USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 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 17 SER OG : rot 82:sc= 2.91 USER MOD Set 1.2: A 40 TYR OH : rot 35:sc= 1.98 USER MOD Set 1.3: A 48 THR OG1 : rot -54:sc= 1.04 USER MOD Single : A 3 THR OG1 : rot 107:sc= 1.26 USER MOD Single : A 6 THR OG1 : rot -6:sc= 1.09 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 95:sc= 1.24 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0387 USER MOD Single : A 46 MET CE :methyl 174:sc= 0 (180deg=-0.0117) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 110:sc= -0.179 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -160:sc= -0.166 USER MOD Single : A 79 ASN : amide:sc= 0.439 K(o=0.44,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 15.006 -7.077 -3.729 1.00 1.52 N ATOM 31 CA THR A 3 14.169 -7.214 -2.591 1.00 1.28 C ATOM 32 C THR A 3 12.886 -6.454 -2.878 1.00 1.04 C ATOM 33 O THR A 3 12.886 -5.237 -2.941 1.00 1.23 O ATOM 34 CB THR A 3 14.909 -6.620 -1.385 1.00 1.66 C ATOM 35 OG1 THR A 3 15.761 -5.538 -1.839 1.00 2.10 O ATOM 36 CG2 THR A 3 15.755 -7.681 -0.701 1.00 2.36 C ATOM 0 HA THR A 3 13.929 -8.255 -2.374 1.00 1.28 H new ATOM 0 HB THR A 3 14.178 -6.246 -0.668 1.00 1.66 H new ATOM 0 HG1 THR A 3 15.372 -4.680 -1.570 1.00 2.10 H new ATOM 0 HG21 THR A 3 16.272 -7.240 0.152 1.00 2.36 H new ATOM 0 HG22 THR A 3 15.113 -8.492 -0.357 1.00 2.36 H new ATOM 0 HG23 THR A 3 16.488 -8.073 -1.407 1.00 2.36 H new ATOM 44 N LEU A 4 11.822 -7.178 -3.137 1.00 0.77 N ATOM 45 CA LEU A 4 10.559 -6.581 -3.514 1.00 0.59 C ATOM 46 C LEU A 4 9.443 -7.216 -2.714 1.00 0.58 C ATOM 47 O LEU A 4 9.625 -8.290 -2.132 1.00 0.79 O ATOM 48 CB LEU A 4 10.289 -6.818 -5.019 1.00 0.63 C ATOM 49 CG LEU A 4 11.352 -6.317 -6.010 1.00 0.70 C ATOM 50 CD1 LEU A 4 10.966 -6.671 -7.430 1.00 0.86 C ATOM 51 CD2 LEU A 4 11.546 -4.822 -5.887 1.00 0.64 C ATOM 0 H LEU A 4 11.806 -8.197 -3.093 1.00 0.77 H new ATOM 0 HA LEU A 4 10.602 -5.510 -3.315 1.00 0.59 H new ATOM 0 HB2 LEU A 4 10.160 -7.889 -5.175 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.341 -6.343 -5.271 1.00 0.63 H new ATOM 0 HG LEU A 4 12.293 -6.810 -5.766 1.00 0.70 H new ATOM 0 HD11 LEU A 4 11.731 -6.308 -8.116 1.00 0.86 H new ATOM 0 HD12 LEU A 4 10.878 -7.753 -7.524 1.00 0.86 H new ATOM 0 HD13 LEU A 4 10.010 -6.207 -7.674 1.00 0.86 H new ATOM 0 HD21 LEU A 4 12.303 -4.494 -6.599 1.00 0.64 H new ATOM 0 HD22 LEU A 4 10.605 -4.314 -6.098 1.00 0.64 H new ATOM 0 HD23 LEU A 4 11.870 -4.579 -4.875 1.00 0.64 H new ATOM 63 N LEU A 5 8.304 -6.570 -2.676 1.00 0.53 N ATOM 64 CA LEU A 5 7.151 -7.136 -2.032 1.00 0.58 C ATOM 65 C LEU A 5 6.109 -7.386 -3.092 1.00 0.47 C ATOM 66 O LEU A 5 6.002 -6.606 -4.049 1.00 0.54 O ATOM 67 CB LEU A 5 6.635 -6.264 -0.835 1.00 0.85 C ATOM 68 CG LEU A 5 6.122 -4.821 -1.095 1.00 0.59 C ATOM 69 CD1 LEU A 5 4.725 -4.803 -1.679 1.00 0.85 C ATOM 70 CD2 LEU A 5 6.144 -4.018 0.184 1.00 1.27 C ATOM 0 H LEU A 5 8.153 -5.648 -3.086 1.00 0.53 H new ATOM 0 HA LEU A 5 7.414 -8.084 -1.563 1.00 0.58 H new ATOM 0 HB2 LEU A 5 5.826 -6.815 -0.356 1.00 0.85 H new ATOM 0 HB3 LEU A 5 7.446 -6.195 -0.110 1.00 0.85 H new ATOM 0 HG LEU A 5 6.794 -4.373 -1.826 1.00 0.59 H new ATOM 0 HD11 LEU A 5 4.412 -3.772 -1.842 1.00 0.85 H new ATOM 0 HD12 LEU A 5 4.721 -5.338 -2.629 1.00 0.85 H new ATOM 0 HD13 LEU A 5 4.035 -5.286 -0.987 1.00 0.85 H new ATOM 0 HD21 LEU A 5 5.782 -3.009 -0.014 1.00 1.27 H new ATOM 0 HD22 LEU A 5 5.502 -4.495 0.924 1.00 1.27 H new ATOM 0 HD23 LEU A 5 7.164 -3.969 0.565 1.00 1.27 H new ATOM 82 N THR A 6 5.382 -8.445 -2.955 1.00 0.43 N ATOM 83 CA THR A 6 4.435 -8.838 -3.950 1.00 0.48 C ATOM 84 C THR A 6 3.015 -8.522 -3.515 1.00 0.49 C ATOM 85 O THR A 6 2.803 -7.845 -2.492 1.00 0.52 O ATOM 86 CB THR A 6 4.570 -10.341 -4.300 1.00 0.58 C ATOM 87 OG1 THR A 6 4.441 -11.155 -3.105 1.00 0.64 O ATOM 88 CG2 THR A 6 5.906 -10.622 -4.964 1.00 0.76 C ATOM 0 H THR A 6 5.427 -9.066 -2.147 1.00 0.43 H new ATOM 0 HA THR A 6 4.655 -8.260 -4.848 1.00 0.48 H new ATOM 0 HB THR A 6 3.770 -10.596 -4.995 1.00 0.58 H new ATOM 0 HG1 THR A 6 4.396 -10.574 -2.317 1.00 0.64 H new ATOM 0 HG21 THR A 6 5.979 -11.684 -5.201 1.00 0.76 H new ATOM 0 HG22 THR A 6 5.986 -10.039 -5.882 1.00 0.76 H new ATOM 0 HG23 THR A 6 6.714 -10.345 -4.287 1.00 0.76 H new ATOM 96 N THR A 7 2.059 -9.026 -4.267 1.00 0.56 N ATOM 97 CA THR A 7 0.661 -8.847 -3.993 1.00 0.62 C ATOM 98 C THR A 7 0.296 -9.384 -2.617 1.00 0.64 C ATOM 99 O THR A 7 -0.395 -8.730 -1.875 1.00 0.73 O ATOM 100 CB THR A 7 -0.162 -9.545 -5.079 1.00 0.74 C ATOM 101 OG1 THR A 7 0.411 -10.846 -5.350 1.00 1.34 O ATOM 102 CG2 THR A 7 -0.160 -8.718 -6.346 1.00 1.19 C ATOM 0 H THR A 7 2.243 -9.582 -5.102 1.00 0.56 H new ATOM 0 HA THR A 7 0.437 -7.780 -3.998 1.00 0.62 H new ATOM 0 HB THR A 7 -1.189 -9.659 -4.733 1.00 0.74 H new ATOM 0 HG1 THR A 7 -0.114 -11.297 -6.044 1.00 1.34 H new ATOM 0 HG21 THR A 7 -0.748 -9.224 -7.112 1.00 1.19 H new ATOM 0 HG22 THR A 7 -0.594 -7.739 -6.142 1.00 1.19 H new ATOM 0 HG23 THR A 7 0.864 -8.594 -6.698 1.00 1.19 H new ATOM 110 N ASP A 8 0.817 -10.557 -2.286 1.00 0.65 N ATOM 111 CA ASP A 8 0.549 -11.229 -1.012 1.00 0.71 C ATOM 112 C ASP A 8 1.003 -10.384 0.163 1.00 0.65 C ATOM 113 O ASP A 8 0.295 -10.254 1.165 1.00 0.69 O ATOM 114 CB ASP A 8 1.257 -12.589 -0.954 1.00 0.86 C ATOM 115 CG ASP A 8 0.763 -13.573 -1.987 1.00 1.61 C ATOM 116 OD1 ASP A 8 1.308 -13.605 -3.109 1.00 2.44 O ATOM 117 OD2 ASP A 8 -0.170 -14.345 -1.697 1.00 1.74 O ATOM 0 H ASP A 8 1.445 -11.079 -2.898 1.00 0.65 H new ATOM 0 HA ASP A 8 -0.529 -11.377 -0.947 1.00 0.71 H new ATOM 0 HB2 ASP A 8 2.328 -12.438 -1.091 1.00 0.86 H new ATOM 0 HB3 ASP A 8 1.120 -13.018 0.039 1.00 0.86 H new ATOM 122 N ASP A 9 2.168 -9.788 0.015 1.00 0.60 N ATOM 123 CA ASP A 9 2.769 -8.971 1.061 1.00 0.61 C ATOM 124 C ASP A 9 1.958 -7.699 1.233 1.00 0.56 C ATOM 125 O ASP A 9 1.569 -7.333 2.350 1.00 0.62 O ATOM 126 CB ASP A 9 4.214 -8.597 0.697 1.00 0.64 C ATOM 127 CG ASP A 9 5.091 -9.781 0.352 1.00 1.13 C ATOM 128 OD1 ASP A 9 5.663 -10.429 1.257 1.00 1.32 O ATOM 129 OD2 ASP A 9 5.242 -10.088 -0.856 1.00 2.06 O ATOM 0 H ASP A 9 2.730 -9.854 -0.834 1.00 0.60 H new ATOM 0 HA ASP A 9 2.776 -9.544 1.988 1.00 0.61 H new ATOM 0 HB2 ASP A 9 4.198 -7.911 -0.150 1.00 0.64 H new ATOM 0 HB3 ASP A 9 4.660 -8.059 1.534 1.00 0.64 H new ATOM 134 N LEU A 10 1.676 -7.050 0.104 1.00 0.52 N ATOM 135 CA LEU A 10 0.900 -5.816 0.067 1.00 0.51 C ATOM 136 C LEU A 10 -0.501 -6.051 0.616 1.00 0.52 C ATOM 137 O LEU A 10 -1.009 -5.255 1.390 1.00 0.58 O ATOM 138 CB LEU A 10 0.819 -5.293 -1.374 1.00 0.50 C ATOM 139 CG LEU A 10 0.044 -3.987 -1.583 1.00 0.51 C ATOM 140 CD1 LEU A 10 0.704 -2.839 -0.839 1.00 0.60 C ATOM 141 CD2 LEU A 10 -0.074 -3.670 -3.062 1.00 0.56 C ATOM 0 H LEU A 10 1.982 -7.369 -0.815 1.00 0.52 H new ATOM 0 HA LEU A 10 1.397 -5.072 0.690 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.835 -5.150 -1.743 1.00 0.50 H new ATOM 0 HB3 LEU A 10 0.361 -6.065 -1.992 1.00 0.50 H new ATOM 0 HG LEU A 10 -0.959 -4.118 -1.177 1.00 0.51 H new ATOM 0 HD11 LEU A 10 0.135 -1.924 -1.003 1.00 0.60 H new ATOM 0 HD12 LEU A 10 0.730 -3.064 0.227 1.00 0.60 H new ATOM 0 HD13 LEU A 10 1.721 -2.705 -1.206 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -0.627 -2.740 -3.192 1.00 0.56 H new ATOM 0 HD22 LEU A 10 0.922 -3.563 -3.492 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -0.602 -4.479 -3.567 1.00 0.56 H new ATOM 153 N ARG A 11 -1.088 -7.173 0.218 1.00 0.51 N ATOM 154 CA ARG A 11 -2.426 -7.594 0.625 1.00 0.54 C ATOM 155 C ARG A 11 -2.554 -7.587 2.131 1.00 0.53 C ATOM 156 O ARG A 11 -3.469 -6.992 2.669 1.00 0.57 O ATOM 157 CB ARG A 11 -2.695 -9.009 0.114 1.00 0.60 C ATOM 158 CG ARG A 11 -4.069 -9.568 0.436 1.00 0.82 C ATOM 159 CD ARG A 11 -4.149 -11.039 0.070 1.00 0.98 C ATOM 160 NE ARG A 11 -3.871 -11.291 -1.346 1.00 1.50 N ATOM 161 CZ ARG A 11 -2.954 -12.151 -1.803 1.00 2.13 C ATOM 162 NH1 ARG A 11 -2.309 -12.951 -0.950 1.00 2.32 N ATOM 163 NH2 ARG A 11 -2.722 -12.246 -3.116 1.00 3.08 N ATOM 0 H ARG A 11 -0.636 -7.834 -0.414 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.149 -6.896 0.202 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -2.563 -9.018 -0.968 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -1.942 -9.677 0.533 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -4.279 -9.440 1.498 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -4.831 -9.011 -0.109 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -3.439 -11.599 0.679 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -5.143 -11.415 0.312 1.00 0.98 H new ATOM 0 HE ARG A 11 -4.417 -10.773 -2.034 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -2.516 -12.905 0.048 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -1.609 -13.608 -1.296 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -3.244 -11.663 -3.770 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -2.023 -12.902 -3.464 1.00 3.08 H new ATOM 