USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1037 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 115 THR OG1 : rot 94:sc= 2.29 USER MOD Set 1.2: A 137 THR OG1 : rot -82:sc= 1.16 USER MOD Set 2.1: A 120 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 130 THR OG1 : rot 180:sc= -0.0606 USER MOD Set 3.1: A 104 GLN : amide:sc= 0.707 K(o=1.4,f=-0.13) USER MOD Set 3.2: A 107 THR OG1 : rot -115:sc= 0.65 USER MOD Set 4.1: A 68 ASN : amide:sc= -0.902 X(o=-0.68,f=-0.46) USER MOD Set 4.2: A 79 THR OG1 : rot 73:sc= 0.221 USER MOD Set 5.1: A 14 LYS NZ :NH3+ -146:sc= 0.49 (180deg=0) USER MOD Set 5.2: A 18 GLN : amide:sc= -2.06! X(o=-1.6!,f=-1.2) USER MOD Single : A 4 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.029) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -76:sc= 0.312 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00338 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 31 GLN : amide:sc= -0.0144 K(o=-0.014,f=-0.88) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.0742 K(o=0.074,f=-1.8) USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -2.28! (180deg=-4.27!) USER MOD Single : A 46 THR OG1 : rot -42:sc= 0.411 USER MOD Single : A 48 ASN : amide:sc= -2.84! C(o=-2.8!,f=-9.1!) USER MOD Single : A 51 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.83) USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= -0.0565 (180deg=-0.375) USER MOD Single : A 58 SER OG : rot 101:sc= 0.118 USER MOD Single : A 60 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.49) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= -0.0652 (180deg=-0.41) USER MOD Single : A 66 TYR OH : rot -120:sc= 0.87 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 75 SER OG : rot -170:sc= 0.266 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -112:sc= -3.38! (180deg=-4.52!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 91 SER OG : rot 180:sc= -0.232 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 168:sc= 1.09 USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -4.18! C(o=-4.2!,f=-17!) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 174:sc=-0.00392 (180deg=-0.0683) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= 0.983 K(o=0.98,f=-1.1) USER MOD Single : A 132 SER OG : rot -126:sc= 0.0197 USER MOD Single : A 134 THR OG1 : rot -130:sc= -0.177 USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 138 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 139 LYS NZ :NH3+ 170:sc= -0.0221 (180deg=-0.152) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot -2:sc= -1.35! USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 3 -17.746 2.800 -6.635 1.00 1.08 N ATOM 32 CA CYS A 3 -16.772 3.649 -5.973 1.00 0.96 C ATOM 33 C CYS A 3 -15.395 3.328 -6.523 1.00 0.83 C ATOM 34 O CYS A 3 -14.812 2.291 -6.194 1.00 0.96 O ATOM 35 CB CYS A 3 -16.801 3.434 -4.461 1.00 1.25 C ATOM 36 SG CYS A 3 -15.345 4.091 -3.569 1.00 1.43 S ATOM 0 HA CYS A 3 -17.015 4.694 -6.164 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -17.699 3.902 -4.058 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -16.881 2.366 -4.261 1.00 1.25 H new ATOM 41 N GLN A 4 -14.896 4.191 -7.386 1.00 0.67 N ATOM 42 CA GLN A 4 -13.626 3.949 -8.047 1.00 0.59 C ATOM 43 C GLN A 4 -12.496 4.683 -7.339 1.00 0.54 C ATOM 44 O GLN A 4 -12.671 5.807 -6.863 1.00 0.53 O ATOM 45 CB GLN A 4 -13.704 4.363 -9.519 1.00 0.59 C ATOM 46 CG GLN A 4 -14.148 5.802 -9.737 1.00 1.45 C ATOM 47 CD GLN A 4 -14.318 6.144 -11.205 1.00 1.65 C ATOM 48 OE1 GLN A 4 -14.091 7.278 -11.621 1.00 2.29 O ATOM 49 NE2 GLN A 4 -14.731 5.170 -12.000 1.00 1.92 N ATOM 0 H GLN A 4 -15.350 5.067 -7.647 1.00 0.67 H new ATOM 0 HA GLN A 4 -13.413 2.881 -7.999 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -12.725 4.223 -9.977 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -14.396 3.698 -10.036 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -15.091 5.970 -9.217 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -13.415 6.476 -9.293 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -14.909 4.241 -11.618 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -14.871 5.348 -12.994 1.00 1.92 H new ATOM 58 N VAL A 5 -11.344 4.027 -7.257 1.00 0.56 N ATOM 59 CA VAL A 5 -10.170 4.607 -6.626 1.00 0.57 C ATOM 60 C VAL A 5 -9.045 4.761 -7.639 1.00 0.57 C ATOM 61 O VAL A 5 -8.555 3.777 -8.195 1.00 0.66 O ATOM 62 CB VAL A 5 -9.680 3.752 -5.437 1.00 0.68 C ATOM 63 CG1 VAL A 5 -8.347 4.265 -4.913 1.00 1.00 C ATOM 64 CG2 VAL A 5 -10.716 3.745 -4.325 1.00 1.51 C ATOM 0 H VAL A 5 -11.200 3.086 -7.624 1.00 0.56 H new ATOM 0 HA VAL A 5 -10.457 5.588 -6.246 1.00 0.57 H new ATOM 0 HB VAL A 5 -9.538 2.730 -5.790 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -8.023 3.647 -4.076 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.602 4.220 -5.707 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -8.460 5.297 -4.580 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -10.355 3.138 -3.495 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -10.887 4.765 -3.981 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -11.650 3.327 -4.701 1.00 1.51 H new ATOM 74 N ARG A 6 -8.645 5.998 -7.881 1.00 0.57 N ATOM 75 CA ARG A 6 -7.594 6.282 -8.845 1.00 0.64 C ATOM 76 C ARG A 6 -6.226 6.246 -8.179 1.00 0.58 C ATOM 77 O ARG A 6 -5.872 7.147 -7.418 1.00 0.65 O ATOM 78 CB ARG A 6 -7.817 7.646 -9.506 1.00 0.80 C ATOM 79 CG ARG A 6 -9.109 7.742 -10.301 1.00 1.47 C ATOM 80 CD ARG A 6 -9.175 6.695 -11.402 1.00 1.67 C ATOM 81 NE ARG A 6 -8.045 6.787 -12.327 1.00 1.92 N ATOM 82 CZ ARG A 6 -8.146 6.628 -13.646 1.00 2.75 C ATOM 83 NH1 ARG A 6 -9.330 6.453 -14.216 1.00 3.23 N ATOM 84 NH2 ARG A 6 -7.054 6.655 -14.400 1.00 3.57 N ATOM 0 H ARG A 6 -9.032 6.823 -7.423 1.00 0.57 H new ATOM 0 HA ARG A 6 -7.629 5.510 -9.614 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -7.818 8.416 -8.735 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -6.978 7.859 -10.168 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -9.959 7.617 -9.630 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -9.193 8.736 -10.740 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -9.195 5.701 -10.954 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -10.106 6.813 -11.957 1.00 1.67 H new ATOM 0 HE ARG A 6 -7.123 6.985 -11.938 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -10.174 6.439 -13.644 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -9.397 6.332 -15.227 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -6.140 6.797 -13.969 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -7.128 6.534 -15.410 1.00 3.57 H new ATOM 98 N VAL A 7 -5.473 5.190 -8.450 1.00 0.58 N ATOM 99 CA VAL A 7 -4.118 5.060 -7.936 1.00 0.57 C ATOM 100 C VAL A 7 -3.120 5.108 -9.085 1.00 0.68 C ATOM 101 O VAL A 7 -3.113 4.231 -9.949 1.00 0.85 O ATOM 102 CB VAL A 7 -3.925 3.743 -7.146 1.00 0.64 C ATOM 103 CG1 VAL A 7 -2.498 3.622 -6.625 1.00 1.20 C ATOM 104 CG2 VAL A 7 -4.921 3.652 -5.998 1.00 1.26 C ATOM 0 H VAL A 7 -5.780 4.407 -9.026 1.00 0.58 H new ATOM 0 HA VAL A 7 -3.946 5.893 -7.254 1.00 0.57 H new ATOM 0 HB VAL A 7 -4.109 2.913 -7.829 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -2.390 2.688 -6.074 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -1.802 3.631 -7.464 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -2.280 4.461 -5.964 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -4.768 2.719 -5.456 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -4.773 4.493 -5.321 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -5.936 3.679 -6.394 1.00 1.26 H new ATOM 114 N GLY A 8 -2.294 6.141 -9.101 1.00 0.77 N ATOM 115 CA GLY A 8 -1.300 6.274 -10.144 1.00 0.96 C ATOM 116 C GLY A 8 0.088 5.911 -9.656 1.00 0.75 C ATOM 117 O GLY A 8 0.262 5.528 -8.497 1.00 0.86 O ATOM 0 H GLY A 8 -2.294 6.891 -8.410 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.568 5.633 -10.984 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -1.298 7.299 -10.514 1.00 0.96 H new ATOM 121 N ASP A 9 1.080 6.028 -10.528 1.00 0.57 N ATOM 122 CA ASP A 9 2.453 5.725 -10.153 1.00 0.45 C ATOM 123 C ASP A 9 3.137 6.980 -9.625 1.00 0.50 C ATOM 124 O ASP A 9 2.842 8.095 -10.065 1.00 0.73 O ATOM 125 CB ASP A 9 3.243 5.158 -11.343 1.00 0.56 C ATOM 126 CG ASP A 9 3.671 6.219 -12.340 1.00 1.37 C ATOM 127 OD1 ASP A 9 2.852 6.600 -13.202 1.00 1.77 O ATOM 128 OD2 ASP A 9 4.835 6.671 -12.270 1.00 2.18 O ATOM 0 H ASP A 9 0.960 6.329 -11.495 1.00 0.57 H new ATOM 0 HA ASP A 9 2.431 4.967 -9.370 1.00 0.45 H new ATOM 0 HB2 ASP A 9 4.128 4.642 -10.970 1.00 0.56 H new ATOM 0 HB3 ASP A 9 2.632 4.414 -11.854 1.00 0.56 H new ATOM 133 N LEU A 10 4.031 6.797 -8.670 1.00 0.52 N ATOM 134 CA LEU A 10 4.781 7.904 -8.099 1.00 0.65 C ATOM 135 C LEU A 10 6.218 7.474 -7.846 1.00 0.49 C ATOM 136 O LEU A 10 6.474 6.331 -7.460 1.00 0.57 O ATOM 137 CB LEU A 10 4.128 8.417 -6.803 1.00 0.95 C ATOM 138 CG LEU A 10 4.042 7.421 -5.640 1.00 0.76 C ATOM 139 CD1 LEU A 10 3.836 8.165 -4.330 1.00 1.05 C ATOM 140 CD2 LEU A 10 2.903 6.435 -5.851 1.00 1.41 C ATOM 0 H LEU A 10 4.257 5.886 -8.271 1.00 0.52 H new ATOM 0 HA LEU A 10 4.776 8.728 -8.813 1.00 0.65 H new ATOM 0 HB2 LEU A 10 4.684 9.291 -6.463 1.00 0.95 H new ATOM 0 HB3 LEU A 10 3.119 8.754 -7.039 1.00 0.95 H new ATOM 0 HG LEU A 10 4.979 6.866 -5.600 1.00 0.76 H new ATOM 0 HD11 LEU A 10 3.776 7.449 -3.510 1.00 1.05 H new ATOM 0 HD12 LEU A 10 4.674 8.842 -4.160 1.00 1.05 H new ATOM 0 HD13 LEU A 10 2.910 8.739 -4.379 1.00 1.05 H new ATOM 0 HD21 LEU A 10 2.864 5.740 -5.012 1.00 1.41 H new ATOM 0 HD22 LEU A 10 1.960 6.977 -5.917 1.00 1.41 H new ATOM 0 HD23 LEU A 10 3.068 5.880 -6.775 1.00 1.41 H new ATOM 152 N THR A 11 7.151 8.377 -8.082 1.00 0.49 N ATOM 153 CA THR A 11 8.561 8.061 -7.960 1.00 0.47 C ATOM 154 C THR A 11 9.206 8.892 -6.856 1.00 0.53 C ATOM 155 O THR A 11 9.240 10.122 -6.934 1.00 0.66 O ATOM 156 CB THR A 11 9.284 8.324 -9.292 1.00 0.63 C ATOM 157 OG1 THR A 11 8.510 7.791 -10.376 1.00 1.03 O ATOM 158 CG2 THR A 11 10.666 7.693 -9.298 1.00 0.99 C ATOM 0 H THR A 11 6.956 9.339 -8.360 1.00 0.49 H new ATOM 0 HA THR A 11 8.651 7.005 -7.704 1.00 0.47 H new ATOM 0 HB THR A 11 9.396 9.402 -9.412 1.00 0.63 H new ATOM 0 HG1 THR A 11 8.972 7.962 -11.223 1.00 1.03 H new ATOM 0 HG21 THR A 11 11.154 7.895 -10.252 1.00 0.99 H new ATOM 0 HG22 THR A 11 11.262 8.115 -8.489 1.00 0.99 H new ATOM 0 HG23 THR A 11 10.575 6.616 -9.158 1.00 0.99 H new ATOM 166 N VAL A 12 9.709 8.219 -5.832 1.00 0.52 N ATOM 167 CA VAL A 12 10.339 8.892 -4.706 1.00 0.63 C ATOM 168 C VAL A 12 11.757 8.369 -4.495 1.00 0.48 C ATOM 169 O VAL A 12 12.019 7.174 -4.638 1.00 0.57 O ATOM 170 CB VAL A 12 9.514 8.714 -3.408 1.00 0.82 C ATOM 171 CG1 VAL A 12 9.394 7.247 -3.019 1.00 1.45 C ATOM 172 CG2 VAL A 12 10.105 9.531 -2.265 1.00 1.45 C ATOM 0 H VAL A 12 9.693 7.202 -5.758 1.00 0.52 H new ATOM 0 HA VAL A 12 10.381 9.956 -4.941 1.00 0.63 H new ATOM 0 HB VAL A 12 8.509 9.087 -3.607 1.00 0.82 H new ATOM 0 HG11 VAL A 12 8.809 7.160 -2.104 1.00 1.45 H new ATOM 0 HG12 VAL A 12 8.899 6.698 -3.820 1.00 1.45 H new ATOM 0 HG13 VAL A 12 10.388 6.832 -2.855 1.00 1.45 H new ATOM 0 HG21 VAL A 12 9.505 9.387 -1.366 1.00 1.45 H new ATOM 0 HG22 VAL A 12 11.127 9.205 -2.075 1.00 1.45 H new ATOM 0 HG23 VAL A 12 10.106 10.587 -2.535 1.00 1.45 H new ATOM 182 N ALA A 13 12.669 9.269 -4.174 1.00 0.44 N ATOM 183 CA ALA A 13 14.045 8.891 -3.910 1.00 0.43 C ATOM 184 C ALA A 13 14.411 9.211 -2.468 1.00 0.45 C ATOM 185 O ALA A 13 14.470 10.377 -2.077 1.00 0.57 O ATOM 186 CB ALA A 13 14.984 9.597 -4.878 1.00 0.59 C ATOM 0 H ALA A 13 12.481 10.268 -4.090 1.00 0.44 H new ATOM 0 HA ALA A 13 14.149 7.816 -4.059 1.00 0.43 H new ATOM 0 HB1 ALA A 13 16.012 9.303 -4.667 1.00 0.59 H new ATOM 0 HB2 ALA A 13 14.729 9.318 -5.901 1.00 0.59 H new ATOM 0 HB3 ALA A 13 14.884 10.676 -4.761 1.00 0.59 H new ATOM 192 N LYS A 14 14.638 8.171 -1.675 1.00 0.43 N ATOM 193 CA LYS A 14 14.967 8.341 -0.269 1.00 0.50 C ATOM 194 C LYS A 14 15.560 7.053 0.299 1.00 0.41 C ATOM 195 O LYS A 14 15.714 6.058 -0.410 1.00 0.41 O ATOM 196 CB LYS A 14 13.716 8.739 0.530 1.00 0.67 C ATOM 197 CG LYS A 14 14.017 9.602 1.748 1.00 1.47 C ATOM 198 CD LYS A 14 14.491 10.989 1.344 1.00 2.23 C ATOM 199 CE LYS A 14 13.346 11.840 0.812 1.00 2.52 C ATOM 200 NZ LYS A 14 12.494 12.379 1.907 1.00 3.42 N ATOM 0 H LYS A 14 14.600 7.200 -1.984 1.00 0.43 H new ATOM 0 HA LYS A 14 15.707 9.137 -0.184 1.00 0.50 H new ATOM 0 HB2 LYS A 14 13.033 9.278 -0.126 1.00 0.67 H new ATOM 0 HB3 LYS A 14 13.200 7.835 0.854 1.00 0.67 H new ATOM 0 HG2 LYS A 14 13.122 9.687 2.365 1.00 1.47 H new ATOM 0 HG3 LYS A 14 14.780 9.119 2.358 1.00 1.47 H new ATOM 0 HD2 LYS A 14 14.944 11.484 2.203 1.00 2.23 H new ATOM 0 HD3 LYS A 14 15.265 10.902 0.582 1.00 2.23 H new ATOM 0 HE2 LYS A 14 13.750 12.666 0.227 1.00 2.52 H new ATOM 0 HE3 LYS A 14 12.733 11.242 0.137 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 11.506 12.430 1.585 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 12.557 11.753 2.735 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 12.823 13.331 2.166 1.00 3.42 H new ATOM 214 N THR A 15 15.905 7.088 1.572 1.00 0.46 N ATOM 215 CA THR A 15 16.447 5.936 2.271 1.00 0.44 C ATOM 216 C THR A 15 15.376 5.305 3.168 1.00 0.44 C ATOM 217 O THR A 15 14.403 5.964 3.520 1.00 0.50 O ATOM 218 CB THR A 15 17.665 6.365 3.103 1.00 0.49 C ATOM 219 OG1 THR A 15 17.661 7.793 3.246 1.00 0.63 O ATOM 220 CG2 THR A 15 18.962 5.927 2.441 1.00 0.52 C ATOM 0 H THR A 15 15.817 7.921 2.155 1.00 0.46 H new ATOM 0 HA THR A 15 16.762 5.190 1.542 1.00 0.44 H new ATOM 0 HB THR A 15 17.601 5.888 4.081 1.00 0.49 H new ATOM 0 HG1 THR A 15 17.953 8.207 2.407 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.807 6.244 3.052 1.00 0.52 H new ATOM 0 HG22 THR A 15 18.972 4.841 2.343 1.00 0.52 H new ATOM 0 HG23 THR A 15 19.038 6.381 1.453 1.00 0.52 H new ATOM 228 N ARG A 16 15.539 4.030 3.538 1.00 0.40 N ATOM 229 CA ARG A 16 14.505 3.340 4.320 1.00 0.43 C ATOM 230 C ARG A 16 14.604 3.702 5.797 1.00 0.46 C ATOM 231 O ARG A 16 13.727 3.352 6.587 1.00 0.55 O ATOM 232 CB ARG A 16 14.553 1.810 4.153 1.00 0.50 C ATOM 233 CG ARG A 16 14.241 1.327 2.743 1.00 0.57 C ATOM 234 CD ARG A 16 15.464 1.390 1.845 1.00 0.68 C ATOM 235 NE ARG A 16 15.104 1.502 0.441 1.00 1.22 N ATOM 236 CZ ARG A 16 15.426 2.548 -0.316 1.00 2.43 C ATOM 237 NH1 ARG A 16 16.236 3.479 0.163 1.00 3.01 N ATOM 238 NH2 ARG A 16 14.989 2.639 -1.568 1.00 3.14 N ATOM 0 H ARG A 16 16.358 3.464 3.315 1.00 0.40 H new ATOM 0 HA ARG A 16 13.548 3.682 3.927 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.544 1.456 4.436 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.843 1.357 4.846 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.871 0.303 2.783 1.00 0.57 H new ATOM 0 HG3 ARG A 16 13.445 1.937 2.317 1.00 0.57 H new ATOM 0 HD2 ARG A 16 16.080 2.243 2.130 1.00 0.68 H new ATOM 0 HD3 ARG A 16 16.069 0.496 1.994 1.00 0.68 H new ATOM 0 HE ARG A 16 14.578 0.740 0.014 1.00 1.22 H new ATOM 0 HH11 ARG A 16 16.610 3.393 1.108 1.00 3.01 H new ATOM 0 HH12 ARG A 16 16.486 4.283 -0.413 1.00 3.01 H new ATOM 0 HH21 ARG A 16 14.401 1.903 -1.958 1.00 3.14 H new ATOM 0 HH22 ARG A 16 15.242 3.445 -2.139 1.00 3.14 H new ATOM 252 N GLY A 17 15.675 4.394 6.165 1.00 0.47 N ATOM 253 CA GLY A 17 15.792 4.919 7.513 1.00 0.58 C ATOM 254 C GLY A 17 14.873 6.108 7.717 1.00 0.61 C ATOM 255 O GLY A 17 14.602 6.521 8.843 1.00 0.75 O ATOM 0 H GLY A 17 16.465 4.601 5.554 1.00 0.47 H new ATOM 0 HA2 GLY A 17 15.547 4.138 8.233 1.00 0.58 H new ATOM 0 HA3 GLY A 17 16.823 5.216 7.703 1.00 0.58 H new ATOM 259 N GLN A 18 14.392 6.647 6.602 1.00 0.58 N ATOM 260 CA GLN A 18 13.443 7.751 6.602 1.00 0.70 C ATOM 261 C GLN A 18 12.106 7.318 7.196 1.00 0.64 C ATOM 262 O GLN A 18 11.423 8.101 