USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 526 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 40 ASN : amide:sc= 1 K(o=2,f=0.084) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= -0.0279 USER MOD Set 1.3: A 67 SER OG : rot -109:sc= 1.01 USER MOD Set 2.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 25 GLN : amide:sc= -0.933! K(o=-0.93!,f=0) USER MOD Set 3.1: A 9 LYS NZ :NH3+ 174:sc= 1.85 (180deg=1.03) USER MOD Set 3.2: A 13 THR OG1 : rot -177:sc= 0.547 USER MOD Single : A 11 GLN : amide:sc= -1.16 K(o=-1.2,f=-9.2!) USER MOD Single : A 15 LYS NZ :NH3+ -153:sc= 1.31 (180deg=1.16) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 160:sc= -0.0209 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 -119:sc= -0.179 (180deg=-3.43!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 1.08 (180deg=-0.112) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -153:sc= 0.578 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.0468 X(o=-0.047,f=-0.13) USER MOD Single : A 79 THR OG1 : rot 44:sc= 0.453 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -147:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 45 N PHE A 3 10.139 0.858 -5.924 1.00 0.94 N ATOM 46 CA PHE A 3 10.188 1.500 -4.620 1.00 0.64 C ATOM 47 C PHE A 3 10.571 0.486 -3.552 1.00 0.52 C ATOM 48 O PHE A 3 10.074 0.525 -2.429 1.00 0.46 O ATOM 49 CB PHE A 3 8.844 2.167 -4.283 1.00 1.16 C ATOM 50 CG PHE A 3 7.616 1.300 -4.469 1.00 0.79 C ATOM 51 CD1 PHE A 3 7.643 -0.068 -4.228 1.00 0.86 C ATOM 52 CD2 PHE A 3 6.419 1.876 -4.862 1.00 0.87 C ATOM 53 CE1 PHE A 3 6.508 -0.835 -4.376 1.00 0.71 C ATOM 54 CE2 PHE A 3 5.279 1.110 -5.015 1.00 1.16 C ATOM 55 CZ PHE A 3 5.325 -0.247 -4.770 1.00 0.99 C ATOM 0 HA PHE A 3 10.948 2.281 -4.648 1.00 0.64 H new ATOM 0 HB2 PHE A 3 8.876 2.503 -3.246 1.00 1.16 H new ATOM 0 HB3 PHE A 3 8.735 3.057 -4.903 1.00 1.16 H new ATOM 0 HD1 PHE A 3 8.566 -0.537 -3.920 1.00 0.86 H new ATOM 0 HD2 PHE A 3 6.376 2.938 -5.051 1.00 0.87 H new ATOM 0 HE1 PHE A 3 6.545 -1.897 -4.183 1.00 0.71 H new ATOM 0 HE2 PHE A 3 4.354 1.573 -5.326 1.00 1.16 H new ATOM 0 HZ PHE A 3 4.435 -0.848 -4.887 1.00 0.99 H new ATOM 63 N ALA A 4 11.439 -0.441 -3.929 1.00 0.56 N ATOM 64 CA ALA A 4 11.857 -1.513 -3.038 1.00 0.55 C ATOM 65 C ALA A 4 12.550 -0.964 -1.793 1.00 0.57 C ATOM 66 O ALA A 4 12.135 -1.239 -0.657 1.00 0.54 O ATOM 67 CB ALA A 4 12.781 -2.464 -3.783 1.00 0.64 C ATOM 0 H ALA A 4 11.870 -0.472 -4.853 1.00 0.56 H new ATOM 0 HA ALA A 4 10.969 -2.053 -2.709 1.00 0.55 H new ATOM 0 HB1 ALA A 4 13.093 -3.266 -3.114 1.00 0.64 H new ATOM 0 HB2 ALA A 4 12.254 -2.888 -4.638 1.00 0.64 H new ATOM 0 HB3 ALA A 4 13.659 -1.920 -4.132 1.00 0.64 H new ATOM 73 N PHE A 5 13.526 -0.093 -2.014 1.00 0.62 N ATOM 74 CA PHE A 5 14.226 0.558 -0.920 1.00 0.66 C ATOM 75 C PHE A 5 13.285 1.492 -0.180 1.00 0.59 C ATOM 76 O PHE A 5 13.336 1.610 1.046 1.00 0.57 O ATOM 77 CB PHE A 5 15.434 1.340 -1.440 1.00 0.79 C ATOM 78 CG PHE A 5 16.185 2.062 -0.360 1.00 0.85 C ATOM 79 CD1 PHE A 5 16.695 1.371 0.726 1.00 1.04 C ATOM 80 CD2 PHE A 5 16.388 3.431 -0.433 1.00 1.20 C ATOM 81 CE1 PHE A 5 17.394 2.031 1.718 1.00 1.46 C ATOM 82 CE2 PHE A 5 17.086 4.096 0.555 1.00 1.56 C ATOM 83 CZ PHE A 5 17.561 3.399 1.649 1.00 1.65 C ATOM 0 H PHE A 5 13.849 0.178 -2.943 1.00 0.62 H new ATOM 0 HA PHE A 5 14.580 -0.211 -0.233 1.00 0.66 H new ATOM 0 HB2 PHE A 5 16.112 0.653 -1.947 1.00 0.79 H new ATOM 0 HB3 PHE A 5 15.097 2.062 -2.184 1.00 0.79 H new ATOM 0 HD1 PHE A 5 16.545 0.304 0.798 1.00 1.04 H new ATOM 0 HD2 PHE A 5 15.995 3.984 -1.273 1.00 1.20 H new ATOM 0 HE1 PHE A 5 17.809 1.477 2.547 1.00 1.46 H new ATOM 0 HE2 PHE A 5 17.260 5.159 0.473 1.00 1.56 H new ATOM 0 HZ PHE A 5 18.062 3.924 2.449 1.00 1.65 H new ATOM 91 N GLU A 6 12.440 2.168 -0.935 1.00 0.57 N ATOM 92 CA GLU A 6 11.517 3.128 -0.368 1.00 0.53 C ATOM 93 C GLU A 6 10.530 2.450 0.582 1.00 0.49 C ATOM 94 O GLU A 6 10.294 2.949 1.680 1.00 0.49 O ATOM 95 CB GLU A 6 10.793 3.883 -1.485 1.00 0.57 C ATOM 96 CG GLU A 6 11.758 4.477 -2.504 1.00 0.70 C ATOM 97 CD GLU A 6 11.153 5.588 -3.335 1.00 1.42 C ATOM 98 OE1 GLU A 6 10.649 6.572 -2.752 1.00 1.97 O ATOM 99 OE2 GLU A 6 11.137 5.462 -4.573 1.00 2.09 O ATOM 0 H GLU A 6 12.375 2.068 -1.948 1.00 0.57 H new ATOM 0 HA GLU A 6 12.083 3.850 0.221 1.00 0.53 H new ATOM 0 HB2 GLU A 6 10.105 3.206 -1.991 1.00 0.57 H new ATOM 0 HB3 GLU A 6 10.191 4.681 -1.050 1.00 0.57 H new ATOM 0 HG2 GLU A 6 12.634 4.861 -1.981 1.00 0.70 H new ATOM 0 HG3 GLU A 6 12.105 3.685 -3.168 1.00 0.70 H new ATOM 102 N LEU A 7 10.023 1.277 0.206 1.00 0.49 N ATOM 103 CA LEU A 7 9.118 0.531 1.078 1.00 0.51 C ATOM 104 C LEU A 7 9.835 0.001 2.314 1.00 0.53 C ATOM 105 O LEU A 7 9.331 0.129 3.434 1.00 0.56 O ATOM 106 CB LEU A 7 8.477 -0.643 0.338 1.00 0.56 C ATOM 107 CG LEU A 7 7.289 -0.295 -0.555 1.00 0.79 C ATOM 108 CD1 LEU A 7 6.588 -1.569 -1.001 1.00 1.43 C ATOM 109 CD2 LEU A 7 6.315 0.620 0.171 1.00 1.45 C ATOM 0 H LEU A 7 10.221 0.826 -0.687 1.00 0.49 H new ATOM 0 HA LEU A 7 8.343 1.231 1.390 1.00 0.51 H new ATOM 0 HB2 LEU A 7 9.240 -1.122 -0.275 1.00 0.56 H new ATOM 0 HB3 LEU A 7 8.151 -1.378 1.074 1.00 0.56 H new ATOM 0 HG LEU A 7 7.658 0.235 -1.433 1.00 0.79 H new ATOM 0 HD11 LEU A 7 5.741 -1.314 -1.638 1.00 1.43 H new ATOM 0 HD12 LEU A 7 7.287 -2.193 -1.559 1.00 1.43 H new ATOM 0 HD13 LEU A 7 6.233 -2.114 -0.126 1.00 1.43 H new ATOM 0 HD21 LEU A 7 5.477 0.854 -0.486 1.00 1.45 H new ATOM 0 HD22 LEU A 7 5.946 0.121 1.067 1.00 1.45 H new ATOM 0 HD23 LEU A 7 6.823 1.542 0.453 1.00 1.45 H new ATOM 119 N ARG A 8 10.995 -0.624 2.114 1.00 0.56 N ATOM 120 CA ARG A 8 11.721 -1.211 3.234 1.00 0.62 C ATOM 121 C ARG A 8 12.148 -0.132 4.226 1.00 0.60 C ATOM 122 O ARG A 8 12.089 -0.334 5.440 1.00 0.63 O ATOM 123 CB ARG A 8 12.930 -2.028 2.762 1.00 0.70 C ATOM 124 CG ARG A 8 13.976 -1.228 2.007 1.00 1.30 C ATOM 125 CD ARG A 8 15.270 -2.011 1.812 1.00 1.61 C ATOM 126 NE ARG A 8 16.000 -2.193 3.069 1.00 1.92 N ATOM 127 CZ ARG A 8 15.738 -3.147 3.964 1.00 2.84 C ATOM 128 NH1 ARG A 8 14.985 -4.192 3.630 1.00 3.51 N ATOM 129 NH2 ARG A 8 16.295 -3.093 5.170 1.00 3.56 N ATOM 0 H ARG A 8 11.443 -0.735 1.205 1.00 0.56 H new ATOM 0 HA ARG A 8 11.043 -1.897 3.741 1.00 0.62 H new ATOM 0 HB2 ARG A 8 13.401 -2.490 3.630 1.00 0.70 H new ATOM 0 HB3 ARG A 8 12.578 -2.837 2.122 1.00 0.70 H new ATOM 0 HG2 ARG A 8 13.578 -0.939 1.034 1.00 1.30 H new ATOM 0 HG3 ARG A 8 14.189 -0.307 2.550 1.00 1.30 H new ATOM 0 HD2 ARG A 8 15.042 -2.986 1.382 1.00 1.61 H new ATOM 0 HD3 ARG A 8 15.905 -1.488 1.097 1.00 1.61 H new ATOM 0 HE ARG A 8 16.761 -1.546 3.274 1.00 1.92 H new ATOM 0 HH11 ARG A 8 14.605 -4.266 2.686 1.00 3.51 H new ATOM 0 HH12 ARG A 8 14.787 -4.919 4.318 1.00 3.51 H new ATOM 0 HH21 ARG A 8 16.921 -2.324 5.409 1.00 3.56 H new ATOM 0 HH22 ARG A 8 16.097 -3.821 5.856 1.00 3.56 H new ATOM 137 N LYS A 9 12.509 1.037 3.709 1.00 0.56 N ATOM 138 CA LYS A 9 12.879 2.160 4.559 1.00 0.56 C ATOM 139 C LYS A 9 11.641 2.764 5.217 1.00 0.50 C ATOM 140 O LYS A 9 11.698 3.220 6.358 1.00 0.50 O ATOM 141 CB LYS A 9 13.620 3.231 3.757 1.00 0.60 C ATOM 142 CG LYS A 9 14.358 4.232 4.631 1.00 1.06 C ATOM 143 CD LYS A 9 15.500 3.563 5.384 1.00 1.67 C ATOM 144 CE LYS A 9 16.143 4.505 6.388 1.00 2.14 C ATOM 145 NZ LYS A 9 15.237 4.811 7.529 1.00 2.75 N ATOM 0 H LYS A 9 12.553 1.230 2.708 1.00 0.56 H new ATOM 0 HA LYS A 9 13.546 1.787 5.337 1.00 0.56 H new ATOM 0 HB2 LYS A 9 14.333 2.747 3.089 1.00 0.60 H new ATOM 0 HB3 LYS A 9 12.906 3.764 3.129 1.00 0.60 H new ATOM 0 HG2 LYS A 9 14.749 5.040 4.013 1.00 1.06 H new ATOM 0 HG3 LYS A 9 13.664 4.681 5.341 1.00 1.06 H new ATOM 0 HD2 LYS A 9 15.126 2.680 5.902 1.00 1.67 H new ATOM 0 HD3 LYS A 9 16.252 3.221 4.674 1.00 1.67 H new ATOM 0 HE2 LYS A 9 17.063 4.059 6.766 1.00 2.14 H new ATOM 0 HE3 LYS A 9 16.421 5.433 5.888 1.00 2.14 H new ATOM 0 HZ1 LYS A 9 15.750 5.373 8.238 1.00 2.75 H new ATOM 0 HZ2 LYS A 9 14.417 5.351 7.186 1.00 2.75 H new ATOM 0 HZ3 LYS A 9 14.911 3.923 7.961 1.00 2.75 H new ATOM 151 N ALA A 10 10.530 2.774 4.488 1.00 0.47 N ATOM 152 CA ALA A 10 9.282 3.334 4.996 1.00 0.44 C ATOM 153 C ALA A 10 8.808 2.575 6.225 1.00 0.45 C ATOM 154 O ALA A 10 8.358 3.178 7.195 1.00 0.47 O ATOM 155 CB ALA A 10 8.211 3.325 3.918 1.00 0.44 C ATOM 0 H ALA A 10 10.468 2.400 3.541 1.00 0.47 H new ATOM 0 HA ALA A 10 9.470 4.368 5.286 1.00 0.44 H new ATOM 0 HB1 ALA A 10 7.289 3.747 4.318 1.00 0.44 H new ATOM 0 HB2 ALA A 10 8.544 3.921 3.069 1.00 0.44 H new ATOM 0 HB3 ALA A 10 8.030 2.300 3.593 1.00 0.44 H new ATOM 161 N GLN A 11 8.951 1.256 6.193 1.00 0.47 N ATOM 162 CA GLN A 11 8.594 0.419 7.336 1.00 0.53 C ATOM 163 C GLN A 11 9.436 0.778 8.559 1.00 0.58 C ATOM 164 O GLN A 11 8.960 0.711 9.694 1.00 0.63 O ATOM 165 CB GLN A 11 8.769 -1.063 6.988 1.00 0.59 C ATOM 166 CG GLN A 11 7.609 -1.637 6.192 1.00 1.07 C ATOM 167 CD GLN A 11 6.371 -1.851 7.044 1.00 1.69 C ATOM 168 OE1 GLN A 11 5.932 -0.955 7.767 1.00 2.18 O ATOM 169 NE2 GLN A 11 5.790 -3.036 6.958 1.00 2.44 N ATOM 0 H GLN A 11 9.311 0.741 5.389 1.00 0.47 H new ATOM 0 HA GLN A 11 7.547 0.602 7.576 1.00 0.53 H new ATOM 0 HB2 GLN A 11 9.689 -1.188 6.417 1.00 0.59 H new ATOM 0 HB3 GLN A 11 8.885 -1.634 7.909 1.00 0.59 H new ATOM 0 HG2 GLN A 11 7.368 -0.964 5.369 1.00 1.07 H new ATOM 0 HG3 GLN A 11 7.910 -2.586 5.749 1.00 1.07 H new ATOM 0 HE21 GLN A 11 6.183 -3.753 6.348 1.00 2.44 H new ATOM 0 HE22 GLN A 11 4.949 -3.232 7.501 1.00 2.44 H new ATOM 174 N ASP A 12 10.689 1.140 8.316 1.00 0.61 N ATOM 175 CA ASP A 12 11.618 1.496 9.384 1.00 0.73 C ATOM 176 C ASP A 12 11.329 2.888 9.946 1.00 0.68 C ATOM 177 O ASP A 12 11.263 3.075 11.163 1.00 0.73 O ATOM 178 CB ASP A 12 13.057 1.425 8.861 1.00 0.92 C ATOM 179 CG ASP A 12 14.071 2.025 9.819 1.00 0.95 C ATOM 180 OD1 ASP A 12 14.137 1.585 10.989 1.00 1.32 O ATOM 181 OD2 ASP A 12 14.833 2.920 9.392 1.00 1.43 O ATOM 0 H ASP A 12 11.090 1.195 7.380 1.00 0.61 H new ATOM 0 HA ASP A 12 11.487 0.781 10.197 1.00 0.73 H new ATOM 0 HB2 ASP A 12 13.317 0.384 8.672 1.00 0.92 H new ATOM 0 HB3 ASP A 12 13.116 1.947 7.906 1.00 0.92 H new ATOM 184 N THR A 13 11.200 3.869 9.064 1.00 0.64 N ATOM 185 CA THR A 13 10.987 5.249 9.485 1.00 0.68 C ATOM 186 C THR A 13 9.533 5.503 9.885 1.00 0.58 C ATOM 187 O THR A 13 9.248 5.889 11.019 1.00 0.95 O