USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 810 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 45 LYS NZ :NH3+ 145:sc= -0.281 (180deg=-1.63) USER MOD Set 1.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 57 THR OG1 : rot -120:sc= -1.46! USER MOD Set 2.2: A 59 LYS NZ :NH3+ 161:sc= 0.649 (180deg=0) USER MOD Set 3.1: A 21 LYS NZ :NH3+ -152:sc= -7.35! (180deg=-2.38!) USER MOD Set 3.2: A 85 MET CE :methyl -143:sc= -5.81! (180deg=-1.12) USER MOD Single : A 12 LYS NZ :NH3+ -152:sc= -2.13! (180deg=-3.55!) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= -2.41 (180deg=-2.54) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 36 THR OG1 : rot 49:sc= 0.626! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -170:sc= 0.00018 USER MOD Single : A 50 ASN : amide:sc= -1.47! C(o=-1.5!,f=-9!) USER MOD Single : A 53 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.043) USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.0283 (180deg=-0.339) USER MOD Single : A 64 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.15) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.27 USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.155) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= -4.44! (180deg=-4.55!) USER MOD Single : A 79 SER OG : rot -35:sc= -1.73! USER MOD Single : A 80 ASN : amide:sc= -2.61! K(o=-2.6!,f=-1.9) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 143:sc= 0.466 (180deg=-0.485!) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.488 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 -7.646 10.429 -8.668 1.00 3.54 N ATOM 2 CA PRO A 2 -8.310 9.879 -9.881 1.00 3.22 C ATOM 3 C PRO A 2 -9.590 9.112 -9.538 1.00 2.97 C ATOM 4 O PRO A 2 -10.682 9.487 -9.916 1.00 3.29 O ATOM 5 CB PRO A 2 -7.272 8.918 -10.469 1.00 2.98 C ATOM 6 CG PRO A 2 -6.323 8.576 -9.360 1.00 2.96 C ATOM 7 CD PRO A 2 -6.560 9.554 -8.204 1.00 3.44 C ATOM 0 HA PRO A 2 -8.611 10.672 -10.566 1.00 3.22 H new ATOM 0 HB2 PRO A 2 -7.753 8.020 -10.858 1.00 2.98 H new ATOM 0 HB3 PRO A 2 -6.743 9.382 -11.301 1.00 2.98 H new ATOM 0 HG2 PRO A 2 -6.481 7.550 -9.028 1.00 2.96 H new ATOM 0 HG3 PRO A 2 -5.292 8.643 -9.708 1.00 2.96 H new ATOM 0 HD2 PRO A 2 -6.839 9.027 -7.291 1.00 3.44 H new ATOM 0 HD3 PRO A 2 -5.660 10.126 -7.979 1.00 3.44 H new ATOM 17 N ALA A 3 -9.445 8.042 -8.816 1.00 2.90 N ATOM 18 CA ALA A 3 -10.612 7.215 -8.410 1.00 2.92 C ATOM 19 C ALA A 3 -10.178 6.392 -7.203 1.00 2.53 C ATOM 20 O ALA A 3 -8.995 6.194 -7.001 1.00 2.98 O ATOM 21 CB ALA A 3 -11.017 6.287 -9.556 1.00 3.57 C ATOM 0 H ALA A 3 -8.545 7.697 -8.482 1.00 2.90 H new ATOM 0 HA ALA A 3 -11.468 7.843 -8.165 1.00 2.92 H new ATOM 0 HB1 ALA A 3 -11.873 5.684 -9.251 1.00 3.57 H new ATOM 0 HB2 ALA A 3 -11.285 6.882 -10.429 1.00 3.57 H new ATOM 0 HB3 ALA A 3 -10.182 5.632 -9.806 1.00 3.57 H new ATOM 27 N ILE A 4 -11.084 5.911 -6.391 1.00 2.32 N ATOM 28 CA ILE A 4 -10.657 5.113 -5.207 1.00 2.33 C ATOM 29 C ILE A 4 -11.053 3.659 -5.430 1.00 1.75 C ATOM 30 O ILE A 4 -12.184 3.351 -5.752 1.00 2.20 O ATOM 31 CB ILE A 4 -11.385 5.640 -3.968 1.00 3.33 C ATOM 32 CG1 ILE A 4 -11.085 7.136 -3.811 1.00 4.20 C ATOM 33 CG2 ILE A 4 -10.918 4.866 -2.726 1.00 3.78 C ATOM 34 CD1 ILE A 4 -11.915 7.722 -2.664 1.00 5.43 C ATOM 0 H ILE A 4 -12.091 6.035 -6.496 1.00 2.32 H new ATOM 0 HA ILE A 4 -9.579 5.192 -5.068 1.00 2.33 H new ATOM 0 HB ILE A 4 -12.460 5.500 -4.080 1.00 3.33 H new ATOM 0 HG12 ILE A 4 -10.023 7.283 -3.614 1.00 4.20 H new ATOM 0 HG13 ILE A 4 -11.312 7.660 -4.739 1.00 4.20 H new ATOM 0 HG21 ILE A 4 -11.438 5.243 -1.845 1.00 3.78 H new ATOM 0 HG22 ILE A 4 -11.141 3.806 -2.853 1.00 3.78 H new ATOM 0 HG23 ILE A 4 -9.844 4.998 -2.597 1.00 3.78 H new ATOM 0 HD11 ILE A 4 -11.694 8.784 -2.561 1.00 5.43 H new ATOM 0 HD12 ILE A 4 -12.976 7.591 -2.878 1.00 5.43 H new ATOM 0 HD13 ILE A 4 -11.666 7.208 -1.735 1.00 5.43 H new ATOM 46 N GLU A 5 -10.146 2.756 -5.189 1.00 1.58 N ATOM 47 CA GLU A 5 -10.460 1.311 -5.302 1.00 1.64 C ATOM 48 C GLU A 5 -9.602 0.549 -4.302 1.00 1.26 C ATOM 49 O GLU A 5 -8.595 1.039 -3.831 1.00 1.71 O ATOM 50 CB GLU A 5 -10.247 0.765 -6.711 1.00 2.56 C ATOM 51 CG GLU A 5 -11.176 1.482 -7.689 1.00 3.25 C ATOM 52 CD GLU A 5 -11.039 0.850 -9.072 1.00 4.18 C ATOM 53 OE1 GLU A 5 -10.156 0.025 -9.241 1.00 4.68 O ATOM 54 OE2 GLU A 5 -11.821 1.199 -9.941 1.00 4.72 O ATOM 0 H GLU A 5 -9.186 2.964 -4.914 1.00 1.58 H new ATOM 0 HA GLU A 5 -11.519 1.177 -5.082 1.00 1.64 H new ATOM 0 HB2 GLU A 5 -9.209 0.905 -7.012 1.00 2.56 H new ATOM 0 HB3 GLU A 5 -10.442 -0.307 -6.729 1.00 2.56 H new ATOM 0 HG2 GLU A 5 -12.208 1.412 -7.345 1.00 3.25 H new ATOM 0 HG3 GLU A 5 -10.926 2.542 -7.735 1.00 3.25 H new ATOM 61 N VAL A 6 -9.993 -0.637 -3.978 1.00 1.37 N ATOM 62 CA VAL A 6 -9.234 -1.463 -3.014 1.00 1.13 C ATOM 63 C VAL A 6 -8.399 -2.466 -3.821 1.00 0.99 C ATOM 64 O VAL A 6 -8.841 -2.969 -4.822 1.00 1.03 O ATOM 65 CB VAL A 6 -10.226 -2.148 -2.089 1.00 1.36 C ATOM 66 CG1 VAL A 6 -9.480 -2.867 -0.974 1.00 2.38 C ATOM 67 CG2 VAL A 6 -11.145 -1.082 -1.491 1.00 1.54 C ATOM 0 H VAL A 6 -10.831 -1.084 -4.350 1.00 1.37 H new ATOM 0 HA VAL A 6 -8.559 -0.870 -2.396 1.00 1.13 H new ATOM 0 HB VAL A 6 -10.812 -2.879 -2.646 1.00 1.36 H new ATOM 0 HG11 VAL A 6 -10.196 -3.356 -0.314 1.00 2.38 H new ATOM 0 HG12 VAL A 6 -8.814 -3.615 -1.405 1.00 2.38 H new ATOM 0 HG13 VAL A 6 -8.895 -2.146 -0.404 1.00 2.38 H new ATOM 0 HG21 VAL A 6 -11.865 -1.555 -0.823 1.00 1.54 H new ATOM 0 HG22 VAL A 6 -10.550 -0.361 -0.931 1.00 1.54 H new ATOM 0 HG23 VAL A 6 -11.676 -0.569 -2.292 1.00 1.54 H new ATOM 77 N GLY A 7 -7.204 -2.767 -3.403 1.00 0.95 N ATOM 78 CA GLY A 7 -6.364 -3.746 -4.164 1.00 0.96 C ATOM 79 C GLY A 7 -5.395 -3.004 -5.101 1.00 0.91 C ATOM 80 O GLY A 7 -4.564 -3.603 -5.756 1.00 1.47 O ATOM 0 H GLY A 7 -6.767 -2.380 -2.567 1.00 0.95 H new ATOM 0 HA2 GLY A 7 -5.802 -4.370 -3.469 1.00 0.96 H new ATOM 0 HA3 GLY A 7 -7.004 -4.411 -4.744 1.00 0.96 H new ATOM 84 N ARG A 8 -5.488 -1.704 -5.149 1.00 0.62 N ATOM 85 CA ARG A 8 -4.573 -0.891 -6.012 1.00 0.60 C ATOM 86 C ARG A 8 -3.305 -0.489 -5.237 1.00 0.52 C ATOM 87 O ARG A 8 -3.186 -0.756 -4.058 1.00 0.57 O ATOM 88 CB ARG A 8 -5.254 0.384 -6.528 1.00 0.67 C ATOM 89 CG ARG A 8 -6.384 0.063 -7.512 1.00 1.19 C ATOM 90 CD ARG A 8 -6.887 1.386 -8.097 1.00 1.16 C ATOM 91 NE ARG A 8 -8.032 1.155 -9.022 1.00 1.98 N ATOM 92 CZ ARG A 8 -8.408 2.116 -9.826 1.00 2.55 C ATOM 93 NH1 ARG A 8 -7.888 3.307 -9.699 1.00 2.63 N ATOM 94 NH2 ARG A 8 -9.310 1.896 -10.741 1.00 3.56 N ATOM 0 H ARG A 8 -6.169 -1.159 -4.620 1.00 0.62 H new ATOM 0 HA ARG A 8 -4.309 -1.519 -6.863 1.00 0.60 H new ATOM 0 HB2 ARG A 8 -5.654 0.949 -5.686 1.00 0.67 H new ATOM 0 HB3 ARG A 8 -4.515 1.019 -7.017 1.00 0.67 H new ATOM 0 HG2 ARG A 8 -6.025 -0.593 -8.305 1.00 1.19 H new ATOM 0 HG3 ARG A 8 -7.193 -0.463 -7.006 1.00 1.19 H new ATOM 0 HD2 ARG A 8 -7.194 2.052 -7.291 1.00 1.16 H new ATOM 0 HD3 ARG A 8 -6.077 1.884 -8.631 1.00 1.16 H new ATOM 0 HE ARG A 8 -8.517 0.258 -9.028 1.00 1.98 H new ATOM 0 HH11 ARG A 8 -7.192 3.485 -8.975 1.00 2.63 H new ATOM 0 HH12 ARG A 8 -8.178 4.059 -10.324 1.00 2.63 H new ATOM 0 HH21 ARG A 8 -9.727 0.970 -10.833 1.00 3.56 H new ATOM 0 HH22 ARG A 8 -9.598 2.650 -11.364 1.00 3.56 H new ATOM 108 N ILE A 9 -2.363 0.189 -5.878 1.00 0.50 N ATOM 109 CA ILE A 9 -1.133 0.633 -5.138 1.00 0.51 C ATOM 110 C ILE A 9 -1.383 2.064 -4.703 1.00 0.41 C ATOM 111 O ILE A 9 -1.930 2.868 -5.453 1.00 0.39 O ATOM 112 CB ILE A 9 0.114 0.683 -6.039 1.00 0.64 C ATOM 113 CG1 ILE A 9 0.392 -0.680 -6.675 1.00 1.05 C ATOM 114 CG2 ILE A 9 1.340 1.117 -5.201 1.00 0.92 C ATOM 115 CD1 ILE A 9 1.558 -0.538 -7.664 1.00 1.43 C ATOM 0 H ILE A 9 -2.397 0.447 -6.864 1.00 0.50 H new ATOM 0 HA ILE A 9 -0.954 -0.068 -4.323 1.00 0.51 H new ATOM 0 HB ILE A 9 -0.070 1.404 -6.836 1.00 0.64 H new ATOM 0 HG12 ILE A 9 0.637 -1.412 -5.906 1.00 1.05 H new ATOM 0 HG13 ILE A 9 -0.497 -1.044 -7.190 1.00 1.05 H new ATOM 0 HG21 ILE A 9 2.223 1.152 -5.839 1.00 0.92 H new ATOM 0 HG22 ILE A 9 1.159 2.105 -4.776 1.00 0.92 H new ATOM 0 HG23 ILE A 9 1.503 0.400 -4.396 1.00 0.92 H new ATOM 0 HD11 ILE A 9 1.765 -1.504 -8.124 1.00 1.43 H new ATOM 0 HD12 ILE A 9 1.293 0.183 -8.438 1.00 1.43 H new ATOM 0 HD13 ILE A 9 2.445 -0.191 -7.134 1.00 1.43 H new ATOM 127 N CYS A 10 -1.024 2.395 -3.494 1.00 0.40 N ATOM 128 CA CYS A 10 -1.261 3.756 -2.972 1.00 0.35 C ATOM 129 C CYS A 10 0.031 4.344 -2.410 1.00 0.35 C ATOM 130 O CYS A 10 0.928 3.631 -2.005 1.00 0.40 O ATOM 131 CB CYS A 10 -2.230 3.620 -1.801 1.00 0.36 C ATOM 132 SG CYS A 10 -1.764 2.151 -0.820 1.00 1.19 S ATOM 0 H CYS A 10 -0.567 1.761 -2.838 1.00 0.40 H new ATOM 0 HA CYS A 10 -1.640 4.394 -3.770 1.00 0.35 H new ATOM 0 HB2 CYS A 10 -2.199 4.515 -1.179 1.00 0.36 H new ATOM 0 HB3 CYS A 10 -3.252 3.521 -2.166 1.00 0.36 H new ATOM 137 N VAL A 11 0.085 5.641 -2.318 1.00 0.34 N ATOM 138 CA VAL A 11 1.266 6.314 -1.702 1.00 0.41 C ATOM 139 C VAL A 11 0.743 7.085 -0.494 1.00 0.41 C ATOM 140 O VAL A 11 -0.260 7.757 -0.598 1.00 0.39 O ATOM 141 CB VAL A 11 1.887 7.292 -2.701 1.00 0.53 C ATOM 142 CG1 VAL A 11 3.135 7.930 -2.087 1.00 0.79 C ATOM 143 CG2 VAL A 11 2.277 6.536 -3.973 1.00 0.95 C ATOM 0 H VAL A 11 -0.645 6.273 -2.646 1.00 0.34 H new ATOM 0 HA VAL A 11 2.027 5.589 -1.416 1.00 0.41 H new ATOM 0 HB VAL A 11 1.164 8.071 -2.944 1.00 0.53 H new ATOM 0 HG11 VAL A 11 3.576 8.626 -2.800 1.00 0.79 H new ATOM 0 HG12 VAL A 11 2.860 8.466 -1.179 1.00 0.79 H new ATOM 0 HG13 VAL A 11 3.859 7.152 -1.844 1.00 0.79 H new ATOM 0 HG21 VAL A 11 2.720 7.230 -4.687 1.00 0.95 H new ATOM 0 HG22 VAL A 11 3.000 5.758 -3.727 1.00 0.95 H new ATOM 0 HG23 VAL A 11 1.389 6.081 -4.412 1.00 0.95 H new ATOM 153 N LYS A 12 1.349 6.993 0.663 1.00 0.50 N ATOM 154 CA LYS A 12 0.769 7.732 1.823 1.00 0.58 C ATOM 155 C LYS A 12 1.381 9.110 2.010 1.00 0.66 C ATOM 156 O LYS A 12 2.557 9.231 2.291 1.00 0.86 O ATOM 157 CB LYS A 12 1.092 6.921 3.091 1.00 0.77 C ATOM 158 CG LYS A 12 0.438 7.525 4.351 1.00 1.44 C ATOM 159 CD LYS A 12 -1.072 7.259 4.377 1.00 1.81 C ATOM 160 CE LYS A 12 -1.646 7.765 5.701 1.00 2.64 C ATOM 161 NZ LYS A 12 -1.881 6.614 6.615 1.00 3.12 N ATOM 0 H LYS A 12 2.195 6.455 0.852 1.00 0.50 H new ATOM 0 HA LYS A 12 -0.299 7.855 1.642 1.00 0.58 H new ATOM 0 HB2 LYS A 12 0.748 5.895 2.961 1.00 0.77 H new ATOM 0 HB3 LYS A 12 2.172 6.880 3.229 1.00 0.77 H new ATOM 0 HG2 LYS A 12 0.900 7.100 5.242 1.00 1.44 H new ATOM 0 HG3 LYS A 12 0.621 8.599 4.379 1.00 1.44 H new ATOM 0 HD2 LYS A 12 -1.557 7.762 3.540 1.00 1.81 H new ATOM 0 HD3 LYS A 12 -1.268 6.193 4.265 1.00 1.81 H new ATOM 0 HE2 LYS A 12 -0.957 8.473 6.161 1.00 2.64 H new ATOM 0 HE3 LYS A 12 -2.580 8.299 5.524 1.00 2.64 H new ATOM 0 HZ1 LYS A 12 -2.658 6.842 7.267 1.00 3.12 H new ATOM 0 HZ2 LYS A 12 -2.132 5.773 6.057 1.00 3.12 H new ATOM 0 HZ3 LYS A 12 -1.017 6.422 7.160 1.00 3.12 H new ATOM 175 N VAL A 13 0.581 10.147 1.934 1.00 0.63 N ATOM 176 CA VAL A 13 1.119 