7.848 1.00 0.72 O ATOM 263 CB GLN A 18 13.238 8.236 5.159 1.00 0.86 C ATOM 264 CG GLN A 18 12.083 9.210 4.962 1.00 1.02 C ATOM 265 CD GLN A 18 12.447 10.655 5.246 1.00 1.49 C ATOM 266 OE1 GLN A 18 11.897 11.567 4.631 1.00 2.00 O ATOM 267 NE2 GLN A 18 13.371 10.877 6.167 1.00 2.17 N ATOM 0 H GLN A 18 14.652 6.328 5.669 1.00 0.58 H new ATOM 0 HA GLN A 18 13.841 8.560 7.215 1.00 0.70 H new ATOM 0 HB2 GLN A 18 14.157 8.713 4.819 1.00 0.86 H new ATOM 0 HB3 GLN A 18 13.074 7.368 4.520 1.00 0.86 H new ATOM 0 HG2 GLN A 18 11.723 9.130 3.936 1.00 1.02 H new ATOM 0 HG3 GLN A 18 11.258 8.918 5.612 1.00 1.02 H new ATOM 0 HE21 GLN A 18 13.804 10.093 6.655 1.00 2.17 H new ATOM 0 HE22 GLN A 18 13.651 11.832 6.389 1.00 2.17 H new ATOM 276 N LEU A 19 11.768 6.047 7.000 1.00 0.60 N ATOM 277 CA LEU A 19 10.423 5.552 7.284 1.00 0.62 C ATOM 278 C LEU A 19 10.294 5.022 8.704 1.00 0.78 C ATOM 279 O LEU A 19 9.361 4.274 8.982 1.00 1.61 O ATOM 280 CB LEU A 19 10.066 4.420 6.321 1.00 0.62 C ATOM 281 CG LEU A 19 10.503 4.620 4.871 1.00 0.52 C ATOM 282 CD1 LEU A 19 10.157 3.398 4.035 1.00 0.92 C ATOM 283 CD2 LEU A 19 9.854 5.861 4.290 1.00 0.89 C ATOM 0 H LEU A 19 12.409 5.338 6.644 1.00 0.60 H new ATOM 0 HA LEU A 19 9.745 6.397 7.161 1.00 0.62 H new ATOM 0 HB2 LEU A 19 10.513 3.498 6.692 1.00 0.62 H new ATOM 0 HB3 LEU A 19 8.985 4.280 6.339 1.00 0.62 H new ATOM 0 HG LEU A 19 11.585 4.753 4.852 1.00 0.52 H new ATOM 0 HD11 LEU A 19 10.476 3.559 3.005 1.00 0.92 H new ATOM 0 HD12 LEU A 19 10.667 2.524 4.440 1.00 0.92 H new ATOM 0 HD13 LEU A 19 9.080 3.233 4.060 1.00 0.92 H new ATOM 0 HD21 LEU A 19 10.175 5.990 3.256 1.00 0.89 H new ATOM 0 HD22 LEU A 19 8.770 5.754 4.322 1.00 0.89 H new ATOM 0 HD23 LEU A 19 10.150 6.733 4.873 1.00 0.89 H new ATOM 295 N THR A 20 11.211 5.432 9.581 1.00 0.68 N ATOM 296 CA THR A 20 11.329 4.904 10.944 1.00 0.69 C ATOM 297 C THR A 20 9.986 4.574 11.603 1.00 0.66 C ATOM 298 O THR A 20 9.335 5.445 12.192 1.00 0.73 O ATOM 299 CB THR A 20 12.112 5.885 11.834 1.00 0.80 C ATOM 300 OG1 THR A 20 11.850 7.234 11.424 1.00 1.51 O ATOM 301 CG2 THR A 20 13.604 5.608 11.766 1.00 1.65 C ATOM 0 H THR A 20 11.903 6.150 9.363 1.00 0.68 H new ATOM 0 HA THR A 20 11.869 3.962 10.849 1.00 0.69 H new ATOM 0 HB THR A 20 11.783 5.748 12.864 1.00 0.80 H new ATOM 0 HG1 THR A 20 12.350 7.853 11.996 1.00 1.51 H new ATOM 0 HG21 THR A 20 14.135 6.315 12.404 1.00 1.65 H new ATOM 0 HG22 THR A 20 13.801 4.592 12.108 1.00 1.65 H new ATOM 0 HG23 THR A 20 13.948 5.718 10.738 1.00 1.65 H new ATOM 309 N ASP A 21 9.589 3.302 11.466 1.00 0.61 N ATOM 310 CA ASP A 21 8.354 2.752 12.044 1.00 0.61 C ATOM 311 C ASP A 21 7.106 3.301 11.352 1.00 0.58 C ATOM 312 O ASP A 21 6.250 2.534 10.905 1.00 0.73 O ATOM 313 CB ASP A 21 8.281 2.995 13.553 1.00 0.69 C ATOM 314 CG ASP A 21 9.442 2.371 14.295 1.00 1.18 C ATOM 315 OD1 ASP A 21 9.867 1.262 13.907 1.00 1.38 O ATOM 316 OD2 ASP A 21 9.921 2.978 15.279 1.00 1.83 O ATOM 0 H ASP A 21 10.127 2.613 10.941 1.00 0.61 H new ATOM 0 HA ASP A 21 8.383 1.676 11.875 1.00 0.61 H new ATOM 0 HB2 ASP A 21 8.265 4.068 13.745 1.00 0.69 H new ATOM 0 HB3 ASP A 21 7.346 2.588 13.939 1.00 0.69 H new ATOM 321 N ALA A 22 6.998 4.618 11.275 1.00 0.65 N ATOM 322 CA ALA A 22 5.900 5.255 10.571 1.00 0.68 C ATOM 323 C ALA A 22 6.258 6.681 10.162 1.00 0.62 C ATOM 324 O ALA A 22 5.875 7.650 10.822 1.00 0.72 O ATOM 325 CB ALA A 22 4.620 5.235 11.397 1.00 0.82 C ATOM 0 H ALA A 22 7.662 5.268 11.695 1.00 0.65 H new ATOM 0 HA ALA A 22 5.720 4.678 9.664 1.00 0.68 H new ATOM 0 HB1 ALA A 22 3.819 5.720 10.839 1.00 0.82 H new ATOM 0 HB2 ALA A 22 4.340 4.203 11.610 1.00 0.82 H new ATOM 0 HB3 ALA A 22 4.783 5.767 12.334 1.00 0.82 H new ATOM 331 N ALA A 23 7.030 6.790 9.092 1.00 0.59 N ATOM 332 CA ALA A 23 7.325 8.073 8.466 1.00 0.59 C ATOM 333 C ALA A 23 7.278 7.911 6.949 1.00 0.64 C ATOM 334 O ALA A 23 8.030 7.130 6.380 1.00 0.79 O ATOM 335 CB ALA A 23 8.676 8.599 8.924 1.00 0.71 C ATOM 0 H ALA A 23 7.470 5.993 8.632 1.00 0.59 H new ATOM 0 HA ALA A 23 6.576 8.805 8.767 1.00 0.59 H new ATOM 0 HB1 ALA A 23 8.875 9.557 8.444 1.00 0.71 H new ATOM 0 HB2 ALA A 23 8.668 8.730 10.006 1.00 0.71 H new ATOM 0 HB3 ALA A 23 9.455 7.887 8.651 1.00 0.71 H new ATOM 341 N PRO A 24 6.361 8.622 6.284 1.00 0.62 N ATOM 342 CA PRO A 24 6.067 8.411 4.866 1.00 0.72 C ATOM 343 C PRO A 24 7.065 9.059 3.912 1.00 0.78 C ATOM 344 O PRO A 24 7.426 10.227 4.056 1.00 1.12 O ATOM 345 CB PRO A 24 4.695 9.059 4.709 1.00 0.79 C ATOM 346 CG PRO A 24 4.689 10.161 5.713 1.00 0.75 C ATOM 347 CD PRO A 24 5.525 9.680 6.872 1.00 0.63 C ATOM 0 HA PRO A 24 6.114 7.353 4.610 1.00 0.72 H new ATOM 0 HB2 PRO A 24 4.549 9.441 3.699 1.00 0.79 H new ATOM 0 HB3 PRO A 24 3.894 8.344 4.898 1.00 0.79 H new ATOM 0 HG2 PRO A 24 5.102 11.076 5.289 1.00 0.75 H new ATOM 0 HG3 PRO A 24 3.673 10.389 6.034 1.00 0.75 H new ATOM 0 HD2 PRO A 24 6.131 10.484 7.289 1.00 0.63 H new ATOM 0 HD3 PRO A 24 4.904 9.296 7.681 1.00 0.63 H new ATOM 355 N ILE A 25 7.505 8.281 2.935 1.00 0.58 N ATOM 356 CA ILE A 25 8.273 8.810 1.815 1.00 0.64 C ATOM 357 C ILE A 25 7.349 9.503 0.827 1.00 0.59 C ATOM 358 O ILE A 25 7.521 10.681 0.509 1.00 0.95 O ATOM 359 CB ILE A 25 9.041 7.706 1.060 1.00 0.92 C ATOM 360 CG1 ILE A 25 8.327 6.355 1.199 1.00 1.73 C ATOM 361 CG2 ILE A 25 10.482 7.627 1.540 1.00 1.37 C ATOM 362 CD1 ILE A 25 8.963 5.245 0.395 1.00 2.58 C ATOM 0 H ILE A 25 7.343 7.275 2.894 1.00 0.58 H new ATOM 0 HA ILE A 25 8.992 9.513 2.234 1.00 0.64 H new ATOM 0 HB ILE A 25 9.060 7.962 0.001 1.00 0.92 H new ATOM 0 HG12 ILE A 25 8.314 6.068 2.250 1.00 1.73 H new ATOM 0 HG13 ILE A 25 7.289 6.469 0.886 1.00 1.73 H new ATOM 0 HG21 ILE A 25 11.005 6.842 0.994 1.00 1.37 H new ATOM 0 HG22 ILE A 25 10.977 8.582 1.365 1.00 1.37 H new ATOM 0 HG23 ILE A 25 10.498 7.400 2.606 1.00 1.37 H new ATOM 0 HD11 ILE A 25 8.403 4.321 0.544 1.00 2.58 H new ATOM 0 HD12 ILE A 25 8.952 5.510 -0.662 1.00 2.58 H new ATOM 0 HD13 ILE A 25 9.993 5.102 0.723 1.00 2.58 H new ATOM 374 N GLY A 26 6.367 8.757 0.350 1.00 0.62 N ATOM 375 CA GLY A 26 5.422 9.281 -0.605 1.00 0.74 C ATOM 376 C GLY A 26 4.013 8.826 -0.303 1.00 0.56 C ATOM 377 O GLY A 26 3.645 7.700 -0.632 1.00 0.65 O ATOM 0 H GLY A 26 6.208 7.784 0.613 1.00 0.62 H new ATOM 0 HA2 GLY A 26 5.462 10.370 -0.597 1.00 0.74 H new ATOM 0 HA3 GLY A 26 5.702 8.959 -1.608 1.00 0.74 H new ATOM 381 N PRO A 27 3.212 9.666 0.363 1.00 0.48 N ATOM 382 CA PRO A 27 1.813 9.353 0.642 1.00 0.44 C ATOM 383 C PRO A 27 0.984 9.323 -0.638 1.00 0.48 C ATOM 384 O PRO A 27 0.989 10.278 -1.417 1.00 0.61 O ATOM 385 CB PRO A 27 1.356 10.488 1.565 1.00 0.51 C ATOM 386 CG PRO A 27 2.309 11.606 1.321 1.00 0.66 C ATOM 387 CD PRO A 27 3.611 10.981 0.895 1.00 0.67 C ATOM 0 HA PRO A 27 1.691 8.368 1.093 1.00 0.44 H new ATOM 0 HB2 PRO A 27 0.333 10.788 1.341 1.00 0.51 H new ATOM 0 HB3 PRO A 27 1.375 10.177 2.609 1.00 0.51 H new ATOM 0 HG2 PRO A 27 1.930 12.275 0.549 1.00 0.66 H new ATOM 0 HG3 PRO A 27 2.443 12.203 2.223 1.00 0.66 H new ATOM 0 HD2 PRO A 27 4.115 11.583 0.138 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.300 10.881 1.734 1.00 0.67 H new ATOM 395 N VAL A 28 0.279 8.225 -0.848 1.00 0.45 N ATOM 396 CA VAL A 28 -0.532 8.054 -2.036 1.00 0.54 C ATOM 397 C VAL A 28 -1.842 8.800 -1.871 1.00 0.57 C ATOM 398 O VAL A 28 -2.564 8.594 -0.890 1.00 0.58 O ATOM 399 CB VAL A 28 -0.825 6.564 -2.320 1.00 0.65 C ATOM 400 CG1 VAL A 28 -1.621 6.406 -3.607 1.00 1.18 C ATOM 401 CG2 VAL A 28 0.468 5.765 -2.385 1.00 1.07 C ATOM 0 H VAL A 28 0.254 7.434 -0.204 1.00 0.45 H new ATOM 0 HA VAL A 28 0.028 8.456 -2.881 1.00 0.54 H new ATOM 0 HB VAL A 28 -1.426 6.173 -1.499 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -1.816 5.349 -3.787 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -2.567 6.939 -3.517 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -1.051 6.817 -4.440 1.00 1.18 H new ATOM 0 HG21 VAL A 28 0.239 4.718 -2.586 1.00 1.07 H new ATOM 0 HG22 VAL A 28 1.099 6.158 -3.182 1.00 1.07 H new ATOM 0 HG23 VAL A 28 0.994 5.845 -1.433 1.00 1.07 H new ATOM 411 N THR A 29 -2.130 9.683 -2.810 1.00 0.61 N ATOM 412 CA THR A 29 -3.372 10.429 -2.796 1.00 0.67 C ATOM 413 C THR A 29 -4.525 9.558 -3.291 1.00 0.65 C ATOM 414 O THR A 29 -4.987 9.686 -4.428 1.00 0.75 O ATOM 415 CB THR A 29 -3.264 11.730 -3.631 1.00 0.79 C ATOM 416 OG1 THR A 29 -4.556 12.328 -3.798 1.00 1.64 O ATOM 417 CG2 THR A 29 -2.635 11.470 -4.997 1.00 1.37 C ATOM 0 H THR A 29 -1.516 9.901 -3.595 1.00 0.61 H new ATOM 0 HA THR A 29 -3.575 10.719 -1.765 1.00 0.67 H new ATOM 0 HB THR A 29 -2.617 12.416 -3.084 1.00 0.79 H new ATOM 0 HG1 THR A 29 -4.471 13.149 -4.326 1.00 1.64 H new ATOM 0 HG21 THR A 29 -2.576 12.405 -5.554 1.00 1.37 H new ATOM 0 HG22 THR A 29 -1.633 11.062 -4.864 1.00 1.37 H new ATOM 0 HG23 THR A 29 -3.247 10.757 -5.549 1.00 1.37 H new ATOM 425 N VAL A 30 -4.962 8.643 -2.438 1.00 0.62 N ATOM 426 CA VAL A 30 -6.059 7.759 -2.775 1.00 0.61 C ATOM 427 C VAL A 30 -7.364 8.529 -2.769 1.00 0.62 C ATOM 428 O VAL A 30 -7.834 8.959 -1.723 1.00 0.87 O ATOM 429 CB VAL A 30 -6.156 6.588 -1.777 1.00 0.77 C ATOM 430 CG1 VAL A 30 -7.396 5.743 -2.029 1.00 0.76 C ATOM 431 CG2 VAL A 30 -4.903 5.730 -1.852 1.00 1.01 C ATOM 0 H VAL A 30 -4.571 8.496 -1.508 1.00 0.62 H new ATOM 0 HA VAL A 30 -5.871 7.355 -3.770 1.00 0.61 H new ATOM 0 HB VAL A 30 -6.240 7.007 -0.774 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -7.433 4.927 -1.308 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -8.286 6.362 -1.922 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -7.358 5.334 -3.039 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -4.983 4.906 -1.143 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -4.795 5.331 -2.861 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -4.031 6.337 -1.607 1.00 1.01 H new ATOM 441 N GLN A 31 -7.952 8.666 -3.936 1.00 0.49 N ATOM 442 CA GLN A 31 -9.196 9.388 -4.083 1.00 0.52 C ATOM 443 C GLN A 31 -10.290 8.441 -4.552 1.00 0.49 C ATOM 444 O GLN A 31 -10.131 7.723 -5.545 1.00 0.54 O ATOM 445 CB GLN A 31 -9.024 10.574 -5.046 1.00 0.62 C ATOM 446 CG GLN A 31 -8.631 10.189 -6.464 1.00 1.15 C ATOM 447 CD GLN A 31 -8.248 11.392 -7.307 1.00 1.59 C ATOM 448 OE1 GLN A 31 -7.695 12.368 -6.804 1.00 2.48 O ATOM 449 NE2 GLN A 31 -8.555 11.336 -8.593 1.00 1.86 N ATOM 0 H GLN A 31 -7.584 8.282 -4.806 1.00 0.49 H new ATOM 0 HA GLN A 31 -9.490 9.795 -3.116 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -9.958 11.134 -5.082 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -8.266 11.245 -4.643 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -7.794 9.492 -6.429 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -9.461 9.666 -6.939 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -9.014 10.508 -8.972 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -8.333 12.121 -9.205 1.00 1.86 H new ATOM 458 N ALA A 32 -11.379 8.418 -3.804 1.00 0.53 N ATOM 459 CA ALA A 32 -12.492 7.532 -4.094 1.00 0.54 C ATOM 460 C ALA A 32 -13.702 8.334 -4.549 1.00 0.56 C ATOM 461 O ALA A 32 -14.083 9.317 -3.903 1.00 0.70 O ATOM 462 CB ALA A 32 -12.825 6.699 -2.866 1.00 0.61 C ATOM 0 H ALA A 32 -11.516 9.009 -2.984 1.00 0.53 H new ATOM 0 HA ALA A 32 -12.209 6.858 -4.903 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -13.661 6.037 -3.091 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -11.957 6.104 -2.584 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -13.097 7.358 -2.042 1.00 0.61 H new ATOM 468 N LEU A 33 -14.293 7.919 -5.658 1.00 0.54 N ATOM 469 CA LEU A 33 -15.401 8.645 -6.258 1.00 0.64 C ATOM 470 C LEU A 33 -16.704 7.860 -6.146 1.00 0.75 C ATOM 471 O LEU A 33 -16.824 6.768 -6.703 1.00 0.84 O ATOM 472 CB LEU A 33 -15.099 8.927 -7.730 1.00 0.74 C ATOM 473 CG LEU A 33 -16.095 9.850 -8.435 1.00 1.28 C ATOM 474 CD1 LEU A 33 -16.088 11.236 -7.805 1.00 1.90 C ATOM 475 CD2 LEU A 33 -15.773 9.941 -9.917 1.00 1.94 C ATOM 0 H LEU A 33 -14.021 7.076 -6.164 1.00 0.54 H new ATOM 0 HA LEU A 33 -15.520 9.584 -5.718 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -14.105 9.369 -7.802 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -15.066 7.978 -8.266 1.00 0.74 H new ATOM 0 HG LEU A 33 -17.093 9.428 -8.319 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -16.804 11.875 -8.323 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -16.365 11.159 -6.753 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -15.091 11.668 -7.887 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -16.490 10.601 -10.405 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -14.767 10.339 -10.047 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -15.831 8.948 -10.364 1.00 1.94 H new ATOM 487 N GLY A 34 -17.663 8.422 -5.413 1.00 0.85 N ATOM 488 CA GLY A 34 -18.995 7.845 -5.329 1.00 1.06 C ATOM 489 C GLY A 34 -19.022 6.491 -4.658 1.00 0.98 C ATOM 490 O GLY A 34 -19.240 5.472 -5.311 1.00 1.81 O ATOM 0 H GLY A 34 -17.538 9.276 -4.870 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -19.644 8.527 -4.780 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -19.407 7.752 -6.334 1.00 1.06 H new ATOM 494 N CYS A 35 -18.816 6.473 -3.354 1.00 0.96 N ATOM 495 CA CYS A 35 -18.776 5.219 -2.623 1.00 0.86 C ATOM 496 C CYS A 35 -20.031 5.023 -1.784 1.00 0.96 C ATOM 497 O CYS A 35 -20.842 4.146 -2.078 1.00 1.88 O ATOM 498 CB CYS A 35 -17.534 5.172 -1.739 1.00 0.84 C ATOM 499 SG CYS A 35 -16.020 5.730 -2.581 1.00 1.18 S ATOM 0 H CYS A 35 -18.675 7.306 -2.782 1.00 0.96 H new ATOM 0 HA CYS A 35 -18.733 4.406 -3.348 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -17.701 5.793 -0.859 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -17.388 4.151 -1.385 1.00 0.84 H new ATOM 504 N ASN A 36 -20.176 5.844 -0.740 1.00 0.79 N ATOM 505 CA ASN A 36 -21.315 5.781 0.190 1.00 0.72 C ATOM 506 C ASN A 36 -21.298 4.511 1.045 1.00 0.69 C ATOM 507 O ASN A 36 -21.451 4.582 2.261 1.00 0.80 O ATOM 508 CB ASN A 36 -22.651 5.908 -0.547 1.00 0.76 C ATOM 509 CG ASN A 36 -22.875 7.300 -1.107 1.00 1.29 C ATOM 510 OD1 ASN A 36 -23.367 8.191 -0.413 1.00 1.75 O ATOM 511 ND2 ASN A 36 -22.538 7.495 -2.372 1.00 2.14 N ATOM 0 H ASN A 36 -19.504 6.577 -0.512 1.00 0.79 H new ATOM 0 HA ASN A 36 -21.209 6.633 0.862 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -22.684 5.183 -1.360 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -23.464 5.659 0.135 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -22.683 8.408 -2.804 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -22.133 6.733 -2.915 1.00 2.14 H new ATOM 518 N ALA A 37 -21.106 3.360 0.416 1.00 0.65 N ATOM 519 CA ALA A 37 -21.044 2.093 1.126 1.00 0.74 C ATOM 520 C ALA A 37 -20.039 1.161 0.460 1.00 0.70 C ATOM 521 O ALA A 37 -20.408 0.169 -0.167 1.00 0.94 O ATOM 522 CB ALA A 37 -22.419 1.444 1.189 1.00 0.93 C ATOM 0 H ALA A 37 -20.990 3.279 -0.594 1.00 0.65 H new ATOM 0 HA ALA A 37 -20.713 2.285 2.147 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -22.350 0.497 1.724 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -23.110 2.106 1.710 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -22.783 1.263 0.177 1.00 0.93 H new ATOM 528 N ARG A 38 -18.764 1.500 0.581 1.00 0.59 N ATOM 529 CA ARG A 38 -17.705 0.729 -0.055 1.00 0.61 C ATOM 530 C ARG A 38 -16.417 0.811 0.761 1.00 0.50 C ATOM 531 O ARG A 38 -15.994 1.896 1.159 1.00 0.50 O ATOM 532 CB ARG A 38 -17.485 1.260 -1.477 1.00 0.71 C ATOM 533 CG ARG A 38 -16.540 0.428 -2.337 1.00 0.98 C ATOM 534 CD ARG A 38 -15.097 0.887 -2.211 1.00 2.02 C ATOM 535 NE ARG A 38 -14.458 1.065 -3.517 1.00 2.78 N ATOM 536 CZ ARG A 38 -13.150 0.979 -3.727 1.00 3.70 C ATOM 537 NH1 ARG A 38 -12.337 0.652 -2.731 1.00 4.05 N ATOM 538 NH2 ARG A 38 -12.660 1.194 -4.940 1.00 4.64 N ATOM 0 H ARG A 38 -18.437 2.305 1.115 1.00 0.59 H new ATOM 0 HA ARG A 38 -17.998 -0.320 -0.105 