USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 555 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 67 SER OG : rot -141:sc= 0.019 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0.0362 USER MOD Single : A 9 LYS NZ :NH3+ -147:sc= 1.25 (180deg=0.957) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc=-0.00994 X(o=-0.0099,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -129:sc= 0.837 (180deg=-0.288) USER MOD Single : A 18 MET CE :methyl 135:sc= -0.756 (180deg=-3.71!) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0686) USER MOD Single : A 23 SER OG : rot 150:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.6!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 161:sc= -0.204 (180deg=-0.73) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.0125 (180deg=-0.195) USER MOD Single : A 40 ASN : amide:sc= -2.05! C(o=-2!,f=-2.9!) USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= 1.29 (180deg=0.541) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 138:sc= 0.245 USER MOD Single : A 56 SER OG : rot 150:sc= 1.13 USER MOD Single : A 61 TYR OH : rot -78:sc= 0.781 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.0977 X(o=-0.098,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 91 SER OG : rot 102:sc= 1.08 USER MOD Single : A 99 LYS NZ :NH3+ -170:sc=-0.00591 (180deg=-0.0775) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 11.792 0.639 -15.828 1.00 7.54 N ATOM 2 CA GLY A -2 10.630 -0.254 -16.052 1.00 6.84 C ATOM 3 C GLY A -2 9.989 -0.679 -14.752 1.00 5.98 C ATOM 4 O GLY A -2 10.686 -1.064 -13.810 1.00 5.92 O ATOM 0 H1 GLY A -2 12.204 0.909 -16.744 1.00 7.54 H new ATOM 0 H2 GLY A -2 11.481 1.494 -15.323 1.00 7.54 H new ATOM 0 H3 GLY A -2 12.507 0.142 -15.259 1.00 7.54 H new ATOM 0 HA2 GLY A -2 9.893 0.258 -16.670 1.00 6.84 H new ATOM 0 HA3 GLY A -2 10.952 -1.137 -16.604 1.00 6.84 H new ATOM 10 N SER A -1 8.666 -0.540 -14.683 1.00 5.63 N ATOM 11 CA SER A -1 7.908 -0.842 -13.471 1.00 5.13 C ATOM 12 C SER A -1 8.421 -0.014 -12.295 1.00 4.14 C ATOM 13 O SER A -1 8.508 -0.512 -11.169 1.00 4.20 O ATOM 14 CB SER A -1 7.985 -2.339 -13.151 1.00 5.89 C ATOM 15 OG SER A -1 7.455 -3.115 -14.217 1.00 6.58 O ATOM 0 H SER A -1 8.092 -0.216 -15.462 1.00 5.63 H new ATOM 0 HA SER A -1 6.864 -0.579 -13.643 1.00 5.13 H new ATOM 0 HB2 SER A -1 9.022 -2.623 -12.970 1.00 5.89 H new ATOM 0 HB3 SER A -1 7.433 -2.548 -12.235 1.00 5.89 H new ATOM 0 HG SER A -1 7.516 -4.067 -13.991 1.00 6.58 H new ATOM 19 N VAL A 1 8.791 1.241 -12.597 1.00 3.59 N ATOM 20 CA VAL A 1 9.363 2.193 -11.630 1.00 2.90 C ATOM 21 C VAL A 1 10.374 1.527 -10.685 1.00 2.46 C ATOM 22 O VAL A 1 11.096 0.609 -11.088 1.00 2.65 O ATOM 23 CB VAL A 1 8.273 2.962 -10.829 1.00 2.83 C ATOM 24 CG1 VAL A 1 7.471 3.857 -11.760 1.00 2.99 C ATOM 25 CG2 VAL A 1 7.341 2.026 -10.072 1.00 3.50 C ATOM 0 H VAL A 1 8.700 1.629 -13.536 1.00 3.59 H new ATOM 0 HA VAL A 1 9.904 2.929 -12.225 1.00 2.90 H new ATOM 0 HB VAL A 1 8.789 3.573 -10.089 1.00 2.83 H new ATOM 0 HG11 VAL A 1 6.712 4.390 -11.188 1.00 2.99 H new ATOM 0 HG12 VAL A 1 8.137 4.576 -12.237 1.00 2.99 H new ATOM 0 HG13 VAL A 1 6.988 3.248 -12.524 1.00 2.99 H new ATOM 0 HG21 VAL A 1 6.599 2.612 -9.529 1.00 3.50 H new ATOM 0 HG22 VAL A 1 6.837 1.366 -10.778 1.00 3.50 H new ATOM 0 HG23 VAL A 1 7.919 1.429 -9.366 1.00 3.50 H new ATOM 35 N ASP A 2 10.447 2.005 -9.448 1.00 2.28 N ATOM 36 CA ASP A 2 11.369 1.453 -8.456 1.00 1.96 C ATOM 37 C ASP A 2 11.083 2.047 -7.088 1.00 1.39 C ATOM 38 O ASP A 2 10.983 3.268 -6.945 1.00 2.12 O ATOM 39 CB ASP A 2 12.827 1.740 -8.830 1.00 2.27 C ATOM 40 CG ASP A 2 13.802 1.123 -7.847 1.00 2.32 C ATOM 41 OD1 ASP A 2 13.929 -0.121 -7.834 1.00 2.52 O ATOM 42 OD2 ASP A 2 14.415 1.871 -7.057 1.00 2.66 O ATOM 0 H ASP A 2 9.876 2.778 -9.105 1.00 2.28 H new ATOM 0 HA ASP A 2 11.219 0.374 -8.432 1.00 1.96 H new ATOM 0 HB2 ASP A 2 13.027 1.353 -9.829 1.00 2.27 H new ATOM 0 HB3 ASP A 2 12.985 2.818 -8.868 1.00 2.27 H new ATOM 45 N PHE A 3 10.939 1.190 -6.087 1.00 0.94 N ATOM 46 CA PHE A 3 10.639 1.648 -4.737 1.00 0.64 C ATOM 47 C PHE A 3 10.836 0.538 -3.710 1.00 0.52 C ATOM 48 O PHE A 3 10.239 0.567 -2.638 1.00 0.46 O ATOM 49 CB PHE A 3 9.200 2.176 -4.668 1.00 1.16 C ATOM 50 CG PHE A 3 8.164 1.224 -5.211 1.00 0.79 C ATOM 51 CD1 PHE A 3 7.854 0.061 -4.525 1.00 0.86 C ATOM 52 CD2 PHE A 3 7.511 1.483 -6.405 1.00 0.87 C ATOM 53 CE1 PHE A 3 6.918 -0.825 -5.022 1.00 0.71 C ATOM 54 CE2 PHE A 3 6.578 0.605 -6.903 1.00 1.16 C ATOM 55 CZ PHE A 3 6.235 -0.507 -6.209 1.00 0.99 C ATOM 0 H PHE A 3 11.024 0.178 -6.183 1.00 0.94 H new ATOM 0 HA PHE A 3 11.334 2.453 -4.497 1.00 0.64 H new ATOM 0 HB2 PHE A 3 8.958 2.404 -3.630 1.00 1.16 H new ATOM 0 HB3 PHE A 3 9.142 3.113 -5.222 1.00 1.16 H new ATOM 0 HD1 PHE A 3 8.350 -0.156 -3.590 1.00 0.86 H new ATOM 0 HD2 PHE A 3 7.738 2.386 -6.952 1.00 0.87 H new ATOM 0 HE1 PHE A 3 6.713 -1.751 -4.505 1.00 0.71 H new ATOM 0 HE2 PHE A 3 6.113 0.804 -7.858 1.00 1.16 H new ATOM 0 HZ PHE A 3 5.441 -1.146 -6.566 1.00 0.99 H new ATOM 63 N ALA A 4 11.710 -0.408 -4.014 1.00 0.56 N ATOM 64 CA ALA A 4 11.986 -1.505 -3.097 1.00 0.55 C ATOM 65 C ALA A 4 12.613 -0.984 -1.810 1.00 0.57 C ATOM 66 O ALA A 4 12.143 -1.281 -0.702 1.00 0.54 O ATOM 67 CB ALA A 4 12.905 -2.522 -3.750 1.00 0.64 C ATOM 0 H ALA A 4 12.239 -0.440 -4.885 1.00 0.56 H new ATOM 0 HA ALA A 4 11.042 -1.991 -2.852 1.00 0.55 H new ATOM 0 HB1 ALA A 4 13.102 -3.336 -3.052 1.00 0.64 H new ATOM 0 HB2 ALA A 4 12.429 -2.920 -4.646 1.00 0.64 H new ATOM 0 HB3 ALA A 4 13.845 -2.042 -4.021 1.00 0.64 H new ATOM 73 N PHE A 5 13.647 -0.168 -1.959 1.00 0.62 N ATOM 74 CA PHE A 5 14.316 0.407 -0.807 1.00 0.66 C ATOM 75 C PHE A 5 13.415 1.442 -0.146 1.00 0.59 C ATOM 76 O PHE A 5 13.444 1.609 1.066 1.00 0.57 O ATOM 77 CB PHE A 5 15.682 0.999 -1.194 1.00 0.79 C ATOM 78 CG PHE A 5 15.642 2.378 -1.789 1.00 0.85 C ATOM 79 CD1 PHE A 5 15.623 3.498 -0.978 1.00 1.04 C ATOM 80 CD2 PHE A 5 15.587 2.550 -3.164 1.00 1.20 C ATOM 81 CE1 PHE A 5 15.559 4.764 -1.525 1.00 1.46 C ATOM 82 CE2 PHE A 5 15.527 3.812 -3.714 1.00 1.56 C ATOM 83 CZ PHE A 5 15.624 4.929 -2.885 1.00 1.65 C ATOM 0 H PHE A 5 14.037 0.108 -2.860 1.00 0.62 H new ATOM 0 HA PHE A 5 14.511 -0.384 -0.083 1.00 0.66 H new ATOM 0 HB2 PHE A 5 16.313 1.023 -0.306 1.00 0.79 H new ATOM 0 HB3 PHE A 5 16.161 0.328 -1.907 1.00 0.79 H new ATOM 0 HD1 PHE A 5 15.659 3.381 0.095 1.00 1.04 H new ATOM 0 HD2 PHE A 5 15.591 1.685 -3.811 1.00 1.20 H new ATOM 0 HE1 PHE A 5 15.458 5.625 -0.881 1.00 1.46 H new ATOM 0 HE2 PHE A 5 15.406 3.935 -4.780 1.00 1.56 H new ATOM 0 HZ PHE A 5 15.749 5.914 -3.310 1.00 1.65 H new ATOM 91 N GLU A 6 12.545 2.055 -0.940 1.00 0.57 N ATOM 92 CA GLU A 6 11.562 2.996 -0.412 1.00 0.53 C ATOM 93 C GLU A 6 10.564 2.273 0.492 1.00 0.49 C ATOM 94 O GLU A 6 10.245 2.749 1.579 1.00 0.49 O ATOM 95 CB GLU A 6 10.821 3.703 -1.550 1.00 0.57 C ATOM 96 CG GLU A 6 11.711 4.599 -2.401 1.00 0.70 C ATOM 97 CD GLU A 6 12.241 5.805 -1.646 1.00 1.42 C ATOM 98 OE1 GLU A 6 11.900 5.971 -0.459 1.00 1.97 O ATOM 99 OE2 GLU A 6 12.992 6.601 -2.243 1.00 2.09 O ATOM 0 H GLU A 6 12.499 1.918 -1.950 1.00 0.57 H new ATOM 0 HA GLU A 6 12.092 3.746 0.175 1.00 0.53 H new ATOM 0 HB2 GLU A 6 10.358 2.953 -2.191 1.00 0.57 H new ATOM 0 HB3 GLU A 6 10.015 4.303 -1.128 1.00 0.57 H new ATOM 0 HG2 GLU A 6 12.551 4.015 -2.776 1.00 0.70 H new ATOM 0 HG3 GLU A 6 11.148 4.941 -3.269 1.00 0.70 H new ATOM 102 N LEU A 7 10.114 1.098 0.057 1.00 0.49 N ATOM 103 CA LEU A 7 9.188 0.291 0.844 1.00 0.51 C ATOM 104 C LEU A 7 9.823 -0.140 2.160 1.00 0.53 C ATOM 105 O LEU A 7 9.222 0.010 3.228 1.00 0.56 O ATOM 106 CB LEU A 7 8.749 -0.954 0.062 1.00 0.56 C ATOM 107 CG LEU A 7 7.758 -0.715 -1.076 1.00 0.79 C ATOM 108 CD1 LEU A 7 7.385 -2.035 -1.730 1.00 1.43 C ATOM 109 CD2 LEU A 7 6.513 -0.012 -0.559 1.00 1.45 C ATOM 0 H LEU A 7 10.377 0.684 -0.838 1.00 0.49 H new ATOM 0 HA LEU A 7 8.315 0.908 1.055 1.00 0.51 H new ATOM 0 HB2 LEU A 7 9.638 -1.431 -0.351 1.00 0.56 H new ATOM 0 HB3 LEU A 7 8.304 -1.661 0.763 1.00 0.56 H new ATOM 0 HG LEU A 7 8.231 -0.075 -1.821 1.00 0.79 H new ATOM 0 HD11 LEU A 7 6.678 -1.853 -2.540 1.00 1.43 H new ATOM 0 HD12 LEU A 7 8.281 -2.509 -2.130 1.00 1.43 H new ATOM 0 HD13 LEU A 7 6.927 -2.691 -0.990 1.00 1.43 H new ATOM 0 HD21 LEU A 7 5.818 0.150 -1.383 1.00 1.45 H new ATOM 0 HD22 LEU A 7 6.036 -0.630 0.202 1.00 1.45 H new ATOM 0 HD23 LEU A 7 6.791 0.948 -0.125 1.00 1.45 H new ATOM 119 N ARG A 8 11.050 -0.655 2.087 1.00 0.56 N ATOM 120 CA ARG A 8 11.740 -1.108 3.292 1.00 0.62 C ATOM 121 C ARG A 8 12.070 0.076 4.197 1.00 0.60 C ATOM 122 O ARG A 8 12.051 -0.043 5.422 1.00 0.63 O ATOM 123 CB ARG A 8 12.997 -1.933 2.948 1.00 0.70 C ATOM 124 CG ARG A 8 14.119 -1.183 2.238 1.00 1.30 C ATOM 125 CD ARG A 8 15.013 -0.417 3.209 1.00 1.61 C ATOM 126 NE ARG A 8 15.534 -1.269 4.281 1.00 1.92 N ATOM 127 CZ ARG A 8 16.349 -0.836 5.244 1.00 2.84 C ATOM 128 NH1 ARG A 8 16.755 0.428 5.250 1.00 3.51 N ATOM 129 NH2 ARG A 8 16.761 -1.669 6.196 1.00 3.56 N ATOM 0 H ARG A 8 11.578 -0.767 1.222 1.00 0.56 H new ATOM 0 HA ARG A 8 11.069 -1.770 3.839 1.00 0.62 H new ATOM 0 HB2 ARG A 8 13.396 -2.352 3.872 1.00 0.70 H new ATOM 0 HB3 ARG A 8 12.695 -2.772 2.321 1.00 0.70 H new ATOM 0 HG2 ARG A 8 14.725 -1.891 1.673 1.00 1.30 H new ATOM 0 HG3 ARG A 8 13.688 -0.487 1.519 1.00 1.30 H new ATOM 0 HD2 ARG A 8 15.846 0.023 2.661 1.00 1.61 H new ATOM 0 HD3 ARG A 8 14.448 0.407 3.646 1.00 1.61 H new ATOM 0 HE ARG A 8 15.257 -2.251 4.292 1.00 1.92 H new ATOM 0 HH11 ARG A 8 16.444 1.067 4.519 1.00 3.51 H new ATOM 0 HH12 ARG A 8 17.378 0.760 5.986 1.00 3.51 H new ATOM 0 HH21 ARG A 8 16.454 -2.642 6.191 1.00 3.56 H new ATOM 0 HH22 ARG A 8 17.384 -1.335 6.931 1.00 3.56 H new ATOM 137 N LYS A 9 12.349 1.216 3.581 1.00 0.56 N ATOM 138 CA LYS A 9 12.659 2.438 4.309 1.00 0.56 C ATOM 139 C LYS A 9 11.433 2.923 5.073 1.00 0.50 C ATOM 140 O LYS A 9 11.504 3.201 6.272 1.00 0.50 O ATOM 141 CB LYS A 9 13.140 3.511 3.332 1.00 0.60 C ATOM 142 CG LYS A 9 13.531 4.824 3.982 1.00 1.06 C ATOM 143 CD LYS A 9 14.007 5.825 2.940 1.00 1.67 C ATOM 144 CE LYS A 9 15.317 5.394 2.305 1.00 2.14 C ATOM 145 NZ LYS A 9 16.428 5.374 3.292 1.00 2.75 N ATOM 0 H LYS A 9 12.367 1.320 2.566 1.00 0.56 H new ATOM 0 HA LYS A 9 13.452 2.234 5.029 1.00 0.56 H new ATOM 0 HB2 LYS A 9 13.997 3.124 2.780 1.00 0.60 H new ATOM 0 HB3 LYS A 9 12.351 3.701 2.604 1.00 0.60 H new ATOM 0 HG2 LYS A 9 12.679 5.234 4.524 1.00 1.06 H new ATOM 0 HG3 LYS A 9 14.320 4.651 4.714 1.00 1.06 H new ATOM 0 HD2 LYS A 9 13.247 5.935 2.167 1.00 1.67 H new ATOM 0 HD3 LYS A 9 14.132 6.803 3.405 1.00 1.67 H new ATOM 0 HE2 LYS A 9 15.200 4.402 1.869 1.00 2.14 H new ATOM 0 HE3 LYS A 9 15.567 6.073 1.490 1.00 2.14 H new ATOM 0 HZ1 LYS A 9 17.317 5.632 2.819 1.00 2.75 H new ATOM 0 HZ2 LYS A 9 16.230 6.056 4.052 1.00 2.75 H new ATOM 0 HZ3 LYS A 9 16.515 4.420 3.697 1.00 2.75 H new ATOM 151 N ALA A 10 10.295 2.955 4.385 1.00 0.47 N ATOM 152 CA ALA A 10 9.035 3.360 