 1.00 0.00 H new ATOM 0 HH TYR A 53 4.789 -9.000 6.079 1.00 0.00 H new ATOM 834 N LYS A 54 1.641 -0.904 5.559 1.00 0.00 N ATOM 835 CA LYS A 54 1.323 0.514 5.530 1.00 0.00 C ATOM 836 C LYS A 54 2.468 1.341 6.113 1.00 0.00 C ATOM 837 O LYS A 54 3.295 0.813 6.862 1.00 0.00 O ATOM 838 CB LYS A 54 0.036 0.755 6.321 1.00 0.00 C ATOM 839 CG LYS A 54 0.206 0.686 7.835 1.00 0.00 C ATOM 840 CD LYS A 54 -1.110 0.949 8.551 1.00 0.00 C ATOM 841 CE LYS A 54 -0.915 1.152 10.047 1.00 0.00 C ATOM 842 NZ LYS A 54 -0.303 -0.030 10.707 1.00 0.00 N ATOM 0 H LYS A 54 2.239 -1.184 6.336 1.00 0.00 H new ATOM 0 HA LYS A 54 1.180 0.826 4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.361 1.735 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.707 0.018 6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.586 -0.296 8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.948 1.418 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.585 1.833 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.787 0.111 8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.283 2.024 10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.879 1.364 10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.746 -0.177 11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.450 -0.873 10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.717 0.131 10.832 1.00 0.00 H new ATOM 856 N LEU A 55 2.525 2.625 5.757 1.00 0.00 N ATOM 857 CA LEU A 55 3.531 3.528 6.292 1.00 0.00 C ATOM 858 C LEU A 55 3.096 4.988 6.129 1.00 0.00 C ATOM 859 O LEU A 55 2.418 5.339 5.159 1.00 0.00 O ATOM 860 CB LEU A 55 4.873 3.265 5.594 1.00 0.00 C ATOM 861 CG LEU A 55 6.022 4.206 5.957 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.352 3.480 5.845 1.00 0.00 C ATOM 863 CD2 LEU A 55 6.007 5.412 5.036 1.00 0.00 C ATOM 0 H LEU A 55 1.880 3.060 5.097 1.00 0.00 H new ATOM 0 HA LEU A 55 3.648 3.343 7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.182 2.245 5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.715 3.318 4.517 1.00 0.00 H new ATOM 0 HG LEU A 55 5.894 4.541 6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.162 4.161 6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.360 2.629 6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.490 3.128 4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.827 6.080 5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.123 5.083 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.060 5.941 5.144 1.00 0.00 H new ATOM 875 N ASP A 56 3.486 5.825 7.087 1.00 0.00 N ATOM 876 CA ASP A 56 3.224 7.256 7.034 1.00 0.00 C ATOM 877 C ASP A 56 4.430 7.990 6.465 1.00 0.00 C ATOM 878 O ASP A 56 5.513 7.959 7.054 1.00 0.00 O ATOM 879 CB ASP A 56 2.931 7.799 8.433 1.00 0.00 C ATOM 880 CG ASP A 56 1.576 7.395 8.958 1.00 0.00 C ATOM 881 OD1 ASP A 56 1.437 6.254 9.436 1.00 0.00 O ATOM 882 OD2 ASP A 56 0.651 8.228 8.921 1.00 0.00 O ATOM 0 H ASP A 56 3.992 5.528 7.921 1.00 0.00 H new ATOM 0 HA ASP A 56 2.357 7.418 6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.699 7.446 9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.996 8.887 8.414 1.00 0.00 H new ATOM 887 N VAL A 57 4.245 8.662 5.334 1.00 0.00 N ATOM 888 CA VAL A 57 5.339 9.370 4.683 1.00 0.00 C ATOM 889 C VAL A 57 5.794 10.561 5.524 1.00 0.00 C ATOM 890 O VAL A 57 6.872 11.109 5.313 1.00 0.00 O ATOM 891 CB VAL A 57 4.935 9.860 3.281 1.00 0.00 C ATOM 892 CG1 VAL A 57 4.068 8.819 2.589 1.00 0.00 C ATOM 893 CG2 VAL A 57 4.223 11.200 3.362 1.00 0.00 C ATOM 0 H VAL A 57 3.349 8.731 4.851 1.00 0.00 H new ATOM 0 HA VAL A 57 6.164 8.664 4.583 1.00 0.00 H new ATOM 0 HB VAL A 57 5.839 10.001 2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.789 9.178 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.625 7.887 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.168 8.645 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.947 11.527 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.325 11.098 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.886 11.938 3.814 1.00 0.00 H new ATOM 903 N ASP A 58 4.954 10.962 6.473 1.00 0.00 N ATOM 904 CA ASP A 58 5.319 12.015 7.409 1.00 0.00 C ATOM 905 C ASP A 58 6.513 11.562 8.230 1.00 0.00 C ATOM 906 O ASP A 58 7.441 12.328 8.489 1.00 0.00 O ATOM 907 CB ASP A 58 4.145 12.350 8.331 1.00 0.00 C ATOM 908 CG ASP A 58 4.520 13.357 9.405 1.00 0.00 C ATOM 909 OD1 ASP A 58 4.573 14.569 9.102 1.00 0.00 O ATOM 910 OD2 ASP A 58 4.768 12.941 10.556 1.00 0.00 O ATOM 0 H ASP A 58 4.021 10.575 6.612 1.00 0.00 H new ATOM 0 HA ASP A 58 5.578 12.914 6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.322 12.747 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.786 11.436 8.804 1.00 0.00 H new ATOM 915 N GLU A 59 6.490 10.296 8.612 1.00 0.00 N ATOM 916 CA GLU A 59 7.579 9.720 9.380 1.00 0.00 C ATOM 917 C GLU A 59 8.703 9.234 8.466 1.00 0.00 C ATOM 918 O GLU A 59 9.879 9.461 8.748 1.00 0.00 O ATOM 919 CB GLU A 59 7.071 8.566 10.244 1.00 0.00 C ATOM 920 CG GLU A 59 5.966 8.961 11.207 1.00 0.00 C ATOM 921 CD GLU A 59 5.611 7.845 12.162 1.00 0.00 C ATOM 922 OE1 GLU A 59 4.951 6.878 11.737 1.00 0.00 O ATOM 923 OE2 GLU A 59 6.014 7.917 13.342 1.00 0.00 O ATOM 0 H GLU A 59 5.730 9.649 8.403 1.00 0.00 H new ATOM 0 HA GLU A 59 7.979 10.500 10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.706 7.771 9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.906 8.155 10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.279 9.837 11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.080 9.248 10.641 1.00 0.00 H new ATOM 930 N LEU A 60 8.341 8.581 7.362 1.00 0.00 N ATOM 931 CA LEU A 60 9.337 8.033 6.438 1.00 0.00 C ATOM 932 C LEU A 60 9.090 8.502 5.002 1.00 0.00 C ATOM 933 O LEU A 60 8.653 7.727 4.143 1.00 0.00 O ATOM 934 