USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 498 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 18 THR OG1 : rot -107:sc= -2.29 USER MOD Set 1.2: A 21 MET CE :methyl -164:sc= -4.92! (180deg=-6.59!) USER MOD Set 2.1: A 14 ASN : amide:sc= -6.47! C(o=-8.1!,f=-5.8!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -149:sc= -1.62! (180deg=-0.191) USER MOD Set 3.1: A 2 GLN : amide:sc= -5.61! C(o=-4.9!,f=-14!) USER MOD Set 3.2: A 4 SER OG : rot -57:sc= 0.709 USER MOD Single : A 15 THR OG1 : rot 66:sc= -0.662 USER MOD Single : A 22 MET CE :methyl -168:sc= -3.63! (180deg=-4.27) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 123:sc= 1.08 USER MOD Single : A 28 SER OG : rot 180:sc= -0.48 USER MOD Single : A 30 THR OG1 : rot 49:sc= 0.176 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -147:sc= -8.3! (180deg=-15.9!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.78! C(o=-4.8!,f=-5.8!) USER MOD Single : A 47 GLN : amide:sc= -2.07! K(o=-2.1!,f=-0.76) USER MOD Single : A 51 MET CE :methyl 157:sc= -0.179 (180deg=-0.9) USER MOD Single : A 53 THR OG1 : rot -126:sc= -1.25 USER MOD Single : A 54 THR OG1 : rot 160:sc= -3.92! USER MOD Single : A 56 MET CE :methyl -147:sc= -3.52! (180deg=-4.49!) USER MOD Single : A 59 MET CE :methyl 169:sc= -5.32! (180deg=-5.77!) USER MOD Single : A 63 TYR OH : rot 150:sc= -1.5 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.334 0.255 -4.816 1.00 14.54 N ATOM 33 CA GLN A 2 -1.830 1.374 -5.600 1.00 0.15 C ATOM 34 C GLN A 2 -2.562 0.867 -6.844 1.00 2.31 C ATOM 35 O GLN A 2 -2.064 -0.012 -7.546 1.00 15.21 O ATOM 36 CB GLN A 2 -0.692 2.323 -5.981 1.00 71.01 C ATOM 37 CG GLN A 2 0.035 1.832 -7.235 1.00 35.43 C ATOM 38 CD GLN A 2 -0.757 2.176 -8.498 1.00 11.42 C ATOM 39 OE1 GLN A 2 -1.062 1.329 -9.321 1.00 14.01 O ATOM 40 NE2 GLN A 2 -1.071 3.464 -8.605 1.00 15.34 N ATOM 0 HA GLN A 2 -2.538 1.935 -4.990 1.00 0.15 H new ATOM 0 HB2 GLN A 2 -1.090 3.323 -6.155 1.00 71.01 H new ATOM 0 HB3 GLN A 2 0.014 2.401 -5.154 1.00 71.01 H new ATOM 0 HG2 GLN A 2 1.025 2.286 -7.287 1.00 35.43 H new ATOM 0 HG3 GLN A 2 0.182 0.754 -7.176 1.00 35.43 H new ATOM 0 HE21 GLN A 2 -0.784 4.121 -7.879 1.00 15.34 H new ATOM 0 HE22 GLN A 2 -1.598 3.795 -9.413 1.00 15.34 H new ATOM 49 N GLU A 3 -3.731 1.443 -7.079 1.00 55.42 N ATOM 50 CA GLU A 3 -4.537 1.061 -8.227 1.00 2.13 C ATOM 51 C GLU A 3 -3.859 1.508 -9.523 1.00 41.14 C ATOM 52 O GLU A 3 -3.401 2.645 -9.629 1.00 22.23 O ATOM 53 CB GLU A 3 -5.950 1.636 -8.120 1.00 55.35 C ATOM 54 CG GLU A 3 -6.884 0.667 -7.392 1.00 25.01 C ATOM 55 CD GLU A 3 -8.303 1.232 -7.306 1.00 4.43 C ATOM 56 OE1 GLU A 3 -8.609 1.999 -6.381 1.00 34.15 O ATOM 57 OE2 GLU A 3 -9.100 0.850 -8.245 1.00 30.32 O ATOM 0 H GLU A 3 -4.140 2.172 -6.494 1.00 55.42 H new ATOM 0 HA GLU A 3 -4.623 -0.026 -8.241 1.00 2.13 H new ATOM 0 HB2 GLU A 3 -5.920 2.587 -7.588 1.00 55.35 H new ATOM 0 HB3 GLU A 3 -6.339 1.841 -9.117 1.00 55.35 H new ATOM 0 HG2 GLU A 3 -6.901 -0.289 -7.915 1.00 25.01 H new ATOM 0 HG3 GLU A 3 -6.504 0.475 -6.389 1.00 25.01 H new ATOM 65 N SER A 4 -3.817 0.591 -10.478 1.00 64.43 N ATOM 66 CA SER A 4 -3.202 0.876 -11.764 1.00 14.02 C ATOM 67 C SER A 4 -4.220 0.670 -12.887 1.00 73.14 C ATOM 68 O SER A 4 -5.062 -0.224 -12.811 1.00 13.52 O ATOM 69 CB SER A 4 -1.972 -0.004 -11.994 1.00 73.00 C ATOM 70 OG SER A 4 -1.467 -0.544 -10.776 1.00 61.20 O ATOM 0 H SER A 4 -4.199 -0.350 -10.387 1.00 64.43 H new ATOM 0 HA SER A 4 -2.875 1.916 -11.764 1.00 14.02 H new ATOM 0 HB2 SER A 4 -2.230 -0.818 -12.672 1.00 73.00 H new ATOM 0 HB3 SER A 4 -1.193 0.582 -12.481 1.00 73.00 H new ATOM 0 HG SER A 4 -1.254 0.186 -10.158 1.00 61.20 H new ATOM 76 N VAL A 5 -4.109 1.511 -13.905 1.00 14.43 N ATOM 77 CA VAL A 5 -5.010 1.433 -15.043 1.00 24.34 C ATOM 78 C VAL A 5 -4.973 0.016 -15.619 1.00 53.01 C ATOM 79 O VAL A 5 -3.903 -0.574 -15.759 1.00 40.21 O ATOM 80 CB VAL A 5 -4.648 2.506 -16.071 1.00 41.21 C ATOM 81 CG1 VAL A 5 -5.418 2.297 -17.376 1.00 71.53 C ATOM 82 CG2 VAL A 5 -4.892 3.908 -15.509 1.00 52.23 C ATOM 0 H VAL A 5 -3.409 2.250 -13.966 1.00 14.43 H new ATOM 0 HA VAL A 5 -6.036 1.632 -14.733 1.00 24.34 H new ATOM 0 HB VAL A 5 -3.584 2.414 -16.291 1.00 41.21 H new ATOM 0 HG11 VAL A 5 -5.142 3.073 -18.090 1.00 71.53 H new ATOM 0 HG12 VAL A 5 -5.173 1.319 -17.791 1.00 71.53 H new ATOM 0 HG13 VAL A 5 -6.489 2.349 -17.179 1.00 71.53 H new ATOM 0 HG21 VAL A 5 -4.627 4.652 -16.260 1.00 52.23 H new ATOM 0 HG22 VAL A 5 -5.944 4.017 -15.246 1.00 52.23 H new ATOM 0 HG23 VAL A 5 -4.279 4.055 -14.620 1.00 52.23 H new ATOM 92 N VAL A 6 -6.156 -0.489 -15.938 1.00 62.20 N ATOM 93 CA VAL A 6 -6.273 -1.826 -16.496 1.00 41.42 C ATOM 94 C VAL A 6 -7.344 -1.825 -17.589 1.00 20.33 C ATOM 95 O VAL A 6 -8.484 -1.432 -17.345 1.00 62.14 O ATOM 96 CB VAL A 6 -6.556 -2.835 -15.382 1.00 23.31 C ATOM 97 CG1 VAL A 6 -6.903 -4.208 -15.961 1.00 64.22 C ATOM 98 CG2 VAL A 6 -5.374 -2.931 -14.415 1.00 45.44 C ATOM 0 H VAL A 6 -7.042 0.003 -15.821 1.00 62.20 H new ATOM 0 HA VAL A 6 -5.335 -2.130 -16.960 1.00 41.42 H new ATOM 0 HB VAL A 6 -7.420 -2.480 -14.820 1.00 23.31 H new ATOM 0 HG11 VAL A 6 -7.100 -4.907 -15.148 1.00 64.22 H new ATOM 0 HG12 VAL A 6 -7.789 -4.124 -16.590 1.00 64.22 H new ATOM 0 HG13 VAL A 6 -6.067 -4.573 -16.558 1.00 64.22 H new ATOM 0 HG21 VAL A 6 -5.602 -3.655 -13.633 1.00 45.44 H new ATOM 0 HG22 VAL A 6 -4.485 -3.251 -14.958 1.00 45.44 H new ATOM 0 HG23 VAL A 6 -5.192 -1.955 -13.964 1.00 45.44 H new ATOM 108 N ALA A 7 -6.940 -2.271 -18.769 1.00 42.43 N ATOM 109 CA ALA A 7 -7.851 -2.327 -19.900 1.00 3.30 C ATOM 110 C ALA A 7 -9.130 -3.056 -19.483 1.00 43.23 C ATOM 111 O ALA A 7 -9.169 -4.285 -19.462 1.00 41.02 O ATOM 112 CB ALA A 7 -7.154 -3.001 -21.084 1.00 35.13 C ATOM 0 H ALA A 7 -5.994 -2.597 -18.967 1.00 42.43 H new ATOM 0 HA ALA A 7 -8.133 -1.323 -20.217 1.00 3.30 H new ATOM 0 HB1 ALA A 7 -7.837 -3.043 -21.932 1.00 35.13 H new ATOM 0 HB2 ALA A 7 -6.269 -2.428 -21.359 1.00 35.13 H new ATOM 0 HB3 ALA A 7 -6.859 -4.013 -20.805 1.00 35.13 H new ATOM 118 N ALA A 8 -10.144 -2.267 -19.162 1.00 15.10 N ATOM 119 CA ALA A 8 -11.422 -2.822 -18.747 1.00 44.01 C ATOM 120 C ALA A 8 -12.023 -3.626 -19.902 1.00 25.24 C ATOM 121 O ALA A 8 -12.969 -4.387 -19.706 1.00 71.03 O ATOM 122 CB ALA A 8 -12.343 -1.692 -18.282 1.00 64.12 C ATOM 0 H ALA A 8 -10.107 -1.248 -19.181 1.00 15.10 H new ATOM 0 HA ALA A 8 -11.290 -3.502 -17.905 1.00 44.01 H new ATOM 0 HB1 ALA A 8 -13.301 -2.108 -17.971 1.00 64.12 H new ATOM 0 HB2 ALA A 8 -11.884 -1.171 -17.442 1.00 64.12 H new ATOM 0 HB3 ALA A 8 -12.501 -0.991 -19.101 1.00 64.12 H new ATOM 128 N VAL A 9 -11.448 -3.430 -21.079 1.00 63.41 N ATOM 129 CA VAL A 9 -11.915 -4.128 -22.265 1.00 63.11 C ATOM 130 C VAL A 9 -10.771 -4.227 -23.277 1.00 13.40 C ATOM 131 O VAL A 9 -9.718 -3.619 -23.090 1.00 53.22 O ATOM 132 CB VAL A 9 -13.154 -3.430 -22.829 1.00 43.33 C ATOM 133 CG1 VAL A 9 -14.307 -3.464 -21.825 1.00 12.32 C ATOM 134 CG2 VAL A 9 -12.831 -1.993 -23.246 1.00 33.22 C ATOM 0 H VAL A 9 -10.663 -2.798 -21.237 