177 N ARG A 12 -1.602 -8.222 2.799 1.00 0.54 N ATOM 178 CA ARG A 12 -1.647 -8.334 4.255 1.00 0.59 C ATOM 179 C ARG A 12 -1.571 -6.966 4.930 1.00 0.61 C ATOM 180 O ARG A 12 -2.316 -6.690 5.868 1.00 0.66 O ATOM 181 CB ARG A 12 -0.554 -9.256 4.788 1.00 0.72 C ATOM 182 CG ARG A 12 -0.617 -10.676 4.255 1.00 0.94 C ATOM 183 CD ARG A 12 0.399 -11.554 4.951 1.00 1.09 C ATOM 184 NE ARG A 12 0.476 -12.904 4.380 1.00 1.71 N ATOM 185 CZ ARG A 12 0.516 -14.049 5.086 1.00 2.06 C ATOM 186 NH1 ARG A 12 0.341 -14.046 6.405 1.00 1.90 N ATOM 187 NH2 ARG A 12 0.723 -15.188 4.455 1.00 3.10 N ATOM 0 H ARG A 12 -0.794 -8.665 2.363 1.00 0.54 H new ATOM 0 HA ARG A 12 -2.610 -8.779 4.503 1.00 0.59 H new ATOM 0 HB2 ARG A 12 0.418 -8.830 4.538 1.00 0.72 H new ATOM 0 HB3 ARG A 12 -0.619 -9.286 5.876 1.00 0.72 H new ATOM 0 HG2 ARG A 12 -1.618 -11.081 4.404 1.00 0.94 H new ATOM 0 HG3 ARG A 12 -0.430 -10.675 3.181 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.380 -11.083 4.890 1.00 1.09 H new ATOM 0 HD3 ARG A 12 0.145 -11.627 6.008 1.00 1.09 H new ATOM 0 HE ARG A 12 0.501 -12.981 3.363 1.00 1.71 H new ATOM 0 HH11 ARG A 12 0.174 -13.167 6.895 1.00 1.90 H new ATOM 0 HH12 ARG A 12 0.374 -14.922 6.926 1.00 1.90 H new ATOM 0 HH21 ARG A 12 0.851 -15.195 3.443 1.00 3.10 H new ATOM 0 HH22 ARG A 12 0.756 -16.063 4.979 1.00 3.10 H new ATOM 201 N ALA A 13 -0.714 -6.098 4.426 1.00 0.66 N ATOM 202 CA ALA A 13 -0.570 -4.760 4.992 1.00 0.77 C ATOM 203 C ALA A 13 -1.810 -3.921 4.711 1.00 0.66 C ATOM 204 O ALA A 13 -2.231 -3.101 5.538 1.00 0.70 O ATOM 205 CB ALA A 13 0.649 -4.081 4.436 1.00 0.95 C ATOM 0 H ALA A 13 -0.107 -6.289 3.629 1.00 0.66 H new ATOM 0 HA ALA A 13 -0.454 -4.859 6.071 1.00 0.77 H new ATOM 0 HB1 ALA A 13 0.740 -3.085 4.869 1.00 0.95 H new ATOM 0 HB2 ALA A 13 1.535 -4.666 4.682 1.00 0.95 H new ATOM 0 HB3 ALA A 13 0.557 -3.999 3.353 1.00 0.95 H new ATOM 211 N LEU A 14 -2.407 -4.162 3.554 1.00 0.58 N ATOM 212 CA LEU A 14 -3.615 -3.487 3.126 1.00 0.57 C ATOM 213 C LEU A 14 -4.811 -3.988 3.943 1.00 0.56 C ATOM 214 O LEU A 14 -5.870 -3.389 3.948 1.00 0.77 O ATOM 215 CB LEU A 14 -3.824 -3.696 1.619 1.00 0.59 C ATOM 216 CG LEU A 14 -4.927 -2.873 0.946 1.00 0.69 C ATOM 217 CD1 LEU A 14 -4.692 -1.382 1.153 1.00 1.09 C ATOM 218 CD2 LEU A 14 -4.970 -3.187 -0.537 1.00 1.40 C ATOM 0 H LEU A 14 -2.058 -4.842 2.879 1.00 0.58 H new ATOM 0 HA LEU A 14 -3.520 -2.416 3.302 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -2.883 -3.478 1.114 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -4.039 -4.751 1.451 1.00 0.59 H new ATOM 0 HG LEU A 14 -5.882 -3.138 1.401 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -5.487 -0.817 0.667 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -4.689 -1.159 2.220 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -3.731 -1.102 0.721 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -5.756 -2.599 -1.011 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -4.010 -2.940 -0.989 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -5.175 -4.248 -0.678 1.00 1.40 H new ATOM 230 N VAL A 15 -4.637 -5.107 4.594 1.00 0.46 N ATOM 231 CA VAL A 15 -5.612 -5.597 5.544 1.00 0.49 C ATOM 232 C VAL A 15 -5.354 -4.907 6.890 1.00 0.52 C ATOM 233 O VAL A 15 -6.263 -4.332 7.486 1.00 0.66 O ATOM 234 CB VAL A 15 -5.532 -7.151 5.714 1.00 0.55 C ATOM 235 CG1 VAL A 15 -6.454 -7.629 6.824 1.00 0.67 C ATOM 236 CG2 VAL A 15 -5.903 -7.852 4.417 1.00 0.59 C ATOM 0 H VAL A 15 -3.819 -5.707 4.485 1.00 0.46 H new ATOM 0 HA VAL A 15 -6.612 -5.368 5.175 1.00 0.49 H new ATOM 0 HB VAL A 15 -4.504 -7.399 5.978 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -6.378 -8.712 6.919 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -6.164 -7.161 7.765 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -7.482 -7.358 6.585 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -5.841 -8.931 4.556 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -6.920 -7.580 4.135 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -5.214 -7.548 3.629 1.00 0.59 H new ATOM 246 N GLU A 16 -4.092 -4.946 7.332 1.00 0.48 N ATOM 247 CA GLU A 16 -3.647 -4.378 8.620 1.00 0.54 C ATOM 248 C GLU A 16 -4.115 -2.944 8.884 1.00 0.51 C ATOM 249 O GLU A 16 -4.477 -2.618 10.014 1.00 0.63 O ATOM 250 CB GLU A 16 -2.134 -4.444 8.761 1.00 0.64 C ATOM 251 CG GLU A 16 -1.580 -5.834 8.944 1.00 0.83 C ATOM 252 CD GLU A 16 -0.085 -5.824 9.087 1.00 1.12 C ATOM 253 OE1 GLU A 16 0.465 -4.951 9.796 1.00 1.14 O ATOM 254 OE2 GLU A 16 0.585 -6.685 8.492 1.00 1.94 O ATOM 0 H GLU A 16 -3.336 -5.378 6.801 1.00 0.48 H new ATOM 0 HA GLU A 16 -4.126 -5.006 9.371 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -1.680 -4.000 7.875 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -1.835 -3.833 9.613 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -2.027 -6.290 9.828 1.00 0.83 H new ATOM 0 HG3 GLU A 16 -1.859 -6.452 8.091 1.00 0.83 H new ATOM 261 N SER A 17 -4.095 -2.088 7.878 1.00 0.49 N ATOM 262 CA SER A 17 -4.522 -0.713 8.068 1.00 0.58 C ATOM 263 C SER A 17 -6.040 -0.574 8.342 1.00 0.66 C ATOM 264 O SER A 17 -6.477 0.373 8.993 1.00 0.98 O ATOM 265 CB SER A 17 -4.024 0.162 6.925 1.00 0.62 C ATOM 266 OG SER A 17 -4.117 -0.523 5.681 1.00 1.38 O ATOM 0 H SER A 17 -3.791 -2.316 6.931 1.00 0.49 H new ATOM 0 HA SER A 17 -4.056 -0.346 8.982 1.00 0.58 H new ATOM 0 HB2 SER A 17 -4.610 1.080 6.883 1.00 0.62 H new ATOM 0 HB3 SER A 17 -2.989 0.452 7.108 1.00 0.62 H new ATOM 0 HG SER A 17 -5.034 -0.459 5.340 1.00 1.38 H new ATOM 272 N ALA A 18 -6.826 -1.514 7.869 1.00 0.65 N ATOM 273 CA ALA A 18 -8.245 -1.517 8.168 1.00 0.88 C ATOM 274 C ALA A 18 -8.425 -2.217 9.493 1.00 0.85 C ATOM 275 O ALA A 18 -9.223 -1.815 10.349 1.00 1.04 O ATOM 276 CB ALA A 18 -9.034 -2.233 7.074 1.00 1.13 C ATOM 0 H ALA A 18 -6.512 -2.284 7.278 1.00 0.65 H new ATOM 0 HA ALA A 18 -8.621 -0.495 8.217 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -10.095 -2.221 7.323 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -8.879 -1.725 6.122 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -8.692 -3.265 6.995 1.00 1.13 H new ATOM 282 N GLY A 19 -7.658 -3.250 9.661 1.00 0.79 N ATOM 283 CA GLY A 19 -7.671 -3.978 10.859 1.00 0.97 C ATOM 284 C GLY A 19 -8.115 -5.378 10.629 1.00 1.18 C ATOM 285 O GLY A 19 -7.726 -6.017 9.645 1.00 1.57 O ATOM 0 H GLY A 19 -7.008 -3.601 8.958 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -6.674 -3.977 11.300 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -8.336 -3.495 11.575 1.00 0.97 H new ATOM 289 N GLU A 20 -8.951 -5.837 11.488 1.00 1.43 N ATOM 290 CA GLU A 20 -9.443 -7.179 11.459 1.00 1.75 C ATOM 291 C GLU A 20 -10.834 -7.191 10.855 1.00 1.79 C ATOM 292 O GLU A 20 -11.643 -8.075 11.135 1.00 2.30 O ATOM 293 CB GLU A 20 -9.442 -7.732 12.877 1.00 2.40 C ATOM 294 CG GLU A 20 -8.047 -7.808 13.497 1.00 3.14 C ATOM 295 CD GLU A 20 -7.143 -8.785 12.781 1.00 3.62 C ATOM 296 OE1 GLU A 20 -6.450 -8.403 11.802 1.00 3.97 O ATOM 297 OE2 GLU A 20 -7.125 -9.965 13.178 1.00 4.15 O ATOM 0 H GLU A 20 -9.326 -5.279 12.255 1.00 1.43 H new ATOM 0 HA GLU A 20 -8.805 -7.812 10.842 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -10.077 -7.106 13.504 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -9.884 -8.728 12.871 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -7.592 -6.818 13.479 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -8.134 -8.100 14.544 1.00 3.14 H new ATOM 304 N THR A 21 -11.088 -6.192 10.031 1.00 1.91 N ATOM 305 CA THR A 21 -12.315 -6.043 9.288 1.00 2.43 C ATOM 306 C THR A 21 -12.437 -7.194 8.283 1.00 2.45 C ATOM 307 O THR A 21 -11.811 -7.156 7.207 1.00 3.06 O ATOM 308 CB THR A 21 -12.234 -4.722 8.501 1.00 3.22 C ATOM 309 OG1 THR A 21 -11.791 -3.684 9.387 1.00 3.77 O ATOM 310 CG2 THR A 21 -13.590 -4.345 7.914 1.00 3.83 C ATOM 0 H THR A 21 -10.421 -5.440 9.858 1.00 1.91 H new ATOM 0 HA THR A 21 -13.170 -6.047 9.964 1.00 2.43 H new ATOM 0 HB THR A 21 -11.532 -4.847 7.676 1.00 3.22 H new ATOM 0 HG1 THR A 21 -11.734 -2.838 8.896 1.00 3.77 H new ATOM 0 HG21 THR A 21 -13.501 -3.408 7.364 1.00 3.83 H new ATOM 0 HG22 THR A 21 -13.925 -5.132 7.238 1.00 3.83 H new ATOM 0 HG23 THR A 21 -14.315 -4.225 8.719 1.00 3.83 H new ATOM 318 N ASP A 22 -13.128 -8.245 8.660 1.00 2.17 N ATOM 319 CA ASP A 22 -13.304 -9.366 7.764 1.00 2.48 C ATOM 320 C ASP A 22 -14.220 -8.952 6.631 1.00 2.10 C ATOM 321 O ASP A 22 -15.275 -8.345 6.846 1.00 2.55 O ATOM 322 CB ASP A 22 -13.812 -10.653 8.471 1.00 3.04 C ATOM 323 CG ASP A 22 -15.246 -10.590 8.960 1.00 3.67 C ATOM 324 OD1 ASP A 22 -15.488 -10.102 10.085 1.00 4.25 O ATOM 325 OD2 ASP A 22 -16.156 -11.045 8.234 1.00 3.96 O ATOM 0 H ASP A 22 -13.574 -8.348 9.572 1.00 2.17 H new ATOM 0 HA ASP A 22 -12.324 -9.633 7.369 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -13.715 -11.491 7.781 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -13.163 -10.863 9.321 1.00 3.04 H new ATOM 330 N GLY A 23 -13.765 -9.176 5.441 1.00 1.96 N ATOM 331 CA GLY A 23 -14.511 -8.820 4.276 1.00 2.00 C ATOM 332 C GLY A 23 -13.627 -8.083 3.319 1.00 1.94 C ATOM 333 O GLY A 23 -13.682 -8.300 2.100 1.00 2.20 O ATOM 0 H GLY A 23 -12.863 -9.612 5.248 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -14.912 -9.715 3.801 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -15.362 -8.198 4.553 1.00 2.00 H new ATOM 337 N THR A 24 -12.793 -7.228 3.859 1.00 1.83 N ATOM 338 CA THR A 24 -11.841 -6.510 3.067 1.00 1.80 C ATOM 339 C THR A 24 -10.562 -7.350 2.939 1.00 1.84 C ATOM 340 O THR A 24 -9.624 -7.227 3.729 1.00 1.90 O ATOM 341 CB THR A 24 -11.516 -5.105 3.666 1.00 1.83 C ATOM 342 OG1 THR A 24 -12.734 -4.323 3.795 1.00 1.96 O ATOM 343 CG2 THR A 24 -10.538 -4.342 2.766 1.00 1.85 C ATOM 0 H THR A 24 -12.760 -7.015 4.856 1.00 1.83 H new ATOM 0 HA THR A 24 -12.275 -6.338 2.082 1.00 1.80 H new ATOM 0 HB THR A 24 -11.063 -5.256 4.646 1.00 1.83 H new ATOM 0 HG1 THR A 24 -12.520 -3.444 4.173 1.00 1.96 H new ATOM 0 HG21 THR A 24 -10.326 -3.366 3.203 1.00 1.85 H new ATOM 0 HG22 THR A 24 -9.611 -4.908 2.675 1.00 1.85 H new ATOM 0 HG23 THR A 24 -10.980 -4.209 1.779 1.00 1.85 H new ATOM 351 N ASP A 25 -10.620 -8.317 2.062 1.00 1.96 N ATOM 352 CA ASP A 25 -9.459 -9.101 1.713 1.00 2.09 C ATOM 353 C ASP A 25 -9.172 -8.784 0.274 1.00 1.62 C ATOM 354 O ASP A 25 -10.027 -8.198 -0.407 1.00 1.86 O ATOM 355 CB ASP A 25 -9.661 -10.622 1.903 1.00 2.69 C ATOM 356 CG ASP A 25 -10.511 -11.276 0.834 1.00 3.10 C ATOM 357 OD1 ASP A 25 -9.957 -11.695 -0.210 1.00 3.55 O ATOM 358 OD2 ASP A 25 -11.737 -11.386 1.018 1.00 3.40 O ATOM 0 H ASP A 25 -11.471 -8.585 1.568 1.00 1.96 H new ATOM 0 HA ASP A 25 -8.631 -8.845 2.374 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -8.685 -11.107 1.922 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -10.122 -10.797 2.875 1.00 2.69 H new ATOM 363 N LEU A 26 -8.023 -9.146 -0.207 1.00 1.28 N ATOM 364 CA LEU A 26 -7.644 -8.761 -1.534 1.00 0.95 C ATOM 365 C LEU A 26 -7.276 -9.974 -2.377 1.00 1.02 C ATOM 366 O LEU A 26 -6.093 -10.266 -2.573 1.00 1.36 O ATOM 367 CB LEU A 26 -6.480 -7.736 -1.517 1.00 1.16 C ATOM 368 CG LEU A 26 -6.710 -6.352 -0.849 1.00 0.73 C ATOM 369 CD1 LEU A 26 -7.957 -5.667 -1.375 1.00 0.86 C ATOM 370 CD2 LEU A 26 -6.695 -6.411 0.682 1.00 1.05 C ATOM 0 H LEU A 26 -7.333 -9.705 0.295 1.00 1.28 H new ATOM 0 HA LEU A 26 -8.509 -8.280 -1.990 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -5.633 -8.207 -1.018 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -6.182 -7.558 -2.550 1.00 1.16 H new ATOM 0 HG LEU A 26 -5.856 -5.738 -1.135 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -8.079 -4.703 -0.881 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -7.862 -5.514 -2.450 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -8.828 -6.291 -1.173 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -6.861 -5.412 1.086 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -7.484 -7.079 1.028 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -5.729 -6.784 1.022 1.00 1.05 H new ATOM 382 N SER A 27 -8.276 -10.699 -2.825 1.00 1.03 N ATOM 383 CA SER A 27 -8.059 -11.881 -3.634 1.00 1.23 C ATOM 384 C SER A 27 -8.079 -11.543 -5.122 1.00 1.39 C ATOM 385 O SER A 27 -8.970 -10.818 -5.597 1.00 2.16 O ATOM 386 CB SER A 27 -9.103 -12.961 -3.313 1.00 1.77 C ATOM 387 OG SER A 27 -9.012 -13.382 -1.953 1.00 2.39 O ATOM 0 H SER A 27 -9.257 -10.489 -2.641 1.00 1.03 H new ATOM 0 HA SER A 27 -7.071 -12.273 -3.391 1.00 1.23 H new ATOM 0 HB2 SER A 27 -10.103 -12.573 -3.510 1.00 1.77 H new ATOM 0 HB3 SER A 27 -8.958 -13.817 -3.972 1.00 1.77 H new ATOM 0 HG SER A 27 -9.648 -12.872 -1.409 1.00 2.39 H new ATOM 393 N GLY A 28 -7.103 -12.046 -5.842 1.00 1.32 N ATOM 394 CA GLY A 28 -7.017 -11.810 -7.265 1.00 1.62 C ATOM 395 C GLY A 28 -6.382 -10.481 -7.536 1.00 1.42 C ATOM 396 O GLY A 28 -5.470 -10.069 -6.803 1.00 1.77 O ATOM 0 H GLY A 28 -6.353 -12.625 -5.463 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -6.435 -12.601 -7.737 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -8.013 -11.841 -7.706 1.00 1.62 H new ATOM 400 N ASP A 29 -6.849 -9.782 -8.538 1.00 1.39 N ATOM 401 CA ASP A 29 -6.311 -8.478 -8.818 1.00 1.21 C ATOM 402 C ASP A 29 -7.061 -7.445 -8.042 1.00 0.96 C ATOM 403 O ASP A 29 -8.282 -7.284 -8.176 1.00 1.17 O ATOM 404 CB ASP A 29 -6.303 -8.103 -10.310 1.00 1.44 C ATOM 405 CG ASP A 29 -5.772 -6.674 -10.530 1.00 1.84 C ATOM 406 OD1 ASP A 29 -6.561 -5.711 -10.477 1.00 2.30 O ATOM 407 OD2 ASP A 29 -4.562 -6.509 -10.805 1.00 2.28 O ATOM 0 H ASP A 29 -7.591 -10.089 -9.166 1.00 1.39 H new ATOM 0 HA ASP A 29 -5.266 -8.512 -8.511 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -5.684 -8.811 -10.861 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -7.313 -8.183 -10.712 1.00 1.44 H new ATOM 412 N PHE A 30 -6.355 -6.806 -7.195 1.00 0.73 N ATOM 413 CA PHE A 30 -6.864 -5.705 -6.439 1.00 0.56 C ATOM 414 C PHE A 30 -6.048 -4.493 -6.802 1.00 0.46 C ATOM 415 O PHE A 30 -6.159 -3.454 -6.211 1.00 0.43 O ATOM 416 CB PHE A 30 -6.756 -6.002 -4.930 1.00 0.53 C ATOM 417 CG PHE A 30 -5.346 -6.281 -4.422 1.00 0.55 C ATOM 418 CD1 PHE A 30 -4.770 -7.534 -4.575 1.00 0.74 C ATOM 419 CD2 PHE A 30 -4.595 -5.278 -3.818 1.00 0.55 C ATOM 420 CE1 PHE A 30 -3.484 -7.781 -4.134 1.00 0.89 C ATOM 421 CE2 PHE A 30 -3.309 -5.521 -3.379 1.00 0.68 C ATOM 422 CZ PHE A 30 -2.790 -6.807 -3.455 1.00 0.83 C ATOM 0 H PHE A 30 -5.380 -7.030 -6.994 1.00 0.73 H new ATOM 0 HA PHE A 30 -7.916 -5.533 -6.666 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -7.162 -5.154 -4.379 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -7.385 -6.862 -4.699 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -5.334 -8.326 -5.045 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -5.024 -4.295 -3.691 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -3.024 -8.740 -4.323 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -2.710 -4.716 -2.979 1.00 0.68 H new ATOM 0 HZ PHE A 30 -1.847 -7.041 -2.984 1.00 0.83 H new ATOM 432 N LEU A 31 -5.233 -4.660 -7.806 1.00 0.49 N ATOM 433 CA LEU A 31 -4.288 -3.669 -8.196 1.00 0.49 C ATOM 434 C LEU A 31 -4.887 -2.653 -9.149 1.00 0.49 C ATOM 435 O LEU A 31 -4.504 -1.495 -9.120 1.00 0.58 O ATOM 436 CB LEU A 31 -3.035 -4.308 -8.817 1.00 0.59 C ATOM 437 CG LEU A 31 -2.183 -5.257 -7.941 1.00 0.86 C ATOM 438 CD1 LEU A 31 -1.782 -4.609 -6.627 1.00 1.08 C ATOM 439 CD2 LEU A 31 -2.856 -6.610 -7.721 1.00 1.85 C ATOM 0 H LEU A 31 -5.212 -5.503 -8.380 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.996 -3.141 -7.288 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -3.349 -4.864 -9.701 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -2.387 -3.502 -9.161 1.00 0.59 H new ATOM 0 HG LEU A 31 -1.267 -5.451 -8.499 1.00 0.86 H new ATOM 0 HD11 LEU A 31 -1.185 -5.310 -6.043 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -1.196 -3.712 -6.828 1.00 1.08 H new ATOM 0 HD13 LEU A 31 -2.677 -4.339 -6.066 1.00 1.08 H new ATOM 0 HD21 LEU A 31 -2.217 -7.238 -7.100 1.00 1.85 H new ATOM 0 HD22 LEU A 31 -3.814 -6.463 -7.223 1.00 1.85 H new ATOM 0 HD23 LEU A 31 -3.018 -7.096 -8.683 1.00 1.85 H new ATOM 451 N ASP A 32 -5.812 -3.092 -10.000 1.00 0.49 N ATOM 452 CA ASP A 32 -6.396 -2.197 -11.015 1.00 0.67 C ATOM 453 C ASP A 32 -7.552 -1.393 -10.457 1.00 0.57 C ATOM 454 O ASP A 32 -7.917 -0.344 -10.998 1.00 0.74 O ATOM 455 CB ASP A 32 -6.846 -2.986 -12.254 1.00 0.94 C ATOM 456 CG ASP A 32 -7.190 -2.095 -13.434 1.00 1.76 C ATOM 457 OD1 ASP A 32 -6.258 -1.475 -14.002 1.00 2.55 O ATOM 458 OD2 ASP A 32 -8.369 -2.031 -13.846 1.00 2.27 O ATOM 0 H ASP A 32 -6.173 -4.046 -10.014 1.00 0.49 H new ATOM 0 HA ASP A 32 -5.614 -1.498 -11.312 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -6.054 -3.676 -12.546 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -7.716 -3.590 -11.997 1.00 0.94 H new ATOM 463 N LEU A 33 -8.114 -1.868 -9.369 1.00 0.51 N ATOM 464 CA LEU A 33 -9.212 -1.174 -8.737 1.00 0.60 C ATOM 465 C LEU A 33 -8.707 0.036 -7.941 1.00 0.50 C ATOM 466 O LEU A 33 -7.500 0.276 -7.866 1.00 0.60 O ATOM 467 CB LEU A 33 -10.118 -2.147 -7.919 1.00 0.85 C ATOM 468 CG LEU A 33 -9.469 -3.049 -6.840 1.00 0.69 C ATOM 469 CD1 LEU A 33 -9.058 -2.269 -5.601 1.00 1.35 C ATOM 470 CD2 LEU A 33 -10.407 -4.186 -6.468 1.00 1.12 C ATOM 0 H LEU A 33 -7.830 -2.730 -8.904 1.00 0.51 H new ATOM 0 HA LEU A 33 -9.864 -0.771 -9.512 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -10.886 -1.548 -7.429 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -10.627 -2.798 -8.630 1.00 0.85 H new ATOM 0 HG LEU A 33 -8.558 -3.462 -7.272 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -8.609 -2.948 -4.876 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -8.334 -1.502 -5.877 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -9.936 -1.797 -5.160 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -9.937 -4.811 -5.709 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -11.338 -3.776 -6.076 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -10.619 -4.787 -7.352 1.00 1.12 H new ATOM 482 N ARG A 34 -9.599 0.788 -7.360 1.00 0.50 N ATOM 483 CA ARG A 34 -9.210 1.997 -6.683 1.00 0.51 C ATOM 484 C ARG A 34 -9.316 1.767 -5.200 1.00 0.47 C ATOM 485 O ARG A 34 -9.815 0.740 -4.760 1.00 0.58 O ATOM 486 CB ARG A 34 -10.138 3.149 -7.072 1.00 0.67 C ATOM 487 CG ARG A 34 -10.423 3.255 -8.553 1.00 0.85 C ATOM 488 CD ARG A 34 -9.188 3.507 -9.421 1.00 0.93 C ATOM 489 NE ARG A 34 -9.577 3.335 -10.826 1.00 1.72 N ATOM 490 CZ ARG A 34 -8.923 3.734 -11.924 1.00 2.04 C ATOM 491 NH1 ARG A 34 -7.713 4.278 -11.862 1.00 1.66 N ATOM 492 NH2 ARG A 34 -9.498 3.572 -13.106 1.00 3.07 N ATOM 0 H ARG A 34 -10.599 0.588 -7.340 1.00 0.50 H new ATOM 0 HA ARG A 34 -8.189 2.255 -6.964 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -11.083 3.032 -6.541 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -9.695 4.085 -6.733 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -10.903 2.334 -8.885 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -11.137 4.063 -8.716 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -8.803 4.513 -9.253 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -8.390 2.812 -9.159 1.00 0.93 H new ATOM 0 HE ARG A 34 -10.459 2.849 -10.986 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -7.255 4.402 -10.959 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -7.241 4.572 -12.717 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -10.424 3.149 -13.169 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -9.015 3.870 -13.953 1.00 3.07 H new ATOM 506 N PHE A 35 -8.915 2.729 -4.424 1.00 0.42 N ATOM 507 CA PHE A 35 -8.989 2.589 -2.988 1.00 0.42 C ATOM 508 C PHE A 35 -10.401 2.812 -2.505 1.00 0.53 C ATOM 509 O PHE A 35 -10.762 2.437 -1.401 1.00 0.61 O ATOM 510 CB PHE A 35 -8.008 3.518 -2.312 1.00 0.41 C ATOM 511 CG PHE A 35 -6.606 3.210 -2.703 1.00 0.39 C ATOM 512 CD1 PHE A 35 -5.944 2.136 -2.145 1.00 0.43 C ATOM 513 CD2 PHE A 35 -5.953 3.974 -3.649 1.00 0.44 C ATOM 514 CE1 PHE A 35 -4.654 1.837 -2.512 1.00 0.51 C ATOM 515 CE2 PHE A 35 -4.673 3.680 -4.019 1.00 0.51 C ATOM 516 CZ PHE A 35 -4.018 2.611 -3.448 1.00 0.53 C ATOM 0 H PHE A 35 -8.534 3.617 -4.752 1.00 0.42 H new ATOM 0 HA PHE A 35 -8.710 1.570 -2.720 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -8.242 4.550 -2.575 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -8.112 3.434 -1.230 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.446 1.523 -1.411 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -6.461 4.813 -4.101 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -4.144 0.996 -2.065 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -4.173 4.286 -4.760 1.00 0.51 H new ATOM 0 HZ PHE A 35 -3.003 2.383 -3.738 1.00 0.53 H new ATOM 526 N GLU A 36 -11.203 3.368 -3.379 1.00 0.64 N ATOM 527 CA GLU A 36 -12.603 3.621 -3.122 1.00 0.83 C ATOM 528 C GLU A 36 -13.352 2.294 -2.987 1.00 0.92 C ATOM 529 O GLU A 36 -14.297 2.177 -2.212 1.00 1.05 O ATOM 530 CB GLU A 36 -13.173 4.430 -4.272 1.00 1.00 C ATOM 531 CG GLU A 36 -12.426 5.725 -4.519 1.00 1.56 C ATOM 532 CD GLU A 36 -12.933 6.457 -5.724 1.00 2.05 C ATOM 533 OE1 GLU A 36 -13.909 7.229 -5.597 1.00 2.39 O ATOM 534 OE2 GLU A 36 -12.387 6.269 -6.810 1.00 2.77 O ATOM 0 H GLU A 36 -10.898 3.663 -4.306 1.00 0.64 H new ATOM 0 HA GLU A 36 -12.716 4.179 -2.193 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -13.150 3.826 -5.179 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -14.219 4.655 -4.066 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -12.517 6.367 -3.643 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -11.365 5.510 -4.648 1.00 1.56 H new ATOM 541 N ASP A 37 -12.881 1.284 -3.723 1.00 0.92 N ATOM 542 CA ASP A 37 -13.475 -0.062 -3.709 1.00 1.07 C ATOM 543 C ASP A 37 -13.343 -0.675 -2.338 1.00 1.02 C ATOM 544 O ASP A 37 -14.288 -1.250 -1.789 1.00 1.20 O ATOM 545 CB ASP A 37 -12.763 -0.990 -4.712 1.00 1.17 C ATOM 546 CG ASP A 37 -12.927 -0.590 -6.153 1.00 1.39 C ATOM 547 OD1 ASP A 37 -12.212 0.316 -6.628 1.00 1.99 O ATOM 548 OD2 ASP A 37 -13.751 -1.185 -6.853 1.00 1.64 O ATOM 0 H ASP A 37 -12.078 1.373 -4.346 1.00 0.92 H new ATOM 0 HA ASP A 37 -14.525 0.042 -3.983 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -11.700 -1.015 -4.473 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -13.143 -2.004 -4.583 1.00 1.17 H new ATOM 553 N ILE A 38 -12.177 -0.503 -1.770 1.00 0.85 N ATOM 554 CA ILE A 38 -11.834 -1.111 -0.504 1.00 0.88 C ATOM 555 C ILE A 38 -12.021 -0.168 0.676 1.00 0.84 C ATOM 556 O ILE A 38 -11.600 -0.466 1.791 1.00 0.91 O ATOM 557 CB ILE A 38 -10.402 -1.693 -0.532 1.00 0.85 C ATOM 558 CG1 ILE A 38 -9.399 -0.609 -0.979 1.00 0.66 C ATOM 559 CG2 ILE A 38 -10.366 -2.886 -1.470 1.00 0.97 C ATOM 560 CD1 ILE A 38 -7.961 -1.069 -1.055 1.00 0.68 C ATOM 0 H ILE A 38 -11.432 0.066 -2.173 1.00 0.85 H new ATOM 0 HA ILE A 38 -12.535 -1.933 -0.357 1.00 0.88 H new ATOM 0 HB ILE A 38 -10.118 -2.022 0.468 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -9.699 -0.238 -1.959 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -9.461 0.231 -0.287 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -9.358 -3.300 -1.493 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -11.063 -3.647 -1.118 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -10.651 -2.569 -2.473 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -7.330 -0.240 -1.377 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -7.636 -1.411 -0.072 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -7.878 -1.887 -1.770 1.00 0.68 H new ATOM 572 N GLY A 39 -12.723 0.923 0.422 1.00 0.81 N ATOM 573 CA GLY A 39 -13.030 1.912 1.453 1.00 0.82 C ATOM 574 C GLY A 39 -11.795 2.508 2.103 1.00 0.71 C ATOM 575 O GLY A 39 -11.751 2.690 3.323 1.00 0.82 O ATOM 0 H GLY A 39 -13.097 1.152 -0.499 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -13.622 2.714 1.012 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -13.647 1.446 2.221 1.00 0.82 H new ATOM 579 N TYR A 40 -10.806 2.801 1.301 1.00 0.56 N ATOM 580 CA TYR A 40 -9.564 3.355 1.783 1.00 0.48 C ATOM 581 C TYR A 40 -9.388 4.789 1.402 1.00 0.43 C ATOM 582 O TYR A 40 -9.540 5.164 0.239 1.00 0.50 O ATOM 583 CB TYR A 40 -8.370 2.549 1.308 1.00 0.51 C ATOM 584 CG TYR A 40 -7.922 1.526 2.294 1.00 0.52 C ATOM 585 CD1 TYR A 40 -8.454 0.249 2.316 1.00 0.67 C ATOM 586 CD2 TYR A 40 -6.958 1.850 3.220 1.00 0.60 C ATOM 587 CE1 TYR A 40 -8.027 -0.674 3.239 1.00 0.83 C ATOM 588 CE2 TYR A 40 -6.528 0.943 4.140 1.00 0.79 C ATOM 589 CZ TYR A 40 -7.062 -0.314 4.149 1.00 0.88 C ATOM 590 OH TYR A 40 -6.622 -1.214 5.068 1.00 1.13 O ATOM 0 H TYR A 40 -10.837 2.662 0.291 1.00 0.56 H new ATOM 0 HA TYR A 40 -9.617 3.301 2.870 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.624 2.054 0.371 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -7.543 3.227 1.097 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -9.214 -0.025 1.599 1.00 0.67 H new ATOM 0 HD2 TYR A 40 -6.534 2.843 3.217 1.00 0.60 H new ATOM 0 HE1 TYR A 40 -8.444 -1.670 3.250 1.00 0.83 H new ATOM 0 HE2 TYR A 40 -5.769 1.216 4.858 1.00 0.79 H new ATOM 0 HH TYR A 40 -6.612 -2.110 4.670 1.00 1.13 H new ATOM 600 N ASP A 41 -9.085 5.584 2.384 1.00 0.49 N ATOM 601 CA ASP A 41 -8.795 6.988 2.204 1.00 0.54 C ATOM 602 C ASP A 41 -7.312 7.178 2.063 1.00 0.52 C ATOM 603 O ASP A 41 -6.534 6.294 2.422 1.00 0.88 O ATOM 604 CB ASP A 41 -9.284 7.818 3.401 1.00 0.71 C ATOM 605 CG ASP A 41 -10.779 7.866 3.532 1.00 1.05 C ATOM 606 OD1 ASP A 41 -11.416 8.706 2.870 1.00 1.48 O ATOM 607 OD2 ASP A 41 -11.349 7.066 4.298 1.00 1.35 O ATOM 0 H ASP A 41 -9.030 5.275 3.355 1.00 0.49 H new ATOM 0 HA ASP A 41 -9.314 7.326 1.307 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -8.861 7.404 4.316 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -8.904 8.835 3.306 1.00 0.71 H new ATOM 612 N SER A 42 -6.920 8.341 1.604 1.00 0.39 N ATOM 613 CA SER A 42 -5.526 8.702 1.425 1.00 0.48 C ATOM 614 C SER A 42 -4.806 8.672 2.776 1.00 0.42 C ATOM 615 O SER A 42 -3.680 8.191 2.898 1.00 0.43 O ATOM 616 CB SER A 42 -5.496 10.088 0.830 1.00 0.71 C ATOM 617 OG SER A 42 -6.455 10.899 1.572 1.00 0.98 O ATOM 0 H SER A 42 -7.570 9.081 1.338 1.00 0.39 H new ATOM 0 HA SER A 42 -5.018 7.999 0.765 1.00 0.48 H new ATOM 0 HB2 SER A 42 -4.496 10.515 0.901 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.756 10.058 -0.228 1.00 0.71 H new ATOM 0 HG SER A 42 -6.461 11.810 1.212 1.00 0.98 H new ATOM 622 N LEU A 43 -5.503 9.168 3.783 1.00 0.46 N ATOM 623 CA LEU A 43 -5.026 9.174 5.153 1.00 0.52 C ATOM 624 C LEU A 43 -4.821 7.753 5.682 1.00 0.45 C ATOM 625 O LEU A 43 -3.908 7.501 6.467 1.00 0.53 O ATOM 626 CB LEU A 43 -6.011 9.928 6.048 1.00 0.66 C ATOM 627 CG LEU A 43 -6.164 11.427 5.774 1.00 0.83 C ATOM 628 CD1 LEU A 43 -7.236 12.019 6.669 1.00 1.02 C ATOM 629 CD2 LEU A 43 -4.843 12.148 5.993 1.00 0.97 C ATOM 0 H LEU A 43 -6.428 9.583 3.670 1.00 0.46 H new ATOM 0 HA LEU A 43 -4.061 9.680 5.169 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -6.991 9.460 5.949 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -5.699 9.799 7.085 1.00 0.66 H new ATOM 0 HG LEU A 43 -6.462 11.557 4.734 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -7.334 13.085 6.463 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -8.187 11.523 6.475 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -6.959 11.875 7.713 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -4.972 13.212 5.793 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -4.519 12.009 7.024 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -4.090 11.741 5.318 1.00 0.97 H new ATOM 641 N ALA A 44 -5.644 6.826 5.223 1.00 0.40 N ATOM 642 CA ALA A 44 -5.558 5.441 5.664 1.00 0.39 C ATOM 643 C ALA A 44 -4.412 4.736 4.966 1.00 0.34 C ATOM 644 O ALA A 44 -3.741 3.889 5.547 1.00 0.38 O ATOM 645 CB ALA A 44 -6.862 4.717 5.411 1.00 0.43 C ATOM 0 H ALA A 44 -6.382 7.006 4.543 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.368 5.432 6.737 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -6.776 3.684 5.748 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.665 5.211 5.958 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.086 4.733 4.344 1.00 0.43 H new ATOM 651 N LEU A 45 -4.160 5.139 3.730 1.00 0.31 N ATOM 652 CA LEU A 45 -3.075 4.592 2.912 1.00 0.30 C ATOM 653 C LEU A 45 -1.728 4.874 3.534 1.00 0.29 C ATOM 654 O LEU A 45 -0.766 4.123 3.350 1.00 0.30 O ATOM 655 CB LEU A 45 -3.133 5.182 1.512 1.00 0.32 C ATOM 656 CG LEU A 45 -4.390 4.854 0.739 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.386 5.534 -0.612 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.510 3.362 0.591 1.00 0.36 C ATOM 0 H LEU A 45 -4.704 5.861 3.258 1.00 0.31 H new ATOM 0 HA LEU A 45 -3.204 3.511 2.856 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.040 6.266 1.585 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.272 4.826 0.947 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.254 5.227 1.289 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.301 5.282 -1.149 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.331 6.614 -0.476 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.524 5.196 -1.187 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -5.416 3.123 0.034 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.642 2.979 0.054 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.559 2.901 1.578 1.00 0.36 H new ATOM 670 N MET A 46 -1.675 5.942 4.296 1.00 0.30 N ATOM 671 CA MET A 46 -0.471 6.342 4.989 1.00 0.31 C ATOM 672 C MET A 46 -0.158 5.329 6.078 1.00 0.33 C ATOM 673 O MET A 46 0.993 5.055 6.369 1.00 0.37 O ATOM 674 CB MET A 46 -0.641 7.750 5.566 1.00 0.37 C ATOM 675 CG MET A 46 -0.977 8.771 4.496 1.00 0.40 C ATOM 676 SD MET A 46 -1.346 10.417 5.135 1.00 0.54 S ATOM 677 CE MET A 46 -1.822 11.232 3.607 1.00 1.67 C ATOM 0 H MET A 46 -2.470 6.561 4.454 1.00 0.30 H new ATOM 0 HA MET A 46 0.367 6.369 4.292 1.00 0.31 H new ATOM 0 HB2 MET A 46 -1.431 7.740 6.317 1.00 0.37 H new ATOM 0 HB3 MET A 46 0.277 8.046 6.073 1.00 0.37 H new ATOM 0 HG2 MET A 46 -0.140 8.842 3.802 1.00 0.40 H new ATOM 0 HG3 MET A 46 -1.835 8.414 3.926 1.00 0.40 H new ATOM 0 HE1 MET A 46 -2.187 12.235 3.828 1.00 1.67 H new ATOM 0 HE2 MET A 46 -0.958 11.297 2.945 1.00 1.67 H new ATOM 0 HE3 MET A 46 -2.610 10.659 3.119 1.00 1.67 H new ATOM 687 N GLU A 47 -1.198 4.717 6.627 1.00 0.36 N ATOM 688 CA GLU A 47 -1.018 3.715 7.639 1.00 0.42 C ATOM 689 C GLU A 47 -0.681 2.384 6.982 1.00 0.43 C ATOM 690 O GLU A 47 0.081 1.594 7.533 1.00 0.52 O ATOM 691 CB GLU A 47 -2.245 3.600 8.531 1.00 0.45 C ATOM 692 CG GLU A 47 -2.063 2.626 9.680 1.00 0.62 C ATOM 693 CD GLU A 47 -3.224 2.624 10.611 1.00 1.07 C ATOM 694 OE1 GLU A 47 -3.251 3.431 11.557 1.00 1.29 O ATOM 695 OE2 GLU A 47 -4.145 1.806 10.422 1.00 1.97 O ATOM 0 H GLU A 47 -2.170 4.905 6.381 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.188 4.009 8.282 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -2.487 4.584 8.933 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.096 3.284 7.927 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -1.918 1.622 9.282 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -1.159 2.884 10.232 1.00 0.62 H new ATOM 702 N THR A 48 -1.246 2.147 5.796 1.00 0.39 N ATOM 703 CA THR A 48 -0.928 0.974 4.991 1.00 0.44 C ATOM 704 C THR A 48 0.586 0.960 4.732 1.00 0.45 C ATOM 705 O THR A 48 1.271 -0.044 4.982 1.00 0.56 O ATOM 706 CB THR A 48 -1.672 1.063 3.644 1.00 0.44 C ATOM 707 OG1 THR A 48 -3.067 1.284 3.891 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.492 -0.222 2.838 1.00 0.53 C ATOM 0 H THR A 48 -1.936 2.765 5.370 1.00 0.39 H new ATOM 0 HA THR A 48 -1.231 0.066 5.513 1.00 0.44 H new ATOM 0 HB THR A 48 -1.258 1.891 3.068 1.00 0.44 H new ATOM 0 HG1 THR A 48 -3.407 0.590 4.494 1.00 0.49 H new ATOM 0 HG21 THR A 48 -2.026 -0.136 1.892 1.00 0.53 H new ATOM 0 HG22 THR A 48 -0.432 -0.384 2.643 1.00 0.53 H new ATOM 0 HG23 THR A 48 -1.890 -1.065 3.403 1.00 0.53 H new ATOM 716 N ALA A 49 1.090 2.091 4.253 1.00 0.37 N ATOM 717 CA ALA A 49 2.506 2.274 4.006 1.00 0.38 C ATOM 718 C ALA A 49 3.304 2.080 5.298 1.00 0.43 C ATOM 719 O ALA A 49 4.312 1.375 5.313 1.00 0.45 O ATOM 720 CB ALA A 49 2.752 3.656 3.427 1.00 0.36 C ATOM 0 H ALA A 49 0.522 2.907 4.026 1.00 0.37 H new ATOM 0 HA ALA A 49 2.840 1.527 3.286 1.00 0.38 H new ATOM 0 HB1 ALA A 49 3.818 3.789 3.243 1.00 0.36 H new ATOM 0 HB2 ALA A 49 2.206 3.760 2.489 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.409 4.413 4.133 1.00 0.36 H new ATOM 726 N ALA A 50 2.808 2.661 6.382 1.00 0.47 N ATOM 727 CA ALA A 50 3.436 2.566 7.696 1.00 0.57 C ATOM 728 C ALA A 50 3.513 1.118 8.207 1.00 0.62 C ATOM 729 O ALA A 50 4.430 0.764 8.962 1.00 0.68 O ATOM 730 CB ALA A 50 2.708 3.444 8.687 1.00 0.65 C ATOM 0 H ALA A 50 1.952 3.216 6.376 1.00 0.47 H new ATOM 0 HA ALA A 50 4.462 2.918 7.591 1.00 0.57 H new ATOM 0 HB1 ALA A 50 3.186 3.364 9.663 1.00 0.65 H new ATOM 0 HB2 ALA A 50 2.743 4.480 8.349 1.00 0.65 H new ATOM 0 HB3 ALA A 50 1.670 3.122 8.764 1.00 0.65 H new ATOM 736 N ARG A 51 2.550 0.280 7.809 1.00 0.65 N ATOM 737 CA ARG A 51 2.578 -1.144 8.169 1.00 0.76 C ATOM 738 C ARG A 51 3.827 -1.753 7.541 1.00 0.64 C ATOM 739 O ARG A 51 4.649 -2.385 8.208 1.00 0.62 O ATOM 740 CB ARG A 51 1.354 -1.908 7.612 1.00 0.95 C ATOM 741 CG ARG A 51 -0.045 -1.426 8.021 1.00 1.23 C ATOM 742 CD ARG A 51 -0.329 -1.540 9.516 1.00 0.90 C ATOM 743 NE ARG A 51 0.278 -0.474 10.321 1.00 1.76 N ATOM 744 CZ ARG A 51 0.362 -0.501 11.663 1.00 2.17 C ATOM 745 NH1 ARG A 51 -0.060 -1.575 12.340 1.00 2.08 N ATOM 746 NH2 ARG A 51 0.829 0.552 12.323 1.00 3.21 N ATOM 0 H ARG A 51 1.748 0.558 7.243 1.00 0.65 H new ATOM 0 HA ARG A 51 2.569 -1.225 9.256 1.00 0.76 H new ATOM 0 HB2 ARG A 51 1.411 -1.882 6.524 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.448 -2.952 7.911 1.00 0.95 H new ATOM 0 HG2 ARG A 51 -0.163 -0.386 7.718 1.00 1.23 H new ATOM 0 HG3 ARG A 51 -0.791 -2.003 7.475 1.00 1.23 H new ATOM 0 HD2 ARG A 51 -1.408 -1.530 9.672 1.00 0.90 H new ATOM 0 HD3 ARG A 51 0.036 -2.503 9.872 1.00 0.90 H new ATOM 0 HE ARG A 51 0.659 0.337 9.833 1.00 1.76 H new ATOM 0 HH11 ARG A 51 -0.446 -2.375 11.838 1.00 2.08 H new ATOM 0 HH12 ARG A 51 0.004 -1.594 13.358 1.00 2.08 H new ATOM 0 HH21 ARG A 51 1.125 1.384 11.812 1.00 3.21 H new ATOM 0 HH22 ARG A 51 0.892 0.529 13.341 1.00 3.21 H new ATOM 760 N LEU A 52 3.974 -1.494 6.257 1.00 0.60 N ATOM 761 CA LEU A 52 5.084 -1.988 5.468 1.00 0.55 C ATOM 762 C LEU A 52 6.429 -1.383 5.886 1.00 0.46 C ATOM 763 O LEU A 52 7.468 -2.038 5.751 1.00 0.45 O ATOM 764 CB LEU A 52 4.790 -1.804 3.979 1.00 0.61 C ATOM 765 CG LEU A 52 3.639 -2.677 3.459 1.00 0.76 C ATOM 766 CD1 LEU A 52 3.211 -2.270 2.070 1.00 0.87 C ATOM 767 CD2 LEU A 52 4.050 -4.142 3.465 1.00 0.93 C ATOM 0 H LEU A 52 3.315 -0.926 5.725 1.00 0.60 H new ATOM 0 HA LEU A 52 5.185 -3.056 5.663 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.551 -0.757 3.793 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.691 -2.032 3.410 1.00 0.61 H new ATOM 0 HG LEU A 52 2.789 -2.533 4.126 1.00 0.76 H new ATOM 0 HD11 LEU A 52 2.395 -2.912 1.738 1.00 0.87 H new ATOM 0 HD12 LEU A 52 2.876 -1.233 2.082 1.00 0.87 H new ATOM 0 HD13 LEU A 52 4.053 -2.371 1.386 1.00 0.87 H new ATOM 0 HD21 LEU A 52 3.227 -4.752 3.094 1.00 0.93 H new ATOM 0 HD22 LEU A 52 4.920 -4.278 2.823 1.00 0.93 H new ATOM 0 HD23 LEU A 52 4.298 -4.446 4.482 1.00 0.93 H new ATOM 779 N GLU A 53 6.417 -0.152 6.411 1.00 0.45 N ATOM 780 CA GLU A 53 7.641 0.456 6.949 1.00 0.44 C ATOM 781 C GLU A 53 8.191 -0.409 8.061 1.00 0.46 C ATOM 782 O GLU A 53 9.360 -0.776 8.054 1.00 0.50 O ATOM 783 CB GLU A 53 7.410 1.860 7.492 1.00 0.52 C ATOM 784 CG GLU A 53 6.999 2.888 6.470 1.00 0.44 C ATOM 785 CD GLU A 53 6.984 4.267 7.065 1.00 0.45 C ATOM 786 OE1 GLU A 53 5.968 4.648 7.661 1.00 0.57 O ATOM 787 OE2 GLU A 53 7.970 5.005 6.919 1.00 0.45 O ATOM 0 H GLU A 53 5.586 0.436 6.475 1.00 0.45 H new ATOM 0 HA GLU A 53 8.348 0.529 6.123 1.00 0.44 H new ATOM 0 HB2 GLU A 53 6.641 1.811 8.263 1.00 0.52 H new ATOM 0 HB3 GLU A 53 8.326 2.199 7.976 1.00 0.52 H new ATOM 0 HG2 GLU A 53 7.687 2.861 5.625 1.00 0.44 H new ATOM 0 HG3 GLU A 53 6.009 2.645 6.083 1.00 0.44 H new ATOM 794 N SER A 54 7.315 -0.758 8.975 1.00 0.49 N ATOM 795 CA SER A 54 7.620 -1.611 10.102 1.00 0.56 C ATOM 796 C SER A 54 8.052 -3.008 9.617 1.00 0.55 C ATOM 797 O SER A 54 9.006 -3.599 10.129 1.00 0.67 O ATOM 798 CB SER A 54 6.354 -1.693 10.981 1.00 0.67 C ATOM 799 OG SER A 54 6.441 -2.661 12.020 1.00 1.36 O ATOM 0 H SER A 54 6.343 -0.448 8.955 1.00 0.49 H new ATOM 0 HA SER A 54 8.448 -1.203 10.681 1.00 0.56 H new ATOM 0 HB2 SER A 54 6.165 -0.715 11.423 1.00 0.67 H new ATOM 0 HB3 SER A 54 5.498 -1.928 10.349 1.00 0.67 H new ATOM 0 HG SER A 54 5.609 -2.660 12.538 1.00 1.36 H new ATOM 805 N ARG A 55 7.387 -3.480 8.594 1.00 0.52 N ATOM 806 CA ARG A 55 7.590 -4.815 8.069 1.00 0.57 C ATOM 807 C ARG A 55 8.952 -4.990 7.349 1.00 0.54 C ATOM 808 O ARG A 55 9.565 -6.060 7.424 1.00 0.65 O ATOM 809 CB ARG A 55 6.436 -5.142 7.126 1.00 0.67 C ATOM 810 CG ARG A 55 6.375 -6.573 6.656 1.00 0.77 C ATOM 811 CD ARG A 55 5.160 -6.782 5.783 1.00 0.96 C ATOM 812 NE ARG A 55 4.943 -8.183 5.469 1.00 1.60 N ATOM 813 CZ ARG A 55 3.908 -8.891 5.919 1.00 2.10 C ATOM 814 NH1 ARG A 55 3.001 -8.315 6.719 1.00 1.89 N ATOM 815 NH2 ARG A 55 3.773 -10.165 5.567 1.00 3.10 N ATOM 0 H ARG A 55 6.679 -2.944 8.092 1.00 0.52 H new ATOM 0 HA ARG A 55 7.611 -5.509 8.910 1.00 0.57 H new ATOM 0 HB2 ARG A 55 5.499 -4.901 7.628 1.00 0.67 H new ATOM 0 HB3 ARG A 55 6.506 -4.493 6.253 1.00 0.67 H new ATOM 0 HG2 ARG A 55 7.279 -6.820 6.099 1.00 0.77 H new ATOM 0 HG3 ARG A 55 6.336 -7.244 7.514 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.280 -6.384 6.288 1.00 0.96 H new ATOM 0 HD3 ARG A 55 5.279 -6.218 4.858 1.00 0.96 H new ATOM 0 HE ARG A 55 5.622 -8.652 4.869 1.00 1.60 H new ATOM 0 HH11 ARG A 55 3.103 -7.335 6.983 1.00 1.89 H new ATOM 0 HH12 ARG A 55 2.208 -8.856 7.064 1.00 1.89 H new ATOM 0 HH21 ARG A 55 4.461 -10.600 4.953 1.00 3.10 H new ATOM 0 HH22 ARG A 55 2.981 -10.708 5.911 1.00 3.10 H new ATOM 829 N TYR A 56 9.419 -3.967 6.653 1.00 0.50 N ATOM 830 CA TYR A 56 10.658 -4.111 5.869 1.00 0.57 C ATOM 831 C TYR A 56 11.795 -3.215 6.311 1.00 0.59 C ATOM 832 O TYR A 56 12.937 -3.401 5.871 1.00 0.73 O ATOM 833 CB TYR A 56 10.389 -3.897 4.388 1.00 0.65 C ATOM 834 CG TYR A 56 9.478 -4.924 3.799 1.00 0.72 C ATOM 835 CD1 TYR A 56 9.945 -6.195 3.516 1.00 0.89 C ATOM 836 CD2 TYR A 56 8.150 -4.640 3.551 1.00 0.76 C ATOM 837 CE1 TYR A 56 9.116 -7.150 2.997 1.00 1.03 C ATOM 838 CE2 TYR A 56 7.314 -5.595 3.038 1.00 0.91 C ATOM 839 CZ TYR A 56 7.801 -6.844 2.761 1.00 1.03 C ATOM 840 OH TYR A 56 6.966 -7.799 2.270 1.00 1.21 O ATOM 0 H TYR A 56 8.981 -3.047 6.607 1.00 0.50 H new ATOM 0 HA TYR A 56 10.986 -5.134 6.054 1.00 0.57 H new ATOM 0 HB2 TYR A 56 9.952 -2.909 4.244 1.00 0.65 H new ATOM 0 HB3 TYR A 56 11.336 -3.909 3.848 1.00 0.65 H new ATOM 0 HD1 TYR A 56 10.980 -6.436 3.708 1.00 0.89 H new ATOM 0 HD2 TYR A 56 7.766 -3.653 3.764 1.00 0.76 H new ATOM 0 HE1 TYR A 56 9.494 -8.137 2.775 1.00 1.03 H new ATOM 0 HE2 TYR A 56 6.275 -5.364 2.853 1.00 0.91 H new ATOM 0 HH TYR A 56 6.326 -8.062 2.964 1.00 1.21 H new ATOM 850 N GLY A 57 11.508 -2.252 7.144 1.00 0.52 N ATOM 851 CA GLY A 57 12.530 -1.323 7.542 1.00 0.56 C ATOM 852 C GLY A 57 12.710 -0.268 6.484 1.00 0.54 C ATOM 853 O GLY A 57 13.822 -0.001 6.033 1.00 0.68 O ATOM 0 H GLY A 57 10.589 -2.091 7.555 1.00 0.52 H new ATOM 0 HA2 GLY A 57 12.260 -0.857 8.489 1.00 0.56 H new ATOM 0 HA3 GLY A 57 13.470 -1.851 7.704 1.00 0.56 H new ATOM 857 N VAL A 58 11.603 0.290 6.050 1.00 0.47 N ATOM 858 CA VAL A 58 11.610 1.312 5.028 1.00 0.44 C ATOM 859 C VAL A 58 11.091 2.624 5.555 1.00 0.42 C ATOM 860 O VAL A 58 10.684 2.717 6.721 1.00 0.44 O ATOM 861 CB VAL A 58 10.882 0.919 3.709 1.00 0.46 C ATOM 862 CG1 VAL A 58 11.600 -0.214 3.031 1.00 0.55 C ATOM 863 CG2 VAL A 58 9.428 0.546 3.952 1.00 0.43 C ATOM 0 H VAL A 58 10.674 0.049 6.395 1.00 0.47 H new ATOM 0 HA VAL A 58 12.660 1.426 4.758 1.00 0.44 H new ATOM 0 HB VAL A 58 10.895 1.793 3.058 1.00 0.46 H new ATOM 0 HG11 VAL A 58 11.078 -0.477 2.111 1.00 0.55 H new ATOM 0 HG12 VAL A 58 12.620 0.090 2.796 1.00 0.55 H new ATOM 0 HG13 VAL A 58 11.623 -1.079 3.694 1.00 0.55 H new ATOM 0 HG21 VAL A 58 8.958 0.279 3.006 1.00 0.43 H new ATOM 0 HG22 VAL A 58 9.379 -0.303 4.634 1.00 0.43 H new ATOM 0 HG23 VAL A 58 8.903 1.395 4.391 1.00 0.43 H new ATOM 873 N SER A 59 11.126 3.625 4.732 1.00 0.43 N ATOM 874 CA SER A 59 10.683 4.929 5.094 1.00 0.48 C ATOM 875 C SER A 59 9.795 5.476 3.988 1.00 0.43 C ATOM 876 O SER A 59 10.255 5.750 2.875 1.00 0.49 O ATOM 877 CB SER A 59 11.904 5.810 5.340 1.00 0.65 C ATOM 878 OG SER A 59 12.752 5.194 6.318 1.00 1.28 O ATOM 0 H SER A 59 11.470 3.555 3.774 1.00 0.43 H new ATOM 0 HA SER A 59 10.094 4.905 6.011 1.00 0.48 H new ATOM 0 HB2 SER A 59 12.452 5.957 4.409 1.00 0.65 H new ATOM 0 HB3 SER A 59 11.591 6.795 5.685 1.00 0.65 H new ATOM 0 HG SER A 59 13.537 5.760 6.474 1.00 1.28 H new ATOM 884 N ILE A 60 8.526 5.562 4.272 1.00 0.39 N ATOM 885 CA ILE A 60 7.556 6.012 3.303 1.00 0.38 C ATOM 886 C ILE A 60 6.839 7.244 3.835 1.00 0.41 C ATOM 887 O ILE A 60 6.122 7.163 4.833 1.00 0.45 O ATOM 888 CB ILE A 60 6.514 4.904 3.003 1.00 0.37 C ATOM 889 CG1 ILE A 60 7.226 3.601 2.610 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.579 5.358 1.874 1.00 0.38 C ATOM 891 CD1 ILE A 60 6.312 2.411 2.487 1.00 0.82 C ATOM 0 H ILE A 60 8.131 5.323 5.181 1.00 0.39 H new ATOM 0 HA ILE A 60 8.082 6.254 2.379 1.00 0.38 H new ATOM 0 HB ILE A 60 5.922 4.722 3.900 1.00 0.37 H new ATOM 0 HG12 ILE A 60 7.737 3.752 1.659 1.00 0.45 H new ATOM 0 HG13 ILE A 60 7.993 3.381 3.353 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.850 4.575 1.669 1.00 0.38 H new ATOM 0 HG22 ILE A 60 5.059 6.268 2.175 1.00 0.38 H new ATOM 0 HG23 ILE A 60 6.163 5.555 0.975 1.00 0.38 H new ATOM 0 HD11 ILE A 60 6.894 1.533 2.207 1.00 0.82 H new ATOM 0 HD12 ILE A 60 5.819 2.230 3.442 1.00 0.82 H new ATOM 0 HD13 ILE A 60 5.560 2.607 1.723 1.00 0.82 H new ATOM 903 N PRO A 61 7.044 8.403 3.199 1.00 0.48 N ATOM 904 CA PRO A 61 6.409 9.649 3.610 1.00 0.55 C ATOM 905 C PRO A 61 4.885 9.604 3.433 1.00 0.49 C ATOM 906 O PRO A 61 4.375 9.175 2.385 1.00 0.43 O ATOM 907 CB PRO A 61 7.036 10.702 2.689 1.00 0.66 C ATOM 908 CG PRO A 61 8.253 10.048 2.134 1.00 0.70 C ATOM 909 CD PRO A 61 7.921 8.594 2.040 1.00 0.58 C ATOM 0 HA PRO A 61 6.566 9.858 4.668 1.00 0.55 H new ATOM 0 HB2 PRO A 61 6.348 10.994 1.896 1.00 0.66 H new ATOM 0 HB3 PRO A 61 7.290 11.608 3.240 1.00 0.66 H new ATOM 0 HG2 PRO A 61 8.506 10.456 1.155 1.00 0.70 H new ATOM 0 HG3 PRO A 61 9.115 10.212 2.780 1.00 0.70 H new ATOM 0 HD2 PRO A 61 7.418 8.351 1.104 1.00 0.58 H new ATOM 0 HD3 PRO A 61 8.812 7.968 2.095 1.00 0.58 H new ATOM 917 N ASP A 62 4.187 10.072 4.456 1.00 0.57 N ATOM 918 CA ASP A 62 2.715 10.067 4.549 1.00 0.56 C ATOM 919 C ASP A 62 2.045 10.661 3.332 1.00 0.48 C ATOM 920 O ASP A 62 1.236 10.010 2.683 1.00 0.46 O ATOM 921 CB ASP A 62 2.242 10.857 5.776 1.00 0.71 C ATOM 922 CG ASP A 62 2.635 10.246 7.090 1.00 1.23 C ATOM 923 OD1 ASP A 62 3.745 10.526 7.579 1.00 1.52 O ATOM 924 OD2 ASP A 62 1.825 9.486 7.670 1.00 1.98 O ATOM 0 H ASP A 62 4.633 10.481 5.277 1.00 0.57 H new ATOM 0 HA ASP A 62 2.431 9.017 4.628 1.00 0.56 H new ATOM 0 HB2 ASP A 62 2.647 11.867 5.722 1.00 0.71 H new ATOM 0 HB3 ASP A 62 1.156 10.947 5.740 1.00 0.71 H new ATOM 929 N ASP A 63 2.417 11.882 3.003 1.00 0.52 N ATOM 930 CA ASP A 63 1.775 12.656 1.911 1.00 0.56 C ATOM 931 C ASP A 63 1.848 11.961 0.565 1.00 0.50 C ATOM 932 O ASP A 63 0.978 12.138 -0.282 1.00 0.60 O ATOM 933 CB ASP A 63 2.373 14.060 1.791 1.00 0.71 C ATOM 934 CG ASP A 63 1.925 15.034 2.865 1.00 1.56 C ATOM 935 OD1 ASP A 63 1.513 14.573 3.950 1.00 2.31 O ATOM 936 OD2 ASP A 63 1.934 16.271 2.646 1.00 2.20 O ATOM 0 H ASP A 63 3.171 12.383 3.473 1.00 0.52 H new ATOM 0 HA ASP A 63 0.724 12.731 2.189 1.00 0.56 H new ATOM 0 HB2 ASP A 63 3.460 13.981 1.822 1.00 0.71 H new ATOM 0 HB3 ASP A 63 2.111 14.470 0.816 1.00 0.71 H new ATOM 941 N VAL A 64 2.851 11.121 0.395 1.00 0.46 N ATOM 942 CA VAL A 64 3.071 10.419 -0.861 1.00 0.48 C ATOM 943 C VAL A 64 1.976 9.356 -1.087 1.00 0.42 C ATOM 944 O VAL A 64 1.629 9.019 -2.225 1.00 0.46 O ATOM 945 CB VAL A 64 4.478 9.764 -0.890 1.00 0.54 C ATOM 946 CG1 VAL A 64 4.758 9.089 -2.225 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.553 10.801 -0.604 1.00 0.63 C ATOM 0 H VAL A 64 3.536 10.904 1.119 1.00 0.46 H new ATOM 0 HA VAL A 64 3.018 11.148 -1.670 1.00 0.48 H new ATOM 0 HB VAL A 64 4.496 8.999 -0.114 1.00 0.54 H new ATOM 0 HG11 VAL A 64 5.752 8.643 -2.206 1.00 0.64 H new ATOM 0 HG12 VAL A 64 4.015 8.312 -2.403 1.00 0.64 H new ATOM 0 HG13 VAL A 64 4.708 9.829 -3.024 1.00 0.64 H new ATOM 0 HG21 VAL A 64 6.533 10.325 -0.628 1.00 0.63 H new ATOM 0 HG22 VAL A 64 5.512 11.586 -1.360 1.00 0.63 H new ATOM 0 HG23 VAL A 64 5.385 11.237 0.381 1.00 0.63 H new ATOM 957 N ALA A 65 1.356 8.921 -0.001 1.00 0.45 N ATOM 958 CA ALA A 65 0.303 7.919 -0.071 1.00 0.46 C ATOM 959 C ALA A 65 -1.013 8.550 -0.527 1.00 0.44 C ATOM 960 O ALA A 65 -1.988 7.865 -0.800 1.00 0.51 O ATOM 961 CB ALA A 65 0.139 7.220 1.267 1.00 0.56 C ATOM 0 H ALA A 65 1.565 9.247 0.943 1.00 0.45 H new ATOM 0 HA ALA A 65 0.590 7.170 -0.809 1.00 0.46 H new ATOM 0 HB1 ALA A 65 -0.653 6.475 1.194 1.00 0.56 H new ATOM 0 HB2 ALA A 65 1.074 6.730 1.539 1.00 0.56 H new ATOM 0 HB3 ALA A 65 -0.122 7.953 2.031 1.00 0.56 H new ATOM 967 N GLY A 66 -1.017 9.860 -0.638 1.00 0.48 N ATOM 968 CA GLY A 66 -2.181 10.560 -1.109 1.00 0.57 C ATOM 969 C GLY A 66 -2.069 10.843 -2.587 1.00 0.58 C ATOM 970 O GLY A 66 -2.856 11.602 -3.150 1.00 0.91 O ATOM 0 H GLY A 66 -0.224 10.458 -0.407 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -3.073 9.965 -0.914 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -2.295 11.496 -0.562 1.00 0.57 H new ATOM 974 N ARG A 67 -1.077 10.237 -3.221 1.00 0.43 N ATOM 975 CA ARG A 67 -0.845 10.447 -4.632 1.00 0.48 C ATOM 976 C ARG A 67 -0.955 9.115 -5.397 1.00 0.45 C ATOM 977 O ARG A 67 -0.773 9.058 -6.612 1.00 0.63 O ATOM 978 CB ARG A 67 0.546 11.065 -4.824 1.00 0.59 C ATOM 979 CG ARG A 67 0.776 11.658 -6.194 1.00 1.35 C ATOM 980 CD ARG A 67 2.170 12.207 -6.336 1.00 1.46 C ATOM 981 NE ARG A 67 2.297 12.989 -7.557 1.00 2.35 N ATOM 982 CZ ARG A 67 3.306 12.929 -8.417 1.00 2.83 C ATOM 983 NH1 ARG A 67 4.267 12.036 -8.266 1.00 2.42 N ATOM 984 NH2 ARG A 67 3.332 13.746 -9.449 1.00 3.92 N ATOM 0 H ARG A 67 -0.421 9.595 -2.775 1.00 0.43 H new ATOM 0 HA ARG A 67 -1.600 11.126 -5.028 1.00 0.48 H new ATOM 0 HB2 ARG A 67 0.692 11.843 -4.074 1.00 0.59 H new ATOM 0 HB3 ARG A 67 1.300 10.299 -4.640 1.00 0.59 H new ATOM 0 HG2 ARG A 67 0.606 10.895 -6.954 1.00 1.35 H new ATOM 0 HG3 ARG A 67 0.052 12.453 -6.373 1.00 1.35 H new ATOM 0 HD2 ARG A 67 2.410 12.829 -5.474 1.00 1.46 H new ATOM 0 HD3 ARG A 67 2.889 11.388 -6.347 1.00 1.46 H new ATOM 0 HE ARG A 67 1.543 13.642 -7.771 1.00 2.35 H new ATOM 0 HH11 ARG A 67 4.238 11.384 -7.482 1.00 2.42 H new ATOM 0 HH12 ARG A 67 5.038 11.999 -8.933 1.00 2.42 H new ATOM 0 HH21 ARG A 67 2.579 14.421 -9.584 1.00 3.92 H new ATOM 0 HH22 ARG A 67 4.105 13.704 -10.113 1.00 3.92 H new ATOM 998 N VAL A 68 -1.267 8.046 -4.687 1.00 0.39 N ATOM 999 CA VAL A 68 -1.359 6.740 -5.320 1.00 0.38 C ATOM 1000 C VAL A 68 -2.776 6.479 -5.823 1.00 0.43 C ATOM 1001 O VAL A 68 -3.746 6.480 -5.049 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.845 5.587 -4.398 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.650 5.736 -4.170 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.568 5.555 -3.059 1.00 0.36 C ATOM 0 H VAL A 68 -1.459 8.053 -3.685 1.00 0.39 H new ATOM 0 HA VAL A 68 -0.693 6.753 -6.183 1.00 0.38 H new ATOM 0 HB VAL A 68 -1.053 4.646 -4.906 1.00 0.34 H new ATOM 0 HG11 VAL A 68 1.002 4.930 -3.527 1.00 0.37 H new ATOM 0 HG12 VAL A 68 1.170 5.690 -5.127 1.00 0.37 H new ATOM 0 HG13 VAL A 68 0.851 6.695 -3.693 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -1.177 4.738 -2.454 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.411 6.500 -2.538 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.635 5.405 -3.225 1.00 0.36 H new ATOM 1014 N ASP A 69 -2.893 6.372 -7.130 1.00 0.51 N ATOM 1015 CA ASP A 69 -4.174 6.140 -7.805 1.00 0.65 C ATOM 1016 C ASP A 69 -4.711 4.744 -7.498 1.00 0.52 C ATOM 1017 O ASP A 69 -5.855 4.588 -7.039 1.00 0.58 O ATOM 1018 CB ASP A 69 -3.978 6.292 -9.310 1.00 0.86 C ATOM 1019 CG ASP A 69 -5.250 6.259 -10.105 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -5.897 7.298 -10.255 1.00 1.44 O ATOM 1021 OD2 ASP A 69 -5.659 5.156 -10.534 1.00 2.20 O ATOM 0 H ASP A 69 -2.101 6.443 -7.768 1.00 0.51 H new ATOM 0 HA ASP A 69 -4.898 6.870 -7.443 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -3.466 7.234 -9.505 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -3.323 5.495 -9.662 1.00 0.86 H new ATOM 1026 N THR A 70 -3.883 3.742 -7.734 1.00 0.42 N ATOM 1027 CA THR A 70 -4.260 2.354 -7.531 1.00 0.34 C ATOM 1028 C THR A 70 -3.297 1.680 -6.543 1.00 0.30 C ATOM 1029 O THR A 70 -2.215 2.223 -6.249 1.00 0.33 O ATOM 1030 CB THR A 70 -4.192 1.594 -8.865 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.850 1.661 -9.378 1.00 0.51 O ATOM 1032 CG2 THR A 70 -5.155 2.186 -9.873 1.00 0.48 C ATOM 0 H THR A 70 -2.929 3.868 -8.072 1.00 0.42 H new ATOM 0 HA THR A 70 -5.275 2.330 -7.134 1.00 0.34 H new ATOM 0 HB THR A 70 -4.474 0.555 -8.693 1.00 0.40 H new ATOM 0 HG1 THR A 70 -2.858 1.472 -10.340 1.00 0.51 H new ATOM 0 HG21 THR A 70 -5.089 1.631 -10.809 1.00 0.48 H new ATOM 0 HG22 THR A 70 -6.172 2.123 -9.485 1.00 0.48 H new ATOM 0 HG23 THR A 70 -4.899 3.230 -10.051 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.663 0.507 -5.982 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.789 -0.251 -5.083 1.00 0.33 C ATOM 1042 C PRO A 71 -1.485 -0.690 -5.761 1.00 0.32 C ATOM 1043 O PRO A 71 -0.460 -0.828 -5.101 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.639 -1.461 -4.687 1.00 0.38 C ATOM 1045 CG PRO A 71 -5.031 -0.986 -4.873 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.985 -0.139 -6.103 1.00 0.35 C ATOM 0 HA PRO A 71 -2.466 0.347 -4.231 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -3.423 -2.325 -5.315 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -3.452 -1.762 -3.656 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.721 -1.821 -4.994 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -5.372 -0.413 -4.011 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -5.066 -0.735 -7.012 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.795 0.590 -6.127 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.506 -0.868 -7.090 1.00 0.34 N ATOM 1055 CA ARG A 72 -0.283 -1.246 -7.805 1.00 0.39 C ATOM 1056 C ARG A 72 0.685 -0.072 -7.866 1.00 0.32 C ATOM 1057 O ARG A 72 1.894 -0.256 -7.929 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.542 -1.818 -9.211 1.00 0.52 C ATOM 1059 CG ARG A 72 -1.231 -0.874 -10.166 1.00 0.93 C ATOM 1060 CD ARG A 72 -1.313 -1.444 -11.569 1.00 1.15 C ATOM 1061 NE ARG A 72 -2.053 -2.702 -11.641 1.00 1.31 N ATOM 1062 CZ ARG A 72 -3.159 -2.886 -12.366 1.00 1.78 C ATOM 1063 NH1 ARG A 72 -3.701 -1.854 -13.034 1.00 2.53 N ATOM 1064 NH2 ARG A 72 -3.741 -4.095 -12.394 1.00 1.99 N ATOM 0 H ARG A 72 -2.333 -0.760 -7.677 1.00 0.34 H new ATOM 0 HA ARG A 72 0.169 -2.056 -7.232 1.00 0.39 H new ATOM 0 HB2 ARG A 72 0.411 -2.119 -9.646 1.00 0.52 H new ATOM 0 HB3 ARG A 72 -1.147 -2.719 -9.114 1.00 0.52 H new ATOM 0 HG2 ARG A 72 -2.236 -0.660 -9.802 1.00 0.93 H new ATOM 0 HG3 ARG A 72 -0.693 0.073 -10.191 1.00 0.93 H new ATOM 0 HD2 ARG A 72 -1.789 -0.713 -12.223 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -0.304 -1.602 -11.949 1.00 1.15 H new ATOM 0 HE ARG A 72 -1.701 -3.493 -11.101 1.00 1.31 H new ATOM 0 HH11 ARG A 72 -3.268 -0.932 -12.987 1.00 2.53 H new ATOM 0 HH12 ARG A 72 -4.546 -1.993 -13.588 1.00 2.53 H new ATOM 0 HH21 ARG A 72 -3.338 -4.867 -11.863 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -4.586 -4.242 -12.946 1.00 1.99 H new ATOM 1078 N GLU A 73 0.137 1.133 -7.808 1.00 0.31 N ATOM 1079 CA GLU A 73 0.936 2.342 -7.800 1.00 0.32 C ATOM 1080 C GLU A 73 1.715 2.381 -6.479 1.00 0.26 C ATOM 1081 O GLU A 73 2.917 2.670 -6.441 1.00 0.30 O ATOM 1082 CB GLU A 73 0.009 3.554 -7.882 1.00 0.45 C ATOM 1083 CG GLU A 73 0.685 4.839 -8.274 1.00 0.53 C ATOM 1084 CD GLU A 73 1.193 4.777 -9.688 1.00 1.09 C ATOM 1085 OE1 GLU A 73 0.439 5.112 -10.619 1.00 1.51 O ATOM 1086 OE2 GLU A 73 2.362 4.386 -9.895 1.00 1.86 O ATOM 0 H GLU A 73 -0.869 1.296 -7.765 1.00 0.31 H new ATOM 0 HA GLU A 73 1.622 2.359 -8.647 1.00 0.32 H new ATOM 0 HB2 GLU A 73 -0.781 3.341 -8.602 1.00 0.45 H new ATOM 0 HB3 GLU A 73 -0.471 3.693 -6.913 1.00 0.45 H new ATOM 0 HG2 GLU A 73 -0.016 5.667 -8.173 1.00 0.53 H new ATOM 0 HG3 GLU A 73 1.514 5.038 -7.595 1.00 0.53 H new ATOM 1093 N LEU A 74 1.010 2.036 -5.411 1.00 0.25 N ATOM 1094 CA LEU A 74 1.566 1.986 -4.066 1.00 0.26 C ATOM 1095 C LEU A 74 2.589 0.826 -3.993 1.00 0.24 C ATOM 1096 O LEU A 74 3.653 0.951 -3.378 1.00 0.27 O ATOM 1097 CB LEU A 74 0.379 1.836 -3.055 1.00 0.29 C ATOM 1098 CG LEU A 74 0.641 1.976 -1.530 1.00 0.33 C ATOM 1099 CD1 LEU A 74 1.372 0.784 -0.953 1.00 1.30 C ATOM 1100 CD2 LEU A 74 1.389 3.266 -1.222 1.00 1.14 C ATOM 0 H LEU A 74 0.024 1.780 -5.455 1.00 0.25 H new ATOM 0 HA LEU A 74 2.104 2.897 -3.806 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.374 2.577 -3.325 1.00 0.29 H new ATOM 0 HB3 LEU A 74 -0.066 0.855 -3.220 1.00 0.29 H new ATOM 0 HG LEU A 74 -0.336 2.013 -1.048 1.00 0.33 H new ATOM 0 HD11 LEU A 74 1.529 0.935 0.115 1.00 1.30 H new ATOM 0 HD12 LEU A 74 0.779 -0.117 -1.109 1.00 1.30 H new ATOM 0 HD13 LEU A 74 2.336 0.674 -1.449 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.560 3.340 -0.148 1.00 1.14 H new ATOM 0 HD22 LEU A 74 2.347 3.264 -1.743 1.00 1.14 H new ATOM 0 HD23 LEU A 74 0.797 4.118 -1.555 1.00 1.14 H new ATOM 1112 N LEU A 75 2.255 -0.270 -4.664 1.00 0.22 N ATOM 1113 CA LEU A 75 3.113 -1.446 -4.788 1.00 0.24 C ATOM 1114 C LEU A 75 4.472 -1.056 -5.381 1.00 0.23 C ATOM 1115 O LEU A 75 5.526 -1.309 -4.777 1.00 0.25 O ATOM 1116 CB LEU A 75 2.421 -2.466 -5.711 1.00 0.28 C ATOM 1117 CG LEU A 75 3.166 -3.765 -6.026 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.282 -4.638 -4.799 1.00 0.42 C ATOM 1119 CD2 LEU A 75 2.473 -4.509 -7.148 1.00 0.47 C ATOM 0 H LEU A 75 1.362 -0.370 -5.147 1.00 0.22 H new ATOM 0 HA LEU A 75 3.277 -1.880 -3.802 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.464 -2.730 -5.261 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.202 -1.968 -6.656 1.00 0.28 H new ATOM 0 HG LEU A 75 4.175 -3.509 -6.348 1.00 0.36 H new ATOM 0 HD11 LEU A 75 3.816 -5.554 -5.053 1.00 0.42 H new ATOM 0 HD12 LEU A 75 3.828 -4.103 -4.022 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.286 -4.888 -4.435 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.014 -5.431 -7.362 1.00 0.47 H new ATOM 0 HD22 LEU A 75 1.452 -4.748 -6.850 1.00 0.47 H new ATOM 0 HD23 LEU A 75 2.454 -3.885 -8.041 1.00 0.47 H new ATOM 1131 N ASP A 76 4.431 -0.405 -6.544 1.00 0.24 N ATOM 1132 CA ASP A 76 5.645 0.004 -7.272 1.00 0.30 C ATOM 1133 C ASP A 76 6.494 0.966 -6.457 1.00 0.28 C ATOM 1134 O ASP A 76 7.723 0.858 -6.437 1.00 0.31 O ATOM 1135 CB ASP A 76 5.294 0.646 -8.613 1.00 0.40 C ATOM 1136 CG ASP A 76 6.526 1.004 -9.414 1.00 0.57 C ATOM 1137 OD1 ASP A 76 7.150 0.110 -10.035 1.00 0.76 O ATOM 1138 OD2 ASP A 76 6.904 2.205 -9.436 1.00 0.64 O ATOM 0 H ASP A 76 3.562 -0.145 -7.011 1.00 0.24 H new ATOM 0 HA ASP A 76 6.224 -0.902 -7.450 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.673 -0.039 -9.191 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.701 1.544 -8.440 1.00 0.40 H new ATOM 1143 N LEU A 77 5.818 1.872 -5.762 1.00 0.27 N ATOM 1144 CA LEU A 77 6.445 2.879 -4.900 1.00 0.29 C ATOM 1145 C LEU A 77 7.380 2.196 -3.908 1.00 0.28 C ATOM 1146 O LEU A 77 8.572 2.540 -3.795 1.00 0.33 O ATOM 1147 CB LEU A 77 5.323 3.668 -4.157 1.00 0.32 C ATOM 1148 CG LEU A 77 5.689 4.904 -3.282 1.00 0.43 C ATOM 1149 CD1 LEU A 77 4.416 5.627 -2.904 1.00 0.96 C ATOM 1150 CD2 LEU A 77 6.432 4.526 -1.990 1.00 0.63 C ATOM 0 H LEU A 77 4.800 1.933 -5.779 1.00 0.27 H new ATOM 0 HA LEU A 77 7.035 3.575 -5.496 1.00 0.29 H new ATOM 0 HB2 LEU A 77 4.610 4.003 -4.910 1.00 0.32 H new ATOM 0 HB3 LEU A 77 4.799 2.960 -3.515 1.00 0.32 H new ATOM 0 HG LEU A 77 6.354 5.533 -3.874 1.00 0.43 H new ATOM 0 HD11 LEU A 77 4.659 6.495 -2.291 1.00 0.96 H new ATOM 0 HD12 LEU A 77 3.901 5.954 -3.807 1.00 0.96 H new ATOM 0 HD13 LEU A 77 3.769 4.954 -2.341 1.00 0.96 H new ATOM 0 HD21 LEU A 77 6.659 5.429 -1.424 1.00 0.63 H new ATOM 0 HD22 LEU A 77 5.804 3.869 -1.388 1.00 0.63 H new ATOM 0 HD23 LEU A 77 7.360 4.012 -2.241 1.00 0.63 H new ATOM 1162 N ILE A 78 6.855 1.214 -3.220 1.00 0.25 N ATOM 1163 CA ILE A 78 7.610 0.533 -2.207 1.00 0.28 C ATOM 1164 C ILE A 78 8.604 -0.432 -2.839 1.00 0.30 C ATOM 1165 O ILE A 78 9.688 -0.619 -2.328 1.00 0.34 O ATOM 1166 CB ILE A 78 6.690 -0.189 -1.205 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.636 0.801 -0.706 1.00 0.40 C ATOM 1168 CG2 ILE A 78 7.511 -0.717 -0.023 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.626 0.208 0.228 1.00 0.51 C ATOM 0 H ILE A 78 5.903 0.869 -3.346 1.00 0.25 H new ATOM 0 HA ILE A 78 8.171 1.281 -1.647 1.00 0.28 H new ATOM 0 HB ILE A 78 6.204 -1.033 -1.694 1.00 0.34 H new ATOM 0 HG12 ILE A 78 6.139 1.626 -0.202 1.00 0.40 H new ATOM 0 HG13 ILE A 78 5.115 1.223 -1.565 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.851 -1.226 0.680 1.00 0.40 H new ATOM 0 HG22 ILE A 78 8.263 -1.417 -0.386 1.00 0.40 H new ATOM 0 HG23 ILE A 78 8.003 0.116 0.479 1.00 0.40 H new ATOM 0 HD11 ILE A 78 3.917 0.977 0.533 1.00 0.51 H new ATOM 0 HD12 ILE A 78 4.093 -0.598 -0.277 1.00 0.51 H new ATOM 0 HD13 ILE A 78 5.133 -0.188 1.108 1.00 0.51 H new ATOM 1181 N ASN A 79 8.244 -1.006 -3.984 1.00 0.34 N ATOM 1182 CA ASN A 79 9.165 -1.899 -4.711 1.00 0.43 C ATOM 1183 C ASN A 79 10.424 -1.160 -5.135 1.00 0.46 C ATOM 1184 O ASN A 79 11.522 -1.716 -5.101 1.00 0.50 O ATOM 1185 CB ASN A 79 8.519 -2.566 -5.941 1.00 0.55 C ATOM 1186 CG ASN A 79 7.708 -3.831 -5.650 1.00 0.62 C ATOM 1187 OD1 ASN A 79 7.676 -4.745 -6.473 1.00 1.33 O ATOM 1188 ND2 ASN A 79 7.026 -3.896 -4.532 1.00 0.84 N ATOM 0 H ASN A 79 7.336 -0.877 -4.430 1.00 0.34 H new ATOM 0 HA ASN A 79 9.424 -2.691 -4.009 1.00 0.43 H new ATOM 0 HB2 ASN A 79 7.867 -1.840 -6.426 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.305 -2.815 -6.654 1.00 0.55 H new ATOM 0 HD21 ASN A 79 6.454 -4.716 -4.330 1.00 0.84 H new ATOM 0 HD22 ASN A 79 7.067 -3.126 -3.864 1.00 0.84 H new ATOM 1195 N GLY A 80 10.261 0.088 -5.539 1.00 0.47 N ATOM 1196 CA GLY A 80 11.393 0.910 -5.888 1.00 0.56 C ATOM 1197 C GLY A 80 12.262 1.180 -4.676 1.00 0.55 C ATOM 1198 O GLY A 80 13.483 1.042 -4.735 1.00 0.63 O ATOM 0 H GLY A 80 9.355 0.548 -5.631 1.00 0.47 H new ATOM 0 HA2 GLY A 80 11.982 0.415 -6.660 1.00 0.56 H new ATOM 0 HA3 GLY A 80 11.046 1.854 -6.309 1.00 0.56 H new ATOM 1202 N ALA A 81 11.620 1.521 -3.566 1.00 0.49 N ATOM 1203 CA ALA A 81 12.312 1.814 -2.304 1.00 0.53 C ATOM 1204 C ALA A 81 13.051 0.582 -1.775 1.00 0.50 C ATOM 1205 O ALA A 81 14.221 0.659 -1.401 1.00 0.61 O ATOM 1206 CB ALA A 81 11.321 2.324 -1.262 1.00 0.53 C ATOM 0 H ALA A 81 10.605 1.604 -3.509 1.00 0.49 H new ATOM 0 HA ALA A 81 13.051 2.590 -2.500 1.00 0.53 H new ATOM 0 HB1 ALA A 81 11.848 2.537 -0.332 1.00 0.53 H new ATOM 0 HB2 ALA A 81 10.846 3.235 -1.627 1.00 0.53 H new ATOM 0 HB3 ALA A 81 10.560 1.565 -1.082 1.00 0.53 H new ATOM 1212 N LEU A 82 12.371 -0.559 -1.804 1.00 0.42 N ATOM 1213 CA LEU A 82 12.898 -1.833 -1.308 1.00 0.44 C ATOM 1214 C LEU A 82 14.160 -2.280 -2.023 1.00 0.56 C ATOM 1215 O LEU A 82 14.980 -2.992 -1.448 1.00 0.74 O ATOM 1216 CB LEU A 82 11.847 -2.927 -1.402 1.00 0.40 C ATOM 1217 CG LEU A 82 10.704 -2.869 -0.410 1.00 0.38 C ATOM 1218 CD1 LEU A 82 9.709 -3.960 -0.720 1.00 0.45 C ATOM 1219 CD2 LEU A 82 11.232 -3.041 0.994 1.00 0.46 C ATOM 0 H LEU A 82 11.424 -0.630 -2.177 1.00 0.42 H new ATOM 0 HA LEU A 82 13.161 -1.660 -0.265 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.425 -2.906 -2.407 1.00 0.40 H new ATOM 0 HB3 LEU A 82 12.347 -3.888 -1.287 1.00 0.40 H new ATOM 0 HG LEU A 82 10.211 -1.900 -0.487 1.00 0.38 H new ATOM 0 HD11 LEU A 82 8.887 -3.917 -0.005 1.00 0.45 H new ATOM 0 HD12 LEU A 82 9.320 -3.822 -1.729 1.00 0.45 H new ATOM 0 HD13 LEU A 82 10.200 -4.931 -0.650 1.00 0.45 H new ATOM 0 HD21 LEU A 82 10.404 -2.998 1.702 1.00 0.46 H new ATOM 0 HD22 LEU A 82 11.732 -4.006 1.079 1.00 0.46 H new ATOM 0 HD23 LEU A 82 11.941 -2.244 1.216 1.00 0.46 H new ATOM 1231 N ALA A 83 14.335 -1.836 -3.253 1.00 0.56 N ATOM 1232 CA ALA A 83 15.504 -2.194 -4.045 1.00 0.71 C ATOM 1233 C ALA A 83 16.783 -1.594 -3.455 1.00 0.84 C ATOM 1234 O ALA A 83 17.890 -2.069 -3.727 1.00 1.00 O ATOM 1235 CB ALA A 83 15.322 -1.746 -5.488 1.00 0.78 C ATOM 0 H ALA A 83 13.678 -1.221 -3.732 1.00 0.56 H new ATOM 0 HA ALA A 83 15.605 -3.279 -4.023 1.00 0.71 H new ATOM 0 HB1 ALA A 83 16.203 -2.020 -6.068 1.00 0.78 H new ATOM 0 HB2 ALA A 83 14.443 -2.232 -5.912 1.00 0.78 H new ATOM 0 HB3 ALA A 83 15.189 -0.665 -5.519 1.00 0.78 H new ATOM 1241 N GLU A 84 16.627 -0.569 -2.635 1.00 0.89 N ATOM 1242 CA GLU A 84 17.751 0.090 -2.021 1.00 1.12 C ATOM 1243 C GLU A 84 17.555 0.079 -0.495 1.00 1.10 C ATOM 1244 O GLU A 84 18.134 0.888 0.256 1.00 1.37 O ATOM 1245 CB GLU A 84 17.837 1.509 -2.567 1.00 1.34 C ATOM 1246 CG GLU A 84 19.119 2.245 -2.254 1.00 1.96 C ATOM 1247 CD GLU A 84 19.092 3.634 -2.791 1.00 2.48 C ATOM 1248 OE1 GLU A 84 19.399 3.822 -3.980 1.00 3.17 O ATOM 1249 OE2 GLU A 84 18.743 4.566 -2.038 1.00 2.77 O ATOM 0 H GLU A 84 15.720 -0.177 -2.381 1.00 0.89 H new ATOM 0 HA GLU A 84 18.686 -0.423 -2.248 1.00 1.12 H new ATOM 0 HB2 GLU A 84 17.714 1.472 -3.649 1.00 1.34 H new ATOM 0 HB3 GLU A 84 17.001 2.085 -2.170 1.00 1.34 H new ATOM 0 HG2 GLU A 84 19.270 2.273 -1.175 1.00 1.96 H new ATOM 0 HG3 GLU A 84 19.964 1.705 -2.680 1.00 1.96 H new ATOM 1256 N ALA A 85 16.753 -0.856 -0.045 1.00 1.08 N ATOM 1257 CA ALA A 85 16.485 -1.024 1.357 1.00 1.24 C ATOM 1258 C ALA A 85 17.161 -2.287 1.835 1.00 1.57 C ATOM 1259 O ALA A 85 16.994 -3.354 1.233 1.00 1.86 O ATOM 1260 CB ALA A 85 14.990 -1.087 1.615 1.00 1.36 C ATOM 0 H ALA A 85 16.268 -1.522 -0.646 1.00 1.08 H new ATOM 0 HA ALA A 85 16.879 -0.169 1.907 1.00 1.24 H new ATOM 0 HB1 ALA A 85 14.810 -1.214 2.682 1.00 1.36 H new ATOM 0 HB2 ALA A 85 14.523 -0.162 1.276 1.00 1.36 H new ATOM 0 HB3 ALA A 85 14.562 -1.930 1.072 1.00 1.36 H new