11.503 2.196 1.00 0.80 C ATOM 177 C VAL A 13 0.418 12.042 3.437 1.00 0.93 C ATOM 178 O VAL A 13 -0.793 12.065 3.528 1.00 0.88 O ATOM 179 CB VAL A 13 0.835 12.413 1.011 1.00 0.82 C ATOM 180 CG1 VAL A 13 1.456 13.790 1.255 1.00 1.69 C ATOM 181 CG2 VAL A 13 1.446 11.810 -0.254 1.00 1.27 C ATOM 0 H VAL A 13 -0.412 10.106 1.703 1.00 0.63 H new ATOM 0 HA VAL A 13 2.198 11.463 2.347 1.00 0.80 H new ATOM 0 HB VAL A 13 -0.244 12.514 0.890 1.00 0.82 H new ATOM 0 HG11 VAL A 13 1.250 14.438 0.403 1.00 1.69 H new ATOM 0 HG12 VAL A 13 1.027 14.228 2.156 1.00 1.69 H new ATOM 0 HG13 VAL A 13 2.534 13.686 1.379 1.00 1.69 H new ATOM 0 HG21 VAL A 13 1.242 12.462 -1.103 1.00 1.27 H new ATOM 0 HG22 VAL A 13 2.524 11.708 -0.125 1.00 1.27 H new ATOM 0 HG23 VAL A 13 1.008 10.829 -0.437 1.00 1.27 H new ATOM 191 N LYS A 14 1.180 12.507 4.371 1.00 1.19 N ATOM 192 CA LYS A 14 0.608 13.091 5.604 1.00 1.42 C ATOM 193 C LYS A 14 1.479 14.266 6.043 1.00 1.67 C ATOM 194 O LYS A 14 2.483 14.559 5.425 1.00 1.73 O ATOM 195 CB LYS A 14 0.427 12.021 6.682 1.00 1.43 C ATOM 196 CG LYS A 14 1.760 11.512 7.198 1.00 1.52 C ATOM 197 CD LYS A 14 1.475 10.357 8.170 1.00 1.56 C ATOM 198 CE LYS A 14 2.727 9.989 8.963 1.00 2.28 C ATOM 199 NZ LYS A 14 3.161 11.154 9.783 1.00 2.43 N ATOM 0 H LYS A 14 2.199 12.508 4.333 1.00 1.19 H new ATOM 0 HA LYS A 14 -0.393 13.479 5.415 1.00 1.42 H new ATOM 0 HB2 LYS A 14 -0.150 12.433 7.510 1.00 1.43 H new ATOM 0 HB3 LYS A 14 -0.148 11.189 6.276 1.00 1.43 H new ATOM 0 HG2 LYS A 14 2.385 11.171 6.372 1.00 1.52 H new ATOM 0 HG3 LYS A 14 2.305 12.310 7.702 1.00 1.52 H new ATOM 0 HD2 LYS A 14 0.677 10.642 8.855 1.00 1.56 H new ATOM 0 HD3 LYS A 14 1.123 9.488 7.615 1.00 1.56 H new ATOM 0 HE2 LYS A 14 2.523 9.134 9.608 1.00 2.28 H new ATOM 0 HE3 LYS A 14 3.526 9.692 8.283 1.00 2.28 H new ATOM 0 HZ1 LYS A 14 4.051 10.924 10.269 1.00 2.43 H new ATOM 0 HZ2 LYS A 14 3.307 11.978 9.166 1.00 2.43 H new ATOM 0 HZ3 LYS A 14 2.429 11.375 10.488 1.00 2.43 H new ATOM 213 N GLY A 15 1.098 14.969 7.066 1.00 1.91 N ATOM 214 CA GLY A 15 1.922 16.144 7.464 1.00 2.20 C ATOM 215 C GLY A 15 3.110 15.654 8.291 1.00 2.22 C ATOM 216 O GLY A 15 3.029 14.681 9.014 1.00 2.26 O ATOM 0 H GLY A 15 0.271 14.790 7.635 1.00 1.91 H new ATOM 0 HA2 GLY A 15 2.272 16.677 6.580 1.00 2.20 H new ATOM 0 HA3 GLY A 15 1.323 16.847 8.043 1.00 2.20 H new ATOM 220 N ARG A 16 4.242 16.284 8.111 1.00 2.31 N ATOM 221 CA ARG A 16 5.473 15.813 8.802 1.00 2.37 C ATOM 222 C ARG A 16 5.584 14.307 8.552 1.00 2.28 C ATOM 223 O ARG A 16 5.070 13.522 9.318 1.00 2.27 O ATOM 224 CB ARG A 16 5.354 16.079 10.306 1.00 2.49 C ATOM 225 CG ARG A 16 6.666 15.703 11.000 1.00 2.87 C ATOM 226 CD ARG A 16 6.513 15.870 12.514 1.00 3.02 C ATOM 227 NE ARG A 16 6.202 17.293 12.831 1.00 3.63 N ATOM 228 CZ ARG A 16 6.198 17.701 14.072 1.00 4.15 C ATOM 229 NH1 ARG A 16 6.458 16.862 15.036 1.00 4.18 N ATOM 230 NH2 ARG A 16 5.934 18.949 14.347 1.00 4.93 N ATOM 0 H ARG A 16 4.364 17.103 7.516 1.00 2.31 H new ATOM 0 HA ARG A 16 6.353 16.335 8.427 1.00 2.37 H new ATOM 0 HB2 ARG A 16 5.126 17.130 10.483 1.00 2.49 H new ATOM 0 HB3 ARG A 16 4.531 15.500 10.724 1.00 2.49 H new ATOM 0 HG2 ARG A 16 6.932 14.673 10.763 1.00 2.87 H new ATOM 0 HG3 ARG A 16 7.476 16.334 10.635 1.00 2.87 H new ATOM 0 HD2 ARG A 16 5.718 15.222 12.883 1.00 3.02 H new ATOM 0 HD3 ARG A 16 7.431 15.567 13.018 1.00 3.02 H new ATOM 0 HE ARG A 16 5.992 17.949 12.078 1.00 3.63 H new ATOM 0 HH11 ARG A 16 6.665 15.887 14.821 1.00 4.18 H new ATOM 0 HH12 ARG A 16 6.455 17.181 16.005 1.00 4.18 H new ATOM 0 HH21 ARG A 16 5.731 19.605 13.593 1.00 4.93 H new ATOM 0 HH22 ARG A 16 5.931 19.268 15.316 1.00 4.93 H new ATOM 244 N GLU A 17 6.208 13.939 7.437 1.00 2.28 N ATOM 245 CA GLU A 17 6.361 12.518 6.986 1.00 2.23 C ATOM 246 C GLU A 17 5.515 12.387 5.715 1.00 1.93 C ATOM 247 O GLU A 17 4.538 13.087 5.555 1.00 2.50 O ATOM 248 CB GLU A 17 5.904 11.505 8.043 1.00 2.57 C ATOM 249 CG GLU A 17 6.267 10.083 7.600 1.00 2.68 C ATOM 250 CD GLU A 17 7.787 9.912 7.620 1.00 2.78 C ATOM 251 OE1 GLU A 17 8.436 10.639 8.354 1.00 3.13 O ATOM 252 OE2 GLU A 17 8.276 9.059 6.899 1.00 3.04 O ATOM 0 H GLU A 17 6.634 14.611 6.799 1.00 2.28 H new ATOM 0 HA GLU A 17 7.413 12.295 6.808 1.00 2.23 H new ATOM 0 HB2 GLU A 17 6.376 11.728 9.000 1.00 2.57 H new ATOM 0 HB3 GLU A 17 4.827 11.584 8.193 1.00 2.57 H new ATOM 0 HG2 GLU A 17 5.800 9.354 8.263 1.00 2.68 H new ATOM 0 HG3 GLU A 17 5.883 9.894 6.598 1.00 2.68 H new ATOM 259 N ALA A 18 5.885 11.490 4.837 1.00 1.46 N ATOM 260 CA ALA A 18 5.105 11.290 3.562 1.00 1.34 C ATOM 261 C ALA A 18 5.954 10.675 2.439 1.00 1.18 C ATOM 262 O ALA A 18 6.403 11.373 1.553 1.00 1.77 O ATOM 263 CB ALA A 18 4.593 12.646 3.052 1.00 1.78 C ATOM 0 H ALA A 18 6.697 10.881 4.942 1.00 1.46 H new ATOM 0 HA ALA A 18 4.289 10.609 3.803 1.00 1.34 H new ATOM 0 HB1 ALA A 18 4.030 12.499 2.131 1.00 1.78 H new ATOM 0 HB2 ALA A 18 3.946 13.097 3.805 1.00 1.78 H new ATOM 0 HB3 ALA A 18 5.439 13.305 2.859 1.00 1.78 H new ATOM 269 N GLY A 19 6.105 9.381 2.391 1.00 1.06 N ATOM 270 CA GLY A 19 6.826 8.785 1.232 1.00 1.02 C ATOM 271 C GLY A 19 6.898 7.264 1.368 1.00 0.78 C ATOM 272 O GLY A 19 7.914 6.717 1.750 1.00 0.90 O ATOM 0 H GLY A 19 5.767 8.720 3.091 1.00 1.06 H new ATOM 0 HA2 GLY A 19 6.317 9.049 0.305 1.00 1.02 H new ATOM 0 HA3 GLY A 19 7.833 9.198 1.171 1.00 1.02 H new ATOM 276 N SER A 20 5.875 6.569 0.955 1.00 0.62 N ATOM 277 CA SER A 20 5.947 5.082 0.948 1.00 0.54 C ATOM 278 C SER A 20 4.861 4.541 0.020 1.00 0.48 C ATOM 279 O SER A 20 3.788 5.105 -0.055 1.00 0.53 O ATOM 280 CB SER A 20 5.727 4.543 2.361 1.00 0.71 C ATOM 281 OG SER A 20 4.372 4.749 2.735 1.00 1.36 O ATOM 0 H SER A 20 4.995 6.965 0.623 1.00 0.62 H new ATOM 0 HA SER A 20 6.929 4.765 0.598 1.00 0.54 H new ATOM 0 HB2 SER A 20 5.970 3.481 2.400 1.00 0.71 H new ATOM 0 HB3 SER A 20 6.391 5.048 3.063 1.00 0.71 H new ATOM 0 HG SER A 20 4.226 4.403 3.640 1.00 1.36 H new ATOM 287 N LYS A 21 5.091 3.436 -0.637 1.00 0.45 N ATOM 288 CA LYS A 21 4.030 2.847 -1.508 1.00 0.44 C ATOM 289 C LYS A 21 3.300 1.772 -0.726 1.00 0.39 C ATOM 290 O LYS A 21 3.870 1.104 0.109 1.00 0.39 O ATOM 291 CB LYS A 21 4.628 2.266 -2.788 1.00 0.51 C ATOM 292 CG LYS A 21 5.199 3.415 -3.609 1.00 1.45 C ATOM 293 CD LYS A 21 5.715 2.912 -4.953 1.00 1.74 C ATOM 294 CE LYS A 21 6.385 4.076 -5.682 1.00 2.27 C ATOM 295 NZ LYS A 21 7.071 3.578 -6.900 1.00 3.16 N ATOM 0 H LYS A 21 5.967 2.915 -0.609 1.00 0.45 H new ATOM 0 HA LYS A 21 3.331 3.630 -1.802 1.00 0.44 H new ATOM 0 HB2 LYS A 21 5.409 1.544 -2.549 1.00 0.51 H new ATOM 0 HB3 LYS A 21 3.865 1.734 -3.357 1.00 0.51 H new ATOM 0 HG2 LYS A 21 4.431 4.172 -3.769 1.00 1.45 H new ATOM 0 HG3 LYS A 21 6.009 3.894 -3.059 1.00 1.45 H new ATOM 0 HD2 LYS A 21 6.425 2.098 -4.806 1.00 1.74 H new ATOM 0 HD3 LYS A 21 4.894 2.514 -5.549 1.00 1.74 H new ATOM 0 HE2 LYS A 21 5.640 4.824 -5.953 1.00 2.27 H new ATOM 0 HE3 LYS A 21 7.103 4.565 -5.023 1.00 2.27 H new ATOM 0 HZ1 LYS A 21 7.875 4.199 -7.124 1.00 3.16 H new ATOM 0 HZ2 LYS A 21 7.416 2.611 -6.733 1.00 3.16 H new ATOM 0 HZ3 LYS A 21 6.404 3.575 -7.698 1.00 3.16 H new ATOM 309 N CYS A 22 2.044 1.596 -0.983 1.00 0.39 N ATOM 310 CA CYS A 22 1.286 0.559 -0.248 1.00 0.38 C ATOM 311 C CYS A 22 0.261 -0.099 -1.164 1.00 0.36 C ATOM 312 O CYS A 22 -0.111 0.440 -2.180 1.00 0.39 O ATOM 313 CB CYS A 22 0.586 1.216 0.932 1.00 0.46 C ATOM 314 SG CYS A 22 -0.239 2.750 0.382 1.00 0.78 S ATOM 0 H CYS A 22 1.508 2.125 -1.671 1.00 0.39 H new ATOM 0 HA CYS A 22 1.969 -0.213 0.107 1.00 0.38 H new ATOM 0 HB2 CYS A 22 -0.146 0.531 1.360 1.00 0.46 H new ATOM 0 HB3 CYS A 22 1.309 1.441 1.716 1.00 0.46 H new ATOM 319 N VAL A 23 -0.229 -1.238 -0.772 1.00 0.34 N ATOM 320 CA VAL A 23 -1.281 -1.930 -1.565 1.00 0.35 C ATOM 321 C VAL A 23 -2.529 -1.937 -0.688 1.00 0.37 C ATOM 322 O VAL A 23 -2.439 -2.164 0.498 1.00 0.39 O ATOM 323 CB VAL A 23 -0.841 -3.365 -1.855 1.00 0.39 C ATOM 324 CG1 VAL A 23 -1.835 -4.045 -2.806 1.00 0.43 C ATOM 325 CG2 VAL A 23 0.558 -3.343 -2.469 1.00 0.41 C ATOM 0 H VAL A 23 0.058 -1.727 0.076 1.00 0.34 H new ATOM 0 HA VAL A 23 -1.464 -1.434 -2.518 1.00 0.35 H new ATOM 0 HB VAL A 23 -0.819 -3.935 -0.926 1.00 0.39 H new ATOM 0 HG11 VAL A 23 -1.509 -5.066 -3.004 1.00 0.43 H new ATOM 0 HG12 VAL A 23 -2.824 -4.062 -2.347 1.00 0.43 H new ATOM 0 HG13 VAL A 23 -1.879 -3.490 -3.743 1.00 0.43 H new ATOM 0 HG21 VAL A 23 0.879 -4.363 -2.679 1.00 0.41 H new ATOM 0 HG22 VAL A 23 0.539 -2.770 -3.396 1.00 0.41 H new ATOM 0 HG23 VAL A 23 1.255 -2.880 -1.770 1.00 0.41 H new ATOM 335 N ILE A 24 -3.675 -1.622 -1.225 1.00 0.37 N ATOM 336 CA ILE A 24 -4.880 -1.541 -0.347 1.00 0.41 C ATOM 337 C ILE A 24 -5.593 -2.899 -0.305 1.00 0.41 C ATOM 338 O ILE A 24 -5.872 -3.503 -1.315 1.00 0.41 O ATOM 339 CB ILE A 24 -5.830 -0.466 -0.896 1.00 0.44 C ATOM 340 CG1 ILE A 24 -5.082 0.862 -1.010 1.00 0.45 C ATOM 341 CG2 ILE A 24 -7.003 -0.261 0.070 1.00 0.48 C ATOM 342 CD1 ILE A 24 -5.982 1.899 -1.685 1.00 0.51 C ATOM 0 H ILE A 24 -3.831 -1.421 -2.213 1.00 0.37 H new ATOM 0 HA ILE A 24 -4.575 -1.277 0.666 1.00 0.41 H new ATOM 0 HB ILE A 24 -6.196 -0.789 -1.871 1.00 0.44 H new ATOM 0 HG12 ILE A 24 -4.786 1.211 -0.021 1.00 0.45 H new ATOM 0 HG13 ILE A 24 -4.167 0.728 -1.588 1.00 0.45 H new ATOM 0 HG21 ILE A 24 -7.672 0.503 -0.327 1.00 0.48 H new ATOM 0 HG22 ILE A 24 -7.549 -1.198 0.184 1.00 0.48 H new ATOM 0 HG23 ILE A 24 -6.623 0.058 1.041 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -5.448 2.846 -1.766 1.00 0.51 H new ATOM 0 HD12 ILE A 24 -6.256 1.550 -2.681 1.00 0.51 H new ATOM 0 HD13 ILE A 24 -6.884 2.041 -1.090 1.00 0.51 H new ATOM 354 N VAL A 25 -5.971 -3.318 0.886 1.00 0.44 N ATOM 355 CA VAL A 25 -6.759 -4.589 0.970 1.00 0.45 C ATOM 356 C VAL A 25 -7.632 -4.747 2.235 1.00 0.65 C ATOM 357 O VAL A 25 -7.360 -5.593 3.055 1.00 1.30 O ATOM 358 CB VAL A 25 -5.782 -5.776 0.931 1.00 0.65 C ATOM 359 CG1 VAL A 25 -5.175 -5.937 -0.472 1.00 1.10 C ATOM 360 CG2 VAL A 25 -4.644 -5.563 1.941 1.00 0.68 C ATOM 0 H VAL A 25 -5.775 -2.852 1.772 1.00 0.44 H new ATOM 0 HA VAL A 25 -7.444 -4.560 0.123 1.00 0.45 H new ATOM 0 HB VAL A 25 -6.341 -6.676 1.188 1.00 0.65 H new ATOM 0 HG11 VAL A 25 -4.487 -6.783 -0.476 1.00 1.10 H new ATOM 0 HG12 VAL A 25 -5.971 -6.114 -1.195 1.00 1.10 H new ATOM 0 HG13 VAL A 25 -4.635 -5.029 -0.741 1.00 1.10 H new ATOM 0 HG21 VAL A 25 -3.960 -6.411 1.903 1.00 0.68 H new ATOM 0 HG22 VAL A 25 -4.104 -4.649 1.693 1.00 0.68 H new ATOM 0 HG23 VAL A 25 -5.060 -5.477 2.945 1.00 0.68 H new ATOM 370 N ASP A 26 -8.756 -4.071 2.305 1.00 0.41 N ATOM 371 CA ASP A 26 -9.760 -4.304 3.411 1.00 0.53 C ATOM 372 C ASP A 26 -10.835 -3.247 3.338 1.00 0.43 C ATOM 373 O ASP A 26 -10.531 -2.092 3.072 1.00 0.45 O ATOM 374 CB ASP A 26 -9.189 -4.260 4.811 1.00 0.76 C ATOM 375 CG ASP A 26 -10.263 -4.677 5.820 1.00 0.99 C ATOM 376 OD1 ASP A 26 -11.290 -5.177 5.395 1.00 1.56 O ATOM 377 OD2 ASP A 26 -10.029 -4.509 7.005 1.00 