1.00 63.41 H new ATOM 0 HA VAL A 9 -12.217 -5.145 -22.016 1.00 63.11 H new ATOM 0 HB VAL A 9 -13.470 -3.974 -23.719 1.00 43.33 H new ATOM 0 HG11 VAL A 9 -15.175 -2.961 -22.251 1.00 12.32 H new ATOM 0 HG12 VAL A 9 -14.562 -4.499 -21.599 1.00 12.32 H new ATOM 0 HG13 VAL A 9 -14.007 -2.956 -20.909 1.00 12.32 H new ATOM 0 HG21 VAL A 9 -13.728 -1.519 -23.644 1.00 33.22 H new ATOM 0 HG22 VAL A 9 -12.478 -1.433 -22.380 1.00 33.22 H new ATOM 0 HG23 VAL A 9 -12.056 -2.002 -24.012 1.00 33.22 H new ATOM 144 N LEU A 10 -11.017 -4.997 -24.327 1.00 12.34 N ATOM 145 CA LEU A 10 -10.021 -5.183 -25.368 1.00 53.42 C ATOM 146 C LEU A 10 -9.728 -3.836 -26.034 1.00 31.54 C ATOM 147 O LEU A 10 -10.539 -3.334 -26.810 1.00 61.34 O ATOM 148 CB LEU A 10 -10.468 -6.269 -26.349 1.00 1.13 C ATOM 149 CG LEU A 10 -9.691 -6.346 -27.664 1.00 44.34 C ATOM 150 CD1 LEU A 10 -8.482 -7.275 -27.534 1.00 12.22 C ATOM 151 CD2 LEU A 10 -10.607 -6.756 -28.819 1.00 44.53 C ATOM 0 H LEU A 10 -11.892 -5.499 -24.479 1.00 12.34 H new ATOM 0 HA LEU A 10 -9.084 -5.538 -24.940 1.00 53.42 H new ATOM 0 HB2 LEU A 10 -10.394 -7.235 -25.849 1.00 1.13 H new ATOM 0 HB3 LEU A 10 -11.521 -6.110 -26.581 1.00 1.13 H new ATOM 0 HG LEU A 10 -9.309 -5.351 -27.893 1.00 44.34 H new ATOM 0 HD11 LEU A 10 -7.947 -7.311 -28.483 1.00 12.22 H new ATOM 0 HD12 LEU A 10 -7.816 -6.899 -26.757 1.00 12.22 H new ATOM 0 HD13 LEU A 10 -8.820 -8.277 -27.269 1.00 12.22 H new ATOM 0 HD21 LEU A 10 -10.030 -6.803 -29.742 1.00 44.53 H new ATOM 0 HD22 LEU A 10 -11.039 -7.735 -28.611 1.00 44.53 H new ATOM 0 HD23 LEU A 10 -11.406 -6.022 -28.928 1.00 44.53 H new ATOM 163 N ILE A 11 -8.567 -3.290 -25.705 1.00 23.55 N ATOM 164 CA ILE A 11 -8.156 -2.012 -26.260 1.00 73.25 C ATOM 165 C ILE A 11 -7.153 -2.251 -27.390 1.00 63.04 C ATOM 166 O ILE A 11 -6.008 -2.625 -27.140 1.00 71.10 O ATOM 167 CB ILE A 11 -7.632 -1.091 -25.157 1.00 32.42 C ATOM 168 CG1 ILE A 11 -8.285 -1.420 -23.813 1.00 13.34 C ATOM 169 CG2 ILE A 11 -7.813 0.379 -25.538 1.00 11.41 C ATOM 170 CD1 ILE A 11 -8.140 -0.253 -22.833 1.00 71.41 C ATOM 0 H ILE A 11 -7.897 -3.710 -25.060 1.00 23.55 H new ATOM 0 HA ILE A 11 -9.010 -1.494 -26.695 1.00 73.25 H new ATOM 0 HB ILE A 11 -6.562 -1.265 -25.046 1.00 32.42 H new ATOM 0 HG12 ILE A 11 -9.341 -1.645 -23.963 1.00 13.34 H new ATOM 0 HG13 ILE A 11 -7.826 -2.314 -23.390 1.00 13.34 H new ATOM 0 HG21 ILE A 11 -7.432 1.012 -24.737 1.00 11.41 H new ATOM 0 HG22 ILE A 11 -7.264 0.587 -26.457 1.00 11.41 H new ATOM 0 HG23 ILE A 11 -8.872 0.587 -25.693 1.00 11.41 H new ATOM 0 HD11 ILE A 11 -8.613 -0.513 -21.886 1.00 71.41 H new ATOM 0 HD12 ILE A 11 -7.083 -0.047 -22.667 1.00 71.41 H new ATOM 0 HD13 ILE A 11 -8.621 0.633 -23.248 1.00 71.41 H new ATOM 182 N PRO A 12 -7.631 -2.019 -28.642 1.00 42.13 N ATOM 183 CA PRO A 12 -6.788 -2.205 -29.811 1.00 53.24 C ATOM 184 C PRO A 12 -5.779 -1.063 -29.947 1.00 54.44 C ATOM 185 O PRO A 12 -5.846 -0.080 -29.211 1.00 51.41 O ATOM 186 CB PRO A 12 -7.754 -2.287 -30.983 1.00 25.43 C ATOM 187 CG PRO A 12 -9.059 -1.683 -30.491 1.00 4.22 C ATOM 188 CD PRO A 12 -8.981 -1.575 -28.977 1.00 22.13 C ATOM 0 HA PRO A 12 -6.178 -3.106 -29.751 1.00 53.24 H new ATOM 0 HB2 PRO A 12 -7.371 -1.740 -31.844 1.00 25.43 H new ATOM 0 HB3 PRO A 12 -7.897 -3.320 -31.300 1.00 25.43 H new ATOM 0 HG2 PRO A 12 -9.217 -0.701 -30.936 1.00 4.22 H new ATOM 0 HG3 PRO A 12 -9.903 -2.306 -30.786 1.00 4.22 H new ATOM 0 HD2 PRO A 12 -9.155 -0.552 -28.644 1.00 22.13 H new ATOM 0 HD3 PRO A 12 -9.734 -2.200 -28.496 1.00 22.13 H new ATOM 196 N ILE A 13 -4.868 -1.230 -30.895 1.00 32.35 N ATOM 197 CA ILE A 13 -3.847 -0.226 -31.137 1.00 3.33 C ATOM 198 C ILE A 13 -4.497 1.022 -31.738 1.00 60.22 C ATOM 199 O ILE A 13 -5.523 0.929 -32.410 1.00 70.31 O ATOM 200 CB ILE A 13 -2.718 -0.804 -31.993 1.00 32.45 C ATOM 201 CG1 ILE A 13 -1.572 0.198 -32.139 1.00 41.43 C ATOM 202 CG2 ILE A 13 -3.245 -1.275 -33.350 1.00 14.14 C ATOM 203 CD1 ILE A 13 -0.604 -0.233 -33.244 1.00 15.55 C ATOM 0 H ILE A 13 -4.816 -2.046 -31.505 1.00 32.35 H new ATOM 0 HA ILE A 13 -3.381 0.077 -30.199 1.00 3.33 H new ATOM 0 HB ILE A 13 -2.316 -1.679 -31.482 1.00 32.45 H new ATOM 0 HG12 ILE A 13 -1.974 1.185 -32.367 1.00 41.43 H new ATOM 0 HG13 ILE A 13 -1.036 0.283 -31.194 1.00 41.43 H new ATOM 0 HG21 ILE A 13 -2.422 -1.681 -33.939 1.00 14.14 H new ATOM 0 HG22 ILE A 13 -3.999 -2.047 -33.199 1.00 14.14 H new ATOM 0 HG23 ILE A 13 -3.689 -0.433 -33.880 1.00 14.14 H new ATOM 0 HD11 ILE A 13 0.201 0.497 -33.327 1.00 15.55 H new ATOM 0 HD12 ILE A 13 -0.185 -1.209 -33.000 1.00 15.55 H new ATOM 0 HD13 ILE A 13 -1.138 -0.293 -34.192 1.00 15.55 H new ATOM 215 N ASN A 14 -3.873 2.161 -31.475 1.00 71.41 N ATOM 216 CA ASN A 14 -4.378 3.425 -31.982 1.00 52.21 C ATOM 217 C ASN A 14 -5.879 3.520 -31.700 1.00 71.34 C ATOM 218 O ASN A 14 -6.661 3.857 -32.588 1.00 61.01 O ATOM 219 CB ASN A 14 -4.173 3.534 -33.494 1.00 73.43 C ATOM 220 CG ASN A 14 -2.962 2.714 -33.944 1.00 33.33 C ATOM 221 OD1 ASN A 14 -3.080 1.604 -34.438 1.00 2.33 O ATOM 222 ND2 ASN A 14 -1.795 3.320 -33.745 1.00 71.45 N ATOM 0 H ASN A 14 -3.022 2.234 -30.917 1.00 71.41 H new ATOM 0 HA ASN A 14 -3.834 4.228 -31.486 1.00 52.21 H new ATOM 0 HB2 ASN A 14 -5.066 3.184 -34.012 1.00 73.43 H new ATOM 0 HB3 ASN A 14 -4.032 4.579 -33.771 1.00 73.43 H new ATOM 0 HD21 ASN A 14 -0.927 2.855 -34.011 1.00 71.45 H new ATOM 0 HD22 ASN A 14 -1.768 4.250 -33.327 1.00 71.45 H new ATOM 229 N THR A 15 -6.236 3.216 -30.461 1.00 74.33 N ATOM 230 CA THR A 15 -7.630 3.262 -30.052 1.00 3.15 C ATOM 231 C THR A 15 -7.820 4.276 -28.922 1.00 23.14 C ATOM 232 O THR A 15 -7.240 4.129 -27.847 1.00 34.54 O ATOM 233 CB THR A 15 -8.059 1.843 -29.673 1.00 42.13 C ATOM 234 OG1 THR A 15 -7.974 1.117 -30.896 1.00 43.15 O ATOM 235 CG2 THR A 15 -9.539 1.760 -29.293 1.00 45.51 C ATOM 0 H THR A 15 -5.585 2.937 -29.727 1.00 74.33 H new ATOM 0 HA THR A 15 -8.270 3.604 -30.865 1.00 3.15 H new ATOM 0 HB THR A 15 -7.450 1.490 -28.840 1.00 42.13 H new ATOM 0 HG1 THR A 15 -7.038 1.070 -31.184 1.00 43.15 H new ATOM 0 HG21 THR A 15 -9.791 0.732 -29.033 1.00 45.51 H new ATOM 0 HG22 THR A 15 -9.732 2.408 -28.438 1.00 45.51 H new ATOM 0 HG23 THR A 15 -10.150 2.081 -30.137 1.00 45.51 H new ATOM 243 N ALA A 16 -8.634 5.283 -29.204 1.00 24.44 N ATOM 244 CA ALA A 16 -8.907 6.321 -28.224 1.00 73.34 C ATOM 245 C ALA A 16 -9.361 5.673 -26.914 1.00 44.24 C ATOM 246 O ALA A 16 -10.249 4.822 -26.913 1.00 44.12 O ATOM 247 CB ALA A 16 -9.948 7.291 -28.786 1.00 74.11 C ATOM 0 H ALA A 16 -9.113 5.402 -30.097 1.00 24.44 H new ATOM 0 HA ALA A 16 -8.006 6.896 -28.012 1.00 73.34 H new ATOM 0 HB1 ALA A 16 -10.153 8.070 -28.052 1.00 74.11 H new ATOM 0 HB2 ALA A 16 -9.566 7.746 -29.700 1.00 74.11 H new ATOM 0 HB3 ALA A 16 -10.868 6.750 -29.007 1.00 74.11 H new ATOM 253 N LEU A 17 -8.730 6.101 -25.831 1.00 2.13 N ATOM 254 CA LEU A 17 -9.057 5.574 -24.517 1.00 32.31 C ATOM 255 C LEU A 17 -10.269 6.322 -23.959 1.00 55.12 C ATOM 256 O LEU A 17 -10.394 7.532 -24.141 1.00 50.22 O ATOM 257 CB LEU A 17 -7.832 5.618 -23.601 1.00 53.32 C ATOM 258 CG LEU A 17 -6.653 4.735 -24.015 1.00 12.23 C ATOM 259 CD1 LEU A 17 -5.405 5.069 -23.196 1.00 23.22 C ATOM 260 CD2 LEU A 17 -7.020 3.253 -23.923 1.00 22.42 C ATOM 0 H LEU A 17 -7.994 6.807 -25.836 1.00 2.13 H new ATOM 0 HA LEU A 17 -9.336 4.523 -24.588 1.00 32.31 H new ATOM 0 HB2 LEU A 17 -7.484 6.649 -23.541 1.00 53.32 H new ATOM 0 HB3 LEU A 17 -8.143 5.328 -22.597 1.00 53.32 H new ATOM 0 HG LEU A 17 -6.418 4.944 -25.059 1.00 12.23 H new ATOM 0 HD11 LEU A 17 -4.582 4.427 -23.510 1.00 23.22 H new ATOM 0 HD12 LEU A 17 -5.133 6.112 -23.356 1.00 23.22 H new ATOM 0 HD13 LEU A 17 -5.610 4.905 -22.138 1.00 23.22 H new ATOM 0 HD21 LEU A 17 -6.165 2.647 -24.223 1.00 22.42 H new ATOM 0 HD22 LEU A 17 -7.296 3.009 -22.897 1.00 22.42 H new ATOM 0 HD23 LEU A 17 -7.861 3.045 -24.584 1.00 22.42 H new ATOM 272 N THR A 18 -11.133 5.571 -23.291 1.00 65.01 N ATOM 273 CA THR A 18 -12.331 6.148 -22.706 1.00 4.24 C ATOM 274 C THR A 18 -12.457 5.738 -21.237 1.00 52.41 C ATOM 275 O THR A 18 -11.698 4.899 -20.755 1.00 41.14 O ATOM 276 CB THR A 18 -13.526 5.723 -23.560 1.00 53.33 C ATOM 277 OG1 THR A 18 -13.310 4.335 -23.795 1.00 24.44 O ATOM 278 CG2 THR A 18 -13.498 6.346 -24.958 1.00 20.23 C ATOM 0 H THR A 18 -11.027 4.568 -23.142 1.00 65.01 H new ATOM 0 HA THR A 18 -12.286 7.237 -22.705 1.00 4.24 H new ATOM 0 HB THR A 18 -14.450 6.004 -23.055 1.00 53.33 H new ATOM 0 HG1 THR A 18 -13.036 4.200 -24.726 1.00 24.44 H new ATOM 0 HG21 THR A 18 -14.368 6.012 -25.523 1.00 20.23 H new ATOM 0 HG22 THR A 18 -13.516 7.432 -24.873 1.00 20.23 H new ATOM 0 HG23 THR A 18 -12.589 6.038 -25.475 1.00 20.23 H new ATOM 286 N VAL A 19 -13.422 6.350 -20.566 1.00 74.14 N ATOM 287 CA VAL A 19 -13.658 6.059 -19.162 1.00 52.14 C ATOM 288 C VAL A 19 -14.400 4.727 -19.040 1.00 34.24 C ATOM 289 O VAL A 19 -14.463 4.144 -17.958 1.00 1.40 O ATOM 290 CB VAL A 19 -14.405 7.222 -18.505 1.00 43.04 C ATOM 291 CG1 VAL A 19 -15.918 7.059 -18.660 1.00 50.53 C ATOM 292 CG2 VAL A 19 -14.016 7.360 -17.032 1.00 41.51 C ATOM 0 H VAL A 19 -14.049 7.046 -20.969 1.00 74.14 H new ATOM 0 HA VAL A 19 -12.713 5.955 -18.629 1.00 52.14 H new ATOM 0 HB VAL A 19 -14.113 8.140 -19.016 1.00 43.04 H new ATOM 0 HG11 VAL A 19 -16.425 7.899 -18.184 1.00 50.53 H new ATOM 0 HG12 VAL A 19 -16.175 7.033 -19.719 1.00 50.53 H new ATOM 0 HG13 VAL A 19 -16.234 6.129 -18.187 1.00 50.53 H new ATOM 0 HG21 VAL A 19 -14.561 8.193 -16.588 1.00 41.51 H new ATOM 0 HG22 VAL A 19 -14.265 6.441 -16.502 1.00 41.51 H new ATOM 0 HG23 VAL A 19 -12.945 7.544 -16.954 1.00 41.51 H new ATOM 302 N GLY A 20 -14.944 4.283 -20.163 1.00 52.23 N ATOM 303 CA GLY A 20 -15.680 3.030 -20.195 1.00 45.42 C ATOM 304 C GLY A 20 -14.833 1.913 -20.809 1.00 53.34 C ATOM 305 O GLY A 20 -15.343 0.833 -21.103 1.00 54.20 O ATOM 0 H GLY A 20 -14.890 4.769 -21.058 1.00 52.23 H new ATOM 0 HA2 GLY A 20 -15.977 2.752 -19.184 1.00 45.42 H new ATOM 0 HA3 GLY A 20 -16.596 3.156 -20.773 1.00 45.42 H new ATOM 309 N MET A 21 -13.555 2.212 -20.985 1.00 64.14 N ATOM 310 CA MET A 21 -12.633 1.246 -21.559 1.00 43.33 C ATOM 311 C MET A 21 -11.548 0.858 -20.552 1.00 41.44 C ATOM 312 O MET A 21 -11.079 -0.279 -20.547 1.00 14.13 O ATOM 313 CB MET A 21 -11.981 1.843 -22.808 1.00 64.22 C ATOM 314 CG MET A 21 -12.733 1.424 -24.073 1.00 13.22 C ATOM 315 SD MET A 21 -11.576 1.093 -25.391 1.00 0.42 S ATOM 316 CE MET A 21 -10.449 2.459 -25.163 1.00 62.35 C ATOM 0 H MET A 21 -13.136 3.109 -20.741 1.00 64.14 H new ATOM 0 HA MET A 21 -13.193 0.349 -21.824 1.00 43.33 H new ATOM 0 HB2 MET A 21 -11.968 2.930 -22.732 1.00 64.22 H new ATOM 0 HB3 MET A 21 -10.943 1.516 -22.872 1.00 64.22 H new ATOM 0 HG2 MET A 21 -13.332 0.536 -23.872 1.00 13.22 H new ATOM 0 HG3 MET A 21 -13.423 2.212 -24.373 1.00 13.22 H new ATOM 0 HE1 MET A 21 -9.834 2.577 -26.056 1.00 62.35 H new ATOM 0 HE2 MET A 21 -11.016 3.374 -24.990 1.00 62.35 H new ATOM 0 HE3 MET A 21 -9.807 2.262 -24.304 1.00 62.35 H new ATOM 326 N MET A 22 -11.180 1.826 -19.725 1.00 72.30 N ATOM 327 CA MET A 22 -10.159 1.600 -18.716 1.00 74.40 C ATOM 328 C MET A 22 -10.791 1.281 -17.359 1.00 44.11 C ATOM 329 O MET A 22 -12.010 1.333 -17.211 1.00 35.35 O ATOM 330 CB MET A 22 -9.281 2.846 -18.591 1.00 24.34 C ATOM 331 CG MET A 22 -8.453 3.063 -19.859 1.00 21.20 C ATOM 332 SD MET A 22 -7.714 4.687 -19.835 1.00 5.31 S ATOM 333 CE MET A 22 -9.136 5.682 -20.251 1.00 34.35 C ATOM 0 H MET A 22 -11.571 2.768 -19.733 1.00 72.30 H new ATOM 0 HA MET A 22 -9.553 0.747 -19.023 1.00 74.40 H new ATOM 0 HB2 MET A 22 -9.907 3.719 -18.407 1.00 24.34 H new ATOM 0 HB3 MET A 22 -8.618 2.743 -17.732 1.00 24.34 H new ATOM 0 HG2 MET A 22 -7.676 2.302 -19.930 1.00 21.20 H new ATOM 0 HG3 MET A 22 -9.086 2.956 -20.740 1.00 21.20 H new ATOM 0 HE1 MET A 22 -8.814 6.696 -20.488 1.00 34.35 H new ATOM 0 HE2 MET A 22 -9.642 5.251 -21.115 1.00 34.35 H new ATOM 0 HE3 MET A 22 -9.822 5.708 -19.404 1.00 34.35 H new ATOM 343 N THR A 23 -9.931 0.959 -16.404 1.00 32.23 N ATOM 344 CA THR A 23 -10.389 0.632 -15.064 1.00 73.11 C ATOM 345 C THR A 23 -9.218 0.654 -14.080 1.00 33.22 C ATOM 346 O THR A 23 -8.061 0.734 -14.488 1.00 62.22 O ATOM 347 CB THR A 23 -11.106 -0.718 -15.126 1.00 20.41 C ATOM 348 OG1 THR A 23 -12.046 -0.662 -14.057 1.00 15.41 O ATOM 349 CG2 THR A 23 -10.189 -1.886 -14.754 1.00 12.52 C ATOM 0 H THR A 23 -8.920 0.918 -16.531 1.00 32.23 H new ATOM 0 HA THR A 23 -11.096 1.375 -14.695 1.00 73.11 H new ATOM 0 HB THR A 23 -11.502 -0.872 -16.130 1.00 20.41 H new ATOM 0 HG1 THR A 23 -12.556 -1.498 -14.026 1.00 15.41 H new ATOM 0 HG21 THR A 23 -10.747 -2.820 -14.814 1.00 12.52 H new ATOM 0 HG22 THR A 23 -9.347 -1.922 -15.445 1.00 12.52 H new ATOM 0 HG23 THR A 23 -9.819 -1.749 -13.738 1.00 12.52 H new ATOM 357 N THR A 24 -9.560 0.581 -12.802 1.00 2.33 N ATOM 358 CA THR A 24 -8.551 0.592 -11.756 1.00 31.22 C ATOM 359 C THR A 24 -8.489 -0.770 -11.061 1.00 62.04 C ATOM 360 O THR A 24 -9.518 -1.319 -10.669 1.00 44.44 O ATOM 361 CB THR A 24 -8.870 1.746 -10.803 1.00 61.31 C ATOM 362 OG1 THR A 24 -10.180 1.451 -10.327 1.00 20.45 O ATOM 363 CG2 THR A 24 -9.031 3.081 -11.533 1.00 71.54 C ATOM 0 H THR A 24 -10.521 0.514 -12.467 1.00 2.33 H new ATOM 0 HA THR A 24 -7.556 0.758 -12.168 1.00 31.22 H new ATOM 0 HB THR A 24 -8.078 1.832 -10.060 1.00 61.31 H new ATOM 0 HG1 THR A 24 -10.169 1.403 -9.348 1.00 20.45 H new ATOM 0 HG21 THR A 24 -9.256 3.866 -10.811 1.00 71.54 H new ATOM 0 HG22 THR A 24 -8.106 3.324 -12.056 1.00 71.54 H new ATOM 0 HG23 THR A 24 -9.846 3.006 -12.253 1.00 71.54 H new ATOM 371 N ARG A 25 -7.272 -1.276 -10.930 1.00 64.42 N ATOM 372 CA ARG A 25 -7.062 -2.564 -10.290 1.00 5.31 C ATOM 373 C ARG A 25 -5.616 -2.685 -9.804 1.00 62.31 C ATOM 374 O ARG A 25 -4.701 -2.144 -10.423 1.00 55.44 O ATOM 375 CB ARG A 25 -7.368 -3.714 -11.251 1.00 44.35 C ATOM 376 CG ARG A 25 -8.499 -4.592 -10.714 1.00 12.25 C ATOM 377 CD ARG A 25 -9.743 -4.487 -11.599 1.00 64.31 C ATOM 378 NE ARG A 25 -10.294 -5.836 -11.859 1.00 22.03 N ATOM 379 CZ ARG A 25 -11.568 -6.073 -12.235 1.00 34.20 