4.993 1.00 0.44 C ATOM 153 C ALA A 10 8.673 2.433 6.146 1.00 0.45 C ATOM 154 O ALA A 10 8.211 2.879 7.194 1.00 0.47 O ATOM 155 CB ALA A 10 7.927 3.376 3.951 1.00 0.44 C ATOM 0 H ALA A 10 10.222 2.703 3.399 1.00 0.47 H new ATOM 0 HA ALA A 10 9.151 4.368 5.391 1.00 0.44 H new ATOM 0 HB1 ALA A 10 6.991 3.680 4.420 1.00 0.44 H new ATOM 0 HB2 ALA A 10 8.182 4.080 3.159 1.00 0.44 H new ATOM 0 HB3 ALA A 10 7.812 2.379 3.526 1.00 0.44 H new ATOM 161 N GLN A 11 8.916 1.145 5.951 1.00 0.47 N ATOM 162 CA GLN A 11 8.645 0.149 6.977 1.00 0.53 C ATOM 163 C GLN A 11 9.529 0.365 8.208 1.00 0.58 C ATOM 164 O GLN A 11 9.090 0.165 9.342 1.00 0.63 O ATOM 165 CB GLN A 11 8.869 -1.255 6.412 1.00 0.59 C ATOM 166 CG GLN A 11 8.533 -2.367 7.392 1.00 1.07 C ATOM 167 CD GLN A 11 8.760 -3.748 6.813 1.00 1.69 C ATOM 168 OE1 GLN A 11 9.891 -4.139 6.520 1.00 2.18 O ATOM 169 NE2 GLN A 11 7.684 -4.497 6.640 1.00 2.44 N ATOM 0 H GLN A 11 9.302 0.764 5.087 1.00 0.47 H new ATOM 0 HA GLN A 11 7.605 0.254 7.286 1.00 0.53 H new ATOM 0 HB2 GLN A 11 8.262 -1.377 5.515 1.00 0.59 H new ATOM 0 HB3 GLN A 11 9.911 -1.353 6.108 1.00 0.59 H new ATOM 0 HG2 GLN A 11 9.140 -2.250 8.289 1.00 1.07 H new ATOM 0 HG3 GLN A 11 7.491 -2.273 7.698 1.00 1.07 H new ATOM 0 HE21 GLN A 11 6.765 -4.136 6.896 1.00 2.44 H new ATOM 0 HE22 GLN A 11 7.773 -5.436 6.251 1.00 2.44 H new ATOM 174 N ASP A 12 10.798 0.680 7.975 1.00 0.61 N ATOM 175 CA ASP A 12 11.766 0.790 9.062 1.00 0.73 C ATOM 176 C ASP A 12 11.642 2.116 9.816 1.00 0.68 C ATOM 177 O ASP A 12 11.643 2.134 11.046 1.00 0.73 O ATOM 178 CB ASP A 12 13.187 0.641 8.514 1.00 0.92 C ATOM 179 CG ASP A 12 14.227 0.517 9.611 1.00 0.95 C ATOM 180 OD1 ASP A 12 14.221 -0.505 10.334 1.00 1.32 O ATOM 181 OD2 ASP A 12 15.058 1.439 9.756 1.00 1.43 O ATOM 0 H ASP A 12 11.180 0.863 7.047 1.00 0.61 H new ATOM 0 HA ASP A 12 11.553 -0.013 9.768 1.00 0.73 H new ATOM 0 HB2 ASP A 12 13.234 -0.239 7.873 1.00 0.92 H new ATOM 0 HB3 ASP A 12 13.424 1.503 7.890 1.00 0.92 H new ATOM 184 N THR A 13 11.622 3.225 9.087 1.00 0.64 N ATOM 185 CA THR A 13 11.626 4.540 9.719 1.00 0.68 C ATOM 186 C THR A 13 10.205 5.052 9.986 1.00 0.58 C ATOM 187 O THR A 13 9.974 5.775 10.956 1.00 0.95 O ATOM 188 CB THR A 13 12.423 5.582 8.885 1.00 0.96 C ATOM 189 OG1 THR A 13 12.691 6.751 9.671 1.00 1.96 O ATOM 190 CG2 THR A 13 11.675 5.987 7.624 1.00 1.02 C ATOM 0 H THR A 13 11.603 3.242 8.067 1.00 0.64 H new ATOM 0 HA THR A 13 12.128 4.416 10.678 1.00 0.68 H new ATOM 0 HB THR A 13 13.361 5.110 8.592 1.00 0.96 H new ATOM 0 HG1 THR A 13 13.195 7.398 9.134 1.00 1.96 H new ATOM 0 HG21 THR A 13 12.265 6.716 7.069 1.00 1.02 H new ATOM 0 HG22 THR A 13 11.507 5.108 7.002 1.00 1.02 H new ATOM 0 HG23 THR A 13 10.716 6.428 7.896 1.00 1.02 H new ATOM 198 N GLY A 14 9.269 4.716 9.107 1.00 0.59 N ATOM 199 CA GLY A 14 7.913 5.209 9.250 1.00 0.55 C ATOM 200 C GLY A 14 7.000 4.229 9.960 1.00 0.50 C ATOM 201 O GLY A 14 7.397 3.591 10.937 1.00 0.64 O ATOM 0 H GLY A 14 9.424 4.112 8.300 1.00 0.59 H new ATOM 0 HA2 GLY A 14 7.930 6.148 9.803 1.00 0.55 H new ATOM 0 HA3 GLY A 14 7.505 5.428 8.263 1.00 0.55 H new ATOM 205 N LYS A 15 5.783 4.095 9.446 1.00 0.47 N ATOM 206 CA LYS A 15 4.792 3.184 10.008 1.00 0.55 C ATOM 207 C LYS A 15 3.923 2.615 8.890 1.00 0.41 C ATOM 208 O LYS A 15 3.207 3.359 8.213 1.00 0.42 O ATOM 209 CB LYS A 15 3.906 3.909 11.032 1.00 0.85 C ATOM 210 CG LYS A 15 4.632 4.325 12.305 1.00 1.63 C ATOM 211 CD LYS A 15 3.719 5.084 13.258 1.00 2.21 C ATOM 212 CE LYS A 15 3.431 6.497 12.768 1.00 2.74 C ATOM 213 NZ LYS A 15 4.623 7.385 12.875 1.00 3.52 N ATOM 0 H LYS A 15 5.456 4.613 8.630 1.00 0.47 H new ATOM 0 HA LYS A 15 5.315 2.373 10.514 1.00 0.55 H new ATOM 0 HB2 LYS A 15 3.481 4.797 10.563 1.00 0.85 H new ATOM 0 HB3 LYS A 15 3.073 3.259 11.299 1.00 0.85 H new ATOM 0 HG2 LYS A 15 5.023 3.439 12.806 1.00 1.63 H new ATOM 0 HG3 LYS A 15 5.487 4.950 12.047 1.00 1.63 H new ATOM 0 HD2 LYS A 15 2.781 4.541 13.371 1.00 2.21 H new ATOM 0 HD3 LYS A 15 4.181 5.129 14.244 1.00 2.21 H new ATOM 0 HE2 LYS A 15 3.100 6.459 11.730 1.00 2.74 H new ATOM 0 HE3 LYS A 15 2.611 6.921 13.348 1.00 2.74 H new ATOM 0 HZ1 LYS A 15 4.360 8.261 13.371 1.00 3.52 H new ATOM 0 HZ2 LYS A 15 5.372 6.898 13.406 1.00 3.52 H new ATOM 0 HZ3 LYS A 15 4.969 7.617 11.922 1.00 3.52 H new ATOM 219 N ILE A 16 4.022 1.307 8.674 1.00 0.40 N ATOM 220 CA ILE A 16 3.285 0.642 7.604 1.00 0.37 C ATOM 221 C ILE A 16 2.435 -0.493 8.166 1.00 0.38 C ATOM 222 O ILE A 16 2.964 -1.439 8.753 1.00 0.48 O ATOM 223 CB ILE A 16 4.243 0.055 6.540 1.00 0.51 C ATOM 224 CG1 ILE A 16 5.196 1.129 6.004 1.00 0.59 C ATOM 225 CG2 ILE A 16 3.455 -0.576 5.399 1.00 0.63 C ATOM 226 CD1 ILE A 16 4.503 2.267 5.288 1.00 0.99 C ATOM 0 H ILE A 16 4.608 0.684 9.229 1.00 0.40 H new ATOM 0 HA ILE A 16 2.647 1.393 7.138 1.00 0.37 H new ATOM 0 HB ILE A 16 4.842 -0.720 7.018 1.00 0.51 H new ATOM 0 HG12 ILE A 16 5.774 1.535 6.835 1.00 0.59 H new ATOM 0 HG13 ILE A 16 5.905 0.662 5.321 1.00 0.59 H new ATOM 0 HG21 ILE A 16 4.146 -0.983 4.661 1.00 0.63 H new ATOM 0 HG22 ILE A 16 2.828 -1.377 5.790 1.00 0.63 H new ATOM 0 HG23 ILE A 16 2.826 0.180 4.929 1.00 0.63 H new ATOM 0 HD11 ILE A 16 5.246 2.984 4.940 1.00 0.99 H new ATOM 0 HD12 ILE A 16 3.948 1.876 4.435 1.00 0.99 H new ATOM 0 HD13 ILE A 16 3.814 2.762 5.973 1.00 0.99 H new ATOM 236 N VAL A 17 1.133 -0.435 7.920 1.00 0.36 N ATOM 237 CA VAL A 17 0.230 -1.498 8.338 1.00 0.37 C ATOM 238 C VAL A 17 -0.060 -2.427 7.164 1.00 0.37 C ATOM 239 O VAL A 17 -0.713 -2.032 6.199 1.00 0.59 O ATOM 240 CB VAL A 17 -1.097 -0.928 8.881 1.00 0.51 C ATOM 241 CG1 VAL A 17 -1.995 -2.040 9.400 1.00 0.83 C ATOM 242 CG2 VAL A 17 -0.831 0.099 9.969 1.00 1.04 C ATOM 0 H VAL A 17 0.679 0.337 7.433 1.00 0.36 H new ATOM 0 HA VAL A 17 0.718 -2.054 9.138 1.00 0.37 H new ATOM 0 HB VAL A 17 -1.615 -0.433 8.059 1.00 0.51 H new ATOM 0 HG11 VAL A 17 -2.924 -1.612 9.777 1.00 0.83 H new ATOM 0 HG12 VAL A 17 -2.218 -2.735 8.591 1.00 0.83 H new ATOM 0 HG13 VAL A 17 -1.488 -2.572 10.205 1.00 0.83 H new ATOM 0 HG21 VAL A 17 -1.779 0.490 10.340 1.00 1.04 H new ATOM 0 HG22 VAL A 17 -0.287 -0.371 10.788 1.00 1.04 H new ATOM 0 HG23 VAL A 17 -0.236 0.916 9.561 1.00 1.04 H new ATOM 252 N MET A 18 0.456 -3.643 7.226 1.00 0.32 N ATOM 253 CA MET A 18 0.276 -4.595 6.139 1.00 0.42 C ATOM 254 C MET A 18 -0.954 -5.464 6.369 1.00 0.63 C ATOM 255 O MET A 18 -1.216 -5.904 7.489 1.00 0.87 O ATOM 256 CB MET A 18 1.517 -5.476 5.970 1.00 0.74 C ATOM 257 CG MET A 18 1.803 -6.384 7.156 1.00 1.20 C ATOM 258 SD MET A 18 3.261 -7.411 6.896 1.00 1.77 S ATOM 259 CE MET A 18 4.500 -6.146 6.641 1.00 2.03 C ATOM 0 H MET A 18 1.001 -3.995 8.013 1.00 0.32 H new ATOM 0 HA MET A 18 0.129 -4.023 5.223 1.00 0.42 H new ATOM 0 HB2 MET A 18 1.394 -6.090 5.078 1.00 0.74 H new ATOM 0 HB3 MET A 18 2.383 -4.836 5.800 1.00 0.74 H new ATOM 0 HG2 MET A 18 1.944 -5.777 8.050 1.00 1.20 H new ATOM 0 HG3 MET A 18 0.939 -7.023 7.338 1.00 1.20 H new ATOM 0 HE1 MET A 18 5.394 -6.391 7.215 1.00 2.03 H new ATOM 0 HE2 MET A 18 4.752 -6.092 5.582 1.00 2.03 H new ATOM 0 HE3 MET A 18 4.110 -5.183 6.970 1.00 2.03 H new ATOM 265 N GLY A 19 -1.707 -5.699 5.309 1.00 0.70 N ATOM 266 CA GLY A 19 -2.889 -6.528 5.403 1.00 1.09 C ATOM 267 C GLY A 19 -3.954 -6.104 4.423 1.00 0.88 C ATOM 268 O GLY A 19 -4.284 -4.924 4.340 1.00 1.71 O ATOM 0 H GLY A 19 -1.520 -5.328 4.378 1.00 0.70 H new ATOM 0 HA2 GLY A 19 -2.619 -7.568 5.218 1.00 1.09 H new ATOM 0 HA3 GLY A 19 -3.288 -6.478 6.416 1.00 1.09 H new ATOM 272 N ALA A 20 -4.507 -7.061 3.692 1.00 0.76 N ATOM 273 CA ALA A 20 -5.557 -6.769 2.728 1.00 0.53 C ATOM 274 C ALA A 20 -6.822 -6.300 3.438 1.00 0.48 C ATOM 275 O ALA A 20 -7.355 -5.231 3.141 1.00 0.49 O ATOM 276 CB ALA A 20 -5.841 -7.995 1.873 1.00 0.67 C ATOM 0 H ALA A 20 -4.246 -8.045 3.748 1.00 0.76 H new ATOM 0 HA ALA A 20 -5.218 -5.964 2.076 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -6.628 -7.764 1.156 1.00 0.67 H new ATOM 0 HB2 ALA A 20 -4.936 -8.283 1.338 1.00 0.67 H new ATOM 0 HB3 ALA A 20 -6.162 -8.818 2.512 1.00 0.67 H new ATOM 282 N ARG A 21 -7.235 -7.059 4.446 1.00 0.50 N ATOM 283 CA ARG A 21 -8.388 -6.699 5.263 1.00 0.54 C ATOM 284 C ARG A 21 -8.085 -5.468 6.109 1.00 0.49 C ATOM 285 O ARG A 21 -8.941 -4.599 6.290 1.00 0.54 O ATOM 286 CB ARG A 21 -8.787 -7.875 6.155 1.00 0.66 C ATOM 287 CG ARG A 21 -9.293 -9.077 5.372 1.00 1.48 C ATOM 288 CD ARG A 21 -9.286 -10.340 6.215 1.00 1.94 C ATOM 289 NE ARG A 21 -7.935 -10.702 6.641 1.00 2.79 N ATOM 290 CZ ARG A 21 -7.635 -11.808 7.320 1.00 3.74 C ATOM 291 NH1 ARG A 21 -8.570 -12.717 7.569 1.00 4.12 N ATOM 292 NH2 ARG A 21 -6.388 -12.030 7.711 1.00 4.68 N ATOM 0 H ARG A 21 -6.785 -7.933 4.719 1.00 0.50 H new ATOM 0 HA ARG A 21 -9.221 -6.461 4.602 1.00 0.54 H new ATOM 0 HB2 ARG A 21 -7.928 -8.176 6.754 1.00 0.66 H new ATOM 0 HB3 ARG A 21 -9.562 -7.550 6.849 1.00 0.66 H new ATOM 0 HG2 ARG A 21 -10.305 -8.881 5.018 1.00 1.48 H new ATOM 0 HG3 ARG A 21 -8.670 -9.225 4.490 1.00 1.48 H new ATOM 0 HD2 ARG A 21 -9.917 -10.195 7.092 1.00 1.94 H new ATOM 0 HD3 ARG A 21 -9.719 -11.161 5.643 1.00 1.94 H new ATOM 0 HE ARG A 21 -7.173 -10.067 6.403 1.00 2.79 H new ATOM 0 HH11 ARG A 21 -9.524 -12.570 7.240 1.00 4.12 H new ATOM 0 HH12 ARG A 21 -8.334 -13.562 8.089 1.00 4.12 H new ATOM 0 HH21 ARG A 21 -5.657 -11.353 7.492 1.00 4.68 H new ATOM 0 HH22 ARG A 21 -6.160 -12.877 8.231 1.00 4.68 H new ATOM 300 N LYS A 22 -6.849 -5.385 6.593 1.00 0.46 N ATOM 301 CA LYS A 22 -6.405 -4.242 7.383 1.00 0.49 C ATOM 302 C LYS A 22 -6.470 -2.958 6.560 1.00 0.47 C ATOM 303 O LYS A 22 -6.925 -1.922 7.045 1.00 0.49 O ATOM 304 CB LYS A 22 -4.978 -4.463 7.891 1.00 0.50 C ATOM 305 CG LYS A 22 -4.840 -5.648 8.834 1.00 0.80 C ATOM 306 CD LYS A 22 -5.637 -5.444 10.112 1.00 1.14 C ATOM 307 CE LYS A 22 -5.029 -4.363 10.991 1.00 1.61 C ATOM 308 NZ LYS A 22 -3.751 -4.799 11.614 1.00 1.91 N ATOM 0 H LYS A 22 -6.135 -6.099 6.451 1.00 0.46 H new ATOM 0 HA LYS A 22 -7.073 -4.143 8.238 1.00 0.49 H new ATOM 0 HB2 LYS A 22 -4.317 -4.611 7.037 1.00 0.50 H new ATOM 0 HB3 LYS A 22 -4.641 -3.562 8.403 1.00 0.50 H new ATOM 0 HG2 LYS A 22 -5.181 -6.554 8.333 1.00 0.80 H new ATOM 0 HG3 LYS A 22 -3.789 -5.797 9.080 1.00 0.80 H new ATOM 0 HD2 LYS A 22 -6.663 -5.174 9.861 1.00 1.14 H new ATOM 0 HD3 LYS A 22 -5.681 -6.381 10.667 1.00 1.14 H new ATOM 0 HE2 LYS A 22 -4.854 -3.468 10.394 1.00 1.61 H new ATOM 0 HE3 LYS A 22 -5.738 -4.091 11.773 1.00 1.61 H new ATOM 0 HZ1 LYS A 22 -3.451 -4.096 12.319 1.00 1.91 H new ATOM 0 HZ2 LYS A 22 -3.888 -5.719 12.079 1.00 1.91 H new ATOM 0 HZ3 LYS A 22 -3.019 -4.887 10.880 1.00 1.91 H new ATOM 314 N SER A 23 -6.029 -3.039 5.311 1.00 0.46 N ATOM 315 CA SER A 23 -6.044 -1.893 4.414 1.00 0.48 C ATOM 316 C SER A 23 -7.479 -1.445 4.147 1.00 0.48 C ATOM 317 O SER A 23 -7.766 -0.249 4.129 1.00 0.50 O ATOM 318 CB SER A 23 -5.336 -2.237 3.100 1.00 0.52 C ATOM 319 OG SER A 23 -5.198 -1.095 2.272 1.00 1.14 O ATOM 0 H SER A 23 -5.655 -3.892 4.895 1.00 0.46 