1.48 O ATOM 0 H ASP A 26 -9.030 -3.354 1.633 1.00 0.41 H new ATOM 0 HA ASP A 26 -10.136 -5.313 3.245 1.00 0.53 H new ATOM 0 HB2 ASP A 26 -8.329 -4.926 4.884 1.00 0.76 H new ATOM 0 HB3 ASP A 26 -8.834 -3.255 5.038 1.00 0.76 H new ATOM 382 N ILE A 27 -12.021 -3.583 3.771 1.00 0.57 N ATOM 383 CA ILE A 27 -13.102 -2.567 3.914 1.00 0.65 C ATOM 384 C ILE A 27 -13.471 -2.569 5.399 1.00 0.63 C ATOM 385 O ILE A 27 -13.693 -3.623 5.962 1.00 0.79 O ATOM 386 CB ILE A 27 -14.347 -2.966 3.106 1.00 0.94 C ATOM 387 CG1 ILE A 27 -13.991 -3.232 1.641 1.00 1.59 C ATOM 388 CG2 ILE A 27 -15.374 -1.833 3.171 1.00 1.36 C ATOM 389 CD1 ILE A 27 -13.159 -2.081 1.083 1.00 1.80 C ATOM 0 H ILE A 27 -12.289 -4.531 4.035 1.00 0.57 H new ATOM 0 HA ILE A 27 -12.766 -1.595 3.554 1.00 0.65 H new ATOM 0 HB ILE A 27 -14.758 -3.879 3.536 1.00 0.94 H new ATOM 0 HG12 ILE A 27 -13.435 -4.166 1.558 1.00 1.59 H new ATOM 0 HG13 ILE A 27 -14.902 -3.350 1.054 1.00 1.59 H new ATOM 0 HG21 ILE A 27 -16.259 -2.111 2.599 1.00 1.36 H new ATOM 0 HG22 ILE A 27 -15.654 -1.655 4.209 1.00 1.36 H new ATOM 0 HG23 ILE A 27 -14.941 -0.925 2.751 1.00 1.36 H new ATOM 0 HD11 ILE A 27 -12.912 -2.282 0.041 1.00 1.80 H new ATOM 0 HD12 ILE A 27 -13.729 -1.155 1.149 1.00 1.80 H new ATOM 0 HD13 ILE A 27 -12.240 -1.983 1.661 1.00 1.80 H new ATOM 401 N ILE A 28 -13.523 -1.438 6.051 1.00 0.57 N ATOM 402 CA ILE A 28 -13.857 -1.425 7.503 1.00 0.58 C ATOM 403 C ILE A 28 -15.098 -0.567 7.734 1.00 0.66 C ATOM 404 O ILE A 28 -16.162 -0.839 7.213 1.00 0.71 O ATOM 405 CB ILE A 28 -12.650 -0.854 8.250 1.00 0.57 C ATOM 406 CG1 ILE A 28 -11.449 -1.772 8.016 1.00 0.68 C ATOM 407 CG2 ILE A 28 -12.928 -0.742 9.752 1.00 0.61 C ATOM 408 CD1 ILE A 28 -10.201 -1.148 8.639 1.00 0.77 C ATOM 0 H ILE A 28 -13.348 -0.522 5.639 1.00 0.57 H new ATOM 0 HA ILE A 28 -14.074 -2.430 7.866 1.00 0.58 H new ATOM 0 HB ILE A 28 -12.444 0.147 7.872 1.00 0.57 H new ATOM 0 HG12 ILE A 28 -11.636 -2.752 8.455 1.00 0.68 H new ATOM 0 HG13 ILE A 28 -11.297 -1.925 6.947 1.00 0.68 H new ATOM 0 HG21 ILE A 28 -12.052 -0.333 10.255 1.00 0.61 H new ATOM 0 HG22 ILE A 28 -13.781 -0.083 9.916 1.00 0.61 H new ATOM 0 HG23 ILE A 28 -13.150 -1.730 10.156 1.00 0.61 H new ATOM 0 HD11 ILE A 28 -9.345 -1.802 8.472 1.00 0.77 H new ATOM 0 HD12 ILE A 28 -10.011 -0.178 8.180 1.00 0.77 H new ATOM 0 HD13 ILE A 28 -10.355 -1.018 9.710 1.00 0.77 H new ATOM 420 N ASP A 29 -14.961 0.488 8.478 1.00 1.01 N ATOM 421 CA ASP A 29 -16.121 1.390 8.703 1.00 1.18 C ATOM 422 C ASP A 29 -16.584 1.869 7.340 1.00 1.33 C ATOM 423 O ASP A 29 -17.752 2.089 7.112 1.00 2.10 O ATOM 424 CB ASP A 29 -15.709 2.601 9.538 1.00 1.03 C ATOM 425 CG ASP A 29 -16.958 3.371 9.973 1.00 1.72 C ATOM 426 OD1 ASP A 29 -18.048 2.892 9.708 1.00 2.26 O ATOM 427 OD2 ASP A 29 -16.804 4.428 10.561 1.00 2.40 O ATOM 0 H ASP A 29 -14.096 0.767 8.941 1.00 1.01 H new ATOM 0 HA ASP A 29 -16.910 0.859 9.236 1.00 1.18 H new ATOM 0 HB2 ASP A 29 -15.145 2.278 10.413 1.00 1.03 H new ATOM 0 HB3 ASP A 29 -15.053 3.250 8.958 1.00 1.03 H new ATOM 432 N ASP A 30 -15.612 2.054 6.472 1.00 1.29 N ATOM 433 CA ASP A 30 -15.783 2.557 5.073 1.00 1.39 C ATOM 434 C ASP A 30 -14.928 3.815 4.968 1.00 1.13 C ATOM 435 O ASP A 30 -14.431 4.160 3.914 1.00 1.20 O ATOM 436 CB ASP A 30 -17.234 2.887 4.701 1.00 1.64 C ATOM 437 CG ASP A 30 -18.062 1.599 4.646 1.00 1.90 C ATOM 438 OD1 ASP A 30 -17.466 0.534 4.672 1.00 2.55 O ATOM 439 OD2 ASP A 30 -19.275 1.700 4.580 1.00 2.09 O ATOM 0 H ASP A 30 -14.638 1.860 6.702 1.00 1.29 H new ATOM 0 HA ASP A 30 -15.481 1.773 4.379 1.00 1.39 H new ATOM 0 HB2 ASP A 30 -17.660 3.573 5.433 1.00 1.64 H new ATOM 0 HB3 ASP A 30 -17.266 3.392 3.736 1.00 1.64 H new ATOM 444 N ASN A 31 -14.700 4.470 6.081 1.00 0.91 N ATOM 445 CA ASN A 31 -13.826 5.659 6.083 1.00 0.77 C ATOM 446 C ASN A 31 -12.416 5.192 6.462 1.00 0.58 C ATOM 447 O ASN A 31 -11.482 5.970 6.539 1.00 0.53 O ATOM 448 CB ASN A 31 -14.324 6.660 7.128 1.00 0.86 C ATOM 449 CG ASN A 31 -15.738 7.120 6.769 1.00 1.29 C ATOM 450 OD1 ASN A 31 -16.168 6.981 5.641 1.00 2.10 O ATOM 451 ND2 ASN A 31 -16.487 7.659 7.693 1.00 1.60 N ATOM 0 H ASN A 31 -15.090 4.221 6.990 1.00 0.91 H new ATOM 0 HA ASN A 31 -13.828 6.140 5.105 1.00 0.77 H new ATOM 0 HB2 ASN A 31 -14.321 6.200 8.116 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -13.653 7.518 7.173 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -17.434 7.964 7.468 1.00 1.60 H new ATOM 0 HD22 ASN A 31 -16.125 7.775 8.639 1.00 1.60 H new ATOM 458 N PHE A 32 -12.267 3.896 6.598 1.00 0.56 N ATOM 459 CA PHE A 32 -10.926 3.294 6.865 1.00 0.45 C ATOM 460 C PHE A 32 -10.675 2.130 5.889 1.00 0.45 C ATOM 461 O PHE A 32 -11.589 1.409 5.537 1.00 0.52 O ATOM 462 CB PHE A 32 -10.833 2.801 8.318 1.00 0.48 C ATOM 463 CG PHE A 32 -10.955 3.958 9.294 1.00 0.54 C ATOM 464 CD1 PHE A 32 -9.863 4.809 9.551 1.00 1.52 C ATOM 465 CD2 PHE A 32 -12.170 4.176 9.952 1.00 1.09 C ATOM 466 CE1 PHE A 32 -10.001 5.862 10.467 1.00 1.60 C ATOM 467 CE2 PHE A 32 -12.302 5.227 10.864 1.00 1.13 C ATOM 468 CZ PHE A 32 -11.217 6.067 11.125 1.00 0.80 C ATOM 0 H PHE A 32 -13.030 3.222 6.534 1.00 0.56 H new ATOM 0 HA PHE A 32 -10.162 4.057 6.715 1.00 0.45 H new ATOM 0 HB2 PHE A 32 -11.622 2.074 8.510 1.00 0.48 H new ATOM 0 HB3 PHE A 32 -9.883 2.289 8.472 1.00 0.48 H new ATOM 0 HD1 PHE A 32 -8.922 4.651 9.044 1.00 1.52 H new ATOM 0 HD2 PHE A 32 -13.011 3.528 9.754 1.00 1.09 H new ATOM 0 HE1 PHE A 32 -9.165 6.517 10.665 1.00 1.60 H new ATOM 0 HE2 PHE A 32 -13.244 5.390 11.367 1.00 1.13 H new ATOM 0 HZ PHE A 32 -11.318 6.875 11.835 1.00 0.80 H new ATOM 478 N VAL A 33 -9.445 1.893 5.516 1.00 0.40 N ATOM 479 CA VAL A 33 -9.121 0.713 4.639 1.00 0.42 C ATOM 480 C VAL A 33 -7.888 0.006 5.225 1.00 0.39 C ATOM 481 O VAL A 33 -7.136 0.631 5.945 1.00 0.36 O ATOM 482 CB VAL A 33 -8.872 1.149 3.196 1.00 0.44 C ATOM 483 CG1 VAL A 33 -10.086 1.927 2.684 1.00 0.49 C ATOM 484 CG2 VAL A 33 -7.627 2.033 3.124 1.00 0.42 C ATOM 0 H VAL A 33 -8.642 2.465 5.779 1.00 0.40 H new ATOM 0 HA VAL A 33 -9.967 0.026 4.617 1.00 0.42 H new ATOM 0 HB VAL A 33 -8.716 0.266 2.576 1.00 0.44 H new ATOM 0 HG11 VAL A 33 -9.910 2.239 1.654 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -10.970 1.290 2.724 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.244 2.807 3.308 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -7.457 2.339 2.092 1.00 0.42 H new ATOM 0 HG22 VAL A 33 -7.772 2.917 3.745 1.00 0.42 H new ATOM 0 HG23 VAL A 33 -6.763 1.474 3.484 1.00 0.42 H new ATOM 494 N LEU A 34 -7.611 -1.246 4.888 1.00 0.43 N ATOM 495 CA LEU A 34 -6.323 -1.864 5.433 1.00 0.44 C ATOM 496 C LEU A 34 -5.309 -1.908 4.295 1.00 0.43 C ATOM 497 O LEU A 34 -5.641 -2.356 3.218 1.00 0.47 O ATOM 498 CB LEU A 34 -6.510 -3.310 5.913 1.00 0.55 C ATOM 499 CG LEU A 34 -5.287 -3.786 6.720 1.00 0.62 C ATOM 500 CD1 LEU A 34 -5.737 -4.903 7.660 1.00 0.93 C ATOM 501 CD2 LEU A 34 -4.172 -4.325 5.801 1.00 0.73 C ATOM 0 H LEU A 34 -8.182 -1.846 4.292 1.00 0.43 H new ATOM 0 HA LEU A 34 -6.002 -1.257 6.280 1.00 0.44 H new ATOM 0 HB2 LEU A 34 -7.406 -3.379 6.529 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -6.662 -3.965 5.055 1.00 0.55 H new ATOM 0 HG LEU A 34 -4.885 -2.938 7.274 1.00 0.62 H new ATOM 0 HD11 LEU A 34 -4.885 -5.255 8.241 1.00 0.93 H new ATOM 0 HD12 LEU A 34 -6.505 -4.524 8.334 1.00 0.93 H new ATOM 0 HD13 LEU A 34 -6.143 -5.729 7.076 1.00 0.93 H new ATOM 0 HD21 LEU A 34 -3.327 -4.651 6.407 1.00 0.73 H new ATOM 0 HD22 LEU A 34 -4.552 -5.169 5.224 1.00 0.73 H new ATOM 0 HD23 LEU A 34 -3.848 -3.537 5.121 1.00 0.73 H new ATOM 513 N VAL A 35 -4.096 -1.430 4.483 1.00 0.42 N ATOM 514 CA VAL A 35 -3.129 -1.447 3.341 1.00 0.43 C ATOM 515 C VAL A 35 -1.829 -2.159 3.741 1.00 0.44 C ATOM 516 O VAL A 35 -1.472 -2.220 4.900 1.00 0.46 O ATOM 517 CB VAL A 35 -2.803 -0.002 2.972 1.00 0.47 C ATOM 518 CG1 VAL A 35 -4.097 0.792 2.785 1.00 0.46 C ATOM 519 CG2 VAL A 35 -1.971 0.629 4.085 1.00 0.52 C ATOM 0 H VAL A 35 -3.744 -1.039 5.357 1.00 0.42 H new ATOM 0 HA VAL A 35 -3.574 -1.978 2.500 1.00 0.43 H new ATOM 0 HB VAL A 35 -2.238 0.013 2.040 1.00 0.47 H new ATOM 0 HG11 VAL A 35 -3.857 1.822 2.522 1.00 0.46 H new ATOM 0 HG12 VAL A 35 -4.688 0.342 1.987 1.00 0.46 H new ATOM 0 HG13 VAL A 35 -4.669 0.778 3.712 1.00 0.46 H new ATOM 0 HG21 VAL A 35 -1.737 1.661 3.824 1.00 0.52 H new ATOM 0 HG22 VAL A 35 -2.536 0.610 5.017 1.00 0.52 H new ATOM 0 HG23 VAL A 35 -1.045 0.067 4.210 1.00 0.52 H new ATOM 529 N THR A 36 -1.124 -2.710 2.772 1.00 0.45 N ATOM 530 CA THR A 36 0.150 -3.434 3.075 1.00 0.48 C ATOM 531 C THR A 36 1.240 -3.162 2.014 1.00 0.48 C ATOM 532 O THR A 36 0.955 -2.856 0.873 1.00 0.48 O ATOM 533 CB THR A 36 -0.165 -4.944 3.162 1.00 0.56 C ATOM 534 OG1 THR A 36 0.936 -5.637 3.723 1.00 0.63 O ATOM 535 CG2 THR A 36 -0.505 -5.533 1.780 1.00 0.60 C ATOM 0 H THR A 36 -1.381 -2.686 1.785 1.00 0.45 H new ATOM 0 HA THR A 36 0.548 -3.073 4.023 1.00 0.48 H new ATOM 0 HB THR A 36 -1.038 -5.066 3.803 1.00 0.56 H new ATOM 0 HG1 THR A 36 1.224 -5.184 4.543 1.00 0.63 H new ATOM 0 HG21 THR A 36 -0.721 -6.597 1.881 1.00 0.60 H new ATOM 0 HG22 THR A 36 -1.377 -5.023 1.372 1.00 0.60 H new ATOM 0 HG23 THR A 36 0.342 -5.397 1.108 1.00 0.60 H new ATOM 543 N GLY A 37 2.486 -3.335 2.383 1.00 0.52 N ATOM 544 CA GLY A 37 3.617 -3.167 1.402 1.00 0.55 C ATOM 545 C GLY A 37 4.797 -3.996 1.913 1.00 0.70 C ATOM 546 O GLY A 37 4.812 -4.379 3.066 1.00 0.84 O ATOM 0 H GLY A 37 2.775 -3.587 3.328 1.00 0.52 H new ATOM 0 HA2 GLY A 37 3.316 -3.501 0.409 1.00 0.55 H new ATOM 0 HA3 GLY A 37 3.896 -2.117 1.315 1.00 0.55 H new ATOM 550 N PRO A 38 5.783 -4.286 1.099 1.00 0.74 N ATOM 551 CA PRO A 38 6.932 -5.086 1.577 1.00 0.93 C ATOM 552 C PRO A 38 7.623 -4.395 2.743 1.00 0.99 C ATOM 553 O PRO A 38 8.078 -3.273 2.643 1.00 0.94 O ATOM 554 CB PRO A 38 7.879 -5.190 0.384 1.00 0.94 C ATOM 555 CG PRO A 38 7.326 -4.312 -0.685 1.00 0.82 C ATOM 556 CD PRO A 38 5.908 -3.895 -0.299 1.00 0.69 C ATOM 0 HA PRO A 38 6.617 -6.066 1.935 1.00 0.93 H new ATOM 0 HB2 PRO A 38 8.885 -4.875 0.661 1.00 0.94 H new ATOM 0 HB3 PRO A 38 7.952 -6.221 0.038 1.00 0.94 H new ATOM 0 HG2 PRO A 38 7.956 -3.432 -0.813 1.00 0.82 H new ATOM 0 HG3 PRO A 38 7.317 -4.839 -1.639 1.00 0.82 H new ATOM 0 HD2 PRO A 38 5.761 -2.823 -0.426 1.00 0.69 H new ATOM 0 HD3 PRO A 38 5.164 -4.395 -0.919 1.00 0.69 H new ATOM 564 N LYS A 39 7.713 -5.070 3.838 1.00 1.20 N ATOM 565 CA LYS A 39 8.382 -4.493 5.027 1.00 1.37 C ATOM 566 C LYS A 39 9.840 -4.136 4.738 1.00 1.39 C ATOM 567 O LYS A 39 10.349 -3.141 5.215 1.00 1.45 O ATOM 568 CB LYS A 39 8.346 -5.558 6.126 1.00 1.66 C ATOM 569 CG LYS A 39 8.918 -5.022 7.438 1.00 2.17 C ATOM 570 CD LYS A 39 8.932 -6.163 8.456 1.00 2.45 C ATOM 571 CE LYS A 39 9.370 -5.643 9.824 1.00 3.15 C ATOM 572 NZ LYS A 39 9.824 -6.790 10.661 1.00 3.44 N ATOM 0 H LYS A 39 7.347 -6.013 3.967 1.00 1.20 H new ATOM 0 HA LYS A 39 7.868 -3.578 5.321 1.00 1.37 H new ATOM 0 HB2 LYS A 39 7.319 -5.888 6.282 1.00 