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -18.450 1.321 -1.979 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -17.094 2.276 -1.413 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -16.613 -0.620 -2.045 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -16.850 0.491 -3.380 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -15.063 1.827 -1.660 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -14.534 0.157 -1.629 1.00 2.02 H new ATOM 0 HE ARG A 38 -15.057 1.268 -4.317 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -12.717 0.466 -1.803 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -11.332 0.586 -2.894 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -13.288 1.425 -5.710 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -11.655 1.128 -5.103 1.00 4.64 H new ATOM 552 N GLN A 39 -15.798 -0.328 1.010 1.00 0.48 N ATOM 553 CA GLN A 39 -14.547 -0.361 1.744 1.00 0.42 C ATOM 554 C GLN A 39 -13.377 -0.136 0.794 1.00 0.42 C ATOM 555 O GLN A 39 -13.227 -0.837 -0.209 1.00 0.62 O ATOM 556 CB GLN A 39 -14.399 -1.687 2.495 1.00 0.47 C ATOM 557 CG GLN A 39 -15.382 -1.829 3.649 1.00 0.64 C ATOM 558 CD GLN A 39 -15.323 -3.184 4.330 1.00 0.87 C ATOM 559 OE1 GLN A 39 -15.024 -4.200 3.706 1.00 1.75 O ATOM 560 NE2 GLN A 39 -15.605 -3.205 5.625 1.00 1.40 N ATOM 0 H GLN A 39 -16.141 -1.242 0.715 1.00 0.48 H new ATOM 0 HA GLN A 39 -14.550 0.442 2.481 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -14.544 -2.512 1.797 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.382 -1.770 2.879 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -15.180 -1.052 4.386 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -16.393 -1.661 3.278 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -15.849 -2.340 6.108 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -15.578 -4.086 6.139 1.00 1.40 H new ATOM 569 N VAL A 40 -12.567 0.868 1.095 1.00 0.36 N ATOM 570 CA VAL A 40 -11.442 1.210 0.238 1.00 0.38 C ATOM 571 C VAL A 40 -10.182 0.538 0.746 1.00 0.35 C ATOM 572 O VAL A 40 -9.672 0.894 1.802 1.00 0.41 O ATOM 573 CB VAL A 40 -11.222 2.737 0.147 1.00 0.44 C ATOM 574 CG1 VAL A 40 -9.952 3.063 -0.626 1.00 0.49 C ATOM 575 CG2 VAL A 40 -12.417 3.406 -0.510 1.00 0.54 C ATOM 0 H VAL A 40 -12.667 1.457 1.922 1.00 0.36 H new ATOM 0 HA VAL A 40 -11.674 0.851 -0.765 1.00 0.38 H new ATOM 0 HB VAL A 40 -11.113 3.121 1.161 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -9.823 4.144 -0.674 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.095 2.617 -0.122 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -10.028 2.661 -1.636 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.246 4.481 -0.567 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -12.551 3.006 -1.515 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.313 3.211 0.080 1.00 0.54 H new ATOM 585 N ALA A 41 -9.698 -0.436 -0.011 1.00 0.29 N ATOM 586 CA ALA A 41 -8.557 -1.225 0.394 1.00 0.28 C ATOM 587 C ALA A 41 -7.404 -1.051 -0.574 1.00 0.26 C ATOM 588 O ALA A 41 -7.613 -0.915 -1.780 1.00 0.35 O ATOM 589 CB ALA A 41 -8.938 -2.694 0.475 1.00 0.36 C ATOM 0 H ALA A 41 -10.087 -0.696 -0.917 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.240 -0.878 1.377 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.070 -3.279 0.781 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -9.738 -2.823 1.204 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.279 -3.036 -0.502 1.00 0.36 H new ATOM 595 N LEU A 42 -6.199 -1.061 -0.047 1.00 0.27 N ATOM 596 CA LEU A 42 -5.012 -1.056 -0.878 1.00 0.31 C ATOM 597 C LEU A 42 -4.409 -2.445 -0.906 1.00 0.31 C ATOM 598 O LEU A 42 -4.218 -3.067 0.135 1.00 0.48 O ATOM 599 CB LEU A 42 -3.985 -0.059 -0.355 1.00 0.39 C ATOM 600 CG LEU A 42 -4.504 1.365 -0.187 1.00 0.52 C ATOM 601 CD1 LEU A 42 -3.392 2.277 0.299 1.00 0.80 C ATOM 602 CD2 LEU A 42 -5.087 1.885 -1.493 1.00 0.84 C ATOM 0 H LEU A 42 -6.014 -1.073 0.956 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.296 -0.757 -1.887 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -3.615 -0.412 0.608 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.135 -0.043 -1.037 1.00 0.39 H new ATOM 0 HG LEU A 42 -5.298 1.355 0.559 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -3.777 3.290 0.414 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -3.021 1.918 1.259 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -2.579 2.278 -0.427 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -5.451 2.902 -1.349 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -4.316 1.881 -2.263 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -5.913 1.245 -1.803 1.00 0.84 H new ATOM 614 N LYS A 43 -4.148 -2.939 -2.101 1.00 0.34 N ATOM 615 CA LYS A 43 -3.572 -4.260 -2.270 1.00 0.37 C ATOM 616 C LYS A 43 -2.257 -4.129 -2.995 1.00 0.38 C ATOM 617 O LYS A 43 -2.060 -3.187 -3.758 1.00 0.53 O ATOM 618 CB LYS A 43 -4.493 -5.189 -3.076 1.00 0.42 C ATOM 619 CG LYS A 43 -5.940 -5.190 -2.617 1.00 0.49 C ATOM 620 CD LYS A 43 -6.695 -3.999 -3.185 1.00 1.00 C ATOM 621 CE LYS A 43 -8.070 -3.858 -2.568 1.00 1.29 C ATOM 622 NZ LYS A 43 -8.916 -5.044 -2.817 1.00 1.93 N ATOM 0 H LYS A 43 -4.327 -2.442 -2.974 1.00 0.34 H new ATOM 0 HA LYS A 43 -3.434 -4.697 -1.281 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -4.458 -4.895 -4.125 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -4.105 -6.206 -3.017 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.424 -6.115 -2.931 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -5.979 -5.164 -1.528 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -6.123 -3.088 -3.009 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -6.791 -4.111 -4.265 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -7.971 -3.703 -1.494 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -8.560 -2.973 -2.973 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -9.909 -4.749 -2.908 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -8.611 -5.510 -3.695 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -8.824 -5.709 -2.023 1.00 1.93 H new ATOM 636 N ALA A 44 -1.358 -5.050 -2.758 1.00 0.36 N ATOM 637 CA ALA A 44 -0.101 -5.053 -3.467 1.00 0.37 C ATOM 638 C ALA A 44 -0.203 -5.930 -4.704 1.00 0.34 C ATOM 639 O ALA A 44 -1.089 -6.785 -4.803 1.00 0.36 O ATOM 640 CB ALA A 44 1.010 -5.520 -2.551 1.00 0.41 C ATOM 0 H ALA A 44 -1.471 -5.806 -2.082 1.00 0.36 H new ATOM 0 HA ALA A 44 0.133 -4.039 -3.791 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.955 -5.519 -3.095 1.00 0.41 H new ATOM 0 HB2 ALA A 44 1.083 -4.848 -1.696 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.794 -6.530 -2.202 1.00 0.41 H new ATOM 646 N ASP A 45 0.684 -5.703 -5.651 1.00 0.36 N ATOM 647 CA ASP A 45 0.704 -6.487 -6.871 1.00 0.39 C ATOM 648 C ASP A 45 1.565 -7.721 -6.640 1.00 0.37 C ATOM 649 O ASP A 45 2.250 -7.806 -5.627 1.00 0.35 O ATOM 650 CB ASP A 45 1.234 -5.647 -8.040 1.00 0.45 C ATOM 651 CG ASP A 45 1.005 -6.302 -9.391 1.00 0.57 C ATOM 652 OD1 ASP A 45 1.875 -7.078 -9.838 1.00 0.64 O ATOM 653 OD2 ASP A 45 -0.044 -6.041 -10.017 1.00 0.71 O ATOM 0 H ASP A 45 1.402 -4.981 -5.600 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.307 -6.800 -7.131 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.749 -4.671 -8.028 1.00 0.45 H new ATOM 0 HB3 ASP A 45 2.301 -5.474 -7.902 1.00 0.45 H new ATOM 658 N THR A 46 1.548 -8.667 -7.565 1.00 0.47 N ATOM 659 CA THR A 46 2.221 -9.947 -7.365 1.00 0.55 C ATOM 660 C THR A 46 3.748 -9.786 -7.271 1.00 0.47 C ATOM 661 O THR A 46 4.474 -10.758 -7.049 1.00 0.56 O ATOM 662 CB THR A 46 1.857 -10.940 -8.494 1.00 0.76 C ATOM 663 OG1 THR A 46 2.376 -12.249 -8.211 1.00 1.40 O ATOM 664 CG2 THR A 46 2.389 -10.461 -9.835 1.00 0.99 C ATOM 0 H THR A 46 1.076 -8.575 -8.464 1.00 0.47 H new ATOM 0 HA THR A 46 1.871 -10.348 -6.414 1.00 0.55 H new ATOM 0 HB THR A 46 0.769 -10.992 -8.545 1.00 0.76 H new ATOM 0 HG1 THR A 46 3.286 -12.170 -7.857 1.00 1.40 H new ATOM 0 HG21 THR A 46 2.119 -11.178 -10.611 1.00 0.99 H new ATOM 0 HG22 THR A 46 1.956 -9.489 -10.072 1.00 0.99 H new ATOM 0 HG23 THR A 46 3.474 -10.372 -9.785 1.00 0.99 H new ATOM 672 N ASP A 47 4.229 -8.558 -7.421 1.00 0.42 N ATOM 673 CA ASP A 47 5.651 -8.279 -7.311 1.00 0.50 C ATOM 674 C ASP A 47 6.045 -7.967 -5.866 1.00 0.43 C ATOM 675 O ASP A 47 7.189 -8.193 -5.472 1.00 0.47 O ATOM 676 CB ASP A 47 6.078 -7.137 -8.256 1.00 0.66 C ATOM 677 CG ASP A 47 5.241 -5.869 -8.141 1.00 1.42 C ATOM 678 OD1 ASP A 47 4.424 -5.782 -7.195 1.00 2.22 O ATOM 679 OD2 ASP A 47 5.401 -4.955 -8.964 1.00 1.72 O ATOM 0 H ASP A 47 3.653 -7.740 -7.619 1.00 0.42 H new ATOM 0 HA ASP A 47 6.183 -9.180 -7.618 1.00 0.50 H new ATOM 0 HB2 ASP A 47 7.120 -6.888 -8.055 1.00 0.66 H new ATOM 0 HB3 ASP A 47 6.029 -7.497 -9.284 1.00 0.66 H new ATOM 684 N ASN A 48 5.102 -7.468 -5.073 1.00 0.38 N ATOM 685 CA ASN A 48 5.372 -7.167 -3.666 1.00 0.39 C ATOM 686 C ASN A 48 4.288 -7.737 -2.747 1.00 0.37 C ATOM 687 O ASN A 48 4.232 -7.409 -1.560 1.00 0.42 O ATOM 688 CB ASN A 48 5.506 -5.653 -3.444 1.00 0.50 C ATOM 689 CG ASN A 48 4.220 -4.886 -3.703 1.00 0.65 C ATOM 690 OD1 ASN A 48 3.410 -5.260 -4.543 1.00 1.35 O ATOM 691 ND2 ASN A 48 4.023 -3.802 -2.971 1.00 1.19 N ATOM 0 H ASN A 48 4.149 -7.264 -5.375 1.00 0.38 H new ATOM 0 HA ASN A 48 6.318 -7.646 -3.412 1.00 0.39 H new ATOM 0 HB2 ASN A 48 5.828 -5.471 -2.419 1.00 0.50 H new ATOM 0 HB3 ASN A 48 6.288 -5.266 -4.097 1.00 0.50 H new ATOM 0 HD21 ASN A 48 3.175 -3.249 -3.097 1.00 1.19 H new ATOM 0 HD22 ASN A 48 4.719 -3.520 -2.280 1.00 1.19 H new ATOM 698 N PHE A 49 3.443 -8.598 -3.296 1.00 0.35 N ATOM 699 CA PHE A 49 2.377 -9.243 -2.533 1.00 0.36 C ATOM 700 C PHE A 49 2.640 -10.742 -2.457 1.00 0.38 C ATOM 701 O PHE A 49 2.390 -11.471 -3.418 1.00 0.39 O ATOM 702 CB PHE A 49 1.030 -8.973 -3.221 1.00 0.38 C ATOM 703 CG PHE A 49 -0.212 -9.368 -2.461 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.759 -8.530 -1.499 1.00 0.39 C ATOM 705 CD2 PHE A 49 -0.869 -10.550 -2.758 1.00 0.51 C ATOM 706 CE1 PHE A 49 -1.931 -8.866 -0.854 1.00 0.42 C ATOM 707 CE2 PHE A 49 -2.039 -10.896 -2.107 1.00 0.56 C ATOM 708 CZ PHE A 49 -2.572 -10.049 -1.154 1.00 0.46 C ATOM 0 H PHE A 49 3.474 -8.870 -4.279 1.00 0.35 H new ATOM 0 HA PHE A 49 2.349 -8.840 -1.521 1.00 0.36 H new ATOM 0 HB2 PHE A 49 0.969 -7.907 -3.442 1.00 0.38 H new ATOM 0 HB3 PHE A 49 1.025 -9.498 -4.176 1.00 0.38 H new ATOM 0 HD1 PHE A 49 -0.261 -7.604 -1.253 1.00 0.39 H new ATOM 0 HD2 PHE A 49 -0.462 -11.211 -3.509 1.00 0.51 H new ATOM 0 HE1 PHE A 49 -2.347 -8.201 -0.112 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.535 -11.826 -2.343 1.00 0.56 H new ATOM 0 HZ PHE A 49 -3.488 -10.313 -0.646 1.00 0.46 H new ATOM 718 N GLU A 50 3.153 -11.201 -1.326 1.00 0.44 N ATOM 719 CA GLU A 50 3.437 -12.619 -1.153 1.00 0.52 C ATOM 720 C GLU A 50 2.272 -13.313 -0.452 1.00 0.52 C ATOM 721 O GLU A 50 2.184 -13.315 0.779 1.00 0.54 O ATOM 722 CB GLU A 50 4.748 -12.836 -0.381 1.00 0.65 C ATOM 723 CG GLU A 50 4.815 -12.108 0.953 1.00 1.22 C ATOM 724 CD GLU A 50 5.955 -12.583 1.831 1.00 1.82 C ATOM 725 OE1 GLU A 50 5.949 -13.768 2.229 1.00 2.15 O ATOM 726 OE2 GLU A 50 6.854 -11.780 2.142 1.00 2.41 O ATOM 0 H GLU A 50 3.380 -10.619 -0.520 1.00 0.44 H new ATOM 0 HA GLU A 50 3.560 -13.062 -2.141 1.00 0.52 H new ATOM 0 HB2 GLU A 50 4.881 -13.904 -0.206 1.00 0.65 H new ATOM 0 HB3 GLU A 50 5.581 -12.508 -1.003 1.00 0.65 H new ATOM 0 HG2 GLU A 50 4.925 -11.039 0.772 1.00 1.22 H new ATOM 0 HG3 GLU A 50 3.873 -12.246 1.484 1.00 1.22 H new ATOM 733 N GLN A 51 1.368 -13.873 -1.260 1.00 0.63 N ATOM 734 CA GLN A 51 0.179 -14.597 -0.779 1.00 0.76 C ATOM 735 C GLN A 51 -0.832 -13.660 -0.105 1.00 0.72 C ATOM 736 O GLN A 51 -2.020 -13.680 -0.427 1.00 1.07 O ATOM 737 CB GLN A 51 0.568 -15.732 0.177 1.00 0.87 C ATOM 738 CG GLN A 51 1.566 -16.716 -0.418 1.00 1.71 C ATOM 739 CD GLN A 51 1.102 -17.301 -1.739 1.00 2.56 C ATOM 740 OE1 GLN A 51 -0.095 -17.458 -1.984 1.00 2.92 O ATOM 741 NE2 GLN A 51 2.049 -17.636 -2.601 1.00 3.43 N ATOM 0 H GLN A 51 1.438 -13.839 -2.277 1.00 0.63 H new ATOM 0 HA GLN A 51 -0.301 -15.029 -1.657 1.00 0.76 H new ATOM 0 HB2 GLN A 51 0.992 -15.302 1.085 1.00 0.87 H new ATOM 0 HB3 GLN A 51 -0.332 -16.273 0.470 1.00 0.87 H new ATOM 0 HG2 GLN A 51 2.522 -16.213 -0.565 1.00 1.71 H new ATOM 0 HG3 GLN A 51 1.738 -17.525 0.292 1.00 1.71 H new ATOM 0 HE21 GLN A 51 3.030 -17.491 -2.363 1.00 3.43 H new ATOM 0 HE22 GLN A 51 1.798 -18.039 -3.504 1.00 3.43 H new ATOM 750 N GLY A 52 -0.356 -12.857 0.836 1.00 0.56 N ATOM 751 CA GLY A 52 -1.202 -11.905 1.523 1.00 0.52 C ATOM 752 C GLY A 52 -0.386 -10.984 2.403 1.00 0.48 C ATOM 753 O GLY A 52 -0.803 -10.621 3.501 1.00 0.52 O ATOM 0 H GLY A 52 0.618 -12.850 1.139 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -1.759 -11.317 0.794 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -1.935 -12.437 2.130 1.00 0.52 H new ATOM 757 N LYS A 53 0.798 -10.631 1.919 1.00 0.47 N ATOM 758 CA LYS A 53 1.711 -9.755 2.640 1.00 0.47 C ATOM 759 C LYS A 53 2.320 -8.763 1.661 1.00 0.42 C ATOM 760 O LYS A 53 2.733 -9.157 0.572 1.00 0.41 O ATOM 761 CB LYS A 53 2.837 -10.572 3.280 1.00 0.53 C ATOM 762 CG LYS A 53 2.362 -11.734 4.141 1.00 1.01 C ATOM 763 CD LYS A 53 1.910 -11.272 5.514 1.00 0.65 C ATOM 764 CE LYS A 53 3.092 -10.851 6.377 1.00 1.27 C ATOM 765 NZ LYS A 53 4.006 -11.989 6.671 1.00 2.12 N ATOM 0 H LYS A 53 1.152 -10.944 1.015 1.00 0.47 H new ATOM 0 HA LYS A 53 1.160 -9.232 3.421 1.00 0.47 H new ATOM 0 HB2 LYS A 53 3.481 -10.960 2.491 1.00 0.53 H new ATOM 0 HB3 LYS A 53 3.448 -9.908 3.892 1.00 0.53 H new ATOM 0 HG2 LYS A 53 1.539 -12.244 3.640 1.00 1.01 H new ATOM 0 HG3 LYS A 53 3.168 -12.459 4.249 1.00 1.01 H new ATOM 0 HD2 LYS A 53 1.219 -10.436 5.409 1.00 0.65 H new ATOM 0 HD3 LYS A 53 1.365 -12.076 6.009 1.00 0.65 H new ATOM 0 HE2 LYS A 53 3.648 -10.062 5.870 1.00 1.27 H new ATOM 0 HE3 LYS A 53 2.725 -10.431 7.313 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 4.596 -11.756 7.495 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 3.445 -12.841 6.876 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 4.616 -12.166 5.847 1.00 2.12 H new ATOM 779 N PHE A 54 2.377 -7.491 2.029 1.00 0.44 N ATOM 780 CA PHE A 54 2.997 -6.497 1.165 1.00 0.41 C ATOM 781 C PHE A 54 4.209 -5.841 1.815 1.00 0.39 C ATOM 782 O PHE A 54 4.285 -5.696 3.038 1.00 0.44 O ATOM 783 CB PHE A 54 1.989 -5.447 0.666 1.00 0.43 C ATOM 784 CG PHE A 54 1.035 -4.865 1.683 1.00 0.44 C ATOM 785 CD1 PHE A 54 1.472 -4.645 2.982 1.00 0.53 C ATOM 786 CD2 PHE A 54 -0.281 -4.562 1.368 1.00 0.41 C ATOM 787 CE1 PHE A 54 0.622 -4.131 3.942 1.00 0.56 C ATOM 788 CE2 PHE A 54 -1.137 -4.049 2.327 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.763 -3.755 3.495 1.00 0.51 C ATOM 0 H PHE A 54 2.007 -7.127 2.907 1.00 0.44 H new ATOM 0 HA PHE A 54 3.356 -7.038 0.290 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.550 -4.625 0.221 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.398 -5.898 -0.131 1.00 0.43 H new ATOM 0 HD1 PHE A 54 2.493 -4.879 3.246 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.642 -4.728 0.364 1.00 0.41 H new ATOM 0 HE1 PHE A 54 0.938 -4.005 4.967 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -2.173 -3.893 2.063 1.00 0.44 H new ATOM 0 HZ PHE A 54 -1.431 -3.238 4.168 1.00 0.51 H new ATOM 799 N PHE A 55 5.163 -5.464 0.972 1.00 0.37 N ATOM 800 CA PHE A 55 6.441 -4.931 1.420 1.00 0.36 C ATOM 801 C PHE A 55 7.087 -4.074 0.339 1.00 0.42 C ATOM 802 O PHE A 55 6.563 -3.940 -0.768 1.00 0.55 O ATOM 803 CB PHE A 55 7.399 -6.079 1.776 1.00 0.36 C ATOM 804 CG PHE A 55 7.348 -7.220 0.800 1.00 0.39 C ATOM 805 CD1 PHE A 55 8.021 -7.141 -0.407 1.00 0.41 C ATOM 806 CD2 PHE A 55 6.643 -8.376 1.094 1.00 0.53 C ATOM 807 CE1 PHE A 55 7.991 -8.190 -1.302 1.00 0.48 C ATOM 808 CE2 PHE A 55 