H new ATOM 0 HA SER A 23 -5.509 -1.071 4.890 1.00 0.48 H new ATOM 0 HB2 SER A 23 -4.352 -2.654 3.314 1.00 0.52 H new ATOM 0 HB3 SER A 23 -5.900 -3.005 2.571 1.00 0.52 H new ATOM 0 HG SER A 23 -4.391 -1.184 1.724 1.00 1.14 H new ATOM 323 N ILE A 24 -8.384 -2.410 3.991 1.00 0.49 N ATOM 324 CA ILE A 24 -9.798 -2.110 3.785 1.00 0.52 C ATOM 325 C ILE A 24 -10.357 -1.327 4.969 1.00 0.49 C ATOM 326 O ILE A 24 -11.058 -0.330 4.793 1.00 0.52 O ATOM 327 CB ILE A 24 -10.631 -3.399 3.591 1.00 0.57 C ATOM 328 CG1 ILE A 24 -10.192 -4.127 2.321 1.00 0.63 C ATOM 329 CG2 ILE A 24 -12.118 -3.077 3.530 1.00 0.60 C ATOM 330 CD1 ILE A 24 -10.901 -5.445 2.094 1.00 0.66 C ATOM 0 H ILE A 24 -8.162 -3.406 4.003 1.00 0.49 H new ATOM 0 HA ILE A 24 -9.871 -1.509 2.879 1.00 0.52 H new ATOM 0 HB ILE A 24 -10.458 -4.051 4.447 1.00 0.57 H new ATOM 0 HG12 ILE A 24 -10.368 -3.478 1.463 1.00 0.63 H new ATOM 0 HG13 ILE A 24 -9.118 -4.307 2.370 1.00 0.63 H new ATOM 0 HG21 ILE A 24 -12.684 -3.998 3.393 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -12.425 -2.597 4.459 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -12.311 -2.405 2.694 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -10.536 -5.901 1.174 1.00 0.66 H new ATOM 0 HD12 ILE A 24 -10.705 -6.113 2.933 1.00 0.66 H new ATOM 0 HD13 ILE A 24 -11.974 -5.272 2.012 1.00 0.66 H new ATOM 340 N GLN A 25 -10.018 -1.774 6.174 1.00 0.47 N ATOM 341 CA GLN A 25 -10.486 -1.127 7.394 1.00 0.49 C ATOM 342 C GLN A 25 -9.970 0.311 7.485 1.00 0.44 C ATOM 343 O GLN A 25 -10.728 1.239 7.771 1.00 0.47 O ATOM 344 CB GLN A 25 -10.035 -1.927 8.620 1.00 0.54 C ATOM 345 CG GLN A 25 -10.667 -1.457 9.921 1.00 0.81 C ATOM 346 CD GLN A 25 -12.172 -1.646 9.940 1.00 1.35 C ATOM 347 OE1 GLN A 25 -12.896 -1.078 9.123 1.00 2.19 O ATOM 348 NE2 GLN A 25 -12.651 -2.453 10.870 1.00 1.75 N ATOM 0 H GLN A 25 -9.419 -2.584 6.332 1.00 0.47 H new ATOM 0 HA GLN A 25 -11.575 -1.097 7.368 1.00 0.49 H new ATOM 0 HB2 GLN A 25 -10.278 -2.978 8.467 1.00 0.54 H new ATOM 0 HB3 GLN A 25 -8.951 -1.860 8.708 1.00 0.54 H new ATOM 0 HG2 GLN A 25 -10.225 -2.004 10.754 1.00 0.81 H new ATOM 0 HG3 GLN A 25 -10.435 -0.403 10.073 1.00 0.81 H new ATOM 0 HE21 GLN A 25 -12.017 -2.905 11.529 1.00 1.75 H new ATOM 0 HE22 GLN A 25 -13.655 -2.624 10.929 1.00 1.75 H new ATOM 353 N TYR A 26 -8.681 0.487 7.215 1.00 0.41 N ATOM 354 CA TYR A 26 -8.060 1.807 7.253 1.00 0.42 C ATOM 355 C TYR A 26 -8.636 2.722 6.181 1.00 0.42 C ATOM 356 O TYR A 26 -8.878 3.904 6.430 1.00 0.46 O ATOM 357 CB TYR A 26 -6.543 1.693 7.091 1.00 0.43 C ATOM 358 CG TYR A 26 -5.816 1.353 8.376 1.00 0.46 C ATOM 359 CD1 TYR A 26 -6.248 0.316 9.196 1.00 0.47 C ATOM 360 CD2 TYR A 26 -4.702 2.081 8.773 1.00 0.56 C ATOM 361 CE1 TYR A 26 -5.588 0.015 10.372 1.00 0.54 C ATOM 362 CE2 TYR A 26 -4.038 1.784 9.945 1.00 0.62 C ATOM 363 CZ TYR A 26 -4.483 0.754 10.741 1.00 0.57 C ATOM 364 OH TYR A 26 -3.823 0.465 11.913 1.00 0.66 O ATOM 0 H TYR A 26 -8.044 -0.270 6.967 1.00 0.41 H new ATOM 0 HA TYR A 26 -8.278 2.247 8.226 1.00 0.42 H new ATOM 0 HB2 TYR A 26 -6.323 0.928 6.346 1.00 0.43 H new ATOM 0 HB3 TYR A 26 -6.156 2.636 6.704 1.00 0.43 H new ATOM 0 HD1 TYR A 26 -7.113 -0.263 8.909 1.00 0.47 H new ATOM 0 HD2 TYR A 26 -4.350 2.893 8.154 1.00 0.56 H new ATOM 0 HE1 TYR A 26 -5.935 -0.794 10.998 1.00 0.54 H new ATOM 0 HE2 TYR A 26 -3.171 2.358 10.237 1.00 0.62 H new ATOM 0 HH TYR A 26 -3.067 1.079 12.023 1.00 0.66 H new ATOM 372 N ALA A 27 -8.867 2.171 4.994 1.00 0.40 N ATOM 373 CA ALA A 27 -9.440 2.935 3.891 1.00 0.44 C ATOM 374 C ALA A 27 -10.874 3.344 4.203 1.00 0.48 C ATOM 375 O ALA A 27 -11.286 4.471 3.923 1.00 0.55 O ATOM 376 CB ALA A 27 -9.391 2.128 2.605 1.00 0.47 C ATOM 0 H ALA A 27 -8.666 1.196 4.771 1.00 0.40 H new ATOM 0 HA ALA A 27 -8.846 3.840 3.760 1.00 0.44 H new ATOM 0 HB1 ALA A 27 -9.822 2.712 1.792 1.00 0.47 H new ATOM 0 HB2 ALA A 27 -8.355 1.885 2.367 1.00 0.47 H new ATOM 0 HB3 ALA A 27 -9.960 1.207 2.731 1.00 0.47 H new ATOM 382 N LYS A 28 -11.620 2.412 4.788 1.00 0.48 N ATOM 383 CA LYS A 28 -13.012 2.638 5.155 1.00 0.56 C ATOM 384 C LYS A 28 -13.128 3.787 6.147 1.00 0.62 C ATOM 385 O LYS A 28 -13.936 4.699 5.970 1.00 0.73 O ATOM 386 CB LYS A 28 -13.594 1.361 5.770 1.00 0.58 C ATOM 387 CG LYS A 28 -15.059 1.470 6.155 1.00 1.02 C ATOM 388 CD LYS A 28 -15.563 0.183 6.791 1.00 1.11 C ATOM 389 CE LYS A 28 -15.428 -0.994 5.841 1.00 1.31 C ATOM 390 NZ LYS A 28 -15.977 -2.249 6.414 1.00 2.06 N ATOM 0 H LYS A 28 -11.276 1.480 5.020 1.00 0.48 H new ATOM 0 HA LYS A 28 -13.572 2.900 4.257 1.00 0.56 H new ATOM 0 HB2 LYS A 28 -13.476 0.542 5.060 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -13.015 1.101 6.656 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -15.193 2.298 6.851 1.00 1.02 H new ATOM 0 HG3 LYS A 28 -15.653 1.697 5.270 1.00 1.02 H new ATOM 0 HD2 LYS A 28 -15.002 -0.018 7.704 1.00 1.11 H new ATOM 0 HD3 LYS A 28 -16.608 0.302 7.079 1.00 1.11 H new ATOM 0 HE2 LYS A 28 -15.945 -0.766 4.909 1.00 1.31 H new ATOM 0 HE3 LYS A 28 -14.376 -1.140 5.594 1.00 1.31 H new ATOM 0 HZ1 LYS A 28 -15.862 -3.023 5.729 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -15.467 -2.483 7.290 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -16.987 -2.121 6.625 1.00 2.06 H new ATOM 396 N MET A 29 -12.319 3.731 7.194 1.00 0.60 N ATOM 397 CA MET A 29 -12.340 4.752 8.229 1.00 0.73 C ATOM 398 C MET A 29 -11.735 6.057 7.724 1.00 0.75 C ATOM 399 O MET A 29 -12.193 7.143 8.078 1.00 1.07 O ATOM 400 CB MET A 29 -11.586 4.271 9.467 1.00 1.26 C ATOM 401 CG MET A 29 -11.647 5.245 10.633 1.00 1.48 C ATOM 402 SD MET A 29 -13.329 5.543 11.213 1.00 2.39 S ATOM 403 CE MET A 29 -13.834 3.880 11.651 1.00 3.09 C ATOM 0 H MET A 29 -11.638 2.987 7.349 1.00 0.60 H new ATOM 0 HA MET A 29 -13.380 4.937 8.496 1.00 0.73 H new ATOM 0 HB2 MET A 29 -11.997 3.312 9.783 1.00 1.26 H new ATOM 0 HB3 MET A 29 -10.543 4.098 9.203 1.00 1.26 H new ATOM 0 HG2 MET A 29 -11.048 4.856 11.456 1.00 1.48 H new ATOM 0 HG3 MET A 29 -11.199 6.192 10.332 1.00 1.48 H new ATOM 0 HE1 MET A 29 -14.691 3.925 12.323 1.00 3.09 H new ATOM 0 HE2 MET A 29 -14.109 3.334 10.749 1.00 3.09 H new ATOM 0 HE3 MET A 29 -13.010 3.368 12.148 1.00 3.09 H new ATOM 409 N GLY A 30 -10.670 5.944 6.943 1.00 0.77 N ATOM 410 CA GLY A 30 -9.973 7.122 6.474 1.00 1.31 C ATOM 411 C GLY A 30 -8.826 7.489 7.388 1.00 0.87 C ATOM 412 O GLY A 30 -8.852 8.531 8.042 1.00 1.43 O ATOM 0 H GLY A 30 -10.277 5.058 6.626 1.00 0.77 H new ATOM 0 HA2 GLY A 30 -9.595 6.945 5.467 1.00 1.31 H new ATOM 0 HA3 GLY A 30 -10.670 7.957 6.411 1.00 1.31 H new ATOM 416 N GLY A 31 -7.870 6.581 7.518 1.00 0.71 N ATOM 417 CA GLY A 31 -6.767 6.797 8.432 1.00 1.01 C ATOM 418 C GLY A 31 -5.450 6.299 7.875 1.00 1.00 C ATOM 419 O GLY A 31 -4.807 5.427 8.464 1.00 1.67 O ATOM 0 H GLY A 31 -7.838 5.699 7.007 1.00 0.71 H new ATOM 0 HA2 GLY A 31 -6.685 7.861 8.654 1.00 1.01 H new ATOM 0 HA3 GLY A 31 -6.975 6.290 9.374 1.00 1.01 H new ATOM 423 N ALA A 32 -5.061 6.837 6.727 1.00 0.55 N ATOM 424 CA ALA A 32 -3.818 6.449 6.073 1.00 0.47 C ATOM 425 C ALA A 32 -3.372 7.525 5.092 1.00 0.42 C ATOM 426 O ALA A 32 -4.191 8.095 4.373 1.00 0.45 O ATOM 427 CB ALA A 32 -3.985 5.119 5.350 1.00 0.45 C ATOM 0 H ALA A 32 -5.593 7.549 6.226 1.00 0.55 H new ATOM 0 HA ALA A 32 -3.052 6.335 6.840 1.00 0.47 H new ATOM 0 HB1 ALA A 32 -3.046 4.846 4.868 1.00 0.45 H new ATOM 0 HB2 ALA A 32 -4.262 4.347 6.068 1.00 0.45 H new ATOM 0 HB3 ALA A 32 -4.767 5.210 4.596 1.00 0.45 H new ATOM 433 N LYS A 33 -2.078 7.813 5.088 1.00 0.43 N ATOM 434 CA LYS A 33 -1.518 8.830 4.207 1.00 0.45 C ATOM 435 C LYS A 33 -1.515 8.346 2.758 1.00 0.40 C ATOM 436 O LYS A 33 -1.943 9.060 1.850 1.00 0.43 O ATOM 437 CB LYS A 33 -0.095 9.190 4.657 1.00 0.54 C ATOM 438 CG LYS A 33 0.589 10.234 3.786 1.00 1.19 C ATOM 439 CD LYS A 33 -0.179 11.550 3.767 1.00 1.27 C ATOM 440 CE LYS A 33 -0.140 12.255 5.114 1.00 1.41 C ATOM 441 NZ LYS A 33 1.238 12.669 5.487 1.00 1.85 N ATOM 0 H LYS A 33 -1.393 7.354 5.688 1.00 0.43 H new ATOM 0 HA LYS A 33 -2.141 9.722 4.265 1.00 0.45 H new ATOM 0 HB2 LYS A 33 -0.132 9.557 5.683 1.00 0.54 H new ATOM 0 HB3 LYS A 33 0.512 8.285 4.664 1.00 0.54 H new ATOM 0 HG2 LYS A 33 1.600 10.409 4.155 1.00 1.19 H new ATOM 0 HG3 LYS A 33 0.682 9.853 2.769 1.00 1.19 H new ATOM 0 HD2 LYS A 33 0.242 12.204 3.004 1.00 1.27 H new ATOM 0 HD3 LYS A 33 -1.215 11.360 3.487 1.00 1.27 H new ATOM 0 HE2 LYS A 33 -0.786 13.132 5.083 1.00 1.41 H new ATOM 0 HE3 LYS A 33 -0.540 11.592 5.882 1.00 1.41 H new ATOM 0 HZ1 LYS A 33 1.196 13.343 6.278 1.00 1.85 H new ATOM 0 HZ2 LYS A 33 1.786 11.833 5.773 1.00 1.85 H new ATOM 0 HZ3 LYS A 33 1.697 13.122 4.671 1.00 1.85 H new ATOM 447 N LEU A 34 -1.045 7.125 2.558 1.00 0.36 N ATOM 448 CA LEU A 34 -1.004 6.520 1.234 1.00 0.34 C ATOM 449 C LEU A 34 -1.342 5.041 1.337 1.00 0.32 C ATOM 450 O LEU A 34 -0.959 4.390 2.298 1.00 0.49 O ATOM 451 CB LEU A 34 0.389 6.694 0.616 1.00 0.40 C ATOM 452 CG LEU A 34 0.563 6.113 -0.791 1.00 0.51 C ATOM 453 CD1 LEU A 34 -0.248 6.905 -1.802 1.00 1.06 C ATOM 454 CD2 LEU A 34 2.031 6.095 -1.183 1.00 0.99 C ATOM 0 H LEU A 34 -0.683 6.528 3.302 1.00 0.36 H new ATOM 0 HA LEU A 34 -1.736 7.014 0.595 1.00 0.34 H new ATOM 0 HB2 LEU A 34 0.622 7.758 0.582 1.00 0.40 H new ATOM 0 HB3 LEU A 34 1.121 6.228 1.276 1.00 0.40 H new ATOM 0 HG LEU A 34 0.195 5.087 -0.785 1.00 0.51 H new ATOM 0 HD11 LEU A 34 -0.111 6.476 -2.795 1.00 1.06 H new ATOM 0 HD12 LEU A 34 -1.303 6.866 -1.533 1.00 1.06 H new ATOM 0 HD13 LEU A 34 0.087 7.942 -1.805 1.00 1.06 H new ATOM 0 HD21 LEU A 34 2.135 5.679 -2.185 1.00 0.99 H new ATOM 0 HD22 LEU A 34 2.424 7.112 -1.170 1.00 0.99 H new ATOM 0 HD23 LEU A 34 2.589 5.481 -0.476 1.00 0.99 H new ATOM 464 N ILE A 35 -2.038 4.501 0.352 1.00 0.26 N ATOM 465 CA ILE A 35 -2.345 3.076 0.355 1.00 0.23 C ATOM 466 C ILE A 35 -1.806 2.414 -0.905 1.00 0.24 C ATOM 467 O ILE A 35 -2.041 2.890 -2.016 1.00 0.31 O ATOM 468 CB ILE A 35 -3.863 2.810 0.484 1.00 0.25 C ATOM 469 CG1 ILE A 35 -4.361 3.275 1.855 1.00 0.25 C ATOM 470 CG2 ILE A 35 -4.172 1.332 0.274 1.00 0.26 C ATOM 471 CD1 ILE A 35 -5.836 3.032 2.088 1.00 0.30 C ATOM 0 H ILE A 35 -2.398 5.017 -0.451 1.00 0.26 H new ATOM 0 HA ILE A 35 -1.857 2.643 1.228 1.00 0.23 H new ATOM 0 HB ILE A 35 -4.383 3.376 -0.289 1.00 0.25 H new ATOM 0 HG12 ILE A 35 -3.792 2.762 2.630 1.00 0.25 H new ATOM 0 HG13 ILE A 35 -4.157 4.340 1.962 1.00 0.25 H new ATOM 0 HG21 ILE A 35 -5.245 1.168 0.369 1.00 0.26 H new ATOM 0 HG22 ILE A 35 -3.845 1.030 -0.721 1.00 0.26 H new ATOM 0 HG23 ILE A 35 -3.646 0.740 1.024 1.00 0.26 H new ATOM 0 HD11 ILE A 35 -6.111 3.388 3.081 1.00 0.30 H new ATOM 0 HD12 ILE A 35 -6.416 3.567 1.336 1.00 0.30 H new ATOM 0 HD13 ILE A 35 -6.045 1.965 2.015 1.00 0.30 H new ATOM 481 N ILE A 36 -1.075 1.323 -0.729 1.00 0.22 N ATOM 482 CA ILE A 36 -0.517 0.595 -1.856 1.00 0.25 C ATOM 483 C ILE A 36 -1.098 -0.810 -1.905 1.00 0.24 C ATOM 484 O ILE A 36 -1.070 -1.536 -0.911 1.00 0.25 O ATOM 485 CB ILE A 36 1.026 