1.66 H new ATOM 0 HB3 LYS A 39 8.916 -6.431 5.808 1.00 1.66 H new ATOM 0 HG2 LYS A 39 9.926 -4.638 7.284 1.00 2.17 H new ATOM 0 HG3 LYS A 39 8.314 -4.193 7.805 1.00 2.17 H new ATOM 0 HD2 LYS A 39 7.940 -6.608 8.528 1.00 2.45 H new ATOM 0 HD3 LYS A 39 9.610 -6.949 8.123 1.00 2.45 H new ATOM 0 HE2 LYS A 39 10.176 -4.919 9.710 1.00 3.15 H new ATOM 0 HE3 LYS A 39 8.544 -5.126 10.312 1.00 3.15 H new ATOM 0 HZ1 LYS A 39 10.124 -6.442 11.594 1.00 3.44 H new ATOM 0 HZ2 LYS A 39 9.042 -7.465 10.778 1.00 3.44 H new ATOM 0 HZ3 LYS A 39 10.624 -7.264 10.195 1.00 3.44 H new ATOM 586 N ASP A 40 10.536 -4.969 4.011 1.00 1.42 N ATOM 587 CA ASP A 40 11.976 -4.693 3.766 1.00 1.48 C ATOM 588 C ASP A 40 12.241 -3.420 2.960 1.00 1.35 C ATOM 589 O ASP A 40 13.180 -2.704 3.249 1.00 1.42 O ATOM 590 CB ASP A 40 12.583 -5.879 3.013 1.00 1.59 C ATOM 591 CG ASP A 40 12.585 -7.112 3.917 1.00 1.79 C ATOM 592 OD1 ASP A 40 12.355 -6.955 5.104 1.00 2.01 O ATOM 593 OD2 ASP A 40 12.822 -8.195 3.406 1.00 2.27 O ATOM 0 H ASP A 40 10.172 -5.819 3.581 1.00 1.42 H new ATOM 0 HA ASP A 40 12.433 -4.546 4.745 1.00 1.48 H new ATOM 0 HB2 ASP A 40 12.010 -6.080 2.108 1.00 1.59 H new ATOM 0 HB3 ASP A 40 13.600 -5.643 2.701 1.00 1.59 H new ATOM 598 N ILE A 41 11.500 -3.150 1.910 1.00 1.20 N ATOM 599 CA ILE A 41 11.812 -1.959 1.063 1.00 1.13 C ATOM 600 C ILE A 41 10.991 -0.726 1.403 1.00 1.03 C ATOM 601 O ILE A 41 11.506 0.296 1.810 1.00 1.27 O ATOM 602 CB ILE A 41 11.551 -2.326 -0.398 1.00 1.10 C ATOM 603 CG1 ILE A 41 12.284 -3.625 -0.769 1.00 1.29 C ATOM 604 CG2 ILE A 41 12.025 -1.196 -1.313 1.00 1.11 C ATOM 605 CD1 ILE A 41 13.723 -3.617 -0.255 1.00 2.05 C ATOM 0 H ILE A 41 10.697 -3.701 1.606 1.00 1.20 H new ATOM 0 HA ILE A 41 12.855 -1.703 1.250 1.00 1.13 H new ATOM 0 HB ILE A 41 10.479 -2.476 -0.528 1.00 1.10 H new ATOM 0 HG12 ILE A 41 11.751 -4.478 -0.350 1.00 1.29 H new ATOM 0 HG13 ILE A 41 12.283 -3.749 -1.852 1.00 1.29 H new ATOM 0 HG21 ILE A 41 11.835 -1.465 -2.352 1.00 1.11 H new ATOM 0 HG22 ILE A 41 11.484 -0.281 -1.071 1.00 1.11 H new ATOM 0 HG23 ILE A 41 13.093 -1.035 -1.169 1.00 1.11 H new ATOM 0 HD11 ILE A 41 14.214 -4.549 -0.534 1.00 2.05 H new ATOM 0 HD12 ILE A 41 14.262 -2.778 -0.695 1.00 2.05 H new ATOM 0 HD13 ILE A 41 13.721 -3.518 0.831 1.00 2.05 H new ATOM 617 N THR A 42 9.734 -0.777 1.075 1.00 0.78 N ATOM 618 CA THR A 42 8.875 0.420 1.185 1.00 0.75 C ATOM 619 C THR A 42 8.894 0.977 2.602 1.00 0.90 C ATOM 620 O THR A 42 8.850 2.178 2.782 1.00 1.07 O ATOM 621 CB THR A 42 7.459 0.015 0.781 1.00 0.56 C ATOM 622 OG1 THR A 42 7.503 -0.612 -0.495 1.00 1.03 O ATOM 623 CG2 THR A 42 6.570 1.248 0.683 1.00 1.10 C ATOM 0 H THR A 42 9.262 -1.613 0.730 1.00 0.78 H new ATOM 0 HA THR A 42 9.245 1.208 0.528 1.00 0.75 H new ATOM 0 HB THR A 42 7.056 -0.667 1.530 1.00 0.56 H new ATOM 0 HG1 THR A 42 6.591 -0.732 -0.832 1.00 1.03 H new ATOM 0 HG21 THR A 42 5.563 0.948 0.394 1.00 1.10 H new ATOM 0 HG22 THR A 42 6.536 1.750 1.650 1.00 1.10 H new ATOM 0 HG23 THR A 42 6.974 1.929 -0.066 1.00 1.10 H new ATOM 631 N GLY A 43 8.938 0.154 3.611 1.00 0.93 N ATOM 632 CA GLY A 43 8.936 0.699 4.997 1.00 1.12 C ATOM 633 C GLY A 43 7.548 0.565 5.608 1.00 0.97 C ATOM 634 O GLY A 43 7.297 1.049 6.693 1.00 1.10 O ATOM 0 H GLY A 43 8.975 -0.863 3.539 1.00 0.93 H new ATOM 0 HA2 GLY A 43 9.664 0.165 5.608 1.00 1.12 H new ATOM 0 HA3 GLY A 43 9.237 1.746 4.985 1.00 1.12 H new ATOM 638 N VAL A 44 6.655 -0.111 4.931 1.00 0.78 N ATOM 639 CA VAL A 44 5.305 -0.314 5.464 1.00 0.70 C ATOM 640 C VAL A 44 5.114 -1.823 5.526 1.00 0.72 C ATOM 641 O VAL A 44 5.835 -2.571 4.899 1.00 0.80 O ATOM 642 CB VAL A 44 4.271 0.315 4.539 1.00 0.61 C ATOM 643 CG1 VAL A 44 4.589 1.794 4.319 1.00 0.79 C ATOM 644 CG2 VAL A 44 4.265 -0.422 3.216 1.00 1.06 C ATOM 0 H VAL A 44 6.822 -0.532 4.017 1.00 0.78 H new ATOM 0 HA VAL A 44 5.182 0.149 6.443 1.00 0.70 H new ATOM 0 HB VAL A 44 3.285 0.239 4.997 1.00 0.61 H new ATOM 0 HG11 VAL A 44 3.843 2.232 3.656 1.00 0.79 H new ATOM 0 HG12 VAL A 44 4.575 2.315 5.276 1.00 0.79 H new ATOM 0 HG13 VAL A 44 5.576 1.891 3.868 1.00 0.79 H new ATOM 0 HG21 VAL A 44 3.526 0.027 2.553 1.00 1.06 H new ATOM 0 HG22 VAL A 44 5.252 -0.355 2.758 1.00 1.06 H new ATOM 0 HG23 VAL A 44 4.013 -1.469 3.384 1.00 1.06 H new ATOM 654 N LYS A 45 4.159 -2.271 6.268 1.00 0.80 N ATOM 655 CA LYS A 45 3.922 -3.734 6.380 1.00 0.91 C ATOM 656 C LYS A 45 2.435 -3.967 6.359 1.00 0.78 C ATOM 657 O LYS A 45 1.878 -4.411 5.382 1.00 0.83 O ATOM 658 CB LYS A 45 4.491 -4.246 7.705 1.00 1.14 C ATOM 659 CG LYS A 45 4.374 -5.771 7.759 1.00 1.87 C ATOM 660 CD LYS A 45 4.874 -6.273 9.115 1.00 2.04 C ATOM 661 CE LYS A 45 4.906 -7.804 9.118 1.00 2.84 C ATOM 662 NZ LYS A 45 5.670 -8.290 7.934 1.00 3.49 N ATOM 0 H LYS A 45 3.522 -1.687 6.810 1.00 0.80 H new ATOM 0 HA LYS A 45 4.406 -4.259 5.556 1.00 0.91 H new ATOM 0 HB2 LYS A 45 5.535 -3.948 7.804 1.00 1.14 H new ATOM 0 HB3 LYS A 45 3.952 -3.800 8.541 1.00 1.14 H new ATOM 0 HG2 LYS A 45 3.338 -6.073 7.607 1.00 1.87 H new ATOM 0 HG3 LYS A 45 4.958 -6.220 6.955 1.00 1.87 H new ATOM 0 HD2 LYS A 45 5.870 -5.878 9.315 1.00 2.04 H new ATOM 0 HD3 LYS A 45 4.222 -5.912 9.910 1.00 2.04 H new ATOM 0 HE2 LYS A 45 5.369 -8.166 10.036 1.00 2.84 H new ATOM 0 HE3 LYS A 45 3.890 -8.199 9.095 1.00 2.84 H new ATOM 0 HZ1 LYS A 45 6.194 -9.152 8.189 1.00 3.49 H new ATOM 0 HZ2 LYS A 45 5.010 -8.502 7.158 1.00 3.49 H new ATOM 0 HZ3 LYS A 45 6.340 -7.556 7.628 1.00 3.49 H new ATOM 676 N ARG A 46 1.788 -3.572 7.408 1.00 0.67 N ATOM 677 CA ARG A 46 0.330 -3.662 7.452 1.00 0.59 C ATOM 678 C ARG A 46 -0.179 -2.477 8.263 1.00 0.54 C ATOM 679 O ARG A 46 0.216 -2.281 9.394 1.00 0.59 O ATOM 680 CB ARG A 46 -0.048 -4.957 8.141 1.00 0.62 C ATOM 681 CG ARG A 46 -1.544 -5.145 8.037 1.00 0.62 C ATOM 682 CD ARG A 46 -1.917 -6.451 8.711 1.00 0.73 C ATOM 683 NE ARG A 46 -1.709 -6.336 10.183 1.00 1.39 N ATOM 684 CZ ARG A 46 -2.347 -7.133 10.998 1.00 1.89 C ATOM 685 NH1 ARG A 46 -3.178 -8.023 10.526 1.00 2.10 N ATOM 686 NH2 ARG A 46 -2.157 -7.040 12.286 1.00 2.78 N ATOM 0 H ARG A 46 2.222 -3.186 8.246 1.00 0.67 H new ATOM 0 HA ARG A 46 -0.103 -3.646 6.452 1.00 0.59 H new ATOM 0 HB2 ARG A 46 0.471 -5.796 7.678 1.00 0.62 H new ATOM 0 HB3 ARG A 46 0.257 -4.931 9.187 1.00 0.62 H new ATOM 0 HG2 ARG A 46 -2.063 -4.313 8.512 1.00 0.62 H new ATOM 0 HG3 ARG A 46 -1.852 -5.158 6.991 1.00 0.62 H new ATOM 0 HD2 ARG A 46 -2.958 -6.696 8.499 1.00 0.73 H new ATOM 0 HD3 ARG A 46 -1.311 -7.264 8.311 1.00 0.73 H new ATOM 0 HE ARG A 46 -1.068 -5.635 10.554 1.00 1.39 H new ATOM 0 HH11 ARG A 46 -3.329 -8.096 9.520 1.00 2.10 H new ATOM 0 HH12 ARG A 46 -3.676 -8.645 11.163 1.00 2.10 H new ATOM 0 HH21 ARG A 46 -1.510 -6.344 12.657 1.00 2.78 H new ATOM 0 HH22 ARG A 46 -2.656 -7.663 12.921 1.00 2.78 H new ATOM 700 N ARG A 47 -1.047 -1.690 7.718 1.00 0.50 N ATOM 701 CA ARG A 47 -1.563 -0.535 8.487 1.00 0.51 C ATOM 702 C ARG A 47 -2.931 -0.143 7.958 1.00 0.43 C ATOM 703 O ARG A 47 -3.349 -0.587 6.907 1.00 0.40 O ATOM 704 CB ARG A 47 -0.603 0.655 8.402 1.00 0.65 C ATOM 705 CG ARG A 47 -0.498 1.146 6.959 1.00 0.69 C ATOM 706 CD ARG A 47 0.604 2.204 6.873 1.00 0.88 C ATOM 707 NE ARG A 47 1.925 1.563 7.118 1.00 1.51 N ATOM 708 CZ ARG A 47 2.910 2.267 7.611 1.00 2.07 C ATOM 709 NH1 ARG A 47 2.760 3.546 7.823 1.00 2.26 N ATOM 710 NH2 ARG A 47 4.046 1.690 7.887 1.00 3.10 N ATOM 0 H ARG A 47 -1.423 -1.793 6.775 1.00 0.50 H new ATOM 0 HA ARG A 47 -1.647 -0.824 9.534 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -0.955 1.462 9.044 1.00 0.65 H new ATOM 0 HB3 ARG A 47 0.382 0.364 8.767 1.00 0.65 H new ATOM 0 HG2 ARG A 47 -0.273 0.313 6.293 1.00 0.69 H new ATOM 0 HG3 ARG A 47 -1.450 1.566 6.634 1.00 0.69 H new ATOM 0 HD2 ARG A 47 0.593 2.677 5.891 1.00 0.88 H new ATOM 0 HD3 ARG A 47 0.427 2.990 7.607 1.00 0.88 H new ATOM 0 HE ARG A 47 2.061 0.576 6.901 1.00 1.51 H new ATOM 0 HH11 ARG A 47 1.873 3.999 7.604 1.00 2.26 H new ATOM 0 HH12 ARG A 47 3.530 4.093 8.208 1.00 2.26 H new ATOM 0 HH21 ARG A 47 4.165 0.691 7.718 1.00 3.10 H new ATOM 0 HH22 ARG A 47 4.816 2.237 8.272 1.00 3.10 H new ATOM 724 N ARG A 48 -3.623 0.694 8.673 1.00 0.46 N ATOM 725 CA ARG A 48 -4.962 1.141 8.219 1.00 0.40 C ATOM 726 C ARG A 48 -4.890 2.642 7.976 1.00 0.40 C ATOM 727 O ARG A 48 -4.209 3.353 8.689 1.00 0.49 O ATOM 728 CB ARG A 48 -5.978 0.830 9.318 1.00 0.44 C ATOM 729 CG ARG A 48 -6.060 -0.687 9.501 1.00 1.30 C ATOM 730 CD ARG A 48 -7.149 -1.034 10.517 1.00 1.32 C ATOM 731 NE ARG A 48 -6.870 -0.346 11.814 1.00 1.71 N ATOM 732 CZ ARG A 48 -7.411 0.814 12.089 1.00 2.17 C ATOM 733 NH1 ARG A 48 -8.168 1.419 11.213 1.00 2.17 N ATOM 734 NH2 ARG A 48 -7.180 1.379 13.243 1.00 3.00 N ATOM 0 H ARG A 48 -3.314 1.091 9.561 1.00 0.46 H new ATOM 0 HA ARG A 48 -5.264 0.632 7.304 1.00 0.40 H new ATOM 0 HB2 ARG A 48 -5.681 1.307 10.252 1.00 0.44 H new ATOM 0 HB3 ARG A 48 -6.956 1.231 9.052 1.00 0.44 H new ATOM 0 HG2 ARG A 48 -6.277 -1.165 8.546 1.00 1.30 H new ATOM 0 HG3 ARG A 48 -5.099 -1.073 9.840 1.00 1.30 H new ATOM 0 HD2 ARG A 48 -8.124 -0.730 10.136 1.00 1.32 H new ATOM 0 HD3 ARG A 48 -7.188 -2.113 10.668 1.00 1.32 H new ATOM 0 HE ARG A 48 -6.250 -0.786 12.494 1.00 1.71 H new ATOM 0 HH11 ARG A 48 -8.342 0.988 10.305 1.00 2.17 H new ATOM 0 HH12 ARG A 48 -8.585 2.323 11.437 1.00 2.17 H new ATOM 0 HH21 ARG A 48 -6.580 0.917 13.926 1.00 3.00 H new ATOM 0 HH22 ARG A 48 -7.599 2.283 13.461 1.00 3.00 H new ATOM 748 N VAL A 49 -5.576 3.129 6.974 1.00 0.35 N ATOM 749 CA VAL A 49 -5.526 4.591 6.693 1.00 0.41 C ATOM 750 C VAL A 49 -6.923 5.164 6.481 1.00 0.38 C ATOM 751 O VAL A 49 -7.787 4.566 5.863 1.00 0.37 O ATOM 752 CB VAL A 49 -4.673 4.834 5.445 1.00 0.50 C ATOM 753 CG1 VAL A 49 -5.336 4.187 4.228 1.00 1.63 C ATOM 754 CG2 VAL A 49 -4.541 6.339 5.205 1.00 1.04 C ATOM 0 H VAL A 49 -6.163 2.582 6.345 1.00 0.35 H new ATOM 0 HA VAL A 49 -5.085 5.094 7.554 1.00 0.41 H new ATOM 0 HB VAL A 49 -3.686 4.395 5.595 1.00 0.50 H new ATOM 0 HG11 VAL A 49 -4.724 4.364 3.343 1.00 1.63 H new ATOM 0 HG12 VAL A 49 -5.433 3.114 4.394 1.00 1.63 H new ATOM 0 HG13 VAL A 49 -6.324 4.622 4.078 1.00 1.63 H new ATOM 0 HG21 VAL A 49 -3.934 6.514 4.317 1.00 1.04 H new ATOM 0 HG22 VAL A 49 -5.530 6.772 5.059 1.00 1.04 H new ATOM 0 HG23 VAL A 49 -4.064 6.805 6.068 1.00 1.04 H new ATOM 764 N ASN A 50 -7.122 6.333 7.010 1.00 0.39 N ATOM 765 CA ASN A 50 -8.420 7.043 6.897 1.00 0.42 C ATOM 766 C ASN A 50 -8.529 7.741 5.534 1.00 0.42 C ATOM 767 O ASN A 50 -7.556 7.953 4.838 1.00 0.39 O ATOM 768 CB ASN A 50 -8.514 8.073 8.017 1.00 0.48 C ATOM 769 CG ASN A 50 -9.956 8.567 8.154 1.00 1.38 C ATOM 770 OD1 ASN A 50 -10.822 8.171 7.400 1.00 2.28 O ATOM 771 ND2 ASN A 50 -10.253 9.422 9.095 1.00 1.90 N ATOM 0 H ASN A 50 -6.412 6.844 7.535 1.00 0.39 H new ATOM 0 HA ASN A 50 -9.236 6.326 6.982 1.00 0.42 H new ATOM 0 HB2 ASN A 50 -8.181 7.632 8.957 1.00 0.48 H new ATOM 0 HB3 ASN A 50 -7.852 8.913 7.807 1.00 0.48 H new ATOM 0 HD21 ASN A 50 -11.211 9.757 