6.607 -9.428 0.199 1.00 0.59 C ATOM 809 CZ PHE A 55 7.227 -9.325 -1.009 1.00 0.54 C ATOM 0 H PHE A 55 5.071 -5.520 -0.042 1.00 0.37 H new ATOM 0 HA PHE A 55 6.252 -4.315 2.299 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.417 -5.693 1.820 1.00 0.36 H new ATOM 0 HB3 PHE A 55 7.156 -6.450 2.772 1.00 0.36 H new ATOM 0 HD1 PHE A 55 8.576 -6.247 -0.651 1.00 0.41 H new ATOM 0 HD2 PHE A 55 6.116 -8.456 2.033 1.00 0.53 H new ATOM 0 HE1 PHE A 55 8.553 -8.136 -2.222 1.00 0.48 H new ATOM 0 HE2 PHE A 55 6.084 -10.337 0.459 1.00 0.59 H new ATOM 0 HZ PHE A 55 7.129 -10.116 -1.738 1.00 0.54 H new ATOM 819 N LEU A 56 8.225 -3.496 0.684 1.00 0.37 N ATOM 820 CA LEU A 56 9.090 -2.851 -0.283 1.00 0.44 C ATOM 821 C LEU A 56 10.060 -3.889 -0.825 1.00 0.44 C ATOM 822 O LEU A 56 10.922 -4.368 -0.089 1.00 0.53 O ATOM 823 CB LEU A 56 9.890 -1.713 0.368 1.00 0.53 C ATOM 824 CG LEU A 56 9.095 -0.738 1.232 1.00 0.81 C ATOM 825 CD1 LEU A 56 10.036 0.173 2.007 1.00 1.53 C ATOM 826 CD2 LEU A 56 8.152 0.086 0.377 1.00 1.27 C ATOM 0 H LEU A 56 8.573 -3.462 1.642 1.00 0.37 H new ATOM 0 HA LEU A 56 8.479 -2.430 -1.082 1.00 0.44 H new ATOM 0 HB2 LEU A 56 10.675 -2.154 0.983 1.00 0.53 H new ATOM 0 HB3 LEU A 56 10.384 -1.147 -0.421 1.00 0.53 H new ATOM 0 HG LEU A 56 8.503 -1.314 1.943 1.00 0.81 H new ATOM 0 HD11 LEU A 56 9.454 0.862 2.618 1.00 1.53 H new ATOM 0 HD12 LEU A 56 10.678 -0.429 2.650 1.00 1.53 H new ATOM 0 HD13 LEU A 56 10.652 0.739 1.308 1.00 1.53 H new ATOM 0 HD21 LEU A 56 7.594 0.775 1.011 1.00 1.27 H new ATOM 0 HD22 LEU A 56 8.726 0.652 -0.356 1.00 1.27 H new ATOM 0 HD23 LEU A 56 7.457 -0.576 -0.139 1.00 1.27 H new ATOM 838 N ILE A 57 9.915 -4.257 -2.087 1.00 0.42 N ATOM 839 CA ILE A 57 10.826 -5.213 -2.698 1.00 0.45 C ATOM 840 C ILE A 57 11.748 -4.492 -3.676 1.00 0.46 C ATOM 841 O ILE A 57 11.319 -3.596 -4.402 1.00 0.52 O ATOM 842 CB ILE A 57 10.066 -6.358 -3.415 1.00 0.53 C ATOM 843 CG1 ILE A 57 11.043 -7.387 -3.999 1.00 0.57 C ATOM 844 CG2 ILE A 57 9.157 -5.812 -4.503 1.00 0.62 C ATOM 845 CD1 ILE A 57 11.843 -8.134 -2.949 1.00 0.57 C ATOM 0 H ILE A 57 9.181 -3.912 -2.705 1.00 0.42 H new ATOM 0 HA ILE A 57 11.420 -5.667 -1.905 1.00 0.45 H new ATOM 0 HB ILE A 57 9.446 -6.859 -2.672 1.00 0.53 H new ATOM 0 HG12 ILE A 57 10.484 -8.107 -4.597 1.00 0.57 H new ATOM 0 HG13 ILE A 57 11.732 -6.879 -4.674 1.00 0.57 H new ATOM 0 HG21 ILE A 57 8.636 -6.637 -4.990 1.00 0.62 H new ATOM 0 HG22 ILE A 57 8.428 -5.133 -4.061 1.00 0.62 H new ATOM 0 HG23 ILE A 57 9.754 -5.274 -5.240 1.00 0.62 H new ATOM 0 HD11 ILE A 57 12.511 -8.843 -3.437 1.00 0.57 H new ATOM 0 HD12 ILE A 57 12.430 -7.424 -2.366 1.00 0.57 H new ATOM 0 HD13 ILE A 57 11.163 -8.672 -2.288 1.00 0.57 H new ATOM 857 N SER A 58 13.018 -4.861 -3.672 1.00 0.52 N ATOM 858 CA SER A 58 14.002 -4.176 -4.489 1.00 0.62 C ATOM 859 C SER A 58 14.327 -5.000 -5.732 1.00 0.72 C ATOM 860 O SER A 58 14.217 -6.226 -5.717 1.00 0.77 O ATOM 861 CB SER A 58 15.269 -3.914 -3.670 1.00 0.78 C ATOM 862 OG SER A 58 16.013 -2.833 -4.205 1.00 1.44 O ATOM 0 H SER A 58 13.390 -5.629 -3.113 1.00 0.52 H new ATOM 0 HA SER A 58 13.590 -3.220 -4.812 1.00 0.62 H new ATOM 0 HB2 SER A 58 14.998 -3.696 -2.637 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.887 -4.812 -3.655 1.00 0.78 H new ATOM 0 HG SER A 58 15.848 -2.027 -3.672 1.00 1.44 H new ATOM 868 N ASP A 59 14.732 -4.302 -6.788 1.00 0.97 N ATOM 869 CA ASP A 59 15.014 -4.903 -8.098 1.00 1.18 C ATOM 870 C ASP A 59 15.922 -6.130 -8.010 1.00 1.20 C ATOM 871 O ASP A 59 15.676 -7.135 -8.678 1.00 1.34 O ATOM 872 CB ASP A 59 15.654 -3.854 -9.015 1.00 1.57 C ATOM 873 CG ASP A 59 16.263 -4.454 -10.270 1.00 1.80 C ATOM 874 OD1 ASP A 59 15.531 -4.654 -11.262 1.00 2.17 O ATOM 875 OD2 ASP A 59 17.485 -4.715 -10.273 1.00 2.31 O ATOM 0 H ASP A 59 14.877 -3.293 -6.764 1.00 0.97 H new ATOM 0 HA ASP A 59 14.062 -5.241 -8.507 1.00 1.18 H new ATOM 0 HB2 ASP A 59 14.900 -3.120 -9.299 1.00 1.57 H new ATOM 0 HB3 ASP A 59 16.427 -3.320 -8.462 1.00 1.57 H new ATOM 880 N ASN A 60 16.958 -6.050 -7.185 1.00 1.26 N ATOM 881 CA ASN A 60 17.939 -7.130 -7.079 1.00 1.52 C ATOM 882 C ASN A 60 17.317 -8.405 -6.510 1.00 1.40 C ATOM 883 O ASN A 60 17.826 -9.503 -6.741 1.00 1.74 O ATOM 884 CB ASN A 60 19.125 -6.693 -6.212 1.00 1.82 C ATOM 885 CG ASN A 60 20.199 -7.761 -6.107 1.00 2.52 C ATOM 886 OD1 ASN A 60 20.210 -8.560 -5.171 1.00 3.09 O ATOM 887 ND2 ASN A 60 21.103 -7.782 -7.072 1.00 3.05 N ATOM 0 H ASN A 60 17.143 -5.251 -6.579 1.00 1.26 H new ATOM 0 HA ASN A 60 18.293 -7.350 -8.086 1.00 1.52 H new ATOM 0 HB2 ASN A 60 19.561 -5.785 -6.630 1.00 1.82 H new ATOM 0 HB3 ASN A 60 18.767 -6.444 -5.213 1.00 1.82 H new ATOM 0 HD21 ASN A 60 21.847 -8.480 -7.059 1.00 3.05 H new ATOM 0 HD22 ASN A 60 21.056 -7.101 -7.829 1.00 3.05 H new ATOM 894 N ASN A 61 16.198 -8.252 -5.801 1.00 1.11 N ATOM 895 CA ASN A 61 15.537 -9.368 -5.128 1.00 1.06 C ATOM 896 C ASN A 61 16.455 -9.945 -4.051 1.00 1.11 C ATOM 897 O ASN A 61 17.199 -10.900 -4.286 1.00 1.55 O ATOM 898 CB ASN A 61 15.119 -10.455 -6.132 1.00 1.29 C ATOM 899 CG ASN A 61 14.286 -11.555 -5.500 1.00 1.85 C ATOM 900 OD1 ASN A 61 14.819 -12.534 -4.980 1.00 2.62 O ATOM 901 ND2 ASN A 61 12.972 -11.408 -5.556 1.00 2.37 N ATOM 0 H ASN A 61 15.727 -7.356 -5.678 1.00 1.11 H new ATOM 0 HA ASN A 61 14.629 -8.995 -4.653 1.00 1.06 H new ATOM 0 HB2 ASN A 61 14.551 -9.996 -6.941 1.00 1.29 H new ATOM 0 HB3 ASN A 61 16.012 -10.893 -6.578 1.00 1.29 H new ATOM 0 HD21 ASN A 61 12.362 -12.122 -5.159 1.00 2.37 H new ATOM 0 HD22 ASN A 61 12.570 -10.581 -5.996 1.00 2.37 H new ATOM 908 N ARG A 62 16.423 -9.333 -2.876 1.00 0.98 N ATOM 909 CA ARG A 62 17.309 -9.721 -1.783 1.00 1.06 C ATOM 910 C ARG A 62 16.708 -9.353 -0.437 1.00 0.90 C ATOM 911 O ARG A 62 16.801 -10.114 0.524 1.00 1.01 O ATOM 912 CB ARG A 62 18.679 -9.050 -1.926 1.00 1.27 C ATOM 913 CG ARG A 62 18.606 -7.559 -2.212 1.00 1.79 C ATOM 914 CD ARG A 62 19.928 -6.874 -1.924 1.00 2.44 C ATOM 915 NE ARG A 62 20.198 -6.810 -0.489 1.00 3.13 N ATOM 916 CZ ARG A 62 21.409 -6.851 0.046 1.00 3.67 C ATOM 917 NH1 ARG A 62 22.473 -7.072 -0.715 1.00 3.55 N ATOM 918 NH2 ARG A 62 21.545 -6.708 1.356 1.00 4.66 N ATOM 0 H ARG A 62 15.792 -8.563 -2.653 1.00 0.98 H new ATOM 0 HA ARG A 62 17.433 -10.803 -1.833 1.00 1.06 H new ATOM 0 HB2 ARG A 62 19.247 -9.207 -1.009 1.00 1.27 H new ATOM 0 HB3 ARG A 62 19.230 -9.538 -2.730 1.00 1.27 H new ATOM 0 HG2 ARG A 62 18.332 -7.400 -3.255 1.00 1.79 H new ATOM 0 HG3 ARG A 62 17.821 -7.109 -1.604 1.00 1.79 H new ATOM 0 HD2 ARG A 62 20.734 -7.412 -2.423 1.00 2.44 H new ATOM 0 HD3 ARG A 62 19.914 -5.866 -2.338 1.00 2.44 H new ATOM 0 HE ARG A 62 19.401 -6.728 0.142 1.00 3.13 H new ATOM 0 HH11 ARG A 62 22.362 -7.212 -1.719 1.00 3.55 H new ATOM 0 HH12 ARG A 62 23.402 -7.102 -0.296 1.00 3.55 H new ATOM 0 HH21 ARG A 62 20.722 -6.568 1.942 1.00 4.66 H new ATOM 0 HH22 ARG A 62 22.473 -6.738 1.779 1.00 4.66 H new ATOM 932 N ASP A 63 16.101 -8.177 -0.376 1.00 0.81 N ATOM 933 CA ASP A 63 15.492 -7.691 0.851 1.00 0.75 C ATOM 934 C ASP A 63 14.093 -7.179 0.577 1.00 0.61 C ATOM 935 O ASP A 63 13.786 -6.755 -0.542 1.00 0.69 O ATOM 936 CB ASP A 63 16.337 -6.575 1.479 1.00 0.92 C ATOM 937 CG ASP A 63 17.519 -7.105 2.262 1.00 1.70 C ATOM 938 OD1 ASP A 63 17.325 -7.576 3.403 1.00 2.51 O ATOM 939 OD2 ASP A 63 18.653 -7.055 1.735 1.00 2.02 O ATOM 0 H ASP A 63 16.018 -7.539 -1.168 1.00 0.81 H new ATOM 0 HA ASP A 63 15.439 -8.524 1.552 1.00 0.75 H new ATOM 0 HB2 ASP A 63 16.696 -5.911 0.693 1.00 0.92 H new ATOM 0 HB3 ASP A 63 15.708 -5.977 2.139 1.00 0.92 H new ATOM 944 N LYS A 64 13.255 -7.222 1.597 1.00 0.51 N ATOM 945 CA LYS A 64 11.886 -6.748 1.495 1.00 0.48 C ATOM 946 C LYS A 64 11.400 -6.280 2.862 1.00 0.52 C ATOM 947 O LYS A 64 11.529 -6.989 3.857 1.00 0.86 O ATOM 948 CB LYS A 64 10.973 -7.840 0.908 1.00 0.57 C ATOM 949 CG LYS A 64 11.055 -9.190 1.609 1.00 0.65 C ATOM 950 CD LYS A 64 10.069 -9.304 2.764 1.00 0.84 C ATOM 951 CE LYS A 64 10.322 -10.562 3.579 1.00 1.52 C ATOM 952 NZ LYS A 64 11.650 -10.534 4.243 1.00 2.07 N ATOM 0 H LYS A 64 13.503 -7.585 2.517 1.00 0.51 H new ATOM 0 HA LYS A 64 11.850 -5.899 0.812 1.00 0.48 H new ATOM 0 HB2 LYS A 64 9.942 -7.490 0.946 1.00 0.57 H new ATOM 0 HB3 LYS A 64 11.225 -7.977 -0.144 1.00 0.57 H new ATOM 0 HG2 LYS A 64 10.859 -9.984 0.888 1.00 0.65 H new ATOM 0 HG3 LYS A 64 12.068 -9.342 1.983 1.00 0.65 H new ATOM 0 HD2 LYS A 64 10.154 -8.428 3.407 1.00 0.84 H new ATOM 0 HD3 LYS A 64 9.050 -9.317 2.376 1.00 0.84 H new ATOM 0 HE2 LYS A 64 9.542 -10.669 4.332 1.00 1.52 H new ATOM 0 HE3 LYS A 64 10.260 -11.435 2.929 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 11.663 -11.222 5.023 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 12.388 -10.779 3.553 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 11.830 -9.581 4.619 1.00 2.07 H new ATOM 966 N LEU A 65 10.878 -5.069 2.913 1.00 0.34 N ATOM 967 CA LEU A 65 10.446 -4.488 4.175 1.00 0.34 C ATOM 968 C LEU A 65 8.946 -4.298 4.171 1.00 0.38 C ATOM 969 O LEU A 65 8.419 -3.558 3.344 1.00 0.72 O ATOM 970 CB LEU A 65 11.128 -3.146 4.403 1.00 0.52 C ATOM 971 CG LEU A 65 12.547 -3.053 3.855 1.00 1.18 C ATOM 972 CD1 LEU A 65 13.096 -1.651 4.033 1.00 1.98 C ATOM 973 CD2 LEU A 65 13.461 -4.069 4.526 1.00 1.96 C ATOM 0 H LEU A 65 10.742 -4.469 2.100 1.00 0.34 H new ATOM 0 HA LEU A 65 10.723 -5.168 4.981 1.00 0.34 H new ATOM 0 HB2 LEU A 65 10.524 -2.364 3.944 1.00 0.52 H new ATOM 0 HB3 LEU A 65 11.152 -2.943 5.474 1.00 0.52 H new ATOM 0 HG LEU A 65 12.511 -3.281 2.790 1.00 1.18 H new ATOM 0 HD11 LEU A 65 14.110 -1.604 3.636 1.00 1.98 H new ATOM 0 HD12 LEU A 65 12.464 -0.942 3.498 1.00 1.98 H new ATOM 0 HD13 LEU A 65 13.109 -1.397 5.093 1.00 1.98 H new ATOM 0 HD21 LEU A 65 14.467 -3.980 4.116 1.00 1.96 H new ATOM 0 HD22 LEU A 65 13.489 -3.880 5.599 1.00 1.96 H new ATOM 0 HD23 LEU A 65 13.082 -5.075 4.344 1.00 1.96 H new ATOM 985 N TYR A 66 8.262 -4.950 5.093 1.00 0.32 N ATOM 986 CA TYR A 66 6.810 -4.900 5.127 1.00 0.34 C ATOM 987 C TYR A 66 6.343 -3.503 5.497 1.00 0.36 C ATOM 988 O TYR A 66 6.804 -2.920 6.476 1.00 0.44 O ATOM 989 CB TYR A 66 6.263 -5.925 6.118 1.00 0.39 C ATOM 990 CG TYR A 66 6.547 -7.359 5.729 1.00 0.41 C ATOM 991 CD1 TYR A 66 7.743 -7.973 6.080 1.00 0.55 C ATOM 992 CD2 TYR A 66 5.615 -8.102 5.015 1.00 0.50 C ATOM 993 CE1 TYR A 66 8.000 -9.286 5.732 1.00 0.64 C ATOM 994 CE2 TYR A 66 5.866 -9.416 4.663 1.00 0.59 C ATOM 995 CZ TYR A 66 7.058 -10.003 5.024 1.00 0.62 C ATOM 996 OH TYR A 66 7.311 -11.311 4.675 1.00 0.75 O ATOM 0 H TYR A 66 8.685 -5.519 5.826 1.00 0.32 H new ATOM 0 HA TYR A 66 6.430 -5.144 4.135 1.00 0.34 H new ATOM 0 HB2 TYR A 66 6.693 -5.732 7.101 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.185 -5.789 6.210 1.00 0.39 H new ATOM 0 HD1 TYR A 66 8.484 -7.415 6.634 1.00 0.55 H new ATOM 0 HD2 TYR A 66 4.679 -7.646 4.730 1.00 0.50 H new ATOM 0 HE1 TYR A 66 8.935 -9.749 6.013 1.00 0.64 H new ATOM 0 HE2 TYR A 66 5.130 -9.979 4.108 1.00 0.59 H new ATOM 0 HH TYR A 66 7.281 -11.401 3.700 1.00 0.75 H new ATOM 1006 N VAL A 67 5.445 -2.963 4.692 1.00 0.35 N ATOM 1007 CA VAL A 67 4.978 -1.600 4.876 1.00 0.38 C ATOM 1008 C VAL A 67 3.478 -1.552 5.082 1.00 0.40 C ATOM 1009 O VAL A 67 2.708 -2.027 4.254 1.00 0.73 O ATOM 1010 CB VAL A 67 5.361 -0.699 3.687 1.00 0.49 C ATOM 1011 CG1 VAL A 67 6.851 -0.415 3.703 1.00 0.67 C ATOM 1012 CG2 VAL A 67 4.956 -1.330 2.362 1.00 0.60 C ATOM 0 H VAL A 67 5.023 -3.450 3.901 1.00 0.35 H new ATOM 0 HA VAL A 67 5.471 -1.222 5.772 1.00 0.38 H new ATOM 0 HB VAL A 67 4.820 0.242 3.789 1.00 0.49 H new ATOM 0 HG11 VAL A 67 7.109 0.223 2.858 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.115 0.090 4.632 1.00 0.67 H new ATOM 0 HG13 VAL A 67 7.401 -1.353 3.631 1.00 0.67 H new ATOM 0 HG21 VAL A 67 5.240 -0.670 1.543 1.00 0.60 H new ATOM 0 HG22 VAL A 67 5.461 -2.289 2.247 1.00 0.60 H new ATOM 0 HG23 VAL A 67 3.877 -1.484 2.347 1.00 0.60 H new ATOM 1022 N ASN A 68 3.067 -0.978 6.193 1.00 0.42 N ATOM 1023 CA ASN A 68 1.653 -0.810 6.467 1.00 0.49 C ATOM 1024 C ASN A 68 1.224 0.590 6.076 1.00 0.43 C ATOM 1025 O ASN A 68 1.637 1.576 6.688 1.00 0.50 O ATOM 1026 CB ASN A 68 1.324 -1.083 7.939 1.00 0.74 C ATOM 1027 CG ASN A 68 1.211 -2.565 8.250 1.00 0.99 C ATOM 1028 OD1 ASN A 68 0.146 -3.159 8.103 1.00 1.81 O ATOM 1029 ND2 ASN A 68 2.301 -3.166 8.699 1.00 1.60 N ATOM 0 H ASN A 68 3.688 -0.621 6.919 1.00 0.42 H new ATOM 0 HA ASN A 68 1.101 -1.538 5.873 1.00 0.49 H new ATOM 0 HB2 ASN A 68 2.098 -0.642 8.568 1.00 0.74 H new ATOM 0 HB3 ASN A 68 0.386 -0.590 8.195 1.00 0.74 H new ATOM 0 HD21 ASN A 68 2.275 -4.158 8.937 1.00 1.60 H new ATOM 0 HD22 ASN A 68 3.167 -2.638 8.807 1.00 1.60 H new ATOM 1036 N ILE A 69 0.411 0.668 5.037 1.00 0.42 N ATOM 1037 CA ILE A 69 -0.027 1.942 4.494 1.00 0.41 C ATOM 1038 C ILE A 69 -1.100 2.560 5.384 1.00 0.41 C ATOM 1039 O ILE A 69 -2.292 2.352 5.174 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.584 1.771 3.069 1.00 0.50 C ATOM 1041 CG1 ILE A 69 0.163 0.646 2.345 1.00 0.48 C ATOM 1042 CG2 ILE A 69 -0.460 3.080 2.300 1.00 0.81 C ATOM 1043 CD1 ILE A 69 -0.392 0.322 0.976 1.00 0.74 C ATOM 0 H ILE A 69 0.037 -0.145 4.548 1.00 0.42 H new ATOM 0 HA ILE A 69 0.839 2.603 4.458 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.639 1.503 3.128 1.00 0.50 H new ATOM 0 HG12 ILE A 69 1.212 0.926 2.244 1.00 0.48 H new ATOM 0 HG13 ILE A 69 0.131 -0.253 2.961 1.00 0.48 H new ATOM 0 HG21 ILE A 69 -0.856 2.949 1.293 1.00 0.81 H new ATOM 0 HG22 ILE A 69 -1.024 3.859 2.814 1.00 0.81 H new ATOM 0 HG23 ILE A 69 0.589 3.370 2.242 1.00 0.81 H new ATOM 0 HD11 ILE A 69 0.190 -0.484 0.529 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -1.432 0.009 1.070 1.00 0.74 H new ATOM 0 HD13 ILE A 69 -0.335 1.206 0.342 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.664 3.297 6.390 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.573 3.883 7.364 1.00 0.45 C ATOM 1057 C ARG A 70 -1.938 5.299 6.944 1.00 0.39 C ATOM 1058 O ARG A 70 -1.105 6.015 6.385 1.00 0.41 O ATOM 1059 CB ARG A 70 -0.927 3.867 8.756 1.00 0.55 C ATOM 1060 CG ARG A 70 -0.577 2.463 9.224 1.00 1.33 C ATOM 1061 CD ARG A 70 0.322 2.463 10.452 1.00 1.39 C ATOM 1062 NE ARG A 70 0.667 1.098 10.858 1.00 2.23 N ATOM 1063 CZ ARG A 70 1.906 0.673 11.117 1.00 2.69 C ATOM 1064 NH1 ARG A 70 2.921 1.530 11.129 1.00 2.42 N ATOM 1065 NH2 ARG A 70 2.115 -0.611 11.394 1.00 3.79 N ATOM 0 H ARG A 70 0.320 3.506 6.556 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.489 3.294 7.407 1.00 0.45 H new ATOM 0 HB2 ARG A 70 -0.023 4.476 8.740 1.00 0.55 H new ATOM 0 HB3 ARG A 70 -1.608 4.326 9.473 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -1.495 1.920 9.450 1.00 1.33 H new ATOM 0 HG3 ARG A 70 -0.081 1.927 8.415 1.00 1.33 H new ATOM 0 HD2 ARG A 70 1.233 3.023 10.239 1.00 1.39 H new ATOM 0 HD3 ARG A 70 -0.181 2.973 11.274 1.00 1.39 H new ATOM 0 HE ARG A 70 -0.094 0.424 10.949 1.00 2.23 H new ATOM 0 HH11 ARG A 70 2.756 2.519 10.940 1.00 2.42 H new ATOM 0 HH12 ARG A 70 3.865 1.199 11.328 1.00 2.42 H new ATOM 0 HH21 ARG A 70 1.331 -1.264 11.408 1.00 3.79 H new ATOM 0 HH22 ARG A 70 3.059 -0.943 11.593 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.197 5.707 7.173 1.00 0.40 N ATOM 1080 CA PRO A 71 -3.681 7.036 6.788 1.00 0.44 C ATOM 1081 C PRO A 71 -2.771 8.155 7.283 1.00 0.47 C ATOM 1082 O PRO A 71 -2.341 8.154 8.439 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.053 7.121 7.457 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.498 5.705 7.579 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.252 4.898 7.811 1.00 0.50 C ATOM 0 HA PRO A 71 -3.712 7.160 5.706 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -4.989 7.602 8.433 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -5.751 7.706 6.858 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -6.199 