0.517 -1.773 1.00 0.29 C ATOM 486 CG1 ILE A 36 1.623 1.924 -1.678 1.00 0.32 C ATOM 487 CG2 ILE A 36 1.593 -0.223 -2.980 1.00 0.34 C ATOM 488 CD1 ILE A 36 3.125 1.941 -1.489 1.00 0.40 C ATOM 0 H ILE A 36 -0.855 0.924 0.183 1.00 0.22 H new ATOM 0 HA ILE A 36 -0.781 1.135 -2.765 1.00 0.25 H new ATOM 0 HB ILE A 36 1.296 -0.038 -0.875 1.00 0.29 H new ATOM 0 HG12 ILE A 36 1.374 2.476 -2.585 1.00 0.32 H new ATOM 0 HG13 ILE A 36 1.156 2.451 -0.846 1.00 0.32 H new ATOM 0 HG21 ILE A 36 2.679 -0.267 -2.902 1.00 0.34 H new ATOM 0 HG22 ILE A 36 1.190 -1.235 -3.008 1.00 0.34 H new ATOM 0 HG23 ILE A 36 1.315 0.304 -3.893 1.00 0.34 H new ATOM 0 HD11 ILE A 36 3.473 2.972 -1.431 1.00 0.40 H new ATOM 0 HD12 ILE A 36 3.382 1.419 -0.567 1.00 0.40 H new ATOM 0 HD13 ILE A 36 3.604 1.444 -2.333 1.00 0.40 H new ATOM 498 N VAL A 37 -1.654 -1.174 -3.050 1.00 0.25 N ATOM 499 CA VAL A 37 -2.269 -2.480 -3.217 1.00 0.25 C ATOM 500 C VAL A 37 -1.740 -3.153 -4.477 1.00 0.23 C ATOM 501 O VAL A 37 -1.588 -2.509 -5.513 1.00 0.26 O ATOM 502 CB VAL A 37 -3.816 -2.385 -3.295 1.00 0.31 C ATOM 503 CG1 VAL A 37 -4.381 -1.718 -2.052 1.00 0.34 C ATOM 504 CG2 VAL A 37 -4.268 -1.641 -4.545 1.00 0.31 C ATOM 0 H VAL A 37 -1.692 -0.581 -3.879 1.00 0.25 H new ATOM 0 HA VAL A 37 -2.009 -3.075 -2.341 1.00 0.25 H new ATOM 0 HB VAL A 37 -4.202 -3.403 -3.351 1.00 0.31 H new ATOM 0 HG11 VAL A 37 -5.467 -1.663 -2.130 1.00 0.34 H new ATOM 0 HG12 VAL A 37 -4.110 -2.300 -1.171 1.00 0.34 H new ATOM 0 HG13 VAL A 37 -3.972 -0.712 -1.961 1.00 0.34 H new ATOM 0 HG21 VAL A 37 -5.357 -1.594 -4.567 1.00 0.31 H new ATOM 0 HG22 VAL A 37 -3.861 -0.630 -4.534 1.00 0.31 H new ATOM 0 HG23 VAL A 37 -3.910 -2.166 -5.430 1.00 0.31 H new ATOM 514 N ALA A 38 -1.476 -4.448 -4.398 1.00 0.20 N ATOM 515 CA ALA A 38 -1.031 -5.194 -5.561 1.00 0.21 C ATOM 516 C ALA A 38 -2.147 -5.230 -6.594 1.00 0.27 C ATOM 517 O ALA A 38 -3.297 -5.505 -6.261 1.00 0.33 O ATOM 518 CB ALA A 38 -0.611 -6.601 -5.169 1.00 0.26 C ATOM 0 H ALA A 38 -1.562 -5.000 -3.545 1.00 0.20 H new ATOM 0 HA ALA A 38 -0.162 -4.698 -5.993 1.00 0.21 H new ATOM 0 HB1 ALA A 38 -0.281 -7.143 -6.056 1.00 0.26 H new ATOM 0 HB2 ALA A 38 0.207 -6.550 -4.450 1.00 0.26 H new ATOM 0 HB3 ALA A 38 -1.457 -7.121 -4.720 1.00 0.26 H new ATOM 524 N ARG A 39 -1.835 -4.850 -7.826 1.00 0.41 N ATOM 525 CA ARG A 39 -2.858 -4.762 -8.861 1.00 0.56 C ATOM 526 C ARG A 39 -3.417 -6.145 -9.173 1.00 0.54 C ATOM 527 O ARG A 39 -4.584 -6.288 -9.536 1.00 0.60 O ATOM 528 CB ARG A 39 -2.311 -4.094 -10.130 1.00 0.77 C ATOM 529 CG ARG A 39 -1.280 -4.916 -10.886 1.00 0.96 C ATOM 530 CD ARG A 39 -0.831 -4.202 -12.152 1.00 1.49 C ATOM 531 NE ARG A 39 -1.961 -3.866 -13.018 1.00 2.48 N ATOM 532 CZ ARG A 39 -1.865 -3.158 -14.145 1.00 3.10 C ATOM 533 NH1 ARG A 39 -0.685 -2.732 -14.580 1.00 3.10 N ATOM 534 NH2 ARG A 39 -2.959 -2.880 -14.835 1.00 4.14 N ATOM 0 H ARG A 39 -0.894 -4.600 -8.131 1.00 0.41 H new ATOM 0 HA ARG A 39 -3.668 -4.138 -8.484 1.00 0.56 H new ATOM 0 HB2 ARG A 39 -3.144 -3.878 -10.798 1.00 0.77 H new ATOM 0 HB3 ARG A 39 -1.864 -3.138 -9.857 1.00 0.77 H new ATOM 0 HG2 ARG A 39 -0.418 -5.103 -10.245 1.00 0.96 H new ATOM 0 HG3 ARG A 39 -1.702 -5.887 -11.143 1.00 0.96 H new ATOM 0 HD2 ARG A 39 -0.295 -3.291 -11.885 1.00 1.49 H new ATOM 0 HD3 ARG A 39 -0.131 -4.835 -12.697 1.00 1.49 H new ATOM 0 HE ARG A 39 -2.886 -4.196 -12.741 1.00 2.48 H new ATOM 0 HH11 ARG A 39 0.161 -2.945 -14.051 1.00 3.10 H new ATOM 0 HH12 ARG A 39 -0.624 -2.192 -15.443 1.00 3.10 H new ATOM 0 HH21 ARG A 39 -3.867 -3.206 -14.504 1.00 4.14 H new ATOM 0 HH22 ARG A 39 -2.894 -2.339 -15.697 1.00 4.14 H new ATOM 542 N ASN A 40 -2.590 -7.167 -8.984 1.00 0.55 N ATOM 543 CA ASN A 40 -3.005 -8.544 -9.218 1.00 0.64 C ATOM 544 C ASN A 40 -3.576 -9.172 -7.939 1.00 0.58 C ATOM 545 O ASN A 40 -3.692 -10.394 -7.827 1.00 0.87 O ATOM 546 CB ASN A 40 -1.818 -9.370 -9.730 1.00 0.81 C ATOM 547 CG ASN A 40 -2.233 -10.683 -10.380 1.00 1.57 C ATOM 548 OD1 ASN A 40 -1.411 -11.578 -10.569 1.00 2.18 O ATOM 549 ND2 ASN A 40 -3.496 -10.796 -10.765 1.00 2.33 N ATOM 0 H ASN A 40 -1.625 -7.067 -8.668 1.00 0.55 H new ATOM 0 HA ASN A 40 -3.791 -8.541 -9.973 1.00 0.64 H new ATOM 0 HB2 ASN A 40 -1.256 -8.777 -10.452 1.00 0.81 H new ATOM 0 HB3 ASN A 40 -1.146 -9.581 -8.898 1.00 0.81 H new ATOM 0 HD21 ASN A 40 -3.812 -11.645 -11.234 1.00 2.33 H new ATOM 0 HD22 ASN A 40 -4.152 -10.034 -10.592 1.00 2.33 H new ATOM 554 N ALA A 41 -3.963 -8.334 -6.987 1.00 0.46 N ATOM 555 CA ALA A 41 -4.571 -8.816 -5.753 1.00 0.43 C ATOM 556 C ALA A 41 -6.023 -9.197 -5.992 1.00 0.40 C ATOM 557 O ALA A 41 -6.585 -8.878 -7.041 1.00 0.44 O ATOM 558 CB ALA A 41 -4.471 -7.773 -4.650 1.00 0.47 C ATOM 0 H ALA A 41 -3.867 -7.320 -7.044 1.00 0.46 H new ATOM 0 HA ALA A 41 -4.024 -9.702 -5.430 1.00 0.43 H new ATOM 0 HB1 ALA A 41 -4.932 -8.159 -3.741 1.00 0.47 H new ATOM 0 HB2 ALA A 41 -3.422 -7.547 -4.457 1.00 0.47 H new ATOM 0 HB3 ALA A 41 -4.987 -6.864 -4.961 1.00 0.47 H new ATOM 564 N ARG A 42 -6.616 -9.901 -5.034 1.00 0.40 N ATOM 565 CA ARG A 42 -8.001 -10.341 -5.152 1.00 0.43 C ATOM 566 C ARG A 42 -8.933 -9.157 -5.390 1.00 0.44 C ATOM 567 O ARG A 42 -8.828 -8.127 -4.718 1.00 0.42 O ATOM 568 CB ARG A 42 -8.430 -11.101 -3.898 1.00 0.50 C ATOM 569 CG ARG A 42 -7.724 -12.435 -3.722 1.00 0.61 C ATOM 570 CD ARG A 42 -8.081 -13.408 -4.836 1.00 1.23 C ATOM 571 NE ARG A 42 -7.421 -14.700 -4.659 1.00 2.10 N ATOM 572 CZ ARG A 42 -6.134 -14.927 -4.913 1.00 2.98 C ATOM 573 NH1 ARG A 42 -5.407 -14.023 -5.564 1.00 3.25 N ATOM 574 NH2 ARG A 42 -5.591 -16.089 -4.575 1.00 3.98 N ATOM 0 H ARG A 42 -6.158 -10.179 -4.166 1.00 0.40 H new ATOM 0 HA ARG A 42 -8.068 -11.009 -6.010 1.00 0.43 H new ATOM 0 HB2 ARG A 42 -8.237 -10.480 -3.023 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -9.506 -11.272 -3.937 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -6.646 -12.278 -3.707 1.00 0.61 H new ATOM 0 HG3 ARG A 42 -7.996 -12.867 -2.759 1.00 0.61 H new ATOM 0 HD2 ARG A 42 -9.161 -13.552 -4.861 1.00 1.23 H new ATOM 0 HD3 ARG A 42 -7.794 -12.982 -5.797 1.00 1.23 H new ATOM 0 HE ARG A 42 -7.984 -15.479 -4.318 1.00 2.10 H new ATOM 0 HH11 ARG A 42 -5.835 -13.150 -5.872 1.00 3.25 H new ATOM 0 HH12 ARG A 42 -4.421 -14.203 -5.755 1.00 3.25 H new ATOM 0 HH21 ARG A 42 -6.159 -16.805 -4.122 1.00 3.98 H new ATOM 0 HH22 ARG A 42 -4.605 -16.267 -4.768 1.00 3.98 H new ATOM 582 N PRO A 43 -9.829 -9.281 -6.382 1.00 0.50 N ATOM 583 CA PRO A 43 -10.760 -8.216 -6.763 1.00 0.58 C ATOM 584 C PRO A 43 -11.607 -7.737 -5.590 1.00 0.60 C ATOM 585 O PRO A 43 -11.844 -6.539 -5.442 1.00 0.64 O ATOM 586 CB PRO A 43 -11.645 -8.860 -7.839 1.00 0.67 C ATOM 587 CG PRO A 43 -11.370 -10.324 -7.768 1.00 0.86 C ATOM 588 CD PRO A 43 -9.971 -10.459 -7.246 1.00 0.55 C ATOM 0 HA PRO A 43 -10.231 -7.330 -7.113 1.00 0.58 H new ATOM 0 HB2 PRO A 43 -12.699 -8.651 -7.655 1.00 0.67 H new ATOM 0 HB3 PRO A 43 -11.409 -8.465 -8.827 1.00 0.67 H new ATOM 0 HG2 PRO A 43 -12.081 -10.823 -7.110 1.00 0.86 H new ATOM 0 HG3 PRO A 43 -11.466 -10.787 -8.750 1.00 0.86 H new ATOM 0 HD2 PRO A 43 -9.835 -11.387 -6.690 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -9.237 -10.460 -8.052 1.00 0.55 H new ATOM 590 N ASP A 44 -12.020 -8.675 -4.740 1.00 0.61 N ATOM 591 CA ASP A 44 -12.820 -8.358 -3.553 1.00 0.68 C ATOM 592 C ASP A 44 -12.107 -7.330 -2.679 1.00 0.60 C ATOM 593 O ASP A 44 -12.704 -6.350 -2.233 1.00 0.65 O ATOM 594 CB ASP A 44 -13.060 -9.632 -2.736 1.00 0.77 C ATOM 595 CG ASP A 44 -14.073 -9.452 -1.621 1.00 1.62 C ATOM 596 OD1 ASP A 44 -14.831 -8.460 -1.640 1.00 2.48 O ATOM 597 OD2 ASP A 44 -14.141 -10.334 -0.736 1.00 2.04 O ATOM 0 H ASP A 44 -11.813 -9.668 -4.850 1.00 0.61 H new ATOM 0 HA ASP A 44 -13.772 -7.942 -3.882 1.00 0.68 H new ATOM 0 HB2 ASP A 44 -13.402 -10.423 -3.403 1.00 0.77 H new ATOM 0 HB3 ASP A 44 -12.114 -9.963 -2.307 1.00 0.77 H new ATOM 600 N ILE A 45 -10.814 -7.549 -2.477 1.00 0.50 N ATOM 601 CA ILE A 45 -9.991 -6.658 -1.673 1.00 0.44 C ATOM 602 C ILE A 45 -9.861 -5.288 -2.334 1.00 0.40 C ATOM 603 O ILE A 45 -10.082 -4.255 -1.700 1.00 0.38 O ATOM 604 CB ILE A 45 -8.584 -7.263 -1.459 1.00 0.45 C ATOM 605 CG1 ILE A 45 -8.689 -8.613 -0.741 1.00 0.54 C ATOM 606 CG2 ILE A 45 -7.692 -6.310 -0.679 1.00 0.42 C ATOM 607 CD1 ILE A 45 -9.324 -8.534 0.633 1.00 0.62 C ATOM 0 H ILE A 45 -10.309 -8.346 -2.864 1.00 0.50 H new ATOM 0 HA ILE A 45 -10.481 -6.537 -0.707 1.00 0.44 H new ATOM 0 HB ILE A 45 -8.130 -7.422 -2.437 1.00 0.45 H new ATOM 0 HG12 ILE A 45 -9.270 -9.297 -1.359 1.00 0.54 H new ATOM 0 HG13 ILE A 45 -7.691 -9.040 -0.644 1.00 0.54 H new ATOM 0 HG21 ILE A 45 -6.709 -6.761 -0.543 1.00 0.42 H new ATOM 0 HG22 ILE A 45 -7.589 -5.375 -1.230 1.00 0.42 H new ATOM 0 HG23 ILE A 45 -8.137 -6.110 0.296 1.00 0.42 H new ATOM 0 HD11 ILE A 45 -9.361 -9.530 1.074 1.00 0.62 H new ATOM 0 HD12 ILE A 45 -8.732 -7.877 1.270 1.00 0.62 H new ATOM 0 HD13 ILE A 45 -10.336 -8.138 0.544 1.00 0.62 H new ATOM 617 N LYS A 46 -9.501 -5.293 -3.611 1.00 0.45 N ATOM 618 CA LYS A 46 -9.299 -4.056 -4.357 1.00 0.50 C ATOM 619 C LYS A 46 -10.579 -3.227 -4.430 1.00 0.52 C ATOM 620 O LYS A 46 -10.534 -2.001 -4.350 1.00 0.51 O ATOM 621 CB LYS A 46 -8.794 -4.362 -5.769 1.00 0.58 C ATOM 622 CG LYS A 46 -7.433 -5.037 -5.797 1.00 0.59 C ATOM 623 CD LYS A 46 -6.944 -5.272 -7.219 1.00 0.74 C ATOM 624 CE LYS A 46 -7.865 -6.212 -7.980 1.00 1.09 C ATOM 625 NZ LYS A 46 -7.357 -6.510 -9.345 1.00 1.59 N ATOM 0 H LYS A 46 -9.342 -6.142 -4.154 1.00 0.45 H new ATOM 0 HA LYS A 46 -8.549 -3.471 -3.825 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -9.518 -5.002 -6.274 1.00 0.58 H new ATOM 0 HB3 LYS A 46 -8.741 -3.433 -6.336 1.00 0.58 H new ATOM 0 HG2 LYS A 46 -6.711 -4.420 -5.262 1.00 0.59 H new ATOM 0 HG3 LYS A 46 -7.490 -5.990 -5.271 1.00 0.59 H new ATOM 0 HD2 LYS A 46 -6.881 -4.319 -7.745 1.00 0.74 H new ATOM 0 HD3 LYS A 46 -5.937 -5.689 -7.194 1.00 0.74 H new ATOM 0 HE2 LYS A 46 -7.973 -7.143 -7.423 1.00 1.09 H new ATOM 0 HE3 LYS A 46 -8.857 -5.767 -8.052 1.00 1.09 H new ATOM 0 HZ1 LYS A 46 -7.747 -7.417 -9.670 1.00 1.59 H new ATOM 0 HZ2 LYS A 46 -7.649 -5.754 -9.997 1.00 1.59 H new ATOM 0 HZ3 LYS A 46 -6.319 -6.567 -9.324 1.00 1.59 H new ATOM 631 N GLU A 47 -11.709 -3.898 -4.634 1.00 0.59 N ATOM 632 CA GLU A 47 -12.994 -3.221 -4.779 1.00 0.65 C ATOM 633 C GLU A 47 -13.334 -2.406 -3.534 1.00 0.55 C ATOM 634 O GLU A 47 -13.783 -1.263 -3.638 1.00 0.55 O ATOM 635 CB GLU A 47 -14.098 -4.239 -5.061 1.00 0.79 C ATOM 636 CG GLU A 47 -14.868 -3.960 -6.343 1.00 1.15 C ATOM 637 CD GLU A 47 -15.640 -2.655 -6.292 1.00 1.76 C ATOM 638 OE1 GLU A 47 -16.607 -2.561 -5.508 1.00 2.60 O ATOM 639 OE2 GLU A 47 -15.288 -1.722 -7.043 1.00 2.06 O ATOM 0 H GLU A 47 -11.761 -4.914 -4.703 1.00 0.59 H new ATOM 0 HA GLU A 47 -12.919 -2.533 -5.621 1.00 0.65 H new ATOM 0 HB2 GLU A 47 -13.657 -5.234 -5.121 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -14.795 -4.249 -4.223 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -14.172 -3.933 -7.181 1.00 1.15 H new ATOM 0 HG3 GLU A 47 -15.561 -4.780 -6.531 1.00 1.15 H new ATOM 642 N ASP A 48 -13.111 -2.983 -2.361 1.00 0.50 N ATOM 643 CA ASP A 48 -13.382 -2.279 -1.112 1.00 0.47 C ATOM 644 C ASP A 48 -12.383 -1.147 -0.892 1.00 0.35 C ATOM 645 O ASP A 48 -12.774 -0.017 -0.604 1.00 0.36 O ATOM 646 CB ASP A 48 -13.341 -3.232 0.090 1.00 0.55 C ATOM 647 CG ASP A 48 -14.649 -3.965 0.321 1.00 0.62 C ATOM 648 OD1 ASP A 48 -15.073 -4.740 -0.565 1.00 1.21 O ATOM 649 OD2 ASP A 48 -15.276 -3.757 1.377 1.00 1.00 O ATOM 0 H ASP A 48 -12.746 -3.929 -2.247 1.00 0.50 H new ATOM 0 HA ASP A 48 -14.385 -1.861 -1.195 1.00 0.47 H new ATOM 0 HB2 ASP A 48 -12.546 -3.962 -0.061 1.00 0.55 H new ATOM 0 HB3 ASP A 48 -13.087 -2.665 0.986 1.00 0.55 H new ATOM 652 N ILE A 49 -11.094 -1.469 -0.976 1.00 0.29 N ATOM 653 CA ILE A 49 -10.042 -0.500 -0.674 1.00 0.24 C ATOM 654 C ILE A 49 -10.146 0.761 -1.528 1.00 0.26 C ATOM 655 O ILE A 49 -10.196 1.867 -0.994 1.00 0.26 O ATOM 656 CB ILE A 49 -8.635 -1.113 -0.856 1.00 0.24 C ATOM 657 CG1 ILE A 49 -8.437 -2.267 0.125 1.00 0.30 C ATOM 658 CG2 ILE A 49 -7.557 -0.055 -0.656 1.00 0.35 C ATOM 659 CD1 ILE A 49 -7.096 -2.954 -0.007 1.00 0.36 C ATOM 0 H ILE A 49 -10.753 -2.391 -1.250 1.00 0.29 H new ATOM 0 HA ILE A 49 -10.187 -0.224 0.371 1.00 0.24 H new ATOM 0 HB ILE A 49 -8.551 -1.496 -1.873 1.00 0.24 H new ATOM 0 HG12 ILE A 49 -8.543 -1.890 1.142 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -9.228 -3.001 -0.027 1.00 0.30 H new ATOM 0 HG21 ILE A 49 -6.574 -0.507 -0.788 1.00 0.35 H new ATOM 0 HG22 ILE A 49 -7.691 0.743 -1.386 1.00 0.35 H new ATOM 0 HG23 ILE A 49 -7.634 0.357 0.350 1.00 0.35 H new ATOM 0 HD11 ILE A 49 -7.028 -3.762 0.721 1.00 0.36 H new ATOM 0 HD12 ILE A 49 -6.994 -3.362 -1.013 1.00 0.36 H new ATOM 0 HD13 ILE A 49 -6.299 -2.233 0.175 1.00 0.36 H new ATOM 669 N GLU A 50 -10.130 0.597 -2.846 1.00 0.31 N ATOM 670 CA GLU A 50 -10.123 1.740 -3.755 1.00 0.39 C ATOM 671 C GLU A 50 -11.359 2.613 -3.573 1.00 0.43 C ATOM 672 O GLU A 50 -11.271 3.840 -3.618 1.00 0.48 O ATOM 673 CB GLU A 50 -10.023 1.276 -5.207 1.00 0.46 C ATOM 674 CG GLU A 50 -8.743 0.520 -5.523 1.00 0.61 C ATOM 675 CD GLU A 50 -8.609 0.200 -6.996 1.00 1.15 C ATOM 676 OE1 GLU A 50 -9.543 -0.397 -7.570 1.00 1.67 O ATOM 677 OE2 GLU A 50 -7.569 0.549 -7.591 1.00 1.57 O ATOM 0 H GLU A 50 -10.122 -0.312 -3.309 1.00 0.31 H new ATOM 0 HA GLU A 50 -9.246 2.340 -3.511 1.00 0.39 H new ATOM 0 HB2 GLU A 50 -10.877 0.637 -5.434 1.00 0.46 H new ATOM 0 HB3 GLU A 50 -10.092 2.145 -5.862 1.00 0.46 H new ATOM 0 HG2 GLU A 50 -7.886 1.113 -5.204 1.00 0.61 H new ATOM 0 HG3 GLU A 50 -8.721 -0.407 -4.949 1.00 0.61 H new ATOM 680 N TYR A 51 -12.503 1.979 -3.366 1.00 0.44 N ATOM 681 CA TYR A 51 -13.759 2.697 -3.201 1.00 0.52 C ATOM 682 C TYR A 51 -13.759 3.500 -1.905 1.00 0.47 C ATOM 683 O TYR A 51 -14.042 4.699 -1.906 1.00 0.51 O ATOM 684 CB TYR A 51 -14.928 1.709 -3.213 1.00 0.61 C ATOM 685 CG TYR A 51 -16.284 2.342 -2.987 1.00 0.70 C ATOM 686 CD1 TYR A 51 -16.679 3.449 -3.725 1.00 0.78 C ATOM 687 CD2 TYR A 51 -17.166 1.836 -2.041 1.00 0.77 C ATOM 688 CE1 TYR A 51 -17.911 4.037 -3.528 1.00 0.88 C ATOM 689 CE2 TYR A 51 -18.402 2.419 -1.839 1.00 0.87 C ATOM 690 CZ TYR A 51 -18.779 3.488 -2.561 1.00 0.91 C ATOM 691 OH TYR A 51 -20.002 4.102 -2.390 1.00 1.03 O ATOM 0 H TYR A 51 -12.588 0.964 -3.308 1.00 0.44 H new ATOM 0 HA TYR A 51 -13.872 3.394 -4.031 1.00 0.52 H new ATOM 0 HB2 TYR A 51 -14.938 1.189 -4.171 1.00 0.61 H new ATOM 0 HB3 TYR A 51 -14.759 0.956 -2.443 1.00 0.61 H new ATOM 0 HD1 TYR A 51 -16.009 3.858 -4.467 1.00 0.78 H new ATOM 0 HD2 TYR A 51 -16.882 0.975 -1.455 1.00 0.77 H new ATOM 0 HE1 TYR A 51 -18.206 4.902 -4.104 1.00 0.88 H new ATOM 0 HE2 TYR A 51 -19.071 2.012 -1.095 1.00 0.87 H new ATOM 0 HH TYR A 51 -20.510 3.631 -1.697 1.00 1.03 H new ATOM 699 N TYR A 52 -13.431 2.832 -0.811 1.00 0.43 N ATOM 700 CA TYR A 52 -13.418 3.457 0.506 1.00 0.42 C ATOM 701 C TYR A 52 -12.372 4.559 0.574 1.00 0.38 C ATOM 702 O TYR A 52 -12.642 5.660 1.053 1.00 0.41 O ATOM 703 CB TYR A 52 -13.131 2.405 1.574 1.00 0.47 C ATOM 704 CG TYR A 52 -14.186 1.323 1.684 1.00 0.53 C ATOM 705 CD1 TYR A 52 -15.380 1.432 0.990 1.00 0.81 C ATOM 706 CD2 TYR A 52 -14.010 0.218 2.512 1.00 0.97 C ATOM 707 CE1 TYR A 52 -16.364 0.474 1.108 1.00 0.89 C ATOM 708 CE2 TYR A 52 -14.994 -0.739 2.641 1.00 1.09 C ATOM 709 CZ TYR A 52 -16.070 -0.713 1.835 1.00 0.84 C ATOM 710 OH TYR A 52 -17.159 -1.551 2.072 1.00 0.97 O ATOM 0 H TYR A 52 -13.167 1.847 -0.808 1.00 0.43 H new ATOM 0 HA TYR A 52 -14.397 3.901 0.686 1.00 0.42 H new ATOM 0 HB2 TYR A 52 -12.170 1.938 1.358 1.00 0.47 H new ATOM 0 HB3 TYR A 52 -13.035 2.901 2.540 1.00 0.47 H new ATOM 0 HD1 TYR A 52 -15.543 2.283 0.345 1.00 0.81 H new ATOM 0 HD2 TYR A 52 -13.087 0.109 3.063 1.00 0.97 H new ATOM 0 HE1 TYR A 52 -17.335 0.621 0.659 1.00 0.89 H new ATOM 0 HE2 TYR A 52 -14.900 -1.511 3.391 1.00 1.09 H new ATOM 0 HH TYR A 52 -16.893 -2.483 1.925 1.00 0.97 H new ATOM 718 N ALA A 53 -11.176 4.256 0.088 1.00 0.33 N ATOM 719 CA ALA A 53 -10.081 5.210 0.106 1.00 0.34 C ATOM 720 C ALA A 53 -10.401 6.434 -0.740 1.00 0.39 C ATOM 721 O ALA A 53 -10.106 7.555 -0.340 1.00 0.42 O ATOM 722 CB ALA A 53 -8.794 4.558 -0.364 1.00 0.34 C ATOM 0 H ALA A 53 -10.941 3.353 -0.324 1.00 0.33 H new ATOM 0 HA ALA A 53 -9.945 5.541 1.136 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -7.987 5.290 -0.343 1.00 0.34 H new ATOM 0 HB2 ALA A 53 -8.546 3.725 0.294 1.00 0.34 H new ATOM 0 HB3 ALA A 53 -8.923 4.190 -1.382 1.00 0.34 H new ATOM 728 N ARG A 54 -11.022 6.221 -1.897 1.00 0.42 N ATOM 729 CA ARG A 54 -11.378 7.330 -2.778 1.00 0.50 C ATOM 730 C ARG A 54 -12.325 8.290 -2.068 1.00 0.51 C ATOM 731 O ARG A 54 -12.156 9.507 -2.133 1.00 0.55 O ATOM 732 CB ARG A 54 -12.032 6.821 -4.063 1.00 0.57 C ATOM 733 CG ARG A 54 -11.955 7.808 -5.219 1.00 1.11 C ATOM 734 CD ARG A 54 -10.654 7.661 -6.001 1.00 1.37 C ATOM 735 NE ARG A 54 -9.468 7.778 -5.151 1.00 2.13 N ATOM 736 CZ ARG A 54 -8.999 8.925 -4.655 1.00 3.01 C ATOM 737 NH1 ARG A 54 -9.524 10.089 -5.027 1.00 3.33 N ATOM 738 NH2 ARG A 54 -7.981 8.904 -3.805 1.00 4.04 N ATOM 0 H ARG A 54 -11.287 5.299 -2.244 1.00 0.42 H new ATOM 0 HA ARG A 54 -10.460 7.857 -3.039 1.00 0.50 H new ATOM 0 HB2 ARG A 54 -11.552 5.888 -4.360 1.00 0.57 H new ATOM 0 HB3 ARG A 54 -13.078 6.591 -3.862 1.00 0.57 H new ATOM 0 HG2 ARG A 54 -12.801 7.652 -5.888 1.00 1.11 H new ATOM 0 HG3 ARG A 54 -12.036 8.825 -4.835 1.00 1.11 H new ATOM 0 HD2 ARG A 54 -10.643 6.693 -6.502 1.00 1.37 H new ATOM 0 HD3 ARG A 54 -10.615 8.423 -6.780 1.00 1.37 H new ATOM 0 HE ARG A 54 -8.964 6.922 -4.921 1.00 2.13 H new ATOM 0 HH11 ARG A 54 -10.292 10.111 -5.697 1.00 3.33 H new ATOM 0 HH12 ARG A 54 -9.158 10.960 -4.642 1.00 3.33 H new ATOM 0 HH21 ARG A 54 -7.561 8.015 -3.534 1.00 4.04 H new ATOM 0 HH22 ARG A 54 -7.618 9.777 -3.422 1.00 4.04 H new ATOM 746 N LEU A 55 -13.295 7.731 -1.357 1.00 0.50 N ATOM 747 CA LEU A 55 -14.253 8.529 -0.603 1.00 0.55 C ATOM 748 C LEU A 55 -13.563 9.260 0.543 1.00 0.55 C ATOM 749 O LEU A 55 -13.779 10.452 0.754 1.00 0.61 O ATOM 750 CB LEU A 55 -15.364 7.636 -0.053 1.00 0.61 C ATOM 751 CG LEU A 55 -16.107 6.803 -1.098 1.00 0.86 C ATOM 752 CD1 LEU A 55 -17.176 5.953 -0.436 1.00 1.31 C ATOM 753 CD2 LEU A 55 -16.722 7.699 -2.161 1.00 1.37 C ATOM 0 H LEU A 55 -13.440 6.724 -1.286 1.00 0.50 H new ATOM 0 HA LEU A 55 -14.687 9.268 -1.276 1.00 0.55 H new ATOM 0 HB2 LEU A 55 -14.933 6.961 0.687 1.00 0.61 H new ATOM 0 HB3 LEU A 55 -16.087 8.263 0.470 1.00 0.61 H new ATOM 0 HG LEU A 55 -15.389 6.141 -1.582 1.00 0.86 H new ATOM 0 HD11 LEU A 55 -17.695 5.366 -1.194 1.00 1.31 H new ATOM 0 HD12 LEU A 55 -16.712 5.282 0.287 1.00 1.31 H new ATOM 0 HD13 LEU A 55 -17.890 6.599 0.075 1.00 1.31 H new ATOM 0 HD21 LEU A 55 -17.246 7.086 -2.895 1.00 1.37 H new ATOM 0 HD22 LEU A 55 -17.426 8.387 -1.694 1.00 1.37 H new ATOM 0 HD23 LEU A 55 -15.935 8.267 -2.658 1.00 1.37 H new ATOM 763 N SER A 56 -12.732 8.532 1.278 1.00 0.52 N ATOM 764 CA SER A 56 -12.008 9.092 2.412 1.00 0.58 C ATOM 765 C SER A 56 -10.955 10.113 1.967 1.00 0.62 C ATOM 766 O SER A 56 -10.512 10.944 2.760 1.00 1.17 O ATOM 767 CB SER A 56 -11.355 7.964 3.211 1.00 0.56 C ATOM 768 OG SER A 56 -12.332 7.049 3.688 1.00 1.28 O ATOM 0 H SER A 56 -12.542 7.545 1.107 1.00 0.52 H new ATOM 0 HA SER A 56 -12.722 9.620 3.044 1.00 0.58 H new ATOM 0 HB2 SER A 56 -10.634 7.439 2.584 1.00 0.56 H new ATOM 0 HB3 SER A 56 -10.801 8.382 4.052 1.00 0.56 H new ATOM 0 HG SER A 56 -11.936 6.155 3.758 1.00 1.28 H new ATOM 772 N GLY A 57 -10.547 10.032 0.707 1.00 0.48 N ATOM 773 CA GLY A 57 -9.545 10.943 0.183 1.00 0.45 C ATOM 774 C GLY A 57 -8.138 10.419 0.376 1.00 0.35 C ATOM 775 O GLY A 57 -7.206 11.183 0.635 1.00 0.47 O ATOM 0 H GLY A 57 -10.894 9.348 0.034 1.00 0.48 H new ATOM 0 HA2 GLY A 57 -9.727 11.108 -0.879 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -9.642 11.910 0.677 1.00 0.45 H new ATOM 779 N ILE A 58 -7.982 9.114 0.219 1.00 0.36 N ATOM 780 CA ILE A 58 -6.685 8.473 0.338 1.00 0.31 C ATOM 781 C ILE A 58 -6.248 7.929 -1.018 1.00 0.32 C ATOM 782 O ILE A 58 -6.986 7.175 -1.655 1.00 0.33 O ATOM 783 CB ILE A 58 -6.720 7.305 1.350 1.00 0.28 C ATOM 784 CG1 ILE A 58 -7.310 7.762 2.687 1.00 0.30 C ATOM 785 CG2 ILE A 58 -5.322 6.738 1.552 1.00 0.28 C ATOM 786 CD1 ILE A 58 -7.519 6.635 3.678 1.00 0.35 C ATOM 0 H ILE A 58 -8.747 8.474 0.007 1.00 0.36 H new ATOM 0 HA ILE A 58 -5.980 9.225 0.693 1.00 0.31 H new ATOM 0 HB ILE A 58 -7.360 6.521 0.946 1.00 0.28 H new ATOM 0 HG12 ILE A 58 -6.648 8.506 3.131 1.00 0.30 H new ATOM 0 HG13 ILE A 58 -8.265 8.254 2.503 1.00 0.30 H new ATOM 0 HG21 ILE A 58 -5.362 5.916 2.267 1.00 0.28 H new ATOM 0 HG22 ILE A 58 -4.937 6.372 0.600 1.00 0.28 H new ATOM 0 HG23 ILE A 58 -4.664 7.519 1.933 1.00 0.28 H new ATOM 0 HD11 ILE A 58 -7.939 7.035 4.601 1.00 0.35 H new ATOM 0 HD12 ILE A 58 -8.205 5.901 3.255 1.00 0.35 H new ATOM 0 HD13 ILE A 58 -6.563 6.157 3.892 1.00 0.35 H new ATOM 796 N PRO A 59 -5.064 8.329 -1.497 1.00 0.35 N ATOM 797 CA PRO A 59 -4.541 7.869 -2.783 1.00 0.39 C ATOM 798 C PRO A 59 -4.110 6.404 -2.728 1.00 0.36 C ATOM 799 O PRO A 59 -3.377 5.991 -1.825 1.00 0.37 O ATOM 800 CB PRO A 59 -3.329 8.779 -3.039 1.00 0.45 C ATOM 801 CG PRO A 59 -3.397 9.850 -1.997 1.00 0.46 C ATOM 802 CD PRO A 59 -4.140 9.258 -0.839 1.00 0.41 C ATOM 0 HA PRO A 59 -5.292 7.924 -3.571 1.00 0.39 H new ATOM 0 HB2 PRO A 59 -2.397 8.219 -2.964 1.00 0.45 H new ATOM 0 HB3 PRO A 59 -3.365 9.206 -4.041 1.00 0.45 H new ATOM 0 HG2 PRO A 59 -2.398 10.166 -1.698 1.00 0.46 H new ATOM 0 HG3 PRO A 59 -3.910 10.733 -2.379 1.00 0.46 H new ATOM 0 HD2 PRO A 59 -3.472 8.744 -0.148 1.00 0.41 H new ATOM 0 HD3 PRO A 59 -4.669 10.018 -0.265 1.00 0.41 H new ATOM 804 N VAL A 60 -4.576 5.619 -3.687 1.00 0.36 N ATOM 805 CA VAL A 60 -4.227 4.209 -3.755 1.00 0.33 C ATOM 806 C VAL A 60 -3.350 3.941 -4.970 1.00 0.39 C ATOM 807 O VAL A 60 -3.705 4.298 -6.093 1.00 0.50 O