ATOM 188 CB THR A 13 11.396 6.228 8.368 1.00 0.96 C ATOM 189 OG1 THR A 13 12.750 5.968 7.980 1.00 1.96 O ATOM 190 CG2 THR A 13 11.269 7.672 8.828 1.00 1.02 C ATOM 0 H THR A 13 11.239 3.737 8.053 1.00 0.64 H new ATOM 0 HA THR A 13 11.614 5.417 10.360 1.00 0.68 H new ATOM 0 HB THR A 13 10.728 6.079 7.520 1.00 0.96 H new ATOM 0 HG1 THR A 13 13.027 6.619 7.302 1.00 1.96 H new ATOM 0 HG21 THR A 13 11.565 8.339 8.018 1.00 1.02 H new ATOM 0 HG22 THR A 13 10.235 7.875 9.107 1.00 1.02 H new ATOM 0 HG23 THR A 13 11.916 7.838 9.689 1.00 1.02 H new ATOM 198 N GLY A 14 8.618 5.231 8.972 1.00 0.59 N ATOM 199 CA GLY A 14 7.211 5.384 9.265 1.00 0.55 C ATOM 200 C GLY A 14 6.599 4.095 9.758 1.00 0.50 C ATOM 201 O GLY A 14 7.158 3.430 10.633 1.00 0.64 O ATOM 0 H GLY A 14 8.825 4.905 8.028 1.00 0.59 H new ATOM 0 HA2 GLY A 14 7.079 6.161 10.018 1.00 0.55 H new ATOM 0 HA3 GLY A 14 6.687 5.716 8.369 1.00 0.55 H new ATOM 205 N LYS A 15 5.499 3.694 9.138 1.00 0.47 N ATOM 206 CA LYS A 15 4.855 2.435 9.470 1.00 0.55 C ATOM 207 C LYS A 15 3.789 2.095 8.440 1.00 0.41 C ATOM 208 O LYS A 15 3.017 2.959 8.019 1.00 0.42 O ATOM 209 CB LYS A 15 4.236 2.492 10.870 1.00 0.85 C ATOM 210 CG LYS A 15 3.940 1.119 11.457 1.00 1.63 C ATOM 211 CD LYS A 15 5.182 0.238 11.455 1.00 2.21 C ATOM 212 CE LYS A 15 6.315 0.860 12.257 1.00 2.74 C ATOM 213 NZ LYS A 15 7.608 0.176 12.011 1.00 3.52 N ATOM 0 H LYS A 15 5.034 4.224 8.401 1.00 0.47 H new ATOM 0 HA LYS A 15 5.615 1.654 9.461 1.00 0.55 H new ATOM 0 HB2 LYS A 15 4.913 3.026 11.537 1.00 0.85 H new ATOM 0 HB3 LYS A 15 3.311 3.068 10.827 1.00 0.85 H new ATOM 0 HG2 LYS A 15 3.571 1.229 12.477 1.00 1.63 H new ATOM 0 HG3 LYS A 15 3.149 0.638 10.882 1.00 1.63 H new ATOM 0 HD2 LYS A 15 4.936 -0.739 11.871 1.00 2.21 H new ATOM 0 HD3 LYS A 15 5.510 0.074 10.429 1.00 2.21 H new ATOM 0 HE2 LYS A 15 6.407 1.915 11.997 1.00 2.74 H new ATOM 0 HE3 LYS A 15 6.076 0.813 13.319 1.00 2.74 H new ATOM 0 HZ1 LYS A 15 8.221 0.283 12.844 1.00 3.52 H new ATOM 0 HZ2 LYS A 15 7.438 -0.835 11.834 1.00 3.52 H new ATOM 0 HZ3 LYS A 15 8.072 0.599 11.182 1.00 3.52 H new ATOM 219 N ILE A 16 3.805 0.853 7.985 1.00 0.40 N ATOM 220 CA ILE A 16 2.876 0.387 6.972 1.00 0.37 C ATOM 221 C ILE A 16 2.155 -0.861 7.465 1.00 0.38 C ATOM 222 O ILE A 16 2.795 -1.837 7.865 1.00 0.48 O ATOM 223 CB ILE A 16 3.600 0.057 5.638 1.00 0.51 C ATOM 224 CG1 ILE A 16 4.165 1.315 4.977 1.00 0.59 C ATOM 225 CG2 ILE A 16 2.670 -0.657 4.673 1.00 0.63 C ATOM 226 CD1 ILE A 16 5.489 1.768 5.543 1.00 0.99 C ATOM 0 H ILE A 16 4.461 0.142 8.307 1.00 0.40 H new ATOM 0 HA ILE A 16 2.161 1.189 6.788 1.00 0.37 H new ATOM 0 HB ILE A 16 4.431 -0.605 5.883 1.00 0.51 H new ATOM 0 HG12 ILE A 16 4.283 1.130 3.909 1.00 0.59 H new ATOM 0 HG13 ILE A 16 3.442 2.124 5.082 1.00 0.59 H new ATOM 0 HG21 ILE A 16 3.204 -0.876 3.748 1.00 0.63 H new ATOM 0 HG22 ILE A 16 2.325 -1.589 5.122 1.00 0.63 H new ATOM 0 HG23 ILE A 16 1.813 -0.020 4.456 1.00 0.63 H new ATOM 0 HD11 ILE A 16 5.820 2.665 5.020 1.00 0.99 H new ATOM 0 HD12 ILE A 16 5.375 1.988 6.604 1.00 0.99 H new ATOM 0 HD13 ILE A 16 6.229 0.978 5.414 1.00 0.99 H new ATOM 236 N VAL A 17 0.833 -0.854 7.387 1.00 0.36 N ATOM 237 CA VAL A 17 0.063 -2.035 7.737 1.00 0.37 C ATOM 238 C VAL A 17 0.057 -3.003 6.555 1.00 0.37 C ATOM 239 O VAL A 17 -0.103 -2.587 5.403 1.00 0.59 O ATOM 240 CB VAL A 17 -1.386 -1.689 8.168 1.00 0.51 C ATOM 241 CG1 VAL A 17 -2.263 -1.328 6.980 1.00 0.83 C ATOM 242 CG2 VAL A 17 -1.995 -2.837 8.957 1.00 1.04 C ATOM 0 H VAL A 17 0.277 -0.053 7.088 1.00 0.36 H new ATOM 0 HA VAL A 17 0.540 -2.505 8.597 1.00 0.37 H new ATOM 0 HB VAL A 17 -1.335 -0.809 8.810 1.00 0.51 H new ATOM 0 HG11 VAL A 17 -3.269 -1.093 7.328 1.00 0.83 H new ATOM 0 HG12 VAL A 17 -1.844 -0.461 6.469 1.00 0.83 H new ATOM 0 HG13 VAL A 17 -2.306 -2.171 6.290 1.00 0.83 H new ATOM 0 HG21 VAL A 17 -3.012 -2.577 9.251 1.00 1.04 H new ATOM 0 HG22 VAL A 17 -2.015 -3.734 8.338 1.00 1.04 H new ATOM 0 HG23 VAL A 17 -1.396 -3.024 9.848 1.00 1.04 H new ATOM 252 N MET A 18 0.365 -4.260 6.819 1.00 0.32 N ATOM 253 CA MET A 18 0.489 -5.246 5.753 1.00 0.42 C ATOM 254 C MET A 18 -0.552 -6.346 5.894 1.00 0.63 C ATOM 255 O MET A 18 -0.747 -6.903 6.976 1.00 0.87 O ATOM 256 CB MET A 18 1.902 -5.837 5.730 1.00 0.74 C ATOM 257 CG MET A 18 2.431 -6.240 7.095 1.00 1.20 C ATOM 258 SD MET A 18 4.180 -6.674 7.052 1.00 1.77 S ATOM 259 CE MET A 18 4.518 -6.881 8.797 1.00 2.03 C ATOM 0 H MET A 18 0.534 -4.624 7.757 1.00 0.32 H new ATOM 0 HA MET A 18 0.310 -4.739 4.805 1.00 0.42 H new ATOM 0 HB2 MET A 18 1.908 -6.711 5.078 1.00 0.74 H new ATOM 0 HB3 MET A 18 2.582 -5.107 5.290 1.00 0.74 H new ATOM 0 HG2 MET A 18 2.280 -5.420 7.797 1.00 1.20 H new ATOM 0 HG3 MET A 18 1.858 -7.089 7.468 1.00 1.20 H new ATOM 0 HE1 MET A 18 5.565 -7.152 8.935 1.00 2.03 H new ATOM 0 HE2 MET A 18 4.313 -5.947 9.321 1.00 2.03 H new ATOM 0 HE3 MET A 18 3.883 -7.670 9.200 1.00 2.03 H new ATOM 265 N GLY A 19 -1.260 -6.605 4.804 1.00 0.70 N ATOM 266 CA GLY A 19 -2.314 -7.598 4.809 1.00 1.09 C ATOM 267 C GLY A 19 -3.269 -7.392 3.656 1.00 0.88 C ATOM 268 O GLY A 19 -2.854 -7.352 2.495 1.00 1.71 O ATOM 0 H GLY A 19 -1.121 -6.139 3.907 1.00 0.70 H new ATOM 0 HA2 GLY A 19 -1.877 -8.595 4.749 1.00 1.09 H new ATOM 0 HA3 GLY A 19 -2.861 -7.546 5.750 1.00 1.09 H new ATOM 272 N ALA A 20 -4.536 -7.190 3.984 1.00 0.76 N ATOM 273 CA ALA A 20 -5.553 -6.900 2.985 1.00 0.53 C ATOM 274 C ALA A 20 -6.764 -6.242 3.632 1.00 0.48 C ATOM 275 O ALA A 20 -7.070 -5.083 3.358 1.00 0.49 O ATOM 276 CB ALA A 20 -5.967 -8.169 2.255 1.00 0.67 C ATOM 0 H ALA A 20 -4.886 -7.222 4.941 1.00 0.76 H new ATOM 0 HA ALA A 20 -5.129 -6.208 2.258 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -6.728 -7.930 1.512 1.00 0.67 H new ATOM 0 HB2 ALA A 20 -5.099 -8.603 1.758 1.00 0.67 H new ATOM 0 HB3 ALA A 20 -6.371 -8.885 2.971 1.00 0.67 H new ATOM 282 N ARG A 21 -7.370 -6.942 4.584 1.00 0.50 N ATOM 283 CA ARG A 21 -8.501 -6.398 5.331 1.00 0.54 C ATOM 284 C ARG A 21 -8.052 -5.255 6.227 1.00 0.49 C ATOM 285 O ARG A 21 -8.769 -4.272 6.402 1.00 0.54 O ATOM 286 CB ARG A 21 -9.193 -7.482 6.163 1.00 0.66 C ATOM 287 CG ARG A 21 -9.938 -8.509 5.327 1.00 1.48 C ATOM 288 CD ARG A 21 -9.017 -9.618 4.851 1.00 1.94 C ATOM 289 NE ARG A 21 -9.622 -10.428 3.795 1.00 2.79 N ATOM 290 CZ ARG A 21 -9.124 -11.590 3.378 1.00 3.74 C ATOM 291 NH1 ARG A 21 -8.123 -12.167 4.041 1.00 4.12 N ATOM 292 NH2 ARG A 21 -9.648 -12.191 2.317 1.00 4.68 N ATOM 0 H ARG A 21 -7.099 -7.886 4.858 1.00 0.50 H new ATOM 0 HA ARG A 21 -9.221 -6.016 4.607 1.00 0.54 H new ATOM 0 HB2 ARG A 21 -8.447 -7.993 6.771 1.00 0.66 H new ATOM 0 HB3 ARG A 21 -9.894 -7.008 6.850 1.00 0.66 H new ATOM 0 HG2 ARG A 21 -10.750 -8.937 5.915 1.00 1.48 H new ATOM 0 HG3 ARG A 21 -10.392 -8.018 4.466 1.00 1.48 H new ATOM 0 HD2 ARG A 21 -8.087 -9.183 4.484 1.00 1.94 H new ATOM 0 HD3 ARG A 21 -8.758 -10.259 5.694 1.00 1.94 H new ATOM 0 HE ARG A 21 -10.474 -10.083 3.353 1.00 2.79 H new ATOM 0 HH11 ARG A 21 -7.736 -11.718 4.871 1.00 4.12 H new ATOM 0 HH12 ARG A 21 -7.744 -13.057 3.719 1.00 4.12 H new ATOM 0 HH21 ARG A 21 -10.431 -11.762 1.823 1.00 4.68 H new ATOM 0 HH22 ARG A 21 -9.268 -13.081 1.996 1.00 4.68 H new ATOM 300 N LYS A 22 -6.829 -5.361 6.735 1.00 0.46 N ATOM 301 CA LYS A 22 -6.246 -4.305 7.550 1.00 0.49 C ATOM 302 C LYS A 22 -6.160 -3.012 6.747 1.00 0.47 C ATOM 303 O LYS A 22 -6.541 -1.946 7.226 1.00 0.49 O ATOM 304 CB LYS A 22 -4.848 -4.711 8.029 1.00 0.50 C ATOM 305 CG LYS A 22 -4.813 -5.963 8.898 1.00 0.80 C ATOM 306 CD LYS A 22 -5.149 -5.671 10.356 1.00 1.14 C ATOM 307 CE LYS A 22 -6.635 -5.418 10.571 1.00 1.61 C ATOM 308 NZ LYS A 22 -6.961 -5.229 12.010 1.00 1.91 N ATOM 0 H LYS A 22 -6.223 -6.169 6.596 1.00 0.46 H new ATOM 0 HA LYS A 22 -6.884 -4.145 8.419 1.00 0.49 H new ATOM 0 HB2 LYS A 22 -4.212 -4.871 7.158 1.00 0.50 H new ATOM 0 HB3 LYS A 22 -4.416 -3.883 8.591 1.00 0.50 H new ATOM 0 HG2 LYS A 22 -5.520 -6.694 8.505 1.00 0.80 H new ATOM 0 HG3 LYS A 22 -3.822 -6.414 8.840 1.00 0.80 H new ATOM 0 HD2 LYS A 22 -4.833 -6.512 10.974 1.00 1.14 H new ATOM 0 HD3 LYS A 22 -4.583 -4.801 10.689 1.00 1.14 H new ATOM 0 HE2 LYS A 22 -6.938 -4.534 10.011 1.00 1.61 H new ATOM 0 HE3 LYS A 22 -7.207 -6.257 10.176 1.00 1.61 H new ATOM 0 HZ1 LYS A 22 -7.982 -5.059 12.115 1.00 1.91 H new ATOM 0 HZ2 LYS A 22 -6.695 -6.083 12.541 1.00 1.91 H new ATOM 0 HZ3 LYS A 22 -6.434 -4.413 12.381 1.00 1.91 H new ATOM 314 N SER A 23 -5.732 -3.136 5.497 1.00 0.46 N ATOM 315 CA SER A 23 -5.641 -1.996 4.596 1.00 0.48 C ATOM 316 C SER A 23 -7.030 -1.431 4.298 1.00 0.48 C ATOM 317 O SER A 23 -7.214 -0.215 4.251 1.00 0.50 O ATOM 318 CB SER A 23 -4.937 -2.402 3.299 1.00 0.52 C ATOM 319 OG SER A 23 -4.658 -1.278 2.485 1.00 1.14 O ATOM 0 H SER A 23 -5.441 -4.021 5.083 1.00 0.46 H new ATOM 0 HA SER A 23 -5.054 -1.217 5.082 1.00 0.48 H new ATOM 0 HB2 SER A 23 -4.008 -2.921 3.535 1.00 0.52 H new ATOM 0 HB3 SER A 23 -5.563 -3.104 2.749 1.00 0.52 H new ATOM 0 HG SER A 23 -3.950 -1.504 1.846 1.00 1.14 H new ATOM 323 N ILE A 24 -8.012 -2.319 4.150 1.00 0.49 N ATOM 324 CA ILE A 24 -9.388 -1.902 3.909 1.00 0.52 C ATOM 325 C ILE A 24 -9.895 -1.052 5.070 1.00 0.49 C ATOM 326 O ILE A 24 -10.462 0.020 4.864 1.00 0.52 O ATOM 327 CB ILE A 24 -10.336 -3.109 3.719 1.00 0.57 C ATOM 328 CG1 ILE A 24 -9.873 -3.978 2.546 1.00 0.63 C ATOM 329 CG2 ILE A 24 -11.766 -2.635 3.491 1.00 0.60 C ATOM 330 CD1 ILE A 24 -10.713 -5.219 2.334 1.00 0.66 C ATOM 0 H ILE A 24 -7.878 -3.329 4.193 1.00 0.49 H new ATOM 0 HA ILE A 24 -9.386 -1.318 2.988 1.00 0.52 H new ATOM 0 HB ILE A 24 -10.309 -3.710 4.628 1.00 0.57 H new ATOM 0 HG12 ILE A 24 -9.889 -3.380 1.635 1.00 0.63 H new ATOM 0 HG13 ILE A 24 -8.838 -4.276 2.713 1.00 0.63 H new ATOM 0 HG21 ILE A 24 -12.419 -3.498 3.359 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -12.099 -2.056 4.352 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -11.805 -2.011 2.598 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -10.323 -5.782 1.486 1.00 0.66 H new ATOM 0 HD12 ILE A 24 -10.677 -5.840 3.229 1.00 0.66 H new ATOM 0 HD13 ILE A 24 -11.745 -4.930 2.134 1.00 0.66 H new ATOM 340 N GLN A 25 -9.660 -1.525 6.292 1.00 0.47 N ATOM 341 CA GLN A 25 -10.100 -0.811 7.486 1.00 0.49 C ATOM 342 C GLN A 25 -9.445 0.564 7.577 1.00 0.44 C ATOM 343 O GLN A 25 -10.108 1.557 7.874 1.00 0.47 O ATOM 344 CB GLN A 25 -9.796 -1.619 8.751 1.00 0.54 C ATOM 345 CG GLN A 25 -10.325 -0.965 10.015 1.00 0.81 C ATOM 346 CD GLN A 25 -10.025 -1.754 11.276 1.00 1.35 C ATOM 347 OE1 GLN A 25 -10.415 -1.353 12.372 1.00 2.19 O ATOM 348 NE2 GLN A 25 -9.355 -2.888 11.137 1.00 1.75 N ATOM 0 H GLN A 25 -9.168 -2.398 6.480 1.00 0.47 H new ATOM 0 HA GLN A 25 -11.179 -0.677 7.408 1.00 0.49 H new ATOM 0 HB2 GLN A 25 -10.232 -2.613 8.654 1.00 0.54 H new ATOM 0 HB3 GLN A 25 -8.718 -1.751 8.841 1.00 0.54 H new ATOM 0 HG2 GLN A 25 -9.892 0.031 10.108 1.00 0.81 H new ATOM 0 HG3 GLN A 25 -11.404 -0.837 9.924 1.00 0.81 H new ATOM 0 HE21 GLN A 25 -9.048 -3.189 10.212 1.00 1.75 H new ATOM 0 HE22 GLN A 25 -9.147 -3.461 11.955 1.00 1.75 H new ATOM 353 N TYR A 26 -8.154 0.623 7.273 1.00 0.41 N ATOM 354 CA TYR A 26 -7.420 1.885 7.290 1.00 0.42 C ATOM 355 C TYR A 26 -8.013 2.874 6.292 1.00 0.42 C ATOM 356 O TYR A 26 -8.138 4.061 6.592 1.00 0.46 O ATOM 357 CB TYR A 26 -5.933 1.661 7.002 1.00 0.43 C ATOM 358 CG TYR A 26 -5.134 1.206 8.209 1.00 0.46 C ATOM 359 CD1 TYR A 26 -5.631 0.233 9.065 1.00 0.47 C ATOM 360 CD2 TYR A 26 -3.880 1.740 8.485 1.00 0.56 C ATOM 361 CE1 TYR A 26 -4.904 -0.193 10.162 1.00 0.54 C ATOM 362 CE2 TYR A 26 -3.149 1.321 9.579 1.00 0.62 C ATOM 363 CZ TYR A 26 -3.670 0.392 10.432 1.00 0.57 C ATOM 364 OH TYR A 26 -2.935 -0.067 11.506 1.00 0.66 O ATOM 0 H TYR A 26 -7.593 -0.188 7.012 1.00 0.41 H new ATOM 0 HA TYR A 26 -7.513 2.309 8.290 1.00 0.42 H new ATOM 0 HB2 TYR A 26 -5.834 0.917 6.212 1.00 0.43 H new ATOM 0 HB3 TYR A 26 -5.503 2.588 6.622 1.00 0.43 H new ATOM 0 HD1 TYR A 26 -6.602 -0.199 8.871 1.00 0.47 H new ATOM 0 HD2 TYR A 26 -3.470 2.496 7.832 1.00 0.56 H new ATOM 0 HE1 TYR A 26 -5.290 -0.972 10.803 1.00 0.54 H new ATOM 0 HE2 TYR A 26 -2.165 1.728 9.759 1.00 0.62 H new ATOM 0 HH TYR A 26 -2.096 0.436 11.568 1.00 0.66 H new ATOM 372 N ALA A 27 -8.445 2.363 5.144 1.00 0.40 N ATOM 373 CA ALA A 27 -9.108 3.185 4.138 1.00 0.44 C ATOM 374 C ALA A 27 -10.461 3.673 4.645 1.00 0.48 C ATOM 375 O ALA A 27 -10.840 4.826 4.431 1.00 0.55 O ATOM 376 CB ALA A 27 -9.283 2.399 2.847 1.00 0.47 C ATOM 0 H ALA A 27 -8.348 1.381 4.887 1.00 0.40 H new ATOM 0 HA ALA A 27 -8.482 4.055 3.939 1.00 0.44 H new ATOM 0 HB1 ALA A 27 -9.779 3.024 2.105 1.00 0.47 H new ATOM 0 HB2 ALA A 27 -8.306 2.095 2.471 1.00 0.47 H new ATOM 0 HB3 ALA A 27 -9.889 1.514 3.039 1.00 0.47 H new ATOM 382 N LYS A 28 -11.190 2.773 5.296 1.00 0.48 N ATOM 383 CA LYS A 28 -12.519 3.072 5.820 1.00 0.56 C ATOM 384 C LYS A 28 -12.460 4.131 6.918 1.00 0.62 C ATOM 385 O LYS A 28 -13.250 5.075 6.923 1.00 0.73 O ATOM 386 CB LYS A 28 -13.164 1.794 6.366 1.00 0.58 C ATOM 387 CG LYS A 28 -13.387 0.726 5.304 1.00 1.02 C ATOM 388 CD LYS A 28 -13.724 -0.624 5.915 1.00 1.11 C ATOM 389 CE LYS A 28 -15.053 -0.598 6.646 1.00 1.31 C ATOM 390 NZ LYS A 28 -15.374 -1.918 7.248 1.00 2.06 N ATOM 0 H LYS A 28 -10.878 1.819 5.475 1.00 0.48 H new ATOM 0 HA LYS A 28 -13.122 3.466 5.002 1.00 0.56 H new ATOM 0 HB2 LYS A 28 -12.532 1.385 7.154 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -14.121 2.046 6.823 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -14.196 1.036 4.642 1.00 1.02 H new ATOM 0 HG3 LYS A 28 -12.491 0.633 4.690 1.00 1.02 H new ATOM 0 HD2 LYS A 28 -13.756 -1.380 5.130 1.00 1.11 H new ATOM 0 HD3 LYS A 28 -12.935 -0.916 6.607 1.00 1.11 H new ATOM 0 HE2 LYS A 28 -15.024 0.161 7.428 1.00 1.31 H new ATOM 0 HE3 LYS A 28 -15.844 -0.312 5.953 1.00 1.31 H new ATOM 0 HZ1 LYS A 28 -16.289 -1.862 7.739 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -15.426 -2.638 6.499 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -14.632 -2.179 7.928 1.00 2.06 H new ATOM 396 N MET A 29 -11.552 3.949 7.867 1.00 0.60 N ATOM 397 CA MET A 29 -11.426 4.875 8.988 1.00 0.73 C ATOM 398 C MET A 29 -10.673 6.137 8.574 1.00 0.75 C ATOM 399 O MET A 29 -10.697 7.147 9.279 1.00 1.07 O ATOM 400 CB MET A 29 -10.727 4.206 10.180 1.00 1.26 C ATOM 401 CG MET A 29 -9.246 3.937 9.969 1.00 1.48 C ATOM 402 SD MET A 29 -8.455 3.275 11.448 1.00 2.39 S ATOM 403 CE MET A 29 -6.741 3.221 10.923 1.00 3.09 C ATOM 0 H MET A 29 -10.892 3.171 7.885 1.00 0.60 H new ATOM 0 HA MET A 29 -12.432 5.159 9.295 1.00 0.73 H new ATOM 0 HB2 MET A 29 -10.847 4.840 11.059 1.00 1.26 H new ATOM 0 HB3 MET A 29 -11.228 3.263 10.397 1.00 1.26 H new ATOM 0 HG2 MET A 29 -9.120 3.233 9.146 1.00 1.48 H new ATOM 0 HG3 MET A 29 -8.749 4.862 9.676 1.00 1.48 H new ATOM 0 HE1 MET A 29 -6.384 2.192 10.952 1.00 3.09 H new ATOM 0 HE2 MET A 29 -6.660 3.605 9.906 1.00 3.09 H new ATOM 0 HE3 MET A 29 -6.136 3.834 11.592 1.00 3.09 H new ATOM 409 N GLY A 30 -9.971 6.059 7.449 1.00 0.77 N ATOM 410 CA GLY A 30 -9.195 7.185 6.971 1.00 1.31 C ATOM 411 C GLY A 30 -7.961 7.427 7.811 1.00 0.87 C ATOM 412 O GLY A 30 -7.655 8.566 8.166 1.00 1.43 O ATOM 0 H GLY A 30 -9.927 5.230 6.857 1.00 0.77 H new ATOM 0 HA2 GLY A 30 -8.899 7.007 5.937 1.00 1.31 H new ATOM 0 HA3 GLY A 30 -9.817 8.080 6.975 1.00 1.31 H new ATOM 416 N GLY A 31 -7.254 6.354 8.134 1.00 0.71 N ATOM 417 CA GLY A 31 -6.069 6.461 8.961 1.00 1.01 C ATOM 418 C GLY A 31 -4.830 5.948 8.261 1.00 1.00 C ATOM 419 O GLY A 31 -4.097 5.125 8.807 1.00 1.67 O ATOM 0 H GLY A 31 -7.482 5.405 7.836 1.00 0.71 H new ATOM 0 HA2 GLY A 31 -5.919 7.503 9.243 1.00 1.01 H new ATOM 0 HA3 GLY A 31 -6.221 5.900 9.883 1.00 1.01 H new ATOM 423 N ALA A 32 -4.598 6.437 7.052 1.00 0.55 N ATOM 424 CA ALA A 32 -3.443 6.035 6.267 1.00 0.47 C ATOM 425 C ALA A 32 -3.105 7.117 5.253 1.00 0.42 C ATOM 426 O ALA A 32 -3.999 7.747 4.691 1.00 0.45 O ATOM 427 CB ALA A 32 -3.707 4.711 5.563 1.00 0.45 C ATOM 0 H ALA A 32 -5.201 7.119 6.591 1.00 0.55 H new ATOM 0 HA ALA A 32 -2.594 5.900 6.937 1.00 0.47 H new ATOM 0 HB1 ALA A 32 -2.830 4.427 4.981 1.00 0.45 H new ATOM 0 HB2 ALA A 32 -3.915 3.940 6.305 1.00 0.45 H new ATOM 0 HB3 ALA A 32 -4.565 4.817 4.899 1.00 0.45 H new ATOM 433 N LYS A 33 -1.820 7.368 5.066 1.00 0.43 N ATOM 434 CA LYS A 33 -1.369 8.396 4.144 1.00 0.45 C ATOM 435 C LYS A 33 -1.506 7.925 2.700 1.00 0.40 C ATOM 436 O LYS A 33 -2.061 8.629 1.854 1.00 0.43 O ATOM 437 CB LYS A 33 0.087 8.764 4.433 1.00 0.54 C ATOM 438 CG LYS A 33 0.601 9.924 3.598 1.00 1.19 C ATOM 439 CD LYS A 33 -0.052 11.235 3.999 1.00 1.27 C ATOM 440 CE LYS A 33 0.427 12.382 3.127 1.00 1.41 C ATOM 441 NZ LYS A 33 0.100 13.705 3.721 1.00 1.85 N ATOM 0 H LYS A 33 -1.068 6.871 5.543 1.00 0.43 H new ATOM 0 HA LYS A 33 -1.995 9.277 4.284 1.00 0.45 H new ATOM 0 HB2 LYS A 33 0.186 9.016 5.489 1.00 0.54 H new ATOM 0 HB3 LYS A 33 0.716 7.892 4.253 1.00 0.54 H new ATOM 0 HG2 LYS A 33 1.682 10.005 3.713 1.00 1.19 H new ATOM 0 HG3 LYS A 33 0.407 9.728 2.543 1.00 1.19 H new ATOM 0 HD2 LYS A 33 -1.135 11.143 3.919 1.00 1.27 H new ATOM 0 HD3 LYS A 33 0.173 11.451 5.043 1.00 1.27 H new ATOM 0 HE2 LYS A 33 1.505 12.304 2.985 1.00 1.41 H new ATOM 0 HE3 LYS A 33 -0.031 12.304 2.141 1.00 1.41 H new ATOM 0 HZ1 LYS A 33 0.444 14.461 3.095 1.00 1.85 H new ATOM 0 HZ2 LYS A 33 -0.930 13.790 3.833 1.00 1.85 H new ATOM 0 HZ3 LYS A 33 0.558 13.791 4.651 1.00 1.85 H new ATOM 447 N LEU A 34 -0.982 6.742 2.420 1.00 0.36 N ATOM 448 CA LEU A 34 -1.012 6.195 1.069 1.00 0.34 C ATOM 449 C LEU A 34 -1.268 4.697 1.106 1.00 0.32 C ATOM 450 O LEU A 34 -0.669 3.988 1.901 1.00 0.49 O ATOM 451 CB LEU A 34 0.316 6.476 0.363 1.00 0.40 C ATOM 452 CG LEU A 34 0.415 5.954 -1.072 1.00 0.51 C ATOM 453 CD1 LEU A 34 -0.593 6.658 -1.963 1.00 1.06 C ATOM 454 CD2 LEU A 34 1.826 6.135 -1.609 1.00 0.99 C ATOM 0 H LEU A 34 -0.530 6.141 3.109 1.00 0.36 H new ATOM 0 HA LEU A 34 -1.821 6.674 0.519 1.00 0.34 H new ATOM 0 HB2 LEU A 34 0.483 7.553 0.353 1.00 0.40 H new ATOM 0 HB3 LEU A 34 1.121 6.034 0.950 1.00 0.40 H new ATOM 0 HG LEU A 34 0.185 4.889 -1.069 1.00 0.51 H new ATOM 0 HD11 LEU A 34 -0.509 6.275 -2.980 1.00 1.06 H new ATOM 0 HD12 LEU A 34 -1.600 6.475 -1.588 1.00 1.06 H new ATOM 0 HD13 LEU A 34 -0.394 7.730 -1.961 1.00 1.06 H new ATOM 0 HD21 LEU A 34 1.878 5.758 -2.631 1.00 0.99 H new ATOM 0 HD22 LEU A 34 2.086 7.193 -1.599 1.00 0.99 H new ATOM 0 HD23 LEU A 34 2.527 5.583 -0.983 1.00 0.99 H new ATOM 464 N ILE A 35 -2.136 4.215 0.232 1.00 0.26 N ATOM 465 CA ILE A 35 -2.419 2.788 0.162 1.00 0.23 C ATOM 466 C ILE A 35 -1.939 2.212 -1.166 1.00 0.24 C ATOM 467 O ILE A 35 -2.143 2.813 -2.217 1.00 0.31 O ATOM 468 CB ILE A 35 -3.926 2.503 0.338 1.00 0.25 C ATOM 469 CG1 ILE A 35 -4.398 3.009 1.703 1.00 0.25 C ATOM 470 CG2 ILE A 35 -4.213 1.015 0.192 1.00 0.26 C ATOM 471 CD1 ILE A 35 -5.881 2.826 1.944 1.00 0.30 C ATOM 0 H ILE A 35 -2.655 4.785 -0.436 1.00 0.26 H new ATOM 0 HA ILE A 35 -1.881 2.307 0.979 1.00 0.23 H new ATOM 0 HB ILE A 35 -4.474 3.032 -0.442 1.00 0.25 H new ATOM 0 HG12 ILE A 35 -3.846 2.487 2.484 1.00 0.25 H new ATOM 0 HG13 ILE A 35 -4.153 4.067 1.792 1.00 0.25 H new ATOM 0 HG21 ILE A 35 -5.281 0.836 0.320 1.00 0.26 H new ATOM 0 HG22 ILE A 35 -3.905 0.680 -0.799 1.00 0.26 H new ATOM 0 HG23 ILE A 35 -3.659 0.462 0.950 1.00 0.26 H new ATOM 0 HD11 ILE A 35 -6.139 3.208 2.932 1.00 0.30 H new ATOM 0 HD12 ILE A 35 -6.443 3.371 1.186 1.00 0.30 H new ATOM 0 HD13 ILE A 35 -6.131 1.766 1.889 1.00 0.30 H new ATOM 481 N ILE A 36 -1.292 1.058 -1.112 1.00 0.22 N ATOM 482 CA ILE A 36 -0.795 0.396 -2.311 1.00 0.25 C ATOM 483 C ILE A 36 -1.353 -1.020 -2.394 1.00 0.24 C ATOM 484 O ILE A 36 -1.305 -1.769 -1.418 1.00 0.25 O ATOM 485 CB ILE A 36 0.750 0.343 -2.329 1.00 0.29 C ATOM 486 CG1 ILE A 36 1.334 1.754 -2.209 1.00 0.32 C ATOM 487 CG2 ILE A 36 1.251 -0.329 -3.599 1.00 0.34 C ATOM 488 CD1 ILE A 36 2.846 1.783 -2.110 1.00 0.40 C ATOM 0 H ILE A 36 -1.097 0.557 -0.245 1.00 0.22 H new ATOM 0 HA ILE A 36 -1.128 0.975 -3.172 1.00 0.25 H new ATOM 0 HB ILE A 36 1.082 -0.247 -1.474 1.00 0.29 H new ATOM 0 HG12 ILE A 36 1.024 2.340 -3.074 1.00 0.32 H new ATOM 0 HG13 ILE A 36 0.912 2.238 -1.328 1.00 0.32 H new ATOM 0 HG21 ILE A 36 2.341 -0.356 -3.591 1.00 0.34 H new ATOM 0 HG22 ILE A 36 0.864 -1.347 -3.649 1.00 0.34 H new ATOM 0 HG23 ILE A 36 0.908 0.233 -4.468 1.00 0.34 H new ATOM 0 HD11 ILE A 36 3.186 2.816 -2.028 1.00 0.40 H new ATOM 0 HD12 ILE A 36 3.164 1.225 -1.229 1.00 0.40 H new ATOM 0 HD13 ILE A 36 3.278 1.329 -3.002 1.00 0.40 H new ATOM 498 N VAL A 37 -1.909 -1.371 -3.544 1.00 0.25 N ATOM 499 