5.586 8.405 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.012 5.378 6.675 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -4.059 4.753 8.874 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.325 3.907 7.362 1.00 0.50 H new ATOM 1093 N MET A 72 -2.474 9.098 6.397 1.00 0.52 N ATOM 1094 CA MET A 72 -1.631 10.236 6.739 1.00 0.65 C ATOM 1095 C MET A 72 -2.417 11.229 7.589 1.00 0.81 C ATOM 1096 O MET A 72 -2.830 12.283 7.108 1.00 1.66 O ATOM 1097 CB MET A 72 -1.104 10.909 5.464 1.00 0.75 C ATOM 1098 CG MET A 72 -0.186 12.097 5.712 1.00 0.89 C ATOM 1099 SD MET A 72 1.346 11.643 6.548 1.00 1.54 S ATOM 1100 CE MET A 72 2.141 13.246 6.653 1.00 1.71 C ATOM 0 H MET A 72 -2.806 9.096 5.433 1.00 0.52 H new ATOM 0 HA MET A 72 -0.776 9.885 7.317 1.00 0.65 H new ATOM 0 HB2 MET A 72 -0.567 10.168 4.872 1.00 0.75 H new ATOM 0 HB3 MET A 72 -1.953 11.240 4.866 1.00 0.75 H new ATOM 0 HG2 MET A 72 0.053 12.569 4.759 1.00 0.89 H new ATOM 0 HG3 MET A 72 -0.714 12.838 6.311 1.00 0.89 H new ATOM 0 HE1 MET A 72 3.107 13.141 7.148 1.00 1.71 H new ATOM 0 HE2 MET A 72 2.288 13.645 5.650 1.00 1.71 H new ATOM 0 HE3 MET A 72 1.512 13.927 7.226 1.00 1.71 H new ATOM 1110 N ASP A 73 -2.652 10.846 8.843 1.00 0.85 N ATOM 1111 CA ASP A 73 -3.432 11.643 9.788 1.00 0.91 C ATOM 1112 C ASP A 73 -4.787 12.019 9.191 1.00 0.97 C ATOM 1113 O ASP A 73 -5.002 13.152 8.757 1.00 1.54 O ATOM 1114 CB ASP A 73 -2.659 12.894 10.228 1.00 1.06 C ATOM 1115 CG ASP A 73 -3.412 13.711 11.258 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -3.880 13.128 12.263 1.00 1.74 O ATOM 1117 OD2 ASP A 73 -3.555 14.937 11.062 1.00 1.92 O ATOM 0 H ASP A 73 -2.305 9.970 9.234 1.00 0.85 H new ATOM 0 HA ASP A 73 -3.609 11.034 10.674 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -1.695 12.595 10.640 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -2.454 13.515 9.356 1.00 1.06 H new ATOM 1122 N ASN A 74 -5.692 11.048 9.151 1.00 0.80 N ATOM 1123 CA ASN A 74 -7.007 11.248 8.547 1.00 0.90 C ATOM 1124 C ASN A 74 -8.076 10.439 9.271 1.00 1.03 C ATOM 1125 O ASN A 74 -9.036 11.002 9.796 1.00 1.89 O ATOM 1126 CB ASN A 74 -7.004 10.868 7.058 1.00 0.90 C ATOM 1127 CG ASN A 74 -6.618 12.020 6.144 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -7.467 12.810 5.734 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -5.344 12.114 5.798 1.00 1.21 N ATOM 0 H ASN A 74 -5.541 10.113 9.530 1.00 0.80 H new ATOM 0 HA ASN A 74 -7.239 12.309 8.640 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -6.310 10.042 6.902 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -7.995 10.509 6.780 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -5.039 12.859 5.172 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -4.667 11.441 6.157 1.00 1.21 H new ATOM 1136 N SER A 75 -7.908 9.120 9.293 1.00 0.90 N ATOM 1137 CA SER A 75 -8.914 8.233 9.864 1.00 0.90 C ATOM 1138 C SER A 75 -8.274 6.964 10.420 1.00 0.84 C ATOM 1139 O SER A 75 -7.060 6.774 10.323 1.00 0.93 O ATOM 1140 CB SER A 75 -9.940 7.847 8.797 1.00 0.93 C ATOM 1141 OG SER A 75 -10.488 8.992 8.166 1.00 1.70 O ATOM 0 H SER A 75 -7.086 8.643 8.922 1.00 0.90 H new ATOM 0 HA SER A 75 -9.406 8.766 10.677 1.00 0.90 H new ATOM 0 HB2 SER A 75 -9.467 7.210 8.050 1.00 0.93 H new ATOM 0 HB3 SER A 75 -10.740 7.264 9.254 1.00 0.93 H new ATOM 0 HG SER A 75 -11.247 8.725 7.607 1.00 1.70 H new ATOM 1147 N ALA A 76 -9.105 6.100 10.985 1.00 0.82 N ATOM 1148 CA ALA A 76 -8.658 4.815 11.493 1.00 0.78 C ATOM 1149 C ALA A 76 -9.116 3.701 10.560 1.00 0.63 C ATOM 1150 O ALA A 76 -10.312 3.551 10.298 1.00 0.77 O ATOM 1151 CB ALA A 76 -9.195 4.583 12.898 1.00 0.94 C ATOM 0 H ALA A 76 -10.104 6.271 11.103 1.00 0.82 H new ATOM 0 HA ALA A 76 -7.569 4.814 11.537 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -8.851 3.616 13.264 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -8.835 5.371 13.560 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -10.285 4.596 12.878 1.00 0.94 H new ATOM 1157 N TRP A 77 -8.165 2.941 10.046 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.458 1.868 9.108 1.00 0.38 C ATOM 1159 C TRP A 77 -8.153 0.502 9.725 1.00 0.40 C ATOM 1160 O TRP A 77 -7.533 0.409 10.787 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.630 2.049 7.829 1.00 0.35 C ATOM 1162 CG TRP A 77 -8.146 3.104 6.885 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -8.864 4.232 7.188 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -7.965 3.121 5.466 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -9.153 4.933 6.035 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.608 4.268 4.968 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.324 2.266 4.565 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -8.622 4.580 3.610 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -7.340 2.579 3.220 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -7.988 3.725 2.753 1.00 0.42 C ATOM 0 H TRP A 77 -7.174 3.048 10.264 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.520 1.910 8.866 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.607 2.301 8.108 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -7.591 1.096 7.301 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -9.160 4.529 8.183 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.684 5.802 5.985 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -6.824 1.375 4.915 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -9.118 5.468 3.247 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -6.843 1.927 2.517 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -7.988 3.939 1.694 1.00 0.42 H new ATOM 1181 N THR A 78 -8.606 -0.548 9.058 1.00 0.38 N ATOM 1182 CA THR A 78 -8.293 -1.911 9.443 1.00 0.40 C ATOM 1183 C THR A 78 -6.989 -2.330 8.772 1.00 0.36 C ATOM 1184 O THR A 78 -6.812 -2.137 7.566 1.00 0.37 O ATOM 1185 CB THR A 78 -9.426 -2.873 9.032 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.687 -2.364 9.497 1.00 0.51 O ATOM 1187 CG2 THR A 78 -9.198 -4.268 9.598 1.00 0.49 C ATOM 0 H THR A 78 -9.202 -0.477 8.233 1.00 0.38 H new ATOM 0 HA THR A 78 -8.186 -1.957 10.527 1.00 0.40 H new ATOM 0 HB THR A 78 -9.434 -2.943 7.944 1.00 0.45 H new ATOM 0 HG1 THR A 78 -11.405 -2.977 9.233 1.00 0.51 H new ATOM 0 HG21 THR A 78 -10.013 -4.923 9.291 1.00 0.49 H new ATOM 0 HG22 THR A 78 -8.254 -4.663 9.223 1.00 0.49 H new ATOM 0 HG23 THR A 78 -9.163 -4.218 10.686 1.00 0.49 H new ATOM 1195 N THR A 79 -6.078 -2.893 9.546 1.00 0.41 N ATOM 1196 CA THR A 79 -4.737 -3.156 9.062 1.00 0.40 C ATOM 1197 C THR A 79 -4.484 -4.646 8.831 1.00 0.38 C ATOM 1198 O THR A 79 -4.481 -5.452 9.762 1.00 0.50 O ATOM 1199 CB THR A 79 -3.692 -2.567 10.042 1.00 0.51 C ATOM 1200 OG1 THR A 79 -2.356 -2.880 9.628 1.00 0.53 O ATOM 1201 CG2 THR A 79 -3.916 -3.068 11.466 1.00 0.59 C ATOM 0 H THR A 79 -6.244 -3.176 10.512 1.00 0.41 H new ATOM 0 HA THR A 79 -4.636 -2.666 8.094 1.00 0.40 H new ATOM 0 HB THR A 79 -3.821 -1.485 10.028 1.00 0.51 H new ATOM 0 HG1 THR A 79 -2.123 -2.344 8.842 1.00 0.53 H new ATOM 0 HG21 THR A 79 -3.165 -2.635 12.127 1.00 0.59 H new ATOM 0 HG22 THR A 79 -4.910 -2.773 11.803 1.00 0.59 H new ATOM 0 HG23 THR A 79 -3.834 -4.155 11.487 1.00 0.59 H new ATOM 1209 N ASP A 80 -4.297 -5.003 7.571 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.844 -6.336 7.201 1.00 0.32 C ATOM 1211 C ASP A 80 -2.629 -6.180 6.298 1.00 0.36 C ATOM 1212 O ASP A 80 -2.412 -5.101 5.753 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.950 -7.119 6.475 1.00 0.34 C ATOM 1214 CG ASP A 80 -4.630 -8.599 6.347 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -4.928 -9.361 7.291 1.00 1.65 O ATOM 1216 OD2 ASP A 80 -4.080 -9.008 5.304 1.00 1.70 O ATOM 0 H ASP A 80 -4.454 -4.381 6.778 1.00 0.33 H new ATOM 0 HA ASP A 80 -3.587 -6.899 8.098 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.889 -6.999 7.015 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -5.098 -6.696 5.481 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.827 -7.223 6.141 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.660 -7.129 5.273 1.00 0.57 C ATOM 1223 C ASN A 81 -1.032 -7.433 3.836 1.00 0.59 C ATOM 1224 O ASN A 81 -0.200 -7.337 2.945 1.00 0.72 O ATOM 1225 CB ASN A 81 0.460 -8.068 5.711 1.00 0.68 C ATOM 1226 CG ASN A 81 1.194 -7.581 6.945 1.00 0.81 C ATOM 1227 OD1 ASN A 81 0.845 -7.934 8.070 1.00 1.39 O ATOM 1228 ND2 ASN A 81 2.221 -6.766 6.737 1.00 0.80 N ATOM 0 H ASN A 81 -1.957 -8.128 6.593 1.00 0.44 H new ATOM 0 HA ASN A 81 -0.297 -6.104 5.350 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.042 -9.055 5.910 1.00 0.68 H new ATOM 0 HB3 ASN A 81 1.172 -8.182 4.893 1.00 0.68 H new ATOM 0 HD21 ASN A 81 2.755 -6.407 7.528 1.00 0.80 H new ATOM 0 HD22 ASN A 81 2.476 -6.499 5.786 1.00 0.80 H new ATOM 1235 N GLY A 82 -2.270 -7.832 3.617 1.00 0.55 N ATOM 1236 CA GLY A 82 -2.726 -8.071 2.274 1.00 0.65 C ATOM 1237 C GLY A 82 -3.527 -6.908 1.738 1.00 0.48 C ATOM 1238 O GLY A 82 -3.415 -6.552 0.563 1.00 0.57 O ATOM 0 H GLY A 82 -2.965 -7.994 4.345 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -1.868 -8.251 1.626 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -3.337 -8.974 2.253 1.00 0.65 H new ATOM 1242 N VAL A 83 -4.334 -6.309 2.600 1.00 0.40 N ATOM 1243 CA VAL A 83 -5.158 -5.178 2.215 1.00 0.44 C ATOM 1244 C VAL A 83 -5.192 -4.148 3.324 1.00 0.36 C ATOM 1245 O VAL A 83 -4.964 -4.466 4.491 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.610 -5.585 1.881 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -6.657 -6.504 0.669 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -7.273 -6.243 3.080 1.00 0.67 C ATOM 0 H VAL A 83 -4.435 -6.590 3.575 1.00 0.40 H new ATOM 0 HA VAL A 83 -4.704 -4.761 1.316 1.00 0.44 H new ATOM 0 HB VAL A 83 -7.164 -4.679 1.636 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -7.692 -6.774 0.457 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -6.232 -5.991 -0.194 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -6.081 -7.406 0.874 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -8.295 -6.522 2.823 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -6.713 -7.135 3.361 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -7.287 -5.545 3.917 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.479 -2.918 2.960 1.00 0.32 N ATOM 1259 CA PHE A 84 -5.600 -1.860 3.936 1.00 0.29 C ATOM 1260 C PHE A 84 -6.874 -1.091 3.661 1.00 0.29 C ATOM 1261 O PHE A 84 -6.965 -0.393 2.656 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.384 -0.935 3.877 1.00 0.33 C ATOM 1263 CG PHE A 84 -3.863 -0.565 5.235 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -4.587 0.272 6.070 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -2.650 -1.062 5.678 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.107 0.606 7.323 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.165 -0.731 6.927 1.00 0.35 C ATOM 1268 CZ PHE A 84 -2.895 0.105 7.752 1.00 0.36 C ATOM 0 H PHE A 84 -5.633 -2.626 1.995 1.00 0.32 H new ATOM 0 HA PHE A 84 -5.642 -2.286 4.938 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -3.591 -1.422 3.310 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -4.651 -0.027 3.336 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.536 0.667 5.738 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.076 -1.717 5.039 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -4.680 1.258 7.965 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.216 -1.125 7.260 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.517 0.365 8.730 1.00 0.36 H new ATOM 1278 N TYR A 85 -7.862 -1.248 4.526 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.170 -0.656 4.293 1.00 0.34 C ATOM 1280 C TYR A 85 -9.803 -0.231 5.597 1.00 0.34 C ATOM 1281 O TYR A 85 -9.557 -0.837 6.630 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.094 -1.650 3.576 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.504 -2.857 4.398 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.582 -3.850 4.709 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -11.802 -2.999 4.879 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -9.941 -4.947 5.468 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -12.166 -4.094 5.641 1.00 0.51 C ATOM 1288 CZ TYR A 85 -11.282 -5.082 5.881 1.00 0.53 C ATOM 1289 OH TYR A 85 -11.584 -6.157 6.691 1.00 0.59 O ATOM 0 H TYR A 85 -7.785 -1.779 5.394 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.032 0.222 3.662 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -10.994 -1.122 3.260 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -9.595 -1.998 2.672 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.567 -3.762 4.351 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.538 -2.241 4.653 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -9.206 -5.690 5.741 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -13.165 -4.158 6.046 1.00 0.51 H new ATOM 0 HH TYR A 85 -12.539 -6.143 6.911 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.611 0.813 5.557 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.347 1.201 6.738 1.00 0.37 C ATOM 1301 C LYS A 86 -12.570 0.317 6.876 1.00 0.39 C ATOM 1302 O LYS A 86 -13.195 -0.048 5.879 1.00 0.42 O ATOM 1303 CB LYS A 86 -11.752 2.683 6.726 1.00 0.42 C ATOM 1304 CG LYS A 86 -12.955 3.037 5.861 1.00 0.57 C ATOM 1305 CD LYS A 86 -12.579 3.397 4.433 1.00 0.87 C ATOM 1306 CE LYS A 86 -13.784 3.955 3.686 1.00 0.61 C ATOM 1307 NZ LYS A 86 -13.445 4.383 2.308 1.00 1.39 N ATOM 0 H LYS A 86 -10.770 1.395 4.735 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.690 1.069 7.598 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -11.962 2.990 7.750 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -10.899 3.270 6.386 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -13.645 2.193 5.847 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.485 3.875 6.313 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -11.774 4.132 4.437 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -12.201 2.514 3.917 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -14.566 3.197 3.646 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -14.189 4.803 4.238 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -13.519 5.418 2.238 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -12.473 4.089 2.082 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -14.105 3.943 1.635 1.00 1.39 H new ATOM 1321 N ASN A 87 -12.881 -0.049 8.109 1.00 0.45 N ATOM 1322 CA ASN A 87 -14.047 -0.879 8.393 1.00 0.51 C ATOM 1323 C ASN A 87 -15.320 -0.204 7.880 1.00 0.55 C ATOM 1324 O ASN A 87 -16.253 -0.870 7.428 1.00 0.83 O ATOM 1325 CB ASN A 87 -14.155 -1.143 9.898 1.00 0.61 C ATOM 1326 CG ASN A 87 -15.305 -2.075 10.251 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -16.431 -1.634 10.481 1.00 2.00 O ATOM 1328 ND2 ASN A 87 -15.027 -3.373 10.307 1.00 2.12 N ATOM 0 H ASN A 87 -12.342 0.215 8.934 1.00 0.45 H new ATOM 0 HA ASN A 87 -13.929 -1.832 7.878 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -13.220 -1.575 10.255 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -14.288 -0.195 10.420 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -15.759 -4.041 10.547 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -14.082 -3.701 10.110 1.00 2.12 H new ATOM 1335 N ASP A 88 -15.335 1.126 7.943 1.00 0.51 N ATOM 1336 CA ASP A 88 -16.458 1.924 7.451 1.00 0.54 C ATOM 1337 C ASP A 88 -16.668 1.733 5.957 1.00 0.46 C ATOM 1338 O ASP A 88 -15.768 1.981 5.151 1.00 0.53 O ATOM 1339 CB ASP A 88 -16.227 3.412 7.729 1.00 0.62 C ATOM 1340 CG ASP A 88 -16.346 3.767 9.194 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -15.341 3.628 9.925 1.00 2.10 O ATOM 1342 OD2 ASP A 88 -17.447 4.168 9.627 1.00 1.62 O ATOM 0 H ASP A 88 -14.573 1.680 8.335 1.00 0.51 H new ATOM 0 HA ASP A 88 -17.347 1.581 7.980 