USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 786 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 15 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-6.1) USER MOD Set 1.2: A 61 ASN : amide:sc= 0.0238 K(o=-2.5,f=-4.3) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 6 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.008) USER MOD Single : A 7 TYR OH : rot -26:sc= -0.314 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 24 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.96) USER MOD Single : A 31 THR OG1 : rot -35:sc= 0.802 USER MOD Single : A 42 SER OG : rot -147:sc= 0.732 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.2 K(o=-1.2,f=-11!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 55 ASN : amide:sc=-0.00881 K(o=-0.0088,f=-1.4!) USER MOD Single : A 62 SER OG : rot 115:sc= 1.28 USER MOD Single : A 73 SER OG : rot -170:sc= -0.468 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=-0.00098) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0.092) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 22 N SER A 3 6.703 -1.634 -2.734 1.00 25.30 N ATOM 23 CA SER A 3 6.817 -2.552 -3.861 1.00 74.15 C ATOM 24 C SER A 3 8.280 -2.829 -4.192 1.00 41.42 C ATOM 25 O SER A 3 8.631 -3.923 -4.631 1.00 65.23 O ATOM 26 CB SER A 3 6.105 -1.977 -5.088 1.00 33.34 C ATOM 27 OG SER A 3 6.690 -2.453 -6.287 1.00 64.21 O ATOM 0 HA SER A 3 6.342 -3.492 -3.581 1.00 74.15 H new ATOM 0 HB2 SER A 3 5.050 -2.250 -5.061 1.00 33.34 H new ATOM 0 HB3 SER A 3 6.153 -0.888 -5.063 1.00 33.34 H new ATOM 0 HG SER A 3 6.216 -2.072 -7.056 1.00 64.21 H new ATOM 33 N GLN A 4 9.128 -1.828 -3.978 1.00 10.24 N ATOM 34 CA GLN A 4 10.553 -1.962 -4.253 1.00 64.44 C ATOM 35 C GLN A 4 11.369 -1.848 -2.970 1.00 44.10 C ATOM 36 O GLN A 4 11.295 -0.842 -2.263 1.00 75.33 O ATOM 37 CB GLN A 4 11.003 -0.897 -5.255 1.00 25.23 C ATOM 38 CG GLN A 4 10.551 0.508 -4.892 1.00 41.15 C ATOM 39 CD GLN A 4 9.356 0.964 -5.706 1.00 13.24 C ATOM 40 OE1 GLN A 4 8.229 0.997 -5.210 1.00 1.53 O ATOM 41 NE2 GLN A 4 9.595 1.319 -6.963 1.00 1.14 N ATOM 0 H GLN A 4 8.852 -0.915 -3.615 1.00 10.24 H new ATOM 0 HA GLN A 4 10.723 -2.949 -4.682 1.00 64.44 H new ATOM 0 HB2 GLN A 4 12.091 -0.913 -5.326 1.00 25.23 H new ATOM 0 HB3 GLN A 4 10.615 -1.151 -6.242 1.00 25.23 H new ATOM 0 HG2 GLN A 4 10.299 0.542 -3.832 1.00 41.15 H new ATOM 0 HG3 GLN A 4 11.377 1.203 -5.045 1.00 41.15 H new ATOM 0 HE21 GLN A 4 10.544 1.276 -7.333 1.00 1.14 H new ATOM 0 HE22 GLN A 4 8.829 1.634 -7.558 1.00 1.14 H new ATOM 50 N ILE A 5 12.147 -2.884 -2.675 1.00 2.11 N ATOM 51 CA ILE A 5 12.977 -2.899 -1.477 1.00 3.51 C ATOM 52 C ILE A 5 14.439 -3.160 -1.824 1.00 41.41 C ATOM 53 O ILE A 5 14.745 -3.774 -2.846 1.00 64.52 O ATOM 54 CB ILE A 5 12.501 -3.966 -0.475 1.00 33.43 C ATOM 55 CG1 ILE A 5 13.122 -3.719 0.902 1.00 54.34 C ATOM 56 CG2 ILE A 5 12.852 -5.359 -0.977 1.00 51.34 C ATOM 57 CD1 ILE A 5 12.782 -2.364 1.483 1.00 74.21 C ATOM 0 H ILE A 5 12.220 -3.724 -3.249 1.00 2.11 H new ATOM 0 HA ILE A 5 12.885 -1.915 -1.018 1.00 3.51 H new ATOM 0 HB ILE A 5 11.417 -3.896 -0.382 1.00 33.43 H new ATOM 0 HG12 ILE A 5 12.784 -4.495 1.589 1.00 54.34 H new ATOM 0 HG13 ILE A 5 14.205 -3.811 0.825 1.00 54.34 H new ATOM 0 HG21 ILE A 5 12.509 -6.102 -0.257 1.00 51.34 H new ATOM 0 HG22 ILE A 5 12.367 -5.533 -1.937 1.00 51.34 H new ATOM 0 HG23 ILE A 5 13.932 -5.441 -1.096 1.00 51.34 H new ATOM 0 HD11 ILE A 5 13.255 -2.258 2.459 1.00 74.21 H new ATOM 0 HD12 ILE A 5 13.144 -1.581 0.817 1.00 74.21 H new ATOM 0 HD13 ILE A 5 11.701 -2.276 1.592 1.00 74.21 H new ATOM 69 N HIS A 6 15.339 -2.690 -0.966 1.00 14.24 N ATOM 70 CA HIS A 6 16.769 -2.874 -1.180 1.00 65.51 C ATOM 71 C HIS A 6 17.436 -3.447 0.067 1.00 63.41 C ATOM 72 O HIS A 6 17.313 -2.893 1.159 1.00 10.23 O ATOM 73 CB HIS A 6 17.425 -1.546 -1.559 1.00 25.32 C ATOM 74 CG HIS A 6 17.371 -1.248 -3.025 1.00 61.25 C ATOM 75 ND1 HIS A 6 18.483 -0.904 -3.765 1.00 73.23 N ATOM 76 CD2 HIS A 6 16.330 -1.246 -3.890 1.00 51.34 C ATOM 77 CE1 HIS A 6 18.127 -0.701 -5.021 1.00 64.34 C ATOM 78 NE2 HIS A 6 16.826 -0.903 -5.124 1.00 0.50 N ATOM 0 H HIS A 6 15.103 -2.179 -0.116 1.00 14.24 H new ATOM 0 HA HIS A 6 16.900 -3.582 -1.998 1.00 65.51 H new ATOM 0 HB2 HIS A 6 16.934 -0.739 -1.014 1.00 25.32 H new ATOM 0 HB3 HIS A 6 18.466 -1.560 -1.238 1.00 25.32 H new ATOM 0 HD2 HIS A 6 15.301 -1.472 -3.654 1.00 51.34 H new ATOM 0 HE1 HIS A 6 18.788 -0.418 -5.827 1.00 64.34 H new ATOM 0 HE2 HIS A 6 16.279 -0.818 -5.980 1.00 0.50 H new ATOM 86 N TYR A 7 18.141 -4.560 -0.104 1.00 25.14 N ATOM 87 CA TYR A 7 18.825 -5.210 1.008 1.00 12.15 C ATOM 88 C TYR A 7 20.328 -5.282 0.757 1.00 11.53 C ATOM 89 O TYR A 7 20.808 -4.913 -0.315 1.00 32.13 O ATOM 90 CB TYR A 7 18.265 -6.617 1.226 1.00 2.33 C ATOM 91 CG TYR A 7 16.782 -6.640 1.519 1.00 40.11 C ATOM 92 CD1 TYR A 7 16.206 -5.700 2.365 1.00 4.02 C ATOM 93 CD2 TYR A 7 15.956 -7.602 0.950 1.00 4.32 C ATOM 94 CE1 TYR A 7 14.852 -5.717 2.636 1.00 32.51 C ATOM 95 CE2 TYR A 7 14.601 -7.626 1.214 1.00 13.13 C ATOM 96 CZ TYR A 7 14.053 -6.682 2.058 1.00 62.01 C ATOM 97 OH TYR A 7 12.703 -6.704 2.325 1.00 44.34 O ATOM 0 H TYR A 7 18.254 -5.031 -1.002 1.00 25.14 H new ATOM 0 HA TYR A 7 18.653 -4.614 1.905 1.00 12.15 H new ATOM 0 HB2 TYR A 7 18.461 -7.218 0.338 1.00 2.33 H new ATOM 0 HB3 TYR A 7 18.797 -7.087 2.053 1.00 2.33 H new ATOM 0 HD1 TYR A 7 16.828 -4.943 2.819 1.00 4.02 H new ATOM 0 HD2 TYR A 7 16.381 -8.344 0.290 1.00 4.32 H new ATOM 0 HE1 TYR A 7 14.421 -4.979 3.297 1.00 32.51 H new ATOM 0 HE2 TYR A 7 13.973 -8.380 0.762 1.00 13.13 H new ATOM 0 HH TYR A 7 12.535 -6.292 3.198 1.00 44.34 H new ATOM 107 N SER A 8 21.066 -5.759 1.754 1.00 33.43 N ATOM 108 CA SER A 8 22.515 -5.877 1.644 1.00 30.25 C ATOM 109 C SER A 8 22.977 -7.279 2.029 1.00 32.43 C ATOM 110 O SER A 8 22.538 -7.834 3.037 1.00 33.40 O ATOM 111 CB SER A 8 23.201 -4.840 2.535 1.00 1.41 C ATOM 112 OG SER A 8 22.572 -3.575 2.422 1.00 44.31 O ATOM 0 H SER A 8 20.684 -6.070 2.647 1.00 33.43 H new ATOM 0 HA SER A 8 22.792 -5.694 0.606 1.00 30.25 H new ATOM 0 HB2 SER A 8 23.173 -5.172 3.573 1.00 1.41 H new ATOM 0 HB3 SER A 8 24.251 -4.754 2.256 1.00 1.41 H new ATOM 0 HG SER A 8 23.028 -2.930 3.002 1.00 44.31 H new ATOM 118 N ILE A 9 23.865 -7.846 1.220 1.00 51.05 N ATOM 119 CA ILE A 9 24.387 -9.182 1.475 1.00 25.51 C ATOM 120 C ILE A 9 25.813 -9.324 0.953 1.00 61.42 C ATOM 121 O ILE A 9 26.112 -9.014 -0.200 1.00 41.44 O ATOM 122 CB ILE A 9 23.505 -10.265 0.827 1.00 60.53 C ATOM 123 CG1 ILE A 9 24.204 -11.625 0.883 1.00 22.24 C ATOM 124 CG2 ILE A 9 23.178 -9.891 -0.611 1.00 61.43 C ATOM 125 CD1 ILE A 9 23.339 -12.770 0.404 1.00 2.11 C ATOM 0 H ILE A 9 24.238 -7.400 0.382 1.00 51.05 H new ATOM 0 HA ILE A 9 24.383 -9.321 2.556 1.00 25.51 H new ATOM 0 HB ILE A 9 22.572 -10.334 1.386 1.00 60.53 H new ATOM 0 HG12 ILE A 9 25.108 -11.585 0.276 1.00 22.24 H new ATOM 0 HG13 ILE A 9 24.517 -11.821 1.908 1.00 22.24 H new ATOM 0 HG21 ILE A 9 22.554 -10.666 -1.056 1.00 61.43 H new ATOM 0 HG22 ILE A 9 22.644 -8.941 -0.627 1.00 61.43 H new ATOM 0 HG23 ILE A 9 24.102 -9.797 -1.182 1.00 61.43 H new ATOM 0 HD11 ILE A 9 23.899 -13.702 0.472 1.00 2.11 H new ATOM 0 HD12 ILE A 9 22.447 -12.837 1.026 1.00 2.11 H new ATOM 0 HD13 ILE A 9 23.047 -12.597 -0.632 1.00 2.11 H new ATOM 137 N PRO A 10 26.716 -9.807 1.820 1.00 54.01 N ATOM 138 CA PRO A 10 28.125 -10.004 1.468 1.00 51.10 C ATOM 139 C PRO A 10 28.321 -11.146 0.477 1.00 31.32 C ATOM 140 O PRO A 10 27.817 -12.250 0.682 1.00 54.14 O ATOM 141 CB PRO A 10 28.782 -10.341 2.809 1.00 13.41 C ATOM 142 CG PRO A 10 27.682 -10.912 3.636 1.00 24.22 C ATOM 143 CD PRO A 10 26.429 -10.198 3.210 1.00 24.14 C ATOM 0 HA PRO A 10 28.549 -9.127 0.978 1.00 51.10 H new ATOM 0 HB2 PRO A 10 29.595 -11.056 2.683 1.00 13.41 H new ATOM 0 HB3 PRO A 10 29.208 -9.453 3.276 1.00 13.41 H new ATOM 0 HG2 PRO A 10 27.592 -11.987 3.477 1.00 24.22 H new ATOM 0 HG3 PRO A 10 27.874 -10.762 4.698 1.00 24.22 H new ATOM 0 HD2 PRO A 10 25.555 -10.847 3.273 1.00 24.14 H new ATOM 0 HD3 PRO A 10 26.227 -9.330 3.838 1.00 24.14 H new ATOM 151 N GLU A 11 29.057 -10.873 -0.596 1.00 33.41 N ATOM 152 CA GLU A 11 29.318 -11.880 -1.618 1.00 42.21 C ATOM 153 C GLU A 11 29.767 -13.194 -0.985 1.00 72.15 C ATOM 154 O GLU A 11 30.358 -13.205 0.093 1.00 3.34 O ATOM 155 CB GLU A 11 30.385 -11.381 -2.595 1.00 71.22 C ATOM 156 CG GLU A 11 29.820 -10.581 -3.757 1.00 31.12 C ATOM 157 CD GLU A 11 30.641 -10.732 -5.023 1.00 14.10 C ATOM 158 OE1 GLU A 11 31.743 -10.149 -5.089 1.00 54.54 O ATOM 159 OE2 GLU A 11 30.180 -11.434 -5.948 1.00 22.15 O ATOM 0 H GLU A 11 29.482 -9.964 -0.780 1.00 33.41 H new ATOM 0 HA GLU A 11 28.391 -12.058 -2.163 1.00 42.21 H new ATOM 0 HB2 GLU A 11 31.101 -10.763 -2.053 1.00 71.22 H new ATOM 0 HB3 GLU A 11 30.935 -12.236 -2.987 1.00 71.22 H new ATOM 0 HG2 GLU A 11 28.797 -10.903 -3.951 1.00 31.12 H new ATOM 0 HG3 GLU A 11 29.776 -9.528 -3.481 1.00 31.12 H new ATOM 166 N GLU A 12 29.480 -14.300 -1.665 1.00 53.34 N ATOM 167 CA GLU A 12 29.852 -15.619 -1.169 1.00 63.32 C ATOM 168 C GLU A 12 29.129 -15.933 0.138 1.00 64.24 C ATOM 169 O GLU A 12 29.525 -16.834 0.877 1.00 12.21 O ATOM 170 CB GLU A 12 31.366 -15.701 -0.960 1.00 32.21 C ATOM 171 CG GLU A 12 31.909 -17.120 -0.995 1.00 2.24 C ATOM 172 CD GLU A 12 32.630 -17.500 0.284 1.00 35.05 C ATOM 173 OE1 GLU A 12 33.650 -16.857 0.605 1.00 44.51 O ATOM 174 OE2 GLU A 12 32.171 -18.442 0.965 1.00 4.31 O ATOM 0 H GLU A 12 28.991 -14.308 -2.560 1.00 53.34 H new ATOM 0 HA GLU A 12 29.555 -16.357 -1.914 1.00 63.32 H new ATOM 0 HB2 GLU A 12 31.863 -15.112 -1.730 1.00 32.21 H new ATOM 0 HB3 GLU A 12 31.617 -15.248 -0.001 1.00 32.21 H new ATOM 0 HG2 GLU A 12 31.087 -17.816 -1.165 1.00 2.24 H new ATOM 0 HG3 GLU A 12 32.593 -17.223 -1.838 1.00 2.24 H new ATOM 181 N ALA A 13 28.068 -15.183 0.415 1.00 41.22 N ATOM 182 CA ALA A 13 27.289 -15.381 1.631 1.00 71.24 C ATOM 183 C ALA A 13 26.785 -16.817 1.731 1.00 14.24 C ATOM 184 O ALA A 13 25.788 -17.181 1.107 1.00 32.13 O ATOM 185 CB ALA A 13 26.122 -14.406 1.675 1.00 41.43 C ATOM 0 H ALA A 13 27.728 -14.432 -0.186 1.00 41.22 H new ATOM 0 HA ALA A 13 27.939 -15.191 2.485 1.00 71.24 H new ATOM 0 HB1 ALA A 13 25.549 -14.565 2.588 1.00 41.43 H new ATOM 0 HB2 ALA A 13 26.501 -13.384 1.658 1.00 41.43 H new ATOM 0 HB3 ALA A 13 25.479 -14.569 0.810 1.00 41.43 H new ATOM 191 N LYS A 14 27.480 -17.629 2.520 1.00 33.04 N ATOM 192 CA LYS A 14 27.103 -19.026 2.704 1.00 12.50 C ATOM 193 C LYS A 14 25.626 -19.148 3.064 1.00 13.43 C ATOM 194 O LYS A 14 25.045 -18.241 3.662 1.00 3.04 O ATOM 195 CB LYS A 14 27.960 -19.667 3.797 1.00 1.04 C ATOM 196 CG LYS A 14 28.564 -21.000 3.393 1.00 65.43 C ATOM 197 CD LYS A 14 30.072 -20.902 3.226 1.00 54.23 C ATOM 198 CE LYS A 14 30.618 -22.057 2.400 1.00 14.32 C ATOM 199 NZ LYS A 14 32.105 -22.111 2.439 1.00 63.42 N ATOM 0 H LYS A 14 28.308 -17.344 3.043 1.00 33.04 H new ATOM 0 HA LYS A 14 27.274 -19.549 1.763 1.00 12.50 H new ATOM 0 HB2 LYS A 14 28.763 -18.981 4.067 1.00 1.04 H new ATOM 0 HB3 LYS A 14 27.350 -19.810 4.689 1.00 1.04 H new ATOM 0 HG2 LYS A 14 28.329 -21.751 4.148 1.00 65.43 H new ATOM 0 HG3 LYS A 14 28.115 -21.336 2.458 1.00 65.43 H new ATOM 0 HD2 LYS A 14 30.325 -19.957 2.744 1.00 54.23 H new ATOM 0 HD3 LYS A 14 30.548 -20.898 4.206 1.00 54.23 H new ATOM 0 HE2 LYS A 14 30.210 -22.996 2.774 1.00 14.32 H new ATOM 0 HE3 LYS A 14 30.285 -21.954 1.367 1.00 14.32 H new ATOM 0 HZ1 LYS A 14 32.439 -22.911 1.864 1.00 63.42 H new ATOM 0 HZ2 LYS A 14 32.495 -21.225 2.058 1.00 63.42 H new ATOM 0 HZ3 LYS A 14 32.422 -22.235 3.422 1.00 63.42 H new ATOM 213 N HIS A 15 25.023 -20.274 2.698 1.00 70.40 N ATOM 214 CA HIS A 15 23.613 -20.516 2.985 1.00 43.51 C ATOM 215 C HIS A 15 23.302 -20.234 4.452 1.00 73.42 C ATOM 216 O HIS A 15 23.986 -20.727 5.348 1.00 70.15 O ATOM 217 CB HIS A 15 23.240 -21.957 2.639 1.00 22.44 C ATOM 218 CG HIS A 15 21.763 -22.189 2.552 1.00 62.41 C ATOM 219 ND1 HIS A 15 20.882 -21.809 3.542 1.00 73.02 N ATOM 220 CD2 HIS A 15 21.013 -22.765 1.583 1.00 23.23 C ATOM 221 CE1 HIS A 15 19.654 -22.142 3.187 1.00 73.54 C ATOM 222 NE2 HIS A 15 19.706 -22.724 2.002 1.00 40.12 N ATOM 0 H HIS A 15 25.488 -21.034 2.202 1.00 70.40 H new ATOM 0 HA HIS A 15 23.020 -19.839 2.370 1.00 43.51 H new ATOM 0 HB2 HIS A 15 23.698 -22.223 1.686 1.00 22.44 H new ATOM 0 HB3 HIS A 15 23.660 -22.623 3.392 1.00 22.44 H new ATOM 0 HD2 HIS A 15 21.375 -23.179 0.654 1.00 23.23 H new ATOM 0 HE1 HIS A 15 18.760 -21.968 3.767 1.00 73.54 H new ATOM 0 HE2 HIS A 15 18.905 -23.084 1.483 1.00 40.12 H new ATOM 230 N GLY A 16 22.264 -19.438 4.689 1.00 12.14 N ATOM 231 CA GLY A 16 21.881 -19.104 6.049 1.00 74.42 C ATOM 232 C GLY A 16 22.241 -17.680 6.420 1.00 44.30 C ATOM 233 O GLY A 16 22.011 -17.246 7.549 1.00 33.34 O ATOM 0 H GLY A 16 21.682 -19.019 3.964 1.00 12.14 H new ATOM 0 HA2 GLY A 16 20.807 -19.246 6.166 1.00 74.42 H new ATOM 0 HA3 GLY A 16 22.370 -19.791 6.740 1.00 74.42 H new ATOM 237 N THR A 17 22.811 -16.948 5.468 1.00 44.24 N ATOM 238 CA THR A 17 23.208 -15.565 5.701 1.00 54.23 C ATOM 239 C THR A 17 22.033 -14.615 5.497 1.00 10.33 C ATOM 240 O THR A 17 21.377 -14.637 4.456 1.00 52.32 O ATOM 241 CB THR A 17 24.360 -15.146 4.768 1.00 14.31 C ATOM 242 OG1 THR A 17 25.523 -15.936 5.041 1.00 55.45 O ATOM 243 CG2 THR A 17 24.689 -13.671 4.944 1.00 23.13 C ATOM 0 H THR A 17 23.008 -17.290 4.528 1.00 44.24 H new ATOM 0 HA THR A 17 23.547 -15.503 6.735 1.00 54.23 H new ATOM 0 HB THR A 17 24.043 -15.311 3.738 1.00 14.31 H new ATOM 0 HG1 THR A 17 25.446 -16.800 4.584 1.00 55.45 H new ATOM 0 HG21 THR A 17 25.505 -13.398 4.275 1.00 23.13 H new ATOM 0 HG22 THR A 17 23.810 -13.071 4.707 1.00 23.13 H new ATOM 0 HG23 THR A 17 24.988 -13.485 5.976 1.00 23.13 H new ATOM 251 N PHE A 18 21.773 -13.780 6.498 1.00 31.12 N ATOM 252 CA PHE A 18 20.676 -12.821 6.429 1.00 63.32 C ATOM 253 C PHE A 18 20.971 -11.731 5.402 1.00 31.35 C ATOM 254 O PHE A 18 22.122 -11.338 5.211 1.00 14.30 O ATOM 255 CB PHE A 18 20.433 -12.192 7.802 1.00 22.12 C ATOM 256 CG PHE A 18 20.269 -10.700 7.757 1.00 13.13 C ATOM 257 CD1 PHE A 18 21.369 -9.865 7.866 1.00 0.22 C ATOM 258 CD2 PHE A 18 19.014 -10.132 7.606 1.00 70.24 C ATOM 259 CE1 PHE A 18 21.220 -8.491 7.826 1.00 62.30 C ATOM 260 CE2 PHE A 18 18.859 -8.759 7.564 1.00 30.32 C ATOM 261 CZ PHE A 18 19.964 -7.938 7.674 1.00 51.15 C ATOM 0 H PHE A 18 22.307 -13.748 7.367 1.00 31.12 H new ATOM 0 HA PHE A 18 19.778 -13.355 6.118 1.00 63.32 H new ATOM 0 HB2 PHE A 18 19.540 -12.635 8.243 1.00 22.12 H new ATOM 0 HB3 PHE A 18 21.268 -12.438 8.458 1.00 22.12 H new ATOM 0 HD1 PHE A 18 22.354 -10.292 7.984 1.00 0.22 H new ATOM 0 HD2 PHE A 18 18.147 -10.770 7.520 1.00 70.24 H new ATOM 0 HE1 PHE A 18 22.085 -7.851 7.914 1.00 62.30 H new ATOM 0 HE2 PHE A 18 17.875 -8.329 7.445 1.00 30.32 H new ATOM 0 HZ PHE A 18 19.846 -6.865 7.641 1.00 51.15 H new ATOM 271 N VAL A 19 19.922 -11.248 4.744 1.00 43.20 N ATOM 272 CA VAL A 19 20.067 -10.203 3.737 1.00 20.13 C ATOM 273 C VAL A 19 19.256 -8.966 4.108 1.00 23.52 C ATOM 274 O VAL A 19 19.737 -7.840 3.995 1.00 14.53 O ATOM 275 CB VAL A 19 19.623 -10.697 2.348 1.00 75.22 C ATOM 276 CG1 VAL A 19 19.749 -9.584 1.319 1.00 3.22 C ATOM 277 CG2 VAL A 19 20.434 -11.914 1.931 1.00 62.32 C ATOM 0 H VAL A 19 18.963 -11.563 4.890 1.00 43.20 H new ATOM 0 HA VAL A 19 21.125 -9.943 3.701 1.00 20.13 H new ATOM 0 HB VAL A 19 18.574 -10.990 2.404 1.00 75.22 H new ATOM 0 HG11 VAL A 19 19.431 -9.952 0.344 1.00 3.22 H new ATOM 0 HG12 VAL A 19 19.120 -8.744 1.613 1.00 3.22 H new ATOM 0 HG13 VAL A 19 20.787 -9.257 1.262 1.00 3.22 H new ATOM 0 HG21 VAL A 19 20.107 -12.250 0.947 1.00 62.32 H new ATOM 0 HG22 VAL A 19 21.491 -11.651 1.892 1.00 62.32 H new ATOM 0 HG23 VAL A 19 20.286 -12.715 2.655 1.00 62.32 H new ATOM 287 N GLY A 20 18.022 -9.186 4.552 1.00 3.44 N ATOM 288 CA GLY A 20 17.164 -8.079 4.934 1.00 72.51 C ATOM 289 C GLY A 20 15.850 -8.544 5.529 1.00 35.12 C ATOM 290 O GLY A 20 15.685 -9.723 5.844 1.00 61.05 O ATOM 0 H GLY A 20 17.602 -10.110 4.654 1.00 3.44 H new ATOM 0 HA2 GLY A 20 17.685 -7.452 5.657 1.00 72.51 H new ATOM 0 HA3 GLY A 20 16.965 -7.459 4.060 1.00 72.51 H new ATOM 294 N ARG A 21 14.912 -7.616 5.686 1.00 13.31 N ATOM 295 CA ARG A 21 13.606 -7.936 6.251 1.00 62.15 C ATOM 296 C ARG A 21 12.520 -7.870 5.181 1.00 63.24 C ATOM 297 O ARG A 21 12.041 -6.790 4.835 1.00 72.02 O ATOM 298 CB ARG A 21 13.271 -6.975 7.393 1.00 71.14 C ATOM 299 CG ARG A 21 14.433 -6.725 8.339 1.00 5.12 C ATOM 300 CD ARG A 21 13.968 -6.646 9.785 1.00 52.34 C ATOM 301 NE ARG A 21 15.049 -6.260 10.688 1.00 52.34 N ATOM 302 CZ ARG A 21 14.856 -5.893 11.950 1.00 44.23 C ATOM 303 NH1 ARG A 21 13.631 -5.863 12.455 1.00 2.44 N ATOM 304 NH2 ARG A 21 15.891 -5.556 12.709 1.00 41.41 N ATOM 0 H ARG A 21 15.032 -6.636 5.430 1.00 13.31 H new ATOM 0 HA ARG A 21 13.646 -8.953 6.641 1.00 62.15 H new ATOM 0 HB2 ARG A 21 12.945 -6.024 6.972 1.00 71.14 H new ATOM 0 HB3 ARG A 21 12.432 -7.377 7.960 1.00 71.14 H new ATOM 0 HG2 ARG A 21 15.167 -7.524 8.235 1.00 5.12 H new ATOM 0 HG3 ARG A 21 14.933 -5.796 8.065 1.00 5.12 H new ATOM 0 HD2 ARG A 21 13.154 -5.925 9.865 1.00 52.34 H new ATOM 0 HD3 ARG A 21 13.569 -7.613 10.091 1.00 52.34 H new ATOM 0 HE ARG A 21 16.004 -6.273 10.330 1.00 52.34 H new ATOM 0 HH11 ARG A 21 12.833 -6.122 11.874 1.00 2.44 H new ATOM 0 HH12 ARG A 21 13.486 -5.581 13.424 1.00 2.44 H new ATOM 0 HH21 ARG A 21 16.835 -5.579 12.323 1.00 41.41 H new ATOM 0 HH22 ARG A 21 15.743 -5.274 13.678 1.00 41.41 H new ATOM 318 N ILE A 22 12.138 -9.032 4.661 1.00 41.34 N ATOM 319 CA ILE A 22 11.109 -9.105 3.631 1.00 31.41 C ATOM 320 C ILE A 22 9.729 -8.818 4.212 1.00 53.30 C ATOM 321 O ILE A 22 8.941 -8.073 3.628 1.00 23.45 O ATOM 322 CB ILE A 22 11.090 -10.488 2.952 1.00 12.31 C ATOM 323 CG1 ILE A 22 9.987 -10.545 1.893 1.00 13.14 C ATOM 324 CG2 ILE A 22 10.894 -11.584 3.988 1.00 23.25 C ATOM 325 CD1 ILE A 22 10.075 -11.757 0.993 1.00 24.32 C ATOM 0 H ILE A 22 12.525 -9.935 4.936 1.00 41.34 H new ATOM 0 HA ILE A 22 11.352 -8.347 2.887 1.00 31.41 H new ATOM 0 HB ILE A 22 12.049 -10.648 2.460 1.00 12.31 H new ATOM 0 HG12 ILE A 22 9.017 -10.541 2.390 1.00 13.14 H new ATOM 0 HG13 ILE A 22 10.035 -9.644 1.281 1.00 13.14 H new ATOM 0 HG21 ILE A 22 10.883 -12.555 3.493 1.00 23.25 H new ATOM 0 HG22 ILE A 22 11.711 -11.554 4.709 1.00 23.25 H new ATOM 0 HG23 ILE A 22 9.947 -11.430 4.506 1.00 23.25 H new ATOM 0 HD11 ILE A 22 9.262 -11.731 0.267 1.00 24.32 H new ATOM 0 HD12 ILE A 22 11.030 -11.752 0.468 1.00 24.32 H new ATOM 0 HD13 ILE A 22 9.996 -12.663 1.594 1.00 24.32 H new ATOM 337 N ALA A 23 9.443 -9.412 5.366 1.00 11.40 N ATOM 338 CA ALA A 23 8.159 -9.216 6.028 1.00 23.15 C ATOM 339 C ALA A 23 8.048 -7.809 6.607 1.00 65.44 C ATOM 340 O ALA A 23 7.020 -7.149 6.462 1.00 21.11 O ATOM 341 CB ALA A 23 7.967 -10.255 7.123 1.00 74.30 C ATOM 0 H ALA A 23 10.083 -10.033 5.862 1.00 11.40 H new ATOM 0 HA ALA A 23 7.372 -9.337 5.284 1.00 23.15 H new ATOM 0 HB1 ALA A 23 7.004 -10.097 7.609 1.00 74.30 H new ATOM 0 HB2 ALA A 23 7.994 -11.253 6.686 1.00 74.30 H new ATOM 0 HB3 ALA A 23 8.765 -10.160 7.859 1.00 74.30 H new ATOM 347 N GLN A 24 9.113 -7.358 7.262 1.00 63.24 N ATOM 348 CA GLN A 24 9.134 -6.030 7.863 1.00 53.25 C ATOM 349 C GLN A 24 8.777 -4.962 6.834 1.00 12.41 C ATOM 350 O GLN A 24 7.899 -4.131 7.067 1.00 53.30 O ATOM 351 CB GLN A 24 10.511 -5.739 8.461 1.00 41.32 C ATOM 352 CG GLN A 24 10.502 -4.624 9.494 1.00 43.41 C ATOM 353 CD GLN A 24 10.342 -3.251 8.870 1.00 61.30 C ATOM 354 OE1 GLN A 24 9.462 -2.481 9.254 1.00 12.23 O ATOM 355 NE2 GLN A 24 11.195 -2.938 7.901 1.00 14.24 N ATOM 0 H GLN A 24 9.972 -7.893 7.390 1.00 63.24 H new ATOM 0 HA GLN A 24 8.389 -6.007 8.658 1.00 53.25 H new ATOM 0 HB2 GLN A 24 10.897 -6.648 8.923 1.00 41.32 H new ATOM 0 HB3 GLN A 24 11.198 -5.473 7.658 1.00 41.32 H new ATOM 0 HG2 GLN A 24 9.689 -4.795 10.200 1.00 43.41 H new ATOM 0 HG3 GLN A 24 11.431 -4.654 10.063 1.00 43.41 H new ATOM 0 HE21 GLN A 24 11.909 -3.607 7.614 1.00 14.24 H new ATOM 0 HE22 GLN A 24 11.136 -2.028 7.444 1.00 14.24 H new ATOM 364 N ASP A 25 9.463 -4.989 5.697 1.00 23.32 N ATOM 365 CA ASP A 25 9.218 -4.024 4.632 1.00 3.43 C ATOM 366 C ASP A 25 7.894 -4.311 3.932 1.00 61.41 C ATOM 367 O ASP A 25 7.416 -3.507 3.131 1.00 73.45 O ATOM 368 CB ASP A 25 10.363 -4.050 3.618 1.00 55.13 C ATOM 369 CG ASP A 25 11.650 -3.481 4.182 1.00 55.23 C ATOM 370 OD1 ASP A 25 11.730 -2.246 4.346 1.00 14.33 O ATOM 371 OD2 ASP A 25 12.577 -4.270 4.458 1.00 62.45 O ATOM 0 H ASP A 25 10.194 -5.669 5.489 1.00 23.32 H new ATOM 0 HA ASP A 25 9.163 -3.032 5.080 1.00 3.43 H new ATOM 0 HB2 ASP A 25 10.534 -5.077 3.294 1.00 55.13 H new ATOM 0 HB3 ASP A 25 10.074 -3.481 2.734 1.00 55.13 H new ATOM 376 N LEU A 26 7.307 -5.463 4.238 1.00 12.11 N ATOM 377 CA LEU A 26 6.038 -5.858 3.637 1.00 34.03 C ATOM 378 C LEU A 26 4.861 -5.337 4.457 1.00 45.11 C ATOM 379 O LEU A 26 3.849 -4.909 3.905 1.00 14.35 O ATOM 380 CB LEU A 26 5.958 -7.381 3.521 1.00 31.22 C ATOM 381 CG LEU A 26 6.049 -7.952 2.106 1.00 64.23 C ATOM 382 CD1 LEU A 26 7.216 -7.330 1.353 1.00 34.15 C ATOM 383 CD2 LEU A 26 6.188 -9.467 2.150 1.00 51.04 C ATOM 0 H LEU A 26 7.689 -6.140 4.899 1.00 12.11 H new ATOM 0 HA LEU A 26 5.985 -5.420 2.640 1.00 34.03 H new ATOM 0 HB2 LEU A 26 6.761 -7.813 4.118 1.00 31.22 H new ATOM 0 HB3 LEU A 26 5.018 -7.710 3.964 1.00 31.22 H new ATOM 0 HG LEU A 26 5.129 -7.706 1.576 1.00 64.23 H new ATOM 0 HD11 LEU A 26 7.265 -7.749 0.348 1.00 34.15 H new ATOM 0 HD12 LEU A 26 7.075 -6.251 1.290 1.00 34.15 H new ATOM 0 HD13 LEU A 26 8.145 -7.544 1.881 1.00 34.15 H new ATOM 0 HD21 LEU A 26 6.251 -9.856 1.134 1.00 51.04 H new ATOM 0 HD22 LEU A 26 7.092 -9.734 2.698 1.00 51.04 H new ATOM 0 HD23 LEU A 26 5.320 -9.898 2.650 1.00 51.04 H new ATOM 395 N GLY A 27 5.005 -5.375 5.778 1.00 15.24 N ATOM 396 CA GLY A 27 3.947 -4.901 6.653 1.00 65.52 C ATOM 397 C GLY A 27 2.870 -5.944 6.876 1.00 12.34 C ATOM 398 O GLY A 27 1.832 -5.656 7.474 1.00 31.33 O ATOM 0 H GLY A 27 5.834 -5.725 6.258 1.00 15.24 H new ATOM 0 HA2 GLY A 27 4.375 -4.614 7.613 1.00 65.52 H new ATOM 0 HA3 GLY A 27 3.498 -4.005 6.223 1.00 65.52 H new ATOM 402 N LEU A 28 3.114 -7.157 6.394 1.00 32.35 N ATOM 403 CA LEU A 28 2.155 -8.247 6.543 1.00 10.33 C ATOM 404 C LEU A 28 2.405 -9.019 7.835 1.00 73.34 C ATOM 405 O LEU A 28 3.475 -8.917 8.433 1.00 50.42 O ATOM 406 CB LEU A 28 2.239 -9.193 5.345 1.00 72.52 C ATOM 407 CG LEU A 28 2.421 -8.532 3.978 1.00 14.12 C ATOM 408 CD1 LEU A 28 3.120 -9.479 3.016 1.00 44.33 C ATOM 409 CD2 LEU A 28 1.077 -8.093 