9.196 1.00 1.90 H new ATOM 0 HD22 ASN A 50 -9.527 9.755 9.729 1.00 1.90 H new ATOM 778 N ILE A 51 -9.721 8.106 5.178 1.00 0.51 N ATOM 779 CA ILE A 51 -9.989 8.812 3.885 1.00 0.56 C ATOM 780 C ILE A 51 -9.203 10.130 3.813 1.00 0.57 C ATOM 781 O ILE A 51 -8.944 10.642 2.741 1.00 0.59 O ATOM 782 CB ILE A 51 -11.474 9.164 3.812 1.00 0.73 C ATOM 783 CG1 ILE A 51 -12.326 7.912 4.005 1.00 0.81 C ATOM 784 CG2 ILE A 51 -11.786 9.777 2.447 1.00 0.81 C ATOM 785 CD1 ILE A 51 -11.836 6.765 3.116 1.00 1.41 C ATOM 0 H ILE A 51 -10.554 7.942 5.743 1.00 0.51 H new ATOM 0 HA ILE A 51 -9.690 8.156 3.067 1.00 0.56 H new ATOM 0 HB ILE A 51 -11.705 9.878 4.602 1.00 0.73 H new ATOM 0 HG12 ILE A 51 -12.294 7.605 5.050 1.00 0.81 H new ATOM 0 HG13 ILE A 51 -13.366 8.138 3.771 1.00 0.81 H new ATOM 0 HG21 ILE A 51 -12.845 10.028 2.395 1.00 0.81 H new ATOM 0 HG22 ILE A 51 -11.192 10.680 2.309 1.00 0.81 H new ATOM 0 HG23 ILE A 51 -11.544 9.060 1.662 1.00 0.81 H new ATOM 0 HD11 ILE A 51 -12.463 5.888 3.276 1.00 1.41 H new ATOM 0 HD12 ILE A 51 -11.893 7.066 2.070 1.00 1.41 H new ATOM 0 HD13 ILE A 51 -10.803 6.524 3.369 1.00 1.41 H new ATOM 797 N LEU A 52 -8.901 10.728 4.932 1.00 0.61 N ATOM 798 CA LEU A 52 -8.230 12.061 4.905 1.00 0.70 C ATOM 799 C LEU A 52 -6.952 12.024 4.069 1.00 0.64 C ATOM 800 O LEU A 52 -6.683 12.969 3.354 1.00 0.75 O ATOM 801 CB LEU A 52 -7.867 12.469 6.340 1.00 0.76 C ATOM 802 CG LEU A 52 -9.117 12.490 7.226 1.00 0.85 C ATOM 803 CD1 LEU A 52 -8.740 12.998 8.620 1.00 1.25 C ATOM 804 CD2 LEU A 52 -10.170 13.426 6.627 1.00 1.08 C ATOM 0 H LEU A 52 -9.089 10.354 5.862 1.00 0.61 H new ATOM 0 HA LEU A 52 -8.917 12.779 4.458 1.00 0.70 H new ATOM 0 HB2 LEU A 52 -7.136 11.771 6.749 1.00 0.76 H new ATOM 0 HB3 LEU A 52 -7.400 13.454 6.337 1.00 0.76 H new ATOM 0 HG LEU A 52 -9.523 11.481 7.290 1.00 0.85 H new ATOM 0 HD11 LEU A 52 -9.627 13.014 9.253 1.00 1.25 H new ATOM 0 HD12 LEU A 52 -7.993 12.336 9.059 1.00 1.25 H new ATOM 0 HD13 LEU A 52 -8.331 14.005 8.542 1.00 1.25 H new ATOM 0 HD21 LEU A 52 -11.054 13.434 7.264 1.00 1.08 H new ATOM 0 HD22 LEU A 52 -9.763 14.435 6.558 1.00 1.08 H new ATOM 0 HD23 LEU A 52 -10.443 13.077 5.631 1.00 1.08 H new ATOM 816 N HIS A 53 -6.175 10.965 4.104 1.00 0.52 N ATOM 817 CA HIS A 53 -4.954 10.951 3.240 1.00 0.55 C ATOM 818 C HIS A 53 -4.948 9.699 2.367 1.00 0.45 C ATOM 819 O HIS A 53 -4.391 8.677 2.716 1.00 0.50 O ATOM 820 CB HIS A 53 -3.715 10.950 4.135 1.00 0.70 C ATOM 821 CG HIS A 53 -3.658 12.234 4.916 1.00 0.84 C ATOM 822 ND1 HIS A 53 -4.218 12.353 6.181 1.00 1.50 N ATOM 823 CD2 HIS A 53 -3.117 13.461 4.626 1.00 1.35 C ATOM 824 CE1 HIS A 53 -4.002 13.613 6.602 1.00 1.35 C ATOM 825 NE2 HIS A 53 -3.336 14.327 5.692 1.00 1.20 N ATOM 0 H HIS A 53 -6.328 10.134 4.676 1.00 0.52 H new ATOM 0 HA HIS A 53 -4.952 11.832 2.598 1.00 0.55 H new ATOM 0 HB2 HIS A 53 -3.746 10.099 4.816 1.00 0.70 H new ATOM 0 HB3 HIS A 53 -2.816 10.841 3.529 1.00 0.70 H new ATOM 0 HD2 HIS A 53 -2.601 13.715 3.712 1.00 1.35 H new ATOM 0 HE1 HIS A 53 -4.327 13.998 7.557 1.00 1.35 H new ATOM 0 HE2 HIS A 53 -3.048 15.303 5.763 1.00 1.20 H new ATOM 834 N LEU A 54 -5.542 9.809 1.213 1.00 0.42 N ATOM 835 CA LEU A 54 -5.570 8.677 0.250 1.00 0.43 C ATOM 836 C LEU A 54 -4.856 9.107 -1.049 1.00 0.36 C ATOM 837 O LEU A 54 -5.208 10.114 -1.629 1.00 0.39 O ATOM 838 CB LEU A 54 -7.030 8.339 -0.029 1.00 0.59 C ATOM 839 CG LEU A 54 -7.112 7.060 -0.860 1.00 0.92 C ATOM 840 CD1 LEU A 54 -6.682 5.862 -0.005 1.00 1.56 C ATOM 841 CD2 LEU A 54 -8.553 6.845 -1.318 1.00 1.29 C ATOM 0 H LEU A 54 -6.018 10.652 0.892 1.00 0.42 H new ATOM 0 HA LEU A 54 -5.061 7.802 0.653 1.00 0.43 H new ATOM 0 HB2 LEU A 54 -7.569 8.210 0.909 1.00 0.59 H new ATOM 0 HB3 LEU A 54 -7.509 9.161 -0.561 1.00 0.59 H new ATOM 0 HG LEU A 54 -6.455 7.151 -1.725 1.00 0.92 H new ATOM 0 HD11 LEU A 54 -6.741 4.951 -0.600 1.00 1.56 H new ATOM 0 HD12 LEU A 54 -5.657 6.007 0.335 1.00 1.56 H new ATOM 0 HD13 LEU A 54 -7.342 5.775 0.858 1.00 1.56 H new ATOM 0 HD21 LEU A 54 -8.614 5.933 -1.911 1.00 1.29 H new ATOM 0 HD22 LEU A 54 -9.202 6.755 -0.447 1.00 1.29 H new ATOM 0 HD23 LEU A 54 -8.873 7.693 -1.923 1.00 1.29 H new ATOM 853 N GLU A 55 -3.909 8.342 -1.551 1.00 0.39 N ATOM 854 CA GLU A 55 -3.253 8.713 -2.857 1.00 0.38 C ATOM 855 C GLU A 55 -3.146 7.446 -3.734 1.00 0.43 C ATOM 856 O GLU A 55 -2.143 6.760 -3.712 1.00 0.50 O ATOM 857 CB GLU A 55 -1.851 9.293 -2.602 1.00 0.44 C ATOM 858 CG GLU A 55 -1.809 10.011 -1.248 1.00 0.85 C ATOM 859 CD GLU A 55 -2.836 11.145 -1.232 1.00 1.55 C ATOM 860 OE1 GLU A 55 -3.014 11.772 -2.263 1.00 2.20 O ATOM 861 OE2 GLU A 55 -3.428 11.368 -0.188 1.00 2.28 O ATOM 0 H GLU A 55 -3.563 7.485 -1.120 1.00 0.39 H new ATOM 0 HA GLU A 55 -3.851 9.469 -3.366 1.00 0.38 H new ATOM 0 HB2 GLU A 55 -1.111 8.493 -2.620 1.00 0.44 H new ATOM 0 HB3 GLU A 55 -1.588 9.989 -3.398 1.00 0.44 H new ATOM 0 HG2 GLU A 55 -2.020 9.305 -0.445 1.00 0.85 H new ATOM 0 HG3 GLU A 55 -0.811 10.409 -1.068 1.00 0.85 H new ATOM 868 N PRO A 56 -4.168 7.114 -4.483 1.00 0.46 N ATOM 869 CA PRO A 56 -4.177 5.902 -5.347 1.00 0.52 C ATOM 870 C PRO A 56 -3.794 6.135 -6.821 1.00 0.50 C ATOM 871 O PRO A 56 -4.039 7.184 -7.382 1.00 0.53 O ATOM 872 CB PRO A 56 -5.637 5.476 -5.258 1.00 0.66 C ATOM 873 CG PRO A 56 -6.415 6.753 -5.110 1.00 0.69 C ATOM 874 CD PRO A 56 -5.444 7.829 -4.604 1.00 0.56 C ATOM 0 HA PRO A 56 -3.434 5.178 -5.012 1.00 0.52 H new ATOM 0 HB2 PRO A 56 -5.943 4.931 -6.151 1.00 0.66 H new ATOM 0 HB3 PRO A 56 -5.802 4.814 -4.408 1.00 0.66 H new ATOM 0 HG2 PRO A 56 -6.852 7.049 -6.064 1.00 0.69 H new ATOM 0 HG3 PRO A 56 -7.240 6.621 -4.409 1.00 0.69 H new ATOM 0 HD2 PRO A 56 -5.371 8.663 -5.302 1.00 0.56 H new ATOM 0 HD3 PRO A 56 -5.765 8.241 -3.647 1.00 0.56 H new ATOM 882 N THR A 57 -3.242 5.124 -7.454 1.00 0.56 N ATOM 883 CA THR A 57 -2.886 5.227 -8.914 1.00 0.63 C ATOM 884 C THR A 57 -3.826 4.271 -9.654 1.00 0.66 C ATOM 885 O THR A 57 -4.435 3.433 -9.026 1.00 0.71 O ATOM 886 CB THR A 57 -1.431 4.798 -9.133 1.00 0.78 C ATOM 887 OG1 THR A 57 -1.332 3.386 -9.008 1.00 0.88 O ATOM 888 CG2 THR A 57 -0.535 5.472 -8.094 1.00 0.78 C ATOM 0 H THR A 57 -3.021 4.227 -7.022 1.00 0.56 H new ATOM 0 HA THR A 57 -2.990 6.250 -9.275 1.00 0.63 H new ATOM 0 HB THR A 57 -1.109 5.097 -10.131 1.00 0.78 H new ATOM 0 HG1 THR A 57 -0.713 3.165 -8.281 1.00 0.88 H new ATOM 0 HG21 THR A 57 0.499 5.165 -8.252 1.00 0.78 H new ATOM 0 HG22 THR A 57 -0.612 6.555 -8.195 1.00 0.78 H new ATOM 0 HG23 THR A 57 -0.852 5.177 -7.094 1.00 0.78 H new ATOM 896 N ASP A 58 -4.019 4.376 -10.954 1.00 0.71 N ATOM 897 CA ASP A 58 -4.997 3.440 -11.590 1.00 0.78 C ATOM 898 C ASP A 58 -4.372 2.058 -11.786 1.00 0.87 C ATOM 899 O ASP A 58 -3.612 1.811 -12.700 1.00 1.59 O ATOM 900 CB ASP A 58 -5.429 3.998 -12.939 1.00 0.88 C ATOM 901 CG ASP A 58 -6.227 5.287 -12.733 1.00 1.77 C ATOM 902 OD1 ASP A 58 -6.618 5.546 -11.607 1.00 2.57 O ATOM 903 OD2 ASP A 58 -6.435 5.994 -13.706 1.00 2.16 O ATOM 0 H ASP A 58 -3.561 5.042 -11.576 1.00 0.71 H new ATOM 0 HA ASP A 58 -5.863 3.341 -10.935 1.00 0.78 H new ATOM 0 HB2 ASP A 58 -4.554 4.196 -13.558 1.00 0.88 H new ATOM 0 HB3 ASP A 58 -6.036 3.264 -13.469 1.00 0.88 H new ATOM 908 N LYS A 59 -4.674 1.186 -10.874 1.00 0.69 N ATOM 909 CA LYS A 59 -4.131 -0.197 -10.847 1.00 0.63 C ATOM 910 C LYS A 59 -5.242 -1.233 -11.077 1.00 0.92 C ATOM 911 O LYS A 59 -6.347 -0.925 -11.477 1.00 1.56 O ATOM 912 CB LYS A 59 -3.408 -0.470 -9.531 1.00 0.62 C ATOM 913 CG LYS A 59 -1.975 -0.975 -9.785 1.00 1.23 C ATOM 914 CD LYS A 59 -0.979 0.181 -9.674 1.00 1.26 C ATOM 915 CE LYS A 59 -1.268 1.236 -10.740 1.00 2.14 C ATOM 916 NZ LYS A 59 -0.143 2.212 -10.794 1.00 2.90 N ATOM 0 H LYS A 59 -5.311 1.388 -10.103 1.00 0.69 H new ATOM 0 HA LYS A 59 -3.411 -0.288 -11.660 1.00 0.63 H new ATOM 0 HB2 LYS A 59 -3.376 0.441 -8.933 1.00 0.62 H new ATOM 0 HB3 LYS A 59 -3.962 -1.211 -8.954 1.00 0.62 H new ATOM 0 HG2 LYS A 59 -1.723 -1.752 -9.064 1.00 1.23 H new ATOM 0 HG3 LYS A 59 -1.911 -1.426 -10.775 1.00 1.23 H new ATOM 0 HD2 LYS A 59 -1.042 0.630 -8.683 1.00 1.26 H new ATOM 0 HD3 LYS A 59 0.038 -0.194 -9.790 1.00 1.26 H new ATOM 0 HE2 LYS A 59 -1.397 0.760 -11.712 1.00 2.14 H new ATOM 0 HE3 LYS A 59 -2.200 1.752 -10.512 1.00 2.14 H new ATOM 0 HZ1 LYS A 59 -0.169 2.722 -11.700 1.00 2.90 H new ATOM 0 HZ2 LYS A 59 -0.234 2.891 -10.011 1.00 2.90 H new ATOM 0 HZ3 LYS A 59 0.761 1.705 -10.709 1.00 2.90 H new ATOM 930 N LYS A 60 -4.930 -2.458 -10.764 1.00 0.91 N ATOM 931 CA LYS A 60 -5.869 -3.599 -10.858 1.00 1.21 C ATOM 932 C LYS A 60 -6.668 -3.601 -9.559 1.00 0.55 C ATOM 933 O LYS A 60 -6.254 -2.985 -8.598 1.00 1.43 O ATOM 934 CB LYS A 60 -5.051 -4.885 -10.976 1.00 2.34 C ATOM 935 CG LYS A 60 -5.985 -6.065 -11.198 1.00 2.82 C ATOM 936 CD LYS A 60 -5.173 -7.358 -11.276 1.00 3.96 C ATOM 937 CE LYS A 60 -6.095 -8.517 -11.657 1.00 4.45 C ATOM 938 NZ LYS A 60 -6.499 -8.381 -13.085 1.00 5.03 N ATOM 0 H LYS A 60 -4.004 -2.723 -10.427 1.00 0.91 H new ATOM 0 HA LYS A 60 -6.532 -3.525 -11.720 1.00 1.21 H new ATOM 0 HB2 LYS A 60 -4.346 -4.805 -11.804 1.00 2.34 H new ATOM 0 HB3 LYS A 60 -4.463 -5.039 -10.071 1.00 2.34 H new ATOM 0 HG2 LYS A 60 -6.708 -6.127 -10.385 1.00 2.82 H new ATOM 0 HG3 LYS A 60 -6.552 -5.924 -12.118 1.00 2.82 H new ATOM 0 HD2 LYS A 60 -4.376 -7.256 -12.013 1.00 3.96 H new ATOM 0 HD3 LYS A 60 -4.696 -7.559 -10.317 1.00 3.96 H new ATOM 0 HE2 LYS A 60 -5.585 -9.468 -11.501 1.00 4.45 H new ATOM 0 HE3 LYS A 60 -6.977 -8.520 -11.017 1.00 4.45 H new ATOM 0 HZ1 LYS A 60 -6.828 -9.301 -13.442 1.00 5.03 H new ATOM 0 HZ2 LYS A 60 -7.267 -7.685 -13.164 1.00 5.03 H new ATOM 0 HZ3 LYS A 60 -5.684 -8.062 -13.647 1.00 5.03 H new ATOM 952 N ILE A 61 -7.786 -4.283 -9.486 1.00 0.90 N ATOM 953 CA ILE A 61 -8.561 -4.304 -8.207 1.00 1.43 C ATOM 954 C ILE A 61 -8.709 -5.754 -7.717 1.00 0.99 C ATOM 955 O ILE A 61 -9.232 -6.611 -8.401 1.00 1.45 O ATOM 956 CB ILE A 61 -9.964 -3.739 -8.503 1.00 2.80 C ATOM 957 CG1 ILE A 61 -10.839 -3.795 -7.251 1.00 3.66 C ATOM 958 CG2 ILE A 61 -10.641 -4.562 -9.605 1.00 3.54 C ATOM 959 CD1 ILE A 61 -12.096 -2.949 -7.468 1.00 4.81 C ATOM 0 H ILE A 61 -8.192 -4.822 -10.251 1.00 0.90 H new ATOM 0 HA ILE A 61 -8.050 -3.716 -7.445 1.00 1.43 H new ATOM 0 HB ILE A 61 -9.850 -2.704 -8.825 1.00 2.80 H new ATOM 0 HG12 ILE A 61 -11.115 -4.827 -7.033 1.00 3.66 H new ATOM 0 HG13 ILE A 61 -10.283 -3.425 -6.389 1.00 3.66 H new ATOM 0 HG21 ILE A 61 -11.632 -4.155 -9.807 1.00 3.54 H new ATOM 0 HG22 ILE A 61 -10.039 -4.519 -10.513 1.00 3.54 H new ATOM 0 HG23 ILE A 61 -10.734 -5.598 -9.280 1.00 3.54 H new ATOM 0 HD11 ILE A 61 -12.720 -2.989 -6.575 1.00 4.81 H new ATOM 0 HD12 ILE A 61 -11.810 -1.916 -7.665 1.00 4.81 H new ATOM 0 HD13 ILE A 61 -12.655 -3.339 -8.319 1.00 4.81 H new ATOM 971 N ASP A 62 -8.268 -6.009 -6.517 1.00 1.05 N ATOM 972 CA ASP A 62 -8.393 -7.382 -5.932 1.00 0.82 C ATOM 973 C ASP A 62 -8.237 -7.326 -4.406 1.00 0.92 C ATOM 974 O ASP A 62 -7.132 -7.192 -3.919 