CB LEU A 60 9.345 6.496 6.472 1.00 0.00 C ATOM 935 CG LEU A 60 9.837 5.828 7.765 1.00 0.00 C ATOM 936 CD1 LEU A 60 11.107 6.492 8.278 1.00 0.00 C ATOM 937 CD2 LEU A 60 8.751 5.826 8.832 1.00 0.00 C ATOM 0 H LEU A 60 7.373 8.419 7.086 1.00 0.00 H new ATOM 0 HA LEU A 60 10.307 8.403 6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.331 6.148 6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.968 6.143 5.650 1.00 0.00 H new ATOM 0 HG LEU A 60 10.075 4.790 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.431 5.998 9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.890 6.410 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.910 7.544 8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.129 5.347 9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.462 6.852 9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.883 5.278 8.466 1.00 0.00 H new ATOM 949 N GLY A 61 9.386 9.768 4.744 1.00 0.00 N ATOM 950 CA GLY A 61 9.227 10.317 3.411 1.00 0.00 C ATOM 951 C GLY A 61 10.210 9.721 2.427 1.00 0.00 C ATOM 952 O GLY A 61 9.869 9.482 1.270 1.00 0.00 O ATOM 0 H GLY A 61 9.735 10.429 5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.210 10.133 3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.361 11.398 3.447 1.00 0.00 H new ATOM 956 N ASP A 62 11.427 9.464 2.898 1.00 0.00 N ATOM 957 CA ASP A 62 12.476 8.864 2.070 1.00 0.00 C ATOM 958 C ASP A 62 12.020 7.534 1.500 1.00 0.00 C ATOM 959 O ASP A 62 12.291 7.208 0.344 1.00 0.00 O ATOM 960 CB ASP A 62 13.748 8.673 2.897 1.00 0.00 C ATOM 961 CG ASP A 62 14.889 8.067 2.102 1.00 0.00 C ATOM 962 OD1 ASP A 62 14.956 6.826 1.992 1.00 0.00 O ATOM 963 OD2 ASP A 62 15.742 8.833 1.606 1.00 0.00 O ATOM 0 H ASP A 62 11.715 9.663 3.856 1.00 0.00 H new ATOM 0 HA ASP A 62 12.686 9.537 1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.063 9.637 3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.527 8.032 3.750 1.00 0.00 H new ATOM 968 N VAL A 63 11.306 6.784 2.315 1.00 0.00 N ATOM 969 CA VAL A 63 10.745 5.516 1.888 1.00 0.00 C ATOM 970 C VAL A 63 9.733 5.742 0.780 1.00 0.00 C ATOM 971 O VAL A 63 9.819 5.120 -0.268 1.00 0.00 O ATOM 972 CB VAL A 63 10.072 4.772 3.051 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.465 3.465 2.569 1.00 0.00 C ATOM 974 CG2 VAL A 63 11.066 4.504 4.167 1.00 0.00 C ATOM 0 H VAL A 63 11.099 7.032 3.283 1.00 0.00 H new ATOM 0 HA VAL A 63 11.566 4.900 1.521 1.00 0.00 H new ATOM 0 HB VAL A 63 9.276 5.406 3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.993 2.952 3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.718 3.672 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.248 2.832 2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.567 3.976 4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.885 3.893 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.461 5.450 4.537 1.00 0.00 H new ATOM 984 N ALA A 64 8.787 6.648 1.008 1.00 0.00 N ATOM 985 CA ALA A 64 7.805 7.000 -0.006 1.00 0.00 C ATOM 986 C ALA A 64 8.487 7.386 -1.311 1.00 0.00 C ATOM 987 O ALA A 64 8.036 7.016 -2.396 1.00 0.00 O ATOM 988 CB ALA A 64 6.928 8.138 0.480 1.00 0.00 C ATOM 0 H ALA A 64 8.682 7.151 1.889 1.00 0.00 H new ATOM 0 HA ALA A 64 7.180 6.126 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.199 8.390 -0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.407 7.834 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.547 9.010 0.692 1.00 0.00 H new ATOM 994 N GLN A 65 9.598 8.099 -1.195 1.00 0.00 N ATOM 995 CA GLN A 65 10.343 8.540 -2.367 1.00 0.00 C ATOM 996 C GLN A 65 10.994 7.350 -3.060 1.00 0.00 C ATOM 997 O GLN A 65 11.117 7.321 -4.284 1.00 0.00 O ATOM 998 CB GLN A 65 11.408 9.572 -1.979 1.00 0.00 C ATOM 999 CG GLN A 65 10.855 10.809 -1.283 1.00 0.00 C ATOM 1000 CD GLN A 65 9.791 11.521 -2.094 1.00 0.00 C ATOM 1001 OE1 GLN A 65 10.098 12.381 -2.921 1.00 0.00 O ATOM 1002 NE2 GLN A 65 8.532 11.199 -1.840 1.00 0.00 N ATOM 0 H GLN A 65 10.003 8.384 -0.304 1.00 0.00 H new ATOM 0 HA GLN A 65 9.643 9.011 -3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.137 9.096 -1.324 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.941 9.882 -2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.436 10.520 -0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.673 11.501 -1.080 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.319 10.481 -1.148 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.775 11.669 -2.337 1.00 0.00 H new ATOM 1011 N LYS A 66 11.392 6.364 -2.269 1.00 0.00 N ATOM 1012 CA LYS A 66 11.951 5.135 -2.780 1.00 0.00 C ATOM 1013 C LYS A 66 10.927 4.388 -3.643 1.00 0.00 C ATOM 1014 O LYS A 66 11.288 3.712 -4.604 1.00 0.00 O ATOM 1015 CB LYS A 66 12.420 4.275 -1.588 1.00 0.00 C ATOM 1016 CG LYS A 66 12.132 2.796 -1.725 1.00 0.00 C ATOM 1017 CD LYS A 66 13.057 2.109 -2.719 1.00 0.00 C ATOM 1018 CE LYS A 66 12.641 0.667 -2.941 1.00 0.00 C ATOM 1019 NZ LYS A 66 13.483 -0.014 -3.960 1.00 0.00 N ATOM 0 H LYS A 66 11.333 6.401 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 66 12.805 5.355 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.494 4.412 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.940 4.643 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.233 2.318 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.098 2.659 -2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.041 2.646 -3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.082 2.143 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.705 0.124 -1.998 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.598 0.637 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.404 -1.044 -3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.160 0.253 -4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.475 0.273 -3.838 