3.415 1.00 34.21 C ATOM 0 H LEU A 28 3.967 -7.411 5.897 1.00 32.35 H new ATOM 0 HA LEU A 28 1.155 -7.816 6.587 1.00 10.33 H new ATOM 0 HB2 LEU A 28 3.070 -9.880 5.508 1.00 72.52 H new ATOM 0 HB3 LEU A 28 1.330 -9.794 5.318 1.00 72.52 H new ATOM 0 HG LEU A 28 3.046 -7.648 4.104 1.00 14.12 H new ATOM 0 HD11 LEU A 28 3.241 -8.991 2.049 1.00 44.33 H new ATOM 0 HD12 LEU A 28 4.100 -9.744 3.414 1.00 44.33 H new ATOM 0 HD13 LEU A 28 2.521 -10.382 2.895 1.00 44.33 H new ATOM 0 HD21 LEU A 28 1.226 -7.625 2.442 1.00 34.21 H new ATOM 0 HD22 LEU A 28 0.428 -8.961 3.304 1.00 34.21 H new ATOM 0 HD23 LEU A 28 0.614 -7.378 4.095 1.00 34.21 H new ATOM 421 N GLU A 29 1.410 -9.794 8.257 1.00 50.34 N ATOM 422 CA GLU A 29 1.523 -10.585 9.476 1.00 4.34 C ATOM 423 C GLU A 29 2.299 -11.873 9.219 1.00 21.41 C ATOM 424 O GLU A 29 1.888 -12.709 8.413 1.00 55.21 O ATOM 425 CB GLU A 29 0.135 -10.914 10.028 1.00 13.12 C ATOM 426 CG GLU A 29 -0.508 -9.763 10.784 1.00 75.30 C ATOM 427 CD GLU A 29 0.116 -9.540 12.148 1.00 53.23 C ATOM 428 OE1 GLU A 29 1.177 -8.885 12.215 1.00 13.02 O ATOM 429 OE2 GLU A 29 -0.458 -10.020 13.148 1.00 62.22 O ATOM 0 H GLU A 29 0.518 -9.890 7.773 1.00 50.34 H new ATOM 0 HA GLU A 29 2.068 -9.994 10.212 1.00 4.34 H new ATOM 0 HB2 GLU A 29 -0.515 -11.204 9.203 1.00 13.12 H new ATOM 0 HB3 GLU A 29 0.212 -11.775 10.691 1.00 13.12 H new ATOM 0 HG2 GLU A 29 -0.419 -8.851 10.194 1.00 75.30 H new ATOM 0 HG3 GLU A 29 -1.573 -9.962 10.904 1.00 75.30 H new ATOM 436 N LEU A 30 3.424 -12.027 9.909 1.00 32.50 N ATOM 437 CA LEU A 30 4.259 -13.214 9.756 1.00 52.11 C ATOM 438 C LEU A 30 3.515 -14.466 10.210 1.00 10.43 C ATOM 439 O LEU A 30 3.830 -15.578 9.784 1.00 15.55 O ATOM 440 CB LEU A 30 5.553 -13.057 10.556 1.00 62.31 C ATOM 441 CG LEU A 30 6.804 -12.710 9.748 1.00 52.23 C ATOM 442 CD1 LEU A 30 7.642 -11.674 10.481 1.00 63.24 C ATOM 443 CD2 LEU A 30 7.623 -13.961 9.468 1.00 21.44 C ATOM 0 H LEU A 30 3.779 -11.345 10.580 1.00 32.50 H new ATOM 0 HA LEU A 30 4.503 -13.323 8.699 1.00 52.11 H new ATOM 0 HB2 LEU A 30 5.401 -12.280 11.305 1.00 62.31 H new ATOM 0 HB3 LEU A 30 5.739 -13.986 11.094 1.00 62.31 H new ATOM 0 HG LEU A 30 6.491 -12.285 8.794 1.00 52.23 H new ATOM 0 HD11 LEU A 30 8.528 -11.439 9.891 1.00 63.24 H new ATOM 0 HD12 LEU A 30 7.054 -10.768 10.628 1.00 63.24 H new ATOM 0 HD13 LEU A 30 7.946 -12.071 11.450 1.00 63.24 H new ATOM 0 HD21 LEU A 30 8.509 -13.694 8.892 1.00 21.44 H new ATOM 0 HD22 LEU A 30 7.926 -14.416 10.411 1.00 21.44 H new ATOM 0 HD23 LEU A 30 7.021 -14.670 8.900 1.00 21.44 H new ATOM 455 N THR A 31 2.524 -14.277 11.077 1.00 64.51 N ATOM 456 CA THR A 31 1.735 -15.390 11.588 1.00 33.44 C ATOM 457 C THR A 31 0.611 -15.755 10.626 1.00 74.45 C ATOM 458 O THR A 31 -0.201 -16.635 10.911 1.00 54.24 O ATOM 459 CB THR A 31 1.129 -15.063 12.966 1.00 11.12 C ATOM 460 OG1 THR A 31 0.487 -16.223 13.508 1.00 65.14 O ATOM 461 CG2 THR A 31 0.124 -13.925 12.859 1.00 25.43 C ATOM 0 H THR A 31 2.250 -13.364 11.439 1.00 64.51 H new ATOM 0 HA THR A 31 2.413 -16.237 11.689 1.00 33.44 H new ATOM 0 HB THR A 31 1.937 -14.753 13.629 1.00 11.12 H new ATOM 0 HG1 THR A 31 0.078 -16.740 12.782 1.00 65.14 H new ATOM 0 HG21 THR A 31 -0.291 -13.712 13.844 1.00 25.43 H new ATOM 0 HG22 THR A 31 0.622 -13.035 12.475 1.00 25.43 H new ATOM 0 HG23 THR A 31 -0.680 -14.212 12.181 1.00 25.43 H new ATOM 469 N GLU A 32 0.571 -15.074 9.484 1.00 34.54 N ATOM 470 CA GLU A 32 -0.455 -15.328 8.480 1.00 73.43 C ATOM 471 C GLU A 32 0.174 -15.599 7.116 1.00 51.40 C ATOM 472 O GLU A 32 -0.513 -15.608 6.094 1.00 40.05 O ATOM 473 CB GLU A 32 -1.413 -14.139 8.385 1.00 33.10 C ATOM 474 CG GLU A 32 -2.208 -13.895 9.657 1.00 42.30 C ATOM 475 CD GLU A 32 -2.978 -15.120 10.108 1.00 20.43 C ATOM 476 OE1 GLU A 32 -3.770 -15.652 9.303 1.00 73.35 O ATOM 477 OE2 GLU A 32 -2.789 -15.548 11.266 1.00 10.53 O ATOM 0 H GLU A 32 1.237 -14.343 9.232 1.00 34.54 H new ATOM 0 HA GLU A 32 -1.015 -16.212 8.785 1.00 73.43 H new ATOM 0 HB2 GLU A 32 -0.842 -13.242 8.145 1.00 33.10 H new ATOM 0 HB3 GLU A 32 -2.106 -14.306 7.560 1.00 33.10 H new ATOM 0 HG2 GLU A 32 -1.529 -13.585 10.451 1.00 42.30 H new ATOM 0 HG3 GLU A 32 -2.904 -13.073 9.493 1.00 42.30 H new ATOM 484 N LEU A 33 1.484 -15.817 7.109 1.00 61.34 N ATOM 485 CA LEU A 33 2.208 -16.087 5.871 1.00 73.30 C ATOM 486 C LEU A 33 1.778 -17.421 5.268 1.00 14.15 C ATOM 487 O LEU A 33 1.572 -17.531 4.060 1.00 53.53 O ATOM 488 CB LEU A 33 3.715 -16.094 6.130 1.00 64.13 C ATOM 489 CG LEU A 33 4.352 -14.736 6.426 1.00 53.45 C ATOM 490 CD1 LEU A 33 5.698 -14.914 7.109 1.00 23.54 C ATOM 491 CD2 LEU A 33 4.505 -13.928 5.145 1.00 61.22 C ATOM 0 H LEU A 33 2.067 -15.812 7.946 1.00 61.34 H new ATOM 0 HA LEU A 33 1.971 -15.295 5.161 1.00 73.30 H new ATOM 0 HB2 LEU A 33 3.916 -16.758 6.971 1.00 64.13 H new ATOM 0 HB3 LEU A 33 4.211 -16.523 5.259 1.00 64.13 H new ATOM 0 HG LEU A 33 3.695 -14.189 7.102 1.00 53.45 H new ATOM 0 HD11 LEU A 33 6.135 -13.936 7.311 1.00 23.54 H new ATOM 0 HD12 LEU A 33 5.562 -15.452 8.047 1.00 23.54 H new ATOM 0 HD13 LEU A 33 6.364 -15.482 6.459 1.00 23.54 H new ATOM 0 HD21 LEU A 33 4.960 -12.965 5.375 1.00 61.22 H new ATOM 0 HD22 LEU A 33 5.140 -14.472 4.446 1.00 61.22 H new ATOM 0 HD23 LEU A 33 3.525 -13.768 4.696 1.00 61.22 H new ATOM 503 N VAL A 34 1.642 -18.433 6.120 1.00 54.32 N ATOM 504 CA VAL A 34 1.232 -19.759 5.672 1.00 4.44 C ATOM 505 C VAL A 34 -0.059 -19.692 4.865 1.00 14.15 C ATOM 506 O VAL A 34 -0.121 -20.111 3.709 1.00 3.43 O ATOM 507 CB VAL A 34 1.033 -20.716 6.862 1.00 15.25 C ATOM 508 CG1 VAL A 34 -0.041 -21.745 6.545 1.00 33.34 C ATOM 509 CG2 VAL A 34 2.344 -21.396 7.225 1.00 42.30 C ATOM 0 H VAL A 34 1.810 -18.360 7.123 1.00 54.32 H new ATOM 0 HA VAL A 34 2.032 -20.141 5.038 1.00 4.44 H new ATOM 0 HB VAL A 34 0.703 -20.134 7.722 1.00 15.25 H new ATOM 0 HG11 VAL A 34 -0.168 -22.413 7.397 1.00 33.34 H new ATOM 0 HG12 VAL A 34 -0.983 -21.236 6.339 1.00 33.34 H new ATOM 0 HG13 VAL A 34 0.257 -22.325 5.671 1.00 33.34 H new ATOM 0 HG21 VAL A 34 2.184 -22.068 8.068 1.00 42.30 H new ATOM 0 HG22 VAL A 34 2.707 -21.966 6.370 1.00 42.30 H new ATOM 0 HG23 VAL A 34 3.082 -20.642 7.498 1.00 42.30 H new ATOM 519 N PRO A 35 -1.118 -19.152 5.487 1.00 33.54 N ATOM 520 CA PRO A 35 -2.429 -19.017 4.845 1.00 10.22 C ATOM 521 C PRO A 35 -2.425 -17.972 3.735 1.00 52.32 C ATOM 522 O PRO A 35 -3.334 -17.931 2.905 1.00 3.30 O ATOM 523 CB PRO A 35 -3.342 -18.575 5.992 1.00 62.21 C ATOM 524 CG PRO A 35 -2.432 -17.910 6.966 1.00 42.54 C ATOM 525 CD PRO A 35 -1.117 -18.633 6.865 1.00 13.12 C ATOM 0 HA PRO A 35 -2.744 -19.943 4.363 1.00 10.22 H new ATOM 0 HB2 PRO A 35 -4.115 -17.891 5.642 1.00 62.21 H new ATOM 0 HB3 PRO A 35 -3.851 -19.427 6.444 1.00 62.21 H new ATOM 0 HG2 PRO A 35 -2.315 -16.852 6.731 1.00 42.54 H new ATOM 0 HG3 PRO A 35 -2.833 -17.969 7.978 1.00 42.54 H new ATOM 0 HD2 PRO A 35 -0.276 -17.963 7.041 1.00 13.12 H new ATOM 0 HD3 PRO A 35 -1.043 -19.437 7.597 1.00 13.12 H new ATOM 533 N ARG A 36 -1.398 -17.129 3.725 1.00 25.12 N ATOM 534 CA ARG A 36 -1.276 -16.083 2.717 1.00 74.34 C ATOM 535 C ARG A 36 -0.542 -16.600 1.483 1.00 4.02 C ATOM 536 O ARG A 36 -0.229 -15.837 0.569 1.00 44.45 O ATOM 537 CB ARG A 36 -0.540 -14.873 3.293 1.00 43.45 C ATOM 538 CG ARG A 36 -1.451 -13.888 4.007 1.00 30.54 C ATOM 539 CD ARG A 36 -0.653 -12.810 4.724 1.00 35.22 C ATOM 540 NE ARG A 36 -1.517 -11.876 5.441 1.00 52.55 N ATOM 541 CZ ARG A 36 -2.225 -10.923 4.843 1.00 62.30 C ATOM 542 NH1 ARG A 36 -2.172 -10.781 3.526 1.00 43.11 N ATOM 543 NH2 ARG A 36 -2.988 -10.111 5.563 1.00 31.33 N ATOM 0 H ARG A 36 -0.638 -17.150 4.404 1.00 25.12 H new ATOM 0 HA ARG A 36 -2.280 -15.780 2.420 1.00 74.34 H new ATOM 0 HB2 ARG A 36 0.222 -15.220 3.990 1.00 43.45 H new ATOM 0 HB3 ARG A 36 -0.022 -14.356 2.486 1.00 43.45 H new ATOM 0 HG2 ARG A 36 -2.124 -13.425 3.286 1.00 30.54 H new ATOM 0 HG3 ARG A 36 -2.073 -14.421 4.726 1.00 30.54 H new ATOM 0 HD2 ARG A 36 0.038 -13.277 5.426 1.00 35.22 H new ATOM 0 HD3 ARG A 36 -0.050 -12.263 3.999 1.00 35.22 H new ATOM 0 HE ARG A 36 -1.581 -11.959 6.456 1.00 52.55 H new ATOM 0 HH11 ARG A 36 -1.587 -11.404 2.969 1.00 43.11 H new ATOM 0 HH12 ARG A 36 -2.716 -10.049 3.070 1.00 43.11 H new ATOM 0 HH21 ARG A 36 -3.032 -10.218 6.576 1.00 31.33 H new ATOM 0 HH22 ARG A 36 -3.531 -9.380 5.103 1.00 31.33 H new ATOM 557 N LEU A 37 -0.269 -17.900 1.465 1.00 3.10 N ATOM 558 CA LEU A 37 0.430 -18.519 0.344 1.00 20.42 C ATOM 559 C LEU A 37 1.674 -17.720 -0.031 1.00 21.54 C ATOM 560 O LEU A 37 1.836 -17.305 -1.178 1.00 74.24 O ATOM 561 CB LEU A 37 -0.501 -18.631 -0.864 1.00 75.20 C ATOM 562 CG LEU A 37 -0.350 -19.894 -1.714 1.00 14.45 C ATOM 563 CD1 LEU A 37 1.083 -20.042 -2.199 1.00 23.24 C ATOM 564 CD2 LEU A 37 -0.778 -21.122 -0.924 1.00 73.10 C ATOM 0 H LEU A 37 -0.521 -18.546 2.213 1.00 3.10 H new ATOM 0 HA LEU A 37 0.741 -19.518 0.649 1.00 20.42 H new ATOM 0 HB2 LEU A 37 -1.531 -18.576 -0.510 1.00 75.20 H new ATOM 0 HB3 LEU A 37 -0.338 -17.764 -1.505 1.00 75.20 H new ATOM 0 HG LEU A 37 -0.999 -19.803 -2.585 1.00 14.45 H new ATOM 0 HD11 LEU A 37 1.172 -20.946 -2.802 1.00 23.24 H new ATOM 0 HD12 LEU A 37 1.354 -19.175 -2.802 1.00 23.24 H new ATOM 0 HD13 LEU A 37 1.752 -20.111 -1.341 1.00 23.24 H new ATOM 0 HD21 LEU A 37 -0.664 -22.011 -1.544 1.00 73.10 H new ATOM 0 HD22 LEU A 37 -0.155 -21.218 -0.034 1.00 73.10 H new ATOM 0 HD23 LEU A 37 -1.822 -21.018 -0.627 1.00 73.10 H new ATOM 576 N PHE A 38 2.552 -17.511 0.945 1.00 42.45 N ATOM 577 CA PHE A 38 3.783 -16.763 0.717 1.00 41.41 C ATOM 578 C PHE A 38 4.814 -17.621 -0.011 1.00 3.55 C ATOM 579 O PHE A 38 5.144 -18.721 0.431 1.00 24.13 O ATOM 580 CB PHE A 38 4.359 -16.270 2.046 1.00 21.43 C ATOM 581 CG PHE A 38 5.172 -15.014 1.919 1.00 41.12 C ATOM 582 CD1 PHE A 38 4.561 -13.771 1.952 1.00 74.01 C ATOM 583 CD2 PHE A 38 6.548 -15.076 1.765 1.00 13.33 C ATOM 584 CE1 PHE A 38 5.306 -12.613 1.835 1.00 12.33 C ATOM 585 CE2 PHE A 38 7.298 -13.921 1.649 1.00 41.04 C ATOM 586 CZ PHE A 38 6.676 -12.688 1.682 1.00 23.14 C ATOM 0 H PHE A 38 2.434 -17.849 1.900 1.00 42.45 H new ATOM 0 HA PHE A 38 3.545 -15.903 0.091 1.00 41.41 H new ATOM 0 HB2 PHE A 38 3.541 -16.094 2.744 1.00 21.43 H new ATOM 0 HB3 PHE A 38 4.982 -17.054 2.476 1.00 21.43 H new ATOM 0 HD1 PHE A 38 3.489 -13.706 2.071 1.00 74.01 H new ATOM 0 HD2 PHE A 38 7.039 -16.037 1.735 1.00 13.33 H new ATOM 0 HE1 PHE A 38 4.817 -11.650 1.863 1.00 12.33 H new ATOM 0 HE2 PHE A 38 8.370 -13.982 1.533 1.00 41.04 H new ATOM 0 HZ PHE A 38 7.260 -11.785 1.588 1.00 23.14 H new ATOM 596 N ARG A 39 5.318 -17.108 -1.128 1.00 64.45 N ATOM 597 CA ARG A 39 6.310 -17.827 -1.919 1.00 24.53 C ATOM 598 C ARG A 39 7.324 -16.863 -2.527 1.00 3.23 C ATOM 599 O ARG A 39 7.046 -15.675 -2.690 1.00 41.23 O ATOM 600 CB ARG A 39 5.626 -18.630 -3.027 1.00 23.32 C ATOM 601 CG ARG A 39 6.059 -20.086 -3.080 1.00 21.42 C ATOM 602 CD ARG A 39 5.672 -20.735 -4.400 1.00 1.13 C ATOM 603 NE ARG A 39 4.233 -20.964 -4.496 1.00 30.55 N ATOM 604 CZ ARG A 39 3.661 -21.640 -5.486 1.00 51.21 C ATOM 605 NH1 ARG A 39 4.402 -22.150 -6.460 1.00 41.40 N ATOM 606 NH2 ARG A 39 2.345 -21.807 -5.503 1.00 54.33 N ATOM 0 H ARG A 39 5.056 -16.198 -1.506 1.00 64.45 H new ATOM 0 HA ARG A 39 6.838 -18.512 -1.256 1.00 24.53 H new ATOM 0 HB2 ARG A 39 4.547 -18.586 -2.883 