USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 hydrogens (33 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 17 SER OG : rot 158:sc= 1.28 USER MOD Set 1.2: A 48 THR OG1 : rot 61:sc= 1.9 USER MOD Single : A 1 MET CE :methyl -169:sc= -2.2! (180deg=-2.63!) USER MOD Single : A 1 MET N :NH3+ -156:sc= 1.27 (180deg=0.587) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -69:sc= 1.19 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.305 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 175:sc= -1.47! USER MOD Single : A 46 MET CE :methyl 156:sc= -0.261 (180deg=-0.962) USER MOD Single : A 54 SER OG : rot 79:sc= 0.0325 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.634 USER MOD Single : A 79 ASN : amide:sc= -0.583 X(o=-0.58,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.401 -2.144 -1.822 1.00 4.11 N ATOM 2 CA MET A 1 20.490 -1.503 -1.094 1.00 3.57 C ATOM 3 C MET A 1 20.769 -2.220 0.238 1.00 2.82 C ATOM 4 O MET A 1 21.903 -2.244 0.691 1.00 3.20 O ATOM 5 CB MET A 1 20.200 -0.006 -0.845 1.00 4.13 C ATOM 6 CG MET A 1 19.151 0.292 0.221 1.00 4.73 C ATOM 7 SD MET A 1 17.538 -0.449 -0.104 1.00 5.41 S ATOM 8 CE MET A 1 16.662 0.072 1.371 1.00 6.05 C ATOM 0 H1 MET A 1 19.490 -1.933 -2.837 1.00 4.11 H new ATOM 0 H2 MET A 1 19.445 -3.173 -1.677 1.00 4.11 H new ATOM 0 H3 MET A 1 18.490 -1.783 -1.472 1.00 4.11 H new ATOM 0 HA MET A 1 21.380 -1.578 -1.718 1.00 3.57 H new ATOM 0 HB2 MET A 1 21.131 0.484 -0.560 1.00 4.13 H new ATOM 0 HB3 MET A 1 19.877 0.444 -1.784 1.00 4.13 H new ATOM 0 HG2 MET A 1 19.516 -0.066 1.184 1.00 4.73 H new ATOM 0 HG3 MET A 1 19.032 1.372 0.306 1.00 4.73 H new ATOM 0 HE1 MET A 1 15.711 -0.457 1.435 1.00 6.05 H new ATOM 0 HE2 MET A 1 17.264 -0.155 2.251 1.00 6.05 H new ATOM 0 HE3 MET A 1 16.478 1.145 1.325 1.00 6.05 H new ATOM 20 N ALA A 2 19.745 -2.831 0.857 1.00 2.27 N ATOM 21 CA ALA A 2 19.922 -3.491 2.155 1.00 2.03 C ATOM 22 C ALA A 2 18.763 -4.421 2.439 1.00 1.61 C ATOM 23 O ALA A 2 18.925 -5.638 2.508 1.00 2.08 O ATOM 24 CB ALA A 2 20.050 -2.467 3.278 1.00 2.71 C ATOM 0 H ALA A 2 18.798 -2.880 0.482 1.00 2.27 H new ATOM 0 HA ALA A 2 20.843 -4.072 2.110 1.00 2.03 H new ATOM 0 HB1 ALA A 2 20.180 -2.984 4.229 1.00 2.71 H new ATOM 0 HB2 ALA A 2 20.913 -1.828 3.091 1.00 2.71 H new ATOM 0 HB3 ALA A 2 19.148 -1.856 3.318 1.00 2.71 H new ATOM 30 N THR A 3 17.588 -3.858 2.563 1.00 1.31 N ATOM 31 CA THR A 3 16.408 -4.620 2.844 1.00 1.19 C ATOM 32 C THR A 3 15.253 -3.998 2.062 1.00 0.95 C ATOM 33 O THR A 3 15.083 -2.773 2.053 1.00 1.12 O ATOM 34 CB THR A 3 16.126 -4.659 4.394 1.00 1.56 C ATOM 35 OG1 THR A 3 15.019 -5.520 4.700 1.00 2.44 O ATOM 36 CG2 THR A 3 15.885 -3.269 4.986 1.00 2.02 C ATOM 0 H THR A 3 17.427 -2.855 2.471 1.00 1.31 H new ATOM 0 HA THR A 3 16.534 -5.657 2.532 1.00 1.19 H new ATOM 0 HB THR A 3 17.028 -5.060 4.855 1.00 1.56 H new ATOM 0 HG1 THR A 3 14.868 -5.527 5.668 1.00 2.44 H new ATOM 0 HG21 THR A 3 15.696 -3.357 6.056 1.00 2.02 H new ATOM 0 HG22 THR A 3 16.765 -2.646 4.823 1.00 2.02 H new ATOM 0 HG23 THR A 3 15.022 -2.812 4.502 1.00 2.02 H new ATOM 44 N LEU A 4 14.531 -4.815 1.331 1.00 0.80 N ATOM 45 CA LEU A 4 13.466 -4.330 0.503 1.00 0.65 C ATOM 46 C LEU A 4 12.152 -4.969 0.948 1.00 0.68 C ATOM 47 O LEU A 4 12.074 -6.199 1.074 1.00 0.86 O ATOM 48 CB LEU A 4 13.758 -4.675 -0.963 1.00 0.70 C ATOM 49 CG LEU A 4 12.884 -3.981 -2.001 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.147 -2.477 -1.981 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.138 -4.555 -3.389 1.00 1.01 C ATOM 0 H LEU A 4 14.668 -5.825 1.297 1.00 0.80 H new ATOM 0 HA LEU A 4 13.386 -3.247 0.599 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.799 -4.430 -1.172 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.652 -5.752 -1.090 1.00 0.70 H new ATOM 0 HG LEU A 4 11.837 -4.156 -1.752 1.00 0.69 H new ATOM 0 HD11 LEU A 4 12.519 -1.988 -2.725 1.00 0.70 H new ATOM 0 HD12 LEU A 4 12.915 -2.080 -0.993 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.196 -2.288 -2.210 1.00 0.70 H new ATOM 0 HD21 LEU A 4 12.504 -4.046 -4.115 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.185 -4.410 -3.657 1.00 1.01 H new ATOM 0 HD23 LEU A 4 12.907 -5.620 -3.390 1.00 1.01 H new ATOM 63 N LEU A 5 11.137 -4.137 1.194 1.00 0.60 N ATOM 64 CA LEU A 5 9.814 -4.607 1.648 1.00 0.64 C ATOM 65 C LEU A 5 9.192 -5.631 0.722 1.00 0.59 C ATOM 66 O LEU A 5 9.257 -5.509 -0.525 1.00 0.61 O ATOM 67 CB LEU A 5 8.816 -3.460 1.899 1.00 0.69 C ATOM 68 CG LEU A 5 8.875 -2.769 3.272 1.00 0.90 C ATOM 69 CD1 LEU A 5 10.172 -2.027 3.489 1.00 1.61 C ATOM 70 CD2 LEU A 5 7.691 -1.842 3.442 1.00 1.54 C ATOM 0 H LEU A 5 11.202 -3.125 1.087 1.00 0.60 H new ATOM 0 HA LEU A 5 10.018 -5.094 2.601 1.00 0.64 H new ATOM 0 HB2 LEU A 5 8.972 -2.702 1.132 1.00 0.69 H new ATOM 0 HB3 LEU A 5 7.808 -3.852 1.760 1.00 0.69 H new ATOM 0 HG LEU A 5 8.829 -3.550 4.031 1.00 0.90 H new ATOM 0 HD11 LEU A 5 10.162 -1.557 4.473 1.00 1.61 H new ATOM 0 HD12 LEU A 5 11.006 -2.726 3.429 1.00 1.61 H new ATOM 0 HD13 LEU A 5 10.285 -1.261 2.722 1.00 1.61 H new ATOM 0 HD21 LEU A 5 7.744 -1.359 4.418 1.00 1.54 H new ATOM 0 HD22 LEU A 5 7.708 -1.083 2.660 1.00 1.54 H new ATOM 0 HD23 LEU A 5 6.767 -2.415 3.371 1.00 1.54 H new ATOM 82 N THR A 6 8.604 -6.618 1.332 1.00 0.61 N ATOM 83 CA THR A 6 7.974 -7.700 0.655 1.00 0.63 C ATOM 84 C THR A 6 6.460 -7.485 0.595 1.00 0.57 C ATOM 85 O THR A 6 5.951 -6.429 1.004 1.00 0.59 O ATOM 86 CB THR A 6 8.291 -9.057 1.347 1.00 0.79 C ATOM 87 OG1 THR A 6 7.836 -9.037 2.716 1.00 0.95 O ATOM 88 CG2 THR A 6 9.783 -9.354 1.319 1.00 0.97 C ATOM 0 H THR A 6 8.551 -6.689 2.348 1.00 0.61 H new ATOM 0 HA THR A 6 8.369 -7.733 -0.360 1.00 0.63 H new ATOM 0 HB THR A 6 7.768 -9.839 0.797 1.00 0.79 H new ATOM 0 HG1 THR A 6 8.386 -8.413 3.234 1.00 0.95 H new ATOM 0 HG21 THR A 6 9.973 -10.308 1.810 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.125 -9.403 0.285 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.321 -8.563 1.842 1.00 0.97 H new ATOM 96 N THR A 7 5.752 -8.486 0.136 1.00 0.60 N ATOM 97 CA THR A 7 4.323 -8.435 0.040 1.00 0.59 C ATOM 98 C THR A 7 3.725 -8.585 1.452 1.00 0.53 C ATOM 99 O THR A 7 2.696 -7.975 1.787 1.00 0.56 O ATOM 100 CB THR A 7 3.862 -9.582 -0.872 1.00 0.69 C ATOM 101 OG1 THR A 7 4.642 -9.534 -2.080 1.00 0.90 O ATOM 102 CG2 THR A 7 2.386 -9.456 -1.234 1.00 0.81 C ATOM 0 H THR A 7 6.159 -9.365 -0.183 1.00 0.60 H new ATOM 0 HA THR A 7 3.990 -7.486 -0.380 1.00 0.59 H new ATOM 0 HB THR A 7 3.999 -10.525 -0.343 1.00 0.69 H new ATOM 0 HG1 THR A 7 4.365 -10.260 -2.677 1.00 0.90 H new ATOM 0 HG21 THR A 7 2.098 -10.285 -1.880 1.00 0.81 H new ATOM 0 HG22 THR A 7 1.785 -9.478 -0.325 1.00 0.81 H new ATOM 0 HG23 THR A 7 2.219 -8.514 -1.756 1.00 0.81 H new ATOM 110 N ASP A 8 4.420 -9.363 2.285 1.00 0.54 N ATOM 111 CA ASP A 8 4.023 -9.596 3.669 1.00 0.54 C ATOM 112 C ASP A 8 4.083 -8.287 4.445 1.00 0.52 C ATOM 113 O ASP A 8 3.184 -7.983 5.238 1.00 0.54 O ATOM 114 CB ASP A 8 4.938 -10.632 4.324 1.00 0.63 C ATOM 115 CG ASP A 8 4.451 -11.073 5.692 1.00 1.48 C ATOM 116 OD1 ASP A 8 4.715 -10.411 6.688 1.00 2.26 O ATOM 117 OD2 ASP A 8 3.793 -12.126 5.779 1.00 1.98 O ATOM 0 H ASP A 8 5.275 -9.849 2.015 1.00 0.54 H new ATOM 0 HA ASP A 8 3.003 -9.979 3.681 1.00 0.54 H new ATOM 0 HB2 ASP A 8 5.015 -11.503 3.674 1.00 0.63 H new ATOM 0 HB3 ASP A 8 5.941 -10.215 4.418 1.00 0.63 H new ATOM 122 N ASP A 9 5.126 -7.493 4.168 1.00 0.57 N ATOM 123 CA ASP A 9 5.309 -6.170 4.792 1.00 0.64 C ATOM 124 C ASP A 9 4.116 -5.291 4.542 1.00 0.59 C ATOM 125 O ASP A 9 3.570 -4.681 5.472 1.00 0.63 O ATOM 126 CB ASP A 9 6.555 -5.447 4.262 1.00 0.79 C ATOM 127 CG ASP A 9 7.852 -6.047 4.715 1.00 1.60 C ATOM 128 OD1 ASP A 9 8.324 -5.710 5.815 1.00 1.70 O ATOM 129 OD2 ASP A 9 8.411 -6.872 3.992 1.00 2.47 O ATOM 0 H ASP A 9 5.864 -7.745 3.510 1.00 0.57 H new ATOM 0 HA ASP A 9 5.430 -6.351 5.860 1.00 0.64 H new ATOM 0 HB2 ASP A 9 6.527 -5.450 3.172 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.519 -4.405 4.579 1.00 0.79 H new ATOM 134 N LEU A 10 3.691 -5.250 3.289 1.00 0.54 N ATOM 135 CA LEU A 10 2.563 -4.447 2.901 1.00 0.54 C ATOM 136 C LEU A 10 1.295 -4.929 3.578 1.00 0.53 C ATOM 137 O LEU A 10 0.520 -4.121 4.044 1.00 0.59 O ATOM 138 CB LEU A 10 2.369 -4.423 1.388 1.00 0.55 C ATOM 139 CG LEU A 10 1.212 -3.541 0.900 1.00 0.59 C ATOM 140 CD1 LEU A 10 1.443 -2.090 1.280 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.028 -3.671 -0.591 1.00 0.65 C ATOM 0 H LEU A 10 4.120 -5.771 2.525 1.00 0.54 H new ATOM 0 HA LEU A 10 2.775 -3.429 3.227 1.00 0.54 H new ATOM 0 HB2 LEU A 10 3.292 -4.077 0.923 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.201 -5.443 1.041 1.00 0.55 H new ATOM 0 HG LEU A 10 0.300 -3.884 1.389 1.00 0.59 H new ATOM 0 HD11 LEU A 10 0.610 -1.484 0.924 1.00 0.70 H new ATOM 0 HD12 LEU A 10 1.516 -2.005 2.364 1.00 0.70 H new ATOM 0 HD13 LEU A 10 2.369 -1.738 0.825 1.00 0.70 H new ATOM 0 HD21 LEU A 10 0.202 -3.036 -0.912 1.00 0.65 H new ATOM 0 HD22 LEU A 10 1.942 -3.362 -1.099 1.00 0.65 H new ATOM 0 HD23 LEU A 10 0.807 -4.709 -0.841 1.00 0.65 H new ATOM 153 N ARG A 11 1.111 -6.259 3.650 1.00 0.49 N ATOM 154 CA ARG A 11 -0.067 -6.857 4.306 1.00 0.50 C ATOM 155 C ARG A 11 -0.240 -6.305 5.715 1.00 0.54 C ATOM 156 O ARG A 11 -1.331 -5.917 6.104 1.00 0.63 O ATOM 157 CB ARG A 11 0.037 -8.401 4.349 1.00 0.51 C ATOM 158 CG ARG A 11 -1.131 -9.080 5.072 1.00 0.61 C ATOM 159 CD ARG A 11 -1.045 -10.605 5.043 1.00 0.72 C ATOM 160 NE ARG A 11 0.212 -11.126 5.623 1.00 0.96 N ATOM 161 CZ ARG A 11 0.299 -12.056 6.599 1.00 1.24 C ATOM 162 NH1 ARG A 11 -0.793 -12.461 7.254 1.00 1.65 N ATOM 163 NH2 ARG A 11 1.474 -12.551 6.932 1.00 1.80 N