1.00 0.00 H new ATOM 1033 N ASN A 67 9.652 4.555 -3.327 1.00 0.00 N ATOM 1034 CA ASN A 67 8.609 3.746 -3.926 1.00 0.00 C ATOM 1035 C ASN A 67 7.882 4.521 -4.994 1.00 0.00 C ATOM 1036 O ASN A 67 7.014 3.977 -5.677 1.00 0.00 O ATOM 1037 CB ASN A 67 7.599 3.346 -2.875 1.00 0.00 C ATOM 1038 CG ASN A 67 8.226 2.926 -1.578 1.00 0.00 C ATOM 1039 OD1 ASN A 67 7.699 3.466 -0.501 1.00 0.00 O flip ATOM 1040 ND2 ASN A 67 9.192 2.171 -1.543 1.00 0.00 N flip ATOM 0 H ASN A 67 9.317 5.247 -2.656 1.00 0.00 H new ATOM 0 HA ASN A 67 9.079 2.865 -4.362 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.926 4.183 -2.691 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.991 2.527 -3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.564 1.778 -2.408 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.624 1.936 -0.649 1.00 0.00 H new ATOM 1047 N GLU A 68 8.203 5.809 -5.085 1.00 0.00 N ATOM 1048 CA GLU A 68 7.616 6.691 -6.079 1.00 0.00 C ATOM 1049 C GLU A 68 6.221 7.137 -5.659 1.00 0.00 C ATOM 1050 O GLU A 68 5.388 7.479 -6.497 1.00 0.00 O ATOM 1051 CB GLU A 68 7.562 6.018 -7.447 1.00 0.00 C ATOM 1052 CG GLU A 68 8.933 5.710 -8.025 1.00 0.00 C ATOM 1053 CD GLU A 68 8.862 4.884 -9.290 1.00 0.00 C ATOM 1054 OE1 GLU A 68 8.340 5.388 -10.310 1.00 0.00 O ATOM 1055 OE2 GLU A 68 9.325 3.724 -9.272 1.00 0.00 O ATOM 0 H GLU A 68 8.877 6.266 -4.471 1.00 0.00 H new ATOM 0 HA GLU A 68 8.254 7.572 -6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.994 5.091 -7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.021 6.663 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.452 6.645 -8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.525 5.177 -7.281 1.00 0.00 H new ATOM 1062 N VAL A 69 5.970 7.125 -4.360 1.00 0.00 N ATOM 1063 CA VAL A 69 4.714 7.626 -3.834 1.00 0.00 C ATOM 1064 C VAL A 69 4.903 9.033 -3.277 1.00 0.00 C ATOM 1065 O VAL A 69 5.620 9.241 -2.298 1.00 0.00 O ATOM 1066 CB VAL A 69 4.076 6.678 -2.773 1.00 0.00 C ATOM 1067 CG1 VAL A 69 5.123 5.909 -1.978 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.169 7.456 -1.827 1.00 0.00 C ATOM 0 H VAL A 69 6.618 6.775 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 69 4.009 7.663 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 69 3.480 5.949 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.628 5.263 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.721 5.301 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.771 6.612 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.735 6.774 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.751 8.219 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.371 7.932 -2.397 1.00 0.00 H new ATOM 1078 N SER A 70 4.294 9.996 -3.947 1.00 0.00 N ATOM 1079 CA SER A 70 4.373 11.384 -3.531 1.00 0.00 C ATOM 1080 C SER A 70 2.969 11.961 -3.347 1.00 0.00 C ATOM 1081 O SER A 70 2.785 12.962 -2.653 1.00 0.00 O ATOM 1082 CB SER A 70 5.165 12.194 -4.563 1.00 0.00 C ATOM 1083 OG SER A 70 5.542 13.461 -4.049 1.00 0.00 O ATOM 0 H SER A 70 3.736 9.840 -4.787 1.00 0.00 H new ATOM 0 HA SER A 70 4.892 11.442 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.056 11.639 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.563 12.329 -5.462 1.00 0.00 H new ATOM 0 HG SER A 70 6.047 13.953 -4.730 1.00 0.00 H new ATOM 1089 N ALA A 71 1.983 11.326 -3.972 1.00 0.00 N ATOM 1090 CA ALA A 71 0.593 11.722 -3.804 1.00 0.00 C ATOM 1091 C ALA A 71 0.054 11.144 -2.508 1.00 0.00 C ATOM 1092 O ALA A 71 0.483 10.076 -2.075 1.00 0.00 O ATOM 1093 CB ALA A 71 -0.247 11.262 -4.984 1.00 0.00 C ATOM 0 H ALA A 71 2.123 10.534 -4.600 1.00 0.00 H new ATOM 0 HA ALA A 71 0.539 12.810 -3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.282 11.570 -4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.137 11.710 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.199 10.176 -5.063 1.00 0.00 H new ATOM 1099 N MET A 72 -0.880 11.840 -1.887 1.00 0.00 N ATOM 1100 CA MET A 72 -1.369 11.431 -0.582 1.00 0.00 C ATOM 1101 C MET A 72 -2.891 11.371 -0.562 1.00 0.00 C ATOM 1102 O MET A 72 -3.554 12.369 -0.839 1.00 0.00 O ATOM 1103 CB MET A 72 -0.871 12.401 0.492 1.00 0.00 C ATOM 1104 CG MET A 72 0.639 12.537 0.518 1.00 0.00 C ATOM 1105 SD MET A 72 1.461 10.984 0.907 1.00 0.00 S ATOM 1106 CE MET A 72 3.092 11.311 0.247 1.00 0.00 C ATOM 0 H MET A 72 -1.313 12.685 -2.261 1.00 0.00 H new ATOM 0 HA MET A 72 -0.985 10.433 -0.373 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.315 13.382 0.321 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.216 12.061 1.468 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.986 12.896 -0.451 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.921 13.289 1.255 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.839 10.801 0.855 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.149 10.947 -0.779 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.282 12.384 0.263 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.477 10.202 -0.250 1.00 0.00 N ATOM 1117 CA PRO A 73 -2.744 8.957 -0.008 1.00 0.00 C ATOM 1118 C PRO A 73 -2.492 8.148 -1.292 1.00 0.00 C ATOM 1119 O PRO A 73 -3.079 8.432 -2.340 1.00 0.00 O ATOM 1120 CB PRO A 73 -3.677 8.204 0.936 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.059 8.673 0.598 1.00 0.00 C ATOM 1122 CD PRO A 73 -4.928 10.019 -0.075 1.00 0.00 C ATOM 0 HA PRO A 73 -1.746 9.135 0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.585 7.126 0.800 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.435 8.416 1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.555 7.961 -0.061 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.668 8.752 1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.449 10.037 -1.032 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.358 