1.00 23.32 H new ATOM 0 HB3 ARG A 39 5.839 -18.161 -3.988 1.00 23.32 H new ATOM 0 HG2 ARG A 39 7.139 -20.151 -2.944 1.00 21.42 H new ATOM 0 HG3 ARG A 39 5.601 -20.633 -2.256 1.00 21.42 H new ATOM 0 HD2 ARG A 39 5.994 -20.099 -5.225 1.00 1.13 H new ATOM 0 HD3 ARG A 39 6.198 -21.684 -4.505 1.00 1.13 H new ATOM 0 HE ARG A 39 3.634 -20.584 -3.763 1.00 30.55 H new ATOM 0 HH11 ARG A 39 5.414 -22.024 -6.450 1.00 41.40 H new ATOM 0 HH12 ARG A 39 3.960 -22.669 -7.219 1.00 41.40 H new ATOM 0 HH21 ARG A 39 1.772 -21.416 -4.755 1.00 54.33 H new ATOM 0 HH22 ARG A 39 1.907 -22.326 -6.264 1.00 54.33 H new ATOM 620 N VAL A 40 8.502 -17.382 -2.859 1.00 71.22 N ATOM 621 CA VAL A 40 9.557 -16.568 -3.449 1.00 45.34 C ATOM 622 C VAL A 40 10.113 -17.218 -4.711 1.00 70.33 C ATOM 623 O VAL A 40 10.334 -18.428 -4.752 1.00 71.24 O ATOM 624 CB VAL A 40 10.710 -16.336 -2.454 1.00 42.15 C ATOM 625 CG1 VAL A 40 11.753 -15.404 -3.053 1.00 14.44 C ATOM 626 CG2 VAL A 40 10.177 -15.781 -1.142 1.00 62.31 C ATOM 0 H VAL A 40 8.749 -18.363 -2.729 1.00 71.22 H new ATOM 0 HA VAL A 40 9.109 -15.608 -3.706 1.00 45.34 H new ATOM 0 HB VAL A 40 11.189 -17.294 -2.249 1.00 42.15 H new ATOM 0 HG11 VAL A 40 12.560 -15.252 -2.336 1.00 14.44 H new ATOM 0 HG12 VAL A 40 12.156 -15.846 -3.964 1.00 14.44 H new ATOM 0 HG13 VAL A 40 11.291 -14.445 -3.289 1.00 14.44 H new ATOM 0 HG21 VAL A 40 11.005 -15.623 -0.451 1.00 62.31 H new ATOM 0 HG22 VAL A 40 9.672 -14.833 -1.326 1.00 62.31 H new ATOM 0 HG23 VAL A 40 9.471 -16.489 -0.707 1.00 62.31 H new ATOM 636 N ALA A 41 10.337 -16.407 -5.739 1.00 41.54 N ATOM 637 CA ALA A 41 10.869 -16.902 -7.002 1.00 65.54 C ATOM 638 C ALA A 41 11.766 -15.863 -7.666 1.00 43.02 C ATOM 639 O ALA A 41 11.963 -14.770 -7.136 1.00 51.40 O ATOM 640 CB ALA A 41 9.734 -17.296 -7.936 1.00 10.23 C ATOM 0 H ALA A 41 10.158 -15.403 -5.722 1.00 41.54 H new ATOM 0 HA ALA A 41 11.474 -17.784 -6.791 1.00 65.54 H new ATOM 0 HB1 ALA A 41 10.147 -17.664 -8.875 1.00 10.23 H new ATOM 0 HB2 ALA A 41 9.136 -18.080 -7.471 1.00 10.23 H new ATOM 0 HB3 ALA A 41 9.105 -16.427 -8.131 1.00 10.23 H new ATOM 646 N SER A 42 12.308 -16.212 -8.829 1.00 4.54 N ATOM 647 CA SER A 42 13.188 -15.310 -9.563 1.00 5.23 C ATOM 648 C SER A 42 13.307 -15.735 -11.023 1.00 33.40 C ATOM 649 O SER A 42 13.067 -16.893 -11.366 1.00 73.22 O ATOM 650 CB SER A 42 14.574 -15.277 -8.915 1.00 43.34 C ATOM 651 OG SER A 42 15.508 -16.028 -9.672 1.00 4.54 O ATOM 0 H SER A 42 12.153 -17.112 -9.283 1.00 4.54 H new ATOM 0 HA SER A 42 12.754 -14.311 -9.528 1.00 5.23 H new ATOM 0 HB2 SER A 42 14.915 -14.245 -8.831 1.00 43.34 H new ATOM 0 HB3 SER A 42 14.516 -15.677 -7.903 1.00 43.34 H new ATOM 0 HG SER A 42 16.165 -16.435 -9.070 1.00 4.54 H new ATOM 657 N LYS A 43 13.679 -14.790 -11.880 1.00 35.42 N ATOM 658 CA LYS A 43 13.831 -15.065 -13.304 1.00 13.23 C ATOM 659 C LYS A 43 15.219 -15.619 -13.606 1.00 23.25 C ATOM 660 O LYS A 43 15.571 -15.840 -14.764 1.00 62.53 O ATOM 661 CB LYS A 43 13.590 -13.792 -14.118 1.00 3.50 C ATOM 662 CG LYS A 43 12.161 -13.646 -14.611 1.00 0.41 C ATOM 663 CD LYS A 43 11.903 -14.506 -15.837 1.00 4.32 C ATOM 664 CE LYS A 43 10.477 -14.346 -16.340 1.00 31.22 C ATOM 665 NZ LYS A 43 10.433 -13.752 -17.705 1.00 1.15 N ATOM 0 H LYS A 43 13.881 -13.826 -11.613 1.00 35.42 H new ATOM 0 HA LYS A 43 13.091 -15.815 -13.585 1.00 13.23 H new ATOM 0 HB2 LYS A 43 13.845 -12.926 -13.507 1.00 3.50 H new ATOM 0 HB3 LYS A 43 14.263 -13.786 -14.975 1.00 3.50 H new ATOM 0 HG2 LYS A 43 11.470 -13.928 -13.816 1.00 0.41 H new ATOM 0 HG3 LYS A 43 11.963 -12.601 -14.850 1.00 0.41 H new ATOM 0 HD2 LYS A 43 12.602 -14.233 -16.628 1.00 4.32 H new ATOM 0 HD3 LYS A 43 12.089 -15.552 -15.595 1.00 4.32 H new ATOM 0 HE2 LYS A 43 9.985 -15.318 -16.351 1.00 31.22 H new ATOM 0 HE3 LYS A 43 9.918 -13.714 -15.651 1.00 31.22 H new ATOM 0 HZ1 LYS A 43 9.444 -13.659 -18.012 1.00 1.15 H new ATOM 0 HZ2 LYS A 43 10.880 -12.813 -17.690 1.00 1.15 H new ATOM 0 HZ3 LYS A 43 10.945 -14.368 -18.368 1.00 1.15 H new ATOM 679 N ASP A 44 16.003 -15.843 -12.556 1.00 51.34 N ATOM 680 CA ASP A 44 17.352 -16.374 -12.709 1.00 63.13 C ATOM 681 C ASP A 44 17.365 -17.888 -12.522 1.00 14.05 C ATOM 682 O ASP A 44 17.452 -18.643 -13.490 1.00 43.21 O ATOM 683 CB ASP A 44 18.300 -15.715 -11.705 1.00 73.53 C ATOM 684 CG ASP A 44 18.535 -14.249 -12.008 1.00 3.21 C ATOM 685 OD1 ASP A 44 17.600 -13.445 -11.811 1.00 61.23 O ATOM 686 OD2 ASP A 44 19.655 -13.905 -12.442 1.00 53.52 O ATOM 0 H ASP A 44 15.727 -15.665 -11.590 1.00 51.34 H new ATOM 0 HA ASP A 44 17.692 -16.148 -13.720 1.00 63.13 H new ATOM 0 HB2 ASP A 44 17.887 -15.814 -10.701 1.00 73.53 H new ATOM 0 HB3 ASP A 44 19.254 -16.242 -11.711 1.00 73.53 H new ATOM 691 N ARG A 45 17.277 -18.325 -11.269 1.00 43.53 N ATOM 692 CA ARG A 45 17.281 -19.748 -10.954 1.00 72.05 C ATOM 693 C ARG A 45 15.982 -20.156 -10.265 1.00 0.51 C ATOM 694 O ARG A 45 15.640 -21.336 -10.210 1.00 61.03 O ATOM 695 CB ARG A 45 18.474 -20.092 -10.061 1.00 44.45 C ATOM 696 CG ARG A 45 19.545 -20.911 -10.764 1.00 51.41 C ATOM 697 CD ARG A 45 19.584 -22.339 -10.244 1.00 60.25 C ATOM 698 NE ARG A 45 20.288 -23.235 -11.158 1.00 43.20 N ATOM 699 CZ ARG A 45 19.738 -23.751 -12.251 1.00 51.13 C ATOM 700 NH1 ARG A 45 18.483 -23.461 -12.566 1.00 32.35 N ATOM 701 NH2 ARG A 45 20.443 -24.558 -13.033 1.00 64.20 N ATOM 0 H ARG A 45 17.202 -17.713 -10.456 1.00 43.53 H new ATOM 0 HA ARG A 45 17.365 -20.301 -11.890 1.00 72.05 H new ATOM 0 HB2 ARG A 45 18.919 -19.168 -9.692 1.00 44.45 H new ATOM 0 HB3 ARG A 45 18.119 -20.644 -9.191 1.00 44.45 H new ATOM 0 HG2 ARG A 45 19.353 -20.918 -11.837 1.00 51.41 H new ATOM 0 HG3 ARG A 45 20.518 -20.442 -10.617 1.00 51.41 H new ATOM 0 HD2 ARG A 45 20.073 -22.357 -9.270 1.00 60.25 H new ATOM 0 HD3 ARG A 45 18.566 -22.699 -10.096 1.00 60.25 H new ATOM 0 HE ARG A 45 21.256 -23.478 -10.945 1.00 43.20 H new ATOM 0 HH11 ARG A 45 17.938 -22.840 -11.968 1.00 32.35 H new ATOM 0 HH12 ARG A 45 18.063 -23.859 -13.406 1.00 32.35 H new ATOM 0 HH21 ARG A 45 21.409 -24.783 -12.795 1.00 64.20 H new ATOM 0 HH22 ARG A 45 20.019 -24.954 -13.872 1.00 64.20 H new ATOM 715 N GLY A 46 15.262 -19.169 -9.739 1.00 4.04 N ATOM 716 CA GLY A 46 14.010 -19.445 -9.059 1.00 23.10 C ATOM 717 C GLY A 46 14.202 -19.728 -7.582 1.00 42.12 C ATOM 718 O GLY A 46 13.240 -19.731 -6.814 1.00 4.03 O ATOM 0 H GLY A 46 15.524 -18.184 -9.772 1.00 4.04 H new ATOM 0 HA2 GLY A 46 13.340 -18.594 -9.178 1.00 23.10 H new ATOM 0 HA3 GLY A 46 13.525 -20.300 -9.530 1.00 23.10 H new ATOM 722 N ASP A 47 15.447 -19.968 -7.184 1.00 52.44 N ATOM 723 CA ASP A 47 15.762 -20.254 -5.790 1.00 11.35 C ATOM 724 C ASP A 47 17.003 -19.486 -5.344 1.00 53.13 C ATOM 725 O ASP A 47 18.048 -20.078 -5.072 1.00 32.22 O ATOM 726 CB ASP A 47 15.977 -21.755 -5.591 1.00 1.24 C ATOM 727 CG ASP A 47 14.675 -22.505 -5.391 1.00 11.15 C ATOM 728 OD1 ASP A 47 13.634 -21.844 -5.192 1.00 74.25 O ATOM 729 OD2 ASP A 47 14.697 -23.753 -5.433 1.00 11.42 O ATOM 0 H ASP A 47 16.254 -19.970 -7.808 1.00 52.44 H new ATOM 0 HA ASP A 47 14.919 -19.932 -5.179 1.00 11.35 H new ATOM 0 HB2 ASP A 47 16.498 -22.162 -6.457 1.00 1.24 H new ATOM 0 HB3 ASP A 47 16.622 -21.915 -4.727 1.00 1.24 H new ATOM 734 N LEU A 48 16.881 -18.165 -5.274 1.00 31.05 N ATOM 735 CA LEU A 48 17.993 -17.315 -4.862 1.00 71.13 C ATOM 736 C LEU A 48 18.100 -17.256 -3.342 1.00 21.31 C ATOM 737 O LEU A 48 19.192 -17.357 -2.781 1.00 43.23 O ATOM 738 CB LEU A 48 17.819 -15.904 -5.428 1.00 34.44 C ATOM 739 CG LEU A 48 17.991 -15.761 -6.940 1.00 71.52 C ATOM 740 CD1 LEU A 48 17.379 -14.457 -7.426 1.00 42.32 C ATOM 741 CD2 LEU A 48 19.463 -15.836 -7.319 1.00 30.13 C ATOM 0 H LEU A 48 16.024 -17.659 -5.497 1.00 31.05 H new ATOM 0 HA LEU A 48 18.913 -17.747 -5.255 1.00 71.13 H new ATOM 0 HB2 LEU A 48 16.824 -15.547 -5.160 1.00 34.44 H new ATOM 0 HB3 LEU A 48 18.536 -15.246 -4.937 1.00 34.44 H new ATOM 0 HG LEU A 48 17.469 -16.586 -7.425 1.00 71.52 H new ATOM 0 HD11 LEU A 48 17.511 -14.373 -8.505 1.00 42.32 H new ATOM 0 HD12 LEU A 48 16.315 -14.444 -7.189 1.00 42.32 H new ATOM 0 HD13 LEU A 48 17.871 -13.618 -6.934 1.00 42.32 H new ATOM 0 HD21 LEU A 48 19.566 -15.732 -8.399 1.00 30.13 H new ATOM 0 HD22 LEU A 48 20.008 -15.032 -6.824 1.00 30.13 H new ATOM 0 HD23 LEU A 48 19.871 -16.797 -7.006 1.00 30.13 H new ATOM 753 N LEU A 49 16.960 -17.095 -2.680 1.00 31.04 N ATOM 754 CA LEU A 49 16.925 -17.025 -1.223 1.00 34.32 C ATOM 755 C LEU A 49 15.557 -17.441 -0.691 1.00 31.32 C ATOM 756 O LEU A 49 14.625 -17.672 -1.461 1.00 2.43 O ATOM 757 CB LEU A 49 17.258 -15.609 -0.752 1.00 42.42 C ATOM 758 CG LEU A 49 18.714 -15.172 -0.917 1.00 42.25 C ATOM 759 CD1 LEU A 49 18.913 -14.470 -2.252 1.00 32.00 C ATOM 760 CD2 LEU A 49 19.133 -14.266 0.231 1.00 11.32 C ATOM 0 H LEU A 49 16.048 -17.010 -3.128 1.00 31.04 H new ATOM 0 HA LEU A 49 17.672 -17.716 -0.833 1.00 34.32 H new ATOM 0 HB2 LEU A 49 16.625 -14.908 -1.297 1.00 42.42 H new ATOM 0 HB3 LEU A 49 16.992 -15.526 0.302 1.00 42.42 H new ATOM 0 HG LEU A 49 19.344 -16.062 -0.900 1.00 42.25 H new ATOM 0 HD11 LEU A 49 19.955 -14.166 -2.352 1.00 32.00 H new ATOM 0 HD12 LEU A 49 18.654 -15.151 -3.063 1.00 32.00 H new ATOM 0 HD13 LEU A 49 18.272 -13.589 -2.299 1.00 32.00 H new ATOM 0 HD21 LEU A 49 20.172 -13.965 0.096 1.00 11.32 H new ATOM 0 HD22 LEU A 49 18.498 -13.380 0.246 1.00 11.32 H new ATOM 0 HD23 LEU A 49 19.030 -14.802 1.174 1.00 11.32 H new ATOM 772 N GLU A 50 15.445 -17.533 0.631 1.00 74.33 N ATOM 773 CA GLU A 50 14.190 -17.920 1.265 1.00 72.11 C ATOM 774 C GLU A 50 13.943 -17.100 2.528 1.00 23.21 C ATOM 775 O GLU A 50 14.881 -16.607 3.154 1.00 3.24 O ATOM 776 CB GLU A 50 14.204 -19.412 1.606 1.00 12.44 C ATOM 777 CG GLU A 50 12.921 -20.134 1.231 1.00 12.10 C ATOM 778 CD GLU A 50 13.070 -21.643 1.264 1.00 53.43 C ATOM 779 OE1 GLU A 50 14.209 -22.129 1.107 1.00 23.10 O ATOM 780 OE2 GLU A 50 12.048 -22.336 1.446 1.00 73.54 O ATOM 0 H GLU A 50 16.207 -17.345 1.283 1.00 74.33 H new ATOM 0 HA GLU A 50 13.381 -17.723 0.561 1.00 72.11 H new ATOM 0 HB2 GLU A 50 15.041 -19.886 1.093 1.00 12.44 H new ATOM 0 HB3 GLU A 50 14.378 -19.530 2.676 1.00 12.44 H new ATOM 0 HG2 GLU A 50 12.127 -19.836 1.916 1.00 12.10 H new ATOM 0 HG3 GLU A 50 12.613 -19.825 0.232 1.00 12.10 H new ATOM 787 N VAL A 51 12.674 -16.959 2.896 1.00 11.42 N ATOM 788 CA VAL A 51 12.303 -16.199 4.084 1.00 34.43 C ATOM 789 C VAL A 51 11.867 -17.125 5.214 1.00 33.42 C ATOM 790 O VAL A 51 11.243 -18.159 4.977 1.00 11.05 O ATOM 791 CB VAL A 51 11.166 -15.205 3.783 1.00 75.35 C ATOM 792 CG1 VAL A 51 10.019 -15.906 3.070 1.00 14.21 C ATOM 793 CG2 VAL A 51 10.683 -14.543 5.064 1.00 30.33 C ATOM 0 H VAL A 51 11.885 -17.361 2.389 1.00 11.42 H new ATOM 0 HA VAL A 51 13.188 -15.644 4.393 1.00 34.43 H new ATOM 0 HB VAL A 51 11.552 -14.428 3.123 1.00 75.35 H new ATOM 0 HG11 VAL A 51 9.225 -15.188 2.865 1.00 14.21 H new ATOM 0 HG12 VAL A 51 10.378 -16.328 2.131 1.00 14.21 H new ATOM 0 HG13 VAL A 51 9.632 -16.705 3.702 1.00 14.21 H new ATOM 0 HG21 VAL A 51 9.880 -13.844 4.832 1.00 30.33 H new ATOM 0 HG22 VAL A 51 10.314 -15.305 5.751 1.00 30.33 H new ATOM 0 HG23 VAL A 51 11.509 -14.005 5.529 1.00 30.33 H new ATOM 803 N ASN A 52 12.199 -16.747 6.444 1.00 4.30 N ATOM 804 CA ASN A 52 11.842 -17.544 7.612 1.00 0.51 C ATOM 805 C ASN A 52 