C ATOM 380 NH1 ARG A 25 -12.436 -5.052 -12.399 1.00 3.21 N ATOM 381 NH2 ARG A 25 -11.954 -7.319 -12.440 1.00 1.10 N ATOM 0 H ARG A 25 -6.421 -0.818 -11.256 1.00 64.42 H new ATOM 0 HA ARG A 25 -7.742 -2.627 -9.440 1.00 5.31 H new ATOM 0 HB2 ARG A 25 -7.646 -3.314 -12.226 1.00 44.35 H new ATOM 0 HB3 ARG A 25 -6.473 -4.318 -11.398 1.00 44.35 H new ATOM 0 HG2 ARG A 25 -8.168 -5.629 -10.668 1.00 12.25 H new ATOM 0 HG3 ARG A 25 -8.746 -4.291 -9.696 1.00 12.25 H new ATOM 0 HD2 ARG A 25 -10.495 -3.866 -11.112 1.00 64.31 H new ATOM 0 HD3 ARG A 25 -9.489 -4.001 -12.541 1.00 64.31 H new ATOM 0 HE ARG A 25 -9.672 -6.636 -11.747 1.00 22.03 H new ATOM 0 HH11 ARG A 25 -12.131 -4.092 -12.238 1.00 3.21 H new ATOM 0 HH12 ARG A 25 -13.397 -5.240 -12.683 1.00 3.21 H new ATOM 0 HH21 ARG A 25 -11.293 -8.085 -12.314 1.00 1.10 H new ATOM 0 HH22 ARG A 25 -12.914 -7.515 -12.725 1.00 1.10 H new ATOM 394 N VAL A 26 -5.454 -3.400 -8.700 1.00 52.12 N ATOM 395 CA VAL A 26 -4.135 -3.599 -8.124 1.00 72.52 C ATOM 396 C VAL A 26 -3.420 -4.724 -8.876 1.00 41.31 C ATOM 397 O VAL A 26 -3.394 -5.864 -8.417 1.00 34.44 O ATOM 398 CB VAL A 26 -4.255 -3.866 -6.622 1.00 62.44 C ATOM 399 CG1 VAL A 26 -2.875 -3.912 -5.962 1.00 75.31 C ATOM 400 CG2 VAL A 26 -5.150 -2.824 -5.950 1.00 34.01 C ATOM 0 H VAL A 26 -6.215 -3.849 -8.189 1.00 52.12 H new ATOM 0 HA VAL A 26 -3.530 -2.699 -8.233 1.00 72.52 H new ATOM 0 HB VAL A 26 -4.722 -4.842 -6.491 1.00 62.44 H new ATOM 0 HG11 VAL A 26 -2.988 -4.103 -4.895 1.00 75.31 H new ATOM 0 HG12 VAL A 26 -2.283 -4.708 -6.412 1.00 75.31 H new ATOM 0 HG13 VAL A 26 -2.370 -2.957 -6.108 1.00 75.31 H new ATOM 0 HG21 VAL A 26 -5.218 -3.037 -4.883 1.00 34.01 H new ATOM 0 HG22 VAL A 26 -4.725 -1.831 -6.095 1.00 34.01 H new ATOM 0 HG23 VAL A 26 -6.146 -2.860 -6.392 1.00 34.01 H new ATOM 410 N VAL A 27 -2.856 -4.362 -10.020 1.00 34.55 N ATOM 411 CA VAL A 27 -2.143 -5.327 -10.840 1.00 3.44 C ATOM 412 C VAL A 27 -0.638 -5.072 -10.725 1.00 73.14 C ATOM 413 O VAL A 27 -0.216 -3.975 -10.364 1.00 54.42 O ATOM 414 CB VAL A 27 -2.652 -5.266 -12.281 1.00 44.22 C ATOM 415 CG1 VAL A 27 -4.180 -5.226 -12.322 1.00 35.13 C ATOM 416 CG2 VAL A 27 -2.052 -4.070 -13.024 1.00 70.43 C ATOM 0 H VAL A 27 -2.879 -3.415 -10.398 1.00 34.55 H new ATOM 0 HA VAL A 27 -2.329 -6.341 -10.487 1.00 3.44 H new ATOM 0 HB VAL A 27 -2.327 -6.174 -12.789 1.00 44.22 H new ATOM 0 HG11 VAL A 27 -4.515 -5.183 -13.358 1.00 35.13 H new ATOM 0 HG12 VAL A 27 -4.580 -6.122 -11.848 1.00 35.13 H new ATOM 0 HG13 VAL A 27 -4.535 -4.344 -11.789 1.00 35.13 H new ATOM 0 HG21 VAL A 27 -2.430 -4.050 -14.046 1.00 70.43 H new ATOM 0 HG22 VAL A 27 -2.332 -3.148 -12.515 1.00 70.43 H new ATOM 0 HG23 VAL A 27 -0.966 -4.160 -13.041 1.00 70.43 H new ATOM 426 N SER A 28 0.130 -6.105 -11.040 1.00 53.21 N ATOM 427 CA SER A 28 1.578 -6.007 -10.977 1.00 41.14 C ATOM 428 C SER A 28 2.192 -6.469 -12.301 1.00 34.03 C ATOM 429 O SER A 28 1.779 -7.484 -12.859 1.00 64.42 O ATOM 430 CB SER A 28 2.136 -6.833 -9.817 1.00 1.33 C ATOM 431 OG SER A 28 3.450 -6.419 -9.450 1.00 73.13 O ATOM 0 H SER A 28 -0.224 -7.014 -11.340 1.00 53.21 H new ATOM 0 HA SER A 28 1.843 -4.964 -10.805 1.00 41.14 H new ATOM 0 HB2 SER A 28 1.474 -6.743 -8.956 1.00 1.33 H new ATOM 0 HB3 SER A 28 2.153 -7.886 -10.097 1.00 1.33 H new ATOM 0 HG SER A 28 3.770 -6.969 -8.705 1.00 73.13 H new ATOM 437 N PRO A 29 3.193 -5.681 -12.776 1.00 54.23 N ATOM 438 CA PRO A 29 3.620 -4.496 -12.053 1.00 10.44 C ATOM 439 C PRO A 29 2.605 -3.361 -12.210 1.00 62.31 C ATOM 440 O PRO A 29 1.880 -3.306 -13.202 1.00 42.52 O ATOM 441 CB PRO A 29 4.985 -4.155 -12.627 1.00 4.02 C ATOM 442 CG PRO A 29 5.068 -4.877 -13.962 1.00 22.43 C ATOM 443 CD PRO A 29 3.941 -5.896 -14.011 1.00 25.30 C ATOM 0 HA PRO A 29 3.685 -4.661 -10.977 1.00 10.44 H new ATOM 0 HB2 PRO A 29 5.096 -3.079 -12.758 1.00 4.02 H new ATOM 0 HB3 PRO A 29 5.782 -4.479 -11.958 1.00 4.02 H new ATOM 0 HG2 PRO A 29 4.978 -4.169 -14.785 1.00 22.43 H new ATOM 0 HG3 PRO A 29 6.034 -5.370 -14.070 1.00 22.43 H new ATOM 0 HD2 PRO A 29 3.310 -5.747 -14.887 1.00 25.30 H new ATOM 0 HD3 PRO A 29 4.329 -6.913 -14.067 1.00 25.30 H new ATOM 451 N THR A 30 2.586 -2.485 -11.217 1.00 23.04 N ATOM 452 CA THR A 30 1.673 -1.355 -11.232 1.00 74.34 C ATOM 453 C THR A 30 2.040 -0.388 -12.359 1.00 43.12 C ATOM 454 O THR A 30 3.142 0.159 -12.378 1.00 61.43 O ATOM 455 CB THR A 30 1.695 -0.710 -9.846 1.00 2.54 C ATOM 456 OG1 THR A 30 3.078 -0.664 -9.506 1.00 44.03 O ATOM 457 CG2 THR A 30 1.078 -1.607 -8.772 1.00 35.35 C ATOM 0 H THR A 30 3.189 -2.535 -10.396 1.00 23.04 H new ATOM 0 HA THR A 30 0.652 -1.675 -11.440 1.00 74.34 H new ATOM 0 HB THR A 30 1.158 0.238 -9.879 1.00 2.54 H new ATOM 0 HG1 THR A 30 3.586 -0.284 -10.253 1.00 44.03 H new ATOM 0 HG21 THR A 30 1.119 -1.101 -7.807 1.00 35.35 H new ATOM 0 HG22 THR A 30 0.039 -1.818 -9.027 1.00 35.35 H new ATOM 0 HG23 THR A 30 1.635 -2.542 -8.715 1.00 35.35 H new ATOM 465 N GLY A 31 1.096 -0.206 -13.271 1.00 3.31 N ATOM 466 CA GLY A 31 1.307 0.686 -14.398 1.00 40.34 C ATOM 467 C GLY A 31 0.723 2.072 -14.117 1.00 44.55 C ATOM 468 O GLY A 31 0.682 2.511 -12.969 1.00 54.32 O ATOM 0 H GLY A 31 0.183 -0.661 -13.252 1.00 3.31 H new ATOM 0 HA2 GLY A 31 2.374 0.772 -14.604 1.00 40.34 H new ATOM 0 HA3 GLY A 31 0.843 0.266 -15.291 1.00 40.34 H new ATOM 472 N ILE A 32 0.287 2.723 -15.186 1.00 3.41 N ATOM 473 CA ILE A 32 -0.292 4.051 -15.069 1.00 32.22 C ATOM 474 C ILE A 32 -1.214 4.094 -13.848 1.00 41.34 C ATOM 475 O ILE A 32 -1.912 3.124 -13.558 1.00 63.10 O ATOM 476 CB ILE A 32 -0.981 4.452 -16.375 1.00 34.34 C ATOM 477 CG1 ILE A 32 0.024 4.521 -17.526 1.00 52.51 C ATOM 478 CG2 ILE A 32 -1.753 5.762 -16.207 1.00 53.13 C ATOM 479 CD1 ILE A 32 -0.671 4.317 -18.874 1.00 32.33 C ATOM 0 H ILE A 32 0.323 2.356 -16.137 1.00 3.41 H new ATOM 0 HA ILE A 32 0.488 4.795 -14.906 1.00 32.22 H new ATOM 0 HB ILE A 32 -1.708 3.681 -16.629 1.00 34.34 H new ATOM 0 HG12 ILE A 32 0.529 5.487 -17.516 1.00 52.51 H new ATOM 0 HG13 ILE A 32 0.791 3.759 -17.390 1.00 52.51 H new ATOM 0 HG21 ILE A 32 -2.233 6.025 -17.150 1.00 53.13 H new ATOM 0 HG22 ILE A 32 -2.512 5.640 -15.434 1.00 53.13 H new ATOM 0 HG23 ILE A 32 -1.064 6.556 -15.917 1.00 53.13 H new ATOM 0 HD11 ILE A 32 0.066 4.371 -19.675 1.00 32.33 H new ATOM 0 HD12 ILE A 32 -1.154 3.340 -18.890 1.00 32.33 H new ATOM 0 HD13 ILE A 32 -1.421 5.095 -19.018 1.00 32.33 H new ATOM 491 N PRO A 33 -1.186 5.260 -13.148 1.00 71.04 N ATOM 492 CA PRO A 33 -2.010 5.443 -11.966 1.00 35.20 C ATOM 493 C PRO A 33 -3.475 5.667 -12.348 1.00 30.21 C ATOM 494 O PRO A 33 -3.766 6.232 -13.401 1.00 12.33 O ATOM 495 CB PRO A 33 -1.398 6.629 -11.239 1.00 31.31 C ATOM 496 CG PRO A 33 -0.546 7.354 -12.268 1.00 24.53 C ATOM 497 CD PRO A 33 -0.372 6.430 -13.463 1.00 11.52 C ATOM 0 HA PRO A 33 -2.024 4.563 -11.323 1.00 35.20 H new ATOM 0 HB2 PRO A 33 -2.172 7.285 -10.841 1.00 31.31 H new ATOM 0 HB3 PRO A 33 -0.794 6.300 -10.394 1.00 31.31 H new ATOM 0 HG2 PRO A 33 -1.024 8.285 -12.572 1.00 24.53 H new ATOM 0 HG3 PRO A 33 0.423 