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -15.236 3.692 7.373 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -16.948 3.998 7.159 1.00 0.62 H new ATOM 1347 N VAL A 89 -17.858 1.297 5.583 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.216 1.221 4.181 1.00 0.51 C ATOM 1349 C VAL A 89 -18.644 2.598 3.677 1.00 0.51 C ATOM 1350 O VAL A 89 -19.724 3.085 4.000 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.335 0.180 3.914 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -18.804 -1.235 4.078 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -20.530 0.396 4.836 1.00 0.93 C ATOM 0 H VAL A 89 -18.588 0.992 6.227 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.332 0.890 3.636 1.00 0.51 H new ATOM 0 HB VAL A 89 -19.668 0.317 2.885 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -19.605 -1.949 3.886 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -17.991 -1.403 3.371 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -18.434 -1.369 5.094 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.295 -0.351 4.622 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -20.211 0.301 5.874 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -20.940 1.393 4.673 1.00 0.93 H new ATOM 1363 N GLY A 90 -17.783 3.243 2.903 1.00 0.46 N ATOM 1364 CA GLY A 90 -18.106 4.559 2.397 1.00 0.46 C ATOM 1365 C GLY A 90 -16.929 5.228 1.725 1.00 0.39 C ATOM 1366 O GLY A 90 -15.947 4.573 1.369 1.00 0.43 O ATOM 0 H GLY A 90 -16.873 2.881 2.618 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -18.928 4.479 1.686 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.455 5.185 3.219 1.00 0.46 H new ATOM 1370 N SER A 91 -17.018 6.528 1.553 1.00 0.44 N ATOM 1371 CA SER A 91 -15.981 7.282 0.887 1.00 0.50 C ATOM 1372 C SER A 91 -14.871 7.644 1.869 1.00 0.48 C ATOM 1373 O SER A 91 -15.035 7.526 3.083 1.00 0.77 O ATOM 1374 CB SER A 91 -16.591 8.535 0.257 1.00 0.69 C ATOM 1375 OG SER A 91 -17.680 8.188 -0.589 1.00 1.17 O ATOM 0 H SER A 91 -17.808 7.090 1.870 1.00 0.44 H new ATOM 0 HA SER A 91 -15.538 6.673 0.099 1.00 0.50 H new ATOM 0 HB2 SER A 91 -16.932 9.213 1.039 1.00 0.69 H new ATOM 0 HB3 SER A 91 -15.832 9.067 -0.317 1.00 0.69 H new ATOM 0 HG SER A 91 -18.060 9.001 -0.983 1.00 1.17 H new ATOM 1381 N TRP A 92 -13.728 8.034 1.333 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.596 8.443 2.146 1.00 0.45 C ATOM 1383 C TRP A 92 -11.794 9.496 1.399 1.00 0.44 C ATOM 1384 O TRP A 92 -11.720 10.640 1.831 1.00 0.49 O ATOM 1385 CB TRP A 92 -11.734 7.238 2.492 1.00 0.47 C ATOM 1386 CG TRP A 92 -10.732 7.549 3.547 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -10.950 7.653 4.889 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.357 7.815 3.338 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -9.777 7.966 5.530 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -8.779 8.071 4.594 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.560 7.857 2.204 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.430 8.366 4.738 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -7.231 8.149 2.343 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -6.670 8.403 3.601 1.00 0.51 C ATOM 0 H TRP A 92 -13.559 8.076 0.328 1.00 0.50 H new ATOM 0 HA TRP A 92 -12.953 8.875 3.081 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -12.372 6.421 2.829 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -11.220 6.892 1.595 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -11.904 7.510 5.375 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -9.666 8.099 6.535 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -8.981 7.663 1.229 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -6.998 8.559 5.709 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.602 8.184 1.466 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -5.617 8.632 3.675 1.00 0.51 H new ATOM 1405 N GLY A 93 -11.257 9.091 0.251 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.469 9.976 -0.615 1.00 0.49 C ATOM 1407 C GLY A 93 -9.547 10.950 0.118 1.00 0.57 C ATOM 1408 O GLY A 93 -9.945 12.071 0.430 1.00 1.25 O ATOM 0 H GLY A 93 -11.353 8.141 -0.109 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -9.865 9.361 -1.283 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -11.153 10.549 -1.241 1.00 0.49 H new ATOM 1412 N GLY A 94 -8.306 10.544 0.346 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.363 11.400 1.034 1.00 0.50 C ATOM 1414 C GLY A 94 -5.925 11.008 0.764 1.00 0.50 C ATOM 1415 O GLY A 94 -5.519 10.873 -0.390 1.00 0.72 O ATOM 0 H GLY A 94 -7.936 9.636 0.066 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -7.520 12.433 0.723 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -7.553 11.358 2.106 1.00 0.50 H new ATOM 1419 N THR A 95 -5.154 10.815 1.827 1.00 0.46 N ATOM 1420 CA THR A 95 -3.741 10.480 1.699 1.00 0.45 C ATOM 1421 C THR A 95 -3.334 9.357 2.656 1.00 0.40 C ATOM 1422 O THR A 95 -3.679 9.374 3.841 1.00 0.45 O ATOM 1423 CB THR A 95 -2.858 11.716 1.962 1.00 0.53 C ATOM 1424 OG1 THR A 95 -3.381 12.461 3.071 1.00 0.60 O ATOM 1425 CG2 THR A 95 -2.778 12.607 0.733 1.00 0.60 C ATOM 0 H THR A 95 -5.484 10.885 2.790 1.00 0.46 H new ATOM 0 HA THR A 95 -3.590 10.135 0.676 1.00 0.45 H new ATOM 0 HB THR A 95 -1.851 11.370 2.197 1.00 0.53 H new ATOM 0 HG1 THR A 95 -2.815 13.244 3.235 1.00 0.60 H new ATOM 0 HG21 THR A 95 -2.149 13.470 0.950 1.00 0.60 H new ATOM 0 HG22 THR A 95 -2.350 12.045 -0.097 1.00 0.60 H new ATOM 0 HG23 THR A 95 -3.778 12.946 0.464 1.00 0.60 H new ATOM 1433 N ILE A 96 -2.611 8.375 2.129 1.00 0.38 N ATOM 1434 CA ILE A 96 -2.088 7.269 2.928 1.00 0.39 C ATOM 1435 C ILE A 96 -0.608 7.076 2.630 1.00 0.40 C ATOM 1436 O ILE A 96 -0.203 7.073 1.472 1.00 0.54 O ATOM 1437 CB ILE A 96 -2.850 5.952 2.663 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -3.866 6.145 1.541 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -3.535 5.463 3.928 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -4.967 5.108 1.522 1.00 1.63 C ATOM 0 H ILE A 96 -2.371 8.322 1.139 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.227 7.525 3.978 1.00 0.39 H new ATOM 0 HB ILE A 96 -2.131 5.194 2.353 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -4.314 7.134 1.637 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -3.344 6.123 0.584 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -4.066 4.534 3.719 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -2.788 5.287 4.702 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -4.244 6.216 4.272 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -5.647 5.315 0.696 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -4.531 4.117 1.394 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -5.517 5.144 2.463 1.00 1.63 H new ATOM 1452 N GLY A 97 0.194 6.916 3.666 1.00 0.39 N ATOM 1453 CA GLY A 97 1.631 6.939 3.489 1.00 0.45 C ATOM 1454 C GLY A 97 2.262 5.572 3.606 1.00 0.39 C ATOM 1455 O GLY A 97 1.703 4.672 4.230 1.00 0.37 O ATOM 0 H GLY A 97 -0.120 6.771 4.625 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.864 7.358 2.510 1.00 0.45 H new ATOM 0 HA3 GLY A 97 2.073 7.602 4.233 1.00 0.45 H new ATOM 1459 N ILE A 98 3.428 5.414 3.001 1.00 0.38 N ATOM 1460 CA ILE A 98 4.161 4.165 3.080 1.00 0.36 C ATOM 1461 C ILE A 98 5.227 4.252 4.163 1.00 0.38 C ATOM 1462 O ILE A 98 6.133 5.085 4.094 1.00 0.42 O ATOM 1463 CB ILE A 98 4.803 3.794 1.721 1.00 0.41 C ATOM 1464 CG1 ILE A 98 3.736 3.326 0.729 1.00 0.50 C ATOM 1465 CG2 ILE A 98 5.860 2.717 1.896 1.00 0.45 C ATOM 1466 CD1 ILE A 98 2.848 4.431 0.197 1.00 0.83 C ATOM 0 H ILE A 98 3.887 6.139 2.449 1.00 0.38 H new ATOM 0 HA ILE A 98 3.453 3.377 3.336 1.00 0.36 H new ATOM 0 HB ILE A 98 5.283 4.688 1.323 1.00 0.41 H new ATOM 0 HG12 ILE A 98 4.228 2.836 -0.111 1.00 0.50 H new ATOM 0 HG13 ILE A 98 3.111 2.576 1.214 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.296 2.474 0.927 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.641 3.079 2.565 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.403 1.824 2.322 1.00 0.45 H new ATOM 0 HD11 ILE A 98 2.121 4.011 -0.498 1.00 0.83 H new ATOM 0 HD12 ILE A 98 2.324 4.907 1.026 1.00 0.83 H new ATOM 0 HD13 ILE A 98 3.459 5.172 -0.320 1.00 0.83 H new ATOM 1478 N TYR A 99 5.092 3.401 5.170 1.00 0.42 N ATOM 1479 CA TYR A 99 6.020 3.378 6.289 1.00 0.53 C ATOM 1480 C TYR A 99 6.563 1.968 6.470 1.00 0.44 C ATOM 1481 O TYR A 99 5.793 1.006 6.441 1.00 0.50 O ATOM 1482 CB TYR A 99 5.320 3.801 7.590 1.00 0.73 C ATOM 1483 CG TYR A 99 4.201 4.806 7.420 1.00 0.55 C ATOM 1484 CD1 TYR A 99 4.465 6.162 7.352 1.00 0.88 C ATOM 1485 CD2 TYR A 99 2.878 4.396 7.345 1.00 0.74 C ATOM 1486 CE1 TYR A 99 3.448 7.082 7.209 1.00 1.11 C ATOM 1487 CE2 TYR A 99 1.855 5.313 7.200 1.00 0.82 C ATOM 1488 CZ TYR A 99 2.148 6.656 7.132 1.00 0.92 C ATOM 1489 OH TYR A 99 1.138 7.576 6.978 1.00 1.28 O ATOM 0 H TYR A 99 4.342 2.713 5.234 1.00 0.42 H new ATOM 0 HA TYR A 99 6.829 4.076 6.074 1.00 0.53 H new ATOM 0 HB2 TYR A 99 4.918 2.911 8.074 1.00 0.73 H new ATOM 0 HB3 TYR A 99 6.065 4.221 8.265 1.00 0.73 H new ATOM 0 HD1 TYR A 99 5.487 6.507 7.412 1.00 0.88 H new ATOM 0 HD2 TYR A 99 2.644 3.343 7.401 1.00 0.74 H new ATOM 0 HE1 TYR A 99 3.676 8.136 7.158 1.00 1.11 H new ATOM 0 HE2 TYR A 99 0.830 4.978 7.140 1.00 0.82 H new ATOM 0 HH TYR A 99 0.306 7.113 6.748 1.00 1.28 H new ATOM 1499 N VAL A 100 7.873 1.833 6.641 1.00 0.44 N ATOM 1500 CA VAL A 100 8.447 0.534 6.954 1.00 0.40 C ATOM 1501 C VAL A 100 7.966 0.102 8.341 1.00 0.42 C ATOM 1502 O VAL A 100 8.175 0.810 9.328 1.00 0.56 O ATOM 1503 CB VAL A 100 10.001 0.536 6.887 1.00 0.50 C ATOM 1504 CG1 VAL A 100 10.620 1.485 7.904 1.00 1.14 C ATOM 1505 CG2 VAL A 100 10.542 -0.870 7.078 1.00 0.78 C ATOM 0 H VAL A 100 8.547 2.595 6.569 1.00 0.44 H new ATOM 0 HA VAL A 100 8.110 -0.178 6.201 1.00 0.40 H new ATOM 0 HB VAL A 100 10.281 0.896 5.897 1.00 0.50 H new ATOM 0 HG11 VAL A 100 11.706 1.452 7.819 1.00 1.14 H new ATOM 0 HG12 VAL A 100 10.272 2.500 7.713 1.00 1.14 H new ATOM 0 HG13 VAL A 100 10.325 1.184 8.909 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.631 -0.851 7.028 1.00 0.78 H new ATOM 0 HG22 VAL A 100 10.230 -1.251 8.050 1.00 0.78 H new ATOM 0 HG23 VAL A 100 10.154 -1.519 6.293 1.00 0.78 H new ATOM 1515 N ASP A 101 7.273 -1.028 8.406 1.00 0.40 N ATOM 1516 CA ASP A 101 6.736 -1.509 9.673 1.00 0.50 C ATOM 1517 C ASP A 101 7.869 -2.038 10.535 1.00 0.59 C ATOM 1518 O ASP A 101 8.169 -3.236 10.545 1.00 0.77 O ATOM 1519 CB ASP A 101 5.672 -2.587 9.444 1.00 0.67 C ATOM 1520 CG ASP A 101 4.910 -2.937 10.709 1.00 0.83 C ATOM 1521 OD1 ASP A 101 4.371 -2.013 11.355 1.00 0.93 O ATOM 1522 OD2 ASP A 101 4.816 -4.139 11.041 1.00 1.02 O ATOM 0 H ASP A 101 7.071 -1.624 7.604 1.00 0.40 H new ATOM 0 HA ASP A 101 6.254 -0.680 10.191 1.00 0.50 H new ATOM 0 HB2 ASP A 101 4.969 -2.243 8.685 1.00 0.67 H new ATOM 0 HB3 ASP A 101 6.149 -3.485 9.052 1.00 0.67 H new ATOM 1527 N GLY A 102 8.517 -1.116 11.226 1.00 0.61 N ATOM 1528 CA GLY A 102 9.723 -1.425 11.952 1.00 0.81 C ATOM 1529 C GLY A 102 10.944 -0.909 11.219 1.00 0.85 C ATOM 1530 O GLY A 102 11.441 -1.569 10.307 1.00 1.53 O ATOM 0 H GLY A 102 8.220 -0.143 11.296 1.00 0.61 H new ATOM 0 HA2 GLY A 102 9.677 -0.981 12.947 1.00 0.81 H new ATOM 0 HA3 GLY A 102 9.804 -2.504 12.087 1.00 0.81 H new ATOM 1534 N GLN A 103 11.374 0.307 11.586 1.00 0.64 N ATOM 1535 CA GLN A 103 12.587 0.933 11.053 1.00 0.60 C ATOM 1536 C GLN A 103 13.680 -0.077 10.690 1.00 0.61 C ATOM 1537 O GLN A 103 14.338 -0.649 11.560 1.00 0.65 O ATOM 1538 CB GLN A 103 13.131 1.933 12.074 1.00 0.71 C ATOM 1539 CG GLN A 103 13.173 1.392 13.494 1.00 1.01 C ATOM 1540 CD GLN A 103 13.723 2.392 14.485 1.00 1.35 C ATOM 1541 OE1 GLN A 103 14.600 3.197 14.161 1.00 1.78 O ATOM 1542 NE2 GLN A 103 13.189 2.371 15.693 1.00 2.11 N ATOM 0 H GLN A 103 10.883 0.886 12.267 1.00 0.64 H new ATOM 0 HA GLN A 103 12.306 1.437 10.128 1.00 0.60 H new ATOM 0 HB2 GLN A 103 14.137 2.231 11.778 1.00 0.71 H new ATOM 0 HB3 GLN A 103 12.514 2.831 12.055 1.00 0.71 H new ATOM 0 HG2 GLN A 103 12.167 1.102 13.797 1.00 1.01 H new ATOM 0 HG3 GLN A 103 13.785 0.490 13.517 1.00 1.01 H new ATOM 0 HE21 GLN A 103 12.466 1.688 15.919 1.00 2.11 H new ATOM 0 HE22 GLN A 103 13.500 3.038 16.400 1.00 2.11 H new ATOM 1551 N GLN A 104 13.859 -0.301 9.392 1.00 0.73 N ATOM 1552 CA GLN A 104 14.887 -1.212 8.907 1.00 0.94 C ATOM 1553 C GLN A 104 16.243 -0.511 8.843 1.00 1.02 C ATOM 1554 O GLN A 104 17.283 -1.156 8.721 1.00 1.28 O ATOM 1555 CB GLN A 104 14.501 -1.739 7.522 1.00 1.12 C ATOM 1556 CG GLN A 104 15.422 -2.826 6.986 1.00 1.96 C ATOM 1557 CD GLN A 104 15.399 -4.085 7.830 1.00 1.98 C ATOM 1558 OE1 GLN A 104 14.392 -4.409 8.462 1.00 2.02 O ATOM 1559 NE2 GLN A 104 16.503 -4.812 7.835 1.00 2.62 N ATOM 0 H GLN A 104 13.304 0.137 8.657 1.00 0.73 H new ATOM 0 HA GLN A 104 14.966 -2.049 9.601 1.00 0.94 H new ATOM 0 HB2 GLN A 104 13.484 -2.129 7.565 1.00 1.12 H new ATOM 0 HB3 GLN A 104 14.493 -0.906 6.819 1.00 1.12 H new ATOM 0 HG2 GLN A 104 15.129 -3.073 5.965 1.00 1.96 H new ATOM 0 HG3 GLN A 104 16.441 -2.443 6.941 1.00 1.96 H new ATOM 0 HE21 GLN A 104 17.316 -4.509 7.298 1.00 2.62 H new ATOM 0 HE22 GLN A 104 16.542 -5.676 8.376 1.00 2.62 H new ATOM 1568 N THR A 105 16.216 0.817 8.913 1.00 1.14 N ATOM 1569 CA THR A 105 17.430 1.629 8.876 1.00 1.42 C ATOM 1570 C THR A 105 18.172 1.455 7.543 1.00 1.11 C ATOM 1571 O THR A 105 19.384 1.643 7.456 1.00 1.04 O ATOM 1572 CB THR A 105 18.347 1.295 10.076 1.00 1.90 C ATOM 1573 OG1 THR A 105 17.549 1.232 11.269 1.00 2.27 O ATOM 1574 CG2 THR A 105 19.426 2.356 10.266 1.00 2.43 C ATOM 0 H THR A 105 15.356 1.359 8.997 1.00 1.14 H new ATOM 0 HA THR A 105 17.140 2.677 8.955 1.00 1.42 H new ATOM 0 HB THR A 105 18.833 0.339 9.879 1.00 1.90 H new ATOM 0 HG1 THR A 105 18.122 1.019 12.035 1.00 2.27 H new ATOM 0 HG21 THR A 105 20.052 2.090 11.118 1.00 2.43 H new ATOM 0 HG22 THR A 105 20.041 2.415 9.368 1.00 2.43 H new ATOM 0 HG23 THR A 105 18.957 3.323 10.449 1.00 2.43 H new ATOM 1582 N ASN A 106 17.413 1.105 6.502 1.00 1.04 N ATOM 1583 CA ASN A 106 17.922 1.054 5.135 1.00 0.88 C ATOM 1584 C ASN A 106 19.012 -0.006 4.963 1.00 0.81 C ATOM 1585 O ASN A 106 20.199 0.261 5.151 1.00 0.79 O ATOM 1586 CB ASN A 106 18.439 2.438 4.727 1.00 0.97 C ATOM 1587 CG ASN A 106 18.832 2.535 3.267 1.00 0.86 C ATOM 1588 OD1 ASN A 106 17.998 2.860 2.418 1.00 1.56 O ATOM 1589 ND2 ASN A 106 20.093 2.278 2.970 1.00 0.80 N ATOM 0 H ASN A 106 16.429 0.850 6.586 1.00 1.04 H new ATOM 0 HA ASN A 106 17.099 0.766 4.480 1.00 0.88 H new ATOM 0 HB2 ASN A 106 17.669 3.180 4.937 1.00 0.97 H new ATOM 0 HB3 ASN A 106 19.301 2.690 5.344 1.00 0.97 H new ATOM 0 HD21 ASN A 106 20.413 2.345 2.004 1.00 0.80 H new ATOM 0 HD22 ASN A 106 20.747 2.013 3.707 1.00 0.80 H new ATOM 1596 N THR A 107 18.588 -1.212 4.632 1.00 0.86 N ATOM 1597 CA THR A 107 19.509 -2.290 4.309 1.00 0.89 C ATOM 1598 C THR A 107 19.800 -2.257 2.809 1.00 0.80 C ATOM 1599 O THR A 107 18.862 -2.116 2.029 1.00 0.86 O ATOM 1600 CB THR A 107 18.897 -3.650 4.716 1.00 1.13 C ATOM 1601 OG1 THR A 107 18.518 -3.606 6.102 1.00 1.68 O ATOM 1602 CG2 THR A 107 19.872 -4.800 4.495 1.00 1.53 C ATOM 0 H THR A 107 17.603 -1.472 4.579 1.00 0.86 H new ATOM 0 HA THR A 107 20.441 -2.160 4.860 1.00 0.89 H new ATOM 0 HB THR A 107 18.024 -3.826 4.088 1.00 1.13 H new ATOM 0 HG1 THR A 107 19.063 -4.243 6.610 1.00 1.68 H new ATOM 0 HG21 THR A 107 19.403 -5.737 4.794 1.00 1.53 H new ATOM 0 HG22 THR A 107 20.143 -4.850 3.440 1.00 1.53 H new ATOM 0 HG23 THR A 107 20.769 -4.637 5.093 1.00 1.53 H new ATOM 1610 N PRO A 108 21.100 -2.372 2.411 1.00 0.82 N ATOM 1611 CA PRO A 108 21.599 -2.191 1.039 1.00 0.84 C ATOM 1612 C PRO A 108 20.538 -2.309 -0.059 1.00 0.76 C ATOM 1613 O PRO A 108 20.252 -3.397 -0.569 1.00 0.91 O ATOM 1614 CB PRO A 108 22.636 -3.305 0.947 1.00 1.07 C ATOM 1615 CG PRO A 108 23.190 -3.428 2.339 1.00 1.26 C ATOM 1616 CD PRO A 108 22.226 -2.728 3.281 1.00 0.99 C ATOM 0 HA PRO A 108 21.980 -1.184 0.871 1.00 0.84 H new ATOM 0 HB2 PRO A 108 22.184 -4.240 0.617 1.00 1.07 H new ATOM 0 HB3 PRO A 108 23.419 -3.059 0.230 1.00 1.07 H new ATOM 0 HG2 PRO A 108 23.302 -4.476 2.615 1.00 1.26 H new ATOM 0 HG3 PRO A 108 24.180 -2.975 2.398 1.00 1.26 H new ATOM 0 HD2 PRO A 108 21.914 -3.382 4.095 1.00 0.99 H new ATOM 0 HD3 PRO A 108 22.677 -1.846 3.736 1.00 0.99 H new ATOM 1624 N PRO A 109 19.929 -1.166 -0.407 1.00 0.61 N ATOM 1625 CA PRO A 109 18.826 -1.089 -1.343 1.00 0.56 C ATOM 1626 C PRO A 109 19.237 -0.657 -2.749 1.00 0.57 C ATOM 1627 O PRO A 109 20.407 -0.716 -3.127 1.00 0.76 O ATOM 1628 CB PRO A 109 17.968 -0.009 -0.694 1.00 0.59 C ATOM 1629 CG PRO A 109 18.929 0.900 0.006 1.00 0.64 C ATOM 1630 CD PRO A 109 20.236 0.159 0.136 1.00 0.63 C ATOM 0 HA PRO A 109 18.345 -2.055 -1.499 1.00 0.56 H new ATOM 0 HB2 PRO A 109 17.389 0.533 -1.441 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.256 -0.443 0.008 1.00 0.59 H new ATOM 0 HG2 PRO A 109 19.065 1.823 -0.558 1.00 0.64 H new ATOM 0 HG3 PRO A 109 18.547 1.180 0.988 1.00 0.64 H new ATOM 0 HD2 PRO A 109 21.033 0.648 -0.424 1.00 0.63 H new ATOM 0 HD3 PRO A 109 20.564 0.102 1.174 1.00 0.63 H new ATOM 1638 N GLY A 110 18.246 -0.208 -3.508 1.00 0.49 N ATOM 1639 CA GLY A 110 18.467 0.248 -4.861 1.00 0.58 C ATOM 1640 C GLY A 110 17.196 0.826 -5.443 1.00 0.54 C ATOM 1641 O GLY A 110 16.808 1.949 -5.116 1.00 0.76 O ATOM 0 H GLY A 110 17.275 -0.152 -3.200 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.254 1.002 -4.872 1.00 0.58 H new ATOM 0 HA3 GLY A 110 18.811 -0.582 -5.478 1.00 0.58 H new ATOM 1645 N ASN A 111 16.530 0.050 -6.279 1.00 0.45 N ATOM 1646 CA ASN A 111 15.255 0.455 -6.849 1.00 0.44 C ATOM 1647 C ASN A 111 14.153 -0.433 -6.298 1.00 0.42 C ATOM 1648 O ASN A 111 14.101 -1.623 -6.602 1.00 0.58 O ATOM 1649 CB ASN A 111 15.281 0.353 -8.379 1.00 0.56 C ATOM 1650 CG ASN A 111 16.320 1.256 -9.020 1.00 1.10 C ATOM 1651 OD1 ASN A 111 17.469 0.856 -9.222 1.00 2.04 O ATOM 1652 ND2 ASN A 111 15.923 2.477 -9.349 1.00 1.41 N ATOM 0 H ASN A 111 16.852 -0.870 -6.580 1.00 0.45 H new ATOM 0 HA ASN A 111 15.067 1.494 -6.578 1.00 0.44 H new ATOM 0 HB2 ASN A 111 15.480 -0.680 -8.665 1.00 0.56 H new ATOM 0 HB3 ASN A 111 14.296 0.608 -8.771 1.00 0.56 H new ATOM 0 HD21 ASN A 111 16.577 3.125 -9.787 1.00 1.41 H new ATOM 0 HD22 ASN A 111 14.963 2.768 -9.164 1.00 1.41 H new ATOM 1659 N TYR A 112 13.282 0.137 -5.484 1.00 0.35 N ATOM 1660 CA TYR A 112 12.207 -0.627 -4.877 1.00 0.37 C ATOM 1661 C TYR A 112 10.943 -0.496 -5.696 1.00 0.42 C ATOM 1662 O TYR A 112 10.501 0.608 -6.016 1.00 0.55 O ATOM 1663 CB TYR A 112 11.957 -0.189 -3.435 1.00 0.40 C ATOM 1664 CG TYR A 112 12.909 -0.813 -2.447 1.00 0.40 C ATOM 1665 CD1 TYR A 112 14.220 -0.388 -2.343 1.00 0.64 C ATOM 1666 CD2 TYR A 112 12.489 -1.839 -1.617 1.00 0.68 C ATOM 1667 CE1 TYR A 112 15.083 -0.968 -1.441 1.00 0.67 C ATOM 1668 CE2 TYR A 112 13.346 -2.424 -0.708 1.00 0.75 C ATOM 1669 CZ TYR A 112 14.644 -1.985 -0.625 1.00 0.59 C ATOM 1670 OH TYR A 112 15.508 -2.553 0.282 1.00 0.69 O ATOM 0 H TYR A 112 13.298 1.124 -5.229 1.00 0.35 H new ATOM 0 HA TYR A 112 12.509 -1.674 -4.859 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.040 0.896 -3.373 1.00 0.40 H new ATOM 0 HB3 TYR A 112 10.935 -0.447 -3.157 1.00 0.40 H new ATOM 0 HD1 TYR A 112 14.572 0.411 -2.979 1.00 0.64 H new ATOM 0 HD2 TYR A 112 11.469 -2.188 -1.683 1.00 0.68 H new ATOM 0 HE1 TYR A 112 16.105 -0.625 -1.374 1.00 0.67 H new ATOM 0 HE2 TYR A 112 12.999 -3.221 -0.067 1.00 0.75 H new ATOM 0 HH TYR A 112 15.042 -3.256 0.782 1.00 0.69 H new ATOM 1680 N THR A 113 10.373 -1.634 -6.027 1.00 0.38 N ATOM 1681 CA THR A 113 9.216 -1.691 -6.886 1.00 0.46 C ATOM 1682 C THR A 113 8.022 -2.251 -6.130 1.00 0.51 C ATOM 1683 O THR A 113 7.889 -3.457 -5.961 1.00 0.83 O ATOM 1684 CB THR A 113 9.515 -2.574 -8.102 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.727 -2.131 -8.723 1.00 0.66 O ATOM 1686 CG2 THR A 113 8.377 -2.539 -9.109 1.00 0.74 C ATOM 0 H THR A 113 10.701 -2.545 -5.707 1.00 0.38 H new ATOM 0 HA THR A 113 8.979 -0.681 -7.220 1.00 0.46 H new ATOM 0 HB THR A 113 9.625 -3.603 -7.759 1.00 0.62 H new ATOM 0 HG1 THR A 113 10.922 -2.695 -9.500 1.00 0.66 H new ATOM 0 HG21 THR A 113 8.623 -3.176 -9.958 1.00 0.74 H new ATOM 0 HG22 THR A 113 7.463 -2.900 -8.638 1.00 0.74 H new ATOM 0 HG23 THR A 113 8.228 -1.516 -9.454 1.00 0.74 H new ATOM 1694 N LEU A 114 7.173 -1.367 -5.656 1.00 0.34 N ATOM 1695 CA LEU A 114 5.991 -1.773 -4.919 1.00 0.38 C ATOM 1696 C LEU A 114 4.734 -1.301 -5.633 1.00 0.40 C ATOM 1697 O LEU A 114 4.359 -0.131 -5.554 1.00 0.47 O ATOM 1698 CB LEU A 114 6.029 -1.245 -3.475 1.00 0.43 C ATOM 1699 CG LEU A 114 6.497 0.204 -3.304 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.803 0.847 -2.114 1.00 0.51 C ATOM 1701 CD2 LEU A 114 8.008 0.256 -3.117 1.00 0.41 C ATOM 0 H LEU A 114 7.277 -0.358 -5.767 1.00 0.34 H new ATOM 0 HA LEU A 114 5.976 -2.862 -4.874 1.00 0.38 H new ATOM 0 HB2 LEU A 114 5.030 -1.336 -3.049 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.685 -1.890 -2.890 1.00 0.43 H new ATOM 0 HG LEU A 114 6.236 0.759 -4.205 1.00 0.41 H new ATOM 0 HD11 LEU A 114 6.146 1.876 -2.005 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.725 0.839 -2.273 1.00 0.51 H new ATOM 0 HD13 LEU A 114 6.040 0.288 -1.209 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.324 1.292 -2.997 1.00 0.41 H new ATOM 0 HD22 LEU A 114 8.285 -0.313 -2.229 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.498 -0.174 -3.991 1.00 0.41 H new ATOM 1713 N THR A 115 4.098 -2.208 -6.353 1.00 0.42 N ATOM 1714 CA THR A 115 2.906 -1.876 -7.106 1.00 0.45 C ATOM 1715 C THR A 115 1.661 -2.047 -6.240 1.00 0.44 C ATOM 1716 O THR A 115 1.505 -3.053 -5.550 1.00 0.47 O ATOM 1717 CB THR A 115 2.796 -2.749 -8.369 1.00 0.49 C ATOM 1718 OG1 THR A 115 4.033 -2.704 -9.097 1.00 0.56 O ATOM 1719 CG2 THR A 115 1.664 -2.271 -9.266 1.00 0.59 C ATOM 0 H THR A 115 4.390 -3.182 -6.431 1.00 0.42 H new ATOM 0 HA THR A 115 2.980 -0.833 -7.412 1.00 0.45 H new ATOM 0 HB THR A 115 2.584 -3.772 -8.059 1.00 0.49 H new ATOM 0 HG1 THR A 115 4.595 -3.463 -8.835 1.00 0.56 H new ATOM 0 HG21 THR A 115 1.608 -2.905 -10.151 1.00 0.59 H new ATOM 0 HG22 THR A 115 0.721 -2.324 -8.722 1.00 0.59 H new ATOM 0 HG23 THR A 115 1.850 -1.241 -9.569 1.00 0.59 H new ATOM 1727 N LEU A 116 0.791 -1.052 -6.262 1.00 0.45 N ATOM 1728 CA LEU A 116 -0.425 -1.081 -5.472 1.00 0.47 C ATOM 1729 C LEU A 116 -1.650 -1.126 -6.377 1.00 0.48 C ATOM 1730 O LEU A 116 -1.821 -0.282 -7.259 1.00 0.63 O ATOM 1731 CB LEU A 116 -0.480 0.141 -4.553 1.00 0.54 C ATOM 1732 CG LEU A 116 0.576 0.172 -3.446 1.00 0.61 C ATOM 1733 CD1 LEU A 116 0.470 1.463 -2.649 1.00 1.27 C ATOM 1734 CD2 LEU A 116 0.430 -1.037 -2.531 1.00 1.05 C ATOM 0 H LEU A 116 0.907 -0.208 -6.823 1.00 0.45 H new ATOM 0 HA LEU A 116 -0.423 -1.982 -4.858 1.00 0.47 H new ATOM 0 HB2 LEU A 116 -0.371 1.039 -5.162 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -1.467 0.185 -4.093 1.00 0.54 H new ATOM 0 HG LEU A 116 1.562 0.132 -3.909 1.00 0.61 H new ATOM 0 HD11 LEU A 116 1.228 1.470 -1.865 1.00 1.27 H new ATOM 0 HD12 LEU A 116 0.626 2.314 -3.312 1.00 1.27 H new ATOM 0 HD13 LEU A 116 -0.520 1.532 -2.197 1.00 1.27 H new ATOM 0 HD21 LEU A 116 1.190 -0.997 -1.751 1.00 1.05 H new ATOM 0 HD22 LEU A 116 -0.560 -1.030 -2.074 1.00 1.05 H new ATOM 0 HD23 LEU A 116 0.555 -1.950 -3.112 1.00 1.05 H new ATOM 1746 N THR A 117 -2.486 -2.126 -6.162 1.00 0.44 N ATOM 1747 CA THR A 117 -3.698 -2.296 -6.938 1.00 0.48 C ATOM 1748 C THR A 117 -4.865 -1.580 -6.268 1.00 0.58 C ATOM 1749 O THR A 117 -5.291 -1.960 -5.173 1.00 0.70 O ATOM 1750 CB THR A 117 -4.040 -3.791 -7.097 1.00 0.53 C ATOM 1751 OG1 THR A 117 -2.898 -4.500 -7.597 1.00 0.56 O ATOM 1752 CG2 THR A 117 -5.212 -3.982 -8.048 1.00 0.57 C ATOM 0 H THR A 117 -2.343 -2.840 -5.447 1.00 0.44 H new ATOM 0 HA THR A 117 -3.527 -1.863 -7.924 1.00 0.48 H new ATOM 0 HB THR A 117 -4.318 -4.184 -6.119 1.00 0.53 H new ATOM 0 HG1 THR A 117 -3.120 -5.450 -7.695 1.00 0.56 H new ATOM 0 HG21 THR A 117 -5.434 -5.045 -8.143 1.00 0.57 H new ATOM 0 HG22 THR A 117 -6.087 -3.463 -7.656 1.00 0.57 H new ATOM 0 HG23 THR A 117 -4.957 -3.575 -9.027 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.364 -0.536 -6.915 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.507 0.181 -6.392 1.00 0.79 C ATOM 1762 C GLY A 118 -7.800 -0.568 -6.638 1.00 0.64 C ATOM 1763 O GLY A 118 -8.129 -0.894 -7.780 1.00 0.80 O ATOM 0 H GLY A 118 -4.996 -0.173 -7.794 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.377 0.341 -5.322 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -6.563 1.165 -6.857 1.00 0.79 H new ATOM 1767 N GLY A 119 -8.527 -0.864 -5.573 1.00 0.52 N ATOM 1768 CA GLY A 119 -9.769 -1.589 -5.718 1.00 0.50 C ATOM 1769 C GLY A 119 -10.560 -1.634 -4.439 1.00 0.44 C ATOM 1770 O GLY A 119 -10.163 -1.034 -3.437 1.00 0.53 O ATOM 0 H GLY A 119 -8.280 -0.616 -4.615 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -10.370 -1.121 -6.498 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -9.556 -2.606 -6.046 1.00 0.50 H new ATOM 1774 N TYR A 120 -11.678 -2.342 -4.458 1.00 0.42 N ATOM 1775 CA TYR A 120 -12.491 -2.473 -3.268 1.00 0.41 C ATOM 1776 C TYR A 120 -12.282 -3.834 -2.636 1.00 0.43 C ATOM 1777 O TYR A 120 -11.523 -4.666 -3.142 1.00 0.60 O ATOM 1778 CB TYR A 120 -13.981 -2.222 -3.555 1.00 0.48 C ATOM 1779 CG TYR A 120 -14.695 -3.287 -4.361 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -15.277 -4.385 -3.741 1.00 0.61 C ATOM 1781 CD2 TYR A 120 -14.751 -3.212 -5.751 1.00 0.63 C ATOM 1782 CE1 TYR A 120 -15.893 -5.379 -4.479 1.00 0.71 C ATOM 1783 CE2 TYR A 120 -15.371 -4.195 -6.493 1.00 0.73 C ATOM 1784 CZ TYR A 120 -16.071 -5.205 -5.829 1.00 0.78 C ATOM 1785 OH TYR A 120 -16.541 -6.266 -6.597 1.00 0.89 O ATOM 0 H TYR A 120 -12.038 -2.830 -5.279 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.171 -1.706 -2.563 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.499 -2.108 -2.603 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -14.073 -1.273 -4.083 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -15.248 -4.464 -2.664 1.00 0.61 H new ATOM 0 HD2 TYR A 120 -14.301 -2.370 -6.256 1.00 0.63 H new ATOM 0 HE1 TYR A 120 -16.231 -6.285 -3.997 1.00 0.71 H new ATOM 0 HE2 TYR A 120 -15.316 -4.184 -7.572 1.00 0.73 H new ATOM 0 HH TYR A 120 -16.614 -5.985 -7.533 1.00 0.89 H new ATOM 1795 N TRP A 121 -12.942 -4.037 -1.524 1.00 0.39 N ATOM 1796 CA TRP A 121 -12.833 -5.256 -0.760 1.00 0.40 C ATOM 1797 C TRP A 121 -14.183 -5.530 -0.097 1.00 0.48 C ATOM 1798 O TRP A 121 -14.927 -4.596 0.201 1.00 0.53 O ATOM 1799 CB TRP A 121 -11.698 -5.101 0.274 1.00 0.43 C ATOM 1800 CG TRP A 121 -11.815 -6.010 1.455 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -12.756 -5.929 2.423 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -10.974 -7.109 1.812 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -12.587 -6.917 3.337 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -11.500 -7.650 2.997 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -9.842 -7.700 1.253 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -10.941 -8.739 3.628 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -9.287 -8.791 1.895 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -9.840 -9.296 3.065 1.00 0.51 C ATOM 0 H TRP A 121 -13.579 -3.352 -1.118 1.00 0.39 H new ATOM 0 HA TRP A 121 -12.586 -6.105 -1.397 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -10.744 -5.287 -0.220 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -11.680 -4.069 0.625 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -13.534 -5.181 2.463 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -13.182 -7.081 4.149 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -9.410 -7.315 0.341 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -11.364 -9.135 4.539 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -8.407 -9.260 1.479 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -9.382 -10.153 3.538 1.00 0.51 H new ATOM 1819 N ALA A 122 -14.506 -6.799 0.101 1.00 0.57 N ATOM 1820 CA ALA A 122 -15.715 -7.174 0.808 1.00 0.73 C ATOM 1821 C ALA A 122 -15.400 -8.149 1.942 1.00 0.90 C ATOM 1822 O ALA A 122 -14.502 -8.989 1.814 1.00 1.42 O ATOM 1823 CB ALA A 122 -16.722 -7.785 -0.154 1.00 0.94 C ATOM 0 H ALA A 122 -13.944 -7.587 -0.220 1.00 0.57 H new ATOM 0 HA ALA A 122 -16.150 -6.275 1.244 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -17.624 -8.062 0.391 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -16.973 -7.059 -0.927 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -16.291 -8.673 -0.616 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.137 -8.009 3.046 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.046 -8.908 4.204 1.00 0.97 C ATOM 1831 C LYS A 123 -14.778 -8.642 5.018 1.00 0.83 C ATOM 1832 O LYS A 123 -14.366 -7.492 5.164 1.00 0.86 O ATOM 1833 CB LYS A 123 -16.127 -10.374 3.765 1.00 1.10 C ATOM 1834 CG LYS A 123 -17.379 -10.691 2.956 1.00 1.83 C ATOM 1835 CD LYS A 123 -18.646 -10.310 3.705 1.00 1.97 C ATOM 1836 CE LYS A 123 -19.878 -10.476 2.830 1.00 2.89 C ATOM 1837 NZ LYS A 123 -20.080 -11.888 2.410 1.00 3.47 N ATOM 0 H LYS A 123 -16.821 -7.262 3.165 1.00 0.84 H new ATOM 0 HA LYS A 123 -16.898 -8.704 4.852 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -15.247 -10.617 3.170 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -16.102 -11.013 4.648 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -17.343 -10.157 2.007 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -17.401 -11.755 2.722 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -18.744 -10.930 4.596 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -18.574 -9.276 4.043 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -20.757 -10.131 3.374 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -19.782 -9.846 1.946 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -20.983 -11.973 1.902 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -19.302 -12.179 1.784 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -20.096 -12.501 3.250 1.00 3.47 H new ATOM 1851 N ASP A 124 -14.171 -9.686 5.576 1.00 0.82 N ATOM 1852 CA ASP A 124 -12.981 -9.502 6.403 1.00 0.81 C ATOM 1853 C ASP A 124 -12.051 -10.713 6.357 1.00 0.71 C ATOM 1854 O ASP A 124 -12.456 -11.841 6.633 1.00 0.74 O ATOM 1855 CB ASP A 124 -13.370 -9.178 7.855 1.00 1.07 C ATOM 1856 CG ASP A 124 -14.094 -10.314 8.560 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -15.176 -10.725 8.085 1.00 2.02 O ATOM 1858 OD2 ASP A 124 -13.592 -10.792 9.599 1.00 2.08 O ATOM 0 H ASP A 124 -14.477 -10.654 5.474 1.00 0.82 H new ATOM 0 HA ASP A 124 -12.433 -8.656 5.987 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -12.470 -8.929 8.416 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -14.006 -8.293 7.863 1.00 1.07 H new ATOM 1863 N ASN A 125 -10.802 -10.450 5.963 1.00 0.70 N ATOM 1864 CA ASN A 125 -9.706 -11.435 5.954 1.00 0.73 C ATOM 1865 C ASN A 125 -9.878 -12.549 4.912 1.00 0.73 C ATOM 1866 O ASN A 125 -8.891 -13.077 4.406 1.00 0.91 O ATOM 1867 CB ASN A 125 -9.514 -12.021 7.349 1.00 0.87 C ATOM 1868 CG ASN A 125 -8.454 -13.105 7.396 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -8.754 -14.291 7.265 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -7.208 -12.705 7.584 1.00 2.40 N ATOM 0 H ASN A 125 -10.514 -9.529 5.634 1.00 0.70 H new ATOM 0 HA ASN A 125 -8.809 -10.892 5.657 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -9.240 -11.222 8.038 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -10.461 -12.432 7.698 