ATOM 0 H ARG A 11 1.763 -6.941 3.262 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.943 -6.590 3.715 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.090 -8.781 3.329 1.00 0.51 H new ATOM 0 HB3 ARG A 11 0.968 -8.679 4.842 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.155 -8.743 6.108 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -2.068 -8.766 4.612 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -1.891 -11.021 5.590 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -1.132 -10.948 4.012 1.00 0.72 H new ATOM 0 HE ARG A 11 1.087 -10.752 5.255 1.00 0.96 H new ATOM 0 HH11 ARG A 11 -1.704 -12.067 7.019 1.00 1.65 H new ATOM 0 HH12 ARG A 11 -0.715 -13.164 7.989 1.00 1.65 H new ATOM 0 HH21 ARG A 11 2.316 -12.232 6.453 1.00 1.80 H new ATOM 0 HH22 ARG A 11 1.541 -13.253 7.669 1.00 1.80 H new ATOM 177 N ARG A 12 0.859 -6.206 6.432 1.00 0.54 N ATOM 178 CA ARG A 12 0.855 -5.715 7.796 1.00 0.60 C ATOM 179 C ARG A 12 0.409 -4.251 7.876 1.00 0.58 C ATOM 180 O ARG A 12 -0.485 -3.917 8.648 1.00 0.66 O ATOM 181 CB ARG A 12 2.227 -5.920 8.445 1.00 0.68 C ATOM 182 CG ARG A 12 2.611 -7.388 8.570 1.00 0.80 C ATOM 183 CD ARG A 12 3.956 -7.585 9.247 1.00 0.96 C ATOM 184 NE ARG A 12 5.095 -7.102 8.456 1.00 1.50 N ATOM 185 CZ ARG A 12 6.283 -7.741 8.403 1.00 2.02 C ATOM 186 NH1 ARG A 12 6.418 -8.958 8.942 1.00 2.23 N ATOM 187 NH2 ARG A 12 7.307 -7.209 7.760 1.00 2.93 N ATOM 0 H ARG A 12 1.783 -6.464 6.086 1.00 0.54 H new ATOM 0 HA ARG A 12 0.123 -6.297 8.356 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.983 -5.401 7.856 1.00 0.68 H new ATOM 0 HB3 ARG A 12 2.226 -5.464 9.435 1.00 0.68 H new ATOM 0 HG2 ARG A 12 1.843 -7.914 9.137 1.00 0.80 H new ATOM 0 HG3 ARG A 12 2.639 -7.838 7.578 1.00 0.80 H new ATOM 0 HD2 ARG A 12 3.948 -7.069 10.207 1.00 0.96 H new ATOM 0 HD3 ARG A 12 4.095 -8.646 9.456 1.00 0.96 H new ATOM 0 HE ARG A 12 4.983 -6.241 7.920 1.00 1.50 H new ATOM 0 HH11 ARG A 12 5.622 -9.406 9.395 1.00 2.23 H new ATOM 0 HH12 ARG A 12 7.317 -9.438 8.900 1.00 2.23 H new ATOM 0 HH21 ARG A 12 7.205 -6.306 7.297 1.00 2.93 H new ATOM 0 HH22 ARG A 12 8.200 -7.701 7.727 1.00 2.93 H new ATOM 201 N ALA A 13 0.983 -3.404 7.037 1.00 0.54 N ATOM 202 CA ALA A 13 0.659 -1.976 7.065 1.00 0.58 C ATOM 203 C ALA A 13 -0.721 -1.696 6.473 1.00 0.56 C ATOM 204 O ALA A 13 -1.409 -0.752 6.887 1.00 0.65 O ATOM 205 CB ALA A 13 1.706 -1.189 6.333 1.00 0.66 C ATOM 0 H ALA A 13 1.670 -3.671 6.332 1.00 0.54 H new ATOM 0 HA ALA A 13 0.641 -1.664 8.109 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.452 -0.130 6.362 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.675 -1.343 6.808 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.753 -1.522 5.296 1.00 0.66 H new ATOM 211 N LEU A 14 -1.119 -2.512 5.508 1.00 0.53 N ATOM 212 CA LEU A 14 -2.413 -2.396 4.879 1.00 0.59 C ATOM 213 C LEU A 14 -3.511 -2.646 5.933 1.00 0.75 C ATOM 214 O LEU A 14 -4.510 -1.911 5.998 1.00 1.02 O ATOM 215 CB LEU A 14 -2.514 -3.406 3.725 1.00 0.54 C ATOM 216 CG LEU A 14 -3.677 -3.236 2.758 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.568 -1.919 2.017 1.00 0.62 C ATOM 218 CD2 LEU A 14 -3.734 -4.387 1.780 1.00 1.06 C ATOM 0 H LEU A 14 -0.547 -3.273 5.143 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.545 -1.395 4.469 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.588 -3.360 3.152 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.574 -4.406 4.154 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.600 -3.231 3.337 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -4.409 -1.817 1.331 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.582 -1.097 2.732 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.635 -1.895 1.454 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -4.573 -4.244 1.099 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.806 -4.426 1.210 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.864 -5.322 2.325 1.00 1.06 H new ATOM 230 N VAL A 15 -3.280 -3.652 6.794 1.00 0.71 N ATOM 231 CA VAL A 15 -4.200 -3.980 7.894 1.00 0.83 C ATOM 232 C VAL A 15 -4.338 -2.798 8.866 1.00 0.85 C ATOM 233 O VAL A 15 -5.443 -2.502 9.345 1.00 0.98 O ATOM 234 CB VAL A 15 -3.762 -5.276 8.674 1.00 0.89 C ATOM 235 CG1 VAL A 15 -4.628 -5.510 9.913 1.00 1.02 C ATOM 236 CG2 VAL A 15 -3.853 -6.492 7.769 1.00 0.91 C ATOM 0 H VAL A 15 -2.458 -4.255 6.747 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.170 -4.182 7.441 1.00 0.83 H new ATOM 0 HB VAL A 15 -2.731 -5.127 8.995 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -4.295 -6.413 10.424 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -4.538 -4.658 10.586 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -5.669 -5.626 9.612 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -3.547 -7.380 8.322 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -4.880 -6.614 7.426 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.197 -6.356 6.909 1.00 0.91 H new ATOM 246 N GLU A 16 -3.239 -2.097 9.114 1.00 0.81 N ATOM 247 CA GLU A 16 -3.248 -0.953 10.025 1.00 0.87 C ATOM 248 C GLU A 16 -4.193 0.150 9.510 1.00 0.89 C ATOM 249 O GLU A 16 -4.875 0.820 10.288 1.00 1.05 O ATOM 250 CB GLU A 16 -1.829 -0.393 10.253 1.00 0.91 C ATOM 251 CG GLU A 16 -0.815 -1.426 10.742 1.00 1.00 C ATOM 252 CD GLU A 16 0.486 -0.810 11.227 1.00 1.30 C ATOM 253 OE1 GLU A 16 1.367 -0.488 10.418 1.00 1.90 O ATOM 254 OE2 GLU A 16 0.634 -0.615 12.463 1.00 1.91 O ATOM 0 H GLU A 16 -2.329 -2.298 8.699 1.00 0.81 H new ATOM 0 HA GLU A 16 -3.620 -1.306 10.987 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -1.468 0.040 9.320 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -1.884 0.417 10.980 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -1.259 -2.005 11.552 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -0.599 -2.124 9.933 1.00 1.00 H new ATOM 261 N SER A 17 -4.270 0.280 8.198 1.00 0.82 N ATOM 262 CA SER A 17 -5.131 1.262 7.570 1.00 0.93 C ATOM 263 C SER A 17 -6.524 0.696 7.245 1.00 1.03 C ATOM 264 O SER A 17 -7.356 1.367 6.637 1.00 1.22 O ATOM 265 CB SER A 17 -4.444 1.812 6.317 1.00 0.96 C ATOM 266 OG SER A 17 -3.903 0.756 5.510 1.00 1.58 O ATOM 0 H SER A 17 -3.739 -0.291 7.541 1.00 0.82 H new ATOM 0 HA SER A 17 -5.294 2.076 8.277 1.00 0.93 H new ATOM 0 HB2 SER A 17 -5.160 2.389 5.732 1.00 0.96 H new ATOM 0 HB3 SER A 17 -3.646 2.495 6.608 1.00 0.96 H new ATOM 0 HG SER A 17 -3.799 1.070 4.587 1.00 1.58 H new ATOM 272 N ALA A 18 -6.767 -0.540 7.643 1.00 1.04 N ATOM 273 CA ALA A 18 -8.053 -1.161 7.411 1.00 1.24 C ATOM 274 C ALA A 18 -8.966 -0.861 8.577 1.00 1.43 C ATOM 275 O ALA A 18 -10.106 -0.440 8.403 1.00 1.88 O ATOM 276 CB ALA A 18 -7.910 -2.662 7.219 1.00 1.25 C ATOM 0 H ALA A 18 -6.091 -1.130 8.127 1.00 1.04 H new ATOM 0 HA ALA A 18 -8.483 -0.753 6.496 1.00 1.24 H new ATOM 0 HB1 ALA A 18 -8.892 -3.102 7.047 1.00 1.25 H new ATOM 0 HB2 ALA A 18 -7.268 -2.859 6.360 1.00 1.25 H new ATOM 0 HB3 ALA A 18 -7.467 -3.102 8.112 1.00 1.25 H new ATOM 282 N GLY A 19 -8.454 -1.061 9.763 1.00 1.86 N ATOM 283 CA GLY A 19 -9.211 -0.781 10.936 1.00 2.13 C ATOM 284 C GLY A 19 -9.719 -2.033 11.593 1.00 2.09 C ATOM 285 O GLY A 19 -8.935 -2.885 12.016 1.00 2.45 O ATOM 0 H GLY A 19 -7.514 -1.418 9.933 1.00 1.86 H new ATOM 0 HA2 GLY A 19 -8.593 -0.227 11.642 1.00 2.13 H new ATOM 0 HA3 GLY A 19 -10.054 -0.140 10.679 1.00 2.13 H new ATOM 289 N GLU A 20 -11.016 -2.169 11.651 1.00 2.13 N ATOM 290 CA GLU A 20 -11.639 -3.278 12.342 1.00 2.46 C ATOM 291 C GLU A 20 -12.745 -3.917 11.516 1.00 2.48 C ATOM 292 O GLU A 20 -13.521 -4.732 12.030 1.00 3.18 O ATOM 293 CB GLU A 20 -12.176 -2.851 13.732 1.00 3.09 C ATOM 294 CG GLU A 20 -13.193 -1.697 13.745 1.00 3.54 C ATOM 295 CD GLU A 20 -12.599 -0.361 13.355 1.00 4.23 C ATOM 296 OE1 GLU A 20 -11.920 0.255 14.185 1.00 4.67 O ATOM 297 OE2 GLU A 20 -12.801 0.096 12.210 1.00 4.69 O ATOM 0 H GLU A 20 -11.675 -1.518 11.223 1.00 2.13 H new ATOM 0 HA GLU A 20 -10.863 -4.028 12.491 1.00 2.46 H new ATOM 0 HB2 GLU A 20 -12.638 -3.719 14.202 1.00 3.09 H new ATOM 0 HB3 GLU A 20 -11.327 -2.566 14.354 1.00 3.09 H new ATOM 0 HG2 GLU A 20 -14.009 -1.935 13.063 1.00 3.54 H new ATOM 0 HG3 GLU A 20 -13.625 -1.616 14.742 1.00 3.54 H new ATOM 304 N THR A 21 -12.797 -3.579 10.246 1.00 2.07 N ATOM 305 CA THR A 21 -13.772 -4.153 9.340 1.00 2.31 C ATOM 306 C THR A 21 -13.387 -5.618 9.002 1.00 2.42 C ATOM 307 O THR A 21 -12.491 -6.206 9.636 1.00 2.89 O ATOM 308 CB THR A 21 -13.929 -3.267 8.040 1.00 2.31 C ATOM 309 OG1 THR A 21 -14.980 -3.756 7.190 1.00 2.58 O ATOM 310 CG2 THR A 21 -12.616 -3.178 7.253 1.00 2.00 C ATOM 0 H THR A 21 -12.169 -2.902 9.813 1.00 2.07 H new ATOM 0 HA THR A 21 -14.745 -4.168 9.831 1.00 2.31 H new ATOM 0 HB THR A 21 -14.196 -2.265 8.376 1.00 2.31 H new ATOM 0 HG1 THR A 21 -15.051 -3.185 6.397 1.00 2.58 H new ATOM 0 HG21 THR A 21 -12.764 -2.561 6.367 1.00 2.00 H new ATOM 0 HG22 THR A 21 -11.845 -2.732 7.881 1.00 2.00 H new ATOM 0 HG23 THR A 21 -12.304 -4.178 6.951 1.00 2.00 H new ATOM 318 N ASP A 22 -14.035 -6.199 8.037 1.00 2.59 N ATOM 319 CA ASP A 22 -13.724 -7.524 7.615 1.00 2.92 C ATOM 320 C ASP A 22 -12.475 -7.510 6.770 1.00 2.46 C ATOM 321 O ASP A 22 -12.404 -6.831 5.749 1.00 3.05 O ATOM 322 CB ASP A 22 -14.920 -8.219 6.931 1.00 3.98 C ATOM 323 CG ASP A 22 -15.598 -7.417 5.842 1.00 4.45 C ATOM 324 OD1 ASP A 22 -16.439 -6.566 6.148 1.00 4.62 O ATOM 325 OD2 ASP A 22 -15.256 -7.611 4.645 1.00 4.98 O ATOM 0 H ASP A 22 -14.798 -5.761 7.520 1.00 2.59 H new ATOM 0 HA ASP A 22 -13.518 -8.132 8.496 1.00 2.92 H new ATOM 0 HB2 ASP A 22 -14.576 -9.161 6.505 1.00 3.98 H new ATOM 0 HB3 ASP A 22 -15.660 -8.465 7.692 1.00 3.98 H new ATOM 330 N GLY A 23 -11.477 -8.238 