7.617 -11.844 1.00 24.53 H new ATOM 0 HD2 PRO A 33 -0.705 6.908 -14.385 1.00 11.52 H new ATOM 0 HD3 PRO A 33 0.674 6.158 -13.605 1.00 11.52 H new ATOM 505 N ALA A 34 -4.358 5.212 -11.471 1.00 72.13 N ATOM 506 CA ALA A 34 -5.785 5.356 -11.703 1.00 74.33 C ATOM 507 C ALA A 34 -6.145 6.843 -11.739 1.00 24.53 C ATOM 508 O ALA A 34 -7.226 7.213 -12.193 1.00 62.14 O ATOM 509 CB ALA A 34 -6.557 4.595 -10.624 1.00 35.24 C ATOM 0 H ALA A 34 -4.113 4.744 -10.599 1.00 72.13 H new ATOM 0 HA ALA A 34 -6.062 4.927 -12.666 1.00 74.33 H new ATOM 0 HB1 ALA A 34 -7.628 4.703 -10.798 1.00 35.24 H new ATOM 0 HB2 ALA A 34 -6.288 3.539 -10.660 1.00 35.24 H new ATOM 0 HB3 ALA A 34 -6.306 5.000 -9.643 1.00 35.24 H new ATOM 515 N GLU A 35 -5.217 7.654 -11.253 1.00 11.42 N ATOM 516 CA GLU A 35 -5.422 9.093 -11.223 1.00 75.51 C ATOM 517 C GLU A 35 -5.184 9.692 -12.611 1.00 33.53 C ATOM 518 O GLU A 35 -5.427 10.878 -12.829 1.00 24.45 O ATOM 519 CB GLU A 35 -4.521 9.754 -10.178 1.00 70.45 C ATOM 520 CG GLU A 35 -3.101 9.936 -10.717 1.00 5.32 C ATOM 521 CD GLU A 35 -2.084 9.987 -9.575 1.00 3.43 C ATOM 522 OE1 GLU A 35 -0.876 10.117 -9.825 1.00 12.30 O ATOM 523 OE2 GLU A 35 -2.588 9.888 -8.391 1.00 44.03 O ATOM 0 H GLU A 35 -4.321 7.343 -10.877 1.00 11.42 H new ATOM 0 HA GLU A 35 -6.456 9.287 -10.937 1.00 75.51 H new ATOM 0 HB2 GLU A 35 -4.934 10.723 -9.896 1.00 70.45 H new ATOM 0 HB3 GLU A 35 -4.496 9.144 -9.275 1.00 70.45 H new ATOM 0 HG2 GLU A 35 -2.856 9.115 -11.391 1.00 5.32 H new ATOM 0 HG3 GLU A 35 -3.045 10.855 -11.300 1.00 5.32 H new ATOM 531 N ASP A 36 -4.713 8.844 -13.513 1.00 63.21 N ATOM 532 CA ASP A 36 -4.439 9.275 -14.874 1.00 32.44 C ATOM 533 C ASP A 36 -5.518 8.721 -15.806 1.00 73.40 C ATOM 534 O ASP A 36 -5.513 9.001 -17.004 1.00 2.54 O ATOM 535 CB ASP A 36 -3.084 8.752 -15.355 1.00 34.30 C ATOM 536 CG ASP A 36 -1.868 9.408 -14.699 1.00 62.20 C ATOM 537 OD1 ASP A 36 -0.726 9.229 -15.148 1.00 61.22 O ATOM 538 OD2 ASP A 36 -2.132 10.140 -13.670 1.00 23.40 O ATOM 0 H ASP A 36 -4.514 7.861 -13.329 1.00 63.21 H new ATOM 0 HA ASP A 36 -4.430 10.365 -14.888 1.00 32.44 H new ATOM 0 HB2 ASP A 36 -3.041 7.678 -15.173 1.00 34.30 H new ATOM 0 HB3 ASP A 36 -3.018 8.896 -16.433 1.00 34.30 H new ATOM 544 N ILE A 37 -6.418 7.944 -15.222 1.00 32.44 N ATOM 545 CA ILE A 37 -7.501 7.348 -15.985 1.00 74.32 C ATOM 546 C ILE A 37 -8.229 8.442 -16.769 1.00 63.45 C ATOM 547 O ILE A 37 -8.478 8.292 -17.965 1.00 3.43 O ATOM 548 CB ILE A 37 -8.418 6.534 -15.069 1.00 54.43 C ATOM 549 CG1 ILE A 37 -7.954 5.079 -14.981 1.00 11.23 C ATOM 550 CG2 ILE A 37 -9.877 6.644 -15.517 1.00 14.43 C ATOM 551 CD1 ILE A 37 -9.029 4.199 -14.339 1.00 5.11 C ATOM 0 H ILE A 37 -6.419 7.713 -14.228 1.00 32.44 H new ATOM 0 HA ILE A 37 -7.108 6.640 -16.715 1.00 74.32 H new ATOM 0 HB ILE A 37 -8.357 6.953 -14.064 1.00 54.43 H new ATOM 0 HG12 ILE A 37 -7.722 4.706 -15.979 1.00 11.23 H new ATOM 0 HG13 ILE A 37 -7.035 5.021 -14.397 1.00 11.23 H new ATOM 0 HG21 ILE A 37 -10.508 6.057 -14.850 1.00 14.43 H new ATOM 0 HG22 ILE A 37 -10.189 7.688 -15.486 1.00 14.43 H new ATOM 0 HG23 ILE A 37 -9.975 6.266 -16.535 1.00 14.43 H new ATOM 0 HD11 ILE A 37 -8.674 3.170 -14.288 1.00 5.11 H new ATOM 0 HD12 ILE A 37 -9.241 4.560 -13.333 1.00 5.11 H new ATOM 0 HD13 ILE A 37 -9.939 4.240 -14.938 1.00 5.11 H new ATOM 563 N PRO A 38 -8.558 9.545 -16.046 1.00 45.42 N ATOM 564 CA PRO A 38 -9.251 10.664 -16.661 1.00 73.04 C ATOM 565 C PRO A 38 -8.303 11.481 -17.541 1.00 63.33 C ATOM 566 O PRO A 38 -8.732 12.402 -18.234 1.00 43.20 O ATOM 567 CB PRO A 38 -9.819 11.462 -15.499 1.00 43.41 C ATOM 568 CG PRO A 38 -9.035 11.026 -14.272 1.00 32.12 C ATOM 569 CD PRO A 38 -8.279 9.757 -14.629 1.00 24.02 C ATOM 0 HA PRO A 38 -10.046 10.346 -17.335 1.00 73.04 H new ATOM 0 HB2 PRO A 38 -9.712 12.533 -15.671 1.00 43.41 H new ATOM 0 HB3 PRO A 38 -10.884 11.265 -15.373 1.00 43.41 H new ATOM 0 HG2 PRO A 38 -8.342 11.809 -13.963 1.00 32.12 H new ATOM 0 HG3 PRO A 38 -9.707 10.847 -13.433 1.00 32.12 H new ATOM 0 HD2 PRO A 38 -7.210 9.869 -14.448 1.00 24.02 H new ATOM 0 HD3 PRO A 38 -8.617 8.913 -14.028 1.00 24.02 H new ATOM 577 N ARG A 39 -7.031 11.113 -17.485 1.00 71.03 N ATOM 578 CA ARG A 39 -6.018 11.800 -18.269 1.00 32.24 C ATOM 579 C ARG A 39 -5.733 11.030 -19.559 1.00 64.54 C ATOM 580 O ARG A 39 -5.335 11.619 -20.563 1.00 25.10 O ATOM 581 CB ARG A 39 -4.719 11.953 -17.476 1.00 23.42 C ATOM 582 CG ARG A 39 -4.750 13.213 -16.608 1.00 75.35 C ATOM 583 CD ARG A 39 -3.646 13.178 -15.550 1.00 34.42 C ATOM 584 NE ARG A 39 -2.419 13.814 -16.077 1.00 40.33 N ATOM 585 CZ ARG A 39 -1.518 13.186 -16.863 1.00 13.42 C ATOM 586 NH1 ARG A 39 -1.701 11.897 -17.219 1.00 3.10 N ATOM 587 NH2 ARG A 39 -0.456 13.852 -17.277 1.00 54.13 N ATOM 0 H ARG A 39 -6.679 10.348 -16.909 1.00 71.03 H new ATOM 0 HA ARG A 39 -6.401 12.791 -18.511 1.00 32.24 H new ATOM 0 HB2 ARG A 39 -4.569 11.077 -16.846 1.00 23.42 H new ATOM 0 HB3 ARG A 39 -3.874 12.001 -18.162 1.00 23.42 H new ATOM 0 HG2 ARG A 39 -4.628 14.095 -17.237 1.00 75.35 H new ATOM 0 HG3 ARG A 39 -5.722 13.300 -16.122 1.00 75.35 H new ATOM 0 HD2 ARG A 39 -3.977 13.697 -14.650 1.00 34.42 H new ATOM 0 HD3 ARG A 39 -3.437 12.147 -15.265 1.00 34.42 H new ATOM 0 HE ARG A 39 -2.242 14.788 -15.831 1.00 40.33 H new ATOM 0 HH11 ARG A 39 -2.524 11.390 -16.894 1.00 3.10 H new ATOM 0 HH12 ARG A 39 -1.016 11.430 -17.813 1.00 3.10 H new ATOM 0 HH21 ARG A 39 -0.326 14.826 -17.003 1.00 54.13 H new ATOM 0 HH22 ARG A 39 0.234 13.393 -17.871 1.00 54.13 H new ATOM 600 N LEU A 40 -5.947 9.724 -19.491 1.00 70.14 N ATOM 601 CA LEU A 40 -5.718 8.867 -20.642 1.00 64.11 C ATOM 602 C LEU A 40 -6.862 9.045 -21.641 1.00 74.15 C ATOM 603 O LEU A 40 -6.692 8.803 -22.835 1.00 72.44 O ATOM 604 CB LEU A 40 -5.509 7.418 -20.198 1.00 21.32 C ATOM 605 CG LEU A 40 -4.330 7.169 -19.254 1.00 75.42 C ATOM 606 CD1 LEU A 40 -4.491 5.838 -18.516 1.00 11.41 C ATOM 607 CD2 LEU A 40 -3.000 7.250 -20.005 1.00 40.32 C ATOM 0 H LEU A 40 -6.277 9.239 -18.657 1.00 70.14 H new ATOM 0 HA LEU A 40 -4.800 9.155 -21.154 1.00 64.11 H new ATOM 0 HB2 LEU A 40 -6.420 7.074 -19.708 1.00 21.32 H new ATOM 0 HB3 LEU A 40 -5.373 6.802 -21.087 1.00 21.32 H new ATOM 0 HG LEU A 40 -4.323 7.957 -18.501 1.00 75.42 H new ATOM 0 HD11 LEU A 40 -3.640 5.685 -17.852 1.00 11.41 H new ATOM 0 HD12 LEU A 40 -5.410 5.856 -17.930 1.00 11.41 H new ATOM 0 HD13 LEU A 40 -4.537 5.024 -19.240 1.00 11.41 H new ATOM 0 HD21 LEU A 40 -2.179 7.069 -19.311 1.00 40.32 H new ATOM 0 HD22 LEU A 40 -2.981 6.498 -20.794 1.00 40.32 H new ATOM 0 HD23 LEU A 40 -2.891 8.241 -20.446 1.00 40.32 H new ATOM 619 N ILE A 41 -8.003 9.467 -21.117 1.00 33.24 N ATOM 620 CA ILE A 41 -9.176 9.680 -21.948 1.00 1.13 C ATOM 621 C ILE A 41 -8.810 10.606 -23.110 1.00 35.03 C ATOM 622 O ILE A 41 -8.127 11.610 -22.917 1.00 24.13 O ATOM 623 CB ILE A 41 -10.347 10.186 -21.103 1.00 3.32 C ATOM 624 CG1 ILE A 41 -10.603 9.262 -19.911 1.00 22.31 C ATOM 625 CG2 ILE A 41 -11.600 10.377 -21.960 1.00 64.21 C ATOM 626 CD1 ILE A 41 -12.045 9.390 -19.418 1.00 34.04 C ATOM 0 H ILE A 41 -8.140 9.667 -20.126 1.00 33.24 H new ATOM 0 HA ILE A 41 -9.511 8.739 -22.383 1.00 1.13 H new ATOM 0 HB ILE A 41 -10.080 11.163 -20.701 1.00 3.32 H new ATOM 0 HG12 ILE A 41 -10.403 8.229 -20.197 1.00 22.31 H new ATOM 0 HG13 ILE A 41 -9.915 9.507 -19.102 1.00 22.31 H new ATOM 0 HG21 ILE A 41 -12.417 10.737 -21.335 1.00 64.21 H new ATOM 0 HG22 ILE A 41 -11.396 11.105 -22.745 1.00 64.21 H new ATOM 0 HG23 ILE A 41 -11.881 9.425 -22.411 1.00 64.21 H new ATOM 0 HD11 ILE A 41 -12.200 8.723 -18.570 1.00 34.04 H new ATOM 0 HD12 ILE A 41 -12.234 10.418 -19.110 1.00 34.04 H new ATOM 0 HD13 ILE A 41 -12.730 9.120 -20.222 1.00 34.04 H new ATOM 638 N SER A 42 -9.283 10.235 -24.291 1.00 3.32 N ATOM 639 CA SER A 42 -9.014 11.020 -25.484 1.00 12.11 C ATOM 640 C SER A 42 -7.661 10.624 -26.077 1.00 44.00 C ATOM 641 O SER A 42 -7.330 11.016 -27.195 1.00 51.11 O ATOM 642 CB SER A 42 -9.041 12.518 -25.175 1.00 44.31 C ATOM 643 OG SER A 42 -9.457 13.288 -26.300 1.00 30.11 O ATOM 0 H SER A 42 -9.850 9.402 -24.447 1.00 3.32 H new ATOM 0 HA SER A 42 -9.797 10.813 -26.213 1.00 12.11 H new ATOM 0 HB2 SER A 42 -9.716 12.704 -24.339 1.00 44.31 H new ATOM 0 HB3 SER A 42 -8.048 12.841 -24.861 1.00 44.31 H new ATOM 0 HG SER A 42 -9.463 14.239 -26.062 1.00 30.11 H new ATOM 649 N MET A 43 -6.914 9.852 -25.301 1.00 61.25 N ATOM 650 CA MET A 43 -5.604 9.398 -25.736 1.00 44.40 C ATOM 651 C MET A 43 -5.663 7.957 -26.245 1.00 73.24 C ATOM 652 O MET A 43 -6.181 7.074 -25.563 1.00 12.44 O ATOM 653 CB MET A 43 -4.619 9.487 -24.568 1.00 73.01 C ATOM 654 CG MET A 43 -4.798 10.797 -23.799 1.00 12.34 C ATOM 655 SD MET A 43 -3.229 11.341 -23.145 1.00 64.23 S ATOM 656 CE MET A 43 -2.474 9.761 -22.797 1.00 11.12 C ATOM 0 H MET A 43 -7.191 9.530 -24.374 1.00 61.25 H new ATOM 0 HA MET A 43 -5.272 10.038 -26.553 1.00 44.40 H new ATOM 0 HB2 MET A 43 -4.770 8.643 -23.895 1.00 73.01 H new ATOM 0 HB3 MET A 43 -3.598 9.418 -24.943 1.00 73.01 H new ATOM 0 HG2 MET A 43 -5.211 11.561 -24.457 1.00 12.34 H new ATOM 0 HG3 MET A 43 -5.511 10.657 -22.986 1.00 12.34 H new ATOM 0 HE1 MET A 43 -1.833 9.849 -21.920 1.00 11.12 H new ATOM 0 HE2 MET A 43 -3.251 9.021 -22.606 1.00 11.12 H new ATOM 0 HE3 MET A 43 -1.876 9.447 -23.653 1.00 11.12 H new ATOM 666 N GLN A 44 -5.126 7.763 -27.441 1.00 20.43 N ATOM 667 CA GLN A 44 -5.112 6.443 -28.049 1.00 44.34 C ATOM 668 C GLN A 44 -3.882 5.659 -27.587 1.00 34.54 C ATOM 669 O GLN A 44 -2.893 6.247 -27.153 1.00 61.14 O ATOM 670 CB GLN A 44 -5.156 6.543 -29.575 1.00 42.05 C ATOM 671 CG GLN A 44 -6.281 7.474 -30.032 1.00 4.52 C ATOM 672 CD GLN A 44 -5.962 8.091 -31.395 1.00 53.43 C ATOM 673 OE1 GLN A 44 -5.469 9.202 -31.503 1.00 50.10 O ATOM 674 NE2 GLN A 44 -6.271 7.311 -32.427 1.00 41.44 N ATOM 0 H GLN A 44 -4.698 8.497 -28.005 1.00 20.43 H new ATOM 0 HA GLN A 44 -6.004 5.906 -27.726 1.00 44.34 H new ATOM 0 HB2 GLN A 44 -4.200 6.912 -29.946 1.00 42.05 H new ATOM 0 HB3 GLN A 44 -5.303 5.552 -30.004 1.00 42.05 H new ATOM 0 HG2 GLN A 44 -7.217 6.918 -30.090 1.00 4.52 H new ATOM 0 HG3 GLN A 44 -6.425 8.265 -29.296 1.00 4.52 H new ATOM 0 HE21 GLN A 44 -6.682 6.391 -32.266 1.00 41.44 H new ATOM 0 HE22 GLN A 44 -6.097 7.633 -33.379 1.00 41.44 H new ATOM 683 N VAL A 45 -3.985 4.342 -27.694 1.00 54.02 N ATOM 684 CA VAL A 45 -2.894 3.471 -27.292 1.00 74.41 C ATOM 685 C VAL A 45 -1.965 3.240 -28.486 1.00 33.14 C ATOM 686 O VAL A 45 -2.398 3.306 -29.635 1.00 43.13 O ATOM 687 CB VAL A 45 -3.451 2.171 -26.708 1.00 20.23 C ATOM 688 CG1 VAL A 45 -4.167 2.429 -25.380 1.00 63.33 C ATOM 689 CG2 VAL A 45 -4.379 1.475 -27.705 1.00 71.51 C ATOM 0 H VAL A 45 -4.807 3.857 -28.053 1.00 54.02 H new ATOM 0 HA VAL A 45 -2.302 3.938 -26.505 1.00 74.41 H new ATOM 0 HB VAL A 45 -2.611 1.505 -26.512 1.00 20.23 H new ATOM 0 HG11 VAL A 45 -4.553 1.489 -24.986 1.00 63.33 H new ATOM 0 HG12 VAL A 45 -3.465 2.860 -24.666 1.00 63.33 H new ATOM 0 HG13 VAL A 45 -4.993 3.122 -25.541 1.00 63.33 H new ATOM 0 HG21 VAL A 45 -4.761 0.554 -27.265 1.00 71.51 H new ATOM 0 HG22 VAL A 45 -5.213 2.134 -27.947 1.00 71.51 H new ATOM 0 HG23 VAL A 45 -3.826 1.240 -28.614 1.00 71.51 H new ATOM 699 N ASN A 46 -0.706 2.974 -28.172 1.00 20.24 N ATOM 700 CA ASN A 46 0.288 2.733 -29.204 1.00 31.10 C ATOM 701 C ASN A 46 0.600 1.236 -29.266 1.00 54.33 C ATOM 702 O ASN A 46 1.727 0.845 -29.567 1.00 15.43 O ATOM 703 CB ASN A 46 1.590 3.475 -28.898 1.00 65.23 C ATOM 704 CG ASN A 46 2.245 2.933 -27.626 1.00 32.40 C ATOM 705 OD1 ASN A 46 2.415 1.738 -27.445 1.00 42.12 O ATOM 706 ND2 ASN A 46 2.601 3.874 -26.757 1.00 54.40 N ATOM 0 H ASN A 46 -0.351 2.920 -27.217 1.00 20.24 H new ATOM 0 HA ASN A 46 -0.116 3.089 -30.152 1.00 31.10 H new ATOM 0 HB2 ASN A 46 2.277 3.372 -29.738 1.00 65.23 H new ATOM 0 HB3 ASN A 46 1.387 4.540 -28.781 1.00 65.23 H new ATOM 0 HD21 ASN A 46 3.045 3.613 -25.877 1.00 54.40 H new ATOM 0 HD22 ASN A 46 2.430 4.857 -26.971 1.00 54.40 H new ATOM 713 N GLN A 47 -0.419 0.440 -28.978 1.00 21.33 N ATOM 714 CA GLN A 47 -0.268 -1.005 -28.997 1.00 62.32 C ATOM 715 C GLN A 47 -1.599 -1.683 -28.664 1.00 44.21 C ATOM 716 O GLN A 47 -2.462 -1.083 -28.026 1.00 10.31 O ATOM 717 CB GLN A 47 0.832 -1.455 -28.034 1.00 4.44 C ATOM 718 CG GLN A 47 0.701 -2.944 -27.707 1.00 42.35 C ATOM 719 CD GLN A 47 1.881 -3.425 -26.860 1.00 73.31 C ATOM 720 OE1 GLN A 47 2.507 -4.435 -27.138 1.00 50.33 O ATOM 721 NE2 GLN A 47 2.148 -2.649 -25.814 1.00 35.25 N ATOM 0 H GLN A 47 -1.352 0.768 -28.730 1.00 21.33 H new ATOM 0 HA GLN A 47 0.029 -1.306 -30.002 1.00 62.32 H new ATOM 0 HB2 GLN A 47 1.809 -1.261 -28.477 1.00 4.44 H new ATOM 0 HB3 GLN A 47 0.777 -0.871 -27.115 1.00 4.44 H new ATOM 0 HG2 GLN A 47 -0.232 -3.122 -27.172 1.00 42.35 H new ATOM 0 HG3 GLN A 47 0.653 -3.520 -28.631 1.00 42.35 H new ATOM 0 HE21 GLN A 47 1.584 -1.817 -25.639 1.00 35.25 H new ATOM 0 HE22 GLN A 47 2.917 -2.885 -25.187 1.00 35.25 H new ATOM 730 N VAL A 48 -1.723 -2.924 -29.111 1.00 44.22 N ATOM 731 CA VAL A 48 -2.934 -3.689 -28.869 1.00 24.24 C ATOM 732 C VAL A 48 -2.952 -4.159 -27.413 1.00 24.23 C ATOM 733 O VAL A 48 -2.343 -5.174 -27.077 1.00 1.13 O ATOM 734 CB VAL A 48 -3.034 -4.842 -29.870 1.00 42.41 C ATOM 735 CG1 VAL A 48 -3.893 -5.978 -29.314 1.00 35.33 C ATOM 736 CG2 VAL A 48 -3.574 -4.353 -31.216 1.00 32.25 C ATOM 0 H VAL A 48 -1.004 -3.419 -29.640 1.00 44.22 H new ATOM 0 HA VAL A 48 -3.816 -3.067 -29.021 1.00 24.24 H new ATOM 0 HB VAL A 48 -2.030 -5.232 -30.034 1.00 42.41 H new ATOM 0 HG11 VAL A 48 -3.948 -6.784 -30.045 1.00 35.33 H new ATOM 0 HG12 VAL A 48 -3.448 -6.353 -28.393 1.00 35.33 H new ATOM 0 HG13 VAL A 48 -4.897 -5.607 -29.107 1.00 35.33 H new ATOM 0 HG21 VAL A 48 -3.635 -5.192 -31.910 1.00 32.25 H new ATOM 0 HG22 VAL A 48 -4.566 -3.924 -31.076 1.00 32.25 H new ATOM 0 HG23 VAL A 48 -2.905 -3.594 -31.622 1.00 32.25 H new ATOM 746 N VAL A 49 -3.656 -3.399 -26.587 1.00 50.25 N ATOM 747 CA VAL A 49 -3.761 -3.725 -25.175 1.00 53.24 C ATOM 748 C VAL A 49 -5.054 -4.506 -24.932 1.00 11.03 C ATOM 749 O VAL A 49 -6.148 -3.961 -25.071 1.00 32.53 O ATOM 750 CB VAL A 49 -3.666 -2.449 -24.335 1.00 70.54 C ATOM 751 CG1 VAL A 49 -3.819 -2.762 -22.846 1.00 11.45 C ATOM 752 CG2 VAL A 49 -2.355 -1.709 -24.609 1.00 31.50 C ATOM 0 H VAL A 49 -4.160 -2.558 -26.869 1.00 50.25 H new ATOM 0 HA VAL A 49 -2.933 -4.363 -24.867 1.00 53.24 H new ATOM 0 HB VAL A 49 -4.487 -1.793 -24.626 1.00 70.54 H new ATOM 0 HG11 VAL A 49 -3.748 -1.839 -22.271 1.00 11.45 H new ATOM 0 HG12 VAL A 49 -4.790 -3.225 -22.669 1.00 11.45 H new ATOM 0 HG13 VAL A 49 -3.029 -3.445 -22.535 1.00 11.45 H new ATOM 0 HG21 VAL A 49 -2.313 -0.806 -24.000 1.00 31.50 H new ATOM 0 HG22 VAL A 49 -1.513 -2.355 -24.359 1.00 31.50 H new ATOM 0 HG23 VAL A 49 -2.304 -1.438 -25.663 1.00 31.50 H new ATOM 762 N PRO A 50 -4.881 -5.803 -24.563 1.00 23.50 N ATOM 763 CA PRO A 50 -6.020 -6.665 -24.299 1.00 34.13 C ATOM 764 C PRO A 50 -6.659 -6.331 -22.949 1.00 53.32 C ATOM 765 O PRO A 50 -6.014 -5.747 -22.080 1.00 44.13 O ATOM 766 CB PRO A 50 -5.467 -8.079 -24.360 1.00 30.42 C ATOM 767 CG PRO A 50 -3.962 -7.946 -24.194 1.00 40.50 C ATOM 768 CD PRO A 50 -3.600 -6.482 -24.389 1.00 21.25 C ATOM 0 HA PRO A 50 -6.823 -6.534 -25.025 1.00 34.13 H new ATOM 0 HB2 PRO A 50 -5.893 -8.699 -23.572 1.00 30.42 H new ATOM 0 HB3 PRO A 50 -5.715 -8.555 -25.309 1.00 30.42 H new ATOM 0 HG2 PRO A 50 -3.655 -8.287 -23.205 1.00 40.50 H new ATOM 0 HG3 PRO A 50 -3.441 -8.568 -24.922 1.00 40.50 H new ATOM 0 HD2 PRO A 50 -3.058 -6.090 -23.528 1.00 21.25 H new ATOM 0 HD3 PRO A 50 -2.958 -6.345 -25.259 1.00 21.25 H new ATOM 776 N MET A 51 -7.920 -6.715 -22.816 1.00 71.50 N ATOM 777 CA MET A 51 -8.653 -6.464 -21.587 1.00 74.10 C ATOM 778 C MET A 51 -7.970 -7.134 -20.394 1.00 24.24 C ATOM 779 O MET A 51 -7.822 -8.355 -20.363 1.00 14.00 O ATOM 780 CB MET A 51 -10.080 -6.999 -21.725 1.00 30.50 C ATOM 781 CG MET A 51 -10.877 -6.775 -20.438 1.00 25.51 C ATOM 782 SD MET A 51 -12.553 -7.350 -20.650 1.00 30.33 S ATOM 783 CE MET A 51 -12.260 -9.102 -20.825 1.00 32.45 C ATOM 0 H MET A 51 -8.453 -7.198 -23.539 1.00 71.50 H new ATOM 0 HA MET A 51 -8.674 -5.388 -21.412 1.00 74.10 H new ATOM 0 HB2 MET A 51 -10.579 -6.503 -22.557 1.00 30.50 H new ATOM 0 HB3 MET A 51 -10.052 -8.063 -21.959 1.00 30.50 H new ATOM 0 HG2 MET A 51 -10.404 -7.304 -19.611 1.00 25.51 H new ATOM 0 HG3 MET A 51 -10.877 -5.716 -20.180 1.00 25.51 H new ATOM 0 HE1 MET A 51 -13.164 -9.650 -20.561 1.00 32.45 H new ATOM 0 HE2 MET A 51 -11.989 -9.324 -21.857 1.00 32.45 H new ATOM 0 HE3 MET A 51 -11.447 -9.403 -20.164 1.00 32.45 H new ATOM 793 N GLY A 52 -7.570 -6.306 -19.440 1.00 1.03 N ATOM 794 CA GLY A 52 -6.905 -6.803 -18.247 1.00 72.11 C ATOM 795 C GLY A 52 -5.416 -6.453 -18.263 1.00 62.03 C ATOM 796 O GLY A 52 -4.742 -6.545 -17.238 1.00 42.45 O ATOM 0 H GLY A 52 -7.694 -5.294 -19.469 1.00 1.03 H new ATOM 0 HA2 GLY A 52 -7.373 -6.375 -17.360 1.00 72.11 H new ATOM 0 HA3 GLY A 52 -7.027 -7.884 -18.182 1.00 72.11 H new ATOM 800 N THR A 53 -4.946 -6.059 -19.438 1.00 21.41 N ATOM 801 CA THR A 53 -3.549 -5.695 -19.601 1.00 63.11 C ATOM 802 C THR A 53 -3.286 -4.309 -19.010 1.00 15.34 C ATOM 803 O THR A 53 -3.823 -3.313 -19.492 1.00 12.52 O ATOM 804 CB THR A 53 -3.204 -5.796 -21.088 1.00 73.43 C ATOM 805 OG1 THR A 53 -3.207 -7.197 -21.351 1.00 24.04 O ATOM 806 CG2 THR A 53 -1.768 -5.364 -21.387 1.00 44.45 C ATOM 0 H THR A 53 -5.508 -5.984 -20.286 1.00 21.41 H new ATOM 0 HA THR A 53 -2.897 -6.376 -19.054 1.00 63.11 H new ATOM 0 HB THR A 53 -3.895 -5.180 -21.663 1.00 73.43 H new ATOM 0 HG1 THR A 53 -2.355 -7.455 -21.761 1.00 24.04 H new ATOM 0 HG21 THR A 53 -1.576 -5.455 -22.456 1.00 44.45 H new ATOM 0 HG22 THR A 53 -1.629 -4.327 -21.080 1.00 44.45 H new ATOM 0 HG23 THR A 53 -1.075 -6.001 -20.838 1.00 44.45 H new ATOM 814 N THR A 54 -2.461 -4.289 -17.973 1.00 72.14 N ATOM 815 CA THR A 54 -2.121 -3.041 -17.311 1.00 71.30 C ATOM 816 C THR A 54 -1.692 -1.992 -18.338 1.00 65.12 C ATOM 817 O THR A 54 -0.944 -2.297 -19.267 1.00 14.43 O ATOM 818 CB THR A 54 -1.048 -3.340 -16.262 1.00 50.02 C ATOM 819 OG1 THR A 54 -1.506 -4.530 -15.626 1.00 13.44 O ATOM 820 CG2 THR A 54 -1.023 -2.302 -15.138 1.00 63.03 C ATOM 0 H THR A 54 -2.018 -5.117 -17.575 1.00 72.14 H new ATOM 0 HA THR A 54 -2.985 -2.615 -16.801 1.00 71.30 H new ATOM 0 HB THR A 54 -0.071 -3.378 -16.743 1.00 50.02 H new ATOM 0 HG1 THR A 54 -0.755 -4.971 -15.176 1.00 13.44 H new ATOM 0 HG21 THR A 54 -0.244 -2.561 -14.421 1.00 63.03 H new ATOM 0 HG22 THR A 54 -0.817 -1.317 -15.557 1.00 63.03 H new ATOM 0 HG23 THR A 54 -1.990 -2.288 -14.634 1.00 63.03 H new ATOM 828 N LEU A 55 -2.182 -0.778 -18.137 1.00 52.11 N ATOM 829 CA LEU A 55 -1.858 0.318 -19.034 1.00 54.24 C ATOM 830 C LEU A 55 -0.535 0.952 -18.602 1.00 23.25 C ATOM 831 O LEU A 55 -0.351 1.275 -17.429 1.00 32.11 O ATOM 832 CB LEU A 55 -3.020 1.311 -19.109 1.00 32.14 C ATOM 833 CG LEU A 55 -3.062 2.203 -20.351 1.00 1.01 C ATOM 834 CD1 LEU A 55 -2.711 1.407 -21.609 1.00 41.14 C ATOM 835 CD2 LEU A 55 -4.415 2.906 -20.476 1.00 72.21 C ATOM 0 H LEU A 55 -2.801 -0.529 -17.366 1.00 52.11 H new ATOM 0 HA LEU A 55 -1.718 -0.051 -20.050 1.00 54.24 H new ATOM 0 HB2 LEU A 55 -3.954 0.751 -19.056 1.00 32.14 H new ATOM 0 HB3 LEU A 55 -2.982 1.951 -18.228 1.00 32.14 H new ATOM 0 HG LEU A 55 -2.305 2.980 -20.240 1.00 1.01 H new ATOM 0 HD11 LEU A 55 -2.748 2.064 -22.478 1.00 41.14 H new ATOM 0 HD12 LEU A 55 -1.707 0.993 -21.510 1.00 41.14 H new ATOM 0 HD13 LEU A 55 -3.427 0.595 -21.737 1.00 41.14 H new ATOM 0 HD21 LEU A 55 -4.418 3.534 -21.367 1.00 72.21 H new ATOM 0 HD22 LEU A 55 -5.206 2.161 -20.555 1.00 72.21 H new ATOM 0 HD23 LEU A 55 -4.586 3.525 -19.595 1.00 72.21 H new ATOM 847 N MET A 56 0.354 1.111 -19.572 1.00 33.45 N ATOM 848 CA MET A 56 1.655 1.700 -19.305 1.00 70.14 C ATOM 849 C MET A 56 1.745 3.113 -19.884 1.00 4.52 C ATOM 850 O MET A 56 0.964 3.481 -20.760 1.00 31.14 O ATOM 851 CB MET A 56 2.748 0.825 -19.923 1.00 34.33 C ATOM 852 CG MET A 56 2.973 -0.439 -19.090 1.00 62.23 C ATOM 853 SD MET A 56 4.302 -0.175 -17.928 1.00 33.43 S ATOM 854 CE MET A 56 3.443 -0.499 -16.397 1.00 32.32 C ATOM 0 H MET A 56 0.199 0.842 -20.544 1.00 33.45 H new ATOM 0 HA MET A 56 1.792 1.760 -18.225 1.00 70.14 H new ATOM 0 HB2 MET A 56 2.467 0.550 -20.940 1.00 34.33 H new ATOM 0 HB3 MET A 56 3.677 1.391 -19.991 1.00 34.33 H new ATOM 0 HG2 MET A 56 2.059 -0.701 -18.557 1.00 62.23 H new ATOM 0 HG3 MET A 56 3.212 -1.278 -19.744 1.00 62.23 H new ATOM 0 HE1 MET A 56 3.853 0.133 -15.609 1.00 32.32 H new ATOM 0 HE2 MET A 56 2.382 -0.281 -16.522 1.00 32.32 H new ATOM 0 HE3 MET A 56 3.568 -1.547 -16.124 1.00 32.32 H new ATOM 864 N PRO A 57 2.731 3.888 -19.357 1.00 3.11 N ATOM 865 CA PRO A 57 2.934 5.253 -19.811 1.00 40.24 C ATOM 866 C PRO A 57 3.602 5.279 -21.188 1.00 15.41 C ATOM 867 O PRO A 57 3.517 6.276 -21.904 1.00 3.23 O ATOM 868 CB PRO A 57 3.778 5.907 -18.729 1.00 60.24 C ATOM 869 CG PRO A 57 4.405 4.766 -17.944 1.00 13.33 C ATOM 870 CD PRO A 57 3.676 3.486 -18.318 1.00 54.44 C ATOM 0 HA PRO A 57 1.998 5.794 -19.948 1.00 40.24 H new ATOM 0 HB2 PRO