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -6.453 -13.390 7.625 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -7.001 -11.712 7.688 1.00 2.40 H new ATOM 1877 N LYS A 126 -11.120 -12.880 4.572 1.00 0.66 N ATOM 1878 CA LYS A 126 -11.414 -13.914 3.573 1.00 0.76 C ATOM 1879 C LYS A 126 -10.924 -13.495 2.182 1.00 0.76 C ATOM 1880 O LYS A 126 -11.045 -14.243 1.210 1.00 1.09 O ATOM 1881 CB LYS A 126 -12.920 -14.210 3.551 1.00 0.84 C ATOM 1882 CG LYS A 126 -13.778 -13.086 2.982 1.00 0.82 C ATOM 1883 CD LYS A 126 -14.180 -13.372 1.544 1.00 0.88 C ATOM 1884 CE LYS A 126 -15.037 -12.259 0.967 1.00 1.39 C ATOM 1885 NZ LYS A 126 -15.452 -12.545 -0.431 1.00 1.96 N ATOM 0 H LYS A 126 -11.950 -12.445 4.976 1.00 0.66 H new ATOM 0 HA LYS A 126 -10.880 -14.823 3.852 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -13.091 -15.113 2.965 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -13.250 -14.423 4.568 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -14.672 -12.962 3.594 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -13.227 -12.146 3.028 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -13.285 -13.495 0.934 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -14.728 -14.313 1.500 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -15.923 -12.124 1.588 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -14.482 -11.321 0.996 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -16.035 -11.761 -0.787 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -14.608 -12.648 -1.029 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -16.004 -13.426 -0.456 1.00 1.96 H new ATOM 1899 N GLN A 127 -10.397 -12.279 2.113 1.00 0.63 N ATOM 1900 CA GLN A 127 -9.852 -11.709 0.893 1.00 0.64 C ATOM 1901 C GLN A 127 -10.948 -11.475 -0.131 1.00 0.63 C ATOM 1902 O GLN A 127 -10.994 -12.115 -1.179 1.00 0.91 O ATOM 1903 CB GLN A 127 -8.730 -12.578 0.323 1.00 0.79 C ATOM 1904 CG GLN A 127 -7.935 -11.898 -0.780 1.00 1.28 C ATOM 1905 CD GLN A 127 -6.703 -12.692 -1.171 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -6.115 -13.391 -0.347 1.00 2.02 O ATOM 1907 NE2 GLN A 127 -6.306 -12.596 -2.429 1.00 1.62 N ATOM 0 H GLN A 127 -10.337 -11.654 2.917 1.00 0.63 H new ATOM 0 HA GLN A 127 -9.416 -10.742 1.142 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -8.052 -12.856 1.130 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -9.159 -13.502 -0.066 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -8.572 -11.764 -1.655 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -7.635 -10.904 -0.449 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -6.820 -12.006 -3.083 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -5.485 -13.112 -2.746 1.00 1.62 H new ATOM 1916 N GLY A 128 -11.843 -10.551 0.190 1.00 0.50 N ATOM 1917 CA GLY A 128 -12.888 -10.197 -0.737 1.00 0.50 C ATOM 1918 C GLY A 128 -12.468 -9.055 -1.629 1.00 0.45 C ATOM 1919 O GLY A 128 -13.210 -8.102 -1.824 1.00 0.77 O ATOM 0 H GLY A 128 -11.861 -10.044 1.075 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -13.144 -11.063 -1.348 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -13.787 -9.919 -0.186 1.00 0.50 H new ATOM 1923 N PHE A 129 -11.272 -9.153 -2.175 1.00 0.61 N ATOM 1924 CA PHE A 129 -10.674 -8.043 -2.892 1.00 0.63 C ATOM 1925 C PHE A 129 -11.109 -8.045 -4.362 1.00 0.58 C ATOM 1926 O PHE A 129 -11.307 -9.102 -4.958 1.00 0.63 O ATOM 1927 CB PHE A 129 -9.141 -8.132 -2.788 1.00 0.72 C ATOM 1928 CG PHE A 129 -8.498 -9.014 -3.826 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -8.659 -10.390 -3.794 1.00 1.02 C ATOM 1930 CD2 PHE A 129 -7.734 -8.455 -4.840 1.00 0.75 C ATOM 1931 CE1 PHE A 129 -8.070 -11.191 -4.753 1.00 1.21 C ATOM 1932 CE2 PHE A 129 -7.143 -9.252 -5.800 1.00 0.89 C ATOM 1933 CZ PHE A 129 -7.312 -10.621 -5.758 1.00 1.14 C ATOM 0 H PHE A 129 -10.693 -9.992 -2.136 1.00 0.61 H new ATOM 0 HA PHE A 129 -11.014 -7.110 -2.443 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -8.724 -7.128 -2.873 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -8.877 -8.504 -1.798 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -9.251 -10.841 -3.011 1.00 1.02 H new ATOM 0 HD2 PHE A 129 -7.600 -7.384 -4.879 1.00 0.75 H new ATOM 0 HE1 PHE A 129 -8.202 -12.262 -4.717 1.00 1.21 H new ATOM 0 HE2 PHE A 129 -6.549 -8.805 -6.583 1.00 0.89 H new ATOM 0 HZ PHE A 129 -6.853 -11.246 -6.509 1.00 1.14 H new ATOM 1943 N THR A 130 -11.286 -6.861 -4.933 1.00 0.61 N ATOM 1944 CA THR A 130 -11.565 -6.731 -6.360 1.00 0.63 C ATOM 1945 C THR A 130 -11.018 -5.404 -6.891 1.00 0.60 C ATOM 1946 O THR A 130 -11.209 -4.362 -6.264 1.00 0.67 O ATOM 1947 CB THR A 130 -13.081 -6.821 -6.637 1.00 0.73 C ATOM 1948 OG1 THR A 130 -13.603 -8.033 -6.080 1.00 1.47 O ATOM 1949 CG2 THR A 130 -13.379 -6.779 -8.132 1.00 0.90 C ATOM 0 H THR A 130 -11.242 -5.975 -4.430 1.00 0.61 H new ATOM 0 HA THR A 130 -11.070 -7.554 -6.876 1.00 0.63 H new ATOM 0 HB THR A 130 -13.559 -5.960 -6.170 1.00 0.73 H new ATOM 0 HG1 THR A 130 -14.566 -8.086 -6.256 1.00 1.47 H new ATOM 0 HG21 THR A 130 -14.455 -6.845 -8.290 1.00 0.90 H new ATOM 0 HG22 THR A 130 -13.007 -5.844 -8.551 1.00 0.90 H new ATOM 0 HG23 THR A 130 -12.888 -7.618 -8.625 1.00 0.90 H new ATOM 1957 N PRO A 131 -10.295 -5.429 -8.026 1.00 0.63 N ATOM 1958 CA PRO A 131 -9.752 -4.213 -8.649 1.00 0.65 C ATOM 1959 C PRO A 131 -10.846 -3.217 -9.029 1.00 0.63 C ATOM 1960 O PRO A 131 -11.859 -3.591 -9.619 1.00 0.75 O ATOM 1961 CB PRO A 131 -9.041 -4.731 -9.905 1.00 0.80 C ATOM 1962 CG PRO A 131 -8.796 -6.178 -9.640 1.00 0.92 C ATOM 1963 CD PRO A 131 -9.942 -6.639 -8.789 1.00 0.75 C ATOM 0 HA PRO A 131 -9.095 -3.671 -7.969 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -9.657 -4.591 -10.793 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -8.106 -4.198 -10.078 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -8.748 -6.743 -10.571 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -7.845 -6.326 -9.128 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -10.777 -6.993 -9.394 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -9.653 -7.460 -8.133 1.00 0.75 H new ATOM 1971 N SER A 132 -10.639 -1.955 -8.675 1.00 0.55 N ATOM 1972 CA SER A 132 -11.616 -0.913 -8.946 1.00 0.57 C ATOM 1973 C SER A 132 -10.938 0.453 -8.991 1.00 0.56 C ATOM 1974 O SER A 132 -10.721 1.089 -7.953 1.00 0.73 O ATOM 1975 CB SER A 132 -12.716 -0.925 -7.885 1.00 0.64 C ATOM 1976 OG SER A 132 -13.776 -0.048 -8.227 1.00 1.52 O ATOM 0 H SER A 132 -9.799 -1.629 -8.197 1.00 0.55 H new ATOM 0 HA SER A 132 -12.069 -1.108 -9.918 1.00 0.57 H new ATOM 0 HB2 SER A 132 -13.102 -1.938 -7.771 1.00 0.64 H new ATOM 0 HB3 SER A 132 -12.297 -0.633 -6.922 1.00 0.64 H new ATOM 0 HG SER A 132 -13.935 0.576 -7.489 1.00 1.52 H new ATOM 1982 N GLY A 133 -10.589 0.893 -10.187 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.913 2.160 -10.340 1.00 0.57 C ATOM 1984 C GLY A 133 -8.675 2.046 -11.203 1.00 0.62 C ATOM 1985 O GLY A 133 -8.774 1.973 -12.428 1.00 1.17 O ATOM 0 H GLY A 133 -10.763 0.392 -11.059 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -10.597 2.884 -10.783 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -9.635 2.543 -9.358 1.00 0.57 H new ATOM 1989 N THR A 134 -7.507 2.031 -10.572 1.00 0.62 N ATOM 1990 CA THR A 134 -6.245 1.945 -11.296 1.00 0.97 C ATOM 1991 C THR A 134 -5.171 1.279 -10.435 1.00 0.68 C ATOM 1992 O THR A 134 -5.186 1.403 -9.210 1.00 0.95 O ATOM 1993 CB THR A 134 -5.758 3.346 -11.724 1.00 1.77 C ATOM 1994 OG1 THR A 134 -6.832 4.069 -12.332 1.00 2.38 O ATOM 1995 CG2 THR A 134 -4.598 3.256 -12.707 1.00 2.47 C ATOM 0 H THR A 134 -7.408 2.077 -9.558 1.00 0.62 H new ATOM 0 HA THR A 134 -6.418 1.341 -12.187 1.00 0.97 H new ATOM 0 HB THR A 134 -5.414 3.866 -10.830 1.00 1.77 H new ATOM 0 HG1 THR A 134 -6.532 4.443 -13.187 1.00 2.38 H new ATOM 0 HG21 THR A 134 -4.280 4.260 -12.987 1.00 2.47 H new ATOM 0 HG22 THR A 134 -3.766 2.729 -12.240 1.00 2.47 H new ATOM 0 HG23 THR A 134 -4.917 2.714 -13.598 1.00 2.47 H new ATOM 2003 N THR A 135 -4.266 0.552 -11.079 1.00 0.72 N ATOM 2004 CA THR A 135 -3.122 -0.034 -10.401 1.00 0.70 C ATOM 2005 C THR A 135 -1.876 0.817 -10.664 1.00 0.64 C ATOM 2006 O THR A 135 -1.557 1.114 -11.814 1.00 0.88 O ATOM 2007 CB THR A 135 -2.882 -1.477 -10.893 1.00 1.08 C ATOM 2008 OG1 THR A 135 -4.095 -2.237 -10.786 1.00 1.82 O ATOM 2009 CG2 THR A 135 -1.784 -2.157 -10.090 1.00 1.27 C ATOM 0 H THR A 135 -4.306 0.354 -12.079 1.00 0.72 H new ATOM 0 HA THR A 135 -3.325 -0.061 -9.330 1.00 0.70 H new ATOM 0 HB THR A 135 -2.567 -1.430 -11.935 1.00 1.08 H new ATOM 0 HG1 THR A 135 -3.937 -3.151 -11.101 1.00 1.82 H new ATOM 0 HG21 THR A 135 -1.638 -3.172 -10.460 1.00 1.27 H new ATOM 0 HG22 THR A 135 -0.856 -1.595 -10.195 1.00 1.27 H new ATOM 0 HG23 THR A 135 -2.070 -2.192 -9.039 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.181 1.215 -9.607 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.022 2.077 -9.769 1.00 0.58 C ATOM 2019 C GLY A 136 1.181 1.583 -8.994 1.00 0.45 C ATOM 2020 O GLY A 136 1.044 1.092 -7.875 1.00 0.67 O ATOM 0 H GLY A 136 -1.396 0.959 -8.643 1.00 0.52 H new ATOM 0 HA2 GLY A 136 0.233 2.142 -10.827 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.274 3.085 -9.439 1.00 0.58 H new ATOM 2024 N THR A 137 2.362 1.705 -9.584 1.00 0.38 N ATOM 2025 CA THR A 137 3.584 1.271 -8.931 1.00 0.33 C ATOM 2026 C THR A 137 4.251 2.430 -8.199 1.00 0.33 C ATOM 2027 O THR A 137 4.553 3.467 -8.793 1.00 0.39 O ATOM 2028 CB THR A 137 4.581 0.676 -9.947 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.965 -0.410 -10.654 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.840 0.177 -9.250 1.00 0.50 C ATOM 0 H THR A 137 2.497 2.101 -10.514 1.00 0.38 H new ATOM 0 HA THR A 137 3.307 0.500 -8.212 1.00 0.33 H new ATOM 0 HB THR A 137 4.861 1.462 -10.648 1.00 0.42 H new ATOM 0 HG1 THR A 137 4.021 -1.226 -10.114 1.00 0.58 H new ATOM 0 HG21 THR A 137 6.525 -0.237 -9.989 1.00 0.50 H new ATOM 0 HG22 THR A 137 6.322 1.006 -8.733 1.00 0.50 H new ATOM 0 HG23 THR A 137 5.574 -0.596 -8.528 1.00 0.50 H new ATOM 2038 N THR A 138 4.464 2.253 -6.908 1.00 0.32 N ATOM 2039 CA THR A 138 5.215 3.211 -6.128 1.00 0.36 C ATOM 2040 C THR A 138 6.696 2.879 -6.250 1.00 0.37 C ATOM 2041 O THR A 138 7.133 1.800 -5.848 1.00 0.38 O ATOM 2042 CB THR A 138 4.786 3.183 -4.650 1.00 0.39 C ATOM 2043 OG1 THR A 138 3.359 3.298 -4.562 1.00 0.40 O ATOM 2044 CG2 THR A 138 5.438 4.317 -3.870 1.00 0.52 C ATOM 0 H THR A 138 4.125 1.450 -6.378 1.00 0.32 H new ATOM 0 HA THR A 138 5.020 4.214 -6.508 1.00 0.36 H new ATOM 0 HB THR A 138 5.109 2.237 -4.216 1.00 0.39 H new ATOM 0 HG1 THR A 138 3.087 3.278 -3.621 1.00 0.40 H new ATOM 0 HG21 THR A 138 5.118 4.274 -2.829 1.00 0.52 H new ATOM 0 HG22 THR A 138 6.522 4.217 -3.921 1.00 0.52 H new ATOM 0 HG23 THR A 138 5.141 5.273 -4.301 1.00 0.52 H new ATOM 2052 N LYS A 139 7.458 3.773 -6.849 1.00 0.41 N ATOM 2053 CA LYS A 139 8.865 3.515 -7.082 1.00 0.44 C ATOM 2054 C LYS A 139 9.707 4.229 -6.044 1.00 0.44 C ATOM 2055 O LYS A 139 9.771 5.458 -6.010 1.00 0.49 O ATOM 2056 CB LYS A 139 9.264 3.944 -8.493 1.00 0.53 C ATOM 2057 CG LYS A 139 10.646 3.453 -8.910 1.00 0.59 C ATOM 2058 CD LYS A 139 10.688 1.937 -9.065 1.00 1.21 C ATOM 2059 CE LYS A 139 9.739 1.449 -10.153 1.00 1.33 C ATOM 2060 NZ LYS A 139 10.084 1.999 -11.493 1.00 2.18 N ATOM 0 H LYS A 139 7.129 4.679 -7.181 1.00 0.41 H new ATOM 0 HA LYS A 139 9.042 2.443 -6.992 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.525 3.569 -9.201 1.00 0.53 H new ATOM 0 HB3 LYS A 139 9.240 5.032 -8.554 1.00 0.53 H new ATOM 0 HG2 LYS A 139 10.929 3.922 -9.852 1.00 0.59 H new ATOM 0 HG3 LYS A 139 11.381 3.762 -8.167 1.00 0.59 H new ATOM 0 HD2 LYS A 139 11.705 1.625 -9.304 1.00 1.21 H new ATOM 0 HD3 LYS A 139 10.425 1.468 -8.117 1.00 1.21 H new ATOM 0 HE2 LYS A 139 9.764 0.360 -10.192 1.00 1.33 H new ATOM 0 HE3 LYS A 139 8.719 1.735 -9.897 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 9.524 1.513 -12.222 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 9.873 3.017 -11.515 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 11.097 1.852 -11.679 1.00 2.18 H new ATOM 2074 N LEU A 140 10.332 3.440 -5.194 1.00 0.45 N ATOM 2075 CA LEU A 140 11.147 3.958 -4.116 1.00 0.44 C ATOM 2076 C LEU A 140 12.633 3.704 -4.400 1.00 0.39 C ATOM 2077 O LEU A 140 13.143 2.596 -4.215 1.00 0.40 O ATOM 2078 CB LEU A 140 10.699 3.321 -2.789 1.00 0.46 C ATOM 2079 CG LEU A 140 11.733 3.307 -1.668 1.00 0.53 C ATOM 2080 CD1 LEU A 140 12.131 4.720 -1.265 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.203 2.540 -0.472 1.00 0.62 C ATOM 0 H LEU A 140 10.289 2.422 -5.232 1.00 0.45 H new ATOM 0 HA LEU A 140 11.015 5.037 -4.038 1.00 0.44 H new ATOM 0 HB2 LEU A 140 9.816 3.852 -2.434 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.394 2.293 -2.987 1.00 0.46 H new ATOM 0 HG LEU A 140 12.626 2.804 -2.039 1.00 0.53 H new ATOM 0 HD11 LEU A 140 12.869 4.676 -0.464 1.00 0.63 H new ATOM 0 HD12 LEU A 140 12.559 5.237 -2.124 1.00 0.63 H new ATOM 0 HD13 LEU A 140 11.251 5.261 -0.918 1.00 0.63 H new ATOM 0 HD21 LEU A 140 11.952 2.538 0.320 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.292 3.016 -0.109 1.00 0.62 H new ATOM 0 HD23 LEU A 140 10.984 1.514 -0.766 1.00 0.62 H new ATOM 2093 N THR A 141 13.314 4.734 -4.869 1.00 0.39 N ATOM 2094 CA THR A 141 14.730 4.644 -5.186 1.00 0.38 C ATOM 2095 C THR A 141 15.559 5.083 -3.981 1.00 0.34 C ATOM 2096 O THR A 141 15.147 5.970 -3.239 1.00 0.40 O ATOM 2097 CB THR A 141 15.071 5.524 -6.407 1.00 0.48 C ATOM 2098 OG1 THR A 141 14.175 5.224 -7.486 1.00 0.58 O ATOM 2099 CG2 THR A 141 16.503 5.298 -6.866 1.00 0.54 C ATOM 0 H THR A 141 12.905 5.652 -5.041 1.00 0.39 H new ATOM 0 HA THR A 141 14.967 3.608 -5.429 1.00 0.38 H new ATOM 0 HB THR A 141 14.963 6.568 -6.111 1.00 0.48 H new ATOM 0 HG1 THR A 141 14.394 5.786 -8.259 1.00 0.58 H new ATOM 0 HG21 THR A 141 16.713 5.932 -7.727 1.00 0.54 H new ATOM 0 HG22 THR A 141 17.188 5.548 -6.056 1.00 0.54 H new ATOM 0 HG23 THR A 141 16.635 4.252 -7.144 1.00 0.54 H new ATOM 2107 N VAL A 142 16.698 4.438 -3.758 1.00 0.44 N ATOM 2108 CA VAL A 142 17.554 4.790 -2.629 1.00 0.57 C ATOM 2109 C VAL A 142 18.247 6.141 -2.823 1.00 0.77 C ATOM 2110 O VAL A 142 18.784 6.442 -3.893 1.00 1.10 O ATOM 2111 CB VAL A 142 18.612 3.702 -2.350 1.00 0.80 C ATOM 2112 CG1 VAL A 142 19.479 3.450 -3.574 1.00 1.69 C ATOM 2113 CG2 VAL A 142 19.474 4.078 -1.153 1.00 1.74 C ATOM 0 H VAL A 142 17.049 3.675 -4.337 1.00 0.44 H new ATOM 0 HA VAL A 142 16.892 4.866 -1.766 1.00 0.57 H new ATOM 0 HB VAL A 142 18.083 2.778 -2.116 1.00 0.80 H new ATOM 0 HG11 VAL A 142 20.215 2.679 -3.346 1.00 1.69 H new ATOM 0 HG12 VAL A 142 18.852 3.120 -4.402 1.00 1.69 H new ATOM 0 HG13 VAL A 142 19.993 4.370 -3.852 1.00 1.69 H new ATOM 0 HG21 VAL A 142 20.212 3.296 -0.976 1.00 1.74 H new ATOM 0 HG22 VAL A 142 19.984 5.020 -1.354 1.00 1.74 H new ATOM 0 HG23 VAL A 142 18.843 4.188 -0.271 1.00 1.74 H new ATOM 2123 N THR A 143 18.188 6.959 -1.781 1.00 0.85 N ATOM 2124 CA THR A 143 18.910 8.216 -1.718 1.00 1.18 C ATOM 2125 C THR A 143 19.158 8.579 -0.252 1.00 1.82 C ATOM 2126 O THR A 143 18.192 8.962 0.442 1.00 2.22 O ATOM 2127 CB THR A 143 18.144 9.353 -2.429 1.00 1.54 C ATOM 2128 OG1 THR A 143 17.918 9.000 -3.801 1.00 2.04 O ATOM 2129 CG2 THR A 143 18.921 10.660 -2.368 1.00 1.94 C ATOM 2130 OXT THR A 143 20.311 8.444 0.206 1.00 2.58 O ATOM 0 H THR A 143 17.631 6.764 -0.949 1.00 0.85 H new ATOM 0 HA THR A 143 19.861 8.094 -2.237 1.00 1.18 H new ATOM 0 HB THR A 143 17.191 9.491 -1.918 1.00 1.54 H new ATOM 0 HG1 THR A 143 18.332 8.131 -3.988 1.00 2.04 H new ATOM 0 HG21 THR A 143 18.358 11.442 -2.877 1.00 1.94 H new ATOM 0 HG22 THR A 143 19.076 10.943 -1.327 1.00 1.94 H new ATOM 0 HG23 THR A 143 19.887 10.532 -2.857 1.00 1.94 H new