10.615 -16.965 8.310 1.00 30.23 C ATOM 806 O ASN A 52 10.630 -15.823 8.772 1.00 61.23 O ATOM 807 CB ASN A 52 13.017 -17.607 8.590 1.00 34.55 C ATOM 808 CG ASN A 52 12.716 -18.472 9.799 1.00 33.52 C ATOM 809 OD1 ASN A 52 11.668 -19.115 9.871 1.00 23.32 O ATOM 810 ND2 ASN A 52 13.636 -18.492 10.756 1.00 11.25 N ATOM 0 H ASN A 52 12.715 -15.893 6.658 1.00 4.30 H new ATOM 0 HA ASN A 52 11.604 -18.553 7.275 1.00 0.51 H new ATOM 0 HB2 ASN A 52 13.894 -17.999 8.075 1.00 34.55 H new ATOM 0 HB3 ASN A 52 13.266 -16.599 8.921 1.00 34.55 H new ATOM 0 HD21 ASN A 52 13.489 -19.056 11.593 1.00 11.25 H new ATOM 0 HD22 ASN A 52 14.490 -17.943 10.654 1.00 11.25 H new ATOM 817 N LEU A 53 9.554 -17.761 8.385 1.00 52.22 N ATOM 818 CA LEU A 53 8.317 -17.329 9.028 1.00 65.03 C ATOM 819 C LEU A 53 8.513 -17.168 10.532 1.00 62.12 C ATOM 820 O LEU A 53 7.650 -16.632 11.225 1.00 14.32 O ATOM 821 CB LEU A 53 7.198 -18.335 8.752 1.00 1.42 C ATOM 822 CG LEU A 53 6.772 -18.481 7.291 1.00 12.21 C ATOM 823 CD1 LEU A 53 7.655 -19.491 6.576 1.00 60.22 C ATOM 824 CD2 LEU A 53 5.309 -18.890 7.201 1.00 71.12 C ATOM 0 H LEU A 53 9.525 -18.709 8.009 1.00 52.22 H new ATOM 0 HA LEU A 53 8.038 -16.361 8.611 1.00 65.03 H new ATOM 0 HB2 LEU A 53 7.517 -19.312 9.116 1.00 1.42 H new ATOM 0 HB3 LEU A 53 6.325 -18.046 9.337 1.00 1.42 H new ATOM 0 HG LEU A 53 6.889 -17.515 6.800 1.00 12.21 H new ATOM 0 HD11 LEU A 53 7.337 -19.582 5.537 1.00 60.22 H new ATOM 0 HD12 LEU A 53 8.692 -19.156 6.610 1.00 60.22 H new ATOM 0 HD13 LEU A 53 7.570 -20.460 7.067 1.00 60.22 H new ATOM 0 HD21 LEU A 53 5.023 -18.989 6.154 1.00 71.12 H new ATOM 0 HD22 LEU A 53 5.166 -19.844 7.708 1.00 71.12 H new ATOM 0 HD23 LEU A 53 4.689 -18.130 7.676 1.00 71.12 H new ATOM 836 N GLN A 54 9.655 -17.635 11.028 1.00 14.41 N ATOM 837 CA GLN A 54 9.964 -17.541 12.450 1.00 52.41 C ATOM 838 C GLN A 54 9.946 -16.089 12.916 1.00 43.40 C ATOM 839 O GLN A 54 9.133 -15.706 13.756 1.00 24.13 O ATOM 840 CB GLN A 54 11.330 -18.165 12.739 1.00 40.04 C ATOM 841 CG GLN A 54 11.574 -18.439 14.214 1.00 43.22 C ATOM 842 CD GLN A 54 11.765 -19.913 14.510 1.00 64.32 C ATOM 843 OE1 GLN A 54 12.689 -20.547 13.998 1.00 51.54 O ATOM 844 NE2 GLN A 54 10.891 -20.469 15.341 1.00 41.23 N ATOM 0 H GLN A 54 10.380 -18.082 10.467 1.00 14.41 H new ATOM 0 HA GLN A 54 9.199 -18.089 12.999 1.00 52.41 H new ATOM 0 HB2 GLN A 54 11.418 -19.100 12.185 1.00 40.04 H new ATOM 0 HB3 GLN A 54 12.110 -17.500 12.368 1.00 40.04 H new ATOM 0 HG2 GLN A 54 12.457 -17.889 14.540 1.00 43.22 H new ATOM 0 HG3 GLN A 54 10.731 -18.062 14.794 1.00 43.22 H new ATOM 0 HE21 GLN A 54 10.141 -19.907 15.743 1.00 41.23 H new ATOM 0 HE22 GLN A 54 10.970 -21.458 15.578 1.00 41.23 H new ATOM 853 N ASN A 55 10.849 -15.284 12.364 1.00 24.35 N ATOM 854 CA ASN A 55 10.938 -13.874 12.725 1.00 42.13 C ATOM 855 C ASN A 55 10.718 -12.986 11.504 1.00 54.20 C ATOM 856 O ASN A 55 10.458 -11.790 11.632 1.00 45.11 O ATOM 857 CB ASN A 55 12.301 -13.571 13.350 1.00 2.32 C ATOM 858 CG ASN A 55 12.385 -14.016 14.797 1.00 0.25 C ATOM 859 OD1 ASN A 55 11.409 -14.507 15.365 1.00 1.31 O ATOM 860 ND2 ASN A 55 13.555 -13.845 15.402 1.00 61.41 N ATOM 0 H ASN A 55 11.529 -15.584 11.665 1.00 24.35 H new ATOM 0 HA ASN A 55 10.156 -13.661 13.454 1.00 42.13 H new ATOM 0 HB2 ASN A 55 13.081 -14.069 12.774 1.00 2.32 H new ATOM 0 HB3 ASN A 55 12.495 -12.500 13.290 1.00 2.32 H new ATOM 0 HD21 ASN A 55 13.671 -14.125 16.376 1.00 61.41 H new ATOM 0 HD22 ASN A 55 14.337 -13.434 14.893 1.00 61.41 H new ATOM 867 N GLY A 56 10.822 -13.581 10.319 1.00 13.43 N ATOM 868 CA GLY A 56 10.630 -12.829 9.093 1.00 64.14 C ATOM 869 C GLY A 56 11.927 -12.609 8.339 1.00 22.22 C ATOM 870 O GLY A 56 11.915 -12.251 7.161 1.00 21.30 O ATOM 0 H GLY A 56 11.036 -14.570 10.187 1.00 13.43 H new ATOM 0 HA2 GLY A 56 9.926 -13.359 8.452 1.00 64.14 H new ATOM 0 HA3 GLY A 56 10.182 -11.864 9.329 1.00 64.14 H new ATOM 874 N ILE A 57 13.048 -12.822 9.020 1.00 44.12 N ATOM 875 CA ILE A 57 14.359 -12.644 8.407 1.00 51.20 C ATOM 876 C ILE A 57 14.615 -13.703 7.340 1.00 25.14 C ATOM 877 O ILE A 57 14.370 -14.891 7.557 1.00 10.53 O ATOM 878 CB ILE A 57 15.484 -12.705 9.457 1.00 62.24 C ATOM 879 CG1 ILE A 57 15.306 -11.594 10.493 1.00 34.12 C ATOM 880 CG2 ILE A 57 16.844 -12.595 8.783 1.00 53.13 C ATOM 881 CD1 ILE A 57 15.273 -10.206 9.892 1.00 71.40 C ATOM 0 H ILE A 57 13.075 -13.118 9.996 1.00 44.12 H new ATOM 0 HA ILE A 57 14.360 -11.658 7.943 1.00 51.20 H new ATOM 0 HB ILE A 57 15.430 -13.665 9.970 1.00 62.24 H new ATOM 0 HG12 ILE A 57 14.380 -11.765 11.042 1.00 34.12 H new ATOM 0 HG13 ILE A 57 16.120 -11.649 11.216 1.00 34.12 H new ATOM 0 HG21 ILE A 57 17.629 -12.640 9.538 1.00 53.13 H new ATOM 0 HG22 ILE A 57 16.969 -13.419 8.080 1.00 53.13 H new ATOM 0 HG23 ILE A 57 16.909 -11.648 8.248 1.00 53.13 H new ATOM 0 HD11 ILE A 57 15.144 -9.469 10.685 1.00 71.40 H new ATOM 0 HD12 ILE A 57 16.209 -10.014 9.367 1.00 71.40 H new ATOM 0 HD13 ILE A 57 14.442 -10.133 9.190 1.00 71.40 H new ATOM 893 N LEU A 58 15.112 -13.266 6.188 1.00 24.45 N ATOM 894 CA LEU A 58 15.405 -14.177 5.087 1.00 30.21 C ATOM 895 C LEU A 58 16.901 -14.463 5.000 1.00 73.32 C ATOM 896 O LEU A 58 17.726 -13.569 5.187 1.00 64.35 O ATOM 897 CB LEU A 58 14.909 -13.587 3.766 1.00 70.21 C ATOM 898 CG LEU A 58 15.578 -12.287 3.319 1.00 54.25 C ATOM 899 CD1 LEU A 58 16.003 -12.379 1.861 1.00 31.14 C ATOM 900 CD2 LEU A 58 14.641 -11.106 3.529 1.00 2.10 C ATOM 0 H LEU A 58 15.320 -12.287 5.992 1.00 24.45 H new ATOM 0 HA LEU A 58 14.885 -15.116 5.276 1.00 30.21 H new ATOM 0 HB2 LEU A 58 15.049 -14.332 2.983 1.00 70.21 H new ATOM 0 HB3 LEU A 58 13.837 -13.410 3.850 1.00 70.21 H new ATOM 0 HG LEU A 58 16.469 -12.132 3.927 1.00 54.25 H new ATOM 0 HD11 LEU A 58 16.477 -11.445 1.561 1.00 31.14 H new ATOM 0 HD12 LEU A 58 16.709 -13.200 1.739 1.00 31.14 H new ATOM 0 HD13 LEU A 58 15.127 -12.558 1.237 1.00 31.14 H new ATOM 0 HD21 LEU A 58 15.133 -10.189 3.206 1.00 2.10 H new ATOM 0 HD22 LEU A 58 13.732 -11.255 2.946 1.00 2.10 H new ATOM 0 HD23 LEU A 58 14.386 -11.027 4.586 1.00 2.10 H new ATOM 912 N PHE A 59 17.243 -15.715 4.713 1.00 53.03 N ATOM 913 CA PHE A 59 18.639 -16.119 4.599 1.00 42.01 C ATOM 914 C PHE A 59 18.977 -16.509 3.163 1.00 43.00 C ATOM 915 O PHE A 59 18.106 -16.538 2.294 1.00 51.42 O ATOM 916 CB PHE A 59 18.932 -17.290 5.540 1.00 53.33 C ATOM 917 CG PHE A 59 17.868 -18.350 5.526 1.00 12.22 C ATOM 918 CD1 PHE A 59 17.674 -19.141 4.406 1.00 70.43 C ATOM 919 CD2 PHE A 59 17.061 -18.554 6.634 1.00 20.30 C ATOM 920 CE1 PHE A 59 16.696 -20.118 4.390 1.00 30.11 C ATOM 921 CE2 PHE A 59 16.082 -19.530 6.624 1.00 11.44 C ATOM 922 CZ PHE A 59 15.898 -20.312 5.501 1.00 43.42 C ATOM 0 H PHE A 59 16.572 -16.467 4.555 1.00 53.03 H new ATOM 0 HA PHE A 59 19.261 -15.270 4.882 1.00 42.01 H new ATOM 0 HB2 PHE A 59 19.885 -17.740 5.262 1.00 53.33 H new ATOM 0 HB3 PHE A 59 19.043 -16.911 6.556 1.00 53.33 H new ATOM 0 HD1 PHE A 59 18.294 -18.993 3.534 1.00 70.43 H new ATOM 0 HD2 PHE A 59 17.198 -17.944 7.515 1.00 20.30 H new ATOM 0 HE1 PHE A 59 16.556 -20.729 3.510 1.00 30.11 H new ATOM 0 HE2 PHE A 59 15.461 -19.681 7.495 1.00 11.44 H new ATOM 0 HZ PHE A 59 15.132 -21.073 5.491 1.00 43.42 H new ATOM 932 N VAL A 60 20.250 -16.808 2.921 1.00 32.24 N ATOM 933 CA VAL A 60 20.704 -17.197 1.592 1.00 65.22 C ATOM 934 C VAL A 60 20.259 -18.615 1.251 1.00 14.24 C ATOM 935 O VAL A 60 20.249 -19.496 2.109 1.00 23.25 O ATOM 936 CB VAL A 60 22.238 -17.111 1.476 1.00 71.24 C ATOM 937 CG1 VAL A 60 22.709 -17.717 0.162 1.00 31.55 C ATOM 938 CG2 VAL A 60 22.701 -15.668 1.603 1.00 44.14 C ATOM 0 H VAL A 60 20.984 -16.788 3.629 1.00 32.24 H new ATOM 0 HA VAL A 60 20.253 -16.499 0.887 1.00 65.22 H new ATOM 0 HB VAL A 60 22.680 -17.684 2.292 1.00 71.24 H new ATOM 0 HG11 VAL A 60 23.795 -17.647 0.098 1.00 31.55 H new ATOM 0 HG12 VAL A 60 22.409 -18.764 0.116 1.00 31.55 H new ATOM 0 HG13 VAL A 60 22.261 -17.174 -0.670 1.00 31.55 H new ATOM 0 HG21 VAL A 60 23.787 -15.626 1.519 1.00 44.14 H new ATOM 0 HG22 VAL A 60 22.252 -15.071 0.810 1.00 44.14 H new ATOM 0 HG23 VAL A 60 22.396 -15.272 2.572 1.00 44.14 H new ATOM 948 N ASN A 61 19.890 -18.827 -0.008 1.00 12.12 N ATOM 949 CA ASN A 61 19.443 -20.138 -0.463 1.00 35.44 C ATOM 950 C ASN A 61 19.872 -20.390 -1.905 1.00 13.50 C ATOM 951 O ASN A 61 19.109 -20.930 -2.705 1.00 74.33 O ATOM 952 CB ASN A 61 17.921 -20.251 -0.344 1.00 42.45 C ATOM 953 CG ASN A 61 17.473 -21.644 0.051 1.00 23.34 C ATOM 954 OD1 ASN A 61 16.968 -21.856 1.154 1.00 74.23 O ATOM 955 ND2 ASN A 61 17.658 -22.603 -0.849 1.00 11.02 N ATOM 0 H ASN A 61 19.892 -18.108 -0.731 1.00 12.12 H new ATOM 0 HA ASN A 61 19.907 -20.893 0.172 1.00 35.44 H new ATOM 0 HB2 ASN A 61 17.563 -19.534 0.395 1.00 42.45 H new ATOM 0 HB3 ASN A 61 17.464 -19.982 -1.296 1.00 42.45 H new ATOM 0 HD21 ASN A 61 17.378 -23.561 -0.639 1.00 11.02 H new ATOM 0 HD22 ASN A 61 18.080 -22.382 -1.751 1.00 11.02 H new ATOM 962 N SER A 62 21.098 -19.993 -2.229 1.00 64.41 N ATOM 963 CA SER A 62 21.629 -20.172 -3.576 1.00 34.43 C ATOM 964 C SER A 62 23.098 -19.768 -3.639 1.00 24.21 C ATOM 965 O SER A 62 23.739 -19.553 -2.610 1.00 0.50 O ATOM 966 CB SER A 62 20.818 -19.350 -4.579 1.00 41.03 C ATOM 967 OG SER A 62 20.566 -20.091 -5.761 1.00 22.05 O ATOM 0 H SER A 62 21.743 -19.545 -1.578 1.00 64.41 H new ATOM 0 HA SER A 62 21.550 -21.228 -3.834 1.00 34.43 H new ATOM 0 HB2 SER A 62 19.873 -19.048 -4.127 1.00 41.03 H new ATOM 0 HB3 SER A 62 21.359 -18.437 -4.827 1.00 41.03 H new ATOM 0 HG SER A 62 19.604 -20.256 -5.845 1.00 22.05 H new ATOM 973 N ARG A 63 23.626 -19.668 -4.855 1.00 1.35 N ATOM 974 CA ARG A 63 25.020 -19.291 -5.053 1.00 43.24 C ATOM 975 C ARG A 63 25.197 -17.780 -4.935 1.00 43.20 C ATOM 976 O ARG A 63 24.661 -17.017 -5.740 1.00 21.43 O ATOM 977 CB ARG A 63 25.509 -19.767 -6.423 1.00 1.53 C ATOM 978 CG ARG A 63 25.157 -21.214 -6.726 1.00 53.52 C ATOM 979 CD ARG A 63 25.862 -22.170 -5.777 1.00 45.44 C ATOM 980 NE ARG A 63 26.236 -23.418 -6.436 1.00 64.13 N ATOM 981 CZ ARG A 63 25.357 -24.330 -6.837 1.00 2.31 C ATOM 982 NH1 ARG A 63 24.060 -24.133 -6.647 1.00 11.30 N ATOM 983 NH2 ARG A 63 25.775 -25.441 -7.430 1.00 1.15 N ATOM 0 H ARG A 63 23.109 -19.843 -5.717 1.00 1.35 H new ATOM 0 HA ARG A 63 25.614 -19.771 -4.275 1.00 43.24 H new ATOM 0 HB2 ARG A 63 25.080 -19.128 -7.195 1.00 1.53 H new ATOM 0 HB3 ARG A 63 26.591 -19.647 -6.475 1.00 1.53 H new ATOM 0 HG2 ARG A 63 24.079 -21.351 -6.647 1.00 53.52 H new ATOM 0 HG3 ARG A 63 25.434 -21.449 -7.754 1.00 53.52 H new ATOM 0 HD2 ARG A 63 26.755 -21.690 -5.376 1.00 45.44 H new ATOM 0 HD3 ARG A 63 25.210 -22.388 -4.931 1.00 45.44 H new ATOM 0 HE ARG A 63 27.227 -23.600 -6.597 1.00 64.13 H new ATOM 0 HH11 ARG A 63 23.735 -23.280 -6.192 1.00 11.30 H new ATOM 0 HH12 ARG A 63 23.387 -24.835 -6.956 1.00 11.30 H new ATOM 0 HH21 ARG A 63 26.772 -25.596 -7.578 1.00 1.15 H new ATOM 0 HH22 ARG A 63 25.099 -26.140 -7.737 1.00 1.15 H new ATOM 997 N ILE A 64 25.952 -17.355 -3.927 1.00 55.10 N ATOM 998 CA ILE A 64 26.199 -15.936 -3.704 1.00 42.13 C ATOM 999 C ILE A 64 27.637 -15.568 -4.052 1.00 44.55 C ATOM 1000 O ILE A 64 27.964 -14.393 -4.222 1.00 44.14 O ATOM 1001 CB ILE A 64 25.919 -15.538 -2.243 1.00 74.01 C ATOM 1002 CG1 ILE A 64 24.518 -15.993 -1.828 1.00 10.22 C ATOM 1003 