CA VAL A 37 -2.492 -2.693 -3.740 1.00 0.25 C ATOM 500 C VAL A 37 -1.812 -3.413 -4.901 1.00 0.23 C ATOM 501 O VAL A 37 -1.625 -2.839 -5.967 1.00 0.26 O ATOM 502 CB VAL A 37 -4.016 -2.607 -4.006 1.00 0.31 C ATOM 503 CG1 VAL A 37 -4.749 -2.084 -2.781 1.00 0.34 C ATOM 504 CG2 VAL A 37 -4.315 -1.723 -5.209 1.00 0.31 C ATOM 0 H VAL A 37 -1.970 -0.759 -4.358 1.00 0.25 H new ATOM 0 HA VAL A 37 -2.333 -3.258 -2.821 1.00 0.25 H new ATOM 0 HB VAL A 37 -4.370 -3.615 -4.223 1.00 0.31 H new ATOM 0 HG11 VAL A 37 -5.817 -2.032 -2.991 1.00 0.34 H new ATOM 0 HG12 VAL A 37 -4.577 -2.755 -1.940 1.00 0.34 H new ATOM 0 HG13 VAL A 37 -4.379 -1.089 -2.533 1.00 0.34 H new ATOM 0 HG21 VAL A 37 -5.392 -1.682 -5.371 1.00 0.31 H new ATOM 0 HG22 VAL A 37 -3.937 -0.717 -5.025 1.00 0.31 H new ATOM 0 HG23 VAL A 37 -3.830 -2.136 -6.094 1.00 0.31 H new ATOM 514 N ALA A 38 -1.456 -4.673 -4.698 1.00 0.20 N ATOM 515 CA ALA A 38 -0.815 -5.463 -5.745 1.00 0.21 C ATOM 516 C ALA A 38 -1.820 -5.833 -6.829 1.00 0.27 C ATOM 517 O ALA A 38 -2.915 -6.298 -6.524 1.00 0.33 O ATOM 518 CB ALA A 38 -0.195 -6.718 -5.149 1.00 0.26 C ATOM 0 H ALA A 38 -1.599 -5.172 -3.820 1.00 0.20 H new ATOM 0 HA ALA A 38 -0.027 -4.862 -6.199 1.00 0.21 H new ATOM 0 HB1 ALA A 38 0.280 -7.299 -5.939 1.00 0.26 H new ATOM 0 HB2 ALA A 38 0.551 -6.437 -4.406 1.00 0.26 H new ATOM 0 HB3 ALA A 38 -0.972 -7.318 -4.674 1.00 0.26 H new ATOM 524 N ARG A 39 -1.450 -5.634 -8.090 1.00 0.41 N ATOM 525 CA ARG A 39 -2.340 -5.960 -9.204 1.00 0.56 C ATOM 526 C ARG A 39 -2.652 -7.453 -9.229 1.00 0.54 C ATOM 527 O ARG A 39 -3.732 -7.861 -9.650 1.00 0.60 O ATOM 528 CB ARG A 39 -1.749 -5.490 -10.547 1.00 0.77 C ATOM 529 CG ARG A 39 -0.348 -6.003 -10.852 1.00 0.96 C ATOM 530 CD ARG A 39 -0.366 -7.307 -11.638 1.00 1.49 C ATOM 531 NE ARG A 39 0.984 -7.785 -11.950 1.00 2.48 N ATOM 532 CZ ARG A 39 1.832 -7.171 -12.785 1.00 3.10 C ATOM 533 NH1 ARG A 39 1.434 -6.132 -13.510 1.00 3.10 N ATOM 534 NH2 ARG A 39 3.070 -7.626 -12.923 1.00 4.14 N ATOM 0 H ARG A 39 -0.546 -5.251 -8.367 1.00 0.41 H new ATOM 0 HA ARG A 39 -3.277 -5.424 -9.054 1.00 0.56 H new ATOM 0 HB2 ARG A 39 -2.417 -5.804 -11.349 1.00 0.77 H new ATOM 0 HB3 ARG A 39 -1.730 -4.400 -10.556 1.00 0.77 H new ATOM 0 HG2 ARG A 39 0.197 -5.248 -11.418 1.00 0.96 H new ATOM 0 HG3 ARG A 39 0.193 -6.153 -9.917 1.00 0.96 H new ATOM 0 HD2 ARG A 39 -0.895 -8.068 -11.064 1.00 1.49 H new ATOM 0 HD3 ARG A 39 -0.922 -7.163 -12.565 1.00 1.49 H new ATOM 0 HE ARG A 39 1.299 -8.644 -11.500 1.00 2.48 H new ATOM 0 HH11 ARG A 39 0.474 -5.795 -13.434 1.00 3.10 H new ATOM 0 HH12 ARG A 39 2.088 -5.671 -14.143 1.00 3.10 H new ATOM 0 HH21 ARG A 39 3.375 -8.443 -12.394 1.00 4.14 H new ATOM 0 HH22 ARG A 39 3.717 -7.159 -13.559 1.00 4.14 H new ATOM 542 N ASN A 40 -1.718 -8.250 -8.717 1.00 0.55 N ATOM 543 CA ASN A 40 -1.890 -9.700 -8.624 1.00 0.64 C ATOM 544 C ASN A 40 -2.950 -10.068 -7.586 1.00 0.58 C ATOM 545 O ASN A 40 -3.553 -11.139 -7.655 1.00 0.87 O ATOM 546 CB ASN A 40 -0.561 -10.360 -8.253 1.00 0.81 C ATOM 547 CG ASN A 40 -0.624 -11.877 -8.289 1.00 1.57 C ATOM 548 OD1 ASN A 40 -0.818 -12.475 -9.344 1.00 2.18 O ATOM 549 ND2 ASN A 40 -0.462 -12.507 -7.134 1.00 2.33 N ATOM 0 H ASN A 40 -0.825 -7.913 -8.356 1.00 0.55 H new ATOM 0 HA ASN A 40 -2.222 -10.062 -9.597 1.00 0.64 H new ATOM 0 HB2 ASN A 40 0.213 -10.017 -8.939 1.00 0.81 H new ATOM 0 HB3 ASN A 40 -0.267 -10.037 -7.254 1.00 0.81 H new ATOM 0 HD21 ASN A 40 -0.496 -13.526 -7.100 1.00 2.33 H new ATOM 0 HD22 ASN A 40 -0.303 -11.973 -6.280 1.00 2.33 H new ATOM 554 N ALA A 41 -3.130 -9.198 -6.599 1.00 0.46 N ATOM 555 CA ALA A 41 -4.066 -9.440 -5.505 1.00 0.43 C ATOM 556 C ALA A 41 -5.506 -9.541 -6.001 1.00 0.40 C ATOM 557 O ALA A 41 -5.844 -9.034 -7.072 1.00 0.44 O ATOM 558 CB ALA A 41 -3.950 -8.342 -4.458 1.00 0.47 C ATOM 0 H ALA A 41 -2.634 -8.309 -6.533 1.00 0.46 H new ATOM 0 HA ALA A 41 -3.803 -10.397 -5.055 1.00 0.43 H new ATOM 0 HB1 ALA A 41 -4.654 -8.535 -3.648 1.00 0.47 H new ATOM 0 HB2 ALA A 41 -2.935 -8.324 -4.060 1.00 0.47 H new ATOM 0 HB3 ALA A 41 -4.178 -7.379 -4.914 1.00 0.47 H new ATOM 564 N ARG A 42 -6.338 -10.218 -5.213 1.00 0.40 N ATOM 565 CA ARG A 42 -7.751 -10.393 -5.538 1.00 0.43 C ATOM 566 C ARG A 42 -8.436 -9.040 -5.738 1.00 0.44 C ATOM 567 O ARG A 42 -8.236 -8.107 -4.952 1.00 0.42 O ATOM 568 CB ARG A 42 -8.465 -11.175 -4.431 1.00 0.50 C ATOM 569 CG ARG A 42 -8.084 -12.648 -4.350 1.00 0.61 C ATOM 570 CD ARG A 42 -8.590 -13.437 -5.551 1.00 1.23 C ATOM 571 NE ARG A 42 -7.663 -13.390 -6.682 1.00 2.10 N ATOM 572 CZ ARG A 42 -7.935 -13.872 -7.896 1.00 2.98 C ATOM 573 NH1 ARG A 42 -9.113 -14.434 -8.150 1.00 3.25 N ATOM 574 NH2 ARG A 42 -7.021 -13.808 -8.854 1.00 3.98 N ATOM 0 H ARG A 42 -6.054 -10.658 -4.337 1.00 0.40 H new ATOM 0 HA ARG A 42 -7.812 -10.957 -6.469 1.00 0.43 H new ATOM 0 HB2 ARG A 42 -8.248 -10.703 -3.473 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -9.541 -11.099 -4.587 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -7.000 -12.739 -4.288 1.00 0.61 H new ATOM 0 HG3 ARG A 42 -8.493 -13.078 -3.436 1.00 0.61 H new ATOM 0 HD2 ARG A 42 -8.750 -14.475 -5.259 1.00 1.23 H new ATOM 0 HD3 ARG A 42 -9.557 -13.041 -5.861 1.00 1.23 H new ATOM 0 HE ARG A 42 -6.750 -12.961 -6.533 1.00 2.10 H new ATOM 0 HH11 ARG A 42 -9.816 -14.499 -7.414 1.00 3.25 H new ATOM 0 HH12 ARG A 42 -9.313 -14.800 -9.081 1.00 3.25 H new ATOM 0 HH21 ARG A 42 -6.110 -13.390 -8.663 1.00 3.98 H new ATOM 0 HH22 ARG A 42 -7.228 -14.176 -9.782 1.00 3.98 H new ATOM 582 N PRO A 43 -9.236 -8.917 -6.810 1.00 0.50 N ATOM 583 CA PRO A 43 -9.928 -7.670 -7.166 1.00 0.58 C ATOM 584 C PRO A 43 -10.818 -7.151 -6.043 1.00 0.60 C ATOM 585 O PRO A 43 -10.967 -5.943 -5.866 1.00 0.64 O ATOM 586 CB PRO A 43 -10.775 -8.054 -8.389 1.00 0.67 C ATOM 587 CG PRO A 43 -10.787 -9.544 -8.415 1.00 0.86 C ATOM 588 CD PRO A 43 -9.495 -9.976 -7.791 1.00 0.55 C ATOM 0 HA PRO A 43 -9.221 -6.864 -7.361 1.00 0.58 H new ATOM 0 HB2 PRO A 43 -11.786 -7.655 -8.307 1.00 0.67 H new ATOM 0 HB3 PRO A 43 -10.346 -7.649 -9.306 1.00 0.67 H new ATOM 0 HG2 PRO A 43 -11.639 -9.937 -7.861 1.00 0.86 H new ATOM 0 HG3 PRO A 43 -10.871 -9.916 -9.436 1.00 0.86 H new ATOM 0 HD2 PRO A 43 -9.582 -10.954 -7.317 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -8.695 -10.049 -8.528 1.00 0.55 H new ATOM 590 N ASP A 44 -11.428 -8.076 -5.310 1.00 0.61 N ATOM 591 CA ASP A 44 -12.338 -7.738 -4.216 1.00 0.68 C ATOM 592 C ASP A 44 -11.663 -6.817 -3.207 1.00 0.60 C ATOM 593 O ASP A 44 -12.276 -5.882 -2.691 1.00 0.65 O ATOM 594 CB ASP A 44 -12.812 -9.009 -3.502 1.00 0.77 C ATOM 595 CG ASP A 44 -13.539 -9.969 -4.423 1.00 1.62 C ATOM 596 OD1 ASP A 44 -12.937 -10.415 -5.420 1.00 2.48 O ATOM 597 OD2 ASP A 44 -14.721 -10.275 -4.157 1.00 2.04 O ATOM 0 H ASP A 44 -11.308 -9.078 -5.455 1.00 0.61 H new ATOM 0 HA ASP A 44 -13.195 -7.221 -4.647 1.00 0.68 H new ATOM 0 HB2 ASP A 44 -11.952 -9.515 -3.064 1.00 0.77 H new ATOM 0 HB3 ASP A 44 -13.472 -8.733 -2.680 1.00 0.77 H new ATOM 600 N ILE A 45 -10.393 -7.081 -2.943 1.00 0.50 N ATOM 601 CA ILE A 45 -9.620 -6.278 -2.011 1.00 0.44 C ATOM 602 C ILE A 45 -9.313 -4.902 -2.601 1.00 0.40 C ATOM 603 O ILE A 45 -9.519 -3.878 -1.952 1.00 0.38 O ATOM 604 CB ILE A 45 -8.297 -6.990 -1.638 1.00 0.45 C ATOM 605 CG1 ILE A 45 -8.586 -8.332 -0.952 1.00 0.54 C ATOM 606 CG2 ILE A 45 -7.430 -6.110 -0.748 1.00 0.42 C ATOM 607 CD1 ILE A 45 -9.397 -8.213 0.323 1.00 0.62 C ATOM 0 H ILE A 45 -9.874 -7.851 -3.365 1.00 0.50 H new ATOM 0 HA ILE A 45 -10.220 -6.149 -1.110 1.00 0.44 H new ATOM 0 HB ILE A 45 -7.746 -7.180 -2.559 1.00 0.45 H new ATOM 0 HG12 ILE A 45 -9.119 -8.977 -1.650 1.00 0.54 H new ATOM 0 HG13 ILE A 45 -7.640 -8.822 -0.724 1.00 0.54 H new ATOM 0 HG21 ILE A 45 -6.508 -6.637 -0.503 1.00 0.42 H new ATOM 0 HG22 ILE A 45 -7.191 -5.185 -1.273 1.00 0.42 H new ATOM 0 HG23 ILE A 45 -7.970 -5.877 0.170 1.00 0.42 H new ATOM 0 HD11 ILE A 45 -9.558 -9.205 0.746 1.00 0.62 H new ATOM 0 HD12 ILE A 45 -8.857 -7.596 1.041 1.00 0.62 H new ATOM 0 HD13 ILE A 45 -10.360 -7.753 0.100 1.00 0.62 H new ATOM 617 N LYS A 46 -8.797 -4.893 -3.824 1.00 0.45 N ATOM 618 CA LYS A 46 -8.383 -3.654 -4.476 1.00 0.50 C ATOM 619 C LYS A 46 -9.556 -2.699 -4.695 1.00 0.52 C ATOM 620 O LYS A 46 -9.439 -1.494 -4.457 1.00 0.51 O ATOM 621 CB LYS A 46 -7.709 -3.957 -5.814 1.00 0.58 C ATOM 622 CG LYS A 46 -6.487 -4.857 -5.696 1.00 0.59 C ATOM 623 CD LYS A 46 -5.694 -4.901 -6.995 1.00 0.74 C ATOM 624 CE LYS A 46 -6.510 -5.474 -8.144 1.00 1.09 C ATOM 625 NZ LYS A 46 -5.742 -5.486 -9.419 1.00 1.59 N ATOM 0 H LYS A 46 -8.654 -5.732 -4.387 1.00 0.45 H new ATOM 0 HA LYS A 46 -7.673 -3.163 -3.810 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -8.434 -4.429 -6.477 1.00 0.58 H new ATOM 0 HB3 LYS A 46 -7.413 -3.018 -6.282 1.00 0.58 H new ATOM 0 HG2 LYS A 46 -5.847 -4.498 -4.890 1.00 0.59 H new ATOM 0 HG3 LYS A 46 -6.802 -5.865 -5.427 1.00 0.59 H new ATOM 0 HD2 LYS A 46 -5.364 -3.895 -7.252 1.00 0.74 H new ATOM 0 HD3 LYS A 46 -4.797 -5.504 -6.852 1.00 0.74 H new ATOM 0 HE2 LYS A 46 -6.820 -6.489 -7.898 1.00 1.09 H new ATOM 0 HE3 LYS A 46 -7.418 -4.885 -8.273 1.00 1.09 H new ATOM 0 HZ1 LYS A 46 -6.403 -5.502 -10.222 1.00 1.59 H new ATOM 0 HZ2 LYS A 46 -5.149 -4.634 -9.475 1.00 1.59 H new ATOM 0 HZ3 LYS A 46 -5.137 -6.331 -9.452 1.00 1.59 H new ATOM 631 N GLU A 47 -10.662 -3.227 -5.208 1.00 0.59 N ATOM 632 CA GLU A 47 -11.824 -2.406 -5.531 1.00 0.65 C ATOM 633 C GLU A 47 -12.419 -1.762 -4.285 1.00 0.55 C ATOM 634 O GLU A 47 -12.727 -0.568 -4.281 1.00 0.55 O ATOM 635 CB GLU A 47 -12.890 -3.241 -6.244 1.00 0.79 C ATOM 636 CG GLU A 47 -12.801 -3.211 -7.765 1.00 1.15 C ATOM 637 CD GLU A 47 -11.495 -3.753 -8.310 1.00 1.76 C ATOM 638 OE1 GLU A 47 -10.462 -3.068 -8.165 1.00 2.60 O ATOM 639 OE2 GLU A 47 -11.491 -4.866 -8.874 1.00 2.06 O ATOM 0 H GLU A 47 -10.779 -4.220 -5.409 1.00 0.59 H new ATOM 0 HA GLU A 47 -11.487 -1.611 -6.196 1.00 0.65 H new ATOM 0 HB2 GLU A 47 -12.809 -4.275 -5.908 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -13.875 -2.884 -5.943 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -13.626 -3.790 -8.180 1.00 1.15 H new ATOM 0 HG3 GLU A 47 -12.929 -2.184 -8.107 1.00 1.15 H new ATOM 642 N ASP A 48 -12.594 -2.556 -3.237 1.00 0.50 N ATOM 643 CA ASP A 48 -13.180 -2.061 -1.997 1.00 0.47 C ATOM 644 C