ATOM 808 CB VAL A 60 -5.485 3.315 -3.825 1.00 0.36 C ATOM 809 CG1 VAL A 60 -5.106 1.845 -3.900 1.00 0.36 C ATOM 810 CG2 VAL A 60 -6.388 3.568 -2.632 1.00 0.39 C ATOM 0 H VAL A 60 -5.198 5.936 -4.431 1.00 0.36 H new ATOM 0 HA VAL A 60 -3.681 3.963 -2.844 1.00 0.33 H new ATOM 0 HB VAL A 60 -6.029 3.573 -4.734 1.00 0.36 H new ATOM 0 HG11 VAL A 60 -6.010 1.238 -3.948 1.00 0.36 H new ATOM 0 HG12 VAL A 60 -4.503 1.670 -4.791 1.00 0.36 H new ATOM 0 HG13 VAL A 60 -4.532 1.572 -3.014 1.00 0.36 H new ATOM 0 HG21 VAL A 60 -7.268 2.929 -2.700 1.00 0.39 H new ATOM 0 HG22 VAL A 60 -5.847 3.344 -1.712 1.00 0.39 H new ATOM 0 HG23 VAL A 60 -6.698 4.613 -2.625 1.00 0.39 H new ATOM 820 N TYR A 61 -2.210 3.312 -4.744 1.00 0.35 N ATOM 821 CA TYR A 61 -1.310 2.978 -5.833 1.00 0.41 C ATOM 822 C TYR A 61 -1.362 1.489 -6.137 1.00 0.39 C ATOM 823 O TYR A 61 -1.234 0.656 -5.238 1.00 0.32 O ATOM 824 CB TYR A 61 0.130 3.383 -5.512 1.00 0.46 C ATOM 825 CG TYR A 61 1.079 3.103 -6.656 1.00 0.53 C ATOM 826 CD1 TYR A 61 0.884 3.665 -7.911 1.00 0.63 C ATOM 827 CD2 TYR A 61 2.183 2.284 -6.468 1.00 0.56 C ATOM 828 CE1 TYR A 61 1.770 3.422 -8.945 1.00 0.73 C ATOM 829 CE2 TYR A 61 3.070 2.032 -7.495 1.00 0.65 C ATOM 830 CZ TYR A 61 2.785 2.572 -8.786 1.00 0.72 C ATOM 831 OH TYR A 61 3.751 2.364 -9.751 1.00 0.83 O ATOM 0 H TYR A 61 -1.887 3.023 -3.821 1.00 0.35 H new ATOM 0 HA TYR A 61 -1.641 3.536 -6.709 1.00 0.41 H new ATOM 0 HB2 TYR A 61 0.160 4.446 -5.271 1.00 0.46 H new ATOM 0 HB3 TYR A 61 0.466 2.845 -4.625 1.00 0.46 H new ATOM 0 HD1 TYR A 61 0.028 4.301 -8.082 1.00 0.63 H new ATOM 0 HD2 TYR A 61 2.351 1.835 -5.500 1.00 0.56 H new ATOM 0 HE1 TYR A 61 1.638 3.926 -9.891 1.00 0.73 H new ATOM 0 HE2 TYR A 61 3.958 1.441 -7.326 1.00 0.65 H new ATOM 0 HH TYR A 61 3.392 1.782 -10.453 1.00 0.83 H new ATOM 839 N GLU A 62 -1.514 1.169 -7.411 1.00 0.49 N ATOM 840 CA GLU A 62 -1.518 -0.211 -7.864 1.00 0.52 C ATOM 841 C GLU A 62 -0.087 -0.702 -8.042 1.00 0.50 C ATOM 842 O GLU A 62 0.727 -0.046 -8.691 1.00 0.59 O ATOM 843 CB GLU A 62 -2.294 -0.339 -9.178 1.00 0.68 C ATOM 844 CG GLU A 62 -3.660 0.329 -9.139 1.00 1.24 C ATOM 845 CD GLU A 62 -3.650 1.751 -9.669 1.00 1.83 C ATOM 846 OE1 GLU A 62 -2.688 2.500 -9.392 1.00 2.35 O ATOM 847 OE2 GLU A 62 -4.625 2.136 -10.347 1.00 2.47 O ATOM 0 H GLU A 62 -1.637 1.854 -8.156 1.00 0.49 H new ATOM 0 HA GLU A 62 -2.011 -0.828 -7.113 1.00 0.52 H new ATOM 0 HB2 GLU A 62 -1.706 0.100 -9.983 1.00 0.68 H new ATOM 0 HB3 GLU A 62 -2.421 -1.395 -9.415 1.00 0.68 H new ATOM 0 HG2 GLU A 62 -4.363 -0.264 -9.724 1.00 1.24 H new ATOM 0 HG3 GLU A 62 -4.025 0.334 -8.112 1.00 1.24 H new ATOM 850 N PHE A 63 0.234 -1.797 -7.375 1.00 0.42 N ATOM 851 CA PHE A 63 1.589 -2.330 -7.368 1.00 0.41 C ATOM 852 C PHE A 63 1.984 -2.855 -8.745 1.00 0.44 C ATOM 853 O PHE A 63 1.209 -3.563 -9.393 1.00 0.42 O ATOM 854 CB PHE A 63 1.709 -3.453 -6.339 1.00 0.41 C ATOM 855 CG PHE A 63 3.119 -3.916 -6.129 1.00 0.39 C ATOM 856 CD1 PHE A 63 4.038 -3.114 -5.475 1.00 0.60 C ATOM 857 CD2 PHE A 63 3.522 -5.157 -6.583 1.00 0.43 C ATOM 858 CE1 PHE A 63 5.332 -3.549 -5.275 1.00 0.67 C ATOM 859 CE2 PHE A 63 4.814 -5.592 -6.390 1.00 0.47 C ATOM 860 CZ PHE A 63 5.735 -4.753 -5.748 1.00 0.53 C ATOM 0 H PHE A 63 -0.432 -2.340 -6.825 1.00 0.42 H new ATOM 0 HA PHE A 63 2.265 -1.517 -7.102 1.00 0.41 H new ATOM 0 HB2 PHE A 63 1.301 -3.110 -5.388 1.00 0.41 H new ATOM 0 HB3 PHE A 63 1.100 -4.298 -6.661 1.00 0.41 H new ATOM 0 HD1 PHE A 63 3.740 -2.139 -5.118 1.00 0.60 H new ATOM 0 HD2 PHE A 63 2.815 -5.793 -7.095 1.00 0.43 H new ATOM 0 HE1 PHE A 63 6.030 -2.924 -4.737 1.00 0.67 H new ATOM 0 HE2 PHE A 63 5.115 -6.572 -6.731 1.00 0.47 H new ATOM 0 HZ PHE A 63 6.762 -5.065 -5.631 1.00 0.53 H new ATOM 868 N GLU A 64 3.218 -2.564 -9.145 1.00 0.61 N ATOM 869 CA GLU A 64 3.766 -3.024 -10.422 1.00 0.70 C ATOM 870 C GLU A 64 4.143 -4.509 -10.376 1.00 0.62 C ATOM 871 O GLU A 64 5.250 -4.889 -10.762 1.00 0.89 O ATOM 872 CB GLU A 64 5.010 -2.204 -10.781 1.00 0.97 C ATOM 873 CG GLU A 64 4.787 -0.702 -10.768 1.00 1.61 C ATOM 874 CD GLU A 64 3.834 -0.243 -11.847 1.00 1.90 C ATOM 875 OE1 GLU A 64 4.129 -0.461 -13.040 1.00 2.46 O ATOM 876 OE2 GLU A 64 2.792 0.356 -11.510 1.00 2.08 O ATOM 0 H GLU A 64 3.868 -2.003 -8.595 1.00 0.61 H new ATOM 0 HA GLU A 64 2.993 -2.889 -11.178 1.00 0.70 H new ATOM 0 HB2 GLU A 64 5.808 -2.448 -10.080 1.00 0.97 H new ATOM 0 HB3 GLU A 64 5.354 -2.501 -11.772 1.00 0.97 H new ATOM 0 HG2 GLU A 64 4.397 -0.406 -9.794 1.00 1.61 H new ATOM 0 HG3 GLU A 64 5.744 -0.196 -10.895 1.00 1.61 H new ATOM 879 N GLY A 65 3.236 -5.343 -9.888 1.00 0.62 N ATOM 880 CA GLY A 65 3.511 -6.762 -9.800 1.00 0.64 C ATOM 881 C GLY A 65 2.431 -7.525 -9.054 1.00 0.62 C ATOM 882 O GLY A 65 1.238 -7.252 -9.218 1.00 0.82 O ATOM 0 H GLY A 65 2.315 -5.062 -9.552 1.00 0.62 H new ATOM 0 HA2 GLY A 65 3.610 -7.171 -10.805 1.00 0.64 H new ATOM 0 HA3 GLY A 65 4.467 -6.912 -9.299 1.00 0.64 H new ATOM 886 N THR A 66 2.853 -8.493 -8.255 1.00 0.63 N ATOM 887 CA THR A 66 1.937 -9.344 -7.513 1.00 0.67 C ATOM 888 C THR A 66 2.068 -9.113 -6.012 1.00 0.60 C ATOM 889 O THR A 66 2.967 -8.400 -5.560 1.00 0.56 O ATOM 890 CB THR A 66 2.211 -10.830 -7.812 1.00 0.83 C ATOM 891 OG1 THR A 66 3.605 -11.113 -7.627 1.00 1.53 O ATOM 892 CG2 THR A 66 1.803 -11.188 -9.234 1.00 1.42 C ATOM 0 H THR A 66 3.838 -8.710 -8.103 1.00 0.63 H new ATOM 0 HA THR A 66 0.926 -9.086 -7.830 1.00 0.67 H new ATOM 0 HB THR A 66 1.618 -11.430 -7.122 1.00 0.83 H new ATOM 0 HG1 THR A 66 3.775 -12.059 -7.816 1.00 1.53 H new ATOM 0 HG21 THR A 66 2.008 -12.243 -9.417 1.00 1.42 H new ATOM 0 HG22 THR A 66 0.738 -10.997 -9.366 1.00 1.42 H new ATOM 0 HG23 THR A 66 2.371 -10.581 -9.939 1.00 1.42 H new ATOM 900 N SER A 67 1.208 -9.770 -5.244 1.00 0.61 N ATOM 901 CA SER A 67 1.255 -9.704 -3.790 1.00 0.58 C ATOM 902 C SER A 67 2.561 -10.299 -3.271 1.00 0.56 C ATOM 903 O SER A 67 3.181 -9.760 -2.354 1.00 0.54 O ATOM 904 CB SER A 67 0.063 -10.456 -3.196 1.00 0.67 C ATOM 905 OG SER A 67 -1.163 -9.964 -3.715 1.00 1.25 O ATOM 0 H SER A 67 0.462 -10.361 -5.610 1.00 0.61 H new ATOM 0 HA SER A 67 1.205 -8.659 -3.485 1.00 0.58 H new ATOM 0 HB2 SER A 67 0.154 -11.520 -3.416 1.00 0.67 H new ATOM 0 HB3 SER A 67 0.069 -10.354 -2.111 1.00 0.67 H new ATOM 0 HG SER A 67 -1.835 -9.943 -3.002 1.00 1.25 H new ATOM 909 N VAL A 68 2.995 -11.389 -3.898 1.00 0.64 N ATOM 910 CA VAL A 68 4.250 -12.036 -3.534 1.00 0.67 C ATOM 911 C VAL A 68 5.420 -11.082 -3.747 1.00 0.58 C ATOM 912 O VAL A 68 6.269 -10.906 -2.863 1.00 0.59 O ATOM 913 CB VAL A 68 4.492 -13.314 -4.368 1.00 0.79 C ATOM 914 CG1 VAL A 68 5.710 -14.068 -3.855 1.00 0.84 C ATOM 915 CG2 VAL A 68 3.263 -14.207 -4.360 1.00 0.97 C ATOM 0 H VAL A 68 2.494 -11.843 -4.662 1.00 0.64 H new ATOM 0 HA VAL A 68 4.178 -12.311 -2.482 1.00 0.67 H new ATOM 0 HB VAL A 68 4.685 -13.015 -5.398 1.00 0.79 H new ATOM 0 HG11 VAL A 68 5.863 -14.964 -4.456 1.00 0.84 H new ATOM 0 HG12 VAL A 68 6.590 -13.429 -3.926 1.00 0.84 H new ATOM 0 HG13 VAL A 68 5.551 -14.351 -2.815 1.00 0.84 H new ATOM 0 HG21 VAL A 68 3.458 -15.100 -4.954 1.00 0.97 H new ATOM 0 HG22 VAL A 68 3.030 -14.496 -3.335 1.00 0.97 H new ATOM 0 HG23 VAL A 68 2.418 -13.666 -4.785 1.00 0.97 H new ATOM 925 N GLU A 69 5.431 -10.446 -4.912 1.00 0.57 N ATOM 926 CA GLU A 69 6.469 -9.489 -5.257 1.00 0.55 C ATOM 927 C GLU A 69 6.450 -8.307 -4.295 1.00 0.48 C ATOM 928 O GLU A 69 7.494 -7.895 -3.798 1.00 0.52 O ATOM 929 CB GLU A 69 6.290 -9.017 -6.703 1.00 0.65 C ATOM 930 CG GLU A 69 7.302 -7.970 -7.145 1.00 1.35 C ATOM 931 CD GLU A 69 7.229 -7.678 -8.630 1.00 1.73 C ATOM 932 OE1 GLU A 69 6.501 -8.400 -9.346 1.00 1.82 O ATOM 933 OE2 GLU A 69 7.922 -6.750 -9.096 1.00 2.65 O ATOM 0 H GLU A 69 4.726 -10.579 -5.637 1.00 0.57 H new ATOM 0 HA GLU A 69 7.439 -9.978 -5.170 1.00 0.55 H new ATOM 0 HB2 GLU A 69 6.362 -9.879 -7.367 1.00 0.65 H new ATOM 0 HB3 GLU A 69 5.286 -8.608 -6.819 1.00 0.65 H new ATOM 0 HG2 GLU A 69 7.132 -7.048 -6.589 1.00 1.35 H new ATOM 0 HG3 GLU A 69 8.306 -8.313 -6.895 1.00 1.35 H new ATOM 936 N LEU A 70 5.258 -7.801 -3.998 1.00 0.44 N ATOM 937 CA LEU A 70 5.112 -6.683 -3.073 1.00 0.41 C ATOM 938 C LEU A 70 5.650 -7.040 -1.694 1.00 0.48 C ATOM 939 O LEU A 70 6.412 -6.277 -1.112 1.00 0.56 O ATOM 940 CB LEU A 70 3.646 -6.241 -2.983 1.00 0.41 C ATOM 941 CG LEU A 70 3.326 -5.209 -1.893 1.00 0.38 C ATOM 942 CD1 LEU A 70 4.234 -3.987 -2.001 1.00 0.41 C ATOM 943 CD2 LEU A 70 1.865 -4.796 -1.977 1.00 0.43 C ATOM 0 H LEU A 70 4.380 -8.147 -4.384 1.00 0.44 H new ATOM 0 HA LEU A 70 5.699 -5.850 -3.459 1.00 0.41 H new ATOM 0 HB2 LEU A 70 3.351 -5.827 -3.947 1.00 0.41 H new ATOM 0 HB3 LEU A 70 3.030 -7.124 -2.813 1.00 0.41 H new ATOM 0 HG LEU A 70 3.508 -5.673 -0.924 1.00 0.38 H new ATOM 0 HD11 LEU A 70 3.981 -3.275 -1.215 1.00 0.41 H new ATOM 0 HD12 LEU A 70 5.274 -4.295 -1.891 1.00 0.41 H new ATOM 0 HD13 LEU A 70 4.096 -3.516 -2.974 1.00 0.41 H new ATOM 0 HD21 LEU A 70 1.649 -4.064 -1.199 1.00 0.43 H new ATOM 0 HD22 LEU A 70 1.667 -4.356 -2.955 1.00 0.43 H new ATOM 0 HD23 LEU A 70 1.231 -5.671 -1.837 1.00 0.43 H new ATOM 953 N GLY A 71 5.263 -8.200 -1.184 1.00 0.54 N ATOM 954 CA GLY A 71 5.714 -8.619 0.128 1.00 0.68 C ATOM 955 C GLY A 71 7.222 -8.736 0.227 1.00 0.71 C ATOM 956 O GLY A 71 7.837 -8.138 1.112 1.00 0.84 O ATOM 0 H GLY A 71 4.644 -8.860 -1.655 1.00 0.54 H new ATOM 0 HA2 GLY A 71 5.361 -7.905 0.872 1.00 0.68 H new ATOM 0 HA3 GLY A 71 5.264 -9.582 0.371 1.00 0.68 H new ATOM 960 N THR A 72 7.824 -9.490 -0.687 1.00 0.65 N ATOM 961 CA THR A 72 9.266 -9.690 -0.663 1.00 0.75 C ATOM 962 C THR A 72 10.008 -8.374 -0.916 1.00 0.75 C ATOM 963 O THR A 72 11.077 -8.133 -0.351 1.00 0.88 O ATOM 964 CB THR A 72 9.710 -10.769 -1.681 1.00 0.80 C ATOM 965 OG1 THR A 72 11.038 -11.223 -1.377 1.00 1.46 O ATOM 966 CG2 THR A 72 9.669 -10.255 -3.114 1.00 1.12 C ATOM 0 H THR A 72 7.340 -9.968 -1.447 1.00 0.65 H new ATOM 0 HA THR A 72 9.526 -10.046 0.334 1.00 0.75 H new ATOM 0 HB THR A 72 9.006 -11.597 -1.598 1.00 0.80 H new ATOM 0 HG1 THR A 72 11.307 -11.906 -2.026 1.00 1.46 H new ATOM 0 HG21 THR A 72 9.988 -11.045 -3.793 1.00 1.12 H new ATOM 0 HG22 THR A 72 8.652 -9.952 -3.363 1.00 1.12 H new ATOM 0 HG23 THR A 72 10.337 -9.400 -3.213 1.00 1.12 H new ATOM 974 N LEU A 73 9.421 -7.517 -1.742 1.00 0.65 N ATOM 975 CA LEU A 73 10.011 -6.218 -2.044 1.00 0.73 C ATOM 976 C LEU A 73 9.927 -5.303 -0.826 1.00 0.84 C ATOM 977 O LEU A 73 10.879 -4.590 -0.505 1.00 0.97 O ATOM 978 CB LEU A 73 9.291 -5.571 -3.229 1.00 0.71 C ATOM 979 CG LEU A 73 10.134 -4.599 -4.052 1.00 0.91 C ATOM 980 CD1 LEU A 73 11.182 -5.358 -4.853 1.00 1.51 C ATOM 981 CD2 LEU A 73 9.254 -3.768 -4.973 1.00 1.47 C ATOM 0 H LEU A 73 8.536 -7.698 -2.215 1.00 0.65 H new ATOM 0 HA LEU A 73 11.059 -6.367 -2.304 1.00 0.73 H new ATOM 0 HB2 LEU A 73 8.929 -6.360 -3.888 1.00 0.71 H new ATOM 0 HB3 LEU A 73 8.415 -5.041 -2.855 1.00 0.71 H new ATOM 0 HG LEU A 73 10.644 -3.920 -3.368 1.00 0.91 H new ATOM 0 HD11 LEU A 73 11.776 -4.653 -5.435 1.00 1.51 H new ATOM 0 HD12 LEU A 73 11.833 -5.906 -4.172 1.00 1.51 H new ATOM 0 HD13 LEU A 73 10.688 -6.059 -5.526 1.00 1.51 H new ATOM 0 HD21 LEU A 73 9.876 -3.083 -5.549 1.00 1.47 H new ATOM 0 HD22 LEU A 73 8.714 -4.427 -5.653 1.00 1.47 H new ATOM 0 HD23 LEU A 73 8.541 -3.198 -4.378 1.00 1.47 H new ATOM 991 N LEU A 74 8.770 -5.323 -0.172 1.00 0.84 N ATOM 992 CA LEU A 74 8.503 -4.490 0.994 1.00 1.03 C ATOM 993 C LEU A 74 9.505 -4.776 2.108 1.00 1.24 C ATOM 994 O LEU A 74 10.126 -3.863 2.647 1.00 1.47 O ATOM 995 CB LEU A 74 7.077 -4.754 1.491 1.00 1.01 C ATOM 996 CG LEU A 74 6.585 -3.862 2.633 1.00 0.93 C ATOM 997 CD1 LEU A 74 6.232 -2.475 2.122 1.00 1.79 C ATOM 998 CD2 LEU A 74 5.390 -4.499 3.320 1.00 1.14 C ATOM 0 H LEU A 74 7.988 -5.921 -0.438 1.00 0.84 H new ATOM 0 HA LEU A 74 8.604 -3.443 0.708 1.00 1.03 H new ATOM 0 HB2 LEU A 74 6.394 -4.641 0.649 1.00 1.01 H new ATOM 0 HB3 LEU A 74 7.014 -5.793 1.816 1.00 1.01 H new ATOM 0 HG LEU A 74 7.390 -3.758 3.360 1.00 0.93 H new ATOM 0 HD11 LEU A 74 5.885 -1.859 2.952 1.00 1.79 H new ATOM 0 HD12 LEU A 74 7.114 -2.017 1.674 1.00 1.79 H new ATOM 0 HD13 LEU A 74 5.444 -2.553 1.373 1.00 1.79 H new ATOM 0 HD21 LEU A 74 5.050 -3.854 4.130 1.00 1.14 H new ATOM 0 HD22 LEU A 74 4.584 -4.631 2.599 1.00 1.14 H new ATOM 0 HD23 LEU A 74 5.678 -5.469 3.725 1.00 1.14 H new ATOM 1008 N GLY A 75 9.675 -6.052 2.429 1.00 1.24 N ATOM 1009 CA GLY A 75 10.628 -6.438 3.449 1.00 1.50 C ATOM 1010 C GLY A 75 10.188 -7.673 4.202 1.00 1.63 C ATOM 1011 O GLY A 75 10.958 -8.616 4.375 1.00 2.22 O ATOM 0 H GLY A 75 9.169 -6.827 2.000 1.00 1.24 H new ATOM 0 HA2 GLY A 75 11.598 -6.622 2.987 1.00 1.50 H new ATOM 0 HA3 GLY A 75 10.761 -5.614 4.151 1.00 1.50 H new ATOM 1015 N ARG A 76 8.930 -7.674 4.616 1.00 1.47 N ATOM 1016 CA ARG A 76 8.348 -8.809 5.320 1.00 1.63 C ATOM 1017 C ARG A 76 8.033 -9.929 4.332 1.00 1.48 C ATOM 1018 O ARG A 76 7.361 -9.696 3.332 1.00 1.41 O ATOM 1019 CB ARG A 76 7.070 -8.360 6.037 1.00 1.84 C ATOM 1020 CG ARG A 76 6.444 -9.419 6.930 1.00 1.98 C ATOM 1021 CD ARG A 76 7.311 -9.708 8.142 1.00 2.35 C ATOM 1022 NE ARG A 76 7.493 -8.531 8.988 1.00 3.01 N ATOM 1023 CZ ARG A 76 8.273 -8.506 10.068 1.00 3.50 C ATOM 1024 NH1 ARG A 76 8.920 -9.602 10.455 1.00 3.60 N ATOM 1025 NH2 ARG A 76 8.384 -7.386 10.771 1.00 4.36 N ATOM 0 H ARG A 76 8.287 -6.895 4.475 1.00 1.47 H new ATOM 0 HA ARG A 76 9.059 -9.184 6.056 1.00 1.63 H new ATOM 0 HB2 ARG A 76 7.297 -7.481 6.641 1.00 1.84 H new ATOM 0 HB3 ARG A 76 6.338 -8.053 5.290 1.00 1.84 H new ATOM 0 HG2 ARG A 76 5.459 -9.085 7.257 1.00 1.98 H new ATOM 0 HG3 ARG A 76 6.296 -10.336 6.360 1.00 1.98 H new ATOM 0 HD2 ARG A 76 6.857 -10.507 8.728 1.00 2.35 H new ATOM 0 HD3 ARG A 76 8.285 -10.069 7.811 1.00 2.35 H new ATOM 0 HE ARG A 76 6.993 -7.678 8.737 1.00 3.01 H new ATOM 0 HH11 ARG A 76 8.820 -10.467 9.924 1.00 3.60 H new ATOM 0 HH12 ARG A 76 9.516 -9.577 11.283 1.00 3.60 H new ATOM 0 HH21 ARG A 76 7.874 -6.551 10.484 1.00 4.36 H new ATOM 0 HH22 ARG A 76 8.979 -7.360 11.599 1.00 4.36 H new ATOM 1033 N PRO A 77 8.497 -11.163 4.597 1.00 1.57 N ATOM 1034 CA PRO A 77 8.272 -12.305 3.703 1.00 1.60 C ATOM 1035 C PRO A 77 6.834 -12.818 3.745 1.00 1.55 C ATOM 1036 O PRO A 77 6.585 -14.017 3.633 1.00 1.73 O ATOM 1037 CB PRO A 77 9.241 -13.365 4.223 1.00 1.89 C ATOM 1038 CG PRO A 77 9.447 -13.029 5.658 1.00 1.91 C ATOM 1039 CD PRO A 77 9.299 -11.537 5.774 1.00 1.81 C ATOM 0 HA PRO A 77 8.436 -12.036 2.660 1.00 1.60 H new ATOM 0 HB2 PRO A 77 8.828 -14.367 4.108 1.00 1.89 H new ATOM 0 HB3 PRO A 77 10.182 -13.343 3.674 1.00 1.89 H new ATOM 0 HG2 PRO A 77 8.717 -13.541 6.285 1.00 1.91 H new ATOM 0 HG3 PRO A 77 10.434 -13.348 5.993 1.00 1.91 H new ATOM 0 HD2 PRO A 77 8.800 -11.257 6.702 1.00 1.81 H new ATOM 0 HD3 PRO A 77 10.268 -11.039 5.770 1.00 1.81 H new ATOM 1041 N HIS A 78 5.892 -11.891 3.781 1.00 1.55 N ATOM 1042 CA HIS A 78 4.479 -12.219 3.666 1.00 1.56 C ATOM 1043 C HIS A 78 3.996 -11.850 2.275 1.00 1.37 C ATOM 1044 O HIS A 78 4.409 -10.830 1.729 1.00 1.90 O ATOM 1045 CB HIS A 78 3.633 -11.471 4.704 1.00 1.86 C ATOM 1046 CG HIS A 78 3.830 -11.913 6.121 1.00 1.97 C ATOM 1047 ND1 HIS A 78 2.969 -11.555 7.135 1.00 2.84 N ATOM 1048 CD2 HIS A 78 4.802 -12.654 6.703 1.00 1.78 C ATOM 1049 CE1 HIS A 78 3.401 -12.054 8.276 1.00 3.13 C ATOM 1050 NE2 HIS A 78 4.511 -12.725 8.041 1.00 2.47 N ATOM 0 H HIS A 78 6.082 -10.895 3.890 1.00 1.55 H new ATOM 0 HA HIS A 78 4.366 -13.288 3.846 1.00 1.56 H new ATOM 0 HB2 HIS A 78 3.860 -10.407 4.637 1.00 1.86 H new ATOM 0 HB3 HIS A 78 2.581 -11.589 4.446 1.00 1.86 H new ATOM 0 HD2 HIS A 78 5.648 -13.105 6.206 1.00 1.78 H new ATOM 0 HE1 HIS A 78 2.927 -11.934 9.239 1.00 3.13 H new ATOM 0 HE2 HIS A 78 5.064 -13.218 8.742 1.00 2.47 H new ATOM 1057 N THR A 79 3.078 -12.630 1.736 1.00 1.02 N ATOM 1058 CA THR A 79 2.487 -12.328 0.441 1.00 0.90 C ATOM 1059 C THR A 79 1.431 -11.229 0.573 1.00 0.80 C ATOM 1060 O THR A 79 0.228 -11.487 0.473 1.00 1.06 O ATOM 1061 CB THR A 79 1.876 -13.593 -0.184 1.00 1.08 C ATOM 1062 OG1 THR A 79 1.207 -14.363 0.826 1.00 1.25 O ATOM 1063 CG2 THR A 79 2.954 -14.440 -0.842 1.00 1.21 C ATOM 0 H THR A 79 2.723 -13.480 2.174 1.00 1.02 H new ATOM 0 HA THR A 79 3.276 -11.967 -0.219 1.00 0.90 H new ATOM 0 HB THR A 79 1.157 -13.289 -0.945 1.00 1.08 H new ATOM 0 HG1 THR A 79 0.819 -15.166 0.421 1.00 1.25 H new ATOM 0 HG21 THR A 79 2.501 -15.330 -1.278 1.00 1.21 H new ATOM 0 HG22 THR A 79 3.444 -13.861 -1.625 1.00 1.21 H new ATOM 0 HG23 THR A 79 3.690 -14.736 -0.095 1.00 1.21 H new ATOM 1071 N VAL A 80 1.883 -10.042 0.955 1.00 0.65 N ATOM 1072 CA VAL A 80 0.983 -8.943 1.266 1.00 0.55 C ATOM 1073 C VAL A 80 0.298 -8.396 0.010 1.00 0.48 C ATOM 1074 O VAL A 80 0.940 -8.104 -0.997 1.00 0.56 O ATOM 1075 CB VAL A 80 1.725 -7.806 2.016 1.00 0.62 C ATOM 1076 CG1 VAL A 80 2.752 -7.120 1.128 1.00 1.16 C ATOM 1077 CG2 VAL A 80 0.737 -6.798 2.577 1.00 1.24 C ATOM 0 H VAL A 80 2.873 -9.817 1.057 1.00 0.65 H new ATOM 0 HA VAL A 80 0.209 -9.341 1.922 1.00 0.55 H new ATOM 0 HB VAL A 80 2.265 -8.260 2.847 1.00 0.62 H new ATOM 0 HG11 VAL A 80 3.250 -6.330 1.691 1.00 1.16 H new ATOM 0 HG12 VAL A 80 3.491 -7.849 0.796 1.00 1.16 H new ATOM 0 HG13 VAL A 80 2.253 -6.688 0.261 1.00 1.16 H new ATOM 0 HG21 VAL A 80 1.279 -6.009 3.099 1.00 1.24 H new ATOM 0 HG22 VAL A 80 0.159 -6.363 1.762 1.00 1.24 H new ATOM 0 HG23 VAL A 80 0.063 -7.298 3.273 1.00 1.24 H new ATOM 1087 N SER A 81 -1.023 -8.337 0.057 1.00 0.42 N ATOM 1088 CA SER A 81 -1.809 -7.860 -1.072 1.00 0.47 C ATOM 1089 C SER A 81 -1.968 -6.344 -1.020 1.00 0.38 C ATOM 1090 O SER A 81 -2.174 -5.699 -2.045 1.00 0.39 O ATOM 1091 CB SER A 81 -3.183 -8.529 -1.074 1.00 0.55 C ATOM 1092 OG SER A 81 -3.057 -9.940 -1.057 1.00 1.18 O ATOM 0 H SER A 81 -1.576 -8.614 0.868 1.00 0.42 H new ATOM 0 HA SER A 81 -1.282 -8.120 -1.990 1.00 0.47 H new ATOM 0 HB2 SER A 81 -3.754 -8.200 -0.205 1.00 0.55 H new ATOM 0 HB3 SER A 81 -3.741 -8.220 -1.958 1.00 0.55 H new ATOM 0 HG SER A 81 -3.948 -10.348 -1.057 1.00 1.18 H new ATOM 1096 N ALA A 82 -1.944 -5.795 0.187 1.00 0.32 N ATOM 1097 CA ALA A 82 -2.171 -4.373 0.386 1.00 0.30 C ATOM 1098 C ALA A 82 -1.542 -3.905 1.687 1.00 0.30 C ATOM 1099 O ALA A 82 -1.537 -4.637 2.679 1.00 0.34 O ATOM 1100 CB ALA A 82 -3.660 -4.080 0.397 1.00 0.33 C ATOM 0 H ALA A 82 -1.769 -6.317 1.046 1.00 0.32 H new ATOM 0 HA ALA A 82 -1.705 -3.832 -0.438 1.00 0.30 H new ATOM 0 HB1 ALA A 82 -3.820 -3.012 0.547 1.00 0.33 H new ATOM 0 HB2 ALA A 82 -4.097 -4.382 -0.555 1.00 0.33 H new ATOM 0 HB3 ALA A 82 -4.134 -4.635 1.207 1.00 0.33 H new ATOM 1106 N LEU A 83 -1.013 -2.693 1.680 1.00 0.29 N ATOM 1107 CA LEU A 83 -0.394 -2.127 2.865 1.00 0.31 C ATOM 1108 C LEU A 83 -0.712 -0.640 2.977 1.00 0.28 C ATOM 1109 O LEU A 83 -0.670 0.099 1.988 1.00 0.30 O ATOM 1110 CB LEU A 83 1.122 -2.370 2.850 1.00 0.37 C ATOM 1111 CG LEU A 83 1.865 -1.897 1.595 1.00 0.44 C ATOM 1112 CD1 LEU A 83 2.472 -0.518 1.801 1.00 0.88 C ATOM 1113 CD2 LEU A 83 2.935 -2.899 1.209 1.00 0.83 C ATOM 0 H LEU A 83 -1.000 -2.081 0.864 1.00 0.29 H new ATOM 0 HA LEU A 83 -0.805 -2.625 3.743 1.00 0.31 H new ATOM 0 HB2 LEU A 83 1.559 -1.872 3.716 1.00 0.37 H new ATOM 0 HB3 LEU A 83 1.300 -3.438 2.973 1.00 0.37 H new ATOM 0 HG LEU A 83 1.143 -1.824 0.781 1.00 0.44 H new ATOM 0 HD11 LEU A 83 2.992 -0.210 0.894 1.00 0.88 H new ATOM 0 HD12 LEU A 83 1.681 0.198 2.027 1.00 0.88 H new ATOM 0 HD13 LEU A 83 3.178 -0.552 2.630 1.00 0.88 H new ATOM 0 HD21 LEU A 83 3.455 -2.551 0.316 1.00 0.83 H new ATOM 0 HD22 LEU A 83 3.648 -3.003 2.027 1.00 0.83 H new ATOM 0 HD23 LEU A 83 2.473 -3.865 1.006 1.00 0.83 H new ATOM 1123 N ALA A 84 -1.095 -0.228 4.174 1.00 0.28 N ATOM 1124 CA ALA A 84 -1.454 1.152 4.431 1.00 0.29 C ATOM 1125 C ALA A 84 -0.259 1.925 4.973 1.00 0.30 C ATOM 1126 O ALA A 84 0.255 1.627 6.055 1.00 0.34 O ATOM 1127 CB ALA A 84 -2.622 1.220 5.405 1.00 0.35 C ATOM 0 H ALA A 84 -1.165 -0.838 4.988 1.00 0.28 H new ATOM 0 HA ALA A 84 -1.759 1.612 3.491 1.00 0.29 H new ATOM 0 HB1 ALA A 84 -2.882 2.262 5.590 1.00 0.35 H new ATOM 0 HB2 ALA A 84 -3.481 0.702 4.979 1.00 0.35 H new ATOM 0 HB3 ALA A 84 -2.340 0.744 6.345 1.00 0.35 H new ATOM 1133 N VAL A 85 0.147 2.940 4.234 1.00 0.35 N ATOM 1134 CA VAL A 85 1.229 3.815 4.647 1.00 0.42 C ATOM 1135 C VAL A 85 0.688 4.927 5.538 1.00 0.41 C ATOM 1136 O VAL A 85 0.155 5.929 5.048 1.00 0.46 O ATOM 1137 CB VAL A 85 1.948 4.441 3.428 1.00 0.53 C ATOM 1138 CG1 VAL A 85 3.114 5.317 3.869 1.00 0.69 C ATOM 1139 CG2 VAL A 85 2.417 3.358 2.465 1.00 1.05 C ATOM 0 H VAL A 85 -0.263 3.181 3.332 1.00 0.35 H new ATOM 0 HA VAL A 85 1.950 3.213 5.200 1.00 0.42 H new ATOM 0 HB VAL A 85 1.233 5.076 2.905 1.00 0.53 H new ATOM 0 HG11 VAL A 85 3.601 5.744 2.992 1.00 0.69 H new ATOM 0 HG12 VAL A 85 2.745 6.121 4.506 1.00 0.69 H new ATOM 0 HG13 VAL A 85 3.832 4.714 4.425 1.00 0.69 H new ATOM 0 HG21 VAL A 85 2.920 3.820 1.615 1.00 1.05 H new ATOM 0 HG22 VAL A 85 3.110 2.690 2.978 1.00 1.05 H new ATOM 0 HG23 VAL A 85 1.558 2.788 2.112 1.00 1.05 H new ATOM 1149 N VAL A 86 0.812 4.736 6.842 1.00 0.44 N ATOM 1150 CA VAL A 86 0.371 5.731 7.808 1.00 0.46 C ATOM 1151 C VAL A 86 1.413 6.835 7.917 1.00 0.47 C ATOM 1152 O VAL A 86 1.093 8.026 7.890 1.00 0.54 O ATOM 1153 CB VAL A 86 0.144 5.103 9.199 1.00 0.48 C ATOM 1154 CG1 VAL A 86 -0.379 6.140 10.182 1.00 0.53 C ATOM 1155 CG2 VAL A 86 -0.811 3.923 9.106 1.00 0.53 C ATOM 0 H VAL A 86 1.216 3.897 7.258 1.00 0.44 H new ATOM 0 HA VAL A 86 -0.576 6.143 7.459 1.00 0.46 H new ATOM 0 HB VAL A 86 1.103 4.739 9.567 1.00 0.48 H new ATOM 0 HG11 VAL A 86 -0.531 5.674 11.156 1.00 0.53 H new ATOM 0 HG12 VAL A 86 0.345 6.949 10.276 1.00 0.53 H new ATOM 0 HG13 VAL A 86 -1.326 6.540 9.819 1.00 0.53 H new ATOM 0 HG21 VAL A 86 -0.958 3.495 10.097 1.00 0.53 H new ATOM 0 HG22 VAL A 86 -1.769 4.261 8.711 1.00 0.53 H new ATOM 0 HG23 VAL A 86 -0.392 3.167 8.442 1.00 0.53 H new ATOM 1165 N ASP A 87 2.669 6.423 7.952 1.00 0.49 N ATOM 1166 CA ASP A 