7.235 1.00 1.97 N ATOM 331 CA GLY A 23 -10.150 -8.242 6.628 1.00 2.01 C ATOM 332 C GLY A 23 -10.060 -8.935 5.280 1.00 1.57 C ATOM 333 O GLY A 23 -8.984 -8.991 4.700 1.00 1.97 O ATOM 0 H GLY A 23 -11.560 -8.848 8.048 1.00 1.97 H new ATOM 0 HA2 GLY A 23 -9.818 -7.210 6.512 1.00 2.01 H new ATOM 0 HA3 GLY A 23 -9.455 -8.725 7.315 1.00 2.01 H new ATOM 337 N THR A 24 -11.190 -9.466 4.807 1.00 1.42 N ATOM 338 CA THR A 24 -11.341 -10.124 3.499 1.00 1.24 C ATOM 339 C THR A 24 -10.274 -11.232 3.264 1.00 1.16 C ATOM 340 O THR A 24 -9.695 -11.777 4.223 1.00 1.49 O ATOM 341 CB THR A 24 -11.429 -9.065 2.296 1.00 1.62 C ATOM 342 OG1 THR A 24 -11.950 -9.682 1.114 1.00 2.43 O ATOM 343 CG2 THR A 24 -10.081 -8.416 1.947 1.00 1.98 C ATOM 0 H THR A 24 -12.059 -9.451 5.341 1.00 1.42 H new ATOM 0 HA THR A 24 -12.301 -10.641 3.515 1.00 1.24 H new ATOM 0 HB THR A 24 -12.096 -8.280 2.652 1.00 1.62 H new ATOM 0 HG1 THR A 24 -11.997 -9.020 0.393 1.00 2.43 H new ATOM 0 HG21 THR A 24 -10.218 -7.712 1.126 1.00 1.98 H new ATOM 0 HG22 THR A 24 -9.696 -7.886 2.818 1.00 1.98 H new ATOM 0 HG23 THR A 24 -9.372 -9.188 1.649 1.00 1.98 H new ATOM 351 N ASP A 25 -10.036 -11.581 2.029 1.00 1.06 N ATOM 352 CA ASP A 25 -9.024 -12.577 1.688 1.00 1.14 C ATOM 353 C ASP A 25 -7.695 -11.884 1.491 1.00 0.91 C ATOM 354 O ASP A 25 -7.049 -12.017 0.456 1.00 1.11 O ATOM 355 CB ASP A 25 -9.390 -13.377 0.423 1.00 1.52 C ATOM 356 CG ASP A 25 -10.651 -14.183 0.562 1.00 1.99 C ATOM 357 OD1 ASP A 25 -10.651 -15.198 1.271 1.00 2.49 O ATOM 358 OD2 ASP A 25 -11.680 -13.801 -0.047 1.00 2.41 O ATOM 0 H ASP A 25 -10.529 -11.192 1.225 1.00 1.06 H new ATOM 0 HA ASP A 25 -8.965 -13.289 2.511 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -9.501 -12.687 -0.413 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -8.566 -14.047 0.176 1.00 1.52 H new ATOM 363 N LEU A 26 -7.305 -11.111 2.489 1.00 0.84 N ATOM 364 CA LEU A 26 -6.050 -10.380 2.455 1.00 0.77 C ATOM 365 C LEU A 26 -4.933 -11.345 2.837 1.00 0.86 C ATOM 366 O LEU A 26 -3.752 -11.105 2.600 1.00 1.05 O ATOM 367 CB LEU A 26 -6.105 -9.224 3.450 1.00 0.94 C ATOM 368 CG LEU A 26 -5.311 -7.986 3.074 1.00 0.85 C ATOM 369 CD1 LEU A 26 -5.930 -7.346 1.837 1.00 1.22 C ATOM 370 CD2 LEU A 26 -5.277 -7.004 4.236 1.00 1.11 C ATOM 0 H LEU A 26 -7.846 -10.972 3.342 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.870 -9.973 1.460 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -7.148 -8.936 3.585 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -5.746 -9.583 4.414 1.00 0.94 H new ATOM 0 HG LEU A 26 -4.283 -8.269 2.848 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -5.362 -6.457 1.565 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -5.910 -8.057 1.011 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -6.962 -7.066 2.050 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -4.704 -6.122 3.950 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -6.294 -6.708 4.492 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -4.808 -7.477 5.099 1.00 1.11 H new ATOM 382 N SER A 27 -5.341 -12.415 3.454 1.00 0.96 N ATOM 383 CA SER A 27 -4.484 -13.473 3.835 1.00 1.13 C ATOM 384 C SER A 27 -4.725 -14.610 2.856 1.00 1.20 C ATOM 385 O SER A 27 -5.839 -15.140 2.780 1.00 1.66 O ATOM 386 CB SER A 27 -4.873 -13.926 5.232 1.00 1.36 C ATOM 387 OG SER A 27 -5.078 -12.810 6.099 1.00 1.89 O ATOM 0 H SER A 27 -6.316 -12.570 3.710 1.00 0.96 H new ATOM 0 HA SER A 27 -3.438 -13.167 3.829 1.00 1.13 H new ATOM 0 HB2 SER A 27 -5.783 -14.524 5.183 1.00 1.36 H new ATOM 0 HB3 SER A 27 -4.092 -14.568 5.640 1.00 1.36 H new ATOM 0 HG SER A 27 -5.329 -13.130 6.991 1.00 1.89 H new ATOM 393 N GLY A 28 -3.732 -14.958 2.096 1.00 1.48 N ATOM 394 CA GLY A 28 -3.906 -16.021 1.145 1.00 1.67 C ATOM 395 C GLY A 28 -3.743 -15.531 -0.259 1.00 1.54 C ATOM 396 O GLY A 28 -4.541 -15.868 -1.143 1.00 2.30 O ATOM 0 H GLY A 28 -2.805 -14.532 2.111 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -3.181 -16.810 1.343 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -4.896 -16.460 1.266 1.00 1.67 H new ATOM 400 N ASP A 29 -2.695 -14.730 -0.446 1.00 1.09 N ATOM 401 CA ASP A 29 -2.316 -14.135 -1.725 1.00 1.07 C ATOM 402 C ASP A 29 -3.237 -13.002 -2.141 1.00 0.87 C ATOM 403 O ASP A 29 -4.419 -13.196 -2.393 1.00 1.13 O ATOM 404 CB ASP A 29 -2.142 -15.164 -2.847 1.00 1.48 C ATOM 405 CG ASP A 29 -1.878 -14.501 -4.167 1.00 2.24 C ATOM 406 OD1 ASP A 29 -0.846 -13.817 -4.304 1.00 2.56 O ATOM 407 OD2 ASP A 29 -2.702 -14.644 -5.091 1.00 2.97 O ATOM 0 H ASP A 29 -2.066 -14.469 0.314 1.00 1.09 H new ATOM 0 HA ASP A 29 -1.331 -13.700 -1.554 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -1.317 -15.833 -2.603 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -3.039 -15.778 -2.921 1.00 1.48 H new ATOM 412 N PHE A 30 -2.679 -11.820 -2.215 1.00 0.67 N ATOM 413 CA PHE A 30 -3.447 -10.641 -2.568 1.00 0.57 C ATOM 414 C PHE A 30 -2.594 -9.697 -3.415 1.00 0.49 C ATOM 415 O PHE A 30 -3.002 -8.584 -3.712 1.00 0.48 O ATOM 416 CB PHE A 30 -3.927 -9.912 -1.283 1.00 0.59 C ATOM 417 CG PHE A 30 -2.827 -9.217 -0.497 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.872 -9.962 0.180 1.00 0.64 C ATOM 419 CD2 PHE A 30 -2.751 -7.832 -0.433 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.873 -9.346 0.899 1.00 0.74 C ATOM 421 CE2 PHE A 30 -1.752 -7.213 0.288 1.00 0.65 C ATOM 422 CZ PHE A 30 -0.819 -7.923 0.920 1.00 0.73 C ATOM 0 H PHE A 30 -1.691 -11.643 -2.035 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.319 -10.948 -3.146 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.679 -9.173 -1.560 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.417 -10.636 -0.633 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.913 -11.041 0.142 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -3.483 -7.233 -0.954 1.00 0.58 H new ATOM 0 HE1 PHE A 30 -0.143 -9.932 1.438 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -1.726 -6.135 0.341 1.00 0.65 H new ATOM 0 HZ PHE A 30 -0.022 -7.420 1.448 1.00 0.73 H new ATOM 432 N LEU A 31 -1.427 -10.175 -3.839 1.00 0.54 N ATOM 433 CA LEU A 31 -0.444 -9.335 -4.541 1.00 0.60 C ATOM 434 C LEU A 31 -0.994 -8.804 -5.858 1.00 0.63 C ATOM 435 O LEU A 31 -0.777 -7.636 -6.219 1.00 0.72 O ATOM 436 CB LEU A 31 0.862 -10.110 -4.783 1.00 0.75 C ATOM 437 CG LEU A 31 2.012 -9.314 -5.411 1.00 0.82 C ATOM 438 CD1 LEU A 31 2.409 -8.154 -4.509 1.00 0.75 C ATOM 439 CD2 LEU A 31 3.205 -10.219 -5.671 1.00 1.43 C ATOM 0 H LEU A 31 -1.133 -11.143 -3.711 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.232 -8.480 -3.899 1.00 0.60 H new ATOM 0 HB2 LEU A 31 1.204 -10.512 -3.829 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.642 -10.961 -5.428 1.00 0.75 H new ATOM 0 HG LEU A 31 1.673 -8.909 -6.365 1.00 0.82 H new ATOM 0 HD11 LEU A 31 3.227 -7.599 -4.969 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.554 -7.492 -4.370 1.00 0.75 H new ATOM 0 HD13 LEU A 31 2.731 -8.539 -3.541 1.00 0.75 H new ATOM 0 HD21 LEU A 31 4.012 -9.638 -6.117 1.00 1.43 H new ATOM 0 HD22 LEU A 31 3.546 -10.651 -4.730 1.00 1.43 H new ATOM 0 HD23 LEU A 31 2.914 -11.018 -6.353 1.00 1.43 H new ATOM 451 N ASP A 32 -1.720 -9.645 -6.549 1.00 0.66 N ATOM 452 CA ASP A 32 -2.301 -9.287 -7.825 1.00 0.83 C ATOM 453 C ASP A 32 -3.788 -9.078 -7.692 1.00 0.73 C ATOM 454 O ASP A 32 -4.504 -8.939 -8.687 1.00 0.96 O ATOM 455 CB ASP A 32 -2.024 -10.349 -8.883 1.00 1.10 C ATOM 456 CG ASP A 32 -0.572 -10.478 -9.247 1.00 1.70 C ATOM 457 OD1 ASP A 32 -0.009 -9.546 -9.870 1.00 2.33 O ATOM 458 OD2 ASP A 32 0.052 -11.495 -8.883 1.00 2.26 O ATOM 0 H ASP A 32 -1.927 -10.597 -6.247 1.00 0.66 H new ATOM 0 HA ASP A 32 -1.834 -8.355 -8.144 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -2.385 -11.312 -8.521 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -2.594 -10.111 -9.781 1.00 1.10 H new ATOM 463 N LEU A 33 -4.259 -9.051 -6.472 1.00 0.50 N ATOM 464 CA LEU A 33 -5.648 -8.797 -6.215 1.00 0.50 C ATOM 465 C LEU A 33 -5.834 -7.291 -6.317 1.00 0.50 C ATOM 466 O LEU A 33 -4.875 -6.557 -6.211 1.00 0.78 O ATOM 467 CB LEU A 33 -6.043 -9.333 -4.830 1.00 0.49 C ATOM 468 CG LEU A 33 -7.534 -9.292 -4.472 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.351 -10.095 -5.479 1.00 0.77 C ATOM 470 CD2 LEU A 33 -7.743 -9.843 -3.073 1.00 0.70 C ATOM 0 H LEU A 33 -3.694 -9.203 -5.637 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.292 -9.306 -6.932 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -5.704 -10.366 -4.756 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.497 -8.764 -4.077 1.00 0.49 H new ATOM 0 HG LEU A 33 -7.872 -8.256 -4.504 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.406 -10.053 -5.207 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.216 -9.674 -6.475 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.016 -11.132 -5.475 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -8.804 -9.811 -2.824 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.391 -10.874 -3.032 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.184 -9.240 -2.357 1.00 0.70 H new ATOM 482 N ARG A 34 -7.014 -6.829 -6.531 1.00 0.34 N ATOM 483 CA ARG A 34 -7.184 -5.416 -6.773 1.00 0.37 C ATOM 484 C ARG A 34 -7.696 -4.732 -5.541 1.00 0.35 C ATOM 485 O ARG A 34 -8.435 -5.342 -4.756 1.00 0.40 O ATOM 486 CB ARG A 34 -8.143 -5.144 -7.958 1.00 0.45 C ATOM 487 CG ARG A 34 -7.665 -5.585 -9.361 1.00 0.60 C ATOM 488 CD ARG A 34 -7.491 -7.096 -9.514 1.00 1.01 C ATOM 489 NE ARG A 34 -8.725 -7.826 -9.202 1.00 1.74 N ATOM 490 CZ ARG A 34 -9.002 -9.081 -9.565 1.00 2.51 C ATOM 491 NH1 ARG A 34 -8.117 -9.820 -10.234 1.00 2.74 N ATOM 492 NH2 ARG A 34 -10.170 -9.602 -9.233 1.00 3.50 N ATOM 0 H ARG A 34 -7.869 -7.385 -6.546 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.205 -5.013 -7.033 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.089 -5.643 -7.750 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.347 -4.074 -7.990 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -8.382 -5.235 -10.104 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -6.715 -5.097 -9.580 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -7.183 -7.324 -10.534 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -6.692 -7.437 -8.856 1.00 1.01 H new ATOM 0 HE ARG A 34 -9.434 -7.331 -8.660 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -7.207 -9.429 -10.479 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -8.350 -10.776 -10.501 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -10.845 -9.047 -8.707 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -10.397 -10.559 -9.503 1.00 3.50 H new ATOM 506 N PHE A 35 -7.321 -3.465 -5.362 1.00 0.36 N ATOM 507 CA PHE A 35 -7.842 -2.662 -4.252 1.00 0.39 C ATOM 508 C PHE A 35 -9.347 -2.505 -4.392 1.00 0.47 C ATOM 509 O PHE A 35 -10.070 -2.372 -3.399 1.00 0.54 O ATOM 510 CB PHE A 35 -7.170 -1.284 -4.164 1.00 0.41 C ATOM 511 CG PHE A 35 -5.746 -1.301 -3.676 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.455 -1.466 -2.337 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.698 -1.174 -4.573 1.00 0.42 C ATOM 514 CE1 PHE A 35 -4.146 -1.502 -1.897 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.388 -1.213 -4.140 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.127 -1.292 -2.752 1.00 0.47 C ATOM 0 H PHE A 35 -6.663 -2.974 -5.967 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.612 -3.191 -3.327 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.195 -0.821 -5.150 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.758 -0.651 -3.500 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.260 -1.568 -1.625 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.909 -1.043 -5.624 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.938 -1.701 -0.856 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.575 -1.184 -4.850 1.00 0.47 H new ATOM 0 HZ PHE A 35 -2.118 -1.185 -2.381 1.00 0.47 H new ATOM 526 N GLU A 36 -9.799 -2.588 -5.645 1.00 0.57 N ATOM 527 CA GLU A 36 -11.200 -2.495 -6.011 1.00 0.76 C ATOM 528 C GLU A 36 -11.985 -3.637 -5.357 1.00 0.74 C ATOM 529 O GLU A 36 -13.136 -3.480 -4.964 1.00 0.87 O ATOM 530 CB GLU A 36 -11.356 -2.620 -7.536 1.00 0.97 C ATOM 531 CG GLU A 36 -10.408 -1.755 -8.362 1.00 1.31 C ATOM 532 CD GLU A 36 -10.483 -0.293 -8.024 1.00 1.56 C ATOM 533 OE1 GLU A 36 -11.551 0.304 -8.184 1.00 2.06 O ATOM 534 OE2 GLU A 36 -9.446 0.282 -7.612 1.00 1.81 O ATOM 0 H GLU A 36 -9.182 -2.725 -6.446 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.581 -1.531 -5.673 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -11.206 -3.663 -7.816 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -12.381 -2.363 -7.802 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -9.386 -2.103 -8.210 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -10.636 -1.888 -9.420 1.00 1.31 H new ATOM 541 N ASP A 37 -11.336 -4.783 -5.232 1.00 0.66 N ATOM 542 CA ASP A 37 -11.957 -5.978 -4.671 1.00 0.73 C ATOM 543 C ASP A 37 -11.948 -5.936 -3.169 1.00 0.73 C ATOM 544 O ASP A 37 -12.890 -6.367 -2.522 1.00 0.89 O ATOM 545 CB ASP A 37 -11.236 -7.254 -5.131 1.00 0.75 C ATOM 546 CG ASP A 37 -11.425 -7.566 -6.585 1.00 1.29 C ATOM 547 OD1 ASP A 37 -10.642 -7.074 -7.431 1.00 2.20 O ATOM 548 OD2 ASP A 37 -12.359 -8.317 -6.914 1.00 1.28 O ATOM 0 H ASP A 37 -10.365 -4.914 -5.515 1.00 0.66 H new ATOM 0 HA ASP A 37 -12.986 -5.997 -5.031 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -10.170 -7.151 -4.927 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -11.594 -8.096 -4.539 1.00 0.75 H new ATOM 553 N ILE A 38 -10.893 -5.377 -2.613 1.00 0.63 N ATOM 554 CA ILE A 38 -10.724 -5.350 -1.170 1.00 0.68 C ATOM 555 C ILE A 38 -11.368 -4.114 -0.513 1.00 0.68 C ATOM 556 O ILE A 38 -11.166 -3.841 0.664 1.00 0.73 O ATOM 557 CB ILE A 38 -9.242 -5.541 -0.742 1.00 0.68 C ATOM 558 CG1 ILE A 38 -8.351 -4.446 -1.339 1.00 0.55 C ATOM 559 CG2 ILE A 38 -8.754 -6.917 -1.194 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.886 -4.557 -0.956 1.00 0.64 C ATOM 0 H ILE A 38 -10.138 -4.934 -3.137 1.00 0.63 H new ATOM 0 HA ILE A 38 -11.271 -6.213 -0.790 1.00 0.68 H new ATOM 0 HB ILE A 38 -9.182 -5.470 0.344 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.434 -4.478 -2.425 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.726 -3.474 -1.019 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -7.715 -7.051 -0.894 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.368 -7.690 -0.732 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.831 -6.992 -2.279 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.326 -3.745 -1.420 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -6.787 -4.493 0.128 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.491 -5.513 -1.301 1.00 0.64 H new ATOM 572 N GLY A 39 -12.179 -3.413 -1.305 1.00 0.69 N ATOM 573 CA GLY A 39 -13.002 -2.296 -0.846 1.00 0.77 C ATOM 574 C GLY A 39 -12.254 -1.156 -0.169 1.00 0.65 C ATOM 575 O GLY A 39 -12.787 -0.529 0.752 1.00 0.74 O ATOM 0 H GLY A 39 -12.284 -3.609 -2.300 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.543 -1.893 -1.702 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -13.747 -2.681 -0.150 1.00 0.77 H new ATOM 579 N TYR A 40 -11.059 -0.861 -0.615 1.00 0.52 N ATOM 580 CA TYR A 40 -10.296 0.223 -0.022 1.00 0.47 C ATOM 581 C TYR A 40 -10.705 1.562 -0.562 1.00 0.49 C ATOM 582 O TYR A 40 -11.076 1.689 -1.733 1.00 0.61 O ATOM 583 CB TYR A 40 -8.788 0.019 -0.152 1.00 0.46 C ATOM 584 CG TYR A 40 -8.177 -0.750 0.998 1.00 0.50 C ATOM 585 CD1 TYR A 40 -8.487 -2.077 1.220 1.00 0.62 C ATOM 586 CD2 TYR A 40 -7.301 -0.123 1.879 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.943 -2.773 2.278 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.750 -0.807 2.942 1.00 0.78 C ATOM 589 CZ TYR A 40 -7.074 -2.138 3.136 1.00 0.81 C ATOM 590 OH TYR A 40 -6.527 -2.834 4.188 1.00 1.02 O ATOM 0 H TYR A 40 -10.591 -1.348 -1.380 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.532 0.208 1.042 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.581 -0.510 -1.082 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -8.304 0.993 -0.224 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -9.170 -2.580 0.551 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -7.049 0.916 1.728 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -8.197 -3.811 2.433 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -6.071 -0.308 3.618 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.870 -2.270 4.647 1.00 1.02 H new ATOM 600 N ASP A 41 -10.687 2.545 0.303 1.00 0.48 N ATOM 601 CA ASP A 41 -11.001 3.914 -0.075 1.00 0.56 C ATOM 602 C ASP A 41 -9.698 4.583 -0.472 1.00 0.45 C ATOM 603 O ASP A 41 -8.616 4.017 -0.267 1.00 0.39 O ATOM 604 CB ASP A 41 -11.625 4.678 1.115 1.00 0.75 C ATOM 605 CG ASP A 41 -12.189 6.060 0.763 1.00 1.11 C ATOM 606 OD1 ASP A 41 -11.432 7.051 0.805 1.00 2.01 O ATOM 607 OD2 ASP A 41 -13.373 6.172 0.440 1.00 1.20 O ATOM 0 H ASP A 41 -10.456 2.427 1.289 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.718 3.921 -0.896 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -12.425 4.071 1.540 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -10.868 4.796 1.891 1.00 0.75 H new ATOM 612 N SER A 42 -9.795 5.770 -0.949 1.00 0.57 N ATOM 613 CA SER A 42 -8.670 6.525 -1.387 1.00 0.62 C ATOM 614 C SER A 42 -7.930 7.037 -0.167 1.00 0.53 C ATOM 615 O SER A 42 -6.707 6.945 -0.095 1.00 0.54 O ATOM 616 CB SER A 42 -9.139 7.674 -2.257 1.00 0.83 C ATOM 617 OG SER A 42 -8.005 8.410 -2.791 1.00 1.24 O ATOM 0 H SER A 42 -10.683 6.261 -1.050 1.00 0.57 H new ATOM 0 HA SER A 42 -7.998 5.903 -1.979 1.00 0.62 H new ATOM 0 HB2 SER A 42 -9.749 7.292 -3.076 1.00 0.83 H new ATOM 0 HB3 SER A 42 -9.772 8.343 -1.674 1.00 0.83 H new ATOM 622 N LEU A 43 -8.696 7.493 0.837 1.00 0.53 N ATOM 623 CA LEU A 43 -8.122 8.007 2.074 1.00 0.54 C ATOM 624 C LEU A 43 -7.391 6.898 2.778 1.00 0.45 C ATOM 625 O LEU A 43 -6.280 7.081 3.253 1.00 0.47 O ATOM 626 CB LEU A 43 -9.204 8.584 2.995 1.00 0.68 C ATOM 627 CG LEU A 43 -9.996 9.775 2.452 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.035 10.215 3.467 1.00 1.00 C ATOM 629 CD2 LEU A 43 -9.063 10.928 2.110 1.00 0.90 C ATOM 0 H LEU A 43 -9.715 7.513 0.808 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.431 8.812 1.826 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -9.908 7.787 3.236 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -8.732 8.886 3.930 1.00 0.68 H new ATOM 0 HG LEU A 43 -10.506 9.468 1.539 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -11.594 11.063 3.071 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -11.720 9.391 3.667 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -10.539 10.507 4.392 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -9.645 11.765 1.725 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -8.527 11.240 3.006 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -8.348 10.605 1.353 1.00 0.90 H new ATOM 641 N ALA A 44 -8.003 5.725 2.758 1.00 0.44 N ATOM 642 CA ALA A 44 -7.447 4.538 3.361 1.00 0.41 C ATOM 643 C ALA A 44 -6.106 4.185 2.719 1.00 0.35 C ATOM 644 O ALA A 44 -5.174 3.839 3.408 1.00 0.38 O ATOM 645 CB ALA A 44 -8.425 3.379 3.243 1.00 0.43 C ATOM 0 H ALA A 44 -8.910 5.575 2.316 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.273 4.735 4.419 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -7.993 2.490 3.702 