ASP A 48 -12.322 -0.964 -1.383 1.00 0.35 C ATOM 645 O ASP A 48 -12.836 0.077 -0.973 1.00 0.36 O ATOM 646 CB ASP A 48 -13.374 -3.197 -0.992 1.00 0.55 C ATOM 647 CG ASP A 48 -14.751 -3.829 -1.081 1.00 0.62 C ATOM 648 OD1 ASP A 48 -15.178 -4.171 -2.205 1.00 1.21 O ATOM 649 OD2 ASP A 48 -15.427 -3.958 -0.037 1.00 1.00 O ATOM 0 H ASP A 48 -12.339 -3.544 -3.220 1.00 0.50 H new ATOM 0 HA ASP A 48 -14.155 -1.640 -2.241 1.00 0.47 H new ATOM 0 HB2 ASP A 48 -12.616 -3.961 -1.163 1.00 0.55 H new ATOM 0 HB3 ASP A 48 -13.219 -2.815 0.017 1.00 0.55 H new ATOM 652 N ILE A 49 -11.013 -1.184 -1.352 1.00 0.29 N ATOM 653 CA ILE A 49 -10.093 -0.206 -0.785 1.00 0.24 C ATOM 654 C ILE A 49 -10.172 1.127 -1.523 1.00 0.26 C ATOM 655 O ILE A 49 -10.339 2.167 -0.896 1.00 0.26 O ATOM 656 CB ILE A 49 -8.638 -0.723 -0.787 1.00 0.24 C ATOM 657 CG1 ILE A 49 -8.508 -1.904 0.172 1.00 0.30 C ATOM 658 CG2 ILE A 49 -7.668 0.385 -0.398 1.00 0.35 C ATOM 659 CD1 ILE A 49 -7.128 -2.517 0.201 1.00 0.36 C ATOM 0 H ILE A 49 -10.566 -2.028 -1.711 1.00 0.29 H new ATOM 0 HA ILE A 49 -10.400 -0.050 0.249 1.00 0.24 H new ATOM 0 HB ILE A 49 -8.387 -1.052 -1.795 1.00 0.24 H new ATOM 0 HG12 ILE A 49 -8.770 -1.574 1.177 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -9.230 -2.670 -0.110 1.00 0.30 H new ATOM 0 HG21 ILE A 49 -6.650 -0.003 -0.407 1.00 0.35 H new ATOM 0 HG22 ILE A 49 -7.749 1.206 -1.110 1.00 0.35 H new ATOM 0 HG23 ILE A 49 -7.910 0.746 0.601 1.00 0.35 H new ATOM 0 HD11 ILE A 49 -7.114 -3.349 0.905 1.00 0.36 H new ATOM 0 HD12 ILE A 49 -6.870 -2.879 -0.794 1.00 0.36 H new ATOM 0 HD13 ILE A 49 -6.403 -1.766 0.513 1.00 0.36 H new ATOM 669 N GLU A 50 -10.134 1.082 -2.851 1.00 0.31 N ATOM 670 CA GLU A 50 -10.251 2.293 -3.664 1.00 0.39 C ATOM 671 C GLU A 50 -11.565 3.022 -3.388 1.00 0.43 C ATOM 672 O GLU A 50 -11.605 4.253 -3.329 1.00 0.48 O ATOM 673 CB GLU A 50 -10.157 1.949 -5.153 1.00 0.46 C ATOM 674 CG GLU A 50 -8.749 2.034 -5.725 1.00 0.61 C ATOM 675 CD GLU A 50 -8.255 3.464 -5.876 1.00 1.15 C ATOM 676 OE1 GLU A 50 -8.918 4.390 -5.370 1.00 1.67 O ATOM 677 OE2 GLU A 50 -7.198 3.670 -6.513 1.00 1.57 O ATOM 0 H GLU A 50 -10.023 0.222 -3.389 1.00 0.31 H new ATOM 0 HA GLU A 50 -9.427 2.953 -3.393 1.00 0.39 H new ATOM 0 HB2 GLU A 50 -10.539 0.940 -5.306 1.00 0.46 H new ATOM 0 HB3 GLU A 50 -10.806 2.624 -5.712 1.00 0.46 H new ATOM 0 HG2 GLU A 50 -8.066 1.486 -5.077 1.00 0.61 H new ATOM 0 HG3 GLU A 50 -8.728 1.543 -6.698 1.00 0.61 H new ATOM 680 N TYR A 51 -12.628 2.252 -3.194 1.00 0.44 N ATOM 681 CA TYR A 51 -13.947 2.811 -2.943 1.00 0.52 C ATOM 682 C TYR A 51 -13.975 3.572 -1.624 1.00 0.47 C ATOM 683 O TYR A 51 -14.366 4.739 -1.577 1.00 0.51 O ATOM 684 CB TYR A 51 -14.995 1.692 -2.920 1.00 0.61 C ATOM 685 CG TYR A 51 -16.393 2.168 -2.603 1.00 0.70 C ATOM 686 CD1 TYR A 51 -16.997 3.153 -3.373 1.00 0.78 C ATOM 687 CD2 TYR A 51 -17.110 1.628 -1.545 1.00 0.77 C ATOM 688 CE1 TYR A 51 -18.274 3.592 -3.091 1.00 0.88 C ATOM 689 CE2 TYR A 51 -18.388 2.060 -1.258 1.00 0.87 C ATOM 690 CZ TYR A 51 -18.960 3.044 -2.009 1.00 0.91 C ATOM 691 OH TYR A 51 -20.244 3.471 -1.748 1.00 1.03 O ATOM 0 H TYR A 51 -12.600 1.232 -3.206 1.00 0.44 H new ATOM 0 HA TYR A 51 -14.180 3.509 -3.747 1.00 0.52 H new ATOM 0 HB2 TYR A 51 -15.002 1.195 -3.890 1.00 0.61 H new ATOM 0 HB3 TYR A 51 -14.700 0.946 -2.182 1.00 0.61 H new ATOM 0 HD1 TYR A 51 -16.459 3.582 -4.205 1.00 0.78 H new ATOM 0 HD2 TYR A 51 -16.660 0.857 -0.937 1.00 0.77 H new ATOM 0 HE1 TYR A 51 -18.737 4.352 -3.702 1.00 0.88 H new ATOM 0 HE2 TYR A 51 -18.936 1.619 -0.438 1.00 0.87 H new ATOM 0 HH TYR A 51 -20.593 2.998 -0.964 1.00 1.03 H new ATOM 699 N TYR A 52 -13.535 2.910 -0.568 1.00 0.43 N ATOM 700 CA TYR A 52 -13.529 3.500 0.762 1.00 0.42 C ATOM 701 C TYR A 52 -12.518 4.636 0.865 1.00 0.38 C ATOM 702 O TYR A 52 -12.793 5.673 1.475 1.00 0.41 O ATOM 703 CB TYR A 52 -13.217 2.429 1.805 1.00 0.47 C ATOM 704 CG TYR A 52 -14.321 1.410 1.984 1.00 0.53 C ATOM 705 CD1 TYR A 52 -15.579 1.791 2.428 1.00 0.97 C ATOM 706 CD2 TYR A 52 -14.104 0.064 1.707 1.00 0.81 C ATOM 707 CE1 TYR A 52 -16.590 0.865 2.595 1.00 1.09 C ATOM 708 CE2 TYR A 52 -15.112 -0.867 1.869 1.00 0.89 C ATOM 709 CZ TYR A 52 -16.349 -0.465 2.312 1.00 0.84 C ATOM 710 OH TYR A 52 -17.357 -1.389 2.477 1.00 0.97 O ATOM 0 H TYR A 52 -13.174 1.957 -0.606 1.00 0.43 H new ATOM 0 HA TYR A 52 -14.519 3.915 0.950 1.00 0.42 H new ATOM 0 HB2 TYR A 52 -12.301 1.912 1.518 1.00 0.47 H new ATOM 0 HB3 TYR A 52 -13.023 2.913 2.762 1.00 0.47 H new ATOM 0 HD1 TYR A 52 -15.771 2.831 2.647 1.00 0.97 H new ATOM 0 HD2 TYR A 52 -13.133 -0.258 1.360 1.00 0.81 H new ATOM 0 HE1 TYR A 52 -17.562 1.179 2.945 1.00 1.09 H new ATOM 0 HE2 TYR A 52 -14.928 -1.908 1.648 1.00 0.89 H new ATOM 0 HH TYR A 52 -17.027 -2.279 2.235 1.00 0.97 H new ATOM 718 N ALA A 53 -11.339 4.418 0.297 1.00 0.33 N ATOM 719 CA ALA A 53 -10.259 5.390 0.362 1.00 0.34 C ATOM 720 C ALA A 53 -10.614 6.672 -0.374 1.00 0.39 C ATOM 721 O ALA A 53 -10.265 7.760 0.072 1.00 0.42 O ATOM 722 CB ALA A 53 -8.977 4.796 -0.197 1.00 0.34 C ATOM 0 H ALA A 53 -11.107 3.569 -0.218 1.00 0.33 H new ATOM 0 HA ALA A 53 -10.104 5.643 1.411 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -8.179 5.536 -0.141 1.00 0.34 H new ATOM 0 HB2 ALA A 53 -8.699 3.917 0.385 1.00 0.34 H new ATOM 0 HB3 ALA A 53 -9.133 4.508 -1.237 1.00 0.34 H new ATOM 728 N ARG A 54 -11.275 6.551 -1.517 1.00 0.42 N ATOM 729 CA ARG A 54 -11.636 7.730 -2.295 1.00 0.50 C ATOM 730 C ARG A 54 -12.595 8.616 -1.505 1.00 0.51 C ATOM 731 O ARG A 54 -12.481 9.842 -1.517 1.00 0.55 O ATOM 732 CB ARG A 54 -12.276 7.329 -3.623 1.00 0.57 C ATOM 733 CG ARG A 54 -12.245 8.432 -4.668 1.00 1.11 C ATOM 734 CD ARG A 54 -10.817 8.752 -5.080 1.00 1.37 C ATOM 735 NE ARG A 54 -10.152 7.589 -5.661 1.00 2.13 N ATOM 736 CZ ARG A 54 -10.362 7.153 -6.904 1.00 3.01 C ATOM 737 NH1 ARG A 54 -11.017 7.911 -7.776 1.00 3.33 N ATOM 738 NH2 ARG A 54 -9.883 5.980 -7.287 1.00 4.04 N ATOM 0 H ARG A 54 -11.569 5.662 -1.923 1.00 0.42 H new ATOM 0 HA ARG A 54 -10.724 8.289 -2.503 1.00 0.50 H new ATOM 0 HB2 ARG A 54 -11.760 6.453 -4.016 1.00 0.57 H new ATOM 0 HB3 ARG A 54 -13.311 7.037 -3.445 1.00 0.57 H new ATOM 0 HG2 ARG A 54 -12.820 8.126 -5.542 1.00 1.11 H new ATOM 0 HG3 ARG A 54 -12.722 9.328 -4.271 1.00 1.11 H new ATOM 0 HD2 ARG A 54 -10.820 9.568 -5.802 1.00 1.37 H new ATOM 0 HD3 ARG A 54 -10.256 9.097 -4.212 1.00 1.37 H new ATOM 0 HE ARG A 54 -9.486 7.079 -5.081 1.00 2.13 H new ATOM 0 HH11 ARG A 54 -11.361 8.829 -7.496 1.00 3.33 H new ATOM 0 HH12 ARG A 54 -11.176 7.575 -8.726 1.00 3.33 H new ATOM 0 HH21 ARG A 54 -9.352 5.407 -6.631 1.00 4.04 H new ATOM 0 HH22 ARG A 54 -10.045 5.649 -8.238 1.00 4.04 H new ATOM 746 N LEU A 55 -13.528 7.978 -0.803 1.00 0.50 N ATOM 747 CA LEU A 55 -14.520 8.689 -0.006 1.00 0.55 C ATOM 748 C LEU A 55 -13.863 9.426 1.157 1.00 0.55 C ATOM 749 O LEU A 55 -14.179 10.588 1.424 1.00 0.61 O ATOM 750 CB LEU A 55 -15.568 7.711 0.529 1.00 0.61 C ATOM 751 CG LEU A 55 -16.268 6.866 -0.536 1.00 0.86 C ATOM 752 CD1 LEU A 55 -17.247 5.895 0.105 1.00 1.31 C ATOM 753 CD2 LEU A 55 -16.978 7.755 -1.545 1.00 1.37 C ATOM 0 H LEU A 55 -13.617 6.962 -0.771 1.00 0.50 H new ATOM 0 HA LEU A 55 -15.006 9.422 -0.650 1.00 0.55 H new ATOM 0 HB2 LEU A 55 -15.088 7.043 1.244 1.00 0.61 H new ATOM 0 HB3 LEU A 55 -16.323 8.275 1.077 1.00 0.61 H new ATOM 0 HG LEU A 55 -15.510 6.287 -1.064 1.00 0.86 H new ATOM 0 HD11 LEU A 55 -17.734 5.304 -0.671 1.00 1.31 H new ATOM 0 HD12 LEU A 55 -16.710 5.232 0.783 1.00 1.31 H new ATOM 0 HD13 LEU A 55 -18.000 6.452 0.663 1.00 1.31 H new ATOM 0 HD21 LEU A 55 -17.470 7.134 -2.294 1.00 1.37 H new ATOM 0 HD22 LEU A 55 -17.723 8.364 -1.033 1.00 1.37 H new ATOM 0 HD23 LEU A 55 -16.251 8.405 -2.032 1.00 1.37 H new ATOM 763 N SER A 56 -12.962 8.743 1.854 1.00 0.52 N ATOM 764 CA SER A 56 -12.262 9.339 2.986 1.00 0.58 C ATOM 765 C SER A 56 -11.252 10.385 2.513 1.00 0.62 C ATOM 766 O SER A 56 -11.198 11.501 3.036 1.00 1.17 O ATOM 767 CB SER A 56 -11.570 8.248 3.809 1.00 0.56 C ATOM 768 OG SER A 56 -10.882 7.332 2.974 1.00 1.28 O ATOM 0 H SER A 56 -12.699 7.778 1.656 1.00 0.52 H new ATOM 0 HA SER A 56 -12.992 9.843 3.619 1.00 0.58 H new ATOM 0 HB2 SER A 56 -10.868 8.705 4.506 1.00 0.56 H new ATOM 0 HB3 SER A 56 -12.310 7.715 4.405 1.00 0.56 H new ATOM 0 HG SER A 56 -10.820 6.463 3.423 1.00 1.28 H new ATOM 772 N GLY A 57 -10.491 10.037 1.491 1.00 0.48 N ATOM 773 CA GLY A 57 -9.522 10.956 0.936 1.00 0.45 C ATOM 774 C GLY A 57 -8.121 10.389 0.957 1.00 0.35 C ATOM 775 O GLY A 57 -7.151 11.115 1.170 1.00 0.47 O ATOM 0 H GLY A 57 -10.527 9.127 1.032 1.00 0.48 H new ATOM 0 HA2 GLY A 57 -9.799 11.198 -0.090 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -9.543 11.888 1.500 1.00 0.45 H new ATOM 779 N ILE A 58 -8.017 9.089 0.728 1.00 0.36 N ATOM 780 CA ILE A 58 -6.730 8.413 0.703 1.00 0.31 C ATOM 781 C ILE A 58 -6.422 7.903 -0.703 1.00 0.32 C ATOM 782 O ILE A 58 -7.212 7.159 -1.289 1.00 0.33 O ATOM 783 CB ILE A 58 -6.704 7.222 1.685 1.00 0.28 C ATOM 784 CG1 ILE A 58 -7.121 7.672 3.089 1.00 0.30 C ATOM 785 CG2 ILE A 58 -5.320 6.589 1.717 1.00 0.28 C ATOM 786 CD1 ILE A 58 -7.186 6.540 4.092 1.00 0.35 C ATOM 0 H ILE A 58 -8.815 8.478 0.556 1.00 0.36 H new ATOM 0 HA ILE A 58 -5.975 9.138 1.006 1.00 0.31 H new ATOM 0 HB ILE A 58 -7.418 6.475 1.338 1.00 0.28 H new ATOM 0 HG12 ILE A 58 -6.416 8.423 3.446 1.00 0.30 H new ATOM 0 HG13 ILE A 58 -8.097 8.153 3.033 1.00 0.30 H new ATOM 0 HG21 ILE A 58 -5.319 5.751 2.414 1.00 0.28 H new ATOM 0 HG22 ILE A 58 -5.060 6.232 0.720 1.00 0.28 H new ATOM 0 HG23 ILE A 58 -4.588 7.330 2.039 1.00 0.28 H new ATOM 0 HD11 ILE A 58 -7.487 6.932 5.064 1.00 0.35 H new ATOM 0 HD12 ILE A 58 -7.913 5.799 3.758 1.00 0.35 H new ATOM 0 HD13 ILE A 58 -6.205 6.073 4.178 1.00 0.35 H new ATOM 796 N PRO A 59 -5.267 8.288 -1.263 1.00 0.35 N ATOM 797 CA PRO A 59 -4.842 7.841 -2.587 1.00 0.39 C ATOM 798 C PRO A 59 -4.406 6.379 -2.574 1.00 0.36 C ATOM 799 O PRO A 59 -3.678 5.942 -1.675 1.00 0.37 O ATOM 800 CB PRO A 59 -3.650 8.750 -2.927 1.00 0.45 C ATOM 801 CG PRO A 59 -3.597 9.780 -1.841 1.00 0.46 C ATOM 802 CD PRO A 59 -4.267 9.167 -0.648 1.00 0.41 C ATOM 0 HA PRO A 59 -5.651 7.905 -3.315 1.00 0.39 H new ATOM 0 HB2 PRO A 59 -2.723 8.179 -2.969 1.00 0.45 H new ATOM 0 HB3 PRO A 59 -3.781 9.218 -3.903 1.00 0.45 H new ATOM 0 HG2 PRO A 59 -2.566 10.051 -1.612 1.00 0.46 H new ATOM 0 HG3 PRO A 59 -4.106 10.694 -2.146 1.00 0.46 H new ATOM 0 HD2 PRO A 59 -3.563 8.611 -0.029 1.00 0.41 H new ATOM 0 HD3 PRO A 59 -4.727 9.921 -0.009 1.00 0.41 H new ATOM 804 N VAL A 60 -4.841 5.629 -3.573 1.00 0.36 N ATOM 805 CA VAL A 60 -4.453 4.236 -3.698 1.00 0.33 C ATOM 806 C VAL A 60 -3.650 4.027 -4.976 1.00 0.39 C ATOM 807 O VAL A 60 -4.051 4.471 -6.052 1.00 0.50 O ATOM 808 CB VAL A 60 -5.676 3.293 -3.698 1.00 0.36 C ATOM 809 CG1 VAL A 60 -5.243 1.835 -3.784 1.00 0.36 C ATOM 810 CG2 VAL A 60 -6.533 3.519 -2.462 1.00 0.39 C ATOM 0 H VAL A 60 -5.463 5.963 -4.309 1.00 0.36 H new ATOM 0 HA VAL A 60 -3.840 3.992 -2.831 1.00 0.33 H new ATOM 0 HB VAL A 60 -6.274 3.524 -4.580 1.00 0.36 H new ATOM 0 HG11 VAL A 60 -6.124 1.193 -3.782 1.00 0.36 H new ATOM 0 HG12 VAL A 60 -4.680 1.676 -4.704 1.00 0.36 H new ATOM 0 HG13 VAL A 60 -4.615 1.591 -2.928 1.00 0.36 H new ATOM 0 HG21 VAL A 60 -7.388 2.844 -2.484 1.00 0.39 H new ATOM 0 HG22 VAL A 60 -5.940 3.325 -1.568 1.00 0.39 H new ATOM 0 HG23 VAL A 60 -6.885 4.550 -2.447 1.00 0.39 H new ATOM 820 N TYR A 61 -2.499 3.393 -4.843 1.00 0.35 N ATOM 821 CA TYR A 61 -1.629 3.138 -5.974 1.00 0.41 C ATOM 822 C TYR A 61 -1.727 1.680 -6.402 1.00 0.39 C ATOM 823 O TYR A 61 -1.562 0.774 -5.579 1.00 0.32 O ATOM 824 CB TYR A 61 -0.177 3.481 -5.621 1.00 0.46 C ATOM 825 CG TYR A 61 0.794 3.263 -6.763 1.00 0.53 C ATOM 826 CD1 TYR A 61 0.564 3.830 -8.009 1.00 0.63 C ATOM 827 CD2 TYR A 61 1.932 2.481 -6.598 1.00 0.56 C ATOM 828 CE1 TYR A 61 1.437 3.628 -9.059 1.00 0.73 C ATOM 829 CE2 TYR A 61 2.812 2.275 -7.644 1.00 0.65 C ATOM 830 CZ TYR A 61 2.559 2.851 -8.870 1.00 0.72 C ATOM 831 OH TYR A 61 3.430 2.652 -9.915 1.00 0.83 O ATOM 0 H TYR A 61 -2.144 3.043 -3.953 1.00 0.35 H new ATOM 0 HA TYR A 61 -1.950 3.771 -6.802 1.00 0.41 H new ATOM 0 HB2 TYR A 61 -0.125 4.523 -5.306 1.00 0.46 H new ATOM 0 HB3 TYR A 61 0.134 2.875 -4.770 1.00 0.46 H new ATOM 0 HD1 TYR A 61 -0.314 4.440 -8.160 1.00 0.63 H new ATOM 0 HD2 TYR A 61 2.131 2.028 -5.638 1.00 0.56 H new ATOM 0 HE1 TYR A 61 1.242 4.076 -10.022 1.00 0.73 H new ATOM 0 HE2 TYR A 61 3.693 1.666 -7.501 1.00 0.65 H new ATOM 0 HH TYR A 61 4.171 2.083 -9.619 1.00 0.83 H new ATOM 839 N GLU A 62 -1.932 1.457 -7.690 1.00 0.49 N ATOM 840 CA GLU A 62 -1.939 0.110 -8.227 1.00 0.52 C ATOM 841 C GLU A 62 -0.505 -0.371 -8.399 1.00 0.50 C ATOM 842 O GLU A 62 0.228 0.122 -9.257 1.00 0.59 O ATOM 843 CB GLU A 62 -2.676 0.061 -9.571 1.00 0.68 C ATOM 844 CG GLU A 62 -2.862 -1.349 -10.123 1.00 1.24 C ATOM 845 CD GLU A 62 -3.944 -2.138 -9.404 1.00 1.83 C ATOM 846 OE1 GLU A 62 -4.640 -1.558 -8.545 1.00 2.47 O ATOM 847 OE2 GLU A 62 -4.125 -3.334 -9.723 1.00 2.35 O ATOM 0 H GLU A 62 -2.095 2.190 -8.380 1.00 0.49 H new ATOM 0 HA GLU A 62 -2.464 -0.544 -7.530 1.00 0.52 H new ATOM 0 HB2 GLU A 62 -3.654 0.527 -9.455 1.00 0.68 H new ATOM 0 HB3 GLU A 62 -2.124 0.656 -10.299 1.00 0.68 H new ATOM 0 HG2 GLU A 62 -3.110 -1.287 -11.182 1.00 1.24 H new ATOM 0 HG3 GLU A 62 -1.918 -1.889 -10.048 1.00 1.24 H new ATOM 850 N PHE A 63 -0.110 -1.325 -7.580 1.00 0.42 N ATOM 851 CA PHE A 63 1.215 -1.904 -7.665 1.00 0.41 C ATOM 852 C PHE A 63 1.292 -2.808 -8.880 1.00 0.44 C ATOM 853 O PHE A 63 0.658 -3.863 -8.911 1.00 0.42 O ATOM 854 CB PHE A 63 1.529 -2.706 -6.400 1.00 0.41 C ATOM 855 CG PHE A 63 2.895 -3.333 -6.397 1.00 0.39 C ATOM 856 CD1 PHE A 63 4.018 -2.587 -6.719 1.00 0.60 C ATOM 857 CD2 PHE A 63 3.053 -4.672 -6.088 1.00 0.43 C ATOM 858 CE1 PHE A 63 5.271 -3.168 -6.731 1.00 0.67 C ATOM 859 CE2 PHE A 63 4.303 -5.256 -6.096 1.00 0.47 C ATOM 860 CZ PHE A 63 5.425 -4.478 -6.364 1.00 0.53 C ATOM 0 H PHE A 63 -0.694 -1.718 -6.842 1.00 0.42 H new ATOM 0 HA PHE A 63 1.948 -1.103 -7.758 1.00 0.41 H new ATOM 0 HB2 PHE A 63 1.440 -2.049 -5.534 1.00 0.41 H new ATOM 0 HB3 PHE A 63 0.780 -3.490 -6.284 1.00 0.41 H new ATOM 0 HD1 PHE A 63 3.912 -1.540 -6.963 1.00 0.60 H new ATOM 0 HD2 PHE A 63 2.188 -5.267 -5.837 1.00 0.43 H new ATOM 0 HE1 PHE A 63 6.131 -2.588 -7.031 1.00 0.67 H new ATOM 0 HE2 PHE A 63 4.410 -6.312 -5.895 1.00 0.47 H new ATOM 0 HZ PHE A 63 6.413 -4.906 -6.283 1.00 0.53 H new ATOM 868 N GLU A 64 2.073 -2.396 -9.869 1.00 0.61 N ATOM 869 CA GLU A 64 2.244 -3.172 -11.090 1.00 0.70 C ATOM 870 C GLU A 64 3.156 -4.371 -10.838 1.00 0.62 C ATOM 871 O GLU A 64 4.199 -4.528 -11.480 1.00 0.89 O ATOM 872 CB GLU A 64 2.808 -2.296 -12.207 1.00 0.97 C ATOM 873 CG GLU A 64 1.939 -1.088 -12.526 1.00 1.61 C ATOM 874 CD GLU A 64 2.373 -0.366 -13.785 1.00 1.90 C ATOM 875 OE1 GLU A 64 3.525 0.112 -13.833 1.00 2.08 O ATOM 876 OE2 GLU A 64 1.565 -0.260 -14.734 1.00 2.46 O ATOM 0 H GLU A 64 2.601 -1.524 -9.849 1.00 0.61 H new ATOM 0 HA GLU A 64 1.267 -3.541 -11.403 1.00 0.70 H new ATOM 0 HB2 GLU A 64 3.803 -1.953 -11.923 1.00 0.97 H new ATOM 0 HB3 GLU A 64 2.924 -2.899 -13.108 1.00 0.97 H new ATOM 0 HG2 GLU A 64 0.904 -1.411 -12.637 1.00 1.61 H new ATOM 0 HG3 GLU A 64 1.969 -0.394 -11.686 1.00 1.61 H new ATOM 879 N GLY A 65 2.770 -5.188 -9.872 1.00 0.62 N ATOM 880 CA GLY A 65 3.548 -6.345 -9.507 1.00 0.64 C ATOM 881 C GLY A 65 2.728 -7.360 -8.739 1.00 0.62 C ATOM 882 O GLY A 65 1.521 -7.183 -8.547 1.00 0.82 O ATOM 0 H GLY A 65 1.916 -5.064 -9.328 1.00 0.62 H new ATOM 0 HA2 GLY A 65 3.950 -6.810 -10.407 1.00 0.64 H new ATOM 0 HA3 GLY A 65 4.399 -6.033 -8.901 1.00 0.64 H new ATOM 886 N THR A 66 3.376 -8.432 -8.330 1.00 0.63 N ATOM 887 CA THR A 66 2.710 -9.513 -7.623 1.00 0.67 C ATOM 888 C THR A 66 2.705 -9.286 -6.116 1.00 0.60 C ATOM 889 O THR A 66 3.639 -8.713 -5.552 1.00 0.56 O ATOM 890 CB THR A 66 3.341 -10.886 -7.946 1.00 0.83 C ATOM 891 OG1 THR A 66 2.785 -11.900 -7.095 1.00 1.53 O ATOM 892 CG2 THR A 66 4.853 -10.856 -7.788 1.00 1.42 C ATOM 0 H THR A 66 4.374 -8.580 -8.476 1.00 0.63 H new ATOM 0 HA THR A 66 1.678 -9.518 -7.974 1.00 0.67 H new ATOM 0 HB THR A 66 3.113 -11.118 -8.986 1.00 0.83 H new ATOM 0 HG1 THR A 66 3.191 -12.766 -7.310 1.00 1.53 H new ATOM 0 HG21 THR A 66 5.263 -11.838 -8.023 1.00 1.42 H new ATOM 0 HG22 THR A 66 5.275 -10.115 -8.467 1.00 1.42 H new ATOM 0 HG23 THR A 66 5.106 -10.594 -6.761 1.00 1.42 H new ATOM 900 N SER A 67 1.652 -9.776 -5.477 1.00 0.61 N ATOM 901 CA SER A 67 1.496 -9.693 -4.039 1.00 0.58 C ATOM 902 C SER A 67 2.591 -10.473 -3.313 1.00 0.56 C ATOM 903 O SER A 67 2.971 -10.133 -2.193 1.00 0.54 O ATOM 904 CB SER A 67 0.115 -10.228 -3.673 1.00 0.67 C ATOM 905 OG SER A 67 -0.326 -11.161 -4.648 1.00 1.25 O ATOM 0 H SER A 67 0.879 -10.245 -5.949 1.00 0.61 H new ATOM 0 HA SER A 67 1.588 -8.653 -3.725 1.00 0.58 H new ATOM 0 HB2 SER A 67 0.150 -10.705 -2.693 1.00 0.67 H new ATOM 0 HB3 SER A 67 -0.595 -9.404 -3.601 1.00 0.67 H new ATOM 0 HG SER A 67 -1.055 -10.767 -5.171 1.00 1.25 H new ATOM 909 N VAL A 68 3.108 -11.512 -3.965 1.00 0.64 N ATOM 910 CA VAL A 68 4.179 -12.322 -3.393 1.00 0.67 C ATOM 911 C VAL A 68 5.440 -11.481 -3.222 1.00 0.58 C ATOM 912 O VAL A 68 5.998 -11.377 -2.123 1.00 0.59 O ATOM 913 CB VAL A 68 4.512 -13.536 -4.287 1.00 0.79 C ATOM 914 CG1 VAL A 68 5.441 -14.497 -3.565 1.00 0.84 C ATOM 915 CG2 VAL A 68 3.245 -14.245 -4.734 1.00 0.97 C ATOM 0 H VAL A 68 2.802 -11.812 -4.890 1.00 0.64 H new ATOM 0 HA VAL A 68 3.831 -12.683 -2.425 1.00 0.67 H new ATOM 0 HB VAL A 68 5.025 -13.170 -5.176 1.00 0.79 H new ATOM 0 HG11 VAL A 68 5.663 -15.345 -4.213 1.00 0.84 H new ATOM 0 HG12 VAL A 68 6.368 -13.984 -3.309 1.00 0.84 H new ATOM 0 HG13 VAL A 68 4.960 -14.853 -2.654 1.00 0.84 H new ATOM 0 HG21 VAL A 68 3.507 -15.096 -5.362 1.00 0.97 H new ATOM 0 HG22 VAL A 68 2.696 -14.595 -3.860 1.00 0.97 H new ATOM 0 HG23 VAL A 68 2.622 -13.553 -5.301 1.00 0.97 H new ATOM 925 N GLU A 69 5.842 -10.833 -4.311 1.00 0.57 N ATOM 926 CA GLU A 69 7.008 -9.962 -4.310 1.00 0.55 C ATOM 927 C GLU A 69 6.789 -8.773 -3.390 1.00 0.48 C ATOM 928 O GLU A 69 7.677 -8.397 -2.629 1.00 0.52 O ATOM 929 CB GLU A 69 7.302 -9.486 -5.731 1.00 0.65 C ATOM 930 CG GLU A 69 8.539 -8.616 -5.852 1.00 1.35 C ATOM 931 CD GLU A 69 8.844 -8.256 -7.290 1.00 1.73 C ATOM 932 OE1 GLU A 69 9.131 -9.169 -8.089 1.00 1.82 O ATOM 933 OE2 GLU A 69 8.814 -7.052 -7.625 1.00 2.65 O ATOM 0 H GLU A 69 5.370 -10.897 -5.213 1.00 0.57 H new ATOM 0 HA GLU A 69 7.864 -10.526 -3.940 1.00 0.55 H new ATOM 0 HB2 GLU A 69 7.419 -10.356 -6.377 1.00 0.65 H new ATOM 0 HB3 GLU A 69 6.442 -8.928 -6.101 1.00 0.65 H new ATOM 0 HG2 GLU A 69 8.398 -7.704 -5.273 1.00 1.35 H new ATOM 0 HG3 GLU A 69 9.393 -9.139 -5.421 1.00 1.35 H new ATOM 936 N LEU A 70 5.588 -8.211 -3.440 1.00 0.44 N ATOM 937 CA LEU A 70 5.234 -7.085 -2.592 1.00 0.41 C ATOM 938 C LEU A 70 5.357 -7.462 -1.121 1.00 0.48 C ATOM 939 O LEU A 70 5.904 -6.705 -0.318 1.00 0.56 O ATOM 940 CB LEU A 70 3.809 -6.624 -2.895 1.00 0.41 C ATOM 941 CG LEU A 70 3.363 -5.364 -2.153 1.00 0.38 C ATOM 942 CD1 LEU A 70 4.207 -4.169 -2.575 1.00 0.41 C ATOM 943 CD2 LEU A 70 1.886 -5.094 -2.400 1.00 0.43 C ATOM 0 H LEU A 70 4.841 -8.520 -4.062 1.00 0.44 H new ATOM 0 HA LEU A 70 5.924 -6.267 -2.801 1.00 0.41 H new ATOM 0 HB2 LEU A 70 3.722 -6.446 -3.967 1.00 0.41 H new ATOM 0 HB3 LEU A 70 3.122 -7.434 -2.650 1.00 0.41 H new ATOM 0 HG LEU A 70 3.507 -5.524 -1.084 1.00 0.38 H new ATOM 0 HD11 LEU A 70 3.875 -3.281 -2.037 1.00 0.41 H new ATOM 0 HD12 LEU A 70 5.254 -4.363 -2.344 1.00 0.41 H new ATOM 0 HD13 LEU A 70 4.096 -4.006 -3.647 1.00 0.41 H new ATOM 0 HD21 LEU A 70 1.586 -4.193 -1.864 1.00 0.43 H new ATOM 0 HD22 LEU A 70 1.715 -4.955 -3.467 1.00 0.43 H new ATOM 0 HD23 LEU A 70 1.297 -5.940 -2.046 1.00 0.43 H new ATOM 953 N GLY A 71 4.863 -8.646 -0.784 1.00 0.54 N ATOM 954 CA GLY A 71 4.912 -9.118 0.584 1.00 0.68 C ATOM 955 C GLY A 71 6.325 -9.306 1.094 1.00 0.71 C ATOM 956 O GLY A 71 6.684 -8.781 2.154 1.00 0.84 O ATOM 0 H GLY A 71 4.426 -9.292 -1.441 1.00 0.54 H new ATOM 0 HA2 GLY A 71 4.391 -8.408 1.226 1.00 0.68 H new ATOM 0 HA3 GLY A 71 4.377 -10.065 0.655 1.00 0.68 H new ATOM 960 N THR A 72 7.130 -10.058 0.355 1.00 0.65 N ATOM 961 CA THR A 72 8.499 -10.330 0.774 1.00 0.75 C ATOM 962 C THR A 72 9.316 -9.040 0.817 1.00 0.75 C ATOM 963 O THR A 72 10.132 -8.839 1.719 1.00 0.88 O ATOM 964 CB THR A 72 9.181 -11.379 -0.135 1.00 0.80 C ATOM 965 OG1 THR A 72 10.434 -11.782 0.434 1.00 1.46 O ATOM 966 CG2 THR A 72 9.412 -10.853 -1.543 