1.00 1.22 O ATOM 975 CB ASP A 62 -7.336 -8.292 -6.528 1.00 1.33 C ATOM 976 CG ASP A 62 -7.594 -9.733 -6.083 1.00 1.56 C ATOM 977 OD1 ASP A 62 -8.569 -9.950 -5.382 1.00 2.14 O ATOM 978 OD2 ASP A 62 -6.825 -10.597 -6.467 1.00 2.06 O ATOM 0 H ASP A 62 -7.822 -5.323 -5.908 1.00 1.05 H new ATOM 0 HA ASP A 62 -9.381 -7.778 -6.168 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -7.356 -8.227 -7.616 1.00 1.33 H new ATOM 0 HB3 ASP A 62 -6.344 -7.973 -6.208 1.00 1.33 H new ATOM 983 N ILE A 63 -9.285 -7.491 -3.632 1.00 0.75 N ATOM 984 CA ILE A 63 -9.163 -7.522 -2.140 1.00 0.87 C ATOM 985 C ILE A 63 -9.904 -8.784 -1.672 1.00 0.70 C ATOM 986 O ILE A 63 -10.988 -9.046 -2.156 1.00 0.66 O ATOM 987 CB ILE A 63 -9.824 -6.256 -1.583 1.00 1.06 C ATOM 988 CG1 ILE A 63 -9.924 -6.327 -0.036 1.00 0.94 C ATOM 989 CG2 ILE A 63 -11.202 -6.053 -2.244 1.00 1.72 C ATOM 990 CD1 ILE A 63 -11.365 -6.095 0.427 1.00 1.64 C ATOM 0 H ILE A 63 -10.237 -7.608 -3.979 1.00 0.75 H new ATOM 0 HA ILE A 63 -8.128 -7.548 -1.798 1.00 0.87 H new ATOM 0 HB ILE A 63 -9.207 -5.390 -1.823 1.00 1.06 H new ATOM 0 HG12 ILE A 63 -9.578 -7.301 0.311 1.00 0.94 H new ATOM 0 HG13 ILE A 63 -9.269 -5.579 0.410 1.00 0.94 H new ATOM 0 HG21 ILE A 63 -11.668 -5.152 -1.845 1.00 1.72 H new ATOM 0 HG22 ILE A 63 -11.077 -5.950 -3.322 1.00 1.72 H new ATOM 0 HG23 ILE A 63 -11.837 -6.914 -2.033 1.00 1.72 H new ATOM 0 HD11 ILE A 63 -11.411 -6.149 1.515 1.00 1.64 H new ATOM 0 HD12 ILE A 63 -11.699 -5.111 0.098 1.00 1.64 H new ATOM 0 HD13 ILE A 63 -12.013 -6.860 -0.002 1.00 1.64 H new ATOM 1002 N GLN A 64 -9.395 -9.593 -0.769 1.00 0.71 N ATOM 1003 CA GLN A 64 -10.237 -10.779 -0.434 1.00 0.66 C ATOM 1004 C GLN A 64 -11.532 -10.291 0.221 1.00 0.61 C ATOM 1005 O GLN A 64 -12.586 -10.742 -0.162 1.00 1.32 O ATOM 1006 CB GLN A 64 -9.495 -11.711 0.529 1.00 0.77 C ATOM 1007 CG GLN A 64 -10.303 -12.998 0.726 1.00 1.23 C ATOM 1008 CD GLN A 64 -10.234 -13.841 -0.550 1.00 1.77 C ATOM 1009 OE1 GLN A 64 -9.176 -14.303 -0.930 1.00 2.17 O ATOM 1010 NE2 GLN A 64 -11.325 -14.059 -1.232 1.00 2.59 N ATOM 0 H GLN A 64 -8.503 -9.496 -0.284 1.00 0.71 H new ATOM 0 HA GLN A 64 -10.459 -11.333 -1.346 1.00 0.66 H new ATOM 0 HB2 GLN A 64 -8.507 -11.947 0.133 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -9.344 -11.214 1.487 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -9.908 -13.563 1.570 1.00 1.23 H new ATOM 0 HG3 GLN A 64 -11.340 -12.757 0.961 1.00 1.23 H new ATOM 0 HE21 GLN A 64 -12.212 -13.671 -0.912 1.00 2.59 H new ATOM 0 HE22 GLN A 64 -11.290 -14.618 -2.085 1.00 2.59 H new ATOM 1019 N LYS A 65 -11.444 -9.431 1.242 1.00 0.80 N ATOM 1020 CA LYS A 65 -12.623 -8.916 2.023 1.00 0.78 C ATOM 1021 C LYS A 65 -12.288 -9.079 3.517 1.00 0.69 C ATOM 1022 O LYS A 65 -12.792 -9.965 4.179 1.00 0.82 O ATOM 1023 CB LYS A 65 -13.924 -9.658 1.693 1.00 1.04 C ATOM 1024 CG LYS A 65 -15.069 -9.008 2.449 1.00 1.72 C ATOM 1025 CD LYS A 65 -16.355 -9.766 2.160 1.00 1.99 C ATOM 1026 CE LYS A 65 -17.502 -8.992 2.779 1.00 2.85 C ATOM 1027 NZ LYS A 65 -18.585 -9.935 3.179 1.00 3.48 N ATOM 0 H LYS A 65 -10.553 -9.057 1.569 1.00 0.80 H new ATOM 0 HA LYS A 65 -12.794 -7.872 1.758 1.00 0.78 H new ATOM 0 HB2 LYS A 65 -14.114 -9.625 0.620 1.00 1.04 H new ATOM 0 HB3 LYS A 65 -13.839 -10.709 1.970 1.00 1.04 H new ATOM 0 HG2 LYS A 65 -14.863 -9.013 3.519 1.00 1.72 H new ATOM 0 HG3 LYS A 65 -15.173 -7.965 2.149 1.00 1.72 H new ATOM 0 HD2 LYS A 65 -16.502 -9.871 1.085 1.00 1.99 H new ATOM 0 HD3 LYS A 65 -16.306 -10.773 2.575 1.00 1.99 H new ATOM 0 HE2 LYS A 65 -17.151 -8.436 3.648 1.00 2.85 H new ATOM 0 HE3 LYS A 65 -17.887 -8.262 2.067 1.00 2.85 H new ATOM 0 HZ1 LYS A 65 -19.371 -9.402 3.603 1.00 3.48 H new ATOM 0 HZ2 LYS A 65 -18.927 -10.447 2.341 1.00 3.48 H new ATOM 0 HZ3 LYS A 65 -18.214 -10.615 3.873 1.00 3.48 H new ATOM 1041 N GLY A 66 -11.423 -8.227 4.061 1.00 0.59 N ATOM 1042 CA GLY A 66 -11.062 -8.354 5.505 1.00 0.60 C ATOM 1043 C GLY A 66 -9.979 -9.426 5.675 1.00 0.55 C ATOM 1044 O GLY A 66 -9.845 -10.022 6.725 1.00 0.64 O ATOM 0 H GLY A 66 -10.965 -7.464 3.563 1.00 0.59 H new ATOM 0 HA2 GLY A 66 -10.703 -7.398 5.886 1.00 0.60 H new ATOM 0 HA3 GLY A 66 -11.944 -8.619 6.088 1.00 0.60 H new ATOM 1048 N ALA A 67 -9.242 -9.717 4.634 1.00 0.50 N ATOM 1049 CA ALA A 67 -8.210 -10.799 4.719 1.00 0.56 C ATOM 1050 C ALA A 67 -7.219 -10.578 5.882 1.00 0.56 C ATOM 1051 O ALA A 67 -6.830 -9.467 6.187 1.00 0.54 O ATOM 1052 CB ALA A 67 -7.442 -10.834 3.394 1.00 0.62 C ATOM 0 H ALA A 67 -9.309 -9.253 3.728 1.00 0.50 H new ATOM 0 HA ALA A 67 -8.719 -11.744 4.908 1.00 0.56 H new ATOM 0 HB1 ALA A 67 -6.684 -11.616 3.433 1.00 0.62 H new ATOM 0 HB2 ALA A 67 -8.134 -11.040 2.578 1.00 0.62 H new ATOM 0 HB3 ALA A 67 -6.961 -9.870 3.227 1.00 0.62 H new ATOM 1058 N SER A 68 -6.801 -11.659 6.516 1.00 0.63 N ATOM 1059 CA SER A 68 -5.818 -11.583 7.653 1.00 0.65 C ATOM 1060 C SER A 68 -4.441 -11.211 7.099 1.00 0.60 C ATOM 1061 O SER A 68 -4.214 -11.296 5.910 1.00 0.56 O ATOM 1062 CB SER A 68 -5.732 -12.942 8.347 1.00 0.73 C ATOM 1063 OG SER A 68 -5.019 -13.849 7.515 1.00 0.73 O ATOM 0 H SER A 68 -7.106 -12.605 6.288 1.00 0.63 H new ATOM 0 HA SER A 68 -6.145 -10.830 8.370 1.00 0.65 H new ATOM 0 HB2 SER A 68 -5.230 -12.841 9.309 1.00 0.73 H new ATOM 0 HB3 SER A 68 -6.733 -13.325 8.548 1.00 0.73 H new ATOM 0 HG SER A 68 -4.960 -14.722 7.957 1.00 0.73 H new ATOM 1069 N ASP A 69 -3.511 -10.780 7.923 1.00 0.64 N ATOM 1070 CA ASP A 69 -2.194 -10.398 7.355 1.00 0.60 C ATOM 1071 C ASP A 69 -1.621 -11.557 6.548 1.00 0.57 C ATOM 1072 O ASP A 69 -1.090 -11.354 5.479 1.00 0.51 O ATOM 1073 CB ASP A 69 -1.234 -10.074 8.502 1.00 0.66 C ATOM 1074 CG ASP A 69 0.049 -9.460 7.936 1.00 1.15 C ATOM 1075 OD1 ASP A 69 0.087 -9.214 6.742 1.00 2.02 O ATOM 1076 OD2 ASP A 69 0.969 -9.244 8.708 1.00 1.69 O ATOM 0 H ASP A 69 -3.609 -10.681 8.933 1.00 0.64 H new ATOM 0 HA ASP A 69 -2.319 -9.531 6.707 1.00 0.60 H new ATOM 0 HB2 ASP A 69 -1.705 -9.381 9.199 1.00 0.66 H new ATOM 0 HB3 ASP A 69 -1.000 -10.980 9.062 1.00 0.66 H new ATOM 1081 N GLU A 70 -1.697 -12.770 7.026 1.00 0.64 N ATOM 1082 CA GLU A 70 -1.099 -13.863 6.216 1.00 0.64 C ATOM 1083 C GLU A 70 -1.816 -13.934 4.874 1.00 0.59 C ATOM 1084 O GLU A 70 -1.200 -14.114 3.840 1.00 0.57 O ATOM 1085 CB GLU A 70 -1.263 -15.199 6.944 1.00 0.75 C ATOM 1086 CG GLU A 70 -0.469 -15.179 8.251 1.00 1.34 C ATOM 1087 CD GLU A 70 -0.585 -16.542 8.937 1.00 1.66 C ATOM 1088 OE1 GLU A 70 -1.380 -17.346 8.481 1.00 1.89 O ATOM 1089 OE2 GLU A 70 0.126 -16.759 9.905 1.00 2.30 O ATOM 0 H GLU A 70 -2.130 -13.043 7.908 1.00 0.64 H new ATOM 0 HA GLU A 70 -0.038 -13.664 6.065 1.00 0.64 H new ATOM 0 HB2 GLU A 70 -2.317 -15.383 7.151 1.00 0.75 H new ATOM 0 HB3 GLU A 70 -0.916 -16.014 6.309 1.00 0.75 H new ATOM 0 HG2 GLU A 70 0.577 -14.948 8.050 1.00 1.34 H new ATOM 0 HG3 GLU A 70 -0.848 -14.396 8.908 1.00 1.34 H new ATOM 1096 N GLU A 71 -3.106 -13.738 4.862 1.00 0.59 N ATOM 1097 CA GLU A 71 -3.811 -13.743 3.559 1.00 0.57 C ATOM 1098 C GLU A 71 -3.357 -12.528 2.756 1.00 0.51 C ATOM 1099 O GLU A 71 -3.199 -12.581 1.554 1.00 0.51 O ATOM 1100 CB GLU A 71 -5.323 -13.681 3.783 1.00 0.64 C ATOM 1101 CG GLU A 71 -5.787 -14.956 4.493 1.00 0.90 C ATOM 1102 CD GLU A 71 -7.308 -14.927 4.655 1.00 1.19 C ATOM 1103 OE1 GLU A 71 -7.893 -13.894 4.380 1.00 1.96 O ATOM 1104 OE2 GLU A 71 -7.861 -15.940 5.049 1.00 1.50 O ATOM 0 H GLU A 71 -3.689 -13.578 5.683 1.00 0.59 H new ATOM 0 HA GLU A 71 -3.577 -14.658 3.015 1.00 0.57 H new ATOM 0 HB2 GLU A 71 -5.577 -12.806 4.381 1.00 0.64 H new ATOM 0 HB3 GLU A 71 -5.839 -13.575 2.829 1.00 0.64 H new ATOM 0 HG2 GLU A 71 -5.489 -15.833 3.919 1.00 0.90 H new ATOM 0 HG3 GLU A 71 -5.308 -15.036 5.469 1.00 0.90 H new ATOM 1111 N VAL A 72 -3.149 -11.424 3.431 1.00 0.49 N ATOM 1112 CA VAL A 72 -2.712 -10.189 2.726 1.00 0.46 C ATOM 1113 C VAL A 72 -1.346 -10.370 2.088 1.00 0.41 C ATOM 1114 O VAL A 72 -1.119 -9.947 0.971 1.00 0.43 O ATOM 1115 CB VAL A 72 -2.617 -9.047 3.728 1.00 0.48 C ATOM 1116 CG1 VAL A 72 -1.974 -7.843 3.061 1.00 0.46 C ATOM 1117 CG2 VAL A 72 -4.009 -8.660 4.223 1.00 0.59 C ATOM 0 H VAL A 72 -3.264 -11.329 4.440 1.00 0.49 H new ATOM 0 HA VAL A 72 -3.443 -9.971 1.947 1.00 0.46 H new ATOM 0 HB VAL A 72 -2.013 -9.371 4.576 1.00 0.48 H new ATOM 0 HG11 VAL A 72 -1.905 -7.024 3.777 1.00 0.46 H new ATOM 0 HG12 VAL A 72 -0.975 -8.109 2.716 1.00 0.46 H new ATOM 0 HG13 VAL A 72 -2.580 -7.531 2.211 1.00 0.46 H new ATOM 0 HG21 VAL A 72 -3.926 -7.842 4.939 1.00 0.59 H new ATOM 0 HG22 VAL A 72 -4.620 -8.342 3.378 1.00 0.59 H new ATOM 0 HG23 VAL A 72 -4.475 -9.519 4.706 1.00 0.59 H new ATOM 1127 N LYS A 73 -0.417 -10.964 2.783 1.00 0.40 N ATOM 1128 CA LYS A 73 0.920 -11.110 2.175 1.00 0.43 C ATOM 1129 C LYS A 73 0.776 -11.915 0.888 1.00 0.47 C ATOM 1130 O LYS A 73 1.377 -11.608 -0.125 1.00 0.51 O ATOM 1131 CB LYS A 73 1.829 -11.829 3.171 1.00 0.48 C ATOM 1132 CG LYS A 73 2.010 -10.963 4.420 1.00 0.50 C ATOM 1133 CD LYS A 73 3.013 -11.647 5.345 1.00 0.59 C ATOM 1134 CE LYS A 73 3.110 -10.863 6.643 1.00 0.76 C ATOM 1135 NZ LYS A 73 4.195 -11.432 7.491 1.00 0.79 N ATOM 0 H LYS A 73 -0.527 -11.344 3.723 1.00 0.40 H new ATOM 0 HA LYS A 73 1.357 -10.140 1.938 1.00 0.43 H new ATOM 0 HB2 LYS A 73 1.397 -12.792 3.443 1.00 0.48 H new ATOM 0 HB3 LYS A 73 2.797 -12.032 2.714 1.00 0.48 H new ATOM 0 HG2 LYS A 73 2.366 -9.970 4.144 1.00 0.50 H new ATOM 0 HG3 LYS A 73 1.056 -10.829 4.929 1.00 0.50 H new ATOM 0 HD2 LYS A 73 2.700 -12.671 5.547 1.00 0.59 H new ATOM 0 HD3 LYS A 73 3.990 -11.701 4.865 1.00 0.59 H new ATOM 0 HE2 LYS A 73 3.313 -9.813 6.431 1.00 0.76 H new ATOM 0 HE3 LYS A 73 2.160 -10.903 7.176 1.00 0.76 H new ATOM 0 HZ1 LYS A 73 4.260 -10.894 8.379 1.00 0.79 H new ATOM 0 HZ2 LYS A 73 3.983 -12.428 7.704 1.00 0.79 H new ATOM 0 HZ3 LYS A 73 5.100 -11.372 6.983 1.00 0.79 H new ATOM 1149 N LYS A 74 -0.021 -12.949 0.919 1.00 0.49 N ATOM 1150 CA LYS A 74 -0.169 -13.741 -0.328 1.00 0.57 C ATOM 1151 C LYS A 74 -0.692 -12.797 -1.409 1.00 0.58 C ATOM 1152 O LYS A 74 -0.218 -12.791 -2.530 1.00 0.63 O ATOM 1153 CB LYS A 74 -1.154 -14.886 -0.113 1.00 0.63 C ATOM 1154 CG LYS A 74 -0.587 -15.856 0.923 1.00 1.16 C ATOM 1155 CD LYS A 74 -1.514 -17.062 1.040 1.00 1.19 C ATOM 1156 CE LYS A 74 -1.023 -17.983 2.159 1.00 2.01 C ATOM 1157 NZ LYS A 74 0.257 -18.623 1.748 1.00 2.33 N ATOM 0 H LYS A 74 -0.558 -13.269 1.725 1.00 0.49 H new ATOM 0 HA LYS A 74 0.788 -14.173 -0.622 1.00 0.57 H new ATOM 0 HB2 LYS A 74 -2.114 -14.496 0.225 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -1.335 -15.406 -1.054 1.00 0.63 H new ATOM 0 HG2 LYS A 74 0.412 -16.177 0.629 1.00 1.16 H new ATOM 0 HG3 LYS A 74 -0.492 -15.360 1.889 1.00 1.16 H new ATOM 0 HD2 LYS A 74 -2.532 -16.732 1.248 1.00 1.19 H new ATOM 0 HD3 LYS A 74 -1.542 -17.605 0.095 1.00 1.19 H new ATOM 0 HE2 LYS A 74 -0.879 -17.413 3.077 1.00 2.01 H new ATOM 0 HE3 LYS A 74 -1.772 -18.746 2.372 1.00 2.01 H new ATOM 0 HZ1 LYS A 74 0.487 -19.394 2.407 1.00 2.33 H new ATOM 0 HZ2 LYS A 74 0.160 -19.007 0.786 1.00 2.33 H new ATOM 0 HZ3 LYS A 74 1.019 -17.916 1.763 1.00 2.33 H new ATOM 1171 N LYS A 75 -1.653 -11.971 -1.069 1.00 0.55 N ATOM 1172 CA LYS A 75 -2.202 -11.000 -2.053 1.00 0.59 C ATOM 1173 C LYS A 75 -1.136 -10.040 -2.568 1.00 0.55 C ATOM 1174 O LYS A 75 -1.226 -9.576 -3.683 1.00 0.59 O ATOM 1175 CB LYS A 75 -3.379 -10.216 -1.464 1.00 0.62 C ATOM 1176 CG LYS A 75 -4.548 -11.177 -1.200 1.00 1.06 C ATOM 1177 CD LYS A 75 -5.834 -10.397 -0.887 1.00 1.32 C ATOM 1178 CE LYS A 75 -5.741 -9.687 0.466 1.00 1.88 C ATOM 1179 NZ LYS A 75 -7.018 -8.965 0.731 1.00 2.62 N ATOM 0 H LYS A 75 -2.080 -11.932 -0.144 1.00 0.55 H new ATOM 0 HA LYS A 75 -2.561 -11.585 -2.900 1.00 0.59 H new ATOM 0 HB2 LYS A 75 -3.078 -9.728 -0.537 1.00 0.62 H new ATOM 0 HB3 LYS A 75 -3.688 -9.430 -2.153 1.00 0.62 H new ATOM 0 HG2 LYS A 75 -4.706 -11.813 -2.071 1.00 1.06 H new ATOM 0 HG3 LYS A 75 -4.303 -11.834 -0.365 1.00 1.06 H new ATOM 0 HD2 LYS A 75 -6.017 -9.664 -1.673 1.00 1.32 H new ATOM 0 HD3 LYS A 75 -6.684 -11.080 -0.884 1.00 1.32 H new ATOM 0 HE2 LYS A 75 -5.548 -10.411 1.257 1.00 1.88 H new ATOM 0 HE3 LYS A 75 -4.907 -8.986 0.465 1.00 1.88 H new ATOM 0 HZ1 LYS A 75 -6.947 -8.453 1.634 1.00 2.62 H new ATOM 0 HZ2 LYS A 75 -7.200 -8.288 -0.037 1.00 2.62 H new ATOM 0 HZ3 LYS A 75 -7.800 -9.649 0.782 1.00 2.62 H new ATOM 1193 N LEU A 76 -0.152 -9.680 -1.787 1.00 0.51 N ATOM 1194 CA LEU A 76 0.831 -8.699 -2.319 1.00 0.52 C ATOM 1195 C LEU A 76 1.334 -9.234 -3.649 1.00 0.54 C ATOM 1196 O LEU A 76 1.523 -8.521 -4.600 1.00 0.59 O ATOM 1197 CB LEU A 76 2.000 -8.603 -1.333 1.00 0.58 C ATOM 1198 CG LEU A 76 2.985 -7.525 -1.791 1.00 0.76 C ATOM 1199 CD1 LEU A 76 2.365 -6.143 -1.604 1.00 1.30 C ATOM 1200 CD2 LEU A 76 4.262 -7.622 -0.955 1.00 1.28 C ATOM 0 H LEU A 76 0.010 -10.011 -0.836 1.00 0.51 H new ATOM 0 HA LEU A 76 0.382 -7.714 -2.449 1.00 0.52 H new ATOM 0 HB2 LEU A 76 1.627 -8.367 -0.336 1.00 0.58 H new ATOM 0 HB3 LEU A 76 2.508 -9.565 -1.264 1.00 0.58 H new ATOM 0 HG LEU A 76 3.219 -7.675 -2.845 1.00 0.76 H new ATOM 0 HD11 LEU A 76 3.071 -5.380 -1.932 1.00 1.30 H new ATOM 0 HD12 LEU A 76 1.452 -6.071 -2.195 1.00 1.30 H new ATOM 0 HD13 LEU A 76 2.128 -5.990 -0.551 1.00 1.30 H new ATOM 0 HD21 LEU A 76 4.967 -6.856 -1.278 1.00 1.28 H new ATOM 0 HD22 LEU A 76 4.020 -7.473 0.097 1.00 1.28 H new ATOM 0 HD23 LEU A 76 4.710 -8.607 -1.088 1.00 1.28 H new ATOM 1212 N GLU A 77 1.572 -10.481 -3.731 1.00 0.54 N ATOM 1213 CA GLU A 77 2.082 -10.980 -5.024 1.00 0.62 C ATOM 1214 C GLU A 77 1.057 -10.636 -6.114 1.00 0.66 C ATOM 1215 O GLU A 77 1.428 -10.318 -7.224 1.00 0.72 O ATOM 1216 CB GLU A 77 2.269 -12.477 -4.969 1.00 0.67 C ATOM 1217 CG GLU A 77 3.359 -12.836 -3.959 1.00 0.65 C ATOM 1218 CD GLU A 77 3.577 -14.348 -3.969 1.00 1.04 C ATOM 1219 OE1 GLU A 77 2.783 -15.036 -4.589 1.00 1.70 O ATOM 1220 OE2 GLU A 77 4.532 -14.795 -3.354 1.00 1.47 O ATOM 0 H GLU A 77 1.445 -11.172 -2.991 1.00 0.54 H new ATOM 0 HA GLU A 77 3.043 -10.515 -5.242 1.00 0.62 H new ATOM 0 HB2 GLU A 77 1.332 -12.958 -4.690 1.00 0.67 H new ATOM 0 HB3 GLU A 77 2.539 -12.854 -5.956 1.00 0.67 H new ATOM 0 HG2 GLU A 77 4.287 -12.321 -4.209 1.00 0.65 H new ATOM 0 HG3 GLU A 77 3.070 -12.505 -2.961 1.00 0.65 H new ATOM 1227 N GLU A 78 -0.227 -10.652 -5.820 1.00 0.65 N ATOM 1228 CA GLU A 78 -1.224 -10.279 -6.868 1.00 0.71 C ATOM 1229 C GLU A 78 -0.948 -8.837 -7.245 1.00 0.67 C ATOM 1230 O GLU A 78 -1.091 -8.419 -8.377 1.00 0.72 O ATOM 1231 CB GLU A 78 -2.638 -10.393 -6.290 1.00 0.74 C ATOM 1232 CG GLU A 78 -2.919 -11.852 -5.934 1.00 1.38 C ATOM 1233 CD GLU A 78 -4.344 -11.987 -5.400 1.00 1.60 C ATOM 1234 OE1 GLU A 78 -4.950 -10.964 -5.131 1.00 1.85 O ATOM 1235 OE2 GLU A 78 -4.807 -13.109 -5.276 1.00 2.29 O ATOM 0 H GLU A 78 -0.618 -10.904 -4.912 1.00 0.65 H new ATOM 0 HA GLU A 78 -1.147 -10.934 -7.736 1.00 0.71 H new ATOM 0 HB2 GLU A 78 -2.733 -9.765 -5.404 1.00 0.74 H new ATOM 0 HB3 GLU A 78 -3.370 -10.035 -7.014 1.00 0.74 H new ATOM 0 HG2 GLU A 78 -2.789 -12.482 -6.814 1.00 1.38 H new ATOM 0 HG3 GLU A 78 -2.206 -12.198 -5.186 1.00 1.38 H new ATOM 1242 N SER A 79 -0.520 -8.089 -6.275 1.00 0.62 N ATOM 1243 CA SER A 79 -0.189 -6.675 -6.535 1.00 0.62 C ATOM 1244 C SER A 79 1.013 -6.721 -7.489 1.00 0.68 C ATOM 1245 O SER A 79 1.254 -5.817 -8.263 1.00 0.74 O ATOM 1246 CB SER A 79 0.099 -5.956 -5.203 1.00 0.59 C ATOM 1247 OG SER A 79 1.299 -6.426 -4.633 1.00 1.41 O ATOM 0 H SER A 79 -0.386 -8.399 -5.313 1.00 0.62 H new ATOM 0 HA SER A 79 -1.000 -6.107 -6.991 1.00 0.62 H new ATOM 0 HB2 SER A 79 0.167 -4.881 -5.371 1.00 0.59 H new ATOM 0 HB3 SER A 79 -0.727 -6.119 -4.510 1.00 0.59 H new ATOM 0 HG SER A 79 1.403 -7.380 -4.830 1.00 1.41 H new ATOM 1253 N ASN A 80 1.757 -7.807 -7.414 1.00 0.72 N ATOM 1254 CA ASN A 80 2.965 -8.027 -8.279 1.00 0.85 C ATOM 1255 C ASN A 80 4.015 -6.969 -7.982 1.00 0.84 C ATOM 1256 O ASN A 80 4.651 -6.433 -8.868 1.00 0.95 O ATOM 1257 CB ASN A 80 2.574 -7.934 -9.759 1.00 0.98 C ATOM 1258 CG ASN A 80 1.405 -8.879 -10.051 1.00 1.05 C ATOM 1259 OD1 ASN A 80 0.443 -8.494 -10.688 1.00 1.40 O ATOM 1260 ND2 ASN A 80 1.448 -10.109 -9.622 1.00 1.53 N ATOM 0 H ASN A 80 1.568 -8.573 -6.767 1.00 0.72 H new ATOM 0 HA ASN A 80 3.369 -9.017 -8.067 1.00 0.85 H new ATOM 0 HB2 ASN A 80 2.295 -6.910 -10.007 1.00 0.98 H new ATOM 0 HB3 ASN A 80 3.427 -8.193 -10.386 1.00 0.98 H new ATOM 0 HD21 ASN A 80 0.676 -10.746 -9.821 1.00 1.53 H new ATOM 0 HD22 ASN A 80 2.253 -10.435 -9.088 1.00 1.53 H new ATOM 1267 N LEU A 81 4.197 -6.680 -6.730 1.00 0.80 N ATOM 1268 CA LEU A 81 5.217 -5.655 -6.347 1.00 0.88 C ATOM 1269 C LEU A 81 6.567 -6.296 -6.064 1.00 1.17 C ATOM 1270 O LEU A 81 7.486 -5.636 -5.667 1.00 1.25 O ATOM 1271 CB LEU A 81 4.746 -4.820 -5.165 1.00 1.13 C ATOM 1272 CG LEU A 81 3.386 -4.196 -5.494 1.00 1.49 C ATOM 1273 CD1 LEU A 81 3.017 -3.204 -4.411 1.00 1.87 C ATOM 1274 CD2 LEU A 81 3.407 -3.466 -6.831 1.00 2.46 C ATOM 0 H LEU A 81 3.690 -7.103 -5.953 1.00 0.80 H new ATOM 0 HA LEU A 81 5.342 -4.984 -7.197 1.00 0.88 H new ATOM 0 HB2 LEU A 81 4.667 -5.443 -4.274 1.00 1.13 H new ATOM 0 HB3 LEU A 81 5.473 -4.039 -4.944 1.00 1.13 H new ATOM 0 HG LEU A 81 2.656 -5.003 -5.552 1.00 1.49 H new ATOM 0 HD11 LEU A 81 2.050 -2.757 -4.641 1.00 1.87 H new ATOM 0 HD12 LEU A 81 2.961 -3.717 -3.451 1.00 1.87 H new ATOM 0 HD13 LEU A 81 3.775 -2.422 -4.360 1.00 1.87 H new ATOM 0 HD21 LEU A 81 2.424 -3.038 -7.027 1.00 2.46 H new ATOM 0 HD22 LEU A 81 4.150 -2.669 -6.799 1.00 2.46 H new ATOM 0 HD23 LEU A 81 3.662 -4.168 -7.625 1.00 2.46 H new ATOM 1286 N THR A 82 6.695 -7.569 -6.250 1.00 1.41 N ATOM 1287 CA THR A 82 7.987 -8.248 -5.951 1.00 1.79 C ATOM 1288 C THR A 82 9.149 -7.449 -6.544 1.00 1.79 C ATOM 1289 O THR A 82 10.234 -7.429 -5.998 1.00 1.97 O ATOM 1290 CB THR A 82 7.967 -9.633 -6.595 1.00 2.11 C ATOM 1291 OG1 THR A 82 6.817 -10.341 -6.155 1.00 2.13 O ATOM 1292 CG2 THR A 82 9.230 -10.407 -6.213 1.00 2.54 C ATOM 0 H THR A 82 5.957 -8.180 -6.599 1.00 1.41 H new ATOM 0 HA THR A 82 8.116 -8.324 -4.871 1.00 1.79 H new ATOM 0 HB THR A 82 7.935 -9.525 -7.679 1.00 2.11 H new ATOM 0 HG1 THR A 82 6.802 -11.229 -6.569 1.00 2.13 H new ATOM 0 HG21 THR A 82 9.207 -11.393 -6.677 1.00 2.54 H new ATOM 0 HG22 THR A 82 10.109 -9.863 -6.560 1.00 2.54 H new ATOM 0 HG23 THR A 82 9.276 -10.517 -5.129 1.00 2.54 H new ATOM 1300 N GLU A 83 8.950 -6.819 -7.657 1.00 1.69 N ATOM 1301 CA GLU A 83 10.056 -6.042 -8.279 1.00 1.83 C ATOM 1302 C GLU A 83 9.462 -5.110 -9.346 1.00 1.73 C ATOM 1303 O GLU A 83 10.157 -4.330 -9.964 1.00 1.85 O ATOM 1304 CB GLU A 83 11.045 -7.033 -8.911 1.00 2.32 C ATOM 1305 CG GLU A 83 12.301 -6.319 -9.428 1.00 2.54 C ATOM 1306 CD GLU A 83 13.204 -7.335 -10.130 1.00 2.96 C ATOM 1307 OE1 GLU A 83 12.817 -8.489 -10.205 1.00 3.13 O ATOM 1308 OE2 GLU A 83 14.270 -6.943 -10.579 1.00 3.53 O ATOM 0 H GLU A 83 8.068 -6.805 -8.169 1.00 1.69 H new ATOM 0 HA GLU A 83 10.580 -5.438 -7.538 1.00 1.83 H new ATOM 0 HB2 GLU A 83 11.329 -7.785 -8.175 1.00 2.32 H new ATOM 0 HB3 GLU A 83 10.560 -7.559 -9.733 1.00 2.32 H new ATOM 0 HG2 GLU A 83 12.023 -5.523 -10.119 1.00 2.54 H new ATOM 0 HG3 GLU A 83 12.834 -5.851 -8.601 1.00 2.54 H new ATOM 1315 N TYR A 84 8.167 -5.131 -9.533 1.00 1.58 N ATOM 1316 CA TYR A 84 7.598 -4.190 -10.523 1.00 1.68 C ATOM 1317 C TYR A 84 7.967 -2.817 -9.952 1.00 1.53 C ATOM 1318 O TYR A 84 8.396 -1.911 -10.640 1.00 1.85 O ATOM 1319 CB TYR A 84 6.075 -4.345 -10.610 1.00 1.54 C ATOM 1320 CG TYR A 84 5.548 -3.587 -11.820 1.00 1.85 C ATOM 1321 CD1 TYR A 84 5.609 -4.207 -13.076 1.00 2.10 C ATOM 1322 CD2 TYR A 84 5.016 -2.297 -11.714 1.00 2.50 C ATOM 1323 CE1 TYR A 84 5.140 -3.545 -14.215 1.00 2.45 C ATOM 1324 CE2 TYR A 84 4.547 -1.633 -12.857 1.00 2.86 C ATOM 1325 CZ TYR A 84 4.610 -2.257 -14.105 1.00 2.63 C ATOM 1326 OH TYR A 84 4.148 -1.603 -15.231 1.00 3.06 O ATOM 0 H TYR A 84 7.503 -5.741 -9.056 1.00 1.58 H new ATOM 0 HA TYR A 84 7.975 -4.353 -11.533 1.00 1.68 H new ATOM 0 HB2 TYR A 84 5.811 -5.400 -10.687 1.00 1.54 H new ATOM 0 HB3 TYR A 84 5.609 -3.966 -9.701 1.00 1.54 H new ATOM 0 HD1 TYR A 84 6.021 -5.202 -13.164 1.00 2.10 H new ATOM 0 HD2 TYR A 84 4.966 -1.812 -10.750 1.00 2.50 H new ATOM 0 HE1 TYR A 84 5.187 -4.029 -15.179 1.00 2.45 H new ATOM 0 HE2 TYR A 84 4.137 -0.638 -12.772 1.00 2.86 H new ATOM 0 HH TYR A 84 3.811 -0.718 -14.980 1.00 3.06 H new ATOM 1336 N MET A 85 7.773 -2.700 -8.652 1.00 1.09 N ATOM 1337 CA MET A 85 8.073 -1.432 -7.928 1.00 1.02 C ATOM 1338 C MET A 85 9.110 -1.681 -6.817 1.00 0.89 C ATOM 1339 O MET A 85 10.238 -2.064 -7.054 1.00 1.10 O ATOM 1340 CB MET A 85 6.785 -0.905 -7.265 1.00 0.95 C ATOM 1341 CG MET A 85 5.674 -0.755 -8.298 1.00 1.24 C ATOM 1342 SD MET A 85 6.230 0.255 -9.700 1.00 1.93 S ATOM 1343 CE MET A 85 6.544 1.768 -8.773 1.00 2.45 C ATOM 0 H MET A 85 7.413 -3.448 -8.060 1.00 1.09 H new ATOM 0 HA MET A 85 8.464 -0.710 -8.645 1.00 1.02 H new ATOM 0 HB2 MET A 85 6.468 -1.590 -6.478 1.00 0.95 H new ATOM 0 HB3 MET A 85 6.981 0.057 -6.791 1.00 0.95 H new ATOM 0 HG2 MET A 85 5.365 -1.739 -8.652 1.00 1.24 H new ATOM 0 HG3 MET A 85 4.801 -0.294 -7.836 1.00 1.24 H new ATOM 0 HE1 MET A 85 6.260 2.630 -9.377 1.00 2.45 H new ATOM 0 HE2 MET A 85 5.958 1.760 -7.854 1.00 2.45 H new ATOM 0 HE3 MET A 85 7.604 1.830 -8.527 1.00 2.45 H new ATOM 1353 N LYS A 86 8.693 -1.372 -5.617 1.00 0.69 N ATOM 1354 CA LYS A 86 9.549 -1.466 -4.400 1.00 0.66 C ATOM 1355 C LYS A 86 10.700 -0.469 -4.497 1.00 0.77 C ATOM 1356 O LYS A 86 11.817 -0.741 -4.104 1.00 0.83 O ATOM 1357 CB LYS A 86 10.067 -2.891 -4.231 1.00 0.81 C ATOM 1358 CG LYS A 86 8.868 -3.786 -3.953 1.00 0.90 C ATOM 1359 CD LYS A 86 9.308 -5.250 -3.862 1.00 1.28 C ATOM 1360 CE LYS A 86 10.327 -5.427 -2.751 1.00 1.33 C ATOM 1361 NZ LYS A 86 10.204 -6.796 -2.173 1.00 1.49 N ATOM 0 H LYS A 86 7.747 -1.042 -5.425 1.00 0.69 H new ATOM 0 HA LYS A 86 8.955 -1.217 -3.521 1.00 0.66 H new ATOM 0 HB2 LYS A 86 