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.355 3.634 3.751 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.629 3.181 2.191 1.00 0.43 H new ATOM 651 N LEU A 45 -6.010 4.330 1.403 1.00 0.34 N ATOM 652 CA LEU A 45 -4.780 4.034 0.701 1.00 0.33 C ATOM 653 C LEU A 45 -3.705 5.113 0.994 1.00 0.32 C ATOM 654 O LEU A 45 -2.505 4.806 1.068 1.00 0.36 O ATOM 655 CB LEU A 45 -5.060 3.871 -0.787 1.00 0.48 C ATOM 656 CG LEU A 45 -3.912 3.370 -1.692 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.903 2.520 -0.936 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.519 2.490 -2.707 1.00 0.37 C ATOM 0 H LEU A 45 -6.772 4.651 0.806 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.374 3.089 1.062 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -5.896 3.180 -0.895 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.392 4.835 -1.172 1.00 0.48 H new ATOM 0 HG LEU A 45 -3.399 4.239 -2.104 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -2.118 2.194 -1.618 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.463 3.108 -0.131 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -3.404 1.648 -0.516 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.742 2.111 -3.371 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -5.015 1.654 -2.214 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.250 3.054 -3.287 1.00 0.37 H new ATOM 670 N MET A 46 -4.138 6.367 1.207 1.00 0.37 N ATOM 671 CA MET A 46 -3.191 7.444 1.596 1.00 0.46 C ATOM 672 C MET A 46 -2.583 7.040 2.898 1.00 0.48 C ATOM 673 O MET A 46 -1.382 7.074 3.084 1.00 0.54 O ATOM 674 CB MET A 46 -3.884 8.783 1.874 1.00 0.59 C ATOM 675 CG MET A 46 -4.901 9.200 0.881 1.00 0.54 C ATOM 676 SD MET A 46 -5.511 10.882 1.174 1.00 0.89 S ATOM 677 CE MET A 46 -4.003 11.844 0.954 1.00 1.84 C ATOM 0 H MET A 46 -5.110 6.663 1.121 1.00 0.37 H new ATOM 0 HA MET A 46 -2.484 7.570 0.776 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.360 8.728 2.853 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.122 9.560 1.934 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.472 9.142 -0.119 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.739 8.503 0.910 1.00 0.54 H new ATOM 0 HE1 MET A 46 -4.261 12.867 0.680 1.00 1.84 H new ATOM 0 HE2 MET A 46 -3.436 11.850 1.885 1.00 1.84 H new ATOM 0 HE3 MET A 46 -3.399 11.398 0.164 1.00 1.84 H new ATOM 687 N GLU A 47 -3.466 6.638 3.770 1.00 0.49 N ATOM 688 CA GLU A 47 -3.190 6.182 5.097 1.00 0.55 C ATOM 689 C GLU A 47 -2.307 4.909 5.116 1.00 0.54 C ATOM 690 O GLU A 47 -1.433 4.766 5.981 1.00 0.71 O ATOM 691 CB GLU A 47 -4.539 6.030 5.795 1.00 0.58 C ATOM 692 CG GLU A 47 -5.123 7.361 6.262 1.00 0.82 C ATOM 693 CD GLU A 47 -6.454 7.244 6.969 1.00 1.48 C ATOM 694 OE1 GLU A 47 -6.471 7.126 8.214 1.00 1.84 O ATOM 695 OE2 GLU A 47 -7.518 7.342 6.315 1.00 2.31 O ATOM 0 H GLU A 47 -4.463 6.621 3.554 1.00 0.49 H new ATOM 0 HA GLU A 47 -2.584 6.903 5.646 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.242 5.550 5.114 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -4.425 5.368 6.654 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -4.410 7.842 6.932 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -5.240 8.016 5.398 1.00 0.82 H new ATOM 702 N THR A 48 -2.531 4.004 4.170 1.00 0.42 N ATOM 703 CA THR A 48 -1.665 2.844 3.962 1.00 0.42 C ATOM 704 C THR A 48 -0.245 3.335 3.662 1.00 0.39 C ATOM 705 O THR A 48 0.713 3.015 4.391 1.00 0.41 O ATOM 706 CB THR A 48 -2.159 2.034 2.735 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.499 1.588 2.941 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.256 0.832 2.459 1.00 0.45 C ATOM 0 H THR A 48 -3.319 4.052 3.524 1.00 0.42 H new ATOM 0 HA THR A 48 -1.682 2.219 4.855 1.00 0.42 H new ATOM 0 HB THR A 48 -2.125 2.695 1.869 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.088 2.363 3.056 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.631 0.287 1.593 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.242 1.177 2.259 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.251 0.174 3.328 1.00 0.45 H new ATOM 716 N ALA A 49 -0.136 4.121 2.595 1.00 0.39 N ATOM 717 CA ALA A 49 1.125 4.644 2.123 1.00 0.40 C ATOM 718 C ALA A 49 1.821 5.450 3.200 1.00 0.42 C ATOM 719 O ALA A 49 2.960 5.194 3.490 1.00 0.41 O ATOM 720 CB ALA A 49 0.921 5.483 0.870 1.00 0.43 C ATOM 0 H ALA A 49 -0.936 4.411 2.033 1.00 0.39 H new ATOM 0 HA ALA A 49 1.766 3.799 1.872 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.882 5.868 0.530 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.479 4.866 0.087 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.255 6.316 1.094 1.00 0.43 H new ATOM 726 N ALA A 50 1.083 6.363 3.842 1.00 0.46 N ATOM 727 CA ALA A 50 1.614 7.281 4.879 1.00 0.51 C ATOM 728 C ALA A 50 2.312 6.537 5.997 1.00 0.49 C ATOM 729 O ALA A 50 3.346 6.979 6.506 1.00 0.49 O ATOM 730 CB ALA A 50 0.493 8.127 5.456 1.00 0.62 C ATOM 0 H ALA A 50 0.088 6.494 3.660 1.00 0.46 H new ATOM 0 HA ALA A 50 2.350 7.922 4.393 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.896 8.796 6.216 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.035 8.715 4.661 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.258 7.478 5.906 1.00 0.62 H new ATOM 736 N ARG A 51 1.761 5.407 6.362 1.00 0.51 N ATOM 737 CA ARG A 51 2.333 4.584 7.397 1.00 0.54 C ATOM 738 C ARG A 51 3.671 4.033 6.935 1.00 0.50 C ATOM 739 O ARG A 51 4.653 4.088 7.659 1.00 0.61 O ATOM 740 CB ARG A 51 1.348 3.475 7.784 1.00 0.62 C ATOM 741 CG ARG A 51 1.841 2.404 8.771 1.00 0.87 C ATOM 742 CD ARG A 51 2.262 2.965 10.124 1.00 1.36 C ATOM 743 NE ARG A 51 2.350 1.894 11.125 1.00 2.18 N ATOM 744 CZ ARG A 51 2.874 2.002 12.343 1.00 3.05 C ATOM 745 NH1 ARG A 51 3.688 3.016 12.640 1.00 3.48 N ATOM 746 NH2 ARG A 51 2.626 1.059 13.241 1.00 3.91 N ATOM 0 H ARG A 51 0.906 5.033 5.951 1.00 0.51 H new ATOM 0 HA ARG A 51 2.517 5.181 8.290 1.00 0.54 H new ATOM 0 HB2 ARG A 51 0.462 3.945 8.212 1.00 0.62 H new ATOM 0 HB3 ARG A 51 1.032 2.971 6.871 1.00 0.62 H new ATOM 0 HG2 ARG A 51 1.049 1.670 8.922 1.00 0.87 H new ATOM 0 HG3 ARG A 51 2.685 1.876 8.328 1.00 0.87 H new ATOM 0 HD2 ARG A 51 3.227 3.464 10.032 1.00 1.36 H new ATOM 0 HD3 ARG A 51 1.544 3.717 10.451 1.00 1.36 H new ATOM 0 HE ARG A 51 1.975 0.983 10.862 1.00 2.18 H new ATOM 0 HH11 ARG A 51 3.912 3.715 11.931 1.00 3.48 H new ATOM 0 HH12 ARG A 51 4.086 3.093 13.576 1.00 3.48 H new ATOM 0 HH21 ARG A 51 2.039 0.262 12.995 1.00 3.91 H new ATOM 0 HH22 ARG A 51 3.022 1.130 14.178 1.00 3.91 H new ATOM 760 N LEU A 52 3.714 3.556 5.717 1.00 0.41 N ATOM 761 CA LEU A 52 4.942 3.050 5.138 1.00 0.39 C ATOM 762 C LEU A 52 5.941 4.206 4.960 1.00 0.36 C ATOM 763 O LEU A 52 7.139 4.068 5.240 1.00 0.38 O ATOM 764 CB LEU A 52 4.646 2.378 3.792 1.00 0.36 C ATOM 765 CG LEU A 52 3.739 1.136 3.838 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.438 0.648 2.437 1.00 0.41 C ATOM 767 CD2 LEU A 52 4.410 0.033 4.637 1.00 0.48 C ATOM 0 H LEU A 52 2.905 3.505 5.098 1.00 0.41 H new ATOM 0 HA LEU A 52 5.381 2.307 5.804 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.184 3.115 3.135 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.594 2.093 3.335 1.00 0.36 H new ATOM 0 HG LEU A 52 2.801 1.408 4.322 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.795 -0.231 2.488 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.932 1.435 1.878 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.370 0.388 1.934 1.00 0.41 H new ATOM 0 HD21 LEU A 52 3.761 -0.842 4.665 1.00 0.48 H new ATOM 0 HD22 LEU A 52 5.357 -0.232 4.167 1.00 0.48 H new ATOM 0 HD23 LEU A 52 4.594 0.380 5.654 1.00 0.48 H new ATOM 779 N GLU A 53 5.414 5.352 4.547 1.00 0.35 N ATOM 780 CA GLU A 53 6.186 6.565 4.327 1.00 0.37 C ATOM 781 C GLU A 53 6.888 7.033 5.595 1.00 0.41 C ATOM 782 O GLU A 53 8.108 7.184 5.606 1.00 0.45 O ATOM 783 CB GLU A 53 5.308 7.698 3.757 1.00 0.40 C ATOM 784 CG GLU A 53 4.703 7.411 2.384 1.00 0.44 C ATOM 785 CD GLU A 53 3.844 8.557 1.869 1.00 0.56 C ATOM 786 OE1 GLU A 53 4.370 9.510 1.251 1.00 0.65 O ATOM 787 OE2 GLU A 53 2.624 8.509 2.063 1.00 0.91 O ATOM 0 H GLU A 53 4.419 5.465 4.352 1.00 0.35 H new ATOM 0 HA GLU A 53 6.951 6.316 3.592 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.500 7.900 4.460 1.00 0.40 H new ATOM 0 HB3 GLU A 53 5.908 8.606 3.691 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.505 7.215 1.672 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.098 6.506 2.440 1.00 0.44 H new ATOM 794 N SER A 54 6.148 7.209 6.673 1.00 0.45 N ATOM 795 CA SER A 54 6.731 7.737 7.885 1.00 0.54 C ATOM 796 C SER A 54 7.554 6.684 8.651 1.00 0.52 C ATOM 797 O SER A 54 8.534 7.016 9.322 1.00 0.62 O ATOM 798 CB SER A 54 5.631 8.328 8.765 1.00 0.69 C ATOM 799 OG SER A 54 4.899 9.314 8.041 1.00 1.38 O ATOM 0 H SER A 54 5.152 6.996 6.732 1.00 0.45 H new ATOM 0 HA SER A 54 7.432 8.524 7.606 1.00 0.54 H new ATOM 0 HB2 SER A 54 4.959 7.538 9.099 1.00 0.69 H new ATOM 0 HB3 SER A 54 6.069 8.773 9.658 1.00 0.69 H new ATOM 0 HG SER A 54 4.255 8.873 7.448 1.00 1.38 H new ATOM 805 N ARG A 55 7.182 5.425 8.518 1.00 0.53 N ATOM 806 CA ARG A 55 7.844 4.372 9.265 1.00 0.62 C ATOM 807 C ARG A 55 9.174 3.974 8.626 1.00 0.57 C ATOM 808 O ARG A 55 10.166 3.784 9.320 1.00 0.68 O ATOM 809 CB ARG A 55 6.919 3.166 9.398 1.00 0.78 C ATOM 810 CG ARG A 55 7.412 2.079 10.323 1.00 0.95 C ATOM 811 CD ARG A 55 6.399 0.955 10.407 1.00 1.19 C ATOM 812 NE ARG A 55 6.771 -0.033 11.410 1.00 1.42 N ATOM 813 CZ ARG A 55 5.918 -0.862 12.032 1.00 1.79 C ATOM 814 NH1 ARG A 55 4.635 -0.930 11.661 1.00 1.97 N ATOM 815 NH2 ARG A 55 6.349 -1.628 13.022 1.00 2.41 N ATOM 0 H ARG A 55 6.431 5.108 7.905 1.00 0.53 H new ATOM 0 HA ARG A 55 8.070 4.755 10.260 