10.812 0.537 1.00 0.00 H new ATOM 1130 N THR A 74 -1.622 7.144 -1.194 1.00 0.00 N ATOM 1131 CA THR A 74 -1.243 6.314 -2.336 1.00 0.00 C ATOM 1132 C THR A 74 -1.200 4.834 -1.964 1.00 0.00 C ATOM 1133 O THR A 74 -0.727 4.450 -0.896 1.00 0.00 O ATOM 1134 CB THR A 74 0.136 6.743 -2.893 1.00 0.00 C ATOM 1135 OG1 THR A 74 0.018 7.985 -3.594 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.746 5.684 -3.813 1.00 0.00 C ATOM 0 H THR A 74 -1.161 6.883 -0.322 1.00 0.00 H new ATOM 0 HA THR A 74 -2.004 6.458 -3.103 1.00 0.00 H new ATOM 0 HB THR A 74 0.805 6.861 -2.041 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.453 8.695 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.712 6.032 -4.178 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.880 4.755 -3.259 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.080 5.510 -4.658 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.713 4.014 -2.861 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.664 2.576 -2.717 1.00 0.00 C ATOM 1146 C LEU A 75 -0.685 1.995 -3.729 1.00 0.00 C ATOM 1147 O LEU A 75 -0.785 2.283 -4.923 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.040 1.974 -2.975 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.176 2.474 -2.086 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -4.989 3.570 -2.780 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.066 1.310 -1.715 1.00 0.00 C ATOM 0 H LEU A 75 -2.177 4.330 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.344 2.339 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.308 2.167 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.967 0.892 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.747 2.910 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.789 3.903 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.338 4.412 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.419 3.176 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.879 1.662 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.479 0.865 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.483 0.563 -1.177 1.00 0.00 H new ATOM 1163 N LEU A 76 0.253 1.188 -3.268 1.00 0.00 N ATOM 1164 CA LEU A 76 1.193 0.537 -4.166 1.00 0.00 C ATOM 1165 C LEU A 76 1.109 -0.978 -4.025 1.00 0.00 C ATOM 1166 O LEU A 76 1.428 -1.537 -2.978 1.00 0.00 O ATOM 1167 CB LEU A 76 2.619 1.030 -3.901 1.00 0.00 C ATOM 1168 CG LEU A 76 3.198 1.953 -4.983 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.566 2.482 -4.567 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.296 1.213 -6.309 1.00 0.00 C ATOM 0 H LEU A 76 0.385 0.967 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 76 0.927 0.798 -5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.633 1.559 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.273 0.164 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 76 2.527 2.803 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.957 3.134 -5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.471 3.045 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.249 1.646 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.708 1.879 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.947 0.346 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.303 0.883 -6.616 1.00 0.00 H new ATOM 1182 N LEU A 77 0.651 -1.629 -5.085 1.00 0.00 N ATOM 1183 CA LEU A 77 0.540 -3.079 -5.122 1.00 0.00 C ATOM 1184 C LEU A 77 1.743 -3.653 -5.857 1.00 0.00 C ATOM 1185 O LEU A 77 2.088 -3.191 -6.949 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.737 -3.513 -5.857 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.091 -3.357 -5.135 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.111 -2.181 -4.168 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.169 -3.180 -6.181 1.00 0.00 C ATOM 0 H LEU A 77 0.347 -1.167 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 77 0.501 -3.448 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.791 -2.949 -6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.624 -4.563 -6.126 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.264 -4.253 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.088 -2.120 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.343 -2.322 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.916 -1.258 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.136 -3.068 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.957 -2.291 -6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.191 -4.054 -6.832 1.00 0.00 H new ATOM 1201 N PHE A 78 2.376 -4.652 -5.275 1.00 0.00 N ATOM 1202 CA PHE A 78 3.511 -5.301 -5.913 1.00 0.00 C ATOM 1203 C PHE A 78 3.330 -6.808 -5.919 1.00 0.00 C ATOM 1204 O PHE A 78 2.548 -7.345 -5.137 1.00 0.00 O ATOM 1205 CB PHE A 78 4.813 -4.951 -5.198 1.00 0.00 C ATOM 1206 CG PHE A 78 5.328 -3.568 -5.490 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.814 -2.463 -4.833 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.343 -3.377 -6.413 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.304 -1.200 -5.095 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.833 -2.115 -6.678 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.313 -1.024 -6.019 1.00 0.00 C ATOM 0 H PHE A 78 2.127 -5.034 -4.363 1.00 0.00 H new ATOM 0 HA PHE A 78 3.564 -4.940 -6.940 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.661 -5.050 -4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.575 -5.677 -5.481 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.023 -2.591 -4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.757 -4.228 -6.933 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.896 -0.346 -4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.624 -1.983 -7.402 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.693 -0.034 -6.225 1.00 0.00 H new ATOM 1221 N LYS A 79 4.023 -7.483 -6.821 1.00 0.00 N ATOM 1222 CA LYS A 79 4.068 -8.932 -6.803 1.00 0.00 C ATOM 1223 C LYS A 79 5.474 -9.400 -7.165 1.00 0.00 C ATOM 1224 O LYS A 79 6.003 -9.015 -8.204 1.00 0.00 O ATOM 1225 CB LYS A 79 3.026 -9.490 -7.776 1.00 0.00 C ATOM 1226 CG LYS A 79 2.606 -10.923 -7.497 1.00 0.00 C ATOM 1227 CD LYS A 79 1.358 -11.280 -8.291 1.00 0.00 C ATOM 1228 CE LYS A 79 0.872 -12.688 -7.987 1.00 0.00 C ATOM 1229 NZ LYS A 79 1.839 -13.725 -8.433 1.00 0.00 N ATOM 0 H LYS A 79 4.560 -7.050 -7.572 1.00 0.00 H new ATOM 0 HA LYS A 79 3.831 -9.302 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.142 -8.853 -7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.426 -9.433 -8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.417 -11.603 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.415 -11.051 -6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.567 -10.566 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.569 -11.192 -9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.703 -12.789 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.087 -12.853 -8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.416 -14.668 -8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.072 -13.574 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.706 -13.660 -7.862 1.00 0.00 H new ATOM 1243 N ASN A 80 6.080 -10.195 -6.279 1.00 0.00 N ATOM 1244 CA ASN A 80 7.436 -10.750 -6.457 1.00 0.00 C ATOM 1245 C ASN A 80 8.478 -9.709 -6.885 1.00 0.00 C ATOM 1246 O ASN A 80 9.191 -9.895 -7.872 1.00 0.00 O ATOM 1247 CB ASN A 80 7.463 -11.966 -7.413 1.00 0.00 C ATOM 1248 CG ASN A 80 6.796 -11.745 -8.761 1.00 0.00 C ATOM 1249 OD1 ASN A 80 7.416 -11.262 -9.708 1.00 0.00 O ATOM 1250 ND2 ASN A 80 5.536 -12.138 -8.868 1.00 0.00 N ATOM 0 H ASN A 80 5.641 -10.479 -5.403 1.00 0.00 H new ATOM 0 HA ASN A 80 7.720 -11.094 -5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.501 -12.252 -7.582 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.977 -12.807 -6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.047 -12.045 -9.758 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.055 -12.534 -8.060 1.00 0.00 H new ATOM 1257 N GLY A 81 8.586 -8.627 -6.121 1.00 0.00 N ATOM 1258 CA GLY A 81 9.651 -7.654 -6.333 1.00 0.00 C ATOM 1259 C GLY A 81 9.377 -6.700 -7.473 1.00 0.00 C ATOM 1260 O GLY A 81 10.175 -5.803 -7.740 1.00 0.00 O ATOM 0 H GLY A 81 7.953 -8.403 -5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.797 -7.081 -5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.583 -8.184 -6.529 1.00 0.00 H new ATOM 1264 N LYS A 82 8.256 -6.878 -8.141 1.00 0.00 N ATOM 1265 CA LYS A 82 7.869 -5.988 -9.205 1.00 0.00 C ATOM 1266 C LYS A 82 6.460 -5.501 -8.942 1.00 0.00 C ATOM 1267 O LYS A 82 5.752 -6.093 -8.140 1.00 0.00 O ATOM 1268 CB LYS A 82 7.982 -6.692 -10.556 1.00 0.00 C ATOM 1269 CG LYS A 82 7.059 -7.887 -10.718 1.00 0.00 C ATOM 1270 CD LYS A 82 7.221 -8.521 -12.086 1.00 0.00 C ATOM 1271 CE LYS A 82 6.232 -9.654 -12.293 1.00 0.00 C ATOM 1272 NZ LYS A 82 4.826 -9.174 -12.267 1.00 0.00 N ATOM 0 H LYS A 82 7.597 -7.636 -7.961 1.00 0.00 H new ATOM 0 HA LYS A 82 8.537 -5.128 -9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.768 -5.973 -11.346 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.012 -7.022 -10.696 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.274 -8.624 -9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.025 -7.573 -10.580 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.077 -7.765 -12.858 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.237 -8.899 -12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.432 -10.140 -13.248 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.373 -10.406 -11.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.205 -9.894 -12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.537 -9.000 -11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.751 -8.291 -12.811 1.00 0.00 H new ATOM 1286 N GLU A 83 6.068 -4.414 -9.573 1.00 0.00 N ATOM 1287 CA GLU A 83 4.762 -3.818 -9.334 1.00 0.00 C ATOM 1288 C GLU A 83 3.640 -4.754 -9.799 1.00 0.00 C ATOM 1289 O GLU A 83 3.889 -5.888 -10.216 1.00 0.00 O ATOM 1290 CB GLU A 83 4.695 -2.478 -10.080 1.00 0.00 C ATOM 1291 CG GLU A 83 3.542 -1.575 -9.671 1.00 0.00 C ATOM 1292 CD GLU A 83 3.608 -0.223 -10.346 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.300 0.673 -9.831 1.00 0.00 O ATOM 1294 OE2 GLU A 83 2.983 -0.057 -11.414 1.00 0.00 O ATOM 0 H GLU A 83 6.636 -3.919 -10.261 1.00 0.00 H new ATOM 0 HA GLU A 83 4.625 -3.653 -8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.631 -1.943 -9.920 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.620 -2.677 -11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.598 -2.058 -9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.554 -1.440 -8.589 1.00 0.00 H new ATOM 1301 N VAL A 84 2.409 -4.301 -9.611 1.00 0.00 N ATOM 1302 CA VAL A 84 1.240 -4.851 -10.287 1.00 0.00 C ATOM 1303 C VAL A 84 0.184 -3.765 -10.447 1.00 0.00 C ATOM 1304 O VAL A 84 -0.613 -3.798 -11.384 1.00 0.00 O ATOM 1305 CB VAL A 84 0.611 -6.057 -9.566 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.302 -7.356 -9.943 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.661 -5.854 -8.076 1.00 0.00 C ATOM 0 H VAL A 84 2.190 -3.532 -8.978 1.00 0.00 H new ATOM 0 HA VAL A 84 1.591 -5.210 -11.254 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.429 -6.130 -9.884 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.831 -8.185 -9.415 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.216 -7.515 -11.018 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.355 -7.301 -9.667 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.213 -6.713 -7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.698 -5.749 -7.758 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.108 -4.952 -7.813 1.00 0.00 H new ATOM 1317 N ALA A 85 0.188 -2.797 -9.529 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.736 -1.673 -9.602 1.00 0.00 C ATOM 1319 C ALA A 85 -0.359 -0.575 -8.618 1.00 0.00 C ATOM 1320 O ALA A 85 0.260 -0.834 -7.593 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.165 -2.138 -9.356 1.00 0.00 C ATOM 0 H ALA A 85 0.821 -2.772 -8.729 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.670 -1.257 -10.607 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.841 -1.285 -9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.443 -2.873 -10.111 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.235 -2.589 -8.366 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.726 0.655 -8.951 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.516 1.791 -8.066 1.00 0.00 C ATOM 1329 C LYS A 86 -1.657 2.786 -8.222 1.00 0.00 C ATOM 1330 O LYS A 86 -2.013 3.167 -9.339 1.00 0.00 O ATOM 1331 CB LYS A 86 0.827 2.472 -8.348 1.00 0.00 C ATOM 1332 CG LYS A 86 1.006 2.928 -9.784 1.00 0.00 C ATOM 1333 CD LYS A 86 2.297 3.708 -9.960 1.00 0.00 C ATOM 1334 CE LYS A 86 2.508 4.114 -11.408 1.00 0.00 C ATOM 1335 NZ LYS A 86 1.373 4.918 -11.938 1.00 0.00 N ATOM 0 H LYS A 86 -1.175 0.892 -9.836 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.496 1.426 -7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.929 3.335 -7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.632 1.781 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.010 2.061 -10.445 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.160 3.550 -10.078 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.274 4.598 -9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.138 3.102 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.429 4.690 -11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.635 3.220 -12.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.637 5.328 -12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.541 4.306 -12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.147 5.682 -11.270 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.241 3.190 -7.105 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.419 4.042 -7.128 1.00 0.00 C ATOM 1351 C VAL A 87 -3.253 5.207 -6.168 1.00 0.00 C ATOM 1352 O VAL A 87 -2.910 5.016 -5.005 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.696 3.253 -6.765 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -5.923 4.144 -6.856 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.854 2.036 -7.667 1.00 0.00 C ATOM 0 H VAL A 87 -1.918 2.941 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.526 4.422 -8.144 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.598 2.907 -5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.811 3.568 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.818 4.980 -6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.022 4.524 -7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.760 1.495 -7.393 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.924 2.359 -8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.991 1.381 -7.549 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.504 6.410 -6.648 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.327 7.603 -5.835 1.00 0.00 C ATOM 1367 C VAL A 88 -4.661 8.101 -5.271 1.00 0.00 C ATOM 1368 O VAL A 88 -4.997 9.280 -5.384 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.638 8.731 -6.639 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.198 8.350 -6.952 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.396 9.027 -7.927 1.00 0.00 C ATOM 0 H VAL A 88 -3.831 6.589 -7.597 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.683 7.328 -5.000 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.642 9.634 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.724 9.152 -7.518 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.653 8.192 -6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.184 7.433 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.890 9.824 -8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.429 8.129 -8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.412 9.340 -7.687 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.415 7.201 -4.650 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.697 7.575 -4.094 1.00 0.00 C ATOM 1383 C GLY A 89 -7.525 6.372 -3.705 1.00 0.00 C ATOM 1384 O GLY A 89 -7.698 5.448 -4.502 1.00 0.00 O ATOM 0 H GLY A 89 -5.160 6.222 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.541 8.205 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.246 8.172 -4.822 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.012 6.374 -2.473 1.00 0.00 N ATOM 1389 CA ALA A 90 -8.860 5.309 -1.972 1.00 0.00 C ATOM 1390 C ALA A 90 -10.131 5.175 -2.784 1.00 0.00 C ATOM 1391 O ALA A 90 -10.970 6.077 -2.804 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.217 5.571 -0.528 1.00 0.00 C ATOM 0 H ALA A 90 -7.829 7.114 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.301 4.377 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.854 4.767 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.306 5.616 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.749 6.519 -0.451 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.265 4.057 -3.459 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.483 3.758 -4.174 1.00 0.00 C ATOM 1400 C ASN A 91 -12.116 2.511 -3.573 1.00 0.00 C ATOM 1401 O ASN A 91 -11.824 1.404 -4.018 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.192 3.548 -5.654 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.334 4.026 -6.531 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -13.548 3.993 -5.999 1.00 0.00 O flip ATOM 1405 ND2 ASN A 91 -12.129 4.426 -7.677 1.00 0.00 N flip ATOM 0 H ASN A 91 -9.544 3.339 -3.528 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.174 4.596 -4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.280 4.081 -5.923 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.010 2.490 -5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -11.180 4.436 -8.051 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.908 4.747 -8.252 1.00 0.00 H new ATOM 1412 N PRO A 92 -12.995 2.699 -2.563 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.579 1.643 -1.738 1.00 0.00 C ATOM 1414 C PRO A 92 -13.577 0.245 -2.356 1.00 0.00 C ATOM 1415 O PRO A 92 -12.664 -0.535 -2.109 1.00 0.00 O ATOM 1416 CB PRO A 92 -14.997 2.164 -1.526 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.860 3.658 -1.515 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.507 3.997 -2.110 1.00 0.00 C ATOM 0 HA PRO A 92 -13.000 1.479 -0.829 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.663 1.834 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.416 1.799 -0.589 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.660 4.120 -2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.939 4.043 -0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.598 4.703 -2.936 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.847 4.453 -1.372 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.568 -0.057 -3.184 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.730 -1.408 -3.708 1.00 0.00 C ATOM 1428 C ALA A 93 -13.857 -1.650 -4.928 1.00 0.00 C ATOM 1429 O ALA A 93 -13.408 -2.772 -5.162 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.188 -1.671 -4.039 1.00 0.00 C ATOM 0 H ALA A 93 -15.269 0.610 -3.506 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.408 -2.104 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.296 -2.683 -4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.791 -1.564 -3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.526 -0.955 -4.788 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.606 -0.599 -5.691 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.811 -0.709 -6.906 1.00 0.00 C ATOM 1438 C ALA A 94 -11.403 -1.192 -6.604 1.00 0.00 C ATOM 1439 O ALA A 94 -10.820 -1.946 -7.382 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.762 0.623 -7.633 1.00 0.00 C ATOM 0 H ALA A 94 -13.942 0.343 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.291 -1.446 -7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -12.164 0.522 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.774 0.930 -7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.314 1.375 -6.984 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.853 -0.773 -5.474 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.513 -1.193 -5.118 1.00 0.00 C ATOM 1448 C ILE A 95 -9.535 -2.563 -4.447 1.00 0.00 C ATOM 1449 O ILE A 95 -8.581 -3.328 -4.571 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.782 -0.177 -4.222 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.802 1.217 -4.847 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.349 -0.621 -4.002 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -8.283 1.261 -6.270 1.00 0.00 C ATOM 0 H ILE A 95 -11.306 -0.154 -4.801 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.954 -1.256 -6.052 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.300 -0.131 -3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.824 1.596 -4.832 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.203 1.889 -4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.837 0.102 -3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.341 -1.598 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.837 -0.687 -4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.330 2.284 -6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.250 0.914 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.896 0.617 -6.901 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.622 -2.890 -3.749 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.791 -4.256 -3.254 1.00 0.00 C ATOM 1467 C LYS A 96 -10.782 -5.195 -4.458 1.00 0.00 C ATOM 1468 O LYS A 96 -10.192 -6.275 -4.433 1.00 0.00 O ATOM 1469 CB LYS A 96 -12.098 -4.449 -2.463 1.00 0.00 C ATOM 1470 CG LYS A 96 -12.438 -3.336 -1.490 1.00 0.00 C ATOM 1471 CD LYS A 96 -13.846 -3.491 -0.926 1.00 0.00 C ATOM 1472 CE LYS A 96 -13.994 -4.754 -0.095 1.00 0.00 C ATOM 1473 NZ LYS A 96 -15.385 -4.924 0.400 1.00 0.00 N ATOM 0 H LYS A 96 -11.380 -2.248 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.974 -4.473 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.920 -4.553 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.033 -5.386 -1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.717 -3.334 -0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.352 -2.373 -1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.087 -2.623 -0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.564 -3.511 -1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.712 -5.620 -0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.308 -4.716 0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.394 -5.612 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.747 -4.010 0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.989 -5.269 -0.373 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.420 -4.738 -5.530 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.422 -5.452 -6.796 1.00 0.00 C ATOM 1489 C GLN A 97 -10.018 -5.474 -7.401 1.00 0.00 C ATOM 1490 O GLN A 97 -9.620 -6.453 -8.045 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.417 -4.793 -7.763 