1.00 1.12 C ATOM 0 H THR A 72 6.862 -10.488 -0.530 1.00 0.65 H new ATOM 0 HA THR A 72 8.456 -10.749 1.779 1.00 0.75 H new ATOM 0 HB THR A 72 8.508 -12.234 -0.203 1.00 0.80 H new ATOM 0 HG1 THR A 72 10.858 -12.447 -0.147 1.00 1.46 H new ATOM 0 HG21 THR A 72 9.893 -11.624 -2.145 1.00 1.12 H new ATOM 0 HG22 THR A 72 8.456 -10.585 -1.993 1.00 1.12 H new ATOM 0 HG23 THR A 72 10.053 -9.972 -1.502 1.00 1.12 H new ATOM 974 N LEU A 73 9.045 -8.148 -0.125 1.00 0.65 N ATOM 975 CA LEU A 73 9.717 -6.858 -0.183 1.00 0.73 C ATOM 976 C LEU A 73 9.378 -6.006 1.034 1.00 0.84 C ATOM 977 O LEU A 73 10.258 -5.394 1.642 1.00 0.97 O ATOM 978 CB LEU A 73 9.328 -6.115 -1.462 1.00 0.71 C ATOM 979 CG LEU A 73 9.908 -4.711 -1.601 1.00 0.91 C ATOM 980 CD1 LEU A 73 11.425 -4.760 -1.567 1.00 1.51 C ATOM 981 CD2 LEU A 73 9.416 -4.065 -2.886 1.00 1.47 C ATOM 0 H LEU A 73 8.359 -8.296 -0.865 1.00 0.65 H new ATOM 0 HA LEU A 73 10.792 -7.040 -0.186 1.00 0.73 H new ATOM 0 HB2 LEU A 73 9.647 -6.709 -2.319 1.00 0.71 H new ATOM 0 HB3 LEU A 73 8.241 -6.048 -1.507 1.00 0.71 H new ATOM 0 HG LEU A 73 9.569 -4.105 -0.761 1.00 0.91 H new ATOM 0 HD11 LEU A 73 11.824 -3.751 -1.667 1.00 1.51 H new ATOM 0 HD12 LEU A 73 11.754 -5.188 -0.620 1.00 1.51 H new ATOM 0 HD13 LEU A 73 11.788 -5.377 -2.389 1.00 1.51 H new ATOM 0 HD21 LEU A 73 9.837 -3.063 -2.974 1.00 1.47 H new ATOM 0 HD22 LEU A 73 9.730 -4.667 -3.739 1.00 1.47 H new ATOM 0 HD23 LEU A 73 8.328 -4.001 -2.868 1.00 1.47 H new ATOM 991 N LEU A 74 8.096 -5.949 1.368 1.00 0.84 N ATOM 992 CA LEU A 74 7.631 -5.147 2.488 1.00 1.03 C ATOM 993 C LEU A 74 8.203 -5.681 3.799 1.00 1.24 C ATOM 994 O LEU A 74 8.675 -4.919 4.646 1.00 1.47 O ATOM 995 CB LEU A 74 6.102 -5.157 2.535 1.00 1.01 C ATOM 996 CG LEU A 74 5.464 -4.022 3.335 1.00 0.93 C ATOM 997 CD1 LEU A 74 5.658 -2.695 2.623 1.00 1.79 C ATOM 998 CD2 LEU A 74 3.987 -4.293 3.559 1.00 1.14 C ATOM 0 H LEU A 74 7.357 -6.452 0.876 1.00 0.84 H new ATOM 0 HA LEU A 74 7.975 -4.122 2.354 1.00 1.03 H new ATOM 0 HB2 LEU A 74 5.724 -5.116 1.514 1.00 1.01 H new ATOM 0 HB3 LEU A 74 5.774 -6.106 2.959 1.00 1.01 H new ATOM 0 HG LEU A 74 5.956 -3.968 4.306 1.00 0.93 H new ATOM 0 HD11 LEU A 74 5.197 -1.898 3.207 1.00 1.79 H new ATOM 0 HD12 LEU A 74 6.724 -2.494 2.512 1.00 1.79 H new ATOM 0 HD13 LEU A 74 5.193 -2.739 1.638 1.00 1.79 H new ATOM 0 HD21 LEU A 74 3.549 -3.474 4.130 1.00 1.14 H new ATOM 0 HD22 LEU A 74 3.482 -4.374 2.597 1.00 1.14 H new ATOM 0 HD23 LEU A 74 3.868 -5.225 4.111 1.00 1.14 H new ATOM 1008 N GLY A 75 8.184 -6.997 3.941 1.00 1.24 N ATOM 1009 CA GLY A 75 8.722 -7.625 5.131 1.00 1.50 C ATOM 1010 C GLY A 75 7.759 -8.630 5.719 1.00 1.63 C ATOM 1011 O GLY A 75 7.464 -8.596 6.914 1.00 2.22 O ATOM 0 H GLY A 75 7.804 -7.645 3.251 1.00 1.24 H new ATOM 0 HA2 GLY A 75 9.661 -8.121 4.887 1.00 1.50 H new ATOM 0 HA3 GLY A 75 8.949 -6.861 5.874 1.00 1.50 H new ATOM 1015 N ARG A 76 7.214 -9.477 4.865 1.00 1.47 N ATOM 1016 CA ARG A 76 6.208 -10.439 5.276 1.00 1.63 C ATOM 1017 C ARG A 76 6.305 -11.691 4.413 1.00 1.48 C ATOM 1018 O ARG A 76 6.181 -11.620 3.193 1.00 1.41 O ATOM 1019 CB ARG A 76 4.820 -9.799 5.134 1.00 1.84 C ATOM 1020 CG ARG A 76 3.653 -10.705 5.489 1.00 1.98 C ATOM 1021 CD ARG A 76 3.573 -10.985 6.981 1.00 2.35 C ATOM 1022 NE ARG A 76 2.284 -11.577 7.340 1.00 3.01 N ATOM 1023 CZ ARG A 76 1.958 -11.987 8.565 1.00 3.50 C ATOM 1024 NH1 ARG A 76 2.841 -11.922 9.551 1.00 3.60 N ATOM 1025 NH2 ARG A 76 0.746 -12.476 8.799 1.00 4.36 N ATOM 0 H ARG A 76 7.454 -9.518 3.874 1.00 1.47 H new ATOM 0 HA ARG A 76 6.371 -10.724 6.315 1.00 1.63 H new ATOM 0 HB2 ARG A 76 4.779 -8.914 5.769 1.00 1.84 H new ATOM 0 HB3 ARG A 76 4.697 -9.460 4.105 1.00 1.84 H new ATOM 0 HG2 ARG A 76 2.723 -10.243 5.158 1.00 1.98 H new ATOM 0 HG3 ARG A 76 3.750 -11.647 4.949 1.00 1.98 H new ATOM 0 HD2 ARG A 76 4.379 -11.659 7.271 1.00 2.35 H new ATOM 0 HD3 ARG A 76 3.718 -10.058 7.536 1.00 2.35 H new ATOM 0 HE ARG A 76 1.588 -11.683 6.602 1.00 3.01 H new ATOM 0 HH11 ARG A 76 3.777 -11.556 9.374 1.00 3.60 H new ATOM 0 HH12 ARG A 76 2.585 -12.238 10.487 1.00 3.60 H new ATOM 0 HH21 ARG A 76 0.066 -12.537 8.041 1.00 4.36 H new ATOM 0 HH22 ARG A 76 0.495 -12.790 9.736 1.00 4.36 H new ATOM 1033 N PRO A 77 6.534 -12.859 5.032 1.00 1.57 N ATOM 1034 CA PRO A 77 6.621 -14.134 4.314 1.00 1.60 C ATOM 1035 C PRO A 77 5.241 -14.651 3.916 1.00 1.55 C ATOM 1036 O PRO A 77 4.942 -15.838 4.040 1.00 1.73 O ATOM 1037 CB PRO A 77 7.272 -15.063 5.335 1.00 1.89 C ATOM 1038 CG PRO A 77 6.835 -14.528 6.654 1.00 1.91 C ATOM 1039 CD PRO A 77 6.708 -13.036 6.485 1.00 1.81 C ATOM 0 HA PRO A 77 7.179 -14.053 3.381 1.00 1.60 H new ATOM 0 HB2 PRO A 77 6.948 -16.094 5.197 1.00 1.89 H new ATOM 0 HB3 PRO A 77 8.358 -15.056 5.243 1.00 1.89 H new ATOM 0 HG2 PRO A 77 5.884 -14.967 6.956 1.00 1.91 H new ATOM 0 HG3 PRO A 77 7.559 -14.771 7.431 1.00 1.91 H new ATOM 0 HD2 PRO A 77 5.857 -12.642 7.041 1.00 1.81 H new ATOM 0 HD3 PRO A 77 7.594 -12.516 6.848 1.00 1.81 H new ATOM 1041 N HIS A 78 4.407 -13.738 3.453 1.00 1.55 N ATOM 1042 CA HIS A 78 3.046 -14.037 3.046 1.00 1.56 C ATOM 1043 C HIS A 78 2.610 -13.021 2.007 1.00 1.37 C ATOM 1044 O HIS A 78 3.094 -11.888 2.009 1.00 1.90 O ATOM 1045 CB HIS A 78 2.089 -14.006 4.248 1.00 1.86 C ATOM 1046 CG HIS A 78 2.153 -15.230 5.109 1.00 1.97 C ATOM 1047 ND1 HIS A 78 1.861 -16.494 4.644 1.00 2.84 N ATOM 1048 CD2 HIS A 78 2.490 -15.382 6.412 1.00 1.78 C ATOM 1049 CE1 HIS A 78 2.013 -17.368 5.620 1.00 3.13 C ATOM 1050 NE2 HIS A 78 2.393 -16.719 6.702 1.00 2.47 N ATOM 0 H HIS A 78 4.659 -12.755 3.348 1.00 1.55 H new ATOM 0 HA HIS A 78 3.015 -15.041 2.623 1.00 1.56 H new ATOM 0 HB2 HIS A 78 2.317 -13.132 4.859 1.00 1.86 H new ATOM 0 HB3 HIS A 78 1.069 -13.883 3.884 1.00 1.86 H new ATOM 0 HD2 HIS A 78 2.781 -14.597 7.095 1.00 1.78 H new ATOM 0 HE1 HIS A 78 1.853 -18.434 5.545 1.00 3.13 H new ATOM 0 HE2 HIS A 78 2.584 -17.143 7.610 1.00 2.47 H new ATOM 1057 N THR A 79 1.783 -13.454 1.071 1.00 1.02 N ATOM 1058 CA THR A 79 1.361 -12.599 -0.028 1.00 0.90 C ATOM 1059 C THR A 79 0.548 -11.407 0.473 1.00 0.80 C ATOM 1060 O THR A 79 -0.627 -11.549 0.810 1.00 1.06 O ATOM 1061 CB THR A 79 0.524 -13.398 -1.050 1.00 1.08 C ATOM 1062 OG1 THR A 79 -0.551 -14.077 -0.384 1.00 1.25 O ATOM 1063 CG2 THR A 79 1.390 -14.413 -1.778 1.00 1.21 C ATOM 0 H THR A 79 1.389 -14.395 1.049 1.00 1.02 H new ATOM 0 HA THR A 79 2.263 -12.226 -0.513 1.00 0.90 H new ATOM 0 HB THR A 79 0.116 -12.697 -1.778 1.00 1.08 H new ATOM 0 HG1 THR A 79 -0.969 -13.472 0.264 1.00 1.25 H new ATOM 0 HG21 THR A 79 0.780 -14.965 -2.493 1.00 1.21 H new ATOM 0 HG22 THR A 79 2.191 -13.896 -2.307 1.00 1.21 H new ATOM 0 HG23 THR A 79 1.821 -15.107 -1.057 1.00 1.21 H new ATOM 1071 N VAL A 80 1.162 -10.229 0.482 1.00 0.65 N ATOM 1072 CA VAL A 80 0.458 -9.015 0.867 1.00 0.55 C ATOM 1073 C VAL A 80 -0.386 -8.527 -0.300 1.00 0.48 C ATOM 1074 O VAL A 80 0.137 -8.228 -1.372 1.00 0.56 O ATOM 1075 CB VAL A 80 1.441 -7.898 1.305 1.00 0.62 C ATOM 1076 CG1 VAL A 80 0.710 -6.584 1.555 1.00 1.16 C ATOM 1077 CG2 VAL A 80 2.215 -8.317 2.549 1.00 1.24 C ATOM 0 H VAL A 80 2.140 -10.091 0.228 1.00 0.65 H new ATOM 0 HA VAL A 80 -0.181 -9.250 1.718 1.00 0.55 H new ATOM 0 HB VAL A 80 2.148 -7.743 0.490 1.00 0.62 H new ATOM 0 HG11 VAL A 80 1.426 -5.821 1.860 1.00 1.16 H new ATOM 0 HG12 VAL A 80 0.210 -6.266 0.640 1.00 1.16 H new ATOM 0 HG13 VAL A 80 -0.030 -6.723 2.343 1.00 1.16 H new ATOM 0 HG21 VAL A 80 2.898 -7.519 2.838 1.00 1.24 H new ATOM 0 HG22 VAL A 80 1.517 -8.510 3.364 1.00 1.24 H new ATOM 0 HG23 VAL A 80 2.784 -9.222 2.336 1.00 1.24 H new ATOM 1087 N SER A 81 -1.692 -8.472 -0.098 1.00 0.42 N ATOM 1088 CA SER A 81 -2.604 -8.033 -1.139 1.00 0.47 C ATOM 1089 C SER A 81 -2.620 -6.514 -1.215 1.00 0.38 C ATOM 1090 O SER A 81 -2.700 -5.930 -2.300 1.00 0.39 O ATOM 1091 CB SER A 81 -4.017 -8.563 -0.870 1.00 0.55 C ATOM 1092 OG SER A 81 -4.016 -9.976 -0.724 1.00 1.18 O ATOM 0 H SER A 81 -2.145 -8.727 0.780 1.00 0.42 H new ATOM 0 HA SER A 81 -2.259 -8.430 -2.094 1.00 0.47 H new ATOM 0 HB2 SER A 81 -4.416 -8.102 0.034 1.00 0.55 H new ATOM 0 HB3 SER A 81 -4.677 -8.280 -1.690 1.00 0.55 H new ATOM 0 HG SER A 81 -4.929 -10.288 -0.552 1.00 1.18 H new ATOM 1096 N ALA A 82 -2.555 -5.883 -0.052 1.00 0.32 N ATOM 1097 CA ALA A 82 -2.612 -4.438 0.037 1.00 0.30 C ATOM 1098 C ALA A 82 -1.902 -3.946 1.289 1.00 0.30 C ATOM 1099 O ALA A 82 -1.964 -4.581 2.344 1.00 0.34 O ATOM 1100 CB ALA A 82 -4.060 -3.982 0.037 1.00 0.33 C ATOM 0 H ALA A 82 -2.462 -6.356 0.847 1.00 0.32 H new ATOM 0 HA ALA A 82 -2.103 -4.014 -0.829 1.00 0.30 H new ATOM 0 HB1 ALA A 82 -4.099 -2.895 0.104 1.00 0.33 H new ATOM 0 HB2 ALA A 82 -4.544 -4.306 -0.884 1.00 0.33 H new ATOM 0 HB3 ALA A 82 -4.578 -4.417 0.891 1.00 0.33 H new ATOM 1106 N LEU A 83 -1.215 -2.826 1.166 1.00 0.29 N ATOM 1107 CA LEU A 83 -0.493 -2.251 2.285 1.00 0.31 C ATOM 1108 C LEU A 83 -0.849 -0.780 2.441 1.00 0.28 C ATOM 1109 O LEU A 83 -1.021 -0.063 1.453 1.00 0.30 O ATOM 1110 CB LEU A 83 1.020 -2.435 2.095 1.00 0.37 C ATOM 1111 CG LEU A 83 1.614 -1.816 0.824 1.00 0.44 C ATOM 1112 CD1 LEU A 83 2.086 -0.390 1.074 1.00 0.88 C ATOM 1113 CD2 LEU A 83 2.760 -2.667 0.312 1.00 0.83 C ATOM 0 H LEU A 83 -1.142 -2.294 0.299 1.00 0.29 H new ATOM 0 HA LEU A 83 -0.785 -2.770 3.198 1.00 0.31 H new ATOM 0 HB2 LEU A 83 1.530 -2.006 2.958 1.00 0.37 H new ATOM 0 HB3 LEU A 83 1.240 -3.503 2.093 1.00 0.37 H new ATOM 0 HG LEU A 83 0.830 -1.783 0.067 1.00 0.44 H new ATOM 0 HD11 LEU A 83 2.502 0.022 0.155 1.00 0.88 H new ATOM 0 HD12 LEU A 83 1.243 0.221 1.396 1.00 0.88 H new ATOM 0 HD13 LEU A 83 2.851 -0.391 1.850 1.00 0.88 H new ATOM 0 HD21 LEU A 83 3.173 -2.216 -0.591 1.00 0.83 H new ATOM 0 HD22 LEU A 83 3.536 -2.729 1.075 1.00 0.83 H new ATOM 0 HD23 LEU A 83 2.396 -3.669 0.084 1.00 0.83 H new ATOM 1123 N ALA A 84 -0.985 -0.340 3.678 1.00 0.28 N ATOM 1124 CA ALA A 84 -1.325 1.046 3.948 1.00 0.29 C ATOM 1125 C ALA A 84 -0.182 1.755 4.656 1.00 0.30 C ATOM 1126 O ALA A 84 0.111 1.480 5.821 1.00 0.34 O ATOM 1127 CB ALA A 84 -2.601 1.136 4.772 1.00 0.35 C ATOM 0 H ALA A 84 -0.866 -0.919 4.509 1.00 0.28 H new ATOM 0 HA ALA A 84 -1.496 1.544 2.994 1.00 0.29 H new ATOM 0 HB1 ALA A 84 -2.838 2.183 4.963 1.00 0.35 H new ATOM 0 HB2 ALA A 84 -3.421 0.673 4.224 1.00 0.35 H new ATOM 0 HB3 ALA A 84 -2.459 0.617 5.720 1.00 0.35 H new ATOM 1133 N VAL A 85 0.418 2.704 3.958 1.00 0.35 N ATOM 1134 CA VAL A 85 1.472 3.529 4.517 1.00 0.42 C ATOM 1135 C VAL A 85 0.862 4.600 5.407 1.00 0.41 C ATOM 1136 O VAL A 85 0.240 5.545 4.912 1.00 0.46 O ATOM 1137 CB VAL A 85 2.304 4.215 3.407 1.00 0.53 C ATOM 1138 CG1 VAL A 85 3.506 4.936 3.998 1.00 0.69 C ATOM 1139 CG2 VAL A 85 2.744 3.209 2.353 1.00 1.05 C ATOM 0 H VAL A 85 0.188 2.923 2.989 1.00 0.35 H new ATOM 0 HA VAL A 85 2.132 2.882 5.095 1.00 0.42 H new ATOM 0 HB VAL A 85 1.668 4.955 2.922 1.00 0.53 H new ATOM 0 HG11 VAL A 85 4.075 5.410 3.198 1.00 0.69 H new ATOM 0 HG12 VAL A 85 3.165 5.696 4.701 1.00 0.69 H new ATOM 0 HG13 VAL A 85 4.140 4.219 4.519 1.00 0.69 H new ATOM 0 HG21 VAL A 85 3.327 3.718 1.585 1.00 1.05 H new ATOM 0 HG22 VAL A 85 3.355 2.437 2.820 1.00 1.05 H new ATOM 0 HG23 VAL A 85 1.866 2.751 1.898 1.00 1.05 H new ATOM 1149 N VAL A 86 1.014 4.441 6.711 1.00 0.44 N ATOM 1150 CA VAL A 86 0.477 5.399 7.662 1.00 0.46 C ATOM 1151 C VAL A 86 1.349 6.644 7.692 1.00 0.47 C ATOM 1152 O VAL A 86 0.869 7.762 7.488 1.00 0.54 O ATOM 1153 CB VAL A 86 0.388 4.804 9.081 1.00 0.48 C ATOM 1154 CG1 VAL A 86 -0.259 5.791 10.042 1.00 0.53 C ATOM 1155 CG2 VAL A 86 -0.378 3.490 9.062 1.00 0.53 C ATOM 0 H VAL A 86 1.506 3.655 7.136 1.00 0.44 H new ATOM 0 HA VAL A 86 -0.531 5.657 7.337 1.00 0.46 H new ATOM 0 HB VAL A 86 1.401 4.606 9.432 1.00 0.48 H new ATOM 0 HG11 VAL A 86 -0.311 5.349 11.037 1.00 0.53 H new ATOM 0 HG12 VAL A 86 0.335 6.704 10.081 1.00 0.53 H new ATOM 0 HG13 VAL A 86 -1.266 6.028 9.697 1.00 0.53 H new ATOM 0 HG21 VAL A 86 -0.431 3.085 10.073 1.00 0.53 H new ATOM 0 HG22 VAL A 86 -1.387 3.662 8.687 1.00 0.53 H new ATOM 0 HG23 VAL A 86 0.134 2.780 8.413 1.00 0.53 H new ATOM 1165 N ASP A 87 2.648 6.426 7.834 1.00 0.49 N ATOM 1166 CA ASP A 87 3.616 7.509 7.804 1.00 0.60 C ATOM 1167 C ASP A 87 4.735 7.176 6.833 1.00 0.47 C ATOM 1168 O ASP A 87 5.356 6.117 6.935 1.00 0.62 O ATOM 1169 CB ASP A 87 4.203 7.759 9.198 1.00 0.83 C ATOM 1170 CG ASP A 87 3.227 8.431 10.141 1.00 1.50 C ATOM 1171 OD1 ASP A 87 2.786 9.559 9.839 1.00 1.94 O ATOM 1172 OD2 ASP A 87 2.910 7.840 11.197 1.00 2.15 O ATOM 0 H ASP A 87 3.057 5.502 7.972 1.00 0.49 H new ATOM 0 HA ASP A 87 3.104 8.414 7.476 1.00 0.60 H new ATOM 0 HB2 ASP A 87 4.519 6.809 9.628 1.00 0.83 H new ATOM 0 HB3 ASP A 87 5.094 8.379 9.105 1.00 0.83 H new ATOM 1175 N PRO A 88 4.955 8.039 5.834 1.00 0.45 N ATOM 1176 CA PRO A 88 5.974 7.824 4.806 1.00 0.54 C ATOM 1177 C PRO A 88 7.385 8.021 5.349 1.00 0.93 C ATOM 1178 O PRO A 88 8.313 7.303 4.973 1.00 1.68 O ATOM 1179 CB PRO A 88 5.659 8.887 3.741 1.00 0.69 C ATOM 1180 CG PRO A 88 4.321 9.442 4.110 1.00 0.99 C ATOM 1181 CD PRO A 88 4.198 9.272 5.594 1.00 0.66 C ATOM 0 HA PRO A 88 5.949 6.805 4.421 1.00 0.54 H new ATOM 0 HB2 PRO A 88 6.418 9.669 3.731 1.00 0.69 H new ATOM 0 HB3 PRO A 88 5.640 8.449 2.743 1.00 0.69 H new ATOM 0 HG2 PRO A 88 4.244 10.493 3.830 1.00 0.99 H new ATOM 0 HG3 PRO A 88 3.522 8.914 3.589 1.00 0.99 H new ATOM 0 HD2 PRO A 88 4.619 10.119 6.136 1.00 0.66 H new ATOM 0 HD3 PRO A 88 3.158 9.178 5.907 1.00 0.66 H new ATOM 1183 N GLY A 89 7.540 9.017 6.214 1.00 0.73 N ATOM 1184 CA GLY A 89 8.842 9.326 6.765 1.00 1.09 C ATOM 1185 C GLY A 89 9.786 9.882 5.718 1.00 0.99 C ATOM 1186 O GLY A 89 9.431 10.805 4.984 1.00 1.49 O ATOM 0 H GLY A 89 6.783 9.617 6.543 1.00 0.73 H new ATOM 0 HA2 GLY A 89 8.731 10.049 7.573 1.00 1.09 H new ATOM 0 HA3 GLY A 89 9.274 8.425 7.200 1.00 1.09 H new ATOM 1190 N GLU A 90 10.982 9.318 5.648 1.00 0.73 N ATOM 1191 CA GLU A 90 11.987 9.756 4.688 1.00 0.70 C ATOM 1192 C GLU A 90 11.620 9.325 3.272 1.00 0.68 C ATOM 1193 O GLU A 90 11.938 10.012 2.300 1.00 1.07 O ATOM 1194 CB GLU A 90 13.351 9.179 5.065 1.00 0.95 C ATOM 1195 CG GLU A 90 13.815 9.577 6.455 1.00 1.45 C ATOM 1196 CD GLU A 90 15.113 8.908 6.853 1.00 2.32 C ATOM 1197 OE1 GLU A 90 15.616 8.070 6.071 1.00 3.03 O ATOM 1198 OE2 GLU A 90 15.645 9.221 7.940 1.00 2.82 O ATOM 0 H GLU A 90 11.283 8.550 6.249 1.00 0.73 H new ATOM 0 HA GLU A 90 12.030 10.845 4.714 1.00 0.70 H new ATOM 0 HB2 GLU A 90 13.306 8.092 5.003 1.00 0.95 H new ATOM 0 HB3 GLU A 90 14.090 9.509 4.335 1.00 0.95 H new ATOM 0 HG2 GLU A 90 13.942 10.659 6.495 1.00 1.45 H new ATOM 0 HG3 GLU A 90 13.042 9.320 7.179 1.00 1.45 H new ATOM 1201 N SER A 91 11.022 8.146 3.163 1.00 0.54 N ATOM 1202 CA SER A 91 10.693 7.560 1.871 1.00 0.53 C ATOM 1203 C SER A 91 9.749 8.448 1.062 1.00 0.49 C ATOM 1204 O SER A 91 8.733 8.929 1.569 1.00 0.57 O ATOM 1205 CB SER A 91 10.073 6.182 2.076 1.00 0.65 C ATOM 1206 OG SER A 91 10.923 5.363 2.860 1.00 1.65 O ATOM 0 H SER A 91 10.753 7.572 3.962 1.00 0.54 H new ATOM 0 HA SER A 91 11.618 7.467 1.301 1.00 0.53 H new ATOM 0 HB2 SER A 91 9.104 6.283 2.565 1.00 0.65 H new ATOM 0 HB3 SER A 91 9.895 5.710 1.110 1.00 0.65 H new ATOM 0 HG SER A 91 10.832 4.430 2.575 1.00 1.65 H new ATOM 1210 N ARG A 92 10.088 8.637 -0.204 1.00 0.50 N ATOM 1211 CA ARG A 92 9.293 9.445 -1.124 1.00 0.55 C ATOM 1212 C ARG A 92 8.200 8.596 -1.771 1.00 0.53 C ATOM 1213 O ARG A 92 7.963 8.678 -2.973 1.00 0.68 O ATOM 1214 CB ARG A 92 10.206 10.021 -2.206 1.00 0.72 C ATOM 1215 CG ARG A 92 11.482 10.624 -1.650 1.00 1.39 C ATOM 1216 CD ARG A 92 12.629 10.479 -2.634 1.00 2.08 C ATOM 1217 NE ARG A 92 13.922 10.768 -2.016 1.00 2.69 N ATOM 1218 CZ ARG A 92 15.094 10.524 -2.598 1.00 3.57 C ATOM 1219 NH1 ARG A 92 15.144 9.937 -3.789 1.00 4.00 N ATOM 1220 NH2 ARG A 92 16.220 10.847 -1.973 1.00 4.45 N ATOM 0 H ARG A 92 10.924 8.234 -0.626 1.00 0.50 H new ATOM 0 HA ARG A 92 8.821 10.256 -0.569 1.00 0.55 H new ATOM 0 HB2 ARG A 92 10.462 9.233 -2.914 1.00 0.72 H new ATOM 0 HB3 ARG A 92 9.663 10.785 -2.762 1.00 0.72 H new ATOM 0 HG2 ARG A 92 11.322 11.679 -1.426 1.00 1.39 H new ATOM 0 HG3 ARG A 92 11.740 10.134 -0.711 1.00 1.39 H new ATOM 0 HD2 ARG A 92 12.637 9.465 -3.034 1.00 2.08 H new ATOM 0 HD3 ARG A 92 12.471 11.153 -3.476 1.00 2.08 H new ATOM 0 HE ARG A 92 13.926 11.181 -1.083 1.00 2.69 H new ATOM 0 HH11 ARG A 92 14.281 9.671 -4.263 1.00 4.00 H new ATOM 0 HH12 ARG A 92 16.045 9.753 -4.229 1.00 4.00 H new ATOM 0 HH21 ARG A 92 16.185 11.280 -1.050 1.00 4.45 H new ATOM 0 HH22 ARG A 92 17.120 10.662 -2.416 1.00 4.45 H new ATOM 1228 N ILE A 93 7.589 7.728 -0.976 1.00 0.46 N ATOM 1229 CA ILE A 93 6.600 6.778 -1.477 1.00 0.57 C ATOM 1230 C ILE A 93 5.386 7.492 -2.086 1.00 0.61 C ATOM 1231 O ILE A 93 4.748 6.981 -3.011 1.00 0.70 O ATOM 1232 CB ILE A 93 6.143 5.805 -0.357 1.00 0.65 C ATOM 1233 CG1 ILE A 93 5.243 4.702 -0.920 1.00 0.89 C ATOM 1234 CG2 ILE A 93 5.432 6.556 0.758 1.00 0.61 C ATOM 1235 CD1 ILE A 93 5.945 3.803 -1.915 1.00 0.97 C ATOM 0 H ILE A 93 7.762 7.661 0.027 1.00 0.46 H new ATOM 0 HA ILE A 93 7.082 6.200 -2.266 1.00 0.57 H new ATOM 0 HB ILE A 93 7.034 5.336 0.060 1.00 0.65 H new ATOM 0 HG12 ILE A 93 4.866 4.095 -0.097 1.00 0.89 H new ATOM 0 HG13 ILE A 93 4.378 5.159 -1.401 1.00 0.89 H new ATOM 0 HG21 ILE A 93 5.122 5.852 1.530 1.00 0.61 H new ATOM 0 HG22 ILE A 93 6.109 7.293 1.190 1.00 0.61 H new ATOM 0 HG23 ILE A 93 4.555 7.062 0.354 1.00 0.61 H new ATOM 0 HD11 ILE A 93 5.249 3.044 -2.274 1.00 0.97 H new ATOM 0 HD12 ILE A 93 6.299 4.398 -2.757 1.00 0.97 H new ATOM 0 HD13 ILE A 93 6.793 3.318 -1.432 1.00 0.97 H new ATOM 1245 N LEU A 94 5.104 8.696 -1.593 1.00 0.60 N ATOM 1246 CA LEU A 94 3.980 9.493 -2.080 1.00 0.70 C ATOM 1247 C LEU A 94 4.145 9.862 -3.552 1.00 0.70 C ATOM 1248 O LEU A 94 3.168 10.181 -4.225 1.00 0.78 O ATOM 1249 CB LEU A 94 3.824 10.761 -1.241 1.00 0.85 C ATOM 1250 CG LEU A 94 3.551 10.528 0.245 1.00 0.81 C ATOM 1251 CD1 LEU A 94 3.442 11.856 0.979 1.00 1.63 C ATOM 1252 CD2 LEU A 94 2.282 9.708 0.431 1.00 1.15 C ATOM 0 H LEU A 94 5.643 9.144 -0.851 1.00 0.60 H new ATOM 0 HA LEU A 94 3.081 8.883 -1.985 1.00 0.70 H new ATOM 0 HB2 LEU A 94 4.732 11.356 -1.338 1.00 0.85 H new ATOM 0 HB3 LEU A 94 3.009 11.354 -1.655 1.00 0.85 H new ATOM 0 HG LEU A 94 4.386 9.969 0.667 1.00 0.81 H new ATOM 0 HD11 LEU A 94 3.248 11.673 2.036 1.00 1.63 H new ATOM 0 HD12 LEU A 94 4.376 12.408 0.872 1.00 1.63 H new ATOM 0 HD13 LEU A 94 2.625 12.440 0.556 1.00 1.63 H new ATOM 0 HD21 LEU A 94 2.103 9.551 1.495 1.00 1.15 H new ATOM 0 HD22 LEU A 94 1.437 10.241 -0.005 1.00 1.15 H new ATOM 0 HD23 LEU A 94 2.396 8.743 -0.063 1.00 1.15 H new ATOM 1262 N ALA A 95 5.378 9.822 -4.042 1.00 0.66 N ATOM 1263 CA ALA A 95 5.669 10.154 -5.435 1.00 0.75 C ATOM 1264 C ALA A 95 4.904 9.250 -6.399 1.00 0.69 C ATOM 1265 O ALA A 95 4.434 9.700 -7.443 1.00 0.78 O ATOM 1266 CB ALA A 95 7.162 10.056 -5.701 1.00 0.86 C ATOM 0 H ALA A 95 6.198 9.562 -3.494 1.00 0.66 H new ATOM 0 HA ALA A 95 5.341 11.180 -5.606 1.00 0.75 H new ATOM 0 HB1 ALA A 95 7.363 10.306 -6.743 1.00 0.86 H new ATOM 0 HB2 ALA A 95 7.694 10.751 -5.052 1.00 0.86 H new ATOM 0 HB3 ALA A 95 7.502 9.040 -5.500 1.00 0.86 H new ATOM 1272 N LEU A 96 4.803 7.969 -6.062 1.00 0.65 N ATOM 1273 CA LEU A 96 4.098 7.018 -6.913 1.00 0.75 C ATOM 1274 C LEU A 96 2.603 7.054 -6.617 1.00 0.80 C ATOM 1275 O LEU A 96 1.773 6.834 -7.499 1.00 0.98 O ATOM 1276 CB LEU A 96 4.639 5.595 -6.723 1.00 1.12 C ATOM 1277 CG LEU A 96 6.137 5.411 -7.006 1.00 0.80 C ATOM 1278 CD1 LEU A 96 6.965 5.696 -5.762 1.00 1.50 C ATOM 1279 CD2 LEU A 96 6.411 4.009 -7.522 1.00 1.57 C ATOM 0 H LEU A 96 5.197 7.567 -5.211 1.00 0.65 H new ATOM 0 HA LEU A 96 4.264 7.308 -7.951 1.00 0.75 H new ATOM 0 HB2 LEU A 96 4.441 5.284 -5.697 1.00 1.12 H new ATOM 0 HB3 LEU A 96 4.079 4.923 -7.374 1.00 1.12 H new ATOM 0 HG LEU A 96 6.428 6.126 -7.775 1.00 0.80 H new ATOM 0 HD11 LEU A 96 8.022 5.559 -5.989 1.00 1.50 H new ATOM 0 HD12 LEU A 96 6.794 6.723 -5.438 1.00 1.50 H new ATOM 0 HD13 LEU A 96 6.673 5.011 -4.966 1.00 1.50 H new ATOM 0 HD21 LEU A 96 7.477 3.895 -7.718 1.00 1.57 H new ATOM 0 HD22 LEU A 96 6.099 3.279 -6.775 1.00 1.57 H new ATOM 0 HD23 LEU A 96 5.853 3.845 -8.444 1.00 1.57 H new ATOM 1289 N GLY A 97 2.266 7.366 -5.374 1.00 0.85 N ATOM 1290 CA GLY A 97 0.875 7.454 -4.980 1.00 1.14 C ATOM 1291 C GLY A 97 0.365 8.880 -4.962 1.00 1.15 C ATOM 1292 O GLY A 97 -0.268 9.311 -3.996 1.00 1.79 O ATOM 0 H GLY A 97 2.934 7.561 -4.628 1.00 0.85 H new ATOM 0 HA2 GLY A 97 0.268 6.864 -5.667 1.00 1.14 H new ATOM 0 HA3 GLY A 97 0.753 7.016 -3.989 1.00 1.14 H new