1.00 0.62 H new ATOM 0 HB2 ARG A 55 5.948 3.510 9.753 1.00 0.78 H new ATOM 0 HB3 ARG A 55 6.763 2.736 8.408 1.00 0.78 H new ATOM 0 HG2 ARG A 55 8.365 1.692 9.963 1.00 0.95 H new ATOM 0 HG3 ARG A 55 7.590 2.491 11.316 1.00 0.95 H new ATOM 0 HD2 ARG A 55 5.419 1.366 10.648 1.00 1.19 H new ATOM 0 HD3 ARG A 55 6.312 0.471 9.434 1.00 1.19 H new ATOM 0 HE ARG A 55 7.758 -0.100 11.660 1.00 1.42 H new ATOM 0 HH11 ARG A 55 4.294 -0.347 10.897 1.00 1.97 H new ATOM 0 HH12 ARG A 55 3.998 -1.564 12.142 1.00 1.97 H new ATOM 0 HH21 ARG A 55 7.327 -1.587 13.310 1.00 2.41 H new ATOM 0 HH22 ARG A 55 5.703 -2.259 13.497 1.00 2.41 H new ATOM 829 N TYR A 56 9.202 3.862 7.311 1.00 0.49 N ATOM 830 CA TYR A 56 10.418 3.434 6.635 1.00 0.54 C ATOM 831 C TYR A 56 11.190 4.606 6.060 1.00 0.53 C ATOM 832 O TYR A 56 12.306 4.441 5.560 1.00 0.71 O ATOM 833 CB TYR A 56 10.108 2.377 5.567 1.00 0.57 C ATOM 834 CG TYR A 56 9.479 1.138 6.156 1.00 0.68 C ATOM 835 CD1 TYR A 56 10.261 0.117 6.675 1.00 0.94 C ATOM 836 CD2 TYR A 56 8.098 0.972 6.158 1.00 0.66 C ATOM 837 CE1 TYR A 56 9.690 -1.030 7.178 1.00 1.09 C ATOM 838 CE2 TYR A 56 7.520 -0.169 6.666 1.00 0.82 C ATOM 839 CZ TYR A 56 8.327 -1.108 7.303 1.00 1.02 C ATOM 840 OH TYR A 56 7.746 -2.312 7.666 1.00 1.20 O ATOM 0 H TYR A 56 8.412 4.057 6.696 1.00 0.49 H new ATOM 0 HA TYR A 56 11.064 2.972 7.382 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.437 2.803 4.821 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.028 2.105 5.050 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.336 0.224 6.685 1.00 0.94 H new ATOM 0 HD2 TYR A 56 7.469 1.751 5.754 1.00 0.66 H new ATOM 0 HE1 TYR A 56 10.311 -1.863 7.472 1.00 1.09 H new ATOM 0 HE2 TYR A 56 6.457 -0.334 6.572 1.00 0.82 H new ATOM 0 HH TYR A 56 6.773 -2.205 7.713 1.00 1.20 H new ATOM 850 N GLY A 57 10.610 5.781 6.135 1.00 0.44 N ATOM 851 CA GLY A 57 11.283 6.968 5.658 1.00 0.45 C ATOM 852 C GLY A 57 11.234 7.083 4.154 1.00 0.45 C ATOM 853 O GLY A 57 12.270 7.209 3.501 1.00 0.60 O ATOM 0 H GLY A 57 9.679 5.941 6.519 1.00 0.44 H new ATOM 0 HA2 GLY A 57 10.822 7.849 6.104 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.322 6.952 5.986 1.00 0.45 H new ATOM 857 N VAL A 58 10.037 7.025 3.602 1.00 0.37 N ATOM 858 CA VAL A 58 9.841 7.133 2.165 1.00 0.39 C ATOM 859 C VAL A 58 8.739 8.151 1.871 1.00 0.40 C ATOM 860 O VAL A 58 8.223 8.772 2.798 1.00 0.42 O ATOM 861 CB VAL A 58 9.518 5.761 1.470 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.615 4.749 1.732 1.00 0.49 C ATOM 863 CG2 VAL A 58 8.175 5.198 1.910 1.00 0.38 C ATOM 0 H VAL A 58 9.175 6.902 4.133 1.00 0.37 H new ATOM 0 HA VAL A 58 10.788 7.470 1.742 1.00 0.39 H new ATOM 0 HB VAL A 58 9.463 5.956 0.399 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.367 3.808 1.240 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.559 5.126 1.339 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.709 4.584 2.805 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.995 4.250 1.404 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.183 5.038 2.988 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.384 5.902 1.654 1.00 0.38 H new ATOM 873 N SER A 59 8.376 8.317 0.614 1.00 0.46 N ATOM 874 CA SER A 59 7.327 9.231 0.244 1.00 0.56 C ATOM 875 C SER A 59 6.698 8.794 -1.077 1.00 0.54 C ATOM 876 O SER A 59 7.406 8.348 -2.001 1.00 0.61 O ATOM 877 CB SER A 59 7.884 10.669 0.138 1.00 0.79 C ATOM 878 OG SER A 59 6.854 11.631 -0.123 1.00 1.33 O ATOM 0 H SER A 59 8.800 7.823 -0.171 1.00 0.46 H new ATOM 0 HA SER A 59 6.556 9.220 1.015 1.00 0.56 H new ATOM 0 HB2 SER A 59 8.394 10.928 1.066 1.00 0.79 H new ATOM 0 HB3 SER A 59 8.628 10.711 -0.658 1.00 0.79 H new ATOM 0 HG SER A 59 7.249 12.526 -0.181 1.00 1.33 H new ATOM 884 N ILE A 60 5.395 8.871 -1.143 1.00 0.48 N ATOM 885 CA ILE A 60 4.627 8.596 -2.341 1.00 0.46 C ATOM 886 C ILE A 60 3.695 9.771 -2.568 1.00 0.50 C ATOM 887 O ILE A 60 2.994 10.175 -1.648 1.00 0.58 O ATOM 888 CB ILE A 60 3.744 7.309 -2.211 1.00 0.44 C ATOM 889 CG1 ILE A 60 4.596 6.066 -1.953 1.00 0.47 C ATOM 890 CG2 ILE A 60 2.883 7.107 -3.470 1.00 0.43 C ATOM 891 CD1 ILE A 60 3.779 4.799 -1.806 1.00 1.13 C ATOM 0 H ILE A 60 4.817 9.134 -0.345 1.00 0.48 H new ATOM 0 HA ILE A 60 5.327 8.442 -3.162 1.00 0.46 H new ATOM 0 HB ILE A 60 3.087 7.452 -1.353 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.302 5.941 -2.774 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.183 6.218 -1.048 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.278 6.207 -3.357 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.229 7.969 -3.606 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.530 7.002 -4.341 1.00 0.43 H new ATOM 0 HD11 ILE A 60 4.445 3.955 -1.625 1.00 1.13 H new ATOM 0 HD12 ILE A 60 3.091 4.905 -0.967 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.212 4.624 -2.720 1.00 1.13 H new ATOM 903 N PRO A 61 3.697 10.359 -3.765 1.00 0.52 N ATOM 904 CA PRO A 61 2.774 11.437 -4.109 1.00 0.58 C ATOM 905 C PRO A 61 1.321 10.944 -4.021 1.00 0.52 C ATOM 906 O PRO A 61 0.998 9.832 -4.494 1.00 0.45 O ATOM 907 CB PRO A 61 3.142 11.785 -5.555 1.00 0.63 C ATOM 908 CG PRO A 61 4.517 11.248 -5.736 1.00 0.65 C ATOM 909 CD PRO A 61 4.600 10.034 -4.877 1.00 0.56 C ATOM 0 HA PRO A 61 2.849 12.293 -3.439 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.445 11.333 -6.260 1.00 0.63 H new ATOM 0 HB3 PRO A 61 3.112 12.862 -5.723 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.705 11.000 -6.781 1.00 0.65 H new ATOM 0 HG3 PRO A 61 5.265 11.985 -5.444 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.279 9.139 -5.410 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.618 9.852 -4.532 1.00 0.56 H new ATOM 917 N ASP A 62 0.459 11.760 -3.421 1.00 0.64 N ATOM 918 CA ASP A 62 -0.959 11.416 -3.181 1.00 0.72 C ATOM 919 C ASP A 62 -1.698 11.006 -4.451 1.00 0.61 C ATOM 920 O ASP A 62 -2.648 10.212 -4.390 1.00 0.65 O ATOM 921 CB ASP A 62 -1.729 12.564 -2.476 1.00 1.00 C ATOM 922 CG ASP A 62 -1.811 13.854 -3.283 1.00 1.28 C ATOM 923 OD1 ASP A 62 -2.721 13.974 -4.142 1.00 1.97 O ATOM 924 OD2 ASP A 62 -0.974 14.753 -3.084 1.00 1.40 O ATOM 0 H ASP A 62 0.716 12.687 -3.082 1.00 0.64 H new ATOM 0 HA ASP A 62 -0.932 10.552 -2.517 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -2.740 12.224 -2.253 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -1.247 12.776 -1.522 1.00 1.00 H new ATOM 929 N ASP A 63 -1.257 11.510 -5.589 1.00 0.57 N ATOM 930 CA ASP A 63 -1.894 11.199 -6.857 1.00 0.62 C ATOM 931 C ASP A 63 -1.631 9.748 -7.246 1.00 0.52 C ATOM 932 O ASP A 63 -2.521 9.078 -7.766 1.00 0.65 O ATOM 933 CB ASP A 63 -1.423 12.137 -7.994 1.00 0.78 C ATOM 934 CG ASP A 63 -0.051 11.778 -8.568 1.00 1.29 C ATOM 935 OD1 ASP A 63 0.976 12.198 -7.988 1.00 1.87 O ATOM 936 OD2 ASP A 63 0.011 11.088 -9.598 1.00 1.94 O ATOM 0 H ASP A 63 -0.457 12.139 -5.662 1.00 0.57 H new ATOM 0 HA ASP A 63 -2.964 11.352 -6.720 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -2.159 12.115 -8.798 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -1.392 13.160 -7.618 1.00 0.78 H new ATOM 941 N VAL A 64 -0.444 9.244 -6.925 1.00 0.42 N ATOM 942 CA VAL A 64 -0.035 7.918 -7.358 1.00 0.39 C ATOM 943 C VAL A 64 -0.708 6.846 -6.508 1.00 0.33 C ATOM 944 O VAL A 64 -0.933 5.733 -6.967 1.00 0.37 O ATOM 945 CB VAL A 64 1.508 7.728 -7.328 1.00 0.46 C ATOM 946 CG1 VAL A 64 1.918 6.500 -8.116 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.222 8.954 -7.855 1.00 0.56 C ATOM 0 H VAL A 64 0.251 9.737 -6.365 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.355 7.815 -8.395 1.00 0.39 H new ATOM 0 HB VAL A 64 1.801 7.585 -6.288 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.002 6.389 -8.080 1.00 0.55 H new ATOM 0 HG12 VAL A 64 1.448 5.617 -7.683 1.00 0.55 H new ATOM 0 HG13 VAL A 64 1.599 6.610 -9.153 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.299 8.790 -7.821 1.00 0.56 H new ATOM 0 HG22 VAL A 64 1.915 9.139 -8.884 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.967 9.817 -7.239 1.00 0.56 H new ATOM 957 N ALA A 65 -1.090 7.214 -5.292 1.00 0.35 N ATOM 958 CA ALA A 65 -1.785 6.304 -4.396 1.00 0.38 C ATOM 959 C ALA A 65 -3.157 5.955 -4.975 1.00 0.43 C ATOM 960 O ALA A 65 -3.646 4.858 -4.815 1.00 0.47 O ATOM 961 CB ALA A 65 -1.921 6.926 -3.009 1.00 0.44 C ATOM 0 H ALA A 65 -0.928 8.143 -4.903 1.00 0.35 H new ATOM 0 HA ALA A 65 -1.206 5.386 -4.298 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -2.443 6.233 -2.349 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.930 7.135 -2.605 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.487 7.855 -3.081 1.00 0.44 H new ATOM 967 N GLY A 66 -3.738 6.893 -5.702 1.00 0.49 N ATOM 968 CA GLY A 66 -5.026 6.660 -6.321 1.00 0.59 C ATOM 969 C GLY A 66 -4.869 6.150 -7.739 1.00 0.53 C ATOM 970 O GLY A 66 -5.848 5.942 -8.458 1.00 0.69 O ATOM 0 H GLY A 66 -3.340 7.816 -5.876 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -5.590 5.937 -5.732 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.602 7.585 -6.326 1.00 0.59 H new ATOM 974 N ARG A 67 -3.634 5.938 -8.138 1.00 0.45 N ATOM 975 CA ARG A 67 -3.309 5.491 -9.476 1.00 0.45 C ATOM 976 C ARG A 67 -2.798 4.063 -9.477 1.00 0.39 C ATOM 977 O ARG A 67 -2.272 3.585 -10.485 1.00 0.51 O ATOM 978 CB ARG A 67 -2.285 6.429 -10.126 1.00 0.56 C ATOM 979 CG ARG A 67 -2.861 7.748 -10.628 1.00 1.08 C ATOM 980 CD ARG A 67 -1.759 8.714 -11.055 1.00 1.48 C ATOM 981 NE ARG A 67 -0.826 8.122 -12.025 1.00 2.15 N ATOM 982 CZ ARG A 67 0.511 8.250 -11.969 1.00 2.93 C ATOM 983 NH1 ARG A 67 1.071 9.128 -11.125 1.00 3.24 N ATOM 984 NH2 ARG A 67 1.280 7.561 -12.823 1.00 3.83 N ATOM 0 H ARG A 67 -2.820 6.072 -7.538 1.00 0.45 H new ATOM 