A 57 4.544 6.548 -19.165 1.00 60.24 H new ATOM 0 HB3 PRO A 57 3.166 6.536 -18.083 1.00 60.24 H new ATOM 0 HG2 PRO A 57 5.467 4.682 -18.175 1.00 13.33 H new ATOM 0 HG3 PRO A 57 4.326 4.951 -16.873 1.00 13.33 H new ATOM 0 HD2 PRO A 57 4.369 2.728 -18.684 1.00 54.44 H new ATOM 0 HD3 PRO A 57 3.161 3.058 -17.458 1.00 54.44 H new ATOM 878 N ASP A 58 4.250 4.172 -21.517 1.00 74.21 N ATOM 879 CA ASP A 58 4.931 4.055 -22.795 1.00 50.12 C ATOM 880 C ASP A 58 4.049 3.272 -23.769 1.00 34.40 C ATOM 881 O ASP A 58 4.471 2.959 -24.881 1.00 51.12 O ATOM 882 CB ASP A 58 6.255 3.303 -22.647 1.00 31.12 C ATOM 883 CG ASP A 58 7.507 4.138 -22.922 1.00 23.32 C ATOM 884 OD1 ASP A 58 7.612 4.810 -23.958 1.00 54.32 O ATOM 885 OD2 ASP A 58 8.414 4.078 -22.006 1.00 11.41 O ATOM 0 H ASP A 58 4.318 3.347 -20.920 1.00 74.21 H new ATOM 0 HA ASP A 58 5.127 5.061 -23.165 1.00 50.12 H new ATOM 0 HB2 ASP A 58 6.318 2.904 -21.635 1.00 31.12 H new ATOM 0 HB3 ASP A 58 6.249 2.450 -23.326 1.00 31.12 H new ATOM 891 N MET A 59 2.839 2.977 -23.315 1.00 62.54 N ATOM 892 CA MET A 59 1.894 2.235 -24.133 1.00 14.43 C ATOM 893 C MET A 59 0.709 3.116 -24.536 1.00 44.33 C ATOM 894 O MET A 59 -0.373 2.611 -24.828 1.00 54.24 O ATOM 895 CB MET A 59 1.385 1.022 -23.352 1.00 12.22 C ATOM 896 CG MET A 59 2.377 -0.139 -23.436 1.00 22.42 C ATOM 897 SD MET A 59 1.542 -1.681 -23.103 1.00 31.32 S ATOM 898 CE MET A 59 0.457 -1.167 -21.781 1.00 65.24 C ATOM 0 H MET A 59 2.492 3.238 -22.392 1.00 62.54 H new ATOM 0 HA MET A 59 2.405 1.907 -25.039 1.00 14.43 H new ATOM 0 HB2 MET A 59 1.228 1.296 -22.309 1.00 12.22 H new ATOM 0 HB3 MET A 59 0.419 0.709 -23.748 1.00 12.22 H new ATOM 0 HG2 MET A 59 2.832 -0.169 -24.426 1.00 22.42 H new ATOM 0 HG3 MET A 59 3.184 0.009 -22.719 1.00 22.42 H new ATOM 0 HE1 MET A 59 -0.273 -1.952 -21.584 1.00 65.24 H new ATOM 0 HE2 MET A 59 1.043 -0.982 -20.881 1.00 65.24 H new ATOM 0 HE3 MET A 59 -0.062 -0.253 -22.071 1.00 65.24 H new ATOM 908 N VAL A 60 0.955 4.418 -24.539 1.00 44.24 N ATOM 909 CA VAL A 60 -0.077 5.374 -24.902 1.00 51.03 C ATOM 910 C VAL A 60 0.542 6.491 -25.745 1.00 13.21 C ATOM 911 O VAL A 60 1.676 6.901 -25.502 1.00 71.14 O ATOM 912 CB VAL A 60 -0.776 5.892 -23.644 1.00 34.22 C ATOM 913 CG1 VAL A 60 -1.847 6.926 -23.998 1.00 33.53 C ATOM 914 CG2 VAL A 60 -1.373 4.739 -22.835 1.00 34.34 C ATOM 0 H VAL A 60 1.854 4.833 -24.296 1.00 44.24 H new ATOM 0 HA VAL A 60 -0.844 4.895 -25.510 1.00 51.03 H new ATOM 0 HB VAL A 60 -0.027 6.385 -23.023 1.00 34.22 H new ATOM 0 HG11 VAL A 60 -2.329 7.278 -23.086 1.00 33.53 H new ATOM 0 HG12 VAL A 60 -1.384 7.768 -24.512 1.00 33.53 H new ATOM 0 HG13 VAL A 60 -2.593 6.469 -24.649 1.00 33.53 H new ATOM 0 HG21 VAL A 60 -1.864 5.134 -21.946 1.00 34.34 H new ATOM 0 HG22 VAL A 60 -2.102 4.205 -23.445 1.00 34.34 H new ATOM 0 HG23 VAL A 60 -0.579 4.054 -22.537 1.00 34.34 H new ATOM 924 N LYS A 61 -0.231 6.952 -26.717 1.00 41.44 N ATOM 925 CA LYS A 61 0.227 8.014 -27.597 1.00 41.23 C ATOM 926 C LYS A 61 -0.141 9.369 -26.989 1.00 23.01 C ATOM 927 O LYS A 61 -1.175 9.500 -26.336 1.00 41.00 O ATOM 928 CB LYS A 61 -0.315 7.808 -29.013 1.00 52.10 C ATOM 929 CG LYS A 61 0.305 6.569 -29.663 1.00 14.33 C ATOM 930 CD LYS A 61 0.161 6.619 -31.185 1.00 73.52 C ATOM 931 CE LYS A 61 -0.924 5.652 -31.665 1.00 12.32 C ATOM 932 NZ LYS A 61 -1.662 6.229 -32.811 1.00 13.24 N ATOM 0 H LYS A 61 -1.171 6.610 -26.915 1.00 41.44 H new ATOM 0 HA LYS A 61 1.313 7.990 -27.689 1.00 41.23 H new ATOM 0 HB2 LYS A 61 -1.399 7.701 -28.979 1.00 52.10 H new ATOM 0 HB3 LYS A 61 -0.100 8.687 -29.620 1.00 52.10 H new ATOM 0 HG2 LYS A 61 1.360 6.503 -29.396 1.00 14.33 H new ATOM 0 HG3 LYS A 61 -0.178 5.671 -29.278 1.00 14.33 H new ATOM 0 HD2 LYS A 61 -0.087 7.633 -31.497 1.00 73.52 H new ATOM 0 HD3 LYS A 61 1.112 6.365 -31.652 1.00 73.52 H new ATOM 0 HE2 LYS A 61 -0.472 4.704 -31.956 1.00 12.32 H new ATOM 0 HE3 LYS A 61 -1.615 5.438 -30.850 1.00 12.32 H new ATOM 0 HZ1 LYS A 61 -2.644 5.887 -32.799 1.00 13.24 H new ATOM 0 HZ2 LYS A 61 -1.656 7.267 -32.741 1.00 13.24 H new ATOM 0 HZ3 LYS A 61 -1.205 5.940 -33.699 1.00 13.24 H new ATOM 945 N GLY A 62 0.726 10.343 -27.225 1.00 24.42 N ATOM 946 CA GLY A 62 0.506 11.683 -26.708 1.00 73.32 C ATOM 947 C GLY A 62 0.338 11.663 -25.187 1.00 45.44 C ATOM 948 O GLY A 62 -0.147 12.629 -24.601 1.00 13.15 O ATOM 0 H GLY A 62 1.582 10.231 -27.768 1.00 24.42 H new ATOM 0 HA2 GLY A 62 1.347 12.323 -26.976 1.00 73.32 H new ATOM 0 HA3 GLY A 62 -0.382 12.114 -27.170 1.00 73.32 H new ATOM 952 N TYR A 63 0.750 10.553 -24.593 1.00 4.42 N ATOM 953 CA TYR A 63 0.652 10.396 -23.152 1.00 23.33 C ATOM 954 C TYR A 63 1.768 11.162 -22.439 1.00 3.20 C ATOM 955 O TYR A 63 2.673 11.691 -23.084 1.00 20.54 O ATOM 956 CB TYR A 63 0.822 8.900 -22.879 1.00 24.13 C ATOM 957 CG TYR A 63 0.972 8.551 -21.397 1.00 1.14 C ATOM 958 CD1 TYR A 63 2.210 8.628 -20.791 1.00 71.42 C ATOM 959 CD2 TYR A 63 -0.131 8.160 -20.665 1.00 22.31 C ATOM 960 CE1 TYR A 63 2.351 8.299 -19.396 1.00 52.23 C ATOM 961 CE2 TYR A 63 0.010 7.831 -19.270 1.00 0.31 C ATOM 962 CZ TYR A 63 1.244 7.917 -18.704 1.00 51.25 C ATOM 963 OH TYR A 63 1.377 7.607 -17.387 1.00 50.10 O ATOM 0 H TYR A 63 1.152 9.754 -25.083 1.00 4.42 H new ATOM 0 HA TYR A 63 -0.300 10.783 -22.788 1.00 23.33 H new ATOM 0 HB2 TYR A 63 -0.040 8.367 -23.282 1.00 24.13 H new ATOM 0 HB3 TYR A 63 1.699 8.540 -23.417 1.00 24.13 H new ATOM 0 HD1 TYR A 63 3.073 8.935 -21.363 1.00 71.42 H new ATOM 0 HD2 TYR A 63 -1.100 8.101 -21.138 1.00 22.31 H new ATOM 0 HE1 TYR A 63 3.314 8.354 -18.910 1.00 52.23 H new ATOM 0 HE2 TYR A 63 -0.845 7.523 -18.686 1.00 0.31 H new ATOM 0 HH TYR A 63 0.544 7.817 -16.916 1.00 50.10 H new ATOM 973 N ALA A 64 1.668 11.199 -21.118 1.00 73.44 N ATOM 974 CA ALA A 64 2.657 11.892 -20.311 1.00 64.42 C ATOM 975 C ALA A 64 2.177 11.948 -18.860 1.00 15.02 C ATOM 976 O ALA A 64 0.975 11.989 -18.601 1.00 73.44 O ATOM 977 CB ALA A 64 2.910 13.283 -20.896 1.00 61.41 C ATOM 0 H ALA A 64 0.916 10.760 -20.587 1.00 73.44 H new ATOM 0 HA ALA A 64 3.606 11.356 -20.323 1.00 64.42 H new ATOM 0 HB1 ALA A 64 3.652 13.803 -20.290 1.00 61.41 H new ATOM 0 HB2 ALA A 64 3.278 13.187 -21.917 1.00 61.41 H new ATOM 0 HB3 ALA A 64 1.980 13.852 -20.898 1.00 61.41 H new ATOM 983 N PRO A 65 3.166 11.949 -17.926 1.00 75.33 N ATOM 984 CA PRO A 65 2.856 11.999 -16.508 1.00 14.43 C ATOM 985 C PRO A 65 2.415 13.405 -16.092 1.00 63.35 C ATOM 986 O PRO A 65 2.515 14.347 -16.877 1.00 14.25 O ATOM 987 CB PRO A 65 4.128 11.545 -15.811 1.00 13.34 C ATOM 988 CG PRO A 65 5.242 11.703 -16.832 1.00 50.24 C ATOM 989 CD PRO A 65 4.600 11.901 -18.196 1.00 13.54 C ATOM 0 HA PRO A 65 2.018 11.356 -16.238 1.00 14.43 H new ATOM 0 HB2 PRO A 65 4.323 12.147 -14.924 1.00 13.34 H new ATOM 0 HB3 PRO A 65 4.044 10.509 -15.481 1.00 13.34 H new ATOM 0 HG2 PRO A 65 5.873 12.555 -16.580 1.00 50.24 H new ATOM 0 HG3 PRO A 65 5.884 10.822 -16.836 1.00 50.24 H new ATOM 0 HD2 PRO A 65 4.946 12.821 -18.667 1.00 13.54 H new ATOM 0 HD3 PRO A 65 4.849 11.084 -18.873 1.00 13.54 H new