CG2 ILE A 64 26.067 -14.034 -2.066 1.00 25.43 C ATOM 1004 CD1 ILE A 64 23.409 -15.323 -2.608 1.00 51.22 C ATOM 0 H ILE A 64 26.403 -17.973 -3.252 1.00 55.10 H new ATOM 0 HA ILE A 64 25.518 -15.391 -4.357 1.00 42.13 H new ATOM 0 HB ILE A 64 26.647 -16.033 -1.601 1.00 74.01 H new ATOM 0 HG12 ILE A 64 24.442 -17.072 -1.958 1.00 10.22 H new ATOM 0 HG13 ILE A 64 24.378 -15.790 -0.766 1.00 10.22 H new ATOM 0 HG21 ILE A 64 25.866 -13.768 -1.028 1.00 25.43 H new ATOM 0 HG22 ILE A 64 27.082 -13.735 -2.327 1.00 25.43 H new ATOM 0 HG23 ILE A 64 25.359 -13.520 -2.716 1.00 25.43 H new ATOM 0 HD11 ILE A 64 22.445 -15.694 -2.261 1.00 51.22 H new ATOM 0 HD12 ILE A 64 23.459 -14.245 -2.458 1.00 51.22 H new ATOM 0 HD13 ILE A 64 23.523 -15.547 -3.669 1.00 51.22 H new ATOM 1016 N ASP A 65 28.492 -16.579 -4.159 1.00 10.03 N ATOM 1017 CA ASP A 65 29.896 -16.362 -4.490 1.00 75.41 C ATOM 1018 C ASP A 65 30.033 -15.644 -5.829 1.00 3.44 C ATOM 1019 O ASP A 65 29.209 -15.819 -6.726 1.00 50.30 O ATOM 1020 CB ASP A 65 30.643 -17.696 -4.534 1.00 71.21 C ATOM 1021 CG ASP A 65 32.143 -17.515 -4.655 1.00 62.44 C ATOM 1022 OD1 ASP A 65 32.647 -16.450 -4.243 1.00 42.12 O ATOM 1023 OD2 ASP A 65 32.813 -18.439 -5.163 1.00 44.02 O ATOM 0 H ASP A 65 28.238 -17.557 -4.021 1.00 10.03 H new ATOM 0 HA ASP A 65 30.335 -15.734 -3.714 1.00 75.41 H new ATOM 0 HB2 ASP A 65 30.420 -18.264 -3.631 1.00 71.21 H new ATOM 0 HB3 ASP A 65 30.282 -18.284 -5.378 1.00 71.21 H new ATOM 1028 N ARG A 66 31.079 -14.834 -5.955 1.00 4.34 N ATOM 1029 CA ARG A 66 31.324 -14.087 -7.182 1.00 54.54 C ATOM 1030 C ARG A 66 31.192 -14.991 -8.404 1.00 50.24 C ATOM 1031 O ARG A 66 30.803 -14.541 -9.482 1.00 35.15 O ATOM 1032 CB ARG A 66 32.716 -13.453 -7.151 1.00 31.31 C ATOM 1033 CG ARG A 66 32.997 -12.664 -5.883 1.00 24.02 C ATOM 1034 CD ARG A 66 34.223 -13.196 -5.156 1.00 51.23 C ATOM 1035 NE ARG A 66 35.411 -13.184 -6.006 1.00 11.33 N ATOM 1036 CZ ARG A 66 36.542 -13.808 -5.697 1.00 33.35 C ATOM 1037 NH1 ARG A 66 36.637 -14.491 -4.564 1.00 65.42 N ATOM 1038 NH2 ARG A 66 37.580 -13.751 -6.521 1.00 53.22 N ATOM 0 H ARG A 66 31.771 -14.678 -5.222 1.00 4.34 H new ATOM 0 HA ARG A 66 30.575 -13.298 -7.252 1.00 54.54 H new ATOM 0 HB2 ARG A 66 33.466 -14.237 -7.255 1.00 31.31 H new ATOM 0 HB3 ARG A 66 32.825 -12.793 -8.011 1.00 31.31 H new ATOM 0 HG2 ARG A 66 33.148 -11.614 -6.133 1.00 24.02 H new ATOM 0 HG3 ARG A 66 32.131 -12.714 -5.223 1.00 24.02 H new ATOM 0 HD2 ARG A 66 34.407 -12.593 -4.267 1.00 51.23 H new ATOM 0 HD3 ARG A 66 34.030 -14.214 -4.817 1.00 51.23 H new ATOM 0 HE ARG A 66 35.370 -12.668 -6.885 1.00 11.33 H new ATOM 0 HH11 ARG A 66 35.841 -14.538 -3.928 1.00 65.42 H new ATOM 0 HH12 ARG A 66 37.506 -14.970 -4.328 1.00 65.42 H new ATOM 0 HH21 ARG A 66 37.510 -13.227 -7.394 1.00 53.22 H new ATOM 0 HH22 ARG A 66 38.448 -14.231 -6.282 1.00 53.22 H new ATOM 1052 N GLU A 67 31.520 -16.267 -8.228 1.00 41.11 N ATOM 1053 CA GLU A 67 31.440 -17.233 -9.317 1.00 75.22 C ATOM 1054 C GLU A 67 30.078 -17.167 -10.004 1.00 22.14 C ATOM 1055 O GLU A 67 29.979 -16.799 -11.173 1.00 44.44 O ATOM 1056 CB GLU A 67 31.690 -18.649 -8.793 1.00 3.54 C ATOM 1057 CG GLU A 67 33.158 -19.040 -8.776 1.00 22.32 C ATOM 1058 CD GLU A 67 33.730 -19.219 -10.169 1.00 22.53 C ATOM 1059 OE1 GLU A 67 32.940 -19.428 -11.113 1.00 1.22 O ATOM 1060 OE2 GLU A 67 34.969 -19.151 -10.314 1.00 53.01 O ATOM 0 H GLU A 67 31.843 -16.656 -7.342 1.00 41.11 H new ATOM 0 HA GLU A 67 32.209 -16.982 -10.047 1.00 75.22 H new ATOM 0 HB2 GLU A 67 31.289 -18.730 -7.783 1.00 3.54 H new ATOM 0 HB3 GLU A 67 31.141 -19.359 -9.411 1.00 3.54 H new ATOM 0 HG2 GLU A 67 33.728 -18.275 -8.249 1.00 22.32 H new ATOM 0 HG3 GLU A 67 33.277 -19.968 -8.217 1.00 22.32 H new ATOM 1067 N GLU A 68 29.032 -17.528 -9.267 1.00 2.34 N ATOM 1068 CA GLU A 68 27.677 -17.511 -9.805 1.00 2.21 C ATOM 1069 C GLU A 68 27.076 -16.111 -9.720 1.00 54.15 C ATOM 1070 O GLU A 68 26.394 -15.659 -10.642 1.00 33.25 O ATOM 1071 CB GLU A 68 26.792 -18.504 -9.049 1.00 61.45 C ATOM 1072 CG GLU A 68 26.547 -19.799 -9.807 1.00 15.42 C ATOM 1073 CD GLU A 68 27.491 -20.908 -9.387 1.00 33.41 C ATOM 1074 OE1 GLU A 68 28.513 -20.603 -8.738 1.00 42.31 O ATOM 1075 OE2 GLU A 68 27.208 -22.082 -9.707 1.00 12.31 O ATOM 0 H GLU A 68 29.097 -17.835 -8.297 1.00 2.34 H new ATOM 0 HA GLU A 68 27.726 -17.804 -10.854 1.00 2.21 H new ATOM 0 HB2 GLU A 68 27.257 -18.736 -8.091 1.00 61.45 H new ATOM 0 HB3 GLU A 68 25.833 -18.032 -8.833 1.00 61.45 H new ATOM 0 HG2 GLU A 68 25.519 -20.122 -9.645 1.00 15.42 H new ATOM 0 HG3 GLU A 68 26.659 -19.617 -10.876 1.00 15.42 H new ATOM 1082 N LEU A 69 27.332 -15.429 -8.610 1.00 24.24 N ATOM 1083 CA LEU A 69 26.816 -14.080 -8.403 1.00 64.41 C ATOM 1084 C LEU A 69 27.038 -13.217 -9.641 1.00 61.20 C ATOM 1085 O LEU A 69 26.089 -12.856 -10.337 1.00 71.04 O ATOM 1086 CB LEU A 69 27.490 -13.436 -7.190 1.00 51.45 C ATOM 1087 CG LEU A 69 26.720 -12.296 -6.522 1.00 42.35 C ATOM 1088 CD1 LEU A 69 26.623 -11.099 -7.456 1.00 14.35 C ATOM 1089 CD2 LEU A 69 25.334 -12.762 -6.103 1.00 74.04 C ATOM 0 H LEU A 69 27.894 -15.788 -7.838 1.00 24.24 H new ATOM 0 HA LEU A 69 25.744 -14.151 -8.220 1.00 64.41 H new ATOM 0 HB2 LEU A 69 27.671 -14.211 -6.445 1.00 51.45 H new ATOM 0 HB3 LEU A 69 28.464 -13.058 -7.499 1.00 51.45 H new ATOM 0 HG LEU A 69 27.264 -11.990 -5.628 1.00 42.35 H new ATOM 0 HD11 LEU A 69 26.072 -10.297 -6.964 1.00 14.35 H new ATOM 0 HD12 LEU A 69 27.625 -10.750 -7.706 1.00 14.35 H new ATOM 0 HD13 LEU A 69 26.102 -11.391 -8.368 1.00 14.35 H new ATOM 0 HD21 LEU A 69 24.801 -11.938 -5.630 1.00 74.04 H new ATOM 0 HD22 LEU A 69 24.781 -13.095 -6.981 1.00 74.04 H new ATOM 0 HD23 LEU A 69 25.426 -13.588 -5.397 1.00 74.04 H new ATOM 1101 N CYS A 70 28.298 -12.891 -9.911 1.00 33.22 N ATOM 1102 CA CYS A 70 28.646 -12.072 -11.066 1.00 33.15 C ATOM 1103 C CYS A 70 30.107 -12.276 -11.457 1.00 15.03 C ATOM 1104 O CYS A 70 30.413 -12.609 -12.601 1.00 1.03 O ATOM 1105 CB CYS A 70 28.388 -10.594 -10.765 1.00 23.21 C ATOM 1106 SG CYS A 70 26.751 -10.001 -11.300 1.00 43.41 S ATOM 0 H CYS A 70 29.095 -13.182 -9.345 1.00 33.22 H new ATOM 0 HA CYS A 70 28.018 -12.381 -11.902 1.00 33.15 H new ATOM 0 HB2 CYS A 70 28.489 -10.430 -9.692 1.00 23.21 H new ATOM 0 HB3 CYS A 70 29.157 -9.995 -11.253 1.00 23.21 H new ATOM 1111 N GLY A 71 31.004 -12.074 -10.497 1.00 44.41 N ATOM 1112 CA GLY A 71 32.422 -12.240 -10.760 1.00 52.14 C ATOM 1113 C GLY A 71 33.160 -10.917 -10.819 1.00 33.12 C ATOM 1114 O GLY A 71 33.560 -10.376 -9.788 1.00 13.20 O ATOM 0 H GLY A 71 30.775 -11.798 -9.542 1.00 44.41 H new ATOM 0 HA2 GLY A 71 32.862 -12.863 -9.982 1.00 52.14 H new ATOM 0 HA3 GLY A 71 32.554 -12.768 -11.704 1.00 52.14 H new ATOM 1118 N ARG A 72 33.342 -10.396 -12.028 1.00 22.03 N ATOM 1119 CA ARG A 72 34.040 -9.130 -12.217 1.00 11.14 C ATOM 1120 C ARG A 72 33.084 -7.952 -12.048 1.00 24.23 C ATOM 1121 O ARG A 72 32.801 -7.228 -13.002 1.00 21.10 O ATOM 1122 CB ARG A 72 34.687 -9.081 -13.602 1.00 75.21 C ATOM 1123 CG ARG A 72 36.052 -9.746 -13.660 1.00 44.54 C ATOM 1124 CD ARG A 72 36.508 -9.957 -15.096 1.00 2.23 C ATOM 1125 NE ARG A 72 37.919 -10.325 -15.173 1.00 63.12 N ATOM 1126 CZ ARG A 72 38.915 -9.467 -14.979 1.00 55.24 C ATOM 1127 NH1 ARG A 72 38.654 -8.198 -14.698 1.00 4.43 N ATOM 1128 NH2 ARG A 72 40.173 -9.878 -15.067 1.00 2.22 N ATOM 0 H ARG A 72 33.016 -10.831 -12.891 1.00 22.03 H new ATOM 0 HA ARG A 72 34.819 -9.056 -11.458 1.00 11.14 H new ATOM 0 HB2 ARG A 72 34.025 -9.565 -14.320 1.00 75.21 H new ATOM 0 HB3 ARG A 72 34.786 -8.040 -13.911 1.00 75.21 H new ATOM 0 HG2 ARG A 72 36.781 -9.131 -13.132 1.00 44.54 H new ATOM 0 HG3 ARG A 72 36.013 -10.706 -13.145 1.00 44.54 H new ATOM 0 HD2 ARG A 72 35.904 -10.738 -15.557 1.00 2.23 H new ATOM 0 HD3 ARG A 72 36.340 -9.044 -15.668 1.00 2.23 H new ATOM 0 HE ARG A 72 38.153 -11.294 -15.388 1.00 63.12 H new ATOM 0 HH11 ARG A 72 37.688 -7.879 -14.630 1.00 4.43 H new ATOM 0 HH12 ARG A 72 39.420 -7.541 -14.549 1.00 4.43 H new ATOM 0 HH21 ARG A 72 40.377 -10.854 -15.284 1.00 2.22 H new ATOM 0 HH22 ARG A 72 40.937 -9.218 -14.918 1.00 2.22 H new ATOM 1142 N SER A 73 32.591 -7.768 -10.828 1.00 14.45 N ATOM 1143 CA SER A 73 31.664 -6.681 -10.534 1.00 54.24 C ATOM 1144 C SER A 73 31.698 -6.322 -9.052 1.00 20.52 C ATOM 1145 O SER A 73 31.089 -7.000 -8.224 1.00 41.41 O ATOM 1146 CB SER A 73 30.242 -7.071 -10.944 1.00 11.44 C ATOM 1147 OG SER A 73 30.252 -7.913 -12.083 1.00 40.44 O ATOM 0 H SER A 73 32.818 -8.357 -10.027 1.00 14.45 H new ATOM 0 HA SER A 73 31.974 -5.807 -11.108 1.00 54.24 H new ATOM 0 HB2 SER A 73 29.748 -7.580 -10.116 1.00 11.44 H new ATOM 0 HB3 SER A 73 29.662 -6.173 -11.157 1.00 11.44 H new ATOM 0 HG SER A 73 29.338 -8.020 -12.419 1.00 40.44 H new ATOM 1153 N ALA A 74 32.415 -5.252 -8.725 1.00 22.53 N ATOM 1154 CA ALA A 74 32.528 -4.802 -7.343 1.00 42.22 C ATOM 1155 C ALA A 74 31.154 -4.652 -6.701 1.00 15.45 C ATOM 1156 O ALA A 74 31.003 -4.818 -5.491 1.00 30.03 O ATOM 1157 CB ALA A 74 33.290 -3.486 -7.278 1.00 21.42 C ATOM 0 H ALA A 74 32.926 -4.681 -9.398 1.00 22.53 H new ATOM 0 HA ALA A 74 33.080 -5.557 -6.784 1.00 42.22 H new ATOM 0 HB1 ALA A 74 33.367 -3.161 -6.240 1.00 21.42 H new ATOM 0 HB2 ALA A 74 34.290 -3.624 -7.691 1.00 21.42 H new ATOM 0 HB3 ALA A 74 32.760 -2.730 -7.856 1.00 21.42 H new ATOM 1163 N GLU A 75 30.154 -4.336 -7.518 1.00 43.54 N ATOM 1164 CA GLU A 75 28.792 -4.162 -7.028 1.00 3.55 C ATOM 1165 C GLU A 75 27.775 -4.601 -8.077 1.00 44.32 C ATOM 1166 O GLU A 75 27.560 -3.913 -9.076 1.00 24.12 O ATOM 1167 CB GLU A 75 28.547 -2.701 -6.644 1.00 43.42 C ATOM 1168 CG GLU A 75 29.422 -2.217 -5.499 1.00 55.15 C ATOM 1169 CD GLU A 75 29.106 -2.914 -4.190 1.00 43.50 C ATOM 1170 OE1 GLU A 75 27.914 -3.183 -3.934 1.00 52.03 O ATOM 1171 OE2 GLU A 75 30.051 -3.189 -3.421 1.00 51.14 O ATOM 0 H GLU A 75 30.262 -4.195 -8.522 1.00 43.54 H new ATOM 0 HA GLU A 75 28.669 -4.788 -6.144 1.00 3.55 H new ATOM 0 HB2 GLU A 75 28.723 -2.071 -7.516 1.00 43.42 H new ATOM 0 HB3 GLU A 75 27.500 -2.578 -6.367 1.00 43.42 H new ATOM 0 HG2 GLU A 75 30.469 -2.383 -5.751 1.00 55.15 H new ATOM 0 HG3 GLU A 75 29.291 -1.142 -5.375 1.00 55.15 H new ATOM 1178 N CYS A 76 27.153 -5.751 -7.844 1.00 73.21 N ATOM 1179 CA CYS A 76 26.159 -6.285 -8.768 1.00 43.52 C ATOM 1180 C CYS A 76 24.766 -6.255 -8.146 1.00 23.32 C ATOM 1181 O CYS A 76 24.593 -6.578 -6.971 1.00 4.05 O ATOM 1182 CB CYS A 76 26.521 -7.716 -9.168 1.00 61.24 C ATOM 1183 SG CYS A 76 26.844 -7.932 -10.948 1.00 52.23 S ATOM 0 H CYS A 76 27.320 -6.332 -7.022 1.00 73.21 H new ATOM 0 HA CYS A 76 26.153 -5.657 -9.659 1.00 43.52 H new ATOM 0 HB2 CYS A 76 27.404 -8.026 -8.609 1.00 61.24 H new ATOM 0 HB3 CYS A 76 25.709 -8.381 -8.874 1.00 61.24 H new ATOM 1188 N SER A 77 23.776 -5.867 -8.943 1.00 1.53 N ATOM 1189 CA SER A 77 22.399 -5.792 -8.470 1.00 12.42 C ATOM 1190 C SER A 77 21.646 -7.081 -8.782 1.00 62.42 C ATOM 1191 O SER A 77 21.971 -7.787 -9.738 1.00 4.52 O ATOM 1192 CB SER A 77 21.682 -4.601 -9.110 1.00 35.42 C ATOM 1193 OG SER A 77 20.981 -4.996 -10.277 1.00 14.35 O ATOM 0 H SER A 77 23.902 -5.600 -9.919 1.00 1.53 H new ATOM 0 HA SER A 77 22.419 -5.657 -7.389 1.00 12.42 H new ATOM 0 HB2 SER A 77 20.986 -4.164 -8.394 1.00 35.42 H new ATOM 0 HB3 SER A 77 22.408 -3.828 -9.362 1.00 35.42 