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.489 -5.462 -9.127 1.00 0.00 C ATOM 1493 CD GLN A 97 -12.955 -6.903 -9.046 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -14.151 -7.185 -9.105 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -12.014 -7.823 -8.913 1.00 0.00 N ATOM 0 H GLN A 97 -11.948 -3.865 -5.543 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.731 -6.482 -6.621 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.409 -4.805 -7.311 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.140 -3.747 -7.897 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.168 -4.900 -9.768 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.506 -5.428 -9.597 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.033 -7.547 -8.868 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.269 -8.809 -8.855 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.257 -4.408 -7.166 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.905 -4.323 -7.675 1.00 0.00 C ATOM 1506 C ALA A 98 -7.089 -5.438 -7.083 1.00 0.00 C ATOM 1507 O ALA A 98 -6.633 -6.306 -7.805 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.288 -2.970 -7.365 1.00 0.00 C ATOM 0 H ALA A 98 -9.559 -3.597 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.922 -4.426 -8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.272 -2.934 -7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.884 -2.184 -7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.264 -2.820 -6.286 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.976 -5.442 -5.761 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.156 -6.418 -5.047 1.00 0.00 C ATOM 1516 C ILE A 99 -6.471 -7.835 -5.519 1.00 0.00 C ATOM 1517 O ILE A 99 -5.587 -8.677 -5.639 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.382 -6.360 -3.520 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.512 -4.917 -3.027 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.247 -7.073 -2.807 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.497 -3.977 -3.615 1.00 0.00 C ATOM 0 H ILE A 99 -7.448 -4.772 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.118 -6.165 -5.263 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.320 -6.865 -3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.511 -4.551 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.417 -4.905 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.410 -7.030 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.213 -8.114 -3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.302 -6.587 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.655 -2.975 -3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.494 -4.316 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.605 -3.957 -4.699 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.745 -8.077 -5.810 1.00 0.00 N ATOM 1534 CA ALA A 100 -8.197 -9.389 -6.253 1.00 0.00 C ATOM 1535 C ALA A 100 -7.823 -9.657 -7.715 1.00 0.00 C ATOM 1536 O ALA A 100 -7.806 -10.805 -8.155 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.698 -9.517 -6.056 1.00 0.00 C ATOM 0 H ALA A 100 -8.485 -7.378 -5.746 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.690 -10.139 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.026 -10.501 -6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.938 -9.394 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.208 -8.748 -6.636 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.518 -8.603 -8.463 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.162 -8.735 -9.863 1.00 0.00 C ATOM 1545 C ALA A 101 -5.661 -8.917 -10.002 1.00 0.00 C ATOM 1546 O ALA A 101 -5.184 -9.669 -10.852 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.618 -7.511 -10.641 1.00 0.00 C ATOM 0 H ALA A 101 -7.511 -7.644 -8.117 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.663 -9.612 -10.272 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.344 -7.624 -11.690 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.700 -7.409 -10.557 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.137 -6.621 -10.234 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.920 -8.220 -9.154 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.467 -8.274 -9.192 1.00 0.00 C ATOM 1555 C ASN A 102 -2.924 -9.450 -8.389 1.00 0.00 C ATOM 1556 O ASN A 102 -1.745 -9.789 -8.502 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.846 -6.943 -8.735 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.591 -6.219 -7.642 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -3.449 -6.517 -6.466 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.377 -5.227 -8.025 1.00 0.00 N ATOM 0 H ASN A 102 -5.301 -7.610 -8.431 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.175 -8.434 -10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.830 -7.136 -8.392 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -2.771 -6.282 -9.598 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.888 -4.683 -7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.472 -5.005 -9.016 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.783 -10.085 -7.602 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.396 -11.288 -6.875 1.00 0.00 C ATOM 1569 C ALA A 103 -3.604 -12.525 -7.740 1.00 0.00 C ATOM 1570 O ALA A 103 -2.634 -12.974 -8.385 1.00 0.00 O ATOM 1571 CB ALA A 103 -4.180 -11.413 -5.576 1.00 0.00 C ATOM 1572 OXT ALA A 103 -4.738 -13.045 -7.780 1.00 0.00 O ATOM 0 H ALA A 103 -4.747 -9.789 -7.451 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.337 -11.209 -6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.874 -12.318 -5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.983 -10.545 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.246 -11.466 -5.798 1.00 0.00 H new TER 1578 ALA A 103