0 HA ARG A 67 -4.227 5.516 -10.064 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -1.498 6.643 -9.403 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -1.817 5.910 -10.963 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -3.526 7.558 -11.470 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -3.463 8.205 -9.843 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -2.212 9.605 -11.490 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -1.204 9.037 -10.174 1.00 1.48 H new ATOM 0 HE ARG A 67 -1.220 7.577 -12.792 1.00 2.15 H new ATOM 0 HH11 ARG A 67 0.482 9.702 -10.522 1.00 3.24 H new ATOM 0 HH12 ARG A 67 2.086 9.222 -11.086 1.00 3.24 H new ATOM 0 HH21 ARG A 67 0.850 6.943 -13.511 1.00 3.83 H new ATOM 0 HH22 ARG A 67 2.295 7.655 -12.785 1.00 3.83 H new ATOM 998 N VAL A 68 -2.938 3.375 -8.369 1.00 0.35 N ATOM 999 CA VAL A 68 -2.539 1.992 -8.333 1.00 0.34 C ATOM 1000 C VAL A 68 -3.749 1.067 -8.328 1.00 0.39 C ATOM 1001 O VAL A 68 -4.828 1.435 -7.830 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.538 1.637 -7.198 1.00 0.32 C ATOM 1003 CG1 VAL A 68 -0.234 2.382 -7.402 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -2.100 1.936 -5.821 1.00 0.36 C ATOM 0 H VAL A 68 -3.318 3.743 -7.497 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.982 1.829 -9.256 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.358 0.563 -7.248 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.460 2.126 -6.602 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.199 2.101 -8.362 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.422 3.456 -7.390 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.364 1.671 -5.062 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.333 2.998 -5.746 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -3.008 1.354 -5.664 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.574 -0.117 -8.880 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.683 -1.076 -9.024 1.00 0.49 C ATOM 1016 C ASP A 69 -4.511 -2.222 -8.062 1.00 0.40 C ATOM 1017 O ASP A 69 -5.423 -2.580 -7.303 1.00 0.39 O ATOM 1018 CB ASP A 69 -4.714 -1.640 -10.460 1.00 0.68 C ATOM 1019 CG ASP A 69 -5.926 -2.512 -10.746 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -7.063 -1.987 -10.748 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -5.765 -3.710 -10.998 1.00 0.86 O ATOM 0 H ASP A 69 -2.680 -0.450 -9.240 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.615 -0.553 -8.810 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -4.699 -0.811 -11.167 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -3.809 -2.223 -10.632 1.00 0.68 H new ATOM 1026 N THR A 70 -3.339 -2.797 -8.103 1.00 0.38 N ATOM 1027 CA THR A 70 -3.006 -3.919 -7.299 1.00 0.35 C ATOM 1028 C THR A 70 -1.911 -3.523 -6.285 1.00 0.33 C ATOM 1029 O THR A 70 -1.138 -2.572 -6.539 1.00 0.33 O ATOM 1030 CB THR A 70 -2.545 -5.071 -8.231 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.451 -4.620 -9.049 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.679 -5.469 -9.161 1.00 0.47 C ATOM 0 H THR A 70 -2.582 -2.485 -8.711 1.00 0.38 H new ATOM 0 HA THR A 70 -3.870 -4.260 -6.728 1.00 0.35 H new ATOM 0 HB THR A 70 -2.244 -5.917 -7.613 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.159 -5.349 -9.636 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.348 -6.278 -9.812 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.533 -5.804 -8.571 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.970 -4.611 -9.767 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.848 -4.199 -5.112 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.882 -3.896 -4.040 1.00 0.33 C ATOM 1042 C PRO A 71 0.563 -3.870 -4.510 1.00 0.29 C ATOM 1043 O PRO A 71 1.364 -3.093 -4.005 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.087 -5.042 -3.052 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.498 -5.418 -3.244 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.736 -5.301 -4.713 1.00 0.39 C ATOM 0 HA PRO A 71 -1.053 -2.902 -3.628 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.418 -5.876 -3.262 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -0.892 -4.727 -2.027 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.687 -6.433 -2.894 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.161 -4.759 -2.684 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.490 -6.225 -5.235 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.779 -5.078 -4.935 1.00 0.39 H new ATOM 1054 N ARG A 72 0.877 -4.694 -5.499 1.00 0.31 N ATOM 1055 CA ARG A 72 2.234 -4.786 -6.041 1.00 0.31 C ATOM 1056 C ARG A 72 2.719 -3.450 -6.601 1.00 0.29 C ATOM 1057 O ARG A 72 3.898 -3.133 -6.532 1.00 0.31 O ATOM 1058 CB ARG A 72 2.320 -5.885 -7.104 1.00 0.36 C ATOM 1059 CG ARG A 72 1.418 -5.687 -8.308 1.00 0.48 C ATOM 1060 CD ARG A 72 1.491 -6.870 -9.239 1.00 0.58 C ATOM 1061 NE ARG A 72 2.853 -7.111 -9.719 1.00 1.01 N ATOM 1062 CZ ARG A 72 3.388 -8.323 -9.929 1.00 1.40 C ATOM 1063 NH1 ARG A 72 2.660 -9.417 -9.743 1.00 1.35 N ATOM 1064 NH2 ARG A 72 4.648 -8.434 -10.360 1.00 2.47 N ATOM 0 H ARG A 72 0.206 -5.316 -5.949 1.00 0.31 H new ATOM 0 HA ARG A 72 2.895 -5.049 -5.215 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.351 -5.955 -7.450 1.00 0.36 H new ATOM 0 HB3 ARG A 72 2.074 -6.839 -6.638 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.390 -5.544 -7.977 1.00 0.48 H new ATOM 0 HG3 ARG A 72 1.710 -4.782 -8.841 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.126 -7.759 -8.724 1.00 0.58 H new ATOM 0 HD3 ARG A 72 0.832 -6.702 -10.090 1.00 0.58 H new ATOM 0 HE ARG A 72 3.438 -6.297 -9.908 1.00 1.01 H new ATOM 0 HH11 ARG A 72 1.689 -9.338 -9.439 1.00 1.35 H new ATOM 0 HH12 ARG A 72 3.071 -10.337 -9.904 1.00 1.35 H new ATOM 0 HH21 ARG A 72 5.205 -7.596 -10.530 1.00 2.47 H new ATOM 0 HH22 ARG A 72 5.053 -9.356 -10.519 1.00 2.47 H new ATOM 1078 N GLU A 73 1.794 -2.653 -7.092 1.00 0.28 N ATOM 1079 CA GLU A 73 2.126 -1.373 -7.676 1.00 0.28 C ATOM 1080 C GLU A 73 2.446 -0.375 -6.573 1.00 0.25 C ATOM 1081 O GLU A 73 3.429 0.356 -6.647 1.00 0.25 O ATOM 1082 CB GLU A 73 0.968 -0.887 -8.537 1.00 0.33 C ATOM 1083 CG GLU A 73 0.542 -1.887 -9.602 1.00 0.45 C ATOM 1084 CD GLU A 73 1.626 -2.194 -10.604 1.00 1.15 C ATOM 1085 OE1 GLU A 73 2.633 -2.830 -10.253 1.00 2.06 O ATOM 1086 OE2 GLU A 73 1.481 -1.799 -11.772 1.00 1.24 O ATOM 0 H GLU A 73 0.798 -2.873 -7.097 1.00 0.28 H new ATOM 0 HA GLU A 73 3.006 -1.474 -8.312 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.115 -0.667 -7.895 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.252 0.048 -9.020 1.00 0.33 H new ATOM 0 HG2 GLU A 73 0.233 -2.813 -9.117 1.00 0.45 H new ATOM 0 HG3 GLU A 73 -0.329 -1.497 -10.128 1.00 0.45 H new ATOM 1093 N LEU A 74 1.637 -0.410 -5.519 1.00 0.27 N ATOM 1094 CA LEU A 74 1.805 0.469 -4.354 1.00 0.27 C ATOM 1095 C LEU A 74 3.118 0.126 -3.684 1.00 0.25 C ATOM 1096 O LEU A 74 3.899 0.997 -3.299 1.00 0.25 O ATOM 1097 CB LEU A 74 0.647 0.214 -3.369 1.00 0.30 C ATOM 1098 CG LEU A 74 0.409 1.224 -2.204 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.432 1.093 -1.081 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.386 2.653 -2.732 1.00 1.00 C ATOM 0 H LEU A 74 0.844 -1.047 -5.443 1.00 0.27 H new ATOM 0 HA LEU A 74 1.803 1.515 -4.659 1.00 0.27 H new ATOM 0 HB2 LEU A 74 -0.273 0.159 -3.950 1.00 0.30 H new ATOM 0 HB3 LEU A 74 0.803 -0.769 -2.925 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.563 0.978 -1.775 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.212 1.822 -0.301 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.385 0.088 -0.661 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.431 1.275 -1.476 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.219 3.344 -1.905 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.340 2.880 -3.208 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.417 2.759 -3.461 1.00 1.00 H new ATOM 1112 N LEU A 75 3.343 -1.151 -3.560 1.00 0.29 N ATOM 1113 CA LEU A 75 4.505 -1.675 -2.941 1.00 0.34 C ATOM 1114 C LEU A 75 5.770 -1.266 -3.710 1.00 0.29 C ATOM 1115 O LEU A 75 6.793 -0.959 -3.103 1.00 0.30 O ATOM 1116 CB LEU A 75 4.367 -3.171 -2.887 1.00 0.49 C ATOM 1117 CG LEU A 75 5.505 -3.915 -2.287 1.00 0.42 C ATOM 1118 CD1 LEU A 75 5.635 -3.629 -0.794 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.366 -5.379 -2.579 1.00 0.90 C ATOM 0 H LEU A 75 2.700 -1.867 -3.899 1.00 0.29 H new ATOM 0 HA LEU A 75 4.604 -1.273 -1.932 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.466 -3.411 -2.323 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.215 -3.538 -3.902 1.00 0.49 H new ATOM 0 HG LEU A 75 6.433 -3.569 -2.743 1.00 0.42 H new ATOM 0 HD11 LEU A 75 6.477 -4.190 -0.388 1.00 0.43 H new ATOM 0 HD12 LEU A 75 5.801 -2.563 -0.641 1.00 0.43 H new ATOM 0 HD13 LEU A 75 4.720 -3.930 -0.285 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.203 -5.919 -2.137 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.432 -5.747 -2.155 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.362 -5.536 -3.658 1.00 0.90 H new ATOM 1131 N ASP A 76 5.679 -1.220 -5.041 1.00 0.29 N ATOM 1132 CA ASP A 76 6.822 -0.826 -5.877 1.00 0.33 C ATOM 1133 C ASP A 76 7.136 0.637 -5.672 1.00 0.29 C ATOM 1134 O ASP A 76 8.296 1.052 -5.717 1.00 0.33 O ATOM 1135 CB ASP A 76 6.571 -1.086 -7.360 1.00 0.40 C ATOM 1136 CG ASP A 76 7.814 -0.832 -8.203 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.028 0.314 -8.673 1.00 0.63 O ATOM 1138 OD2 ASP A 76 8.602 -1.782 -8.403 1.00 0.70 O ATOM 0 H ASP A 76 4.833 -1.448 -5.563 1.00 0.29 H new ATOM 0 HA ASP A 76 7.670 -1.438 -5.569 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.245 -2.117 -7.497 