H new ATOM 0 HG SER A 77 20.530 -4.218 -10.667 1.00 14.35 H new ATOM 1199 N ILE A 78 20.639 -7.383 -7.970 1.00 1.24 N ATOM 1200 CA ILE A 78 19.839 -8.587 -8.159 1.00 42.52 C ATOM 1201 C ILE A 78 18.354 -8.293 -7.979 1.00 74.43 C ATOM 1202 O ILE A 78 17.964 -7.513 -7.109 1.00 65.44 O ATOM 1203 CB ILE A 78 20.254 -9.698 -7.178 1.00 21.54 C ATOM 1204 CG1 ILE A 78 21.735 -10.040 -7.356 1.00 72.01 C ATOM 1205 CG2 ILE A 78 19.391 -10.935 -7.382 1.00 43.34 C ATOM 1206 CD1 ILE A 78 22.653 -9.231 -6.467 1.00 50.42 C ATOM 0 H ILE A 78 20.357 -6.810 -7.174 1.00 1.24 H new ATOM 0 HA ILE A 78 20.018 -8.929 -9.178 1.00 42.52 H new ATOM 0 HB ILE A 78 20.104 -9.338 -6.160 1.00 21.54 H new ATOM 0 HG12 ILE A 78 21.882 -11.100 -7.148 1.00 72.01 H new ATOM 0 HG13 ILE A 78 22.015 -9.877 -8.397 1.00 72.01 H new ATOM 0 HG21 ILE A 78 19.697 -11.712 -6.681 1.00 43.34 H new ATOM 0 HG22 ILE A 78 18.345 -10.681 -7.209 1.00 43.34 H new ATOM 0 HG23 ILE A 78 19.512 -11.299 -8.402 1.00 43.34 H new ATOM 0 HD11 ILE A 78 23.687 -9.526 -6.647 1.00 50.42 H new ATOM 0 HD12 ILE A 78 22.534 -8.171 -6.690 1.00 50.42 H new ATOM 0 HD13 ILE A 78 22.400 -9.412 -5.422 1.00 50.42 H new ATOM 1218 N HIS A 79 17.527 -8.925 -8.807 1.00 31.24 N ATOM 1219 CA HIS A 79 16.083 -8.734 -8.738 1.00 35.14 C ATOM 1220 C HIS A 79 15.383 -10.023 -8.317 1.00 24.22 C ATOM 1221 O HIS A 79 15.776 -11.117 -8.726 1.00 52.31 O ATOM 1222 CB HIS A 79 15.544 -8.266 -10.090 1.00 14.13 C ATOM 1223 CG HIS A 79 16.361 -7.178 -10.716 1.00 33.00 C ATOM 1224 ND1 HIS A 79 16.619 -7.115 -12.069 1.00 23.01 N ATOM 1225 CD2 HIS A 79 16.977 -6.105 -10.166 1.00 72.53 C ATOM 1226 CE1 HIS A 79 17.361 -6.052 -12.324 1.00 53.22 C ATOM 1227 NE2 HIS A 79 17.591 -5.422 -11.186 1.00 42.34 N ATOM 0 H HIS A 79 17.833 -9.573 -9.533 1.00 31.24 H new ATOM 0 HA HIS A 79 15.879 -7.969 -7.989 1.00 35.14 H new ATOM 0 HB2 HIS A 79 15.504 -9.117 -10.770 1.00 14.13 H new ATOM 0 HB3 HIS A 79 14.521 -7.913 -9.962 1.00 14.13 H new ATOM 0 HD2 HIS A 79 16.984 -5.837 -9.120 1.00 72.53 H new ATOM 0 HE1 HIS A 79 17.719 -5.750 -13.297 1.00 53.22 H new ATOM 0 HE2 HIS A 79 18.137 -4.566 -11.082 1.00 42.34 H new ATOM 1235 N LEU A 80 14.347 -9.888 -7.497 1.00 10.21 N ATOM 1236 CA LEU A 80 13.593 -11.042 -7.020 1.00 0.02 C ATOM 1237 C LEU A 80 12.095 -10.756 -7.029 1.00 51.44 C ATOM 1238 O LEU A 80 11.672 -9.607 -6.900 1.00 65.22 O ATOM 1239 CB LEU A 80 14.042 -11.421 -5.607 1.00 43.05 C ATOM 1240 CG LEU A 80 13.306 -12.595 -4.962 1.00 23.35 C ATOM 1241 CD1 LEU A 80 14.220 -13.330 -3.993 1.00 13.13 C ATOM 1242 CD2 LEU A 80 12.050 -12.112 -4.251 1.00 5.21 C ATOM 0 H LEU A 80 14.010 -8.991 -7.148 1.00 10.21 H new ATOM 0 HA LEU A 80 13.789 -11.876 -7.694 1.00 0.02 H new ATOM 0 HB2 LEU A 80 15.106 -11.657 -5.636 1.00 43.05 H new ATOM 0 HB3 LEU A 80 13.927 -10.548 -4.964 1.00 43.05 H new ATOM 0 HG LEU A 80 13.010 -13.289 -5.748 1.00 23.35 H new ATOM 0 HD11 LEU A 80 13.679 -14.163 -3.543 1.00 13.13 H new ATOM 0 HD12 LEU A 80 15.089 -13.710 -4.530 1.00 13.13 H new ATOM 0 HD13 LEU A 80 14.547 -12.645 -3.211 1.00 13.13 H new ATOM 0 HD21 LEU A 80 11.539 -12.961 -3.798 1.00 5.21 H new ATOM 0 HD22 LEU A 80 12.323 -11.397 -3.475 1.00 5.21 H new ATOM 0 HD23 LEU A 80 11.387 -11.631 -4.970 1.00 5.21 H new ATOM 1254 N GLU A 81 11.297 -11.808 -7.181 1.00 62.24 N ATOM 1255 CA GLU A 81 9.846 -11.669 -7.206 1.00 50.20 C ATOM 1256 C GLU A 81 9.195 -12.570 -6.161 1.00 10.14 C ATOM 1257 O GLU A 81 9.330 -13.793 -6.208 1.00 4.45 O ATOM 1258 CB GLU A 81 9.302 -12.007 -8.596 1.00 5.41 C ATOM 1259 CG GLU A 81 9.036 -10.785 -9.459 1.00 12.33 C ATOM 1260 CD GLU A 81 8.580 -11.147 -10.859 1.00 21.32 C ATOM 1261 OE1 GLU A 81 7.532 -11.814 -10.987 1.00 32.13 O ATOM 1262 OE2 GLU A 81 9.271 -10.765 -11.826 1.00 0.11 O ATOM 0 H GLU A 81 11.631 -12.766 -7.289 1.00 62.24 H new ATOM 0 HA GLU A 81 9.602 -10.633 -6.970 1.00 50.20 H new ATOM 0 HB2 GLU A 81 10.014 -12.655 -9.108 1.00 5.41 H new ATOM 0 HB3 GLU A 81 8.377 -12.573 -8.487 1.00 5.41 H new ATOM 0 HG2 GLU A 81 8.276 -10.167 -8.982 1.00 12.33 H new ATOM 0 HG3 GLU A 81 9.943 -10.184 -9.521 1.00 12.33 H new ATOM 1269 N VAL A 82 8.488 -11.956 -5.217 1.00 21.43 N ATOM 1270 CA VAL A 82 7.815 -12.702 -4.159 1.00 43.45 C ATOM 1271 C VAL A 82 6.343 -12.919 -4.491 1.00 43.15 C ATOM 1272 O VAL A 82 5.544 -11.983 -4.458 1.00 3.54 O ATOM 1273 CB VAL A 82 7.923 -11.976 -2.805 1.00 41.22 C ATOM 1274 CG1 VAL A 82 7.453 -12.880 -1.676 1.00 12.21 C ATOM 1275 CG2 VAL A 82 9.350 -11.507 -2.565 1.00 0.23 C ATOM 0 H VAL A 82 8.366 -10.945 -5.163 1.00 21.43 H new ATOM 0 HA VAL A 82 8.314 -13.668 -4.086 1.00 43.45 H new ATOM 0 HB VAL A 82 7.276 -11.099 -2.829 1.00 41.22 H new ATOM 0 HG11 VAL A 82 7.536 -12.350 -0.727 1.00 12.21 H new ATOM 0 HG12 VAL A 82 6.414 -13.162 -1.844 1.00 12.21 H new ATOM 0 HG13 VAL A 82 8.072 -13.777 -1.646 1.00 12.21 H new ATOM 0 HG21 VAL A 82 9.408 -10.996 -1.604 1.00 0.23 H new ATOM 0 HG22 VAL A 82 10.020 -12.367 -2.560 1.00 0.23 H new ATOM 0 HG23 VAL A 82 9.646 -10.821 -3.359 1.00 0.23 H new ATOM 1285 N ILE A 83 5.992 -14.160 -4.812 1.00 13.43 N ATOM 1286 CA ILE A 83 4.615 -14.500 -5.148 1.00 71.03 C ATOM 1287 C ILE A 83 3.791 -14.764 -3.892 1.00 63.34 C ATOM 1288 O ILE A 83 4.027 -15.737 -3.175 1.00 42.33 O ATOM 1289 CB ILE A 83 4.548 -15.738 -6.062 1.00 44.01 C ATOM 1290 CG1 ILE A 83 5.542 -15.600 -7.217 1.00 62.13 C ATOM 1291 CG2 ILE A 83 3.135 -15.930 -6.592 1.00 3.21 C ATOM 1292 CD1 ILE A 83 6.879 -16.255 -6.946 1.00 54.20 C ATOM 0 H ILE A 83 6.642 -14.946 -4.846 1.00 13.43 H new ATOM 0 HA ILE A 83 4.199 -13.643 -5.679 1.00 71.03 H new ATOM 0 HB ILE A 83 4.818 -16.618 -5.478 1.00 44.01 H new ATOM 0 HG12 ILE A 83 5.107 -16.039 -8.115 1.00 62.13 H new ATOM 0 HG13 ILE A 83 5.701 -14.542 -7.425 1.00 62.13 H new ATOM 0 HG21 ILE A 83 3.104 -16.809 -7.236 1.00 3.21 H new ATOM 0 HG22 ILE A 83 2.449 -16.068 -5.757 1.00 3.21 H new ATOM 0 HG23 ILE A 83 2.838 -15.051 -7.164 1.00 3.21 H new ATOM 0 HD11 ILE A 83 7.533 -16.117 -7.807 1.00 54.20 H new ATOM 0 HD12 ILE A 83 7.336 -15.800 -6.067 1.00 54.20 H new ATOM 0 HD13 ILE A 83 6.733 -17.320 -6.768 1.00 54.20 H new ATOM 1304 N VAL A 84 2.822 -13.893 -3.633 1.00 11.52 N ATOM 1305 CA VAL A 84 1.960 -14.033 -2.465 1.00 42.21 C ATOM 1306 C VAL A 84 0.489 -14.019 -2.863 1.00 74.22 C ATOM 1307 O VAL A 84 0.053 -13.170 -3.641 1.00 62.23 O ATOM 1308 CB VAL A 84 2.214 -12.910 -1.442 1.00 2.21 C ATOM 1309 CG1 VAL A 84 3.669 -12.911 -0.998 1.00 1.10 C ATOM 1310 CG2 VAL A 84 1.828 -11.560 -2.026 1.00 55.44 C ATOM 0 H VAL A 84 2.614 -13.082 -4.216 1.00 11.52 H new ATOM 0 HA VAL A 84 2.201 -14.993 -2.007 1.00 42.21 H new ATOM 0 HB VAL A 84 1.591 -13.093 -0.566 1.00 2.21 H new ATOM 0 HG11 VAL A 84 3.829 -12.111 -0.275 1.00 1.10 H new ATOM 0 HG12 VAL A 84 3.908 -13.869 -0.537 1.00 1.10 H new ATOM 0 HG13 VAL A 84 4.313 -12.753 -1.863 1.00 1.10 H new ATOM 0 HG21 VAL A 84 2.014 -10.778 -1.289 1.00 55.44 H new ATOM 0 HG22 VAL A 84 2.423 -11.366 -2.919 1.00 55.44 H new ATOM 0 HG23 VAL A 84 0.770 -11.566 -2.289 1.00 55.44 H new ATOM 1320 N ASP A 85 -0.273 -14.965 -2.324 1.00 40.22 N ATOM 1321 CA ASP A 85 -1.697 -15.061 -2.622 1.00 34.24 C ATOM 1322 C ASP A 85 -2.528 -14.415 -1.517 1.00 50.55 C ATOM 1323 O ASP A 85 -2.377 -14.743 -0.341 1.00 12.14 O ATOM 1324 CB ASP A 85 -2.106 -16.525 -2.794 1.00 13.13 C ATOM 1325 CG ASP A 85 -3.378 -16.679 -3.605 1.00 23.31 C ATOM 1326 OD1 ASP A 85 -4.384 -16.025 -3.260 1.00 61.23 O ATOM 1327 OD2 ASP A 85 -3.367 -17.455 -4.584 1.00 1.11 O ATOM 0 H ASP A 85 0.072 -15.676 -1.679 1.00 40.22 H new ATOM 0 HA ASP A 85 -1.885 -14.527 -3.553 1.00 34.24 H new ATOM 0 HB2 ASP A 85 -1.298 -17.070 -3.283 1.00 13.13 H new ATOM 0 HB3 ASP A 85 -2.247 -16.978 -1.813 1.00 13.13 H new ATOM 1332 N ARG A 86 -3.404 -13.493 -1.905 1.00 61.44 N ATOM 1333 CA ARG A 86 -4.257 -12.799 -0.948 1.00 44.12 C ATOM 1334 C ARG A 86 -3.427 -11.910 -0.026 1.00 72.11 C ATOM 1335 O ARG A 86 -3.064 -12.294 1.086 1.00 74.51 O ATOM 1336 CB ARG A 86 -5.056 -13.807 -0.120 1.00 3.42 C ATOM 1337 CG ARG A 86 -6.402 -13.278 0.349 1.00 24.50 C ATOM 1338 CD ARG A 86 -7.223 -14.367 1.022 1.00 54.21 C ATOM 1339 NE ARG A 86 -8.512 -14.565 0.364 1.00 12.13 N ATOM 1340 CZ ARG A 86 -9.485 -15.317 0.866 1.00 14.02 C ATOM 1341 NH1 ARG A 86 -9.317 -15.938 2.025 1.00 21.23 N ATOM 1342 NH2 ARG A 86 -10.630 -15.448 0.208 1.00 33.44 N ATOM 0 H ARG A 86 -3.541 -13.210 -2.875 1.00 61.44 H new ATOM 0 HA ARG A 86 -4.949 -12.168 -1.506 1.00 44.12 H new ATOM 0 HB2 ARG A 86 -5.216 -14.707 -0.714 1.00 3.42 H new ATOM 0 HB3 ARG A 86 -4.467 -14.099 0.749 1.00 3.42 H new ATOM 0 HG2 ARG A 86 -6.248 -12.454 1.045 1.00 24.50 H new ATOM 0 HG3 ARG A 86 -6.954 -12.878 -0.502 1.00 24.50 H new ATOM 0 HD2 ARG A 86 -6.663 -15.302 1.012 1.00 54.21 H new ATOM 0 HD3 ARG A 86 -7.386 -14.105 2.067 1.00 54.21 H new ATOM 0 HE ARG A 86 -8.674 -14.101 -0.530 1.00 12.13 H new ATOM 0 HH11 ARG A 86 -8.439 -15.839 2.534 1.00 21.23 H new ATOM 0 HH12 ARG A 86 -10.066 -16.515 2.408 1.00 21.23 H new ATOM 0 HH21 ARG A 86 -10.763 -14.971 -0.684 1.00 33.44 H new ATOM 0 HH22 ARG A 86 -11.377 -16.026 0.594 1.00 33.44 H new ATOM 1356 N PRO A 87 -3.119 -10.693 -0.497 1.00 44.23 N ATOM 1357 CA PRO A 87 -3.544 -10.224 -1.820 1.00 33.54 C ATOM 1358 C PRO A 87 -2.826 -10.952 -2.951 1.00 74.11 C ATOM 1359 O PRO A 87 -1.740 -11.501 -2.760 1.00 13.24 O ATOM 1360 CB PRO A 87 -3.163 -8.742 -1.810 1.00 53.05 C ATOM 1361 CG PRO A 87 -2.048 -8.644 -0.828 1.00 44.42 C ATOM 1362 CD PRO A 87 -2.330 -9.680 0.224 1.00 2.02 C ATOM 0 HA PRO A 87 -4.605 -10.404 -1.995 1.00 33.54 H new ATOM 0 HB2 PRO A 87 -2.850 -8.407 -2.799 1.00 53.05 H new ATOM 0 HB3 PRO A 87 -4.007 -8.118 -1.514 1.00 53.05 H new ATOM 0 HG2 PRO A 87 -1.087 -8.828 -1.309 1.00 44.42 H new ATOM 0 HG3 PRO A 87 -2.000 -7.647 -0.391 1.00 44.42 H new ATOM 0 HD2 PRO A 87 -1.410 -10.101 0.630 1.00 2.02 H new ATOM 0 HD3 PRO A 87 -2.885 -9.260 1.063 1.00 2.02 H new ATOM 1370 N LEU A 88 -3.439 -10.953 -4.130 1.00 44.20 N ATOM 1371 CA LEU A 88 -2.857 -11.613 -5.294 1.00 11.03 C ATOM 1372 C LEU A 88 -1.954 -10.658 -6.067 1.00 2.40 C ATOM 1373 O LEU A 88 -2.432 -9.812 -6.823 1.00 21.41 O ATOM 1374 CB LEU A 88 -3.962 -12.142 -6.210 1.00 11.03 C ATOM 1375 CG LEU A 88 -3.627 -13.403 -7.007 1.00 20.24 C ATOM 1376 CD1 LEU A 88 -2.285 -13.252 -7.707 1.00 14.44 C ATOM 1377 CD2 LEU A 88 -3.621 -14.623 -6.097 1.00 21.03 C ATOM 0 H LEU A 88 -4.338 -10.505 -4.305 1.00 44.20 H new ATOM 0 HA LEU A 88 -2.253 -12.450 -4.942 1.00 11.03 H new ATOM 0 HB2 LEU A 88 -4.844 -12.344 -5.602 1.00 11.03 H new ATOM 0 HB3 LEU A 88 -4.232 -11.354 -6.912 1.00 11.03 H new ATOM 0 HG LEU A 88 -4.396 -13.544 -7.767 1.00 20.24 H new ATOM 0 HD11 LEU A 88 -2.064 -14.159 -8.269 1.00 14.44 H new ATOM 0 HD12 LEU A 88 -2.324 -12.403 -8.389 1.00 14.44 H new ATOM 0 HD13 LEU A 88 -1.504 -13.085 -6.965 1.00 14.44 H new ATOM 0 HD21 LEU A 88 -3.381 -15.511 -6.681 1.00 21.03 H new ATOM 0 HD22 LEU A 88 -2.874 -14.490 -5.315 1.00 21.03 H new ATOM 0 HD23 LEU A 88 -4.604 -14.743 -5.642 1.00 21.03 H new ATOM 1389 N GLN A 89 -0.647 -10.800 -5.873 1.00 63.23 N ATOM 1390 CA GLN A 89 0.323 -9.950 -6.554 1.00 61.41 C ATOM 1391 C GLN A 89 1.749 -10.350 -6.188 1.00 73.34 C ATOM 1392 O GLN A 89 1.963 -11.270 -5.398 1.00 44.34 O ATOM 1393 CB GLN A 89 0.085 -8.482 -6.198 1.00 23.14 C ATOM 1394 CG GLN A 89 -0.088 -8.238 -4.707 1.00 64.21 C ATOM 1395 CD GLN A 89 -0.321 -6.777 -4.378 1.00 13.00 C ATOM 1396 OE1 GLN A 89 0.563 -6.097 -3.856 1.00 60.05 O ATOM 1397 NE2 GLN A 89 -1.517 -6.285 -4.682 1.00 22.32 N ATOM 0 H GLN A 89 -0.235 -11.495 -5.250 1.00 63.23 H new ATOM 0 HA GLN A 89 0.193 -10.081 -7.628 1.00 61.41 H new ATOM 0 HB2 GLN A 89 0.924 -7.888 -6.560 1.00 23.14 H new ATOM 0 HB3 GLN A 89 -0.804 -8.129 -6.721 1.00 23.14 H new ATOM 0 HG2 GLN A 89 -0.929 -8.827 -4.341 1.00 64.21 H new ATOM 0 HG3 GLN A 89 0.800 -8.588 -4.180 1.00 64.21 H new ATOM 0 HE21 GLN A 89 -2.220 -6.884 -5.114 1.00 22.32 H new ATOM 0 HE22 GLN A 89 -1.732 -5.308 -4.484 1.00 22.32 H new ATOM 1406 N VAL A 90 2.721 -9.654 -6.769 1.00 11.22 N ATOM 1407 CA VAL A 90 4.127 -9.936 -6.503 1.00 54.54 C ATOM 1408 C VAL A 90 4.827 -8.721 -5.904 1.00 33.33 C ATOM 1409 O VAL A 90 4.409 -7.583 -6.116 1.00 11.33 O ATOM 1410 CB VAL A 90 4.866 -10.359 -7.786 1.00 60.23 C ATOM 1411 CG1 VAL A 90 6.242 -10.914 -7.451 1.00 61.03 C ATOM 1412 CG2 VAL A 90 4.045 -11.379 -8.562 1.00 4.32 C ATOM 0 H VAL A 90 2.561 -8.891 -7.427 1.00 11.22 H new ATOM 0 HA VAL A 90 4.156 -10.758 -5.788 1.00 54.54 H new ATOM 0 HB VAL A 90 4.999 -9.479 -8.415 1.00 60.23 H new ATOM 0 HG11 VAL A 90 6.749 -11.208 -8.370 1.00 61.03 H new ATOM 0 HG12 VAL A 90 6.828 -10.150 -6.941 1.00 61.03 H new ATOM 0 HG13 VAL A 90 6.136 -11.783 -6.802 1.00 61.03 H new ATOM 0 HG21 VAL A 90 4.582 -11.667 -9.466 1.00 4.32 H new ATOM 0 HG22 VAL A 90 3.879 -12.260 -7.942 1.00 4.32 H new ATOM 0 HG23 VAL A 90 3.085 -10.941 -8.835 1.00 4.32 H new ATOM 1422 N PHE A 91 5.895 -8.972 -5.154 1.00 40.40 N ATOM 1423 CA PHE A 91 6.654 -7.899 -4.522 1.00 42.45 C ATOM 1424 C PHE A 91 8.053 -7.796 -5.123 1.00 23.02 C ATOM 1425 O PHE A 91 8.802 -8.773 -5.151 1.00 23.21 O ATOM 1426 CB PHE A 91 6.750 -8.133 -3.014 1.00 3.15 C ATOM 1427 CG PHE A 91 5.425 -8.062 -2.310 1.00 70.53 C ATOM 1428 CD1 PHE A 91 4.531 -7.041 -2.589 1.00 4.11 C ATOM 1429 CD2 PHE A 91 5.073 -9.018 -1.370 1.00 41.42 C ATOM 1430 CE1 PHE A 91 3.311 -6.973 -1.944 1.00 33.41 C ATOM 1431 CE2 PHE A 91 3.854 -8.955 -0.722 1.00 72.54 C ATOM 1432 CZ PHE A 91 2.972 -7.931 -1.009 1.00 21.54 C ATOM 0 H PHE A 91 6.254 -9.909 -4.969 1.00 40.40 H new ATOM 0 HA PHE A 91 6.130 -6.961 -4.704 1.00 42.45 H new ATOM 0 HB2 PHE A 91 7.196 -9.111 -2.834 1.00 3.15 H new ATOM 0 HB3 PHE A 91 7.422 -7.392 -2.582 1.00 3.15 H new ATOM 0 HD1 PHE A 91 4.791 -6.289 -3.319 1.00 4.11 H new ATOM 0 HD2 PHE A 91 5.759 -9.821 -1.142 1.00 41.42 H new ATOM 0 HE1 PHE A 91 2.623 -6.172 -2.171 1.00 33.41 H new ATOM 0 HE2 PHE A 91 3.591 -9.706 0.008 1.00 72.54 H new ATOM 0 HZ PHE A 91 2.019 -7.880 -0.503 1.00 21.54 H new ATOM 1442 N HIS A 92 8.399 -6.606 -5.603 1.00 0.42 N ATOM 1443 CA HIS A 92 9.708 -6.374 -6.203 1.00 61.21 C ATOM 1444 C HIS A 92 10.784 -6.247 -5.129 1.00 32.54 C ATOM 1445 O HIS A 92 10.888 -5.221 -4.458 1.00 13.53 O ATOM 1446 CB HIS A 92 9.681 -5.112 -7.066 1.00 1.04 C ATOM 1447 CG HIS A 92 10.307 -5.294 -8.414 1.00 23.32 C ATOM 1448 ND1 HIS A 92 11.612 -5.706 -8.588 1.00 74.34 N ATOM 1449 CD2 HIS A 92 9.800 -5.120 -9.657 1.00 11.15 C ATOM 1450 CE1 HIS A 92 11.880 -5.776 -9.880 1.00 51.30 C ATOM 1451 NE2 HIS A 92 10.797 -5.425 -10.550 1.00 71.30 N ATOM 0 H HIS A 92 7.791 -5.787 -5.588 1.00 0.42 H new ATOM 0 HA HIS A 92 9.948 -7.231 -6.833 1.00 61.21 H new ATOM 0 HB2 HIS A 92 8.647 -4.792 -7.195 1.00 1.04 H new ATOM 0 HB3 HIS A 92 10.199 -4.311 -6.539 1.00 1.04 H new ATOM 0 HD2 HIS A 92 8.798 -4.801 -9.901 1.00 11.15 H new ATOM 0 HE1 HIS A 92 12.824 -6.070 -10.314 1.00 51.30 H new ATOM 0 HE2 HIS A 92 10.715 -5.387 -11.566 1.00 71.30 H new ATOM 1459 N VAL A 93 11.582 -7.299 -4.970 1.00 51.41 N ATOM 1460 CA VAL A 93 12.650 -7.305 -3.978 1.00 11.15 C ATOM 1461 C VAL A 93 14.018 -7.206 -4.642 1.00 44.41 C ATOM 1462 O VAL A 93 14.382 -8.045 -5.465 1.00 34.32 O ATOM 1463 CB VAL A 93 12.603 -8.577 -3.111 1.00 23.40 C ATOM 1464 CG1 VAL A 93 13.846 -8.676 -2.240 1.00 1.04 C ATOM 1465 CG2 VAL A 93 11.343 -8.596 -2.260 1.00 35.00 C ATOM 0 H VAL A 93 11.508 -8.158 -5.516 1.00 51.41 H new ATOM 0 HA VAL A 93 12.495 -6.434 -3.341 1.00 11.15 H new ATOM 0 HB VAL A 93 12.581 -9.444 -3.771 1.00 23.40 H new ATOM 0 HG11 VAL A 93 13.795 -9.581 -1.635 1.00 1.04 H new ATOM 0 HG12 VAL A 93 14.732 -8.713 -2.874 1.00 1.04 H new ATOM 0 HG13 VAL A 93 13.903 -7.805 -1.587 1.00 1.04 H new ATOM 0 HG21 VAL A 93 11.327 -9.502 -1.654 1.00 35.00 H new ATOM 0 HG22 VAL A 93 11.331 -7.723 -1.608 1.00 35.00 H new ATOM 0 HG23 VAL A 93 10.466 -8.577 -2.907 1.00 35.00 H new ATOM 1475 N GLU A 94 14.773 -6.173 -4.279 1.00 22.44 N ATOM 1476 CA GLU A 94 16.102 -5.965 -4.841 1.00 5.44 C ATOM 1477 C GLU A 94 17.180 -6.169 -3.779 1.00 50.35 C ATOM 1478 O GLU A 94 17.012 -5.776 -2.625 1.00 5.31 O ATOM 1479 CB GLU A 94 16.215 -4.558 -5.433 1.00 72.54 C ATOM 1480 CG GLU A 94 15.024 -4.162 -6.290 1.00 30.12 C ATOM 1481 CD GLU A 94 15.405 -3.228 -7.422 1.00 13.32 C ATOM 1482 OE1 GLU A 94 16.259 -3.612 -8.248 1.00 33.34 O ATOM 1483 OE2 GLU A 94 14.848 -2.111 -7.482 1.00 32.45 O ATOM 0 H GLU A 94 14.487 -5.468 -3.599 1.00 22.44 H new ATOM 0 HA GLU A 94 16.252 -6.699 -5.633 1.00 5.44 H new ATOM 0 HB2 GLU A 94 16.323 -3.839 -4.621 1.00 72.54 H new ATOM 0 HB3 GLU A 94 17.122 -4.498 -6.035 1.00 72.54 H new ATOM 0 HG2 GLU A 94 14.564 -5.060 -6.704 1.00 30.12 H new ATOM 0 HG3 GLU A 94 14.274 -3.680 -5.663 1.00 30.12 H new ATOM 1490 N VAL A 95 18.287 -6.787 -4.179 1.00 53.15 N ATOM 1491 CA VAL A 95 19.392 -7.043 -3.264 1.00 64.44 C ATOM 1492 C VAL A 95 20.736 -6.860 -3.961 1.00 41.10 C ATOM 1493 O VAL A 95 20.953 -7.376 -5.057 1.00 41.50 O ATOM 1494 CB VAL A 95 19.319 -8.467 -2.681 1.00 3.12 C ATOM 1495 CG1 VAL A 95 18.126 -8.601 -1.747 1.00 52.23 C ATOM 1496 CG2 VAL A 95 19.251 -9.497 -3.798 1.00 23.43 C ATOM 0 H VAL A 95 18.442 -7.119 -5.131 1.00 53.15 H new ATOM 0 HA VAL A 95 19.305 -6.321 -2.452 1.00 64.44 H new ATOM 0 HB VAL A 95 20.225 -8.651 -2.103 1.00 3.12 H new ATOM 0 HG11 VAL A 95 18.091 -9.613 -1.345 1.00 52.23 H new ATOM 0 HG12 VAL A 95 18.223 -7.888 -0.928 1.00 52.23 H new ATOM 0 HG13 VAL A 95 17.208 -8.397 -2.298 1.00 52.23 H new ATOM 0 HG21 VAL A 95 19.200 -10.497 -3.368 1.00 23.43 H new ATOM 0 HG22 VAL A 95 18.364 -9.317 -4.405 1.00 23.43 H new ATOM 0 HG23 VAL A 95 20.141 -9.416 -4.423 1.00 23.43 H new ATOM 1506 N GLU A 96 21.635 -6.122 -3.317 1.00 32.24 N ATOM 1507 CA GLU A 96 22.958 -5.871 -3.875 1.00 50.34 C ATOM 1508 C GLU A 96 24.031 -6.625 -3.095 1.00 14.33 C ATOM 1509 O GLU A 96 23.865 -6.913 -1.909 1.00 54.33 O ATOM 1510 CB GLU A 96 23.264 -4.371 -3.866 1.00 35.44 C ATOM 1511 CG GLU A 96 23.206 -3.729 -5.241 1.00 74.45 C ATOM 1512 CD GLU A 96 22.784 -2.274 -5.189 1.00 0.22 C ATOM 1513 OE1 GLU A 96 23.040 -1.620 -4.156 1.00 13.22 O ATOM 1514 OE2 GLU A 96 22.199 -1.789 -6.179 1.00 53.23 O ATOM 0 H GLU A 96 21.471 -5.688 -2.409 1.00 32.24 H new ATOM 0 HA GLU A 96 22.963 -6.230 -4.904 1.00 50.34 H new ATOM 0 HB2 GLU A 96 22.554 -3.868 -3.209 1.00 35.44 H new ATOM 0 HB3 GLU A 96 24.256 -4.214 -3.443 1.00 35.44 H new ATOM 0 HG2 GLU A 96 24.185 -3.802 -5.714 1.00 74.45 H new ATOM 0 HG3 GLU A 96 22.507 -4.284 -5.867 1.00 74.45 H new ATOM 1521 N VAL A 97 25.132 -6.942 -3.769 1.00 34.04 N ATOM 1522 CA VAL A 97 26.232 -7.662 -3.139 1.00 44.23 C ATOM 1523 C VAL A 97 27.381 -6.720 -2.798 1.00 2.42 C ATOM 1524 O VAL A 97 27.636 -5.750 -3.513 1.00 34.14 O ATOM 1525 CB VAL A 97 26.759 -8.788 -4.049 1.00 3.24 C ATOM 1526 CG1 VAL A 97 25.816 -9.981 -4.022 1.00 63.03 C ATOM 1527 CG2 VAL A 97 26.950 -8.279 -5.470 1.00 33.44 C ATOM 0 H VAL A 97 25.286 -6.712 -4.751 1.00 34.04 H new ATOM 0 HA VAL A 97 25.840 -8.100 -2.221 1.00 44.23 H new ATOM 0 HB VAL A 97 27.728 -9.114 -3.672 1.00 3.24 H new ATOM 0 HG11 VAL A 97 26.204 -10.766 -4.670 1.00 63.03 H new ATOM 0 HG12 VAL A 97 25.736 -10.359 -3.003 1.00 63.03 H new ATOM 0 HG13 VAL A 97 24.831 -9.674 -4.374 1.00 63.03 H new ATOM 0 HG21 VAL A 97 27.323 -9.087 -6.099 1.00 33.44 H new ATOM 0 HG22 VAL A 97 25.996 -7.925 -5.861 1.00 33.44 H new ATOM 0 HG23 VAL A 97 27.668 -7.459 -5.469 1.00 33.44 H new ATOM 1537 N ARG A 98 28.073 -7.012 -1.701 1.00 54.40 N ATOM 1538 CA ARG A 98 29.195 -6.190 -1.264 1.00 13.21 C ATOM 1539 C ARG A 98 30.496 -6.987 -1.291 1.00 75.11 C ATOM 1540 O ARG A 98 30.637 -7.987 -0.587 1.00 61.22 O ATOM 1541 CB ARG A 98 28.943 -5.653 0.146 1.00 15.02 C ATOM 1542 CG ARG A 98 30.124 -4.896 0.730 1.00 50.41 C ATOM 1543 CD ARG A 98 29.690 -3.964 1.850 1.00 14.52 C ATOM 1544 NE ARG A 98 30.690 -2.936 2.126 1.00 52.43 N ATOM 1545 CZ ARG A 98 30.840 -1.840 1.390 1.00 72.15 C ATOM 1546 NH1 ARG A 98 30.058 -1.631 0.339 1.00 23.11 N ATOM 1547 NH2 ARG A 98 31.773 -0.951 1.704 1.00 51.40 N ATOM 0 H ARG A 98 27.876 -7.812 -1.099 1.00 54.40 H new ATOM 0 HA ARG A 98 29.288 -5.351 -1.954 1.00 13.21 H new ATOM 0 HB2 ARG A 98 28.075 -4.994 0.125 1.00 15.02 H new ATOM 0 HB3 ARG A 98 28.695 -6.486 0.804 1.00 15.02 H new ATOM 0 HG2 ARG A 98 30.860 -5.605 1.110 1.00 50.41 H new ATOM 0 HG3 ARG A 98 30.612 -4.320 -0.056 1.00 50.41 H new ATOM 0 HD2 ARG A 98 28.747 -3.489 1.581 1.00 14.52 H new ATOM 0 HD3 ARG A 98 29.508 -4.545 2.754 1.00 14.52 H new ATOM 0 HE ARG A 98 31.307 -3.067 2.928 1.00 52.43 H new ATOM 0 HH11 ARG A 98 29.340 -2.312 0.094 1.00 23.11 H new ATOM 0 HH12 ARG A 98 30.175 -0.789 -0.224 1.00 23.11 H new ATOM 0 HH21 ARG A 98 32.376 -1.108 2.511 1.00 51.40 H new ATOM 0 HH22 ARG A 98 31.887 -0.110 1.138 1.00 51.40 H new ATOM 1561 N ASP A 99 31.442 -6.538 -2.108 1.00 54.32 N ATOM 1562 CA ASP A 99 32.731 -7.208 -2.227 1.00 61.40 C ATOM 1563 C ASP A 99 33.627 -6.490 -3.232 1.00 34.32 C ATOM 1564 O ASP A 99 33.315 -5.385 -3.677 1.00 30.24 O ATOM 1565 CB ASP A 99 32.535 -8.665 -2.650 1.00 22.23 C ATOM 1566 CG ASP A 99 33.278 -9.634 -1.750 1.00 54.22 C ATOM 1567 OD1 ASP A 99 32.922 -9.726 -0.557 1.00 4.33 O ATOM 1568 OD2 ASP A 99 34.215 -10.299 -2.239 1.00 75.45 O ATOM 0 H ASP A 99 31.340 -5.712 -2.698 1.00 54.32 H new ATOM 0 HA ASP A 99 33.217 -7.183 -1.252 1.00 61.40 H new ATOM 0 HB2 ASP A 99 31.472 -8.904 -2.637 1.00 22.23 H new ATOM 0 HB3 ASP A 99 32.878 -8.792 -3.677 1.00 22.23 H new ATOM 1573 N ILE A 100 34.740 -7.125 -3.584 1.00 14.12 N ATOM 1574 CA ILE A 100 35.680 -6.546 -4.536 1.00 33.33 C ATOM 1575 C ILE A 100 35.876 -7.461 -5.740 1.00 21.23 C ATOM 1576 O ILE A 100 35.650 -8.668 -5.658 1.00 41.34 O ATOM 1577 CB ILE A 100 37.048 -6.276 -3.882 1.00 52.21 C ATOM 1578 CG1 ILE A 100 37.638 -7.574 -3.328 1.00 2.14 C ATOM 1579 CG2 ILE A 100 36.912 -5.236 -2.780 1.00 11.01 C ATOM 1580 CD1 ILE A 100 37.202 -7.879 -1.912 1.00 22.43 C ATOM 0 H ILE A 100 35.013 -8.040 -3.225 1.00 14.12 H new ATOM 0 HA ILE A 100 35.252 -5.600 -4.868 1.00 33.33 H new ATOM 0 HB ILE A 100 37.726 -5.886 -4.641 1.00 52.21 H new ATOM 0 HG12 ILE A 100 37.347 -8.401 -3.975 1.00 2.14 H new ATOM 0 HG13 ILE A 100 38.726 -7.512 -3.359 1.00 2.14 H new ATOM 0 HG21 ILE A 100 37.887 -5.056 -2.327 1.00 11.01 H new ATOM 0 HG22 ILE A 100 36.531 -4.306 -3.202 1.00 11.01 H new ATOM 0 HG23 ILE A 100 36.221 -5.600 -2.020 1.00 11.01 H new ATOM 0 HD11 ILE A 100 37.658 -8.813 -1.584 1.00 22.43 H new ATOM 0 HD12 ILE A 100 37.517 -7.070 -1.252 1.00 22.43 H new ATOM 0 HD13 ILