USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 776 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 62 SER OG : rot 137:sc= 1.7 USER MOD Set 1.2: A 90 ASN : amide:sc= 0.75 K(o=2.4,f=-0.57) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.412 K(o=0.41,f=-0.65) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl -175:sc= 0 (180deg=-0.0119) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -158:sc= 0.782 USER MOD Single : A 74 MET CE :methyl 171:sc= 0 (180deg=-0.09) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 1.95 (180deg=1.89) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 120:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -89:sc= 0.965 USER MOD Single : A 91 GLN : amide:sc= -0.0946 X(o=-0.095,f=-0.11) USER MOD Single : A 92 ASN : amide:sc= 0.298 X(o=0.3,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0657 USER MOD Single : A 98 CYS SG : rot 180:sc= -0.0256 USER MOD Single : A 100 THR OG1 : rot -43:sc= 0.00316 USER MOD Single : A 101 HIS : no HE2:sc= 0.939 K(o=0.94,f=-2.9!) USER MOD Single : A 106 THR OG1 : rot -82:sc= 1.33 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0748 X(o=-0.075,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 16.386 -1.477 10.044 1.00 1.80 N ATOM 28 CA ALA A 3 15.317 -2.207 9.371 1.00 1.46 C ATOM 29 C ALA A 3 13.972 -2.184 10.131 1.00 1.07 C ATOM 30 O ALA A 3 12.927 -2.255 9.489 1.00 0.89 O ATOM 31 CB ALA A 3 15.789 -3.638 9.103 1.00 1.69 C ATOM 0 HA ALA A 3 15.110 -1.699 8.429 1.00 1.46 H new ATOM 0 HB1 ALA A 3 14.998 -4.194 8.600 1.00 1.69 H new ATOM 0 HB2 ALA A 3 16.676 -3.616 8.470 1.00 1.69 H new ATOM 0 HB3 ALA A 3 16.030 -4.125 10.048 1.00 1.69 H new ATOM 37 N LEU A 4 13.962 -2.033 11.464 1.00 1.15 N ATOM 38 CA LEU A 4 12.731 -1.888 12.257 1.00 0.97 C ATOM 39 C LEU A 4 12.004 -0.560 11.979 1.00 1.00 C ATOM 40 O LEU A 4 10.775 -0.531 11.986 1.00 1.04 O ATOM 41 CB LEU A 4 13.055 -2.037 13.760 1.00 1.12 C ATOM 42 CG LEU A 4 11.835 -2.026 14.700 1.00 1.14 C ATOM 43 CD1 LEU A 4 10.896 -3.188 14.409 1.00 1.35 C ATOM 44 CD2 LEU A 4 12.277 -2.149 16.156 1.00 1.41 C ATOM 0 H LEU A 4 14.813 -2.008 12.026 1.00 1.15 H new ATOM 0 HA LEU A 4 12.048 -2.682 11.955 1.00 0.97 H new ATOM 0 HB2 LEU A 4 13.598 -2.971 13.907 1.00 1.12 H new ATOM 0 HB3 LEU A 4 13.726 -1.229 14.052 1.00 1.12 H new ATOM 0 HG LEU A 4 11.319 -1.081 14.531 1.00 1.14 H new ATOM 0 HD11 LEU A 4 10.047 -3.149 15.091 1.00 1.35 H new ATOM 0 HD12 LEU A 4 10.540 -3.119 13.381 1.00 1.35 H new ATOM 0 HD13 LEU A 4 11.428 -4.129 14.546 1.00 1.35 H new ATOM 0 HD21 LEU A 4 11.401 -2.139 16.804 1.00 1.41 H new ATOM 0 HD22 LEU A 4 12.820 -3.084 16.294 1.00 1.41 H new ATOM 0 HD23 LEU A 4 12.926 -1.312 16.411 1.00 1.41 H new ATOM 56 N ALA A 5 12.741 0.527 11.724 1.00 1.20 N ATOM 57 CA ALA A 5 12.160 1.775 11.226 1.00 1.36 C ATOM 58 C ALA A 5 11.778 1.665 9.737 1.00 1.16 C ATOM 59 O ALA A 5 10.763 2.222 9.309 1.00 1.31 O ATOM 60 CB ALA A 5 13.154 2.917 11.479 1.00 1.74 C ATOM 0 H ALA A 5 13.752 0.565 11.857 1.00 1.20 H new ATOM 0 HA ALA A 5 11.234 1.984 11.762 1.00 1.36 H new ATOM 0 HB1 ALA A 5 12.733 3.853 11.112 1.00 1.74 H new ATOM 0 HB2 ALA A 5 13.348 3.000 12.548 1.00 1.74 H new ATOM 0 HB3 ALA A 5 14.088 2.709 10.956 1.00 1.74 H new ATOM 66 N LYS A 6 12.588 0.940 8.945 1.00 0.95 N ATOM 67 CA LYS A 6 12.495 0.881 7.480 1.00 0.83 C ATOM 68 C LYS A 6 11.128 0.435 6.954 1.00 0.81 C ATOM 69 O LYS A 6 10.662 1.034 5.991 1.00 0.89 O ATOM 70 CB LYS A 6 13.657 0.033 6.940 1.00 0.88 C ATOM 71 CG LYS A 6 13.936 0.313 5.456 1.00 1.07 C ATOM 72 CD LYS A 6 15.280 -0.262 4.991 1.00 1.45 C ATOM 73 CE LYS A 6 15.269 -1.792 4.911 1.00 2.27 C ATOM 74 NZ LYS A 6 16.632 -2.300 4.637 1.00 2.85 N ATOM 0 H LYS A 6 13.344 0.365 9.318 1.00 0.95 H new ATOM 0 HA LYS A 6 12.588 1.897 7.097 1.00 0.83 H new ATOM 0 HB2 LYS A 6 14.556 0.238 7.522 1.00 0.88 H new ATOM 0 HB3 LYS A 6 13.426 -1.024 7.072 1.00 0.88 H new ATOM 0 HG2 LYS A 6 13.134 -0.113 4.853 1.00 1.07 H new ATOM 0 HG3 LYS A 6 13.927 1.389 5.285 1.00 1.07 H new ATOM 0 HD2 LYS A 6 15.527 0.148 4.012 1.00 1.45 H new ATOM 0 HD3 LYS A 6 16.065 0.057 5.677 1.00 1.45 H new ATOM 0 HE2 LYS A 6 14.899 -2.210 5.847 1.00 2.27 H new ATOM 0 HE3 LYS A 6 14.587 -2.117 4.125 1.00 2.27 H new ATOM 0 HZ1 LYS A 6 16.611 -3.338 4.585 1.00 2.85 H new ATOM 0 HZ2 LYS A 6 16.971 -1.915 3.732 1.00 2.85 H new ATOM 0 HZ3 LYS A 6 17.273 -2.004 5.401 1.00 2.85 H new ATOM 88 N LEU A 7 10.436 -0.506 7.613 1.00 0.86 N ATOM 89 CA LEU A 7 9.055 -0.903 7.259 1.00 1.07 C ATOM 90 C LEU A 7 8.140 0.329 7.081 1.00 1.37 C ATOM 91 O LEU A 7 7.479 0.483 6.057 1.00 1.66 O ATOM 92 CB LEU A 7 8.453 -1.824 8.351 1.00 1.07 C ATOM 93 CG LEU A 7 8.810 -3.324 8.339 1.00 0.81 C ATOM 94 CD1 LEU A 7 8.303 -4.055 7.102 1.00 1.04 C ATOM 95 CD2 LEU A 7 10.301 -3.580 8.478 1.00 0.74 C ATOM 0 H LEU A 7 10.815 -1.018 8.410 1.00 0.86 H new ATOM 0 HA LEU A 7 9.109 -1.442 6.313 1.00 1.07 H new ATOM 0 HB2 LEU A 7 8.748 -1.423 9.320 1.00 1.07 H new ATOM 0 HB3 LEU A 7 7.368 -1.743 8.289 1.00 1.07 H new ATOM 0 HG LEU A 7 8.297 -3.723 9.214 1.00 0.81 H new ATOM 0 HD11 LEU A 7 8.588 -5.105 7.158 1.00 1.04 H new ATOM 0 HD12 LEU A 7 7.217 -3.976 7.052 1.00 1.04 H new ATOM 0 HD13 LEU A 7 8.740 -3.607 6.210 1.00 1.04 H new ATOM 0 HD21 LEU A 7 10.489 -4.654 8.463 1.00 0.74 H new ATOM 0 HD22 LEU A 7 10.830 -3.107 7.650 1.00 0.74 H new ATOM 0 HD23 LEU A 7 10.655 -3.163 9.421 1.00 0.74 H new ATOM 107 N ILE A 8 8.168 1.238 8.059 1.00 1.42 N ATOM 108 CA ILE A 8 7.387 2.485 8.064 1.00 1.65 C ATOM 109 C ILE A 8 7.912 3.500 7.031 1.00 1.47 C ATOM 110 O ILE A 8 7.135 4.275 6.469 1.00 1.52 O ATOM 111 CB ILE A 8 7.354 3.067 9.495 1.00 1.86 C ATOM 112 CG1 ILE A 8 6.695 2.095 10.505 1.00 2.09 C ATOM 113 CG2 ILE A 8 6.665 4.440 9.540 1.00 2.08 C ATOM 114 CD1 ILE A 8 5.230 1.716 10.236 1.00 2.35 C ATOM 0 H ILE A 8 8.747 1.128 8.891 1.00 1.42 H new ATOM 0 HA ILE A 8 6.365 2.259 7.761 1.00 1.65 H new ATOM 0 HB ILE A 8 8.394 3.202 9.794 1.00 1.86 H new ATOM 0 HG12 ILE A 8 7.285 1.179 10.532 1.00 2.09 H new ATOM 0 HG13 ILE A 8 6.755 2.542 11.497 1.00 2.09 H new ATOM 0 HG21 ILE A 8 6.664 4.813 10.564 1.00 2.08 H new ATOM 0 HG22 ILE A 8 7.204 5.139 8.900 1.00 2.08 H new ATOM 0 HG23 ILE A 8 5.638 4.343 9.188 1.00 2.08 H new ATOM 0 HD11 ILE A 8 4.883 1.032 11.011 1.00 2.35 H new ATOM 0 HD12 ILE A 8 4.614 2.615 10.244 1.00 2.35 H new ATOM 0 HD13 ILE A 8 5.152 1.231 9.263 1.00 2.35 H new ATOM 126 N SER A 9 9.215 3.478 6.731 1.00 1.28 N ATOM 127 CA SER A 9 9.828 4.352 5.727 1.00 1.18 C ATOM 128 C SER A 9 9.474 3.949 4.287 1.00 1.19 C ATOM 129 O SER A 9 9.478 4.807 3.405 1.00 1.25 O ATOM 130 CB SER A 9 11.352 4.345 5.854 1.00 1.09 C ATOM 131 OG SER A 9 11.812 4.785 7.122 1.00 1.22 O ATOM 0 H SER A 9 9.878 2.848 7.182 1.00 1.28 H new ATOM 0 HA SER A 9 9.427 5.347 5.922 1.00 1.18 H new ATOM 0 HB2 SER A 9 11.720 3.335 5.672 1.00 1.09 H new ATOM 0 HB3 SER A 9 11.777 4.983 5.080 1.00 1.09 H new ATOM 0 HG SER A 9 12.791 4.757 7.143 1.00 1.22 H new ATOM 137 N LEU A 10 9.161 2.671 4.022 1.00 1.25 N ATOM 138 CA LEU A 10 8.714 2.230 2.694 1.00 1.44 C ATOM 139 C LEU A 10 7.314 2.762 2.341 1.00 1.62 C ATOM 140 O LEU A 10 7.051 3.020 1.161 1.00 1.78 O ATOM 141 CB LEU A 10 8.741 0.690 2.564 1.00 1.64 C ATOM 142 CG LEU A 10 10.064 0.106 2.030 1.00 1.65 C ATOM 143 CD1 LEU A 10 11.077 -0.091 3.145 1.00 1.94 C ATOM 144 CD2 LEU A 10 9.837 -1.257 1.376 1.00 1.62 C ATOM 0 H LEU A 10 9.210 1.923 4.714 1.00 1.25 H new ATOM 0 HA LEU A 10 9.423 2.652 1.982 1.00 1.44 H new ATOM 0 HB2 LEU A 10 8.537 0.254 3.542 1.00 1.64 H new ATOM 0 HB3 LEU A 10 7.932 0.382 1.902 1.00 1.64 H new ATOM 0 HG LEU A 10 10.443 0.823 1.302 1.00 1.65 H new ATOM 0 HD11 LEU A 10 11.997 -0.504 2.732 1.00 1.94 H new ATOM 0 HD12 LEU A 10 11.290 0.868 3.617 1.00 1.94 H new ATOM 0 HD13 LEU A 10 10.672 -0.779 3.887 1.00 1.94 H new ATOM 0 HD21 LEU A 10 10.786 -1.647 1.008 1.00 1.62 H new ATOM 0 HD22 LEU A 10 9.421 -1.948 2.110 1.00 1.62 H new ATOM 0 HD23 LEU A 10 9.141 -1.150 0.544 1.00 1.62 H new ATOM 156 N GLN A 11 6.413 2.927 3.318 1.00 1.73 N ATOM 157 CA GLN A 11 5.049 3.408 3.069 1.00 1.96 C ATOM 158 C GLN A 11 5.047 4.828 2.476 1.00 1.86 C ATOM 159 O GLN A 11 5.910 5.651 2.787 1.00 1.79 O ATOM 160 CB GLN A 11 4.189 3.356 4.336 1.00 2.14 C ATOM 161 CG GLN A 11 3.982 1.961 4.929 1.00 2.06 C ATOM 162 CD GLN A 11 3.031 2.026 6.122 1.00 2.29 C ATOM 163 OE1 GLN A 11 3.431 1.959 7.275 1.00 2.23 O ATOM 164 NE2 GLN A 11 1.739 2.183 5.923 1.00 3.65 N ATOM 0 H GLN A 11 6.609 2.731 4.300 1.00 1.73 H new ATOM 0 HA GLN A 11 4.608 2.734 2.335 1.00 1.96 H new ATOM 0 HB2 GLN A 11 4.649 3.990 5.094 1.00 2.14 H new ATOM 0 HB3 GLN A 11 3.213 3.785 4.111 1.00 2.14 H new ATOM 0 HG2 GLN A 11 3.577 1.292 4.169 1.00 2.06 H new ATOM 0 HG3 GLN A 11 4.940 1.546 5.242 1.00 2.06 H new ATOM 0 HE21 GLN A 11 1.373 2.243 4.973 1.00 3.65 H new ATOM 0 HE22 GLN A 11 1.104 2.245 6.719 1.00 3.65 H new ATOM 173 N ALA A 12 4.062 5.107 1.619 1.00 1.92 N ATOM 174 CA ALA A 12 4.017 6.290 0.755 1.00 1.97 C ATOM 175 C ALA A 12 3.980 7.671 1.448 1.00 2.09 C ATOM 176 O ALA A 12 4.289 8.662 0.786 1.00 3.79 O ATOM 177 CB ALA A 12 2.809 6.126 -0.172 1.00 1.82 C ATOM 0 H ALA A 12 3.251 4.499 1.503 1.00 1.92 H new ATOM 0 HA ALA A 12 4.971 6.315 0.228 1.00 1.97 H new ATOM 0 HB1 ALA A 12 2.739 6.989 -0.834 1.00 1.82 H new ATOM 0 HB2 ALA A 12 2.927 5.220 -0.767 1.00 1.82 H new ATOM 0 HB3 ALA A 12 1.900 6.052 0.425 1.00 1.82 H new ATOM 183 N THR A 13 3.573 7.776 2.720 1.00 1.63 N ATOM 184 CA THR A 13 3.373 9.041 3.478 1.00 1.64 C ATOM 185 C THR A 13 2.213 9.922 2.962 1.00 1.39 C ATOM 186 O THR A 13 1.576 10.621 3.754 1.00 1.42 O ATOM 187 CB THR A 13 4.691 9.846 3.594 1.00 1.96 C ATOM 188 OG1 THR A 13 5.761 9.042 4.065 1.00 2.65 O ATOM 189 CG2 THR A 13 4.611 11.025 4.563 1.00 1.86 C ATOM 0 H THR A 13 3.362 6.952 3.283 1.00 1.63 H new ATOM 0 HA THR A 13 3.068 8.729 4.477 1.00 1.64 H new ATOM 0 HB THR A 13 4.861 10.205 2.579 1.00 1.96 H new ATOM 0 HG1 THR A 13 6.576 9.583 4.124 1.00 2.65 H new ATOM 0 HG21 THR A 13 5.572 11.539 4.590 1.00 1.86 H new ATOM 0 HG22 THR A 13 3.838 11.717 4.230 1.00 1.86 H new ATOM 0 HG23 THR A 13 4.367 10.660 5.561 1.00 1.86 H new ATOM 197 N GLU A 14 1.878 9.852 1.670 1.00 1.21 N ATOM 198 CA GLU A 14 0.777 10.559 0.999 1.00 1.08 C ATOM 199 C GLU A 14 0.006 9.666 0.001 1.00 0.96 C ATOM 200 O GLU A 14 0.542 8.670 -0.493 1.00 0.99 O ATOM 201 CB GLU A 14 1.314 11.839 0.332 1.00 1.18 C ATOM 202 CG GLU A 14 2.238 11.604 -0.874 1.00 1.22 C ATOM 203 CD GLU A 14 2.636 12.941 -1.507 1.00 1.66 C ATOM 204 OE1 GLU A 14 1.806 13.529 -2.249 1.00 2.80 O ATOM 205 OE2 GLU A 14 3.755 13.442 -1.231 1.00 2.63 O ATOM 0 H GLU A 14 2.400 9.263 1.021 1.00 1.21 H new ATOM 0 HA GLU A 14 0.047 10.837 1.759 1.00 1.08 H new ATOM 0 HB2 GLU A 14 0.468 12.445 0.009 1.00 1.18 H new ATOM 0 HB3 GLU A 14 1.856 12.420 1.078 1.00 1.18 H new ATOM 0 HG2 GLU A 14 3.130 11.064 -0.557 1.00 1.22 H new ATOM 0 HG3 GLU A 14 1.733 10.981 -1.612 1.00 1.22 H new ATOM 212 N ALA A 15 -1.255 10.010 -0.300 1.00 0.87 N ATOM 213 CA ALA A 15 -2.159 9.254 -1.176 1.00 0.80 C ATOM 214 C ALA A 15 -3.057 10.150 -2.067 1.00 0.76 C ATOM 215 O ALA A 15 -3.208 11.343 -1.793 1.00 0.88 O ATOM 216 CB ALA A 15 -3.001 8.322 -0.291 1.00 0.79 C ATOM 0 H ALA A 15 -1.688 10.854 0.075 1.00 0.87 H new ATOM 0 HA ALA A 15 -1.556 8.681 -1.880 1.00 0.80 H new ATOM 0 HB1 ALA A 15 -3.684 7.746 -0.916 1.00 0.79 H new ATOM 0 HB2 ALA A 15 -2.343 7.642 0.250 1.00 0.79 H new ATOM 0 HB3 ALA A 15 -3.574 8.916 0.421 1.00 0.79 H new ATOM 222 N THR A 16 -3.687 9.553 -3.089 1.00 0.64 N ATOM 223 CA THR A 16 -4.732 10.165 -3.945 1.00 0.55 C ATOM 224 C THR A 16 -6.078 9.433 -3.793 1.00 0.51 C ATOM 225 O THR A 16 -6.237 8.326 -4.312 1.00 0.54 O ATOM 226 CB THR A 16 -4.333 10.199 -5.436 1.00 0.62 C ATOM 227 OG1 THR A 16 -3.155 10.941 -5.688 1.00 0.83 O ATOM 228 CG2 THR A 16 -5.397 10.891 -6.295 1.00 0.65 C ATOM 0 H THR A 16 -3.479 8.591 -3.359 1.00 0.64 H new ATOM 0 HA THR A 16 -4.838 11.194 -3.601 1.00 0.55 H new ATOM 0 HB THR A 16 -4.201 9.147 -5.687 1.00 0.62 H new ATOM 0 HG1 THR A 16 -2.956 10.923 -6.647 1.00 0.83 H new ATOM 0 HG21 THR A 16 -5.078 10.894 -7.337 1.00 0.65 H new ATOM 0 HG22 THR A 16 -6.342 10.354 -6.206 1.00 0.65 H new ATOM 0 HG23 THR A 16 -5.529 11.918 -5.953 1.00 0.65 H new ATOM 236 N ILE A 17 -7.068 10.051 -3.135 1.00 0.53 N ATOM 237 CA ILE A 17 -8.442 9.526 -2.998 1.00 0.55 C ATOM 238 C ILE A 17 -9.279 9.940 -4.217 1.00 0.58 C ATOM 239 O ILE A 17 -9.200 11.095 -4.637 1.00 0.67 O ATOM 240 CB ILE A 17 -9.127 10.039 -1.702 1.00 0.64 C ATOM 241 CG1 ILE A 17 -8.301 9.813 -0.413 1.00 0.68 C ATOM 242 CG2 ILE A 17 -10.523 9.395 -1.574 1.00 0.70 C ATOM 243 CD1 ILE A 17 -8.841 10.584 0.802 1.00 0.73 C ATOM 0 H ILE A 17 -6.938 10.950 -2.671 1.00 0.53 H new ATOM 0 HA ILE A 17 -8.378 8.439 -2.939 1.00 0.55 H new ATOM 0 HB ILE A 17 -9.212 11.121 -1.801 1.00 0.64 H new ATOM 0 HG12 ILE A 17 -8.287 8.748 -0.181 1.00 0.68 H new ATOM 0 HG13 ILE A 17 -7.269 10.113 -0.595 1.00 0.68 H new ATOM 0 HG21 ILE A 17 -11.007 9.753 -0.665 1.00 0.70 H new ATOM 0 HG22 ILE A 17 -11.129 9.666 -2.439 1.00 0.70 H new ATOM 0 HG23 ILE A 17 -10.421 8.311 -1.528 1.00 0.70 H new ATOM 0 HD11 ILE A 17 -8.215 10.380 1.670 1.00 0.73 H new ATOM 0 HD12 ILE A 17 -8.829 11.653 0.589 1.00 0.73 H new ATOM 0 HD13 ILE A 17 -9.863 10.267 1.009 1.00 0.73 H new ATOM 255 N VAL A 18 -10.154 9.069 -4.732 1.00 0.58 N ATOM 256 CA VAL A 18 -11.143 9.405 -5.781 1.00 0.72 C ATOM 257 C VAL A 18 -12.601 9.309 -5.296 1.00 0.92 C ATOM 258 O VAL A 18 -13.003 8.329 -4.667 1.00 1.04 O ATOM 259 CB VAL A 18 -10.934 8.587 -7.068 1.00 0.80 C ATOM 260 CG1 VAL A 18 -9.865 9.209 -7.958 1.00 1.75 C ATOM 261 CG2 VAL A 18 -10.582 7.117 -6.832 1.00 1.73 C ATOM 0 H VAL A 18 -10.202 8.095 -4.432 1.00 0.58 H new ATOM 0 HA VAL A 18 -10.960 10.453 -6.020 1.00 0.72 H new ATOM 0 HB VAL A 18 -11.905 8.613 -7.563 1.00 0.80 H new ATOM 0 HG11 VAL A 18 -9.744 8.605 -8.857 1.00 1.75 H new ATOM 0 HG12 VAL A 18 -10.166 10.219 -8.237 1.00 1.75 H new ATOM 0 HG13 VAL A 18 -8.919 9.248 -7.417 1.00 1.75 H new ATOM 0 HG21 VAL A 18 -10.452 6.615 -7.791 1.00 1.73 H new ATOM 0 HG22 VAL A 18 -9.656 7.052 -6.260 1.00 1.73 H new ATOM 0 HG23 VAL A 18 -11.386 6.635 -6.276 1.00 1.73 H new ATOM 271 N THR A 19 -13.400 10.334 -5.613 1.00 1.04 N ATOM 272 CA THR A 19 -14.796 10.515 -5.169 1.00 1.30 C ATOM 273 C THR A 19 -15.674 10.924 -6.351 1.00 1.40 C ATOM 274 O THR A 19 -15.293 11.782 -7.150 1.00 1.45 O ATOM 275 CB THR A 19 -14.912 11.586 -4.067 1.00 1.51 C ATOM 276 OG1 THR A 19 -14.024 11.321 -3.004 1.00 1.62 O ATOM 277 CG2 THR A 19 -16.304 11.645 -3.438 1.00 1.86 C ATOM 0 H THR A 19 -13.082 11.096 -6.212 1.00 1.04 H new ATOM 0 HA THR A 19 -15.132 9.562 -4.761 1.00 1.30 H new ATOM 0 HB THR A 19 -14.683 12.526 -4.568 1.00 1.51 H new ATOM 0 HG1 THR A 19 -14.117 12.016 -2.319 1.00 1.62 H new ATOM 0 HG21 THR A 19 -16.323 12.418 -2.669 1.00 1.86 H new ATOM 0 HG22 THR A 19 -17.041 11.879 -4.206 1.00 1.86 H new ATOM 0 HG23 THR A 19 -16.542 10.681 -2.989 1.00 1.86 H new ATOM 391 N LEU A 27 -14.924 12.246 -11.679 1.00 1.84 N ATOM 392 CA LEU A 27 -13.849 11.726 -10.828 1.00 1.69 C ATOM 393 C LEU A 27 -13.048 12.881 -10.201 1.00 1.69 C ATOM 394 O LEU A 27 -11.962 13.239 -10.670 1.00 2.36 O ATOM 395 CB LEU A 27 -12.979 10.714 -11.605 1.00 1.86 C ATOM 396 CG LEU A 27 -13.569 9.292 -11.676 1.00 1.89 C ATOM 397 CD1 LEU A 27 -14.882 9.195 -12.454 1.00 2.08 C ATOM 398 CD2 LEU A 27 -12.566 8.350 -12.339 1.00 2.37 C ATOM 0 HA LEU A 27 -14.281 11.172 -9.995 1.00 1.69 H new ATOM 0 HB2 LEU A 27 -12.831 11.084 -12.619 1.00 1.86 H new ATOM 0 HB3 LEU A 27 -11.996 10.664 -11.137 1.00 1.86 H new ATOM 0 HG LEU A 27 -13.777 9.013 -10.643 1.00 1.89 H new ATOM 0 HD11 LEU A 27 -15.228 8.162 -12.456 1.00 2.08 H new ATOM 0 HD12 LEU A 27 -15.633 9.829 -11.981 1.00 2.08 H new ATOM 0 HD13 LEU A 27 -14.722 9.526 -13.480 1.00 2.08 H new ATOM 0 HD21 LEU A 27 -12.987 7.346 -12.387 1.00 2.37 H new ATOM 0 HD22 LEU A 27 -12.349 8.701 -13.348 1.00 2.37 H new ATOM 0 HD23 LEU A 27 -11.645 8.330 -11.756 1.00 2.37 H new ATOM 410 N SER A 28 -13.609 13.480 -9.147 1.00 1.36 N ATOM 411 CA SER A 28 -12.956 14.503 -8.324 1.00 1.44 C ATOM 412 C SER A 28 -11.977 13.851 -7.336 1.00 1.35 C ATOM 413 O SER A 28 -12.347 12.958 -6.566 1.00 1.42 O ATOM 414 CB SER A 28 -14.022 15.320 -7.576 1.00 1.57 C ATOM 415 OG SER A 28 -14.563 16.344 -8.393 1.00 1.75 O ATOM 0 H SER A 28 -14.555 13.261 -8.834 1.00 1.36 H new ATOM 0 HA SER A 28 -12.387 15.173 -8.969 1.00 1.44 H new ATOM 0 HB2 SER A 28 -14.822 14.658 -7.244 1.00 1.57 H new ATOM 0 HB3 SER A 28 -13.582 15.762 -6.682 1.00 1.57 H new ATOM 0 HG SER A 28 -15.238 16.843 -7.888 1.00 1.75 H new ATOM 421 N GLU A 29 -10.713 14.281 -7.332 1.00 1.32 N ATOM 422 CA GLU A 29 -9.655 13.663 -6.513 1.00 1.25 C ATOM 423 C GLU A 29 -9.307 14.486 -5.253 1.00 1.40 C ATOM 424 O GLU A 29 -9.557 15.692 -5.192 1.00 1.82 O ATOM 425 CB GLU A 29 -8.373 13.380 -7.315 1.00 1.44 C ATOM 426 CG GLU A 29 -8.558 12.747 -8.696 1.00 1.53 C ATOM 427 CD GLU A 29 -7.210 12.555 -9.412 1.00 2.21 C ATOM 428 OE1 GLU A 29 -6.441 13.541 -9.540 1.00 3.32 O ATOM 429 OE2 GLU A 29 -6.922 11.431 -9.883 1.00 2.75 O ATOM 0 H GLU A 29 -10.389 15.067 -7.895 1.00 1.32 H new ATOM 0 HA GLU A 29 -10.077 12.712 -6.189 1.00 1.25 H new ATOM 0 HB2 GLU A 29 -7.834 14.319 -7.440 1.00 1.44 H new ATOM 0 HB3 GLU A 29 -7.737 12.724 -6.721 1.00 1.44 H new ATOM 0 HG2 GLU A 29 -9.057 11.783 -8.592 1.00 1.53 H new ATOM 0 HG3 GLU A 29 -9.207 13.378 -9.303 1.00 1.53 H new ATOM 436 N GLU A 30 -8.674 13.856 -4.263 1.00 1.17 N ATOM 437 CA GLU A 30 -8.049 14.515 -3.105 1.00 1.23 C ATOM 438 C GLU A 30 -6.620 13.997 -2.933 1.00 0.98 C ATOM 439 O GLU A 30 -6.424 12.791 -2.793 1.00 0.93 O ATOM 440 CB GLU A 30 -8.811 14.268 -1.789 1.00 1.45 C ATOM 441 CG GLU A 30 -10.282 14.671 -1.818 1.00 1.72 C ATOM 442 CD GLU A 30 -10.933 14.484 -0.442 1.00 3.25 C ATOM 443 OE1 GLU A 30 -10.853 15.402 0.406 1.00 3.98 O ATOM 444 OE2 GLU A 30 -11.572 13.438 -0.164 1.00 4.53 O ATOM 0 H GLU A 30 -8.576 12.841 -4.240 1.00 1.17 H new ATOM 0 HA GLU A 30 -8.066 15.586 -3.308 1.00 1.23 H new ATOM 0 HB2 GLU A 30 -8.743 13.209 -1.539 1.00 1.45 H new ATOM 0 HB3 GLU A 30 -8.314 14.816 -0.989 1.00 1.45 H new ATOM 0 HG2 GLU A 30 -10.371 15.712 -2.127 1.00 1.72 H new ATOM 0 HG3 GLU A 30 -10.812 14.072 -2.559 1.00 1.72 H new ATOM 451 N GLN A 31 -5.624 14.883 -2.894 1.00 0.93 N ATOM 452 CA GLN A 31 -4.254 14.532 -2.511 1.00 0.88 C ATOM 453 C GLN A 31 -4.116 14.756 -1.000 1.00 0.97 C ATOM 454 O GLN A 31 -4.378 15.858 -0.504 1.00 1.09 O ATOM 455 CB GLN A 31 -3.246 15.325 -3.346 1.00 0.93 C ATOM 456 CG GLN A 31 -3.415 14.967 -4.835 1.00 1.06 C ATOM 457 CD GLN A 31 -2.101 15.013 -5.590 1.00 1.27 C ATOM 458 OE1 GLN A 31 -1.827 15.903 -6.388 1.00 1.67 O ATOM 459 NE2 GLN A 31 -1.218 14.072 -5.349 1.00 1.37 N ATOM 0 H GLN A 31 -5.744 15.868 -3.128 1.00 0.93 H new ATOM 0 HA GLN A 31 -4.038 13.484 -2.718 1.00 0.88 H new ATOM 0 HB2 GLN A 31 -3.398 16.394 -3.199 1.00 0.93 H new ATOM 0 HB3 GLN A 31 -2.231 15.099 -3.020 1.00 0.93 H new ATOM 0 HG2 GLN A 31 -3.846 13.969 -4.920 1.00 1.06 H new ATOM 0 HG3 GLN A 31 -4.120 15.659 -5.295 1.00 1.06 H new ATOM 0 HE21 GLN A 31 -1.435 13.327 -4.687 1.00 1.37 H new ATOM 0 HE22 GLN A 31 -0.315 14.086 -5.823 1.00 1.37 H new ATOM 468 N VAL A 32 -3.757 13.712 -0.253 1.00 0.98 N ATOM 469 CA VAL A 32 -3.829 13.686 1.221 1.00 1.08 C ATOM 470 C VAL A 32 -2.595 13.076 1.881 1.00 1.11 C ATOM 471 O VAL A 32 -1.887 12.268 1.286 1.00 1.08 O ATOM 472 CB VAL A 32 -5.087 12.929 1.707 1.00 1.12 C ATOM 473 CG1 VAL A 32 -6.385 13.564 1.193 1.00 1.11 C ATOM 474 CG2 VAL A 32 -5.090 11.446 1.314 1.00 1.07 C ATOM 0 H VAL A 32 -3.402 12.844 -0.654 1.00 0.98 H new ATOM 0 HA VAL A 32 -3.881 14.732 1.524 1.00 1.08 H new ATOM 0 HB VAL A 32 -5.045 13.005 2.794 1.00 1.12 H new ATOM 0 HG11 VAL A 32 -7.239 12.996 1.562 1.00 1.11 H new ATOM 0 HG12 VAL A 32 -6.453 14.592 1.548 1.00 1.11 H new ATOM 0 HG13 VAL A 32 -6.387 13.556 0.103 1.00 1.11 H new ATOM 0 HG21 VAL A 32 -5.999 10.973 1.685 1.00 1.07 H new ATOM 0 HG22 VAL A 32 -5.052 11.357 0.228 1.00 1.07 H new ATOM 0 HG23 VAL A 32 -4.221 10.953 1.749 1.00 1.07 H new ATOM 484 N ASP A 33 -2.381 13.429 3.146 1.00 1.21 N ATOM 485 CA ASP A 33 -1.416 12.764 4.025 1.00 1.26 C ATOM 486 C ASP A 33 -2.011 11.457 4.579 1.00 1.18 C ATOM 487 O ASP A 33 -3.207 11.373 4.861 1.00 1.17 O ATOM 488 CB ASP A 33 -0.999 13.709 5.157 1.00 1.41 C ATOM 489 CG ASP A 33 0.070 14.697 4.699 1.00 2.04 C ATOM 490 OD1 ASP A 33 1.277 14.377 4.816 1.00 2.93 O ATOM 491 OD2 ASP A 33 -0.282 15.819 4.268 1.00 2.97 O ATOM 0 H ASP A 33 -2.879 14.196 3.598 1.00 1.21 H new ATOM 0 HA ASP A 33 -0.525 12.509 3.451 1.00 1.26 H new ATOM 0 HB2 ASP A 33 -1.871 14.256 5.515 1.00 1.41 H new ATOM 0 HB3 ASP A 33 -0.621 13.127 5.997 1.00 1.41 H new ATOM 496 N VAL A 34 -1.174 10.431 4.772 1.00 1.18 N ATOM 497 CA VAL A 34 -1.610 9.097 5.242 1.00 1.11 C ATOM 498 C VAL A 34 -2.342 9.138 6.594 1.00 1.15 C ATOM 499 O VAL A 34 -3.264 8.361 6.831 1.00 1.00 O ATOM 500 CB VAL A 34 -0.411 8.128 5.270 1.00 1.16 C ATOM 501 CG1 VAL A 34 0.600 8.492 6.366 1.00 1.27 C ATOM 502 CG2 VAL A 34 -0.868 6.670 5.417 1.00 1.15 C ATOM 0 H VAL A 34 -0.169 10.496 4.608 1.00 1.18 H new ATOM 0 HA VAL A 34 -2.345 8.728 4.527 1.00 1.11 H new ATOM 0 HB VAL A 34 0.094 8.230 4.310 1.00 1.16 H new ATOM 0 HG11 VAL A 34 1.427 7.782 6.348 1.00 1.27 H new ATOM 0 HG12 VAL A 34 0.981 9.498 6.190 1.00 1.27 H new ATOM 0 HG13 VAL A 34 0.111 8.454 7.339 1.00 1.27 H new ATOM 0 HG21 VAL A 34 0.003 6.015 5.433 1.00 1.15 H new ATOM 0 HG22 VAL A 34 -1.425 6.555 6.347 1.00 1.15 H new ATOM 0 HG23 VAL A 34 -1.507 6.402 4.576 1.00 1.15 H new ATOM 512 N GLU A 35 -2.013 10.103 7.455 1.00 1.43 N ATOM 513 CA GLU A 35 -2.642 10.309 8.769 1.00 1.66 C ATOM 514 C GLU A 35 -4.064 10.923 8.686 1.00 1.74 C ATOM 515 O GLU A 35 -4.745 11.063 9.709 1.00 2.08 O ATOM 516 CB GLU A 35 -1.656 11.139 9.614 1.00 2.09 C ATOM 517 CG GLU A 35 -1.932 11.117 11.122 1.00 2.31 C ATOM 518 CD GLU A 35 -0.684 11.543 11.903 1.00 3.00 C ATOM 519 OE1 GLU A 35 -0.462 12.761 12.111 1.00 3.45 O ATOM 520 OE2 GLU A 35 0.112 10.658 12.303 1.00 3.95 O ATOM 0 H GLU A 35 -1.281 10.784 7.255 1.00 1.43 H new ATOM 0 HA GLU A 35 -2.824 9.348 9.251 1.00 1.66 H new ATOM 0 HB2 GLU A 35 -0.646 10.769 9.437 1.00 2.09 H new ATOM 0 HB3 GLU A 35 -1.682 12.172 9.268 1.00 2.09 H new ATOM 0 HG2 GLU A 35 -2.760 11.786 11.356 1.00 2.31 H new ATOM 0 HG3 GLU A 35 -2.235 10.116 11.428 1.00 2.31 H new ATOM 527 N LEU A 36 -4.525 11.265 7.472 1.00 1.55 N ATOM 528 CA LEU A 36 -5.814 11.905 7.174 1.00 1.60 C ATOM 529 C LEU A 36 -6.794 11.030 6.377 1.00 1.48 C ATOM 530 O LEU A 36 -7.978 11.371 6.324 1.00 1.64 O ATOM 531 CB LEU A 36 -5.567 13.221 6.406 1.00 1.62 C ATOM 532 CG LEU A 36 -4.561 14.210 7.023 1.00 1.75 C ATOM 533 CD1 LEU A 36 -4.442 15.429 6.109 1.00 1.76 C ATOM 534 CD2 LEU A 36 -4.993 14.688 8.406 1.00 1.93 C ATOM 0 H LEU A 36 -3.979 11.093 6.628 1.00 1.55 H new ATOM 0 HA LEU A 36 -6.288 12.086 8.139 1.00 1.60 H new ATOM 0 HB2 LEU A 36 -5.223 12.969 5.403 1.00 1.62 H new ATOM 0 HB3 LEU A 36 -6.523 13.734 6.296 1.00 1.62 H new ATOM 0 HG LEU A 36 -3.608 13.690 7.125 1.00 1.75 H new ATOM 0 HD11 LEU A 36 -3.732 16.136 6.537 1.00 1.76 H new ATOM 0 HD12 LEU A 36 -4.093 15.114 5.126 1.00 1.76 H new ATOM 0 HD13 LEU A 36 -5.417 15.907 6.012 1.00 1.76 H new ATOM 0 HD21 LEU A 36 -4.251 15.383 8.799 1.00 1.93 H new ATOM 0 HD22 LEU A 36 -5.958 15.190 8.333 1.00 1.93 H new ATOM 0 HD23 LEU A 36 -5.079 13.833 9.076 1.00 1.93 H new ATOM 546 N VAL A 37 -6.352 9.915 5.786 1.00 1.25 N ATOM 547 CA VAL A 37 -7.236 8.966 5.078 1.00 1.12 C ATOM 548 C VAL A 37 -7.855 7.951 6.050 1.00 1.18 C ATOM 549 O VAL A 37 -7.245 7.595 7.065 1.00 1.77 O ATOM 550 CB VAL A 37 -6.531 8.333 3.858 1.00 0.90 C ATOM 551 CG1 VAL A 37 -5.272 7.540 4.222 1.00 0.96 C ATOM 552 CG2 VAL A 37 -7.445 7.423 3.031 1.00 0.93 C ATOM 0 H VAL A 37 -5.370 9.639 5.782 1.00 1.25 H new ATOM 0 HA VAL A 37 -8.078 9.520 4.662 1.00 1.12 H new ATOM 0 HB VAL A 37 -6.247 9.197 3.258 1.00 0.90 H new ATOM 0 HG11 VAL A 37 -4.830 7.124 3.317 1.00 0.96 H new ATOM 0 HG12 VAL A 37 -4.553 8.201 4.707 1.00 0.96 H new ATOM 0 HG13 VAL A 37 -5.536 6.730 4.902 1.00 0.96 H new ATOM 0 HG21 VAL A 37 -6.886 7.012 2.190 1.00 0.93 H new ATOM 0 HG22 VAL A 37 -7.810 6.608 3.657 1.00 0.93 H new ATOM 0 HG23 VAL A 37 -8.291 8.000 2.657 1.00 0.93 H new ATOM 562 N GLN A 38 -9.078 7.511 5.751 1.00 0.92 N ATOM 563 CA GLN A 38 -9.892 6.595 6.567 1.00 0.90 C ATOM 564 C GLN A 38 -10.351 5.315 5.823 1.00 0.84 C ATOM 565 O GLN A 38 -10.335 5.254 4.593 1.00 0.85 O ATOM 566 CB GLN A 38 -11.063 7.393 7.152 1.00 1.12 C ATOM 567 CG GLN A 38 -12.076 7.876 6.099 1.00 1.79 C ATOM 568 CD GLN A 38 -13.460 7.393 6.439 1.00 2.18 C ATOM 569 OE1 GLN A 38 -13.936 6.381 5.938 1.00 3.66 O ATOM 570 NE2 GLN A 38 -14.134 8.060 7.330 1.00 1.73 N ATOM 0 H GLN A 38 -9.554 7.794 4.895 1.00 0.92 H new ATOM 0 HA GLN A 38 -9.268 6.205 7.371 1.00 0.90 H new ATOM 0 HB2 GLN A 38 -11.582 6.774 7.884 1.00 1.12 H new ATOM 0 HB3 GLN A 38 -10.670 8.257 7.687 1.00 1.12 H new ATOM 0 HG2 GLN A 38 -12.066 8.965 6.049 1.00 1.79 H new ATOM 0 HG3 GLN A 38 -11.788 7.509 5.114 1.00 1.79 H new ATOM 0 HE21 GLN A 38 -13.736 8.902 7.746 1.00 1.73 H new ATOM 0 HE22 GLN A 38 -15.061 7.741 7.613 1.00 1.73 H new ATOM 579 N ARG A 39 -10.799 4.292 6.570 1.00 0.86 N ATOM 580 CA ARG A 39 -11.072 2.906 6.106 1.00 0.91 C ATOM 581 C ARG A 39 -12.310 2.682 5.201 1.00 0.89 C ATOM 582 O ARG A 39 -12.807 1.554 5.090 1.00 1.55 O ATOM 583 CB ARG A 39 -11.046 1.972 7.337 1.00 1.10 C ATOM 584 CG ARG A 39 -12.328 2.052 8.179 1.00 1.16 C ATOM 585 CD ARG A 39 -12.200 1.318 9.521 1.00 1.45 C ATOM 586 NE ARG A 39 -13.444 1.396 10.315 1.00 1.62 N ATOM 587 CZ ARG A 39 -14.603 0.820 10.039 1.00 2.41 C ATOM 588 NH1 ARG A 39 -14.769 0.019 9.030 1.00 3.51 N ATOM 589 NH2 ARG A 39 -15.652 1.040 10.769 1.00 2.63 N ATOM 0 H ARG A 39 -10.993 4.407 7.565 1.00 0.86 H new ATOM 0 HA ARG A 39 -10.273 2.661 5.406 1.00 0.91 H new ATOM 0 HB2 ARG A 39 -10.901 0.945 7.003 1.00 1.10 H new ATOM 0 HB3 ARG A 39 -10.191 2.228 7.962 1.00 1.10 H new ATOM 0 HG2 ARG A 39 -12.572 3.098 8.363 1.00 1.16 H new ATOM 0 HG3 ARG A 39 -13.157 1.626 7.614 1.00 1.16 H new ATOM 0 HD2 ARG A 39 -11.950 0.273 9.340 1.00 1.45 H new ATOM 0 HD3 ARG A 39 -11.377 1.748 10.093 1.00 1.45 H new ATOM 0 HE ARG A 39 -13.405 1.954 11.168 1.00 1.62 H new ATOM 0 HH11 ARG A 39 -13.986 -0.190 8.410 1.00 3.51 H new ATOM 0 HH12 ARG A 39 -15.682 -0.402 8.858 1.00 3.51 H new ATOM 0 HH21 ARG A 39 -15.592 1.666 11.572 1.00 2.63 H new ATOM 0 HH22 ARG A 39 -16.537 0.587 10.540 1.00 2.63 H new ATOM 603 N GLY A 40 -12.841 3.731 4.574 1.00 1.22 N ATOM 604 CA GLY A 40 -14.049 3.690 3.732 1.00 1.19 C ATOM 605 C GLY A 40 -13.908 4.321 2.343 1.00 1.00 C ATOM 606 O GLY A 40 -14.903 4.415 1.625 1.00 1.00 O ATOM 0 H GLY A 40 -12.434 4.664 4.636 1.00 1.22 H new ATOM 0 HA2 GLY A 40 -14.350 2.650 3.610 1.00 1.19 H new ATOM 0 HA3 GLY A 40 -14.857 4.196 4.261 1.00 1.19 H new ATOM 610 N ASP A 41 -12.705 4.772 1.968 1.00 0.95 N ATOM 611 CA ASP A 41 -12.431 5.470 0.702 1.00 0.90 C ATOM 612 C ASP A 41 -11.565 4.626 -0.267 1.00 0.80 C ATOM 613 O ASP A 41 -11.055 3.556 0.086 1.00 0.85 O ATOM 614 CB ASP A 41 -11.826 6.855 1.014 1.00 1.13 C ATOM 615 CG ASP A 41 -12.831 7.886 1.562 1.00 1.43 C ATOM 616 OD1 ASP A 41 -14.043 7.592 1.690 1.00 2.27 O ATOM 617 OD2 ASP A 41 -12.409 9.027 1.869 1.00 2.06 O ATOM 0 H ASP A 41 -11.874 4.660 2.549 1.00 0.95 H new ATOM 0 HA ASP A 41 -13.368 5.619 0.166 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -11.022 6.730 1.739 1.00 1.13 H new ATOM 0 HB3 ASP A 41 -11.376 7.254 0.105 1.00 1.13 H new ATOM 622 N ILE A 42 -11.437 5.076 -1.519 1.00 0.75 N ATOM 623 CA ILE A 42 -10.823 4.339 -2.639 1.00 0.68 C ATOM 624 C ILE A 42 -9.675 5.159 -3.257 1.00 0.54 C ATOM 625 O ILE A 42 -9.839 6.341 -3.569 1.00 0.52 O ATOM 626 CB ILE A 42 -11.919 3.913 -3.647 1.00 0.79 C ATOM 627 CG1 ILE A 42 -12.875 2.901 -2.963 1.00 1.05 C ATOM 628 CG2 ILE A 42 -11.291 3.332 -4.922 1.00 0.79 C ATOM 629 CD1 ILE A 42 -13.921 2.237 -3.867 1.00 1.17 C ATOM 0 H ILE A 42 -11.770 6.000 -1.796 1.00 0.75 H new ATOM 0 HA ILE A 42 -10.362 3.418 -2.283 1.00 0.68 H new ATOM 0 HB ILE A 42 -12.497 4.786 -3.949 1.00 0.79 H new ATOM 0 HG12 ILE A 42 -12.272 2.117 -2.504 1.00 1.05 H new ATOM 0 HG13 ILE A 42 -13.397 3.415 -2.156 1.00 1.05 H new ATOM 0 HG21 ILE A 42 -12.080 3.040 -5.615 1.00 0.79 H new ATOM 0 HG22 ILE A 42 -10.656 4.084 -5.390 1.00 0.79 H new ATOM 0 HG23 ILE A 42 -10.691 2.459 -4.667 1.00 0.79 H new ATOM 0 HD11 ILE A 42 -14.529 1.552 -3.277 1.00 1.17 H new ATOM 0 HD12 ILE A 42 -14.560 3.002 -4.307 1.00 1.17 H new ATOM 0 HD13 ILE A 42 -13.418 1.684 -4.661 1.00 1.17 H new ATOM 641 N ILE A 43 -8.511 4.522 -3.440 1.00 0.48 N ATOM 642 CA ILE A 43 -7.220 5.169 -3.739 1.00 0.48 C ATOM 643 C ILE A 43 -6.620 4.764 -5.098 1.00 0.50 C ATOM 644 O ILE A 43 -6.554 3.574 -5.415 1.00 0.59 O ATOM 645 CB ILE A 43 -6.223 4.789 -2.610 1.00 0.53 C ATOM 646 CG1 ILE A 43 -6.782 4.907 -1.170 1.00 0.61 C ATOM 647 CG2 ILE A 43 -4.911 5.579 -2.715 1.00 0.60 C ATOM 648 CD1 ILE A 43 -7.288 6.299 -0.779 1.00 0.70 C ATOM 0 H ILE A 43 -8.436 3.506 -3.383 1.00 0.48 H new ATOM 0 HA ILE A 43 -7.397 6.243 -3.792 1.00 0.48 H new ATOM 0 HB ILE A 43 -6.035 3.729 -2.780 1.00 0.53 H new ATOM 0 HG12 ILE A 43 -7.600 4.195 -1.055 1.00 0.61 H new ATOM 0 HG13 ILE A 43 -6.001 4.611 -0.469 1.00 0.61 H new ATOM 0 HG21 ILE A 43 -4.242 5.283 -1.907 1.00 0.60 H new ATOM 0 HG22 ILE A 43 -4.436 5.370 -3.674 1.00 0.60 H new ATOM 0 HG23 ILE A 43 -5.122 6.646 -2.639 1.00 0.60 H new ATOM 0 HD11 ILE A 43 -7.658 6.277 0.246 1.00 0.70 H new ATOM 0 HD12 ILE A 43 -6.472 7.017 -0.855 1.00 0.70 H new ATOM 0 HD13 ILE A 43 -8.095 6.595 -1.450 1.00 0.70 H new ATOM 660 N LYS A 44 -6.099 5.726 -5.877 1.00 0.60 N ATOM 661 CA LYS A 44 -5.304 5.460 -7.098 1.00 0.68 C ATOM 662 C LYS A 44 -3.813 5.266 -6.826 1.00 0.77 C ATOM 663 O LYS A 44 -3.209 6.017 -6.054 1.00 1.05 O ATOM 664 CB LYS A 44 -5.412 6.605 -8.122 1.00 1.00 C ATOM 665 CG LYS A 44 -6.821 7.051 -8.511 1.00 2.05 C ATOM 666 CD LYS A 44 -7.758 5.938 -8.986 1.00 2.61 C ATOM 667 CE LYS A 44 -7.244 5.067 -10.142 1.00 2.07 C ATOM 668 NZ LYS A 44 -6.976 5.861 -11.365 1.00 2.31 N ATOM 0 H LYS A 44 -6.216 6.720 -5.680 1.00 0.60 H new ATOM 0 HA LYS A 44 -5.732 4.537 -7.489 1.00 0.68 H new ATOM 0 HB2 LYS A 44 -4.880 7.469 -7.723 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -4.890 6.300 -9.029 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -7.277 7.544 -7.652 1.00 2.05 H new ATOM 0 HG3 LYS A 44 -6.742 7.797 -9.302 1.00 2.05 H new ATOM 0 HD2 LYS A 44 -7.976 5.289 -8.138 1.00 2.61 H new ATOM 0 HD3 LYS A 44 -8.701 6.391 -9.291 1.00 2.61 H new ATOM 0 HE2 LYS A 44 -6.330 4.559 -9.833 1.00 2.07 H new ATOM 0 HE3 LYS A 44 -7.979 4.294 -10.367 1.00 2.07 H new ATOM 0 HZ1 LYS A 44 -6.631 5.232 -12.118 1.00 2.31 H new ATOM 0 HZ2 LYS A 44 -7.853 6.326 -11.676 1.00 2.31 H new ATOM 0 HZ3 LYS A 44 -6.256 6.583 -11.160 1.00 2.31 H new ATOM 682 N VAL A 45 -3.184 4.355 -7.567 1.00 0.58 N ATOM 683 CA VAL A 45 -1.716 4.177 -7.606 1.00 0.58 C ATOM 684 C VAL A 45 -1.199 4.084 -9.049 1.00 0.69 C ATOM 685 O VAL A 45 -1.788 3.382 -9.869 1.00 0.82 O ATOM 686 CB VAL A 45 -1.287 2.987 -6.723 1.00 0.59 C ATOM 687 CG1 VAL A 45 -1.557 1.622 -7.357 1.00 0.75 C ATOM 688 CG2 VAL A 45 0.196 3.069 -6.344 1.00 0.59 C ATOM 0 H VAL A 45 -3.682 3.702 -8.172 1.00 0.58 H new ATOM 0 HA VAL A 45 -1.245 5.064 -7.181 1.00 0.58 H new ATOM 0 HB VAL A 45 -1.906 3.069 -5.830 1.00 0.59 H new ATOM 0 HG11 VAL A 45 -1.229 0.834 -6.678 1.00 0.75 H new ATOM 0 HG12 VAL A 45 -2.625 1.515 -7.549 1.00 0.75 H new ATOM 0 HG13 VAL A 45 -1.010 1.542 -8.296 1.00 0.75 H new ATOM 0 HG21 VAL A 45 0.460 2.214 -5.722 1.00 0.59 H new ATOM 0 HG22 VAL A 45 0.804 3.061 -7.249 1.00 0.59 H new ATOM 0 HG23 VAL A 45 0.380 3.990 -5.791 1.00 0.59 H new ATOM 698 N VAL A 46 -0.111 4.793 -9.366 1.00 0.74 N ATOM 699 CA VAL A 46 0.417 4.987 -10.739 1.00 0.83 C ATOM 700 C VAL A 46 1.749 4.243 -10.980 1.00 0.68 C ATOM 701 O VAL A 46 2.340 3.729 -10.024 1.00 0.64 O ATOM 702 CB VAL A 46 0.554 6.497 -11.049 1.00 1.02 C ATOM 703 CG1 VAL A 46 -0.798 7.217 -10.959 1.00 1.34 C ATOM 704 CG2 VAL A 46 1.567 7.207 -10.142 1.00 1.00 C ATOM 0 H VAL A 46 0.451 5.267 -8.659 1.00 0.74 H new ATOM 0 HA VAL A 46 -0.304 4.547 -11.428 1.00 0.83 H new ATOM 0 HB VAL A 46 0.926 6.549 -12.072 1.00 1.02 H new ATOM 0 HG11 VAL A 46 -0.662 8.275 -11.183 1.00 1.34 H new ATOM 0 HG12 VAL A 46 -1.491 6.780 -11.678 1.00 1.34 H new ATOM 0 HG13 VAL A 46 -1.202 7.108 -9.953 1.00 1.34 H new ATOM 0 HG21 VAL A 46 1.617 8.263 -10.409 1.00 1.00 H new ATOM 0 HG22 VAL A 46 1.255 7.110 -9.102 1.00 1.00 H new ATOM 0 HG23 VAL A 46 2.550 6.753 -10.269 1.00 1.00 H new ATOM 714 N PRO A 47 2.269 4.152 -12.225 1.00 0.74 N ATOM 715 CA PRO A 47 3.623 3.656 -12.485 1.00 0.76 C ATOM 716 C PRO A 47 4.694 4.431 -11.704 1.00 0.68 C ATOM 717 O PRO A 47 4.686 5.662 -11.663 1.00 0.75 O ATOM 718 CB PRO A 47 3.835 3.773 -13.998 1.00 0.91 C ATOM 719 CG PRO A 47 2.415 3.673 -14.547 1.00 1.30 C ATOM 720 CD PRO A 47 1.592 4.404 -13.489 1.00 0.96 C ATOM 0 HA PRO A 47 3.722 2.624 -12.147 1.00 0.76 H new ATOM 0 HB2 PRO A 47 4.308 4.717 -14.268 1.00 0.91 H new ATOM 0 HB3 PRO A 47 4.473 2.976 -14.380 1.00 0.91 H new ATOM 0 HG2 PRO A 47 2.326 4.144 -15.526 1.00 1.30 H new ATOM 0 HG3 PRO A 47 2.098 2.637 -14.662 1.00 1.30 H new ATOM 0 HD2 PRO A 47 1.541 5.472 -13.701 1.00 0.96 H new ATOM 0 HD3 PRO A 47 0.567 4.035 -13.465 1.00 0.96 H new ATOM 728 N GLY A 48 5.590 3.692 -11.056 1.00 0.70 N ATOM 729 CA GLY A 48 6.639 4.196 -10.169 1.00 0.74 C ATOM 730 C GLY A 48 6.165 4.589 -8.760 1.00 0.71 C ATOM 731 O GLY A 48 7.005 4.875 -7.901 1.00 0.91 O ATOM 0 H GLY A 48 5.607 2.675 -11.138 1.00 0.70 H new ATOM 0 HA2 GLY A 48 7.413 3.434 -10.076 1.00 0.74 H new ATOM 0 HA3 GLY A 48 7.102 5.065 -10.636 1.00 0.74 H new ATOM 735 N GLY A 49 4.854 4.609 -8.501 1.00 0.60 N ATOM 736 CA GLY A 49 4.271 4.895 -7.187 1.00 0.61 C ATOM 737 C GLY A 49 4.381 3.731 -6.194 1.00 0.65 C ATOM 738 O GLY A 49 4.672 2.591 -6.563 1.00 0.98 O ATOM 0 H GLY A 49 4.152 4.422 -9.217 1.00 0.60 H new ATOM 0 HA2 GLY A 49 4.765 5.770 -6.763 1.00 0.61 H new ATOM 0 HA3 GLY A 49 3.220 5.153 -7.315 1.00 0.61 H new ATOM 742 N LYS A 50 4.125 4.020 -4.914 1.00 0.58 N ATOM 743 CA LYS A 50 4.116 3.042 -3.811 1.00 0.63 C ATOM 744 C LYS A 50 2.751 2.961 -3.118 1.00 0.67 C ATOM 745 O LYS A 50 1.998 3.938 -3.102 1.00 0.95 O ATOM 746 CB LYS A 50 5.235 3.351 -2.800 1.00 0.81 C ATOM 747 CG LYS A 50 6.656 3.272 -3.380 1.00 0.93 C ATOM 748 CD LYS A 50 7.201 4.591 -3.952 1.00 1.91 C ATOM 749 CE LYS A 50 8.714 4.470 -4.174 1.00 1.73 C ATOM 750 NZ LYS A 50 9.354 5.787 -4.396 1.00 2.77 N ATOM 0 H LYS A 50 3.912 4.968 -4.603 1.00 0.58 H new ATOM 0 HA LYS A 50 4.306 2.061 -4.247 1.00 0.63 H new ATOM 0 HB2 LYS A 50 5.076 4.351 -2.395 1.00 0.81 H new ATOM 0 HB3 LYS A 50 5.157 2.653 -1.966 1.00 0.81 H new ATOM 0 HG2 LYS A 50 7.332 2.926 -2.598 1.00 0.93 H new ATOM 0 HG3 LYS A 50 6.669 2.519 -4.168 1.00 0.93 H new ATOM 0 HD2 LYS A 50 6.703 4.824 -4.893 1.00 1.91 H new ATOM 0 HD3 LYS A 50 6.988 5.412 -3.267 1.00 1.91 H new ATOM 0 HE2 LYS A 50 9.169 3.988 -3.309 1.00 1.73 H new ATOM 0 HE3 LYS A 50 8.903 3.827 -5.033 1.00 1.73 H new ATOM 0 HZ1 LYS A 50 10.375 5.656 -4.541 1.00 2.77 H new ATOM 0 HZ2 LYS A 50 8.939 6.237 -5.237 1.00 2.77 H new ATOM 0 HZ3 LYS A 50 9.197 6.394 -3.566 1.00 2.77 H new ATOM 764 N PHE A 51 2.437 1.811 -2.521 1.00 0.60 N ATOM 765 CA PHE A 51 1.165 1.586 -1.815 1.00 0.61 C ATOM 766 C PHE A 51 1.159 2.206 -0.393 1.00 0.62 C ATOM 767 O PHE A 51 2.126 2.010 0.348 1.00 0.63 O ATOM 768 CB PHE A 51 0.854 0.080 -1.768 1.00 0.61 C ATOM 769 CG PHE A 51 0.512 -0.531 -3.118 1.00 0.58 C ATOM 770 CD1 PHE A 51 1.529 -1.021 -3.955 1.00 1.51 C ATOM 771 CD2 PHE A 51 -0.829 -0.620 -3.538 1.00 1.73 C ATOM 772 CE1 PHE A 51 1.218 -1.591 -5.201 1.00 1.46 C ATOM 773 CE2 PHE A 51 -1.144 -1.198 -4.783 1.00 1.81 C ATOM 774 CZ PHE A 51 -0.119 -1.680 -5.616 1.00 0.69 C ATOM 0 H PHE A 51 3.058 1.002 -2.511 1.00 0.60 H new ATOM 0 HA PHE A 51 0.379 2.095 -2.373 1.00 0.61 H new ATOM 0 HB2 PHE A 51 1.715 -0.444 -1.353 1.00 0.61 H new ATOM 0 HB3 PHE A 51 0.020 -0.086 -1.086 1.00 0.61 H new ATOM 0 HD1 PHE A 51 2.559 -0.959 -3.637 1.00 1.51 H new ATOM 0 HD2 PHE A 51 -1.618 -0.244 -2.904 1.00 1.73 H new ATOM 0 HE1 PHE A 51 2.008 -1.960 -5.839 1.00 1.46 H new ATOM 0 HE2 PHE A 51 -2.174 -1.271 -5.098 1.00 1.81 H new ATOM 0 HZ PHE A 51 -0.361 -2.118 -6.573 1.00 0.69 H new ATOM 784 N PRO A 52 0.092 2.912 0.041 1.00 0.68 N ATOM 785 CA PRO A 52 0.048 3.570 1.357 1.00 0.69 C ATOM 786 C PRO A 52 -0.445 2.685 2.521 1.00 0.73 C ATOM 787 O PRO A 52 0.027 2.847 3.644 1.00 0.88 O ATOM 788 CB PRO A 52 -0.876 4.778 1.154 1.00 0.85 C ATOM 789 CG PRO A 52 -1.848 4.317 0.070 1.00 0.90 C ATOM 790 CD PRO A 52 -1.001 3.389 -0.799 1.00 0.77 C ATOM 0 HA PRO A 52 1.059 3.835 1.665 1.00 0.69 H new ATOM 0 HB2 PRO A 52 -1.398 5.041 2.074 1.00 0.85 H new ATOM 0 HB3 PRO A 52 -0.318 5.660 0.841 1.00 0.85 H new ATOM 0 HG2 PRO A 52 -2.706 3.796 0.495 1.00 0.90 H new ATOM 0 HG3 PRO A 52 -2.238 5.158 -0.503 1.00 0.90 H new ATOM 0 HD2 PRO A 52 -1.597 2.555 -1.170 1.00 0.77 H new ATOM 0 HD3 PRO A 52 -0.617 3.919 -1.671 1.00 0.77 H new ATOM 798 N VAL A 53 -1.362 1.742 2.270 1.00 0.69 N ATOM 799 CA VAL A 53 -2.029 0.860 3.259 1.00 0.71 C ATOM 800 C VAL A 53 -2.287 -0.516 2.617 1.00 0.71 C ATOM 801 O VAL A 53 -2.046 -0.672 1.418 1.00 0.73 O ATOM 802 CB VAL A 53 -3.330 1.465 3.836 1.00 0.82 C ATOM 803 CG1 VAL A 53 -3.038 2.602 4.822 1.00 0.90 C ATOM 804 CG2 VAL A 53 -4.285 1.985 2.760 1.00 0.89 C ATOM 0 H VAL A 53 -1.682 1.557 1.319 1.00 0.69 H new ATOM 0 HA VAL A 53 -1.358 0.749 4.111 1.00 0.71 H new ATOM 0 HB VAL A 53 -3.817 0.639 4.354 1.00 0.82 H new ATOM 0 HG11 VAL A 53 -3.977 3.001 5.206 1.00 0.90 H new ATOM 0 HG12 VAL A 53 -2.440 2.221 5.650 1.00 0.90 H new ATOM 0 HG13 VAL A 53 -2.489 3.393 4.312 1.00 0.90 H new ATOM 0 HG21 VAL A 53 -5.177 2.396 3.233 1.00 0.89 H new ATOM 0 HG22 VAL A 53 -3.790 2.764 2.180 1.00 0.89 H new ATOM 0 HG23 VAL A 53 -4.569 1.166 2.099 1.00 0.89 H new ATOM 814 N ASP A 54 -2.722 -1.523 3.387 1.00 0.73 N ATOM 815 CA ASP A 54 -3.006 -2.874 2.853 1.00 0.75 C ATOM 816 C ASP A 54 -4.489 -3.056 2.474 1.00 0.78 C ATOM 817 O ASP A 54 -5.373 -2.497 3.135 1.00 0.87 O ATOM 818 CB ASP A 54 -2.434 -3.988 3.758 1.00 0.81 C ATOM 819 CG ASP A 54 -3.391 -4.569 4.804 1.00 1.01 C ATOM 820 OD1 ASP A 54 -4.348 -5.289 4.429 1.00 2.39 O ATOM 821 OD2 ASP A 54 -3.139 -4.406 6.019 1.00 1.65 O ATOM 0 H ASP A 54 -2.888 -1.432 4.389 1.00 0.73 H new ATOM 0 HA ASP A 54 -2.468 -2.973 1.910 1.00 0.75 H new ATOM 0 HB2 ASP A 54 -2.087 -4.802 3.121 1.00 0.81 H new ATOM 0 HB3 ASP A 54 -1.560 -3.594 4.276 1.00 0.81 H new ATOM 826 N GLY A 55 -4.772 -3.812 1.405 1.00 0.74 N ATOM 827 CA GLY A 55 -6.148 -3.971 0.911 1.00 0.78 C ATOM 828 C GLY A 55 -6.307 -4.760 -0.394 1.00 0.69 C ATOM 829 O GLY A 55 -5.389 -5.449 -0.843 1.00 0.67 O ATOM 0 H GLY A 55 -4.071 -4.321 0.867 1.00 0.74 H new ATOM 0 HA2 GLY A 55 -6.736 -4.465 1.685 1.00 0.78 H new ATOM 0 HA3 GLY A 55 -6.578 -2.980 0.768 1.00 0.78 H new ATOM 833 N ARG A 56 -7.490 -4.643 -1.010 1.00 0.73 N ATOM 834 CA ARG A 56 -7.908 -5.318 -2.253 1.00 0.68 C ATOM 835 C ARG A 56 -7.987 -4.357 -3.453 1.00 0.65 C ATOM 836 O ARG A 56 -8.349 -3.190 -3.308 1.00 0.68 O ATOM 837 CB ARG A 56 -9.236 -6.049 -1.972 1.00 0.75 C ATOM 838 CG ARG A 56 -9.728 -6.925 -3.133 1.00 0.87 C ATOM 839 CD ARG A 56 -10.924 -7.777 -2.693 1.00 0.98 C ATOM 840 NE ARG A 56 -11.454 -8.571 -3.811 1.00 2.37 N ATOM 841 CZ ARG A 56 -12.484 -8.292 -4.587 1.00 3.49 C ATOM 842 NH1 ARG A 56 -13.209 -7.215 -4.453 1.00 3.96 N ATOM 843 NH2 ARG A 56 -12.786 -9.113 -5.545 1.00 5.19 N ATOM 0 H ARG A 56 -8.225 -4.042 -0.637 1.00 0.73 H new ATOM 0 HA ARG A 56 -7.153 -6.047 -2.547 1.00 0.68 H new ATOM 0 HB2 ARG A 56 -9.114 -6.673 -1.087 1.00 0.75 H new ATOM 0 HB3 ARG A 56 -10.003 -5.310 -1.738 1.00 0.75 H new ATOM 0 HG2 ARG A 56 -10.013 -6.295 -3.976 1.00 0.87 H new ATOM 0 HG3 ARG A 56 -8.920 -7.571 -3.476 1.00 0.87 H new ATOM 0 HD2 ARG A 56 -10.622 -8.441 -1.883 1.00 0.98 H new ATOM 0 HD3 ARG A 56 -11.708 -7.131 -2.299 1.00 0.98 H new ATOM 0 HE ARG A 56 -10.966 -9.444 -4.011 1.00 2.37 H new ATOM 0 HH11 ARG A 56 -12.989 -6.540 -3.720 1.00 3.96 H new ATOM 0 HH12 ARG A 56 -13.995 -7.048 -5.081 1.00 3.96 H new ATOM 0 HH21 ARG A 56 -12.231 -9.957 -5.688 1.00 5.19 H new ATOM 0 HH22 ARG A 56 -13.579 -8.915 -6.156 1.00 5.19 H new ATOM 857 N VAL A 57 -7.653 -4.869 -4.637 1.00 0.73 N ATOM 858 CA VAL A 57 -7.540 -4.159 -5.924 1.00 0.66 C ATOM 859 C VAL A 57 -8.600 -4.661 -6.906 1.00 0.54 C ATOM 860 O VAL A 57 -8.757 -5.871 -7.063 1.00 0.56 O ATOM 861 CB VAL A 57 -6.133 -4.365 -6.532 1.00 0.68 C ATOM 862 CG1 VAL A 57 -5.939 -3.588 -7.841 1.00 0.78 C ATOM 863 CG2 VAL A 57 -5.031 -3.932 -5.559 1.00 0.97 C ATOM 0 H VAL A 57 -7.438 -5.861 -4.736 1.00 0.73 H new ATOM 0 HA VAL A 57 -7.698 -3.096 -5.741 1.00 0.66 H new ATOM 0 HB VAL A 57 -6.059 -5.433 -6.735 1.00 0.68 H new ATOM 0 HG11 VAL A 57 -4.935 -3.768 -8.225 1.00 0.78 H new ATOM 0 HG12 VAL A 57 -6.673 -3.921 -8.574 1.00 0.78 H new ATOM 0 HG13 VAL A 57 -6.071 -2.522 -7.654 1.00 0.78 H new ATOM 0 HG21 VAL A 57 -4.056 -4.091 -6.020 1.00 0.97 H new ATOM 0 HG22 VAL A 57 -5.151 -2.875 -5.320 1.00 0.97 H new ATOM 0 HG23 VAL A 57 -5.101 -4.521 -4.645 1.00 0.97 H new ATOM 873 N ILE A 58 -9.302 -3.754 -7.596 1.00 0.52 N ATOM 874 CA ILE A 58 -10.375 -4.101 -8.561 1.00 0.58 C ATOM 875 C ILE A 58 -10.371 -3.236 -9.840 1.00 0.58 C ATOM 876 O ILE A 58 -11.418 -2.949 -10.425 1.00 0.67 O ATOM 877 CB ILE A 58 -11.765 -4.118 -7.872 1.00 0.79 C ATOM 878 CG1 ILE A 58 -11.982 -2.837 -7.044 1.00 0.90 C ATOM 879 CG2 ILE A 58 -11.939 -5.374 -7.002 1.00 0.86 C ATOM 880 CD1 ILE A 58 -13.453 -2.596 -6.684 1.00 1.21 C ATOM 0 H ILE A 58 -9.147 -2.750 -7.506 1.00 0.52 H new ATOM 0 HA ILE A 58 -10.155 -5.112 -8.904 1.00 0.58 H new ATOM 0 HB ILE A 58 -12.525 -4.148 -8.653 1.00 0.79 H new ATOM 0 HG12 ILE A 58 -11.395 -2.900 -6.127 1.00 0.90 H new ATOM 0 HG13 ILE A 58 -11.606 -1.981 -7.605 1.00 0.90 H new ATOM 0 HG21 ILE A 58 -12.922 -5.358 -6.532 1.00 0.86 H new ATOM 0 HG22 ILE A 58 -11.849 -6.264 -7.625 1.00 0.86 H new ATOM 0 HG23 ILE A 58 -11.169 -5.392 -6.231 1.00 0.86 H new ATOM 0 HD11 ILE A 58 -13.539 -1.679 -6.101 1.00 1.21 H new ATOM 0 HD12 ILE A 58 -14.040 -2.502 -7.597 1.00 1.21 H new ATOM 0 HD13 ILE A 58 -13.826 -3.435 -6.097 1.00 1.21 H new ATOM 892 N GLU A 59 -9.188 -2.886 -10.345 1.00 0.55 N ATOM 893 CA GLU A 59 -8.995 -2.283 -11.672 1.00 0.63 C ATOM 894 C GLU A 59 -7.516 -2.348 -12.072 1.00 0.64 C ATOM 895 O GLU A 59 -6.650 -2.008 -11.262 1.00 0.66 O ATOM 896 CB GLU A 59 -9.418 -0.801 -11.669 1.00 0.70 C ATOM 897 CG GLU A 59 -9.484 -0.134 -13.048 1.00 1.24 C ATOM 898 CD GLU A 59 -10.699 -0.569 -13.869 1.00 1.40 C ATOM 899 OE1 GLU A 59 -10.722 -1.713 -14.383 1.00 2.37 O ATOM 900 OE2 GLU A 59 -11.641 0.243 -14.043 1.00 2.37 O ATOM 0 H GLU A 59 -8.315 -3.015 -9.834 1.00 0.55 H new ATOM 0 HA GLU A 59 -9.608 -2.842 -12.379 1.00 0.63 H new ATOM 0 HB2 GLU A 59 -10.398 -0.721 -11.198 1.00 0.70 H new ATOM 0 HB3 GLU A 59 -8.719 -0.242 -11.047 1.00 0.70 H new ATOM 0 HG2 GLU A 59 -9.508 0.948 -12.920 1.00 1.24 H new ATOM 0 HG3 GLU A 59 -8.576 -0.369 -13.602 1.00 1.24 H new ATOM 907 N GLY A 60 -7.249 -2.712 -13.326 1.00 0.64 N ATOM 908 CA GLY A 60 -5.940 -2.608 -13.964 1.00 0.65 C ATOM 909 C GLY A 60 -4.977 -3.770 -13.712 1.00 0.66 C ATOM 910 O GLY A 60 -5.314 -4.787 -13.110 1.00 0.76 O ATOM 0 H GLY A 60 -7.962 -3.100 -13.944 1.00 0.64 H new ATOM 0 HA2 GLY A 60 -6.089 -2.512 -15.040 1.00 0.65 H new ATOM 0 HA3 GLY A 60 -5.464 -1.688 -13.625 1.00 0.65 H new ATOM 914 N HIS A 61 -3.751 -3.597 -14.205 1.00 0.63 N ATOM 915 CA HIS A 61 -2.727 -4.645 -14.258 1.00 0.67 C ATOM 916 C HIS A 61 -1.305 -4.074 -14.148 1.00 0.67 C ATOM 917 O HIS A 61 -0.803 -3.385 -15.043 1.00 1.02 O ATOM 918 CB HIS A 61 -2.922 -5.534 -15.502 1.00 0.79 C ATOM 919 CG HIS A 61 -3.285 -4.821 -16.784 1.00 0.94 C ATOM 920 ND1 HIS A 61 -4.563 -4.570 -17.236 1.00 1.86 N ATOM 921 CD2 HIS A 61 -2.423 -4.355 -17.741 1.00 1.57 C ATOM 922 CE1 HIS A 61 -4.476 -3.950 -18.424 1.00 1.99 C ATOM 923 NE2 HIS A 61 -3.187 -3.803 -18.780 1.00 1.69 N ATOM 0 H HIS A 61 -3.433 -2.706 -14.587 1.00 0.63 H new ATOM 0 HA HIS A 61 -2.853 -5.283 -13.383 1.00 0.67 H new ATOM 0 HB2 HIS A 61 -2.002 -6.093 -15.670 1.00 0.79 H new ATOM 0 HB3 HIS A 61 -3.702 -6.263 -15.283 1.00 0.79 H new ATOM 0 HD2 HIS A 61 -1.345 -4.404 -17.702 1.00 1.57 H new ATOM 0 HE1 HIS A 61 -5.320 -3.617 -19.010 1.00 1.99 H new ATOM 0 HE2 HIS A 61 -2.835 -3.375 -19.636 1.00 1.69 H new ATOM 931 N SER A 62 -0.646 -4.377 -13.026 1.00 0.55 N ATOM 932 CA SER A 62 0.731 -3.967 -12.743 1.00 0.54 C ATOM 933 C SER A 62 1.534 -5.047 -12.027 1.00 0.53 C ATOM 934 O SER A 62 0.979 -5.874 -11.305 1.00 0.69 O ATOM 935 CB SER A 62 0.771 -2.664 -11.934 1.00 0.60 C ATOM 936 OG SER A 62 1.529 -1.678 -12.599 1.00 1.25 O ATOM 0 H SER A 62 -1.064 -4.925 -12.274 1.00 0.55 H new ATOM 0 HA SER A 62 1.199 -3.799 -13.713 1.00 0.54 H new ATOM 0 HB2 SER A 62 -0.244 -2.300 -11.773 1.00 0.60 H new ATOM 0 HB3 SER A 62 1.200 -2.856 -10.951 1.00 0.60 H new ATOM 0 HG SER A 62 1.060 -0.819 -12.553 1.00 1.25 H new ATOM 942 N MET A 63 2.857 -4.998 -12.185 1.00 0.54 N ATOM 943 CA MET A 63 3.807 -5.882 -11.516 1.00 0.56 C ATOM 944 C MET A 63 4.498 -5.107 -10.383 1.00 0.60 C ATOM 945 O MET A 63 4.991 -3.991 -10.580 1.00 0.78 O ATOM 946 CB MET A 63 4.731 -6.484 -12.583 1.00 0.65 C ATOM 947 CG MET A 63 5.808 -7.394 -11.998 1.00 0.71 C ATOM 948 SD MET A 63 6.524 -8.585 -13.163 1.00 0.84 S ATOM 949 CE MET A 63 5.231 -9.855 -13.178 1.00 0.78 C ATOM 0 H MET A 63 3.309 -4.322 -12.800 1.00 0.54 H new ATOM 0 HA MET A 63 3.333 -6.731 -11.023 1.00 0.56 H new ATOM 0 HB2 MET A 63 4.132 -7.051 -13.295 1.00 0.65 H new ATOM 0 HB3 MET A 63 5.208 -5.677 -13.139 1.00 0.65 H new ATOM 0 HG2 MET A 63 6.610 -6.772 -11.599 1.00 0.71 H new ATOM 0 HG3 MET A 63 5.382 -7.942 -11.158 1.00 0.71 H new ATOM 0 HE1 MET A 63 5.560 -10.702 -13.780 1.00 0.78 H new ATOM 0 HE2 MET A 63 5.037 -10.189 -12.159 1.00 0.78 H new ATOM 0 HE3 MET A 63 4.318 -9.439 -13.604 1.00 0.78 H new ATOM 959 N VAL A 64 4.495 -5.692 -9.185 1.00 0.52 N ATOM 960 CA VAL A 64 4.837 -5.041 -7.912 1.00 0.53 C ATOM 961 C VAL A 64 6.085 -5.633 -7.249 1.00 0.58 C ATOM 962 O VAL A 64 6.227 -6.850 -7.166 1.00 0.62 O ATOM 963 CB VAL A 64 3.613 -5.103 -6.968 1.00 0.54 C ATOM 964 CG1 VAL A 64 3.885 -4.469 -5.601 1.00 0.59 C ATOM 965 CG2 VAL A 64 2.401 -4.381 -7.579 1.00 0.52 C ATOM 0 H VAL A 64 4.244 -6.674 -9.066 1.00 0.52 H new ATOM 0 HA VAL A 64 5.087 -4.001 -8.124 1.00 0.53 H new ATOM 0 HB VAL A 64 3.406 -6.165 -6.836 1.00 0.54 H new ATOM 0 HG11 VAL A 64 2.991 -4.542 -4.982 1.00 0.59 H new ATOM 0 HG12 VAL A 64 4.707 -4.993 -5.114 1.00 0.59 H new ATOM 0 HG13 VAL A 64 4.151 -3.420 -5.733 1.00 0.59 H new ATOM 0 HG21 VAL A 64 1.557 -4.442 -6.892 1.00 0.52 H new ATOM 0 HG22 VAL A 64 2.651 -3.335 -7.754 1.00 0.52 H new ATOM 0 HG23 VAL A 64 2.134 -4.854 -8.524 1.00 0.52 H new ATOM 975 N ASP A 65 6.982 -4.790 -6.724 1.00 0.63 N ATOM 976 CA ASP A 65 8.160 -5.236 -5.965 1.00 0.63 C ATOM 977 C ASP A 65 7.861 -5.329 -4.456 1.00 0.62 C ATOM 978 O ASP A 65 7.855 -4.326 -3.736 1.00 0.72 O ATOM 979 CB ASP A 65 9.378 -4.346 -6.270 1.00 0.71 C ATOM 980 CG ASP A 65 10.660 -4.882 -5.615 1.00 0.76 C ATOM 981 OD1 ASP A 65 10.811 -6.128 -5.545 1.00 1.98 O ATOM 982 OD2 ASP A 65 11.511 -4.060 -5.191 1.00 1.78 O ATOM 0 H ASP A 65 6.913 -3.776 -6.813 1.00 0.63 H new ATOM 0 HA ASP A 65 8.410 -6.246 -6.291 1.00 0.63 H new ATOM 0 HB2 ASP A 65 9.521 -4.284 -7.349 1.00 0.71 H new ATOM 0 HB3 ASP A 65 9.185 -3.334 -5.915 1.00 0.71 H new ATOM 987 N GLU A 66 7.618 -6.551 -3.975 1.00 0.62 N ATOM 988 CA GLU A 66 7.329 -6.870 -2.565 1.00 0.66 C ATOM 989 C GLU A 66 8.577 -7.272 -1.743 1.00 0.69 C ATOM 990 O GLU A 66 8.443 -7.668 -0.584 1.00 0.77 O ATOM 991 CB GLU A 66 6.291 -8.003 -2.476 1.00 0.95 C ATOM 992 CG GLU A 66 5.007 -7.840 -3.301 1.00 0.81 C ATOM 993 CD GLU A 66 3.976 -8.941 -2.987 1.00 0.88 C ATOM 994 OE1 GLU A 66 4.316 -10.016 -2.433 1.00 2.05 O ATOM 995 OE2 GLU A 66 2.777 -8.736 -3.286 1.00 1.99 O ATOM 0 H GLU A 66 7.616 -7.377 -4.573 1.00 0.62 H new ATOM 0 HA GLU A 66 6.941 -5.949 -2.131 1.00 0.66 H new ATOM 0 HB2 GLU A 66 6.775 -8.930 -2.783 1.00 0.95 H new ATOM 0 HB3 GLU A 66 6.008 -8.122 -1.430 1.00 0.95 H new ATOM 0 HG2 GLU A 66 4.567 -6.863 -3.099 1.00 0.81 H new ATOM 0 HG3 GLU A 66 5.252 -7.865 -4.363 1.00 0.81 H new ATOM 1002 N SER A 67 9.776 -7.200 -2.337 1.00 0.76 N ATOM 1003 CA SER A 67 11.062 -7.725 -1.847 1.00 0.95 C ATOM 1004 C SER A 67 11.336 -7.593 -0.346 1.00 0.83 C ATOM 1005 O SER A 67 11.770 -8.565 0.274 1.00 0.86 O ATOM 1006 CB SER A 67 12.183 -7.023 -2.620 1.00 1.26 C ATOM 1007 OG SER A 67 13.451 -7.552 -2.297 1.00 1.90 O ATOM 0 H SER A 67 9.882 -6.739 -3.241 1.00 0.76 H new ATOM 0 HA SER A 67 11.017 -8.801 -2.018 1.00 0.95 H new ATOM 0 HB2 SER A 67 12.007 -7.127 -3.691 1.00 1.26 H new ATOM 0 HB3 SER A 67 12.166 -5.956 -2.397 1.00 1.26 H new ATOM 0 HG SER A 67 14.142 -7.082 -2.809 1.00 1.90 H new ATOM 1013 N LEU A 68 11.080 -6.432 0.259 1.00 0.88 N ATOM 1014 CA LEU A 68 11.328 -6.203 1.690 1.00 0.90 C ATOM 1015 C LEU A 68 10.175 -6.727 2.564 1.00 0.89 C ATOM 1016 O LEU A 68 10.416 -7.209 3.672 1.00 0.99 O ATOM 1017 CB LEU A 68 11.605 -4.686 1.844 1.00 0.92 C ATOM 1018 CG LEU A 68 11.961 -4.064 3.214 1.00 0.92 C ATOM 1019 CD1 LEU A 68 10.773 -3.897 4.162 1.00 1.09 C ATOM 1020 CD2 LEU A 68 13.082 -4.793 3.949 1.00 0.81 C ATOM 0 H LEU A 68 10.695 -5.622 -0.226 1.00 0.88 H new ATOM 0 HA LEU A 68 12.190 -6.766 2.047 1.00 0.90 H new ATOM 0 HB2 LEU A 68 12.421 -4.443 1.164 1.00 0.92 H new ATOM 0 HB3 LEU A 68 10.720 -4.164 1.480 1.00 0.92 H new ATOM 0 HG LEU A 68 12.312 -3.070 2.936 1.00 0.92 H new ATOM 0 HD11 LEU A 68 11.114 -3.454 5.098 1.00 1.09 H new ATOM 0 HD12 LEU A 68 10.029 -3.246 3.702 1.00 1.09 H new ATOM 0 HD13 LEU A 68 10.328 -4.872 4.363 1.00 1.09 H new ATOM 0 HD21 LEU A 68 13.275 -4.298 4.901 1.00 0.81 H new ATOM 0 HD22 LEU A 68 12.786 -5.826 4.130 1.00 0.81 H new ATOM 0 HD23 LEU A 68 13.987 -4.776 3.341 1.00 0.81 H new ATOM 1032 N ILE A 69 8.943 -6.685 2.050 1.00 0.87 N ATOM 1033 CA ILE A 69 7.699 -6.977 2.775 1.00 0.91 C ATOM 1034 C ILE A 69 7.466 -8.491 2.915 1.00 0.96 C ATOM 1035 O ILE A 69 7.347 -9.012 4.026 1.00 1.02 O ATOM 1036 CB ILE A 69 6.487 -6.307 2.071 1.00 0.97 C ATOM 1037 CG1 ILE A 69 6.712 -4.858 1.571 1.00 1.05 C ATOM 1038 CG2 ILE A 69 5.271 -6.377 3.009 1.00 1.02 C ATOM 1039 CD1 ILE A 69 6.848 -3.806 2.673 1.00 1.07 C ATOM 0 H ILE A 69 8.776 -6.436 1.075 1.00 0.87 H new ATOM 0 HA ILE A 69 7.799 -6.562 3.778 1.00 0.91 H new ATOM 0 HB ILE A 69 6.321 -6.874 1.155 1.00 0.97 H new ATOM 0 HG12 ILE A 69 7.613 -4.838 0.957 1.00 1.05 H new ATOM 0 HG13 ILE A 69 5.879 -4.580 0.925 1.00 1.05 H new ATOM 0 HG21 ILE A 69 4.412 -5.910 2.527 1.00 1.02 H new ATOM 0 HG22 ILE A 69 5.041 -7.419 3.229 1.00 1.02 H new ATOM 0 HG23 ILE A 69 5.497 -5.851 3.937 1.00 1.02 H new ATOM 0 HD11 ILE A 69 7.002 -2.825 2.223 1.00 1.07 H new ATOM 0 HD12 ILE A 69 5.939 -3.790 3.275 1.00 1.07 H new ATOM 0 HD13 ILE A 69 7.699 -4.052 3.308 1.00 1.07 H new ATOM 1051 N THR A 70 7.400 -9.203 1.786 1.00 0.98 N ATOM 1052 CA THR A 70 7.089 -10.646 1.717 1.00 1.03 C ATOM 1053 C THR A 70 8.330 -11.517 1.487 1.00 1.08 C ATOM 1054 O THR A 70 8.247 -12.748 1.538 1.00 1.21 O ATOM 1055 CB THR A 70 6.025 -10.923 0.643 1.00 0.99 C ATOM 1056 OG1 THR A 70 6.492 -10.459 -0.596 1.00 1.22 O ATOM 1057 CG2 THR A 70 4.702 -10.215 0.939 1.00 1.13 C ATOM 0 H THR A 70 7.564 -8.788 0.869 1.00 0.98 H new ATOM 0 HA THR A 70 6.691 -10.924 2.693 1.00 1.03 H new ATOM 0 HB THR A 70 5.848 -11.999 0.633 1.00 0.99 H new ATOM 0 HG1 THR A 70 5.732 -10.303 -1.195 1.00 1.22 H new ATOM 0 HG21 THR A 70 3.984 -10.442 0.151 1.00 1.13 H new ATOM 0 HG22 THR A 70 4.312 -10.559 1.897 1.00 1.13 H new ATOM 0 HG23 THR A 70 4.867 -9.138 0.980 1.00 1.13 H new ATOM 1065 N GLY A 71 9.489 -10.883 1.267 1.00 1.02 N ATOM 1066 CA GLY A 71 10.799 -11.528 1.133 1.00 1.06 C ATOM 1067 C GLY A 71 11.000 -12.262 -0.204 1.00 1.04 C ATOM 1068 O GLY A 71 11.828 -13.170 -0.291 1.00 1.15 O ATOM 0 H GLY A 71 9.541 -9.869 1.174 1.00 1.02 H new ATOM 0 HA2 GLY A 71 11.577 -10.773 1.242 1.00 1.06 H new ATOM 0 HA3 GLY A 71 10.928 -12.239 1.949 1.00 1.06 H new ATOM 1072 N GLU A 72 10.192 -11.937 -1.219 1.00 1.02 N ATOM 1073 CA GLU A 72 10.224 -12.598 -2.536 1.00 0.99 C ATOM 1074 C GLU A 72 11.530 -12.305 -3.298 1.00 1.15 C ATOM 1075 O GLU A 72 12.212 -13.244 -3.707 1.00 2.42 O ATOM 1076 CB GLU A 72 8.999 -12.207 -3.381 1.00 1.07 C ATOM 1077 CG GLU A 72 7.683 -12.804 -2.865 1.00 1.01 C ATOM 1078 CD GLU A 72 7.622 -14.326 -3.032 1.00 1.20 C ATOM 1079 OE1 GLU A 72 7.368 -14.824 -4.154 1.00 2.26 O ATOM 1080 OE2 GLU A 72 7.847 -15.070 -2.044 1.00 1.84 O ATOM 0 H GLU A 72 9.489 -11.201 -1.153 1.00 1.02 H new ATOM 0 HA GLU A 72 10.188 -13.672 -2.355 1.00 0.99 H new ATOM 0 HB2 GLU A 72 8.913 -11.121 -3.400 1.00 1.07 H new ATOM 0 HB3 GLU A 72 9.158 -12.533 -4.409 1.00 1.07 H new ATOM 0 HG2 GLU A 72 7.563 -12.553 -1.811 1.00 1.01 H new ATOM 0 HG3 GLU A 72 6.848 -12.350 -3.399 1.00 1.01 H new ATOM 1087 N ALA A 73 11.883 -11.022 -3.459 1.00 1.29 N ATOM 1088 CA ALA A 73 13.059 -10.523 -4.196 1.00 1.35 C ATOM 1089 C ALA A 73 13.003 -10.845 -5.704 1.00 1.09 C ATOM 1090 O ALA A 73 14.018 -11.020 -6.391 1.00 1.20 O ATOM 1091 CB ALA A 73 14.358 -10.891 -3.465 1.00 1.85 C ATOM 0 H ALA A 73 11.330 -10.264 -3.060 1.00 1.29 H new ATOM 0 HA ALA A 73 13.042 -9.433 -4.194 1.00 1.35 H new ATOM 0 HB1 ALA A 73 15.212 -10.513 -4.027 1.00 1.85 H new ATOM 0 HB2 ALA A 73 14.354 -10.447 -2.469 1.00 1.85 H new ATOM 0 HB3 ALA A 73 14.432 -11.975 -3.379 1.00 1.85 H new ATOM 1097 N MET A 74 11.766 -10.926 -6.192 1.00 1.10 N ATOM 1098 CA MET A 74 11.306 -11.140 -7.557 1.00 0.94 C ATOM 1099 C MET A 74 9.868 -10.591 -7.625 1.00 0.75 C ATOM 1100 O MET A 74 9.063 -10.916 -6.745 1.00 0.79 O ATOM 1101 CB MET A 74 11.373 -12.632 -7.926 1.00 1.13 C ATOM 1102 CG MET A 74 10.829 -13.614 -6.877 1.00 2.13 C ATOM 1103 SD MET A 74 11.011 -15.369 -7.294 1.00 2.69 S ATOM 1104 CE MET A 74 12.801 -15.564 -7.060 1.00 4.10 C ATOM 0 H MET A 74 10.970 -10.831 -5.561 1.00 1.10 H new ATOM 0 HA MET A 74 11.940 -10.625 -8.279 1.00 0.94 H new ATOM 0 HB2 MET A 74 10.821 -12.781 -8.854 1.00 1.13 H new ATOM 0 HB3 MET A 74 12.413 -12.889 -8.129 1.00 1.13 H new ATOM 0 HG2 MET A 74 11.337 -13.427 -5.931 1.00 2.13 H new ATOM 0 HG3 MET A 74 9.771 -13.402 -6.719 1.00 2.13 H new ATOM 0 HE1 MET A 74 13.063 -16.620 -7.119 1.00 4.10 H new ATOM 0 HE2 MET A 74 13.332 -15.015 -7.838 1.00 4.10 H new ATOM 0 HE3 MET A 74 13.085 -15.174 -6.082 1.00 4.10 H new ATOM 1114 N PRO A 75 9.510 -9.725 -8.588 1.00 0.76 N ATOM 1115 CA PRO A 75 8.247 -8.987 -8.538 1.00 0.75 C ATOM 1116 C PRO A 75 7.002 -9.849 -8.829 1.00 0.66 C ATOM 1117 O PRO A 75 7.092 -10.917 -9.443 1.00 0.69 O ATOM 1118 CB PRO A 75 8.443 -7.816 -9.497 1.00 0.99 C ATOM 1119 CG PRO A 75 9.381 -8.395 -10.555 1.00 1.32 C ATOM 1120 CD PRO A 75 10.308 -9.284 -9.724 1.00 0.99 C ATOM 0 HA PRO A 75 8.029 -8.636 -7.529 1.00 0.75 H new ATOM 0 HB2 PRO A 75 7.499 -7.487 -9.931 1.00 0.99 H new ATOM 0 HB3 PRO A 75 8.882 -6.953 -8.997 1.00 0.99 H new ATOM 0 HG2 PRO A 75 8.839 -8.966 -11.309 1.00 1.32 H new ATOM 0 HG3 PRO A 75 9.931 -7.614 -11.081 1.00 1.32 H new ATOM 0 HD2 PRO A 75 10.663 -10.134 -10.307 1.00 0.99 H new ATOM 0 HD3 PRO A 75 11.189 -8.733 -9.394 1.00 0.99 H new ATOM 1128 N VAL A 76 5.848 -9.382 -8.344 1.00 0.62 N ATOM 1129 CA VAL A 76 4.561 -10.101 -8.269 1.00 0.59 C ATOM 1130 C VAL A 76 3.471 -9.376 -9.066 1.00 0.55 C ATOM 1131 O VAL A 76 3.252 -8.181 -8.878 1.00 0.55 O ATOM 1132 CB VAL A 76 4.111 -10.249 -6.795 1.00 0.63 C ATOM 1133 CG1 VAL A 76 2.869 -11.141 -6.670 1.00 0.70 C ATOM 1134 CG2 VAL A 76 5.210 -10.848 -5.909 1.00 0.70 C ATOM 0 H VAL A 76 5.777 -8.436 -7.969 1.00 0.62 H new ATOM 0 HA VAL A 76 4.710 -11.089 -8.705 1.00 0.59 H new ATOM 0 HB VAL A 76 3.883 -9.238 -6.457 1.00 0.63 H new ATOM 0 HG11 VAL A 76 2.583 -11.221 -5.621 1.00 0.70 H new ATOM 0 HG12 VAL A 76 2.048 -10.703 -7.238 1.00 0.70 H new ATOM 0 HG13 VAL A 76 3.093 -12.133 -7.062 1.00 0.70 H new ATOM 0 HG21 VAL A 76 4.846 -10.932 -4.885 1.00 0.70 H new ATOM 0 HG22 VAL A 76 5.478 -11.837 -6.281 1.00 0.70 H new ATOM 0 HG23 VAL A 76 6.087 -10.202 -5.931 1.00 0.70 H new ATOM 1144 N ALA A 77 2.755 -10.082 -9.937 1.00 0.58 N ATOM 1145 CA ALA A 77 1.696 -9.513 -10.771 1.00 0.57 C ATOM 1146 C ALA A 77 0.366 -9.333 -10.009 1.00 0.52 C ATOM 1147 O ALA A 77 -0.102 -10.254 -9.330 1.00 0.58 O ATOM 1148 CB ALA A 77 1.527 -10.400 -12.006 1.00 0.66 C ATOM 0 H ALA A 77 2.895 -11.081 -10.087 1.00 0.58 H new ATOM 0 HA ALA A 77 1.989 -8.508 -11.074 1.00 0.57 H new ATOM 0 HB1 ALA A 77 0.741 -9.993 -12.642 1.00 0.66 H new ATOM 0 HB2 ALA A 77 2.464 -10.431 -12.562 1.00 0.66 H new ATOM 0 HB3 ALA A 77 1.256 -11.409 -11.695 1.00 0.66 H new ATOM 1154 N LYS A 78 -0.277 -8.169 -10.168 1.00 0.52 N ATOM 1155 CA LYS A 78 -1.590 -7.810 -9.595 1.00 0.52 C ATOM 1156 C LYS A 78 -2.598 -7.473 -10.706 1.00 0.61 C ATOM 1157 O LYS A 78 -2.204 -7.000 -11.775 1.00 0.74 O ATOM 1158 CB LYS A 78 -1.439 -6.652 -8.587 1.00 0.57 C ATOM 1159 CG LYS A 78 -0.375 -6.861 -7.491 1.00 0.58 C ATOM 1160 CD LYS A 78 -0.675 -8.001 -6.504 1.00 0.57 C ATOM 1161 CE LYS A 78 0.518 -8.203 -5.561 1.00 0.67 C ATOM 1162 NZ LYS A 78 0.200 -9.118 -4.441 1.00 0.74 N ATOM 0 H LYS A 78 0.119 -7.413 -10.726 1.00 0.52 H new ATOM 0 HA LYS A 78 -1.982 -8.671 -9.054 1.00 0.52 H new ATOM 0 HB2 LYS A 78 -1.195 -5.744 -9.138 1.00 0.57 H new ATOM 0 HB3 LYS A 78 -2.403 -6.484 -8.106 1.00 0.57 H new ATOM 0 HG2 LYS A 78 0.584 -7.058 -7.970 1.00 0.58 H new ATOM 0 HG3 LYS A 78 -0.266 -5.933 -6.929 1.00 0.58 H new ATOM 0 HD2 LYS A 78 -1.570 -7.768 -5.927 1.00 0.57 H new ATOM 0 HD3 LYS A 78 -0.878 -8.922 -7.050 1.00 0.57 H new ATOM 0 HE2 LYS A 78 1.361 -8.602 -6.125 1.00 0.67 H new ATOM 0 HE3 LYS A 78 0.830 -7.238 -5.162 1.00 0.67 H new ATOM 0 HZ1 LYS A 78 0.993 -9.131 -3.768 1.00 0.74 H new ATOM 0 HZ2 LYS A 78 -0.660 -8.789 -3.957 1.00 0.74 H new ATOM 0 HZ3 LYS A 78 0.043 -10.077 -4.810 1.00 0.74 H new ATOM 1176 N LYS A 79 -3.887 -7.707 -10.438 1.00 0.59 N ATOM 1177 CA LYS A 79 -5.030 -7.692 -11.382 1.00 0.62 C ATOM 1178 C LYS A 79 -6.337 -7.254 -10.682 1.00 0.57 C ATOM 1179 O LYS A 79 -6.318 -7.122 -9.455 1.00 0.56 O ATOM 1180 CB LYS A 79 -5.160 -9.122 -11.960 1.00 0.76 C ATOM 1181 CG LYS A 79 -5.522 -10.190 -10.911 1.00 2.03 C ATOM 1182 CD LYS A 79 -5.538 -11.610 -11.487 1.00 2.22 C ATOM 1183 CE LYS A 79 -6.677 -11.882 -12.466 1.00 2.13 C ATOM 1184 NZ LYS A 79 -6.582 -13.258 -13.005 1.00 2.40 N ATOM 0 H LYS A 79 -4.190 -7.929 -9.490 1.00 0.59 H new ATOM 0 HA LYS A 79 -4.854 -6.969 -12.178 1.00 0.62 H new ATOM 0 HB2 LYS A 79 -5.922 -9.120 -12.740 1.00 0.76 H new ATOM 0 HB3 LYS A 79 -4.219 -9.398 -12.435 1.00 0.76 H new ATOM 0 HG2 LYS A 79 -4.806 -10.144 -10.091 1.00 2.03 H new ATOM 0 HG3 LYS A 79 -6.502 -9.962 -10.491 1.00 2.03 H new ATOM 0 HD2 LYS A 79 -4.590 -11.795 -11.992 1.00 2.22 H new ATOM 0 HD3 LYS A 79 -5.605 -12.322 -10.664 1.00 2.22 H new ATOM 0 HE2 LYS A 79 -7.635 -11.747 -11.964 1.00 2.13 H new ATOM 0 HE3 LYS A 79 -6.641 -11.162 -13.283 1.00 2.13 H new ATOM 0 HZ1 LYS A 79 -7.365 -13.426 -13.669 1.00 2.40 H new ATOM 0 HZ2 LYS A 79 -5.676 -13.375 -13.502 1.00 2.40 H new ATOM 0 HZ3 LYS A 79 -6.639 -13.942 -12.223 1.00 2.40 H new ATOM 1198 N PRO A 80 -7.487 -7.064 -11.365 1.00 0.60 N ATOM 1199 CA PRO A 80 -8.767 -6.915 -10.670 1.00 0.63 C ATOM 1200 C PRO A 80 -9.129 -8.211 -9.916 1.00 0.68 C ATOM 1201 O PRO A 80 -9.103 -9.307 -10.481 1.00 0.84 O ATOM 1202 CB PRO A 80 -9.789 -6.546 -11.750 1.00 0.74 C ATOM 1203 CG PRO A 80 -9.188 -7.143 -13.022 1.00 0.78 C ATOM 1204 CD PRO A 80 -7.695 -6.926 -12.801 1.00 0.69 C ATOM 0 HA PRO A 80 -8.737 -6.139 -9.905 1.00 0.63 H new ATOM 0 HB2 PRO A 80 -10.772 -6.966 -11.534 1.00 0.74 H new ATOM 0 HB3 PRO A 80 -9.915 -5.466 -11.833 1.00 0.74 H new ATOM 0 HG2 PRO A 80 -9.435 -8.199 -13.133 1.00 0.78 H new ATOM 0 HG3 PRO A 80 -9.545 -6.636 -13.919 1.00 0.78 H new ATOM 0 HD2 PRO A 80 -7.106 -7.658 -13.354 1.00 0.69 H new ATOM 0 HD3 PRO A 80 -7.387 -5.940 -13.149 1.00 0.69 H new ATOM 1212 N GLY A 81 -9.474 -8.085 -8.633 1.00 0.66 N ATOM 1213 CA GLY A 81 -9.613 -9.204 -7.694 1.00 0.72 C ATOM 1214 C GLY A 81 -8.250 -9.717 -7.208 1.00 0.74 C ATOM 1215 O GLY A 81 -7.988 -10.923 -7.233 1.00 1.10 O ATOM 0 H GLY A 81 -9.670 -7.180 -8.206 1.00 0.66 H new ATOM 0 HA2 GLY A 81 -10.208 -8.887 -6.837 1.00 0.72 H new ATOM 0 HA3 GLY A 81 -10.156 -10.017 -8.176 1.00 0.72 H new ATOM 1219 N SER A 82 -7.366 -8.795 -6.813 1.00 0.58 N ATOM 1220 CA SER A 82 -6.026 -9.071 -6.256 1.00 0.53 C ATOM 1221 C SER A 82 -5.827 -8.371 -4.907 1.00 0.53 C ATOM 1222 O SER A 82 -6.543 -7.418 -4.602 1.00 0.66 O ATOM 1223 CB SER A 82 -4.969 -8.624 -7.262 1.00 0.53 C ATOM 1224 OG SER A 82 -3.682 -9.088 -6.931 1.00 1.33 O ATOM 0 H SER A 82 -7.566 -7.797 -6.872 1.00 0.58 H new ATOM 0 HA SER A 82 -5.929 -10.142 -6.077 1.00 0.53 H new ATOM 0 HB2 SER A 82 -5.239 -8.987 -8.254 1.00 0.53 H new ATOM 0 HB3 SER A 82 -4.958 -7.535 -7.313 1.00 0.53 H new ATOM 0 HG SER A 82 -3.340 -9.651 -7.657 1.00 1.33 H new ATOM 1230 N THR A 83 -4.872 -8.804 -4.079 1.00 0.54 N ATOM 1231 CA THR A 83 -4.600 -8.228 -2.746 1.00 0.59 C ATOM 1232 C THR A 83 -3.165 -7.705 -2.634 1.00 0.59 C ATOM 1233 O THR A 83 -2.245 -8.237 -3.258 1.00 0.61 O ATOM 1234 CB THR A 83 -4.936 -9.209 -1.605 1.00 0.77 C ATOM 1235 OG1 THR A 83 -4.304 -10.466 -1.761 1.00 0.93 O ATOM 1236 CG2 THR A 83 -6.438 -9.485 -1.533 1.00 0.86 C ATOM 0 H THR A 83 -4.251 -9.578 -4.315 1.00 0.54 H new ATOM 0 HA THR A 83 -5.268 -7.374 -2.635 1.00 0.59 H new ATOM 0 HB THR A 83 -4.577 -8.721 -0.699 1.00 0.77 H new ATOM 0 HG1 THR A 83 -4.547 -11.050 -1.012 1.00 0.93 H new ATOM 0 HG21 THR A 83 -6.642 -10.180 -0.718 1.00 0.86 H new ATOM 0 HG22 THR A 83 -6.971 -8.551 -1.355 1.00 0.86 H new ATOM 0 HG23 THR A 83 -6.773 -9.921 -2.474 1.00 0.86 H new ATOM 1244 N VAL A 84 -2.983 -6.622 -1.872 1.00 0.59 N ATOM 1245 CA VAL A 84 -1.727 -5.858 -1.773 1.00 0.59 C ATOM 1246 C VAL A 84 -1.368 -5.483 -0.332 1.00 0.66 C ATOM 1247 O VAL A 84 -2.242 -5.346 0.530 1.00 0.67 O ATOM 1248 CB VAL A 84 -1.743 -4.594 -2.662 1.00 0.58 C ATOM 1249 CG1 VAL A 84 -1.743 -4.971 -4.149 1.00 0.59 C ATOM 1250 CG2 VAL A 84 -2.926 -3.658 -2.378 1.00 0.61 C ATOM 0 H VAL A 84 -3.726 -6.238 -1.288 1.00 0.59 H new ATOM 0 HA VAL A 84 -0.951 -6.530 -2.141 1.00 0.59 H new ATOM 0 HB VAL A 84 -0.832 -4.050 -2.412 1.00 0.58 H new ATOM 0 HG11 VAL A 84 -1.754 -4.065 -4.754 1.00 0.59 H new ATOM 0 HG12 VAL A 84 -0.848 -5.549 -4.378 1.00 0.59 H new ATOM 0 HG13 VAL A 84 -2.627 -5.568 -4.373 1.00 0.59 H new ATOM 0 HG21 VAL A 84 -2.872 -2.793 -3.039 1.00 0.61 H new ATOM 0 HG22 VAL A 84 -3.861 -4.190 -2.553 1.00 0.61 H new ATOM 0 HG23 VAL A 84 -2.886 -3.325 -1.341 1.00 0.61 H new ATOM 1260 N ILE A 85 -0.071 -5.274 -0.092 1.00 0.72 N ATOM 1261 CA ILE A 85 0.514 -4.706 1.134 1.00 0.71 C ATOM 1262 C ILE A 85 1.193 -3.351 0.888 1.00 0.74 C ATOM 1263 O ILE A 85 1.775 -3.089 -0.170 1.00 1.02 O ATOM 1264 CB ILE A 85 1.491 -5.670 1.858 1.00 0.72 C ATOM 1265 CG1 ILE A 85 2.218 -6.714 0.984 1.00 1.03 C ATOM 1266 CG2 ILE A 85 0.766 -6.402 2.992 1.00 0.85 C ATOM 1267 CD1 ILE A 85 3.035 -6.111 -0.164 1.00 0.72 C ATOM 0 H ILE A 85 0.642 -5.508 -0.783 1.00 0.72 H new ATOM 0 HA ILE A 85 -0.336 -4.549 1.798 1.00 0.71 H new ATOM 0 HB ILE A 85 2.276 -5.008 2.222 1.00 0.72 H new ATOM 0 HG12 ILE A 85 2.881 -7.303 1.617 1.00 1.03 H new ATOM 0 HG13 ILE A 85 1.481 -7.401 0.569 1.00 1.03 H new ATOM 0 HG21 ILE A 85 1.461 -7.076 3.493 1.00 0.85 H new ATOM 0 HG22 ILE A 85 0.385 -5.675 3.709 1.00 0.85 H new ATOM 0 HG23 ILE A 85 -0.064 -6.977 2.582 1.00 0.85 H new ATOM 0 HD11 ILE A 85 3.514 -6.911 -0.729 1.00 0.72 H new ATOM 0 HD12 ILE A 85 2.375 -5.546 -0.823 1.00 0.72 H new ATOM 0 HD13 ILE A 85 3.798 -5.447 0.242 1.00 0.72 H new ATOM 1279 N ALA A 86 1.138 -2.501 1.915 1.00 0.64 N ATOM 1280 CA ALA A 86 1.728 -1.168 1.927 1.00 0.65 C ATOM 1281 C ALA A 86 3.259 -1.182 1.754 1.00 0.62 C ATOM 1282 O ALA A 86 3.937 -2.125 2.153 1.00 0.62 O ATOM 1283 CB ALA A 86 1.338 -0.493 3.245 1.00 0.71 C ATOM 0 H ALA A 86 0.665 -2.733 2.789 1.00 0.64 H new ATOM 0 HA ALA A 86 1.342 -0.611 1.073 1.00 0.65 H new ATOM 0 HB1 ALA A 86 1.767 0.508 3.282 1.00 0.71 H new ATOM 0 HB2 ALA A 86 0.252 -0.426 3.312 1.00 0.71 H new ATOM 0 HB3 ALA A 86 1.717 -1.081 4.081 1.00 0.71 H new ATOM 1289 N GLY A 87 3.799 -0.106 1.181 1.00 0.63 N ATOM 1290 CA GLY A 87 5.236 0.114 0.996 1.00 0.62 C ATOM 1291 C GLY A 87 5.872 -0.611 -0.196 1.00 0.62 C ATOM 1292 O GLY A 87 7.023 -0.330 -0.519 1.00 0.75 O ATOM 0 H GLY A 87 3.232 0.661 0.821 1.00 0.63 H new ATOM 0 HA2 GLY A 87 5.409 1.184 0.881 1.00 0.62 H new ATOM 0 HA3 GLY A 87 5.752 -0.197 1.904 1.00 0.62 H new ATOM 1296 N SER A 88 5.132 -1.479 -0.889 1.00 0.59 N ATOM 1297 CA SER A 88 5.582 -2.129 -2.128 1.00 0.59 C ATOM 1298 C SER A 88 5.514 -1.170 -3.334 1.00 0.56 C ATOM 1299 O SER A 88 4.820 -0.148 -3.274 1.00 0.56 O ATOM 1300 CB SER A 88 4.784 -3.421 -2.335 1.00 0.62 C ATOM 1301 OG SER A 88 3.397 -3.164 -2.465 1.00 1.37 O ATOM 0 H SER A 88 4.192 -1.755 -0.605 1.00 0.59 H new ATOM 0 HA SER A 88 6.635 -2.396 -2.039 1.00 0.59 H new ATOM 0 HB2 SER A 88 5.145 -3.933 -3.227 1.00 0.62 H new ATOM 0 HB3 SER A 88 4.953 -4.092 -1.493 1.00 0.62 H new ATOM 0 HG SER A 88 2.978 -3.173 -1.579 1.00 1.37 H new ATOM 1307 N ILE A 89 6.256 -1.463 -4.415 1.00 0.55 N ATOM 1308 CA ILE A 89 6.476 -0.533 -5.552 1.00 0.54 C ATOM 1309 C ILE A 89 5.758 -1.000 -6.829 1.00 0.54 C ATOM 1310 O ILE A 89 5.993 -2.119 -7.281 1.00 0.69 O ATOM 1311 CB ILE A 89 7.985 -0.328 -5.856 1.00 0.61 C ATOM 1312 CG1 ILE A 89 8.959 -0.497 -4.666 1.00 0.67 C ATOM 1313 CG2 ILE A 89 8.183 1.040 -6.531 1.00 0.67 C ATOM 1314 CD1 ILE A 89 8.784 0.491 -3.511 1.00 0.71 C ATOM 0 H ILE A 89 6.728 -2.360 -4.532 1.00 0.55 H new ATOM 0 HA ILE A 89 6.050 0.421 -5.240 1.00 0.54 H new ATOM 0 HB ILE A 89 8.255 -1.148 -6.522 1.00 0.61 H new ATOM 0 HG12 ILE A 89 8.849 -1.508 -4.273 1.00 0.67 H new ATOM 0 HG13 ILE A 89 9.979 -0.410 -5.041 1.00 0.67 H new ATOM 0 HG21 ILE A 89 9.241 1.190 -6.747 1.00 0.67 H new ATOM 0 HG22 ILE A 89 7.615 1.073 -7.461 1.00 0.67 H new ATOM 0 HG23 ILE A 89 7.834 1.829 -5.864 1.00 0.67 H new ATOM 0 HD11 ILE A 89 9.519 0.278 -2.735 1.00 0.71 H new ATOM 0 HD12 ILE A 89 8.927 1.508 -3.877 1.00 0.71 H new ATOM 0 HD13 ILE A 89 7.781 0.393 -3.097 1.00 0.71 H new ATOM 1326 N ASN A 90 4.926 -0.152 -7.441 1.00 0.47 N ATOM 1327 CA ASN A 90 4.078 -0.453 -8.607 1.00 0.47 C ATOM 1328 C ASN A 90 4.749 -0.038 -9.937 1.00 0.65 C ATOM 1329 O ASN A 90 5.146 1.118 -10.064 1.00 0.91 O ATOM 1330 CB ASN A 90 2.756 0.304 -8.368 1.00 0.51 C ATOM 1331 CG ASN A 90 1.703 0.015 -9.402 1.00 0.73 C ATOM 1332 OD1 ASN A 90 1.082 -1.029 -9.401 1.00 1.68 O ATOM 1333 ND2 ASN A 90 1.461 0.928 -10.302 1.00 0.44 N ATOM 0 H ASN A 90 4.817 0.811 -7.124 1.00 0.47 H new ATOM 0 HA ASN A 90 3.908 -1.525 -8.703 1.00 0.47 H new ATOM 0 HB2 ASN A 90 2.369 0.041 -7.384 1.00 0.51 H new ATOM 0 HB3 ASN A 90 2.957 1.375 -8.356 1.00 0.51 H new ATOM 0 HD21 ASN A 90 0.746 0.768 -11.012 1.00 0.44 H new ATOM 0 HD22 ASN A 90 1.987 1.802 -10.296 1.00 0.44 H new ATOM 1340 N GLN A 91 4.871 -0.915 -10.952 1.00 0.68 N ATOM 1341 CA GLN A 91 5.676 -0.608 -12.154 1.00 0.82 C ATOM 1342 C GLN A 91 5.217 -1.283 -13.473 1.00 1.37 C ATOM 1343 O GLN A 91 5.820 -2.249 -13.941 1.00 2.93 O ATOM 1344 CB GLN A 91 7.153 -0.925 -11.844 1.00 1.39 C ATOM 1345 CG GLN A 91 8.119 -0.225 -12.810 1.00 1.91 C ATOM 1346 CD GLN A 91 8.151 1.278 -12.577 1.00 2.60 C ATOM 1347 OE1 GLN A 91 8.812 1.776 -11.673 1.00 3.44 O ATOM 1348 NE2 GLN A 91 7.413 2.048 -13.343 1.00 3.18 N ATOM 0 H GLN A 91 4.428 -1.834 -10.966 1.00 0.68 H new ATOM 0 HA GLN A 91 5.529 0.453 -12.358 1.00 0.82 H new ATOM 0 HB2 GLN A 91 7.380 -0.619 -10.823 1.00 1.39 H new ATOM 0 HB3 GLN A 91 7.309 -2.003 -11.896 1.00 1.39 H new ATOM 0 HG2 GLN A 91 9.121 -0.635 -12.684 1.00 1.91 H new ATOM 0 HG3 GLN A 91 7.818 -0.428 -13.838 1.00 1.91 H new ATOM 0 HE21 GLN A 91 6.861 1.639 -14.097 1.00 3.18 H new ATOM 0 HE22 GLN A 91 7.392 3.055 -13.184 1.00 3.18 H new ATOM 1357 N ASN A 92 4.149 -0.756 -14.082 1.00 0.82 N ATOM 1358 CA ASN A 92 3.686 -1.053 -15.457 1.00 1.25 C ATOM 1359 C ASN A 92 2.547 -0.093 -15.866 1.00 1.27 C ATOM 1360 O ASN A 92 2.677 0.689 -16.811 1.00 2.48 O ATOM 1361 CB ASN A 92 3.210 -2.520 -15.573 1.00 2.03 C ATOM 1362 CG ASN A 92 2.662 -2.866 -16.948 1.00 2.61 C ATOM 1363 OD1 ASN A 92 3.416 -3.073 -17.885 1.00 3.35 O ATOM 1364 ND2 ASN A 92 1.363 -2.948 -17.122 1.00 2.64 N ATOM 0 H ASN A 92 3.550 -0.077 -13.613 1.00 0.82 H new ATOM 0 HA ASN A 92 4.528 -0.908 -16.134 1.00 1.25 H new ATOM 0 HB2 ASN A 92 4.043 -3.184 -15.344 1.00 2.03 H new ATOM 0 HB3 ASN A 92 2.439 -2.705 -14.825 1.00 2.03 H new ATOM 0 HD21 ASN A 92 0.985 -3.184 -18.039 1.00 2.64 H new ATOM 0 HD22 ASN A 92 0.732 -2.775 -16.340 1.00 2.64 H new ATOM 1371 N GLY A 93 1.449 -0.145 -15.110 1.00 0.87 N ATOM 1372 CA GLY A 93 0.215 0.625 -15.290 1.00 1.26 C ATOM 1373 C GLY A 93 -0.425 1.020 -13.952 1.00 1.14 C ATOM 1374 O GLY A 93 0.052 0.636 -12.876 1.00 1.90 O ATOM 0 H GLY A 93 1.394 -0.766 -14.303 1.00 0.87 H new ATOM 0 HA2 GLY A 93 0.431 1.524 -15.866 1.00 1.26 H new ATOM 0 HA3 GLY A 93 -0.496 0.037 -15.871 1.00 1.26 H new ATOM 1378 N SER A 94 -1.496 1.809 -14.021 1.00 0.79 N ATOM 1379 CA SER A 94 -2.215 2.344 -12.859 1.00 0.75 C ATOM 1380 C SER A 94 -3.296 1.382 -12.350 1.00 0.73 C ATOM 1381 O SER A 94 -3.980 0.740 -13.159 1.00 0.96 O ATOM 1382 CB SER A 94 -2.837 3.710 -13.183 1.00 1.15 C ATOM 1383 OG SER A 94 -1.842 4.635 -13.587 1.00 1.82 O ATOM 0 H SER A 94 -1.901 2.104 -14.910 1.00 0.79 H new ATOM 0 HA SER A 94 -1.480 2.465 -12.063 1.00 0.75 H new ATOM 0 HB2 SER A 94 -3.578 3.598 -13.974 1.00 1.15 H new ATOM 0 HB3 SER A 94 -3.361 4.093 -12.307 1.00 1.15 H new ATOM 0 HG SER A 94 -2.260 5.498 -13.790 1.00 1.82 H new ATOM 1389 N LEU A 95 -3.453 1.288 -11.025 1.00 0.64 N ATOM 1390 CA LEU A 95 -4.403 0.409 -10.321 1.00 0.64 C ATOM 1391 C LEU A 95 -5.278 1.182 -9.306 1.00 0.66 C ATOM 1392 O LEU A 95 -4.964 2.305 -8.899 1.00 0.59 O ATOM 1393 CB LEU A 95 -3.625 -0.695 -9.571 1.00 0.61 C ATOM 1394 CG LEU A 95 -2.673 -1.621 -10.332 1.00 0.70 C ATOM 1395 CD1 LEU A 95 -1.939 -2.530 -9.342 1.00 0.73 C ATOM 1396 CD2 LEU A 95 -3.438 -2.505 -11.287 1.00 0.90 C ATOM 0 H LEU A 95 -2.896 1.848 -10.380 1.00 0.64 H new ATOM 0 HA LEU A 95 -5.063 -0.023 -11.073 1.00 0.64 H new ATOM 0 HB2 LEU A 95 -3.044 -0.206 -8.789 1.00 0.61 H new ATOM 0 HB3 LEU A 95 -4.361 -1.327 -9.073 1.00 0.61 H new ATOM 0 HG LEU A 95 -1.970 -0.999 -10.886 1.00 0.70 H new ATOM 0 HD11 LEU A 95 -1.262 -3.188 -9.886 1.00 0.73 H new ATOM 0 HD12 LEU A 95 -1.368 -1.920 -8.642 1.00 0.73 H new ATOM 0 HD13 LEU A 95 -2.664 -3.130 -8.792 1.00 0.73 H new ATOM 0 HD21 LEU A 95 -2.742 -3.155 -11.818 1.00 0.90 H new ATOM 0 HD22 LEU A 95 -4.150 -3.113 -10.729 1.00 0.90 H new ATOM 0 HD23 LEU A 95 -3.975 -1.886 -12.005 1.00 0.90 H new ATOM 1408 N LEU A 96 -6.356 0.533 -8.849 1.00 0.78 N ATOM 1409 CA LEU A 96 -7.375 1.080 -7.938 1.00 0.67 C ATOM 1410 C LEU A 96 -7.535 0.207 -6.676 1.00 0.62 C ATOM 1411 O LEU A 96 -7.999 -0.931 -6.784 1.00 0.67 O ATOM 1412 CB LEU A 96 -8.678 1.129 -8.756 1.00 0.91 C ATOM 1413 CG LEU A 96 -9.901 1.797 -8.114 1.00 2.01 C ATOM 1414 CD1 LEU A 96 -9.689 3.291 -7.926 1.00 2.81 C ATOM 1415 CD2 LEU A 96 -11.083 1.640 -9.067 1.00 2.50 C ATOM 0 H LEU A 96 -6.553 -0.432 -9.115 1.00 0.78 H new ATOM 0 HA LEU A 96 -7.093 2.069 -7.575 1.00 0.67 H new ATOM 0 HB2 LEU A 96 -8.467 1.646 -9.692 1.00 0.91 H new ATOM 0 HB3 LEU A 96 -8.951 0.105 -9.012 1.00 0.91 H new ATOM 0 HG LEU A 96 -10.072 1.329 -7.145 1.00 2.01 H new ATOM 0 HD11 LEU A 96 -10.576 3.730 -7.469 1.00 2.81 H new ATOM 0 HD12 LEU A 96 -8.827 3.458 -7.279 1.00 2.81 H new ATOM 0 HD13 LEU A 96 -9.511 3.758 -8.895 1.00 2.81 H new ATOM 0 HD21 LEU A 96 -11.966 2.108 -8.632 1.00 2.50 H new ATOM 0 HD22 LEU A 96 -10.850 2.119 -10.018 1.00 2.50 H new ATOM 0 HD23 LEU A 96 -11.278 0.581 -9.233 1.00 2.50 H new ATOM 1427 N ILE A 97 -7.170 0.728 -5.495 1.00 0.60 N ATOM 1428 CA ILE A 97 -7.249 0.003 -4.209 1.00 0.58 C ATOM 1429 C ILE A 97 -8.424 0.476 -3.335 1.00 0.48 C ATOM 1430 O ILE A 97 -8.548 1.667 -3.042 1.00 0.46 O ATOM 1431 CB ILE A 97 -5.935 0.098 -3.391 1.00 0.74 C ATOM 1432 CG1 ILE A 97 -4.633 -0.015 -4.215 1.00 0.98 C ATOM 1433 CG2 ILE A 97 -5.910 -1.019 -2.326 1.00 0.77 C ATOM 1434 CD1 ILE A 97 -4.123 1.320 -4.771 1.00 1.67 C ATOM 0 H ILE A 97 -6.807 1.676 -5.400 1.00 0.60 H new ATOM 0 HA ILE A 97 -7.415 -1.039 -4.483 1.00 0.58 H new ATOM 0 HB ILE A 97 -5.949 1.098 -2.959 1.00 0.74 H new ATOM 0 HG12 ILE A 97 -3.857 -0.455 -3.589 1.00 0.98 H new ATOM 0 HG13 ILE A 97 -4.800 -0.701 -5.045 1.00 0.98 H new ATOM 0 HG21 ILE A 97 -4.987 -0.953 -1.751 1.00 0.77 H new ATOM 0 HG22 ILE A 97 -6.763 -0.903 -1.657 1.00 0.77 H new ATOM 0 HG23 ILE A 97 -5.963 -1.991 -2.817 1.00 0.77 H new ATOM 0 HD11 ILE A 97 -3.206 1.152 -5.336 1.00 1.67 H new ATOM 0 HD12 ILE A 97 -4.879 1.754 -5.426 1.00 1.67 H new ATOM 0 HD13 ILE A 97 -3.921 2.004 -3.947 1.00 1.67 H new ATOM 1446 N CYS A 98 -9.234 -0.458 -2.830 1.00 0.49 N ATOM 1447 CA CYS A 98 -10.252 -0.190 -1.807 1.00 0.49 C ATOM 1448 C CYS A 98 -9.627 -0.292 -0.406 1.00 0.60 C ATOM 1449 O CYS A 98 -9.332 -1.393 0.072 1.00 0.83 O ATOM 1450 CB CYS A 98 -11.425 -1.170 -1.972 1.00 0.54 C ATOM 1451 SG CYS A 98 -12.198 -1.005 -3.604 1.00 2.52 S ATOM 0 H CYS A 98 -9.202 -1.435 -3.123 1.00 0.49 H new ATOM 0 HA CYS A 98 -10.637 0.822 -1.929 1.00 0.49 H new ATOM 0 HB2 CYS A 98 -11.070 -2.192 -1.837 1.00 0.54 H new ATOM 0 HB3 CYS A 98 -12.167 -0.986 -1.195 1.00 0.54 H new ATOM 0 HG CYS A 98 -13.181 -1.849 -3.706 1.00 2.52 H new ATOM 1457 N ALA A 99 -9.411 0.841 0.268 1.00 0.53 N ATOM 1458 CA ALA A 99 -8.781 0.868 1.585 1.00 0.62 C ATOM 1459 C ALA A 99 -9.786 0.491 2.688 1.00 0.78 C ATOM 1460 O ALA A 99 -10.761 1.206 2.915 1.00 0.94 O ATOM 1461 CB ALA A 99 -8.164 2.254 1.811 1.00 0.58 C ATOM 0 H ALA A 99 -9.669 1.762 -0.086 1.00 0.53 H new ATOM 0 HA ALA A 99 -7.987 0.123 1.629 1.00 0.62 