87 3.781 7.355 8.011 1.00 0.60 C ATOM 1167 C ASP A 87 4.873 6.906 7.051 1.00 0.47 C ATOM 1168 O ASP A 87 5.443 5.827 7.212 1.00 0.62 O ATOM 1169 CB ASP A 87 4.327 7.418 9.439 1.00 0.83 C ATOM 1170 CG ASP A 87 5.418 8.457 9.634 1.00 1.50 C ATOM 1171 OD1 ASP A 87 5.707 9.189 8.664 1.00 1.94 O ATOM 1172 OD2 ASP A 87 6.002 8.540 10.735 1.00 2.15 O ATOM 0 H ASP A 87 2.945 5.441 7.940 1.00 0.49 H new ATOM 0 HA ASP A 87 3.439 8.348 7.721 1.00 0.60 H new ATOM 0 HB2 ASP A 87 3.506 7.634 10.123 1.00 0.83 H new ATOM 0 HB3 ASP A 87 4.719 6.438 9.712 1.00 0.83 H new ATOM 1175 N PRO A 88 5.129 7.701 6.004 1.00 0.45 N ATOM 1176 CA PRO A 88 6.125 7.376 4.983 1.00 0.54 C ATOM 1177 C PRO A 88 7.550 7.509 5.502 1.00 0.93 C ATOM 1178 O PRO A 88 8.480 6.908 4.960 1.00 1.68 O ATOM 1179 CB PRO A 88 5.860 8.405 3.883 1.00 0.69 C ATOM 1180 CG PRO A 88 5.218 9.555 4.578 1.00 0.99 C ATOM 1181 CD PRO A 88 4.431 8.968 5.714 1.00 0.66 C ATOM 0 HA PRO A 88 6.039 6.343 4.647 1.00 0.54 H new ATOM 0 HB2 PRO A 88 6.786 8.707 3.393 1.00 0.69 H new ATOM 0 HB3 PRO A 88 5.209 7.997 3.110 1.00 0.69 H new ATOM 0 HG2 PRO A 88 5.967 10.257 4.945 1.00 0.99 H new ATOM 0 HG3 PRO A 88 4.569 10.108 3.899 1.00 0.99 H new ATOM 0 HD2 PRO A 88 4.424 9.629 6.581 1.00 0.66 H new ATOM 0 HD3 PRO A 88 3.391 8.798 5.435 1.00 0.66 H new ATOM 1183 N GLY A 89 7.726 8.361 6.500 1.00 0.73 N ATOM 1184 CA GLY A 89 9.045 8.634 7.015 1.00 1.09 C ATOM 1185 C GLY A 89 9.853 9.489 6.062 1.00 0.99 C ATOM 1186 O GLY A 89 9.335 10.450 5.493 1.00 1.49 O ATOM 0 H GLY A 89 6.972 8.869 6.963 1.00 0.73 H new ATOM 0 HA2 GLY A 89 8.962 9.140 7.977 1.00 1.09 H new ATOM 0 HA3 GLY A 89 9.568 7.694 7.193 1.00 1.09 H new ATOM 1190 N GLU A 90 11.111 9.130 5.877 1.00 0.73 N ATOM 1191 CA GLU A 90 12.002 9.861 4.983 1.00 0.70 C ATOM 1192 C GLU A 90 11.817 9.401 3.532 1.00 0.68 C ATOM 1193 O GLU A 90 12.337 10.014 2.601 1.00 1.07 O ATOM 1194 CB GLU A 90 13.457 9.662 5.423 1.00 0.95 C ATOM 1195 CG GLU A 90 13.937 8.225 5.323 1.00 1.45 C ATOM 1196 CD GLU A 90 15.418 8.081 5.597 1.00 2.32 C ATOM 1197 OE1 GLU A 90 15.842 8.344 6.740 1.00 2.82 O ATOM 1198 OE2 GLU A 90 16.165 7.691 4.677 1.00 3.03 O ATOM 0 H GLU A 90 11.545 8.330 6.337 1.00 0.73 H new ATOM 0 HA GLU A 90 11.754 10.921 5.036 1.00 0.70 H new ATOM 0 HB2 GLU A 90 14.101 10.294 4.811 1.00 0.95 H new ATOM 0 HB3 GLU A 90 13.564 10.000 6.454 1.00 0.95 H new ATOM 0 HG2 GLU A 90 13.380 7.611 6.030 1.00 1.45 H new ATOM 0 HG3 GLU A 90 13.718 7.842 4.326 1.00 1.45 H new ATOM 1201 N SER A 91 11.173 8.251 3.379 1.00 0.54 N ATOM 1202 CA SER A 91 11.022 7.591 2.087 1.00 0.53 C ATOM 1203 C SER A 91 10.245 8.436 1.076 1.00 0.49 C ATOM 1204 O SER A 91 9.230 9.053 1.413 1.00 0.57 O ATOM 1205 CB SER A 91 10.305 6.264 2.302 1.00 0.65 C ATOM 1206 OG SER A 91 10.529 5.790 3.621 1.00 1.65 O ATOM 0 H SER A 91 10.738 7.747 4.152 1.00 0.54 H new ATOM 0 HA SER A 91 12.018 7.439 1.671 1.00 0.53 H new ATOM 0 HB2 SER A 91 9.236 6.389 2.130 1.00 0.65 H new ATOM 0 HB3 SER A 91 10.661 5.530 1.579 1.00 0.65 H new ATOM 0 HG SER A 91 9.741 5.974 4.173 1.00 1.65 H new ATOM 1210 N ARG A 92 10.642 8.326 -0.189 1.00 0.50 N ATOM 1211 CA ARG A 92 9.924 8.952 -1.297 1.00 0.55 C ATOM 1212 C ARG A 92 8.826 8.026 -1.814 1.00 0.53 C ATOM 1213 O ARG A 92 8.586 7.937 -3.019 1.00 0.68 O ATOM 1214 CB ARG A 92 10.890 9.280 -2.441 1.00 0.72 C ATOM 1215 CG ARG A 92 11.861 10.414 -2.148 1.00 1.39 C ATOM 1216 CD ARG A 92 11.162 11.767 -2.145 1.00 2.08 C ATOM 1217 NE ARG A 92 10.298 11.941 -0.979 1.00 2.69 N ATOM 1218 CZ ARG A 92 10.744 12.190 0.251 1.00 3.57 C ATOM 1219 NH1 ARG A 92 12.037 12.410 0.464 1.00 4.00 N ATOM 1220 NH2 ARG A 92 9.888 12.240 1.263 1.00 4.45 N ATOM 0 H ARG A 92 11.469 7.802 -0.475 1.00 0.50 H new ATOM 0 HA ARG A 92 9.472 9.874 -0.930 1.00 0.55 H new ATOM 0 HB2 ARG A 92 11.462 8.384 -2.684 1.00 0.72 H new ATOM 0 HB3 ARG A 92 10.309 9.537 -3.327 1.00 0.72 H new ATOM 0 HG2 ARG A 92 12.335 10.247 -1.181 1.00 1.39 H new ATOM 0 HG3 ARG A 92 12.655 10.416 -2.895 1.00 1.39 H new ATOM 0 HD2 ARG A 92 11.910 12.560 -2.162 1.00 2.08 H new ATOM 0 HD3 ARG A 92 10.568 11.869 -3.053 1.00 2.08 H new ATOM 0 HE ARG A 92 9.290 11.867 -1.116 1.00 2.69 H new ATOM 0 HH11 ARG A 92 12.693 12.389 -0.317 1.00 4.00 H new ATOM 0 HH12 ARG A 92 12.373 12.600 1.408 1.00 4.00 H new ATOM 0 HH21 ARG A 92 8.893 12.088 1.097 1.00 4.45 H new ATOM 0 HH22 ARG A 92 10.225 12.430 2.207 1.00 4.45 H new ATOM 1228 N ILE A 93 8.199 7.298 -0.904 1.00 0.46 N ATOM 1229 CA ILE A 93 7.186 6.320 -1.271 1.00 0.57 C ATOM 1230 C ILE A 93 5.908 7.005 -1.765 1.00 0.61 C ATOM 1231 O ILE A 93 5.184 6.469 -2.603 1.00 0.70 O ATOM 1232 CB ILE A 93 6.863 5.367 -0.091 1.00 0.65 C ATOM 1233 CG1 ILE A 93 6.072 4.155 -0.583 1.00 0.89 C ATOM 1234 CG2 ILE A 93 6.100 6.091 1.013 1.00 0.61 C ATOM 1235 CD1 ILE A 93 6.833 3.309 -1.580 1.00 0.97 C ATOM 0 H ILE A 93 8.374 7.366 0.098 1.00 0.46 H new ATOM 0 HA ILE A 93 7.595 5.724 -2.087 1.00 0.57 H new ATOM 0 HB ILE A 93 7.808 5.021 0.328 1.00 0.65 H new ATOM 0 HG12 ILE A 93 5.797 3.538 0.272 1.00 0.89 H new ATOM 0 HG13 ILE A 93 5.144 4.497 -1.041 1.00 0.89 H new ATOM 0 HG21 ILE A 93 5.889 5.396 1.825 1.00 0.61 H new ATOM 0 HG22 ILE A 93 6.703 6.917 1.390 1.00 0.61 H new ATOM 0 HG23 ILE A 93 5.163 6.478 0.614 1.00 0.61 H new ATOM 0 HD11 ILE A 93 6.215 2.466 -1.888 1.00 0.97 H new ATOM 0 HD12 ILE A 93 7.085 3.913 -2.452 1.00 0.97 H new ATOM 0 HD13 ILE A 93 7.748 2.938 -1.119 1.00 0.97 H new ATOM 1245 N LEU A 94 5.646 8.200 -1.247 1.00 0.60 N ATOM 1246 CA LEU A 94 4.443 8.950 -1.602 1.00 0.70 C ATOM 1247 C LEU A 94 4.476 9.445 -3.045 1.00 0.70 C ATOM 1248 O LEU A 94 3.456 9.866 -3.578 1.00 0.78 O ATOM 1249 CB LEU A 94 4.245 10.126 -0.649 1.00 0.85 C ATOM 1250 CG LEU A 94 3.154 9.924 0.406 1.00 0.81 C ATOM 1251 CD1 LEU A 94 3.486 8.751 1.312 1.00 1.63 C ATOM 1252 CD2 LEU A 94 2.964 11.193 1.219 1.00 1.15 C ATOM 0 H LEU A 94 6.252 8.673 -0.577 1.00 0.60 H new ATOM 0 HA LEU A 94 3.600 8.265 -1.510 1.00 0.70 H new ATOM 0 HB2 LEU A 94 5.188 10.326 -0.141 1.00 0.85 H new ATOM 0 HB3 LEU A 94 4.004 11.013 -1.235 1.00 0.85 H new ATOM 0 HG LEU A 94 2.219 9.698 -0.107 1.00 0.81 H new ATOM 0 HD11 LEU A 94 2.696 8.628 2.053 1.00 1.63 H new ATOM 0 HD12 LEU A 94 3.568 7.842 0.715 1.00 1.63 H new ATOM 0 HD13 LEU A 94 4.432 8.939 1.819 1.00 1.63 H new ATOM 0 HD21 LEU A 94 2.185 11.034 1.965 1.00 1.15 H new ATOM 0 HD22 LEU A 94 3.898 11.448 1.719 1.00 1.15 H new ATOM 0 HD23 LEU A 94 2.672 12.009 0.558 1.00 1.15 H new ATOM 1262 N ALA A 95 5.635 9.351 -3.685 1.00 0.66 N ATOM 1263 CA ALA A 95 5.773 9.746 -5.084 1.00 0.75 C ATOM 1264 C ALA A 95 4.863 8.907 -5.980 1.00 0.69 C ATOM 1265 O ALA A 95 4.437 9.352 -7.048 1.00 0.78 O ATOM 1266 CB ALA A 95 7.220 9.613 -5.529 1.00 0.86 C ATOM 0 H ALA A 95 6.494 9.005 -3.258 1.00 0.66 H new ATOM 0 HA ALA A 95 5.471 10.790 -5.175 1.00 0.75 H new ATOM 0 HB1 ALA A 95 7.308 9.911 -6.574 1.00 0.86 H new ATOM 0 HB2 ALA A 95 7.850 10.256 -4.914 1.00 0.86 H new ATOM 0 HB3 ALA A 95 7.541 8.577 -5.419 1.00 0.86 H new ATOM 1272 N LEU A 96 4.585 7.688 -5.538 1.00 0.65 N ATOM 1273 CA LEU A 96 3.745 6.755 -6.283 1.00 0.75 C ATOM 1274 C LEU A 96 2.297 7.236 -6.367 1.00 0.80 C ATOM 1275 O LEU A 96 1.576 6.904 -7.310 1.00 0.98 O ATOM 1276 CB LEU A 96 3.786 5.378 -5.621 1.00 1.12 C ATOM 1277 CG LEU A 96 5.178 4.760 -5.490 1.00 0.80 C ATOM 1278 CD1 LEU A 96 5.101 3.442 -4.739 1.00 1.50 C ATOM 1279 CD2 LEU A 96 5.801 4.557 -6.862 1.00 1.57 C ATOM 0 H LEU A 96 4.934 7.317 -4.654 1.00 0.65 H new ATOM 0 HA LEU A 96 4.139 6.695 -7.297 1.00 0.75 H new ATOM 0 HB2 LEU A 96 3.346 5.457 -4.627 1.00 1.12 H new ATOM 0 HB3 LEU A 96 3.157 4.698 -6.195 1.00 1.12 H new ATOM 0 HG LEU A 96 5.810 5.444 -4.924 1.00 0.80 H new ATOM 0 HD11 LEU A 96 6.099 3.013 -4.653 1.00 1.50 H new ATOM 0 HD12 LEU A 96 4.693 3.614 -3.743 1.00 1.50 H new ATOM 0 HD13 LEU A 96 4.455 2.751 -5.281 1.00 1.50 H new ATOM 0 HD21 LEU A 96 6.792 4.116 -6.750 1.00 1.57 H new ATOM 0 HD22 LEU A 96 5.172 3.891 -7.452 1.00 1.57 H new ATOM 0 HD23 LEU A 96 5.887 5.518 -7.369 1.00 1.57 H new ATOM 1289 N GLY A 97 1.869 7.986 -5.362 1.00 0.85 N ATOM 1290 CA GLY A 97 0.500 8.457 -5.315 1.00 1.14 C ATOM 1291 C GLY A 97 0.397 9.815 -4.658 1.00 1.15 C ATOM 1292 O GLY A 97 -0.255 9.967 -3.625 1.00 1.79 O ATOM 0 H GLY A 97 2.448 8.278 -4.575 1.00 0.85 H new ATOM 0 HA2 GLY A 97 0.099 8.511 -6.327 1.00 1.14 H new ATOM 0 HA3 GLY A 97 -0.113 7.741 -4.768 1.00 1.14 H new ATOM 1296 N GLY A 98 1.121 10.776 -5.205 1.00 1.39 N ATOM 1297 CA GLY A 98 1.163 12.100 -4.629 1.00 2.09 C ATOM 1298 C GLY A 98 2.196 12.972 -5.305 1.00 2.41 C ATOM 1299 O GLY A 98 3.280 12.500 -5.655 1.00 2.85 O ATOM 0 H GLY A 98 1.686 10.660 -6.046 1.00 1.39 H new ATOM 0 HA2 GLY A 98 0.181 12.566 -4.715 1.00 2.09 H new ATOM 0 HA3 GLY A 98 1.389 12.027 -3.565 1.00 2.09 H new ATOM 1303 N LYS A 99 1.865 14.238 -5.489 1.00 2.77 N ATOM 1304 CA LYS A 99 2.770 15.179 -6.128 1.00 3.51 C ATOM 1305 C LYS A 99 2.423 16.603 -5.715 1.00 3.72 C ATOM 1306 O LYS A 99 1.250 16.947 -5.569 1.00 4.18 O ATOM 1307 CB LYS A 99 2.732 15.037 -7.663 1.00 4.19 C ATOM 1308 CG LYS A 99 1.446 15.513 -8.337 1.00 4.80 C ATOM 1309 CD LYS A 99 0.257 14.616 -8.026 1.00 5.32 C ATOM 1310 CE LYS A 99 -0.947 14.963 -8.891 1.00 6.06 C ATOM 1311 NZ LYS A 99 -1.339 16.393 -8.770 1.00 6.70 N ATOM 0 H LYS A 99 0.972 14.640 -5.204 1.00 2.77 H new ATOM 0 HA LYS A 99 3.784 14.952 -5.798 1.00 3.51 H new ATOM 0 HB2 LYS A 99 3.569 15.595 -8.083 1.00 4.19 H new ATOM 0 HB3 LYS A 99 2.888 13.989 -7.917 1.00 4.19 H new ATOM 0 HG2 LYS A 99 1.224 16.530 -8.012 1.00 4.80 H new ATOM 0 HG3 LYS A 99 1.597 15.549 -9.416 1.00 4.80 H new ATOM 0 HD2 LYS A 99 0.534 13.574 -8.188 1.00 5.32 H new ATOM 0 HD3 LYS A 99 -0.009 14.715 -6.974 1.00 5.32 H new ATOM 0 HE2 LYS A 99 -0.719 14.738 -9.933 1.00 6.06 H new ATOM 0 HE3 LYS A 99 -1.789 14.333 -8.606 1.00 6.06 H new ATOM 0 HZ1 LYS A 99 -2.255 16.543 -9.238 1.00 6.70 H new ATOM 0 HZ2 LYS A 99 -1.418 16.647 -7.765 1.00 6.70 H new ATOM 0 HZ3 LYS A 99 -0.618 16.990 -9.222 1.00 6.70 H new ATOM 1317 N GLU A 100 3.450 17.405 -5.478 1.00 3.94 N ATOM 1318 CA GLU A 100 3.265 18.787 -5.058 1.00 4.63 C ATOM 1319 C GLU A 100 2.632 19.592 -6.184 1.00 5.04 C ATOM 1320 O GLU A 100 1.671 20.345 -5.918 1.00 5.51 O ATOM 1321 CB GLU A 100 4.610 19.401 -4.671 1.00 5.26 C ATOM 1322 CG GLU A 100 5.378 18.581 -3.651 1.00 5.92 C ATOM 1323 CD GLU A 100 6.806 19.055 -3.473 1.00 6.62 C ATOM 1324 OE1 GLU A 100 7.160 20.108 -4.044 1.00 6.97 O ATOM 1325 OE2 GLU A 100 7.574 18.399 -2.743 1.00 7.01 O ATOM 1326 OXT GLU A 100 3.087 19.454 -7.336 1.00 5.28 O ATOM 0 H GLU A 100 4.425 17.121 -5.570 1.00 3.94 H new ATOM 0 HA GLU A 100 2.604 18.808 -4.192 1.00 4.63 H new ATOM 0 HB2 GLU A 100 5.220 19.515 -5.567 1.00 5.26 H new ATOM 0 HB3 GLU A 100 4.442 20.401 -4.270 1.00 5.26 H new ATOM 0 HG2 GLU A 100 4.862 18.627 -2.692 1.00 5.92 H new ATOM 0 HG3 GLU A 100 5.383 17.536 -3.961 1.00 5.92 H new TER 1329 GLU A 100