10.589 -3.218 -5.130 1.00 0.81 H new ATOM 0 HB3 LYS A 86 10.783 -2.944 -3.411 1.00 0.81 H new ATOM 0 HG2 LYS A 86 8.389 -3.485 -3.022 1.00 0.90 H new ATOM 0 HG3 LYS A 86 8.128 -3.670 -4.745 1.00 0.90 H new ATOM 0 HD2 LYS A 86 8.443 -5.886 -3.675 1.00 1.28 H new ATOM 0 HD3 LYS A 86 9.737 -5.567 -4.812 1.00 1.28 H new ATOM 0 HE2 LYS A 86 11.334 -5.274 -3.140 1.00 1.33 H new ATOM 0 HE3 LYS A 86 10.168 -4.678 -1.975 1.00 1.33 H new ATOM 0 HZ1 LYS A 86 10.903 -6.916 -1.412 1.00 1.49 H new ATOM 0 HZ2 LYS A 86 9.247 -6.925 -1.788 1.00 1.49 H new ATOM 0 HZ3 LYS A 86 10.377 -7.503 -2.916 1.00 1.49 H new ATOM 1375 N GLU A 87 10.412 0.699 -5.005 1.00 0.95 N ATOM 1376 CA GLU A 87 11.450 1.763 -5.130 1.00 1.19 C ATOM 1377 C GLU A 87 11.330 2.745 -3.952 1.00 1.21 C ATOM 1378 O GLU A 87 10.376 2.720 -3.200 1.00 1.60 O ATOM 1379 CB GLU A 87 11.304 2.493 -6.473 1.00 1.64 C ATOM 1380 CG GLU A 87 10.146 3.480 -6.422 1.00 1.85 C ATOM 1381 CD GLU A 87 9.943 4.094 -7.811 1.00 2.10 C ATOM 1382 OE1 GLU A 87 10.743 3.806 -8.686 1.00 2.30 O ATOM 1383 OE2 GLU A 87 8.996 4.847 -7.974 1.00 2.69 O ATOM 0 H GLU A 87 9.487 0.965 -5.344 1.00 0.95 H new ATOM 0 HA GLU A 87 12.440 1.307 -5.101 1.00 1.19 H new ATOM 0 HB2 GLU A 87 12.228 3.020 -6.709 1.00 1.64 H new ATOM 0 HB3 GLU A 87 11.137 1.769 -7.271 1.00 1.64 H new ATOM 0 HG2 GLU A 87 9.236 2.974 -6.099 1.00 1.85 H new ATOM 0 HG3 GLU A 87 10.352 4.263 -5.692 1.00 1.85 H new ATOM 1390 N LYS A 88 12.269 3.645 -3.836 1.00 1.46 N ATOM 1391 CA LYS A 88 12.181 4.676 -2.751 1.00 1.87 C ATOM 1392 C LYS A 88 11.531 5.929 -3.349 1.00 1.92 C ATOM 1393 O LYS A 88 11.936 6.394 -4.396 1.00 2.39 O ATOM 1394 CB LYS A 88 13.582 5.011 -2.237 1.00 2.33 C ATOM 1395 CG LYS A 88 14.197 3.765 -1.592 1.00 2.85 C ATOM 1396 CD LYS A 88 15.549 4.120 -0.968 1.00 3.63 C ATOM 1397 CE LYS A 88 16.211 2.848 -0.434 1.00 4.34 C ATOM 1398 NZ LYS A 88 17.285 2.413 -1.372 1.00 5.00 N ATOM 0 H LYS A 88 13.089 3.715 -4.439 1.00 1.46 H new ATOM 0 HA LYS A 88 11.589 4.301 -1.916 1.00 1.87 H new ATOM 0 HB2 LYS A 88 14.210 5.357 -3.058 1.00 2.33 H new ATOM 0 HB3 LYS A 88 13.531 5.823 -1.511 1.00 2.33 H new ATOM 0 HG2 LYS A 88 13.526 3.370 -0.829 1.00 2.85 H new ATOM 0 HG3 LYS A 88 14.325 2.982 -2.340 1.00 2.85 H new ATOM 0 HD2 LYS A 88 16.192 4.594 -1.710 1.00 3.63 H new ATOM 0 HD3 LYS A 88 15.412 4.839 -0.160 1.00 3.63 H new ATOM 0 HE2 LYS A 88 16.630 3.032 0.555 1.00 4.34 H new ATOM 0 HE3 LYS A 88 15.468 2.058 -0.324 1.00 4.34 H new ATOM 0 HZ1 LYS A 88 17.734 1.548 -1.008 1.00 5.00 H new ATOM 0 HZ2 LYS A 88 16.872 2.222 -2.307 1.00 5.00 H new ATOM 0 HZ3 LYS A 88 17.998 3.165 -1.456 1.00 5.00 H new ATOM 1412 N ILE A 89 10.504 6.469 -2.737 1.00 1.73 N ATOM 1413 CA ILE A 89 9.853 7.657 -3.361 1.00 2.05 C ATOM 1414 C ILE A 89 10.727 8.913 -3.352 1.00 2.29 C ATOM 1415 O ILE A 89 10.716 9.636 -4.327 1.00 2.82 O ATOM 1416 CB ILE A 89 8.505 7.942 -2.713 1.00 2.17 C ATOM 1417 CG1 ILE A 89 7.617 6.713 -2.911 1.00 2.64 C ATOM 1418 CG2 ILE A 89 7.860 9.167 -3.383 1.00 2.65 C ATOM 1419 CD1 ILE A 89 6.294 6.893 -2.180 1.00 3.26 C ATOM 0 H ILE A 89 10.100 6.148 -1.857 1.00 1.73 H new ATOM 0 HA ILE A 89 9.702 7.396 -4.409 1.00 2.05 H new ATOM 0 HB ILE A 89 8.628 8.151 -1.650 1.00 2.17 H new ATOM 0 HG12 ILE A 89 7.434 6.556 -3.974 1.00 2.64 H new ATOM 0 HG13 ILE A 89 8.127 5.824 -2.540 1.00 2.64 H new ATOM 0 HG21 ILE A 89 6.895 9.370 -2.918 1.00 2.65 H new ATOM 0 HG22 ILE A 89 8.511 10.033 -3.261 1.00 2.65 H new ATOM 0 HG23 ILE A 89 7.716 8.967 -4.445 1.00 2.65 H new ATOM 0 HD11 ILE A 89 5.672 6.010 -2.330 1.00 3.26 H new ATOM 0 HD12 ILE A 89 6.482 7.027 -1.115 1.00 3.26 H new ATOM 0 HD13 ILE A 89 5.779 7.770 -2.571 1.00 3.26 H new ATOM 1431 N LYS A 90 11.476 9.221 -2.310 1.00 2.27 N ATOM 1432 CA LYS A 90 12.301 10.469 -2.360 1.00 2.78 C ATOM 1433 C LYS A 90 13.751 10.133 -1.989 1.00 3.18 C ATOM 1434 O LYS A 90 13.995 9.390 -1.060 1.00 3.57 O ATOM 1435 CB LYS A 90 11.765 11.457 -1.314 1.00 3.20 C ATOM 1436 CG LYS A 90 10.307 11.820 -1.618 1.00 3.26 C ATOM 1437 CD LYS A 90 9.849 12.911 -0.645 1.00 4.15 C ATOM 1438 CE LYS A 90 8.359 13.201 -0.851 1.00 4.47 C ATOM 1439 NZ LYS A 90 7.657 13.144 0.462 1.00 4.39 N ATOM 0 H LYS A 90 11.548 8.675 -1.451 1.00 2.27 H new ATOM 0 HA LYS A 90 12.254 10.897 -3.361 1.00 2.78 H new ATOM 0 HB2 LYS A 90 11.837 11.017 -0.319 1.00 3.20 H new ATOM 0 HB3 LYS A 90 12.377 12.359 -1.309 1.00 3.20 H new ATOM 0 HG2 LYS A 90 10.213 12.169 -2.646 1.00 3.26 H new ATOM 0 HG3 LYS A 90 9.672 10.939 -1.521 1.00 3.26 H new ATOM 0 HD2 LYS A 90 10.028 12.593 0.382 1.00 4.15 H new ATOM 0 HD3 LYS A 90 10.431 13.819 -0.803 1.00 4.15 H new ATOM 0 HE2 LYS A 90 8.228 14.184 -1.303 1.00 4.47 H new ATOM 0 HE3 LYS A 90 7.927 12.473 -1.538 1.00 4.47 H new ATOM 0 HZ1 LYS A 90 6.917 13.874 0.492 1.00 4.39 H new ATOM 0 HZ2 LYS A 90 7.223 12.207 0.583 1.00 4.39 H new ATOM 0 HZ3 LYS A 90 8.340 13.311 1.228 1.00 4.39 H new ATOM 1453 N ILE A 91 14.710 10.707 -2.673 1.00 3.41 N ATOM 1454 CA ILE A 91 16.144 10.456 -2.321 1.00 3.92 C ATOM 1455 C ILE A 91 16.833 11.803 -2.094 1.00 3.90 C ATOM 1456 O ILE A 91 16.677 12.708 -2.890 1.00 4.10 O ATOM 1457 CB ILE A 91 16.832 9.738 -3.484 1.00 4.47 C ATOM 1458 CG1 ILE A 91 18.298 9.477 -3.128 1.00 5.08 C ATOM 1459 CG2 ILE A 91 16.768 10.621 -4.731 1.00 4.79 C ATOM 1460 CD1 ILE A 91 18.886 8.459 -4.107 1.00 5.67 C ATOM 0 H ILE A 91 14.563 11.339 -3.460 1.00 3.41 H new ATOM 0 HA ILE A 91 16.205 9.842 -1.423 1.00 3.92 H new ATOM 0 HB ILE A 91 16.328 8.791 -3.676 1.00 4.47 H new ATOM 0 HG12 ILE A 91 18.865 10.407 -3.170 1.00 5.08 H new ATOM 0 HG13 ILE A 91 18.375 9.102 -2.107 1.00 5.08 H new ATOM 0 HG21 ILE A 91 17.257 10.113 -5.562 1.00 4.79 H new ATOM 0 HG22 ILE A 91 15.726 10.815 -4.987 1.00 4.79 H new ATOM 0 HG23 ILE A 91 17.275 11.566 -4.534 1.00 4.79 H new ATOM 0 HD11 ILE A 91 19.930 8.272 -3.855 1.00 5.67 H new ATOM 0 HD12 ILE A 91 18.325 7.527 -4.043 1.00 5.67 H new ATOM 0 HD13 ILE A 91 18.823 8.852 -5.122 1.00 5.67 H new ATOM 1472 N ARG A 92 17.607 11.956 -1.041 1.00 4.10 N ATOM 1473 CA ARG A 92 18.313 13.255 -0.810 1.00 4.36 C ATOM 1474 C ARG A 92 19.800 12.993 -0.630 1.00 5.07 C ATOM 1475 O ARG A 92 20.200 11.967 -0.117 1.00 5.62 O ATOM 1476 CB ARG A 92 17.778 13.933 0.447 1.00 4.67 C ATOM 1477 CG ARG A 92 16.320 14.290 0.233 1.00 4.60 C ATOM 1478 CD ARG A 92 15.809 15.083 1.436 1.00 5.13 C ATOM 1479 NE ARG A 92 14.337 15.266 1.322 1.00 5.63 N ATOM 1480 CZ ARG A 92 13.540 14.253 1.515 1.00 6.06 C ATOM 1481 NH1 ARG A 92 14.034 13.078 1.797 1.00 6.10 N ATOM 1482 NH2 ARG A 92 12.249 14.415 1.423 1.00 6.75 N ATOM 0 H ARG A 92 17.778 11.239 -0.336 1.00 4.10 H new ATOM 0 HA ARG A 92 18.144 13.904 -1.669 1.00 4.36 H new ATOM 0 HB2 ARG A 92 17.881 13.269 1.306 1.00 4.67 H new ATOM 0 HB3 ARG A 92 18.357 14.830 0.666 1.00 4.67 H new ATOM 0 HG2 ARG A 92 16.208 14.878 -0.678 1.00 4.60 H new ATOM 0 HG3 ARG A 92 15.728 13.384 0.103 1.00 4.60 H new ATOM 0 HD2 ARG A 92 16.050 14.558 2.360 1.00 5.13 H new ATOM 0 HD3 ARG A 92 16.304 16.053 1.482 1.00 5.13 H new ATOM 0 HE ARG A 92 13.952 16.183 1.093 1.00 5.63 H new ATOM 0 HH11 ARG A 92 15.044 12.953 1.866 1.00 6.10 H new ATOM 0 HH12 ARG A 92 13.410 12.285 1.948 1.00 6.10 H new ATOM 0 HH21 ARG A 92 11.865 15.333 1.200 1.00 6.75 H new ATOM 0 HH22 ARG A 92 11.624 13.623 1.574 1.00 6.75 H new ATOM 1496 N MET A 93 20.629 13.899 -1.054 1.00 5.38 N ATOM 1497 CA MET A 93 22.083 13.665 -0.907 1.00 6.31 C ATOM 1498 C MET A 93 22.423 13.359 0.564 1.00 6.69 C ATOM 1499 O MET A 93 22.980 12.317 0.844 1.00 7.36 O ATOM 1500 CB MET A 93 22.857 14.893 -1.407 1.00 6.91 C ATOM 1501 CG MET A 93 24.260 14.915 -0.794 1.00 7.73 C ATOM 1502 SD MET A 93 24.992 13.263 -0.915 1.00 8.74 S ATOM 1503 CE MET A 93 25.944 13.323 0.621 1.00 9.50 C ATOM 0 H MET A 93 20.365 14.782 -1.491 1.00 5.38 H new ATOM 0 HA MET A 93 22.375 12.804 -1.508 1.00 6.31 H new ATOM 0 HB2 MET A 93 22.927 14.871 -2.495 1.00 6.91 H new ATOM 0 HB3 MET A 93 22.321 15.804 -1.141 1.00 6.91 H new ATOM 0 HG2 MET A 93 24.885 15.641 -1.314 1.00 7.73 H new ATOM 0 HG3 MET A 93 24.209 15.227 0.249 1.00 7.73 H new ATOM 0 HE1 MET A 93 26.486 12.386 0.750 1.00 9.50 H new ATOM 0 HE2 MET A 93 26.654 14.149 0.577 1.00 9.50 H new ATOM 0 HE3 MET A 93 25.267 13.470 1.463 1.00 9.50 H new ATOM 1513 N PRO A 94 22.090 14.211 1.522 1.00 6.57 N ATOM 1514 CA PRO A 94 22.395 13.898 2.950 1.00 7.22 C ATOM 1515 C PRO A 94 21.709 12.607 3.418 1.00 7.14 C ATOM 1516 O PRO A 94 22.291 11.809 4.127 1.00 7.68 O ATOM 1517 CB PRO A 94 21.851 15.102 3.729 1.00 7.33 C ATOM 1518 CG PRO A 94 20.923 15.809 2.795 1.00 6.87 C ATOM 1519 CD PRO A 94 21.423 15.517 1.382 1.00 6.18 C ATOM 0 HA PRO A 94 23.462 13.735 3.102 1.00 7.22 H new ATOM 0 HB2 PRO A 94 21.328 14.780 4.630 1.00 7.33 H new ATOM 0 HB3 PRO A 94 22.660 15.759 4.047 1.00 7.33 H new ATOM 0 HG2 PRO A 94 19.900 15.457 2.925 1.00 6.87 H new ATOM 0 HG3 PRO A 94 20.918 16.881 2.991 1.00 6.87 H new ATOM 0 HD2 PRO A 94 20.603 15.475 0.666 1.00 6.18 H new ATOM 0 HD3 PRO A 94 22.112 16.285 1.032 1.00 6.18 H new ATOM 1527 N THR A 95 20.481 12.382 3.015 1.00 6.80 N ATOM 1528 CA THR A 95 19.791 11.127 3.434 1.00 7.13 C ATOM 1529 C THR A 95 20.519 9.950 2.800 1.00 7.25 C ATOM 1530 O THR A 95 20.699 8.909 3.403 1.00 7.69 O ATOM 1531 CB THR A 95 18.334 11.133 2.967 1.00 7.31 C ATOM 1532 OG1 THR A 95 17.695 12.316 3.427 1.00 7.52 O ATOM 1533 CG2 THR A 95 17.613 9.913 3.545 1.00 7.21 C ATOM 0 H THR A 95 19.935 13.006 2.421 1.00 6.80 H new ATOM 0 HA THR A 95 19.804 11.049 4.521 1.00 7.13 H new ATOM 0 HB THR A 95 18.300 11.099 1.878 1.00 7.31 H new ATOM 0 HG1 THR A 95 16.762 12.322 3.127 1.00 7.52 H new ATOM 0 HG21 THR A 95 16.574 9.914 3.214 1.00 7.21 H new ATOM 0 HG22 THR A 95 18.103 9.003 3.199 1.00 7.21 H new ATOM 0 HG23 THR A 95 17.647 9.952 4.634 1.00 7.21 H new ATOM 1541 N LEU A 96 20.940 10.119 1.576 1.00 7.17 N ATOM 1542 CA LEU A 96 21.667 9.022 0.874 1.00 7.64 C ATOM 1543 C LEU A 96 22.774 9.627 0.006 1.00 8.02 C ATOM 1544 O LEU A 96 23.827 9.924 0.546 1.00 8.37 O ATOM 1545 CB LEU A 96 20.682 8.245 -0.008 1.00 7.84 C ATOM 1546 CG LEU A 96 21.378 7.024 -0.631 1.00 8.03 C ATOM 1547 CD1 LEU A 96 21.658 5.960 0.438 1.00 8.48 C ATOM 1548 CD2 LEU A 96 20.470 6.425 -1.708 1.00 8.53 C ATOM 1549 OXT LEU A 96 22.548 9.784 -1.182 1.00 8.19 O ATOM 0 H LEU A 96 20.812 10.971 1.030 1.00 7.17 H new ATOM 0 HA LEU A 96 22.109 8.344 1.604 1.00 7.64 H new ATOM 0 HB2 LEU A 96 19.827 7.922 0.586 1.00 7.84 H new ATOM 0 HB3 LEU A 96 20.297 8.894 -0.794 1.00 7.84 H new ATOM 0 HG LEU A 96 22.324 7.343 -1.068 1.00 8.03 H new ATOM 0 HD11 LEU A 96 22.151 5.103 -0.022 1.00 8.48 H new ATOM 0 HD12 LEU A 96 22.304 6.380 1.209 1.00 8.48 H new ATOM 0 HD13 LEU A 96 20.718 5.640 0.887 1.00 8.48 H new ATOM 0 HD21 LEU A 96 20.958 5.558 -2.154 1.00 8.53 H new ATOM 0 HD22 LEU A 96 19.526 6.119 -1.258 1.00 8.53 H new ATOM 0 HD23 LEU A 96 20.279 7.171 -2.479 1.00 8.53 H new TER 1561 LEU A 96