H new ATOM 0 HB1 ALA A 99 -7.690 2.286 2.792 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -7.418 2.450 1.041 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -8.945 3.013 1.760 1.00 0.58 H new ATOM 1467 N THR A 100 -9.537 -0.626 3.384 1.00 0.89 N ATOM 1468 CA THR A 100 -10.354 -1.099 4.524 1.00 1.07 C ATOM 1469 C THR A 100 -9.587 -1.120 5.858 1.00 0.95 C ATOM 1470 O THR A 100 -10.086 -1.617 6.870 1.00 0.96 O ATOM 1471 CB THR A 100 -11.050 -2.428 4.165 1.00 1.48 C ATOM 1472 OG1 THR A 100 -12.247 -2.569 4.893 1.00 3.30 O ATOM 1473 CG2 THR A 100 -10.206 -3.681 4.375 1.00 1.88 C ATOM 0 H THR A 100 -8.751 -1.241 3.172 1.00 0.89 H new ATOM 0 HA THR A 100 -11.142 -0.368 4.703 1.00 1.07 H new ATOM 0 HB THR A 100 -11.236 -2.355 3.094 1.00 1.48 H new ATOM 0 HG1 THR A 100 -12.097 -2.302 5.824 1.00 3.30 H new ATOM 0 HG21 THR A 100 -10.785 -4.561 4.094 1.00 1.88 H new ATOM 0 HG22 THR A 100 -9.310 -3.624 3.757 1.00 1.88 H new ATOM 0 HG23 THR A 100 -9.919 -3.755 5.424 1.00 1.88 H new ATOM 1481 N HIS A 101 -8.389 -0.526 5.885 1.00 0.85 N ATOM 1482 CA HIS A 101 -7.520 -0.409 7.057 1.00 0.77 C ATOM 1483 C HIS A 101 -6.834 0.964 7.092 1.00 0.73 C ATOM 1484 O HIS A 101 -6.360 1.431 6.053 1.00 0.71 O ATOM 1485 CB HIS A 101 -6.400 -1.469 7.000 1.00 0.85 C ATOM 1486 CG HIS A 101 -6.840 -2.871 6.677 1.00 1.09 C ATOM 1487 ND1 HIS A 101 -6.739 -3.487 5.451 1.00 1.42 N ATOM 1488 CD2 HIS A 101 -7.368 -3.783 7.546 1.00 1.31 C ATOM 1489 CE1 HIS A 101 -7.219 -4.732 5.568 1.00 1.69 C ATOM 1490 NE2 HIS A 101 -7.603 -4.967 6.834 1.00 1.62 N ATOM 0 H HIS A 101 -7.983 -0.096 5.054 1.00 0.85 H new ATOM 0 HA HIS A 101 -8.146 -0.547 7.938 1.00 0.77 H new ATOM 0 HB2 HIS A 101 -5.669 -1.157 6.254 1.00 0.85 H new ATOM 0 HB3 HIS A 101 -5.889 -1.482 7.962 1.00 0.85 H new ATOM 0 HD1 HIS A 101 -6.364 -3.068 4.600 1.00 1.42 H new ATOM 0 HD2 HIS A 101 -7.569 -3.621 8.595 1.00 1.31 H new ATOM 0 HE1 HIS A 101 -7.288 -5.445 4.760 1.00 1.69 H new ATOM 1498 N VAL A 102 -6.738 1.591 8.268 1.00 0.80 N ATOM 1499 CA VAL A 102 -5.818 2.729 8.483 1.00 0.87 C ATOM 1500 C VAL A 102 -4.433 2.187 8.828 1.00 0.98 C ATOM 1501 O VAL A 102 -4.309 1.024 9.208 1.00 1.03 O ATOM 1502 CB VAL A 102 -6.309 3.729 9.545 1.00 1.00 C ATOM 1503 CG1 VAL A 102 -7.524 4.493 9.022 1.00 1.46 C ATOM 1504 CG2 VAL A 102 -6.630 3.090 10.901 1.00 1.63 C ATOM 0 H VAL A 102 -7.284 1.335 9.091 1.00 0.80 H new ATOM 0 HA VAL A 102 -5.777 3.300 7.556 1.00 0.87 H new ATOM 0 HB VAL A 102 -5.480 4.414 9.724 1.00 1.00 H new ATOM 0 HG11 VAL A 102 -7.864 5.198 9.780 1.00 1.46 H new ATOM 0 HG12 VAL A 102 -7.250 5.037 8.118 1.00 1.46 H new ATOM 0 HG13 VAL A 102 -8.325 3.790 8.794 1.00 1.46 H new ATOM 0 HG21 VAL A 102 -6.969 3.859 11.595 1.00 1.63 H new ATOM 0 HG22 VAL A 102 -7.414 2.344 10.775 1.00 1.63 H new ATOM 0 HG23 VAL A 102 -5.735 2.612 11.299 1.00 1.63 H new ATOM 1514 N GLY A 103 -3.372 2.991 8.715 1.00 1.15 N ATOM 1515 CA GLY A 103 -1.991 2.495 8.808 1.00 1.37 C ATOM 1516 C GLY A 103 -1.692 1.700 10.084 1.00 1.50 C ATOM 1517 O GLY A 103 -1.149 0.602 9.994 1.00 1.73 O ATOM 0 H GLY A 103 -3.442 3.996 8.558 1.00 1.15 H new ATOM 0 HA2 GLY A 103 -1.785 1.864 7.944 1.00 1.37 H new ATOM 0 HA3 GLY A 103 -1.308 3.343 8.754 1.00 1.37 H new ATOM 1521 N ALA A 104 -2.155 2.169 11.247 1.00 1.49 N ATOM 1522 CA ALA A 104 -2.003 1.463 12.528 1.00 1.60 C ATOM 1523 C ALA A 104 -2.710 0.087 12.573 1.00 1.44 C ATOM 1524 O ALA A 104 -2.275 -0.821 13.280 1.00 1.55 O ATOM 1525 CB ALA A 104 -2.555 2.374 13.633 1.00 1.79 C ATOM 0 H ALA A 104 -2.650 3.057 11.329 1.00 1.49 H new ATOM 0 HA ALA A 104 -0.943 1.250 12.669 1.00 1.60 H new ATOM 0 HB1 ALA A 104 -2.456 1.877 14.598 1.00 1.79 H new ATOM 0 HB2 ALA A 104 -1.995 3.309 13.647 1.00 1.79 H new ATOM 0 HB3 ALA A 104 -3.607 2.584 13.439 1.00 1.79 H new ATOM 1531 N ASP A 105 -3.823 -0.061 11.853 1.00 1.28 N ATOM 1532 CA ASP A 105 -4.589 -1.303 11.693 1.00 1.29 C ATOM 1533 C ASP A 105 -3.960 -2.312 10.707 1.00 1.28 C ATOM 1534 O ASP A 105 -4.338 -3.488 10.713 1.00 1.44 O ATOM 1535 CB ASP A 105 -6.017 -0.896 11.296 1.00 1.34 C ATOM 1536 CG ASP A 105 -7.083 -1.970 11.510 1.00 1.73 C ATOM 1537 OD1 ASP A 105 -7.224 -2.479 12.650 1.00 2.41 O ATOM 1538 OD2 ASP A 105 -7.900 -2.160 10.580 1.00 2.80 O ATOM 0 H ASP A 105 -4.237 0.718 11.340 1.00 1.28 H new ATOM 0 HA ASP A 105 -4.589 -1.851 12.635 1.00 1.29 H new ATOM 0 HB2 ASP A 105 -6.297 -0.010 11.866 1.00 1.34 H new ATOM 0 HB3 ASP A 105 -6.017 -0.611 10.244 1.00 1.34 H new ATOM 1543 N THR A 106 -3.024 -1.875 9.848 1.00 1.23 N ATOM 1544 CA THR A 106 -2.420 -2.710 8.787 1.00 1.34 C ATOM 1545 C THR A 106 -1.521 -3.819 9.331 1.00 1.41 C ATOM 1546 O THR A 106 -0.854 -3.659 10.356 1.00 1.39 O ATOM 1547 CB THR A 106 -1.595 -1.918 7.753 1.00 1.40 C ATOM 1548 OG1 THR A 106 -0.443 -1.328 8.313 1.00 1.60 O ATOM 1549 CG2 THR A 106 -2.393 -0.867 6.991 1.00 1.81 C ATOM 0 H THR A 106 -2.659 -0.923 9.868 1.00 1.23 H new ATOM 0 HA THR A 106 -3.293 -3.140 8.296 1.00 1.34 H new ATOM 0 HB THR A 106 -1.287 -2.674 7.031 1.00 1.40 H new ATOM 0 HG1 THR A 106 -0.686 -0.485 8.750 1.00 1.60 H new ATOM 0 HG21 THR A 106 -1.739 -0.356 6.284 1.00 1.81 H new ATOM 0 HG22 THR A 106 -3.206 -1.350 6.449 1.00 1.81 H new ATOM 0 HG23 THR A 106 -2.805 -0.143 7.694 1.00 1.81 H new ATOM 1557 N THR A 107 -1.412 -4.920 8.581 1.00 1.54 N ATOM 1558 CA THR A 107 -0.486 -6.027 8.896 1.00 1.58 C ATOM 1559 C THR A 107 0.968 -5.542 9.036 1.00 1.52 C ATOM 1560 O THR A 107 1.671 -5.943 9.961 1.00 1.47 O ATOM 1561 CB THR A 107 -0.634 -7.156 7.855 1.00 1.72 C ATOM 1562 OG1 THR A 107 0.150 -8.281 8.179 1.00 1.90 O ATOM 1563 CG2 THR A 107 -0.251 -6.759 6.426 1.00 2.07 C ATOM 0 H THR A 107 -1.962 -5.075 7.736 1.00 1.54 H new ATOM 0 HA THR A 107 -0.757 -6.434 9.870 1.00 1.58 H new ATOM 0 HB THR A 107 -1.700 -7.383 7.888 1.00 1.72 H new ATOM 0 HG1 THR A 107 0.027 -8.973 7.496 1.00 1.90 H new ATOM 0 HG21 THR A 107 -0.386 -7.613 5.763 1.00 2.07 H new ATOM 0 HG22 THR A 107 -0.886 -5.938 6.094 1.00 2.07 H new ATOM 0 HG23 THR A 107 0.792 -6.443 6.403 1.00 2.07 H new ATOM 1571 N LEU A 108 1.391 -4.577 8.209 1.00 1.56 N ATOM 1572 CA LEU A 108 2.737 -3.995 8.234 1.00 1.56 C ATOM 1573 C LEU A 108 3.049 -3.301 9.577 1.00 1.43 C ATOM 1574 O LEU A 108 4.084 -3.558 10.191 1.00 1.39 O ATOM 1575 CB LEU A 108 2.848 -3.000 7.062 1.00 1.73 C ATOM 1576 CG LEU A 108 4.303 -2.621 6.729 1.00 0.95 C ATOM 1577 CD1 LEU A 108 4.922 -3.634 5.772 1.00 1.58 C ATOM 1578 CD2 LEU A 108 4.362 -1.268 6.034 1.00 0.96 C ATOM 0 H LEU A 108 0.793 -4.171 7.489 1.00 1.56 H new ATOM 0 HA LEU A 108 3.472 -4.793 8.128 1.00 1.56 H new ATOM 0 HB2 LEU A 108 2.380 -3.435 6.178 1.00 1.73 H new ATOM 0 HB3 LEU A 108 2.290 -2.096 7.306 1.00 1.73 H new ATOM 0 HG LEU A 108 4.847 -2.598 7.673 1.00 0.95 H new ATOM 0 HD11 LEU A 108 5.950 -3.345 5.551 1.00 1.58 H new ATOM 0 HD12 LEU A 108 4.914 -4.622 6.232 1.00 1.58 H new ATOM 0 HD13 LEU A 108 4.346 -3.660 4.847 1.00 1.58 H new ATOM 0 HD21 LEU A 108 5.399 -1.020 5.808 1.00 0.96 H new ATOM 0 HD22 LEU A 108 3.789 -1.309 5.108 1.00 0.96 H new ATOM 0 HD23 LEU A 108 3.941 -0.504 6.688 1.00 0.96 H new ATOM 1590 N SER A 109 2.139 -2.439 10.044 1.00 1.38 N ATOM 1591 CA SER A 109 2.288 -1.712 11.313 1.00 1.30 C ATOM 1592 C SER A 109 2.115 -2.633 12.535 1.00 1.17 C ATOM 1593 O SER A 109 2.711 -2.394 13.590 1.00 1.16 O ATOM 1594 CB SER A 109 1.339 -0.508 11.331 1.00 1.39 C ATOM 1595 OG SER A 109 1.808 0.494 12.216 1.00 1.63 O ATOM 0 H SER A 109 1.273 -2.224 9.550 1.00 1.38 H new ATOM 0 HA SER A 109 3.308 -1.335 11.384 1.00 1.30 H new ATOM 0 HB2 SER A 109 1.248 -0.097 10.326 1.00 1.39 H new ATOM 0 HB3 SER A 109 0.343 -0.830 11.635 1.00 1.39 H new ATOM 0 HG SER A 109 1.188 1.253 12.210 1.00 1.63 H new ATOM 1601 N GLN A 110 1.370 -3.736 12.386 1.00 1.15 N ATOM 1602 CA GLN A 110 1.205 -4.777 13.406 1.00 1.14 C ATOM 1603 C GLN A 110 2.488 -5.598 13.633 1.00 1.16 C ATOM 1604 O GLN A 110 2.862 -5.861 14.776 1.00 1.19 O ATOM 1605 CB GLN A 110 0.031 -5.682 12.994 1.00 1.20 C ATOM 1606 CG GLN A 110 -0.532 -6.495 14.162 1.00 1.33 C ATOM 1607 CD GLN A 110 -1.308 -5.583 15.099 1.00 1.46 C ATOM 1608 OE1 GLN A 110 -0.857 -5.209 16.174 1.00 1.63 O ATOM 1609 NE2 GLN A 110 -2.473 -5.134 14.701 1.00 1.58 N ATOM 0 H GLN A 110 0.852 -3.933 11.530 1.00 1.15 H new ATOM 0 HA GLN A 110 0.991 -4.296 14.360 1.00 1.14 H new ATOM 0 HB2 GLN A 110 -0.763 -5.068 12.569 1.00 1.20 H new ATOM 0 HB3 GLN A 110 0.361 -6.363 12.210 1.00 1.20 H new ATOM 0 HG2 GLN A 110 -1.183 -7.285 13.787 1.00 1.33 H new ATOM 0 HG3 GLN A 110 0.280 -6.981 14.703 1.00 1.33 H new ATOM 0 HE21 GLN A 110 -2.859 -5.439 13.807 1.00 1.58 H new ATOM 0 HE22 GLN A 110 -2.994 -4.480 15.285 1.00 1.58 H new ATOM 1618 N ILE A 111 3.207 -5.950 12.562 1.00 1.20 N ATOM 1619 CA ILE A 111 4.494 -6.668 12.637 1.00 1.22 C ATOM 1620 C ILE A 111 5.501 -5.888 13.500 1.00 1.16 C ATOM 1621 O ILE A 111 6.064 -6.448 14.448 1.00 1.18 O ATOM 1622 CB ILE A 111 5.031 -6.962 11.213 1.00 1.33 C ATOM 1623 CG1 ILE A 111 4.148 -8.032 10.527 1.00 1.48 C ATOM 1624 CG2 ILE A 111 6.498 -7.438 11.234 1.00 1.37 C ATOM 1625 CD1 ILE A 111 4.313 -8.083 9.003 1.00 1.66 C ATOM 0 H ILE A 111 2.913 -5.745 11.607 1.00 1.20 H new ATOM 0 HA ILE A 111 4.340 -7.630 13.126 1.00 1.22 H new ATOM 0 HB ILE A 111 4.992 -6.029 10.650 1.00 1.33 H new ATOM 0 HG12 ILE A 111 4.389 -9.010 10.943 1.00 1.48 H new ATOM 0 HG13 ILE A 111 3.103 -7.834 10.764 1.00 1.48 H new ATOM 0 HG21 ILE A 111 6.832 -7.632 10.215 1.00 1.37 H new ATOM 0 HG22 ILE A 111 7.125 -6.666 11.681 1.00 1.37 H new ATOM 0 HG23 ILE A 111 6.575 -8.353 11.822 1.00 1.37 H new ATOM 0 HD11 ILE A 111 3.663 -8.856 8.592 1.00 1.66 H new ATOM 0 HD12 ILE A 111 4.043 -7.117 8.575 1.00 1.66 H new ATOM 0 HD13 ILE A 111 5.350 -8.312 8.757 1.00 1.66 H new ATOM 1637 N VAL A 112 5.687 -4.587 13.240 1.00 1.17 N ATOM 1638 CA VAL A 112 6.614 -3.753 14.033 1.00 1.21 C ATOM 1639 C VAL A 112 6.134 -3.473 15.462 1.00 1.34 C ATOM 1640 O VAL A 112 6.961 -3.142 16.312 1.00 1.48 O ATOM 1641 CB VAL A 112 7.030 -2.453 13.322 1.00 1.27 C ATOM 1642 CG1 VAL A 112 7.785 -2.757 12.025 1.00 1.21 C ATOM 1643 CG2 VAL A 112 5.857 -1.526 13.006 1.00 1.43 C ATOM 0 H VAL A 112 5.211 -4.086 12.490 1.00 1.17 H new ATOM 0 HA VAL A 112 7.508 -4.371 14.122 1.00 1.21 H new ATOM 0 HB VAL A 112 7.679 -1.933 14.027 1.00 1.27 H new ATOM 0 HG11 VAL A 112 8.068 -1.822 11.541 1.00 1.21 H new ATOM 0 HG12 VAL A 112 8.681 -3.334 12.252 1.00 1.21 H new ATOM 0 HG13 VAL A 112 7.144 -3.332 11.357 1.00 1.21 H new ATOM 0 HG21 VAL A 112 6.226 -0.631 12.506 1.00 1.43 H new ATOM 0 HG22 VAL A 112 5.151 -2.041 12.354 1.00 1.43 H new ATOM 0 HG23 VAL A 112 5.356 -1.244 13.932 1.00 1.43 H new