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.760 -0.446 -7.708 1.00 0.40 H new ATOM 1143 N LEU A 77 6.095 1.422 -5.420 1.00 0.25 N ATOM 1144 CA LEU A 77 6.255 2.840 -5.119 1.00 0.25 C ATOM 1145 C LEU A 77 7.080 2.999 -3.838 1.00 0.26 C ATOM 1146 O LEU A 77 7.920 3.908 -3.713 1.00 0.32 O ATOM 1147 CB LEU A 77 4.890 3.488 -4.943 1.00 0.26 C ATOM 1148 CG LEU A 77 3.934 3.370 -6.121 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.575 3.955 -5.767 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.509 4.046 -7.355 1.00 0.38 C ATOM 0 H LEU A 77 5.127 1.099 -5.418 1.00 0.25 H new ATOM 0 HA LEU A 77 6.773 3.329 -5.944 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.412 3.048 -4.068 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.038 4.546 -4.727 1.00 0.26 H new ATOM 0 HG LEU A 77 3.802 2.312 -6.348 1.00 0.31 H new ATOM 0 HD11 LEU A 77 1.905 3.862 -6.622 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.157 3.415 -4.917 1.00 0.35 H new ATOM 0 HD13 LEU A 77 2.688 5.008 -5.508 1.00 0.35 H new ATOM 0 HD21 LEU A 77 3.808 3.948 -8.184 1.00 0.38 H new ATOM 0 HD22 LEU A 77 4.678 5.102 -7.146 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.454 3.573 -7.622 1.00 0.38 H new ATOM 1162 N ILE A 78 6.836 2.104 -2.903 1.00 0.25 N ATOM 1163 CA ILE A 78 7.583 2.041 -1.662 1.00 0.29 C ATOM 1164 C ILE A 78 9.004 1.588 -1.958 1.00 0.34 C ATOM 1165 O ILE A 78 9.952 2.260 -1.590 1.00 0.40 O ATOM 1166 CB ILE A 78 6.914 1.062 -0.656 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.522 1.568 -0.282 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.772 0.863 0.597 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.526 2.918 0.412 1.00 0.46 C ATOM 0 H ILE A 78 6.108 1.394 -2.983 1.00 0.25 H new ATOM 0 HA ILE A 78 7.595 3.032 -1.209 1.00 0.29 H new ATOM 0 HB ILE A 78 6.821 0.091 -1.142 1.00 0.33 H new ATOM 0 HG12 ILE A 78 4.916 1.636 -1.185 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.043 0.837 0.369 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.271 0.173 1.275 1.00 0.43 H new ATOM 0 HG22 ILE A 78 8.741 0.453 0.313 1.00 0.43 H new ATOM 0 HG23 ILE A 78 7.916 1.822 1.096 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.502 3.210 0.646 1.00 0.46 H new ATOM 0 HD12 ILE A 78 6.104 2.852 1.334 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.975 3.663 -0.245 1.00 0.46 H new ATOM 1181 N ASN A 79 9.123 0.430 -2.622 1.00 0.37 N ATOM 1182 CA ASN A 79 10.417 -0.170 -3.012 1.00 0.46 C ATOM 1183 C ASN A 79 11.328 0.862 -3.666 1.00 0.40 C ATOM 1184 O ASN A 79 12.479 1.039 -3.252 1.00 0.45 O ATOM 1185 CB ASN A 79 10.221 -1.350 -3.995 1.00 0.62 C ATOM 1186 CG ASN A 79 9.469 -2.556 -3.434 1.00 0.84 C ATOM 1187 OD1 ASN A 79 8.781 -3.255 -4.169 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.605 -2.822 -2.155 1.00 0.56 N ATOM 0 H ASN A 79 8.318 -0.126 -2.909 1.00 0.37 H new ATOM 0 HA ASN A 79 10.879 -0.537 -2.096 1.00 0.46 H new ATOM 0 HB2 ASN A 79 9.685 -0.985 -4.871 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.201 -1.682 -4.337 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.131 -3.629 -1.749 1.00 0.56 H new ATOM 0 HD22 ASN A 79 10.184 -2.222 -1.568 1.00 0.56 H new ATOM 1195 N GLY A 80 10.778 1.569 -4.642 1.00 0.38 N ATOM 1196 CA GLY A 80 11.509 2.584 -5.367 1.00 0.41 C ATOM 1197 C GLY A 80 12.057 3.684 -4.472 1.00 0.45 C ATOM 1198 O GLY A 80 13.239 4.024 -4.544 1.00 0.55 O ATOM 0 H GLY A 80 9.813 1.451 -4.950 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.335 2.115 -5.902 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.854 3.028 -6.117 1.00 0.41 H new ATOM 1202 N ALA A 81 11.218 4.201 -3.598 1.00 0.44 N ATOM 1203 CA ALA A 81 11.615 5.284 -2.715 1.00 0.51 C ATOM 1204 C ALA A 81 12.530 4.788 -1.592 1.00 0.54 C ATOM 1205 O ALA A 81 13.348 5.541 -1.063 1.00 0.69 O ATOM 1206 CB ALA A 81 10.385 5.978 -2.144 1.00 0.52 C ATOM 0 H ALA A 81 10.254 3.889 -3.478 1.00 0.44 H new ATOM 0 HA ALA A 81 12.183 6.005 -3.303 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.697 6.787 -1.484 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.786 6.385 -2.959 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.791 5.259 -1.580 1.00 0.52 H new ATOM 1212 N LEU A 82 12.402 3.522 -1.254 1.00 0.44 N ATOM 1213 CA LEU A 82 13.164 2.923 -0.197 1.00 0.50 C ATOM 1214 C LEU A 82 14.613 2.704 -0.624 1.00 0.60 C ATOM 1215 O LEU A 82 15.538 2.951 0.153 1.00 0.70 O ATOM 1216 CB LEU A 82 12.519 1.607 0.224 1.00 0.48 C ATOM 1217 CG LEU A 82 13.212 0.877 1.348 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.142 1.668 2.653 1.00 0.60 C ATOM 1219 CD2 LEU A 82 12.662 -0.517 1.513 1.00 0.66 C ATOM 0 H LEU A 82 11.757 2.880 -1.715 1.00 0.44 H new ATOM 0 HA LEU A 82 13.170 3.601 0.656 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.490 1.806 0.523 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.478 0.948 -0.643 1.00 0.48 H new ATOM 0 HG LEU A 82 14.265 0.784 1.083 1.00 0.58 H new ATOM 0 HD11 LEU A 82 13.651 1.114 3.442 1.00 0.60 H new ATOM 0 HD12 LEU A 82 13.626 2.635 2.519 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.099 1.820 2.931 1.00 0.60 H new ATOM 0 HD21 LEU A 82 13.181 -1.018 2.330 1.00 0.66 H new ATOM 0 HD22 LEU A 82 11.597 -0.464 1.738 1.00 0.66 H new ATOM 0 HD23 LEU A 82 12.810 -1.078 0.590 1.00 0.66 H new ATOM 1231 N ALA A 83 14.804 2.274 -1.865 1.00 0.64 N ATOM 1232 CA ALA A 83 16.142 2.067 -2.412 1.00 0.79 C ATOM 1233 C ALA A 83 16.898 3.394 -2.454 1.00 0.95 C ATOM 1234 O ALA A 83 18.097 3.461 -2.203 1.00 1.13 O ATOM 1235 CB ALA A 83 16.054 1.454 -3.802 1.00 0.86 C ATOM 0 H ALA A 83 14.047 2.061 -2.515 1.00 0.64 H new ATOM 0 HA ALA A 83 16.687 1.376 -1.768 1.00 0.79 H new ATOM 0 HB1 ALA A 83 17.058 1.305 -4.198 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.540 0.494 -3.745 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.500 2.123 -4.460 1.00 0.86 H new ATOM 1241 N GLU A 84 16.155 4.450 -2.727 1.00 0.95 N ATOM 1242 CA GLU A 84 16.674 5.802 -2.746 1.00 1.17 C ATOM 1243 C GLU A 84 17.033 6.269 -1.327 1.00 1.25 C ATOM 1244 O GLU A 84 18.023 6.978 -1.130 1.00 1.52 O ATOM 1245 CB GLU A 84 15.635 6.731 -3.379 1.00 1.23 C ATOM 1246 CG GLU A 84 15.978 7.224 -4.779 1.00 1.40 C ATOM 1247 CD GLU A 84 16.389 6.135 -5.742 1.00 1.80 C ATOM 1248 OE1 GLU A 84 17.598 5.794 -5.826 1.00 2.17 O ATOM 1249 OE2 GLU A 84 15.504 5.568 -6.408 1.00 2.47 O ATOM 0 H GLU A 84 15.160 4.390 -2.945 1.00 0.95 H new ATOM 0 HA GLU A 84 17.587 5.828 -3.341 1.00 1.17 H new ATOM 0 HB2 GLU A 84 14.679 6.209 -3.418 1.00 1.23 H new ATOM 0 HB3 GLU A 84 15.499 7.595 -2.729 1.00 1.23 H new ATOM 0 HG2 GLU A 84 15.114 7.747 -5.189 1.00 1.40 H new ATOM 0 HG3 GLU A 84 16.786 7.952 -4.707 1.00 1.40 H new ATOM 1256 N ALA A 85 16.246 5.826 -0.347 1.00 1.13 N ATOM 1257 CA ALA A 85 16.464 6.177 1.054 1.00 1.31 C ATOM 1258 C ALA A 85 17.735 5.520 1.597 1.00 1.69 C ATOM 1259 O ALA A 85 18.454 6.131 2.392 1.00 2.07 O ATOM 1260 CB ALA A 85 15.256 5.797 1.901 1.00 1.28 C ATOM 0 H ALA A 85 15.443 5.216 -0.502 1.00 1.13 H new ATOM 0 HA ALA A 85 16.595 7.258 1.111 1.00 1.31 H new ATOM 0 HB1 ALA A 85 15.441 6.068 2.941 1.00 1.28 H new ATOM 0 HB2 ALA A 85 14.376 6.328 1.539 1.00 1.28 H new ATOM 0 HB3 ALA A 85 15.086 4.723 1.831 1.00 1.28 H new ATOM 1266 N ALA A 86 17.981 4.283 1.158 1.00 1.91 N ATOM 1267 CA ALA A 86 19.187 3.503 1.488 1.00 2.53 C ATOM 1268 C ALA A 86 19.266 3.103 2.969 1.00 2.95 C ATOM 1269 O ALA A 86 18.767 2.017 3.325 1.00 3.39 O ATOM 1270 CB ALA A 86 20.467 4.206 1.021 1.00 3.21 C ATOM 1271 OXT ALA A 86 19.865 3.839 3.782 1.00 3.44 O ATOM 0 H ALA A 86 17.335 3.780 0.549 1.00 1.91 H new ATOM 0 HA ALA A 86 19.100 2.571 0.930 1.00 2.53 H new ATOM 0 HB1 ALA A 86 21.333 3.598 1.284 1.00 3.21 H new ATOM 0 HB2 ALA A 86 20.434 4.342 -0.060 1.00 3.21 H new ATOM 0 HB3 ALA A 86 20.546 5.179 1.507 1.00 3.21 H new TER 1277 ALA A 86 HETATM 1278 P24 SDO A 101 -8.239 9.306 -4.023 1.00 1.71 P HETATM 1279 O26 SDO A 101 -9.766 9.440 -4.295 1.00 2.14 O HETATM 1280 O23 SDO A 101 -7.318 8.799 -5.176 1.00 2.28 O HETATM 1281 O27 SDO A 101 -7.684 10.686 -3.599 1.00 1.72 O HETATM 1282 C28 SDO A 101 -8.185 11.315 -2.372 1.00 1.71 C HETATM 1283 C29 SDO A 101 -7.604 12.727 -2.220 1.00 1.77 C HETATM 1284 C30 SDO A 101 -8.018 13.261 -0.862 1.00 1.95 C HETATM 1285 C31 SDO A 101 -6.070 12.667 -2.288 1.00 1.99 C HETATM 1286 C32 SDO A 101 -8.123 13.666 -3.392 1.00 2.08 C HETATM 1287 O33 SDO A 101 -7.441 14.930 -3.392 1.00 2.35 O HETATM 1288 C34 SDO A 101 -9.656 13.929 -3.347 1.00 2.45 C HETATM 1289 O35 SDO A 101 -10.449 13.244 -2.684 1.00 3.01 O HETATM 1290 N36 SDO A 101 -10.054 14.958 -4.052 1.00 2.76 N HETATM 1291 C37 SDO A 101 -11.451 15.416 -4.152 1.00 3.46 C HETATM 1292 C38 SDO A 101 -11.613 16.846 -3.629 1.00 3.69 C HETATM 1293 C39 SDO A 101 -11.337 16.993 -2.120 1.00 3.12 C HETATM 1294 O40 SDO A 101 -10.972 18.076 -1.636 1.00 3.47 O HETATM 1295 N41 SDO A 101 -11.472 15.889 -1.400 1.00 2.75 N HETATM 1296 C42 SDO A 101 -11.231 15.793 0.030 1.00 2.56 C HETATM 1297 C43 SDO A 101 -11.782 14.511 0.599 1.00 3.16 C HETATM 1298 S1 SDO A 101 -11.432 14.095 2.332 1.00 3.65 S HETATM 1299 C1 SDO A 101 -10.428 15.289 3.271 1.00 3.41 C HETATM 1300 C2 SDO A 101 -9.930 16.548 2.579 1.00 3.06 C HETATM 1301 C3 SDO A 101 -9.049 17.595 3.386 1.00 3.84 C HETATM 1302 O3 SDO A 101 -8.664 18.587 2.758 1.00 4.23 O HETATM 1303 C4 SDO A 101 -8.596 17.496 4.905 1.00 4.62 C HETATM 1304 C5 SDO A 101 -9.016 16.279 5.749 1.00 4.78 C HETATM 1305 C6 SDO A 101 -8.444 16.328 7.175 1.00 5.75 C HETATM 1306 C7 SDO A 101 -9.146 17.294 8.158 1.00 6.28 C HETATM 1307 O7 SDO A 101 -8.740 17.393 9.325 1.00 7.10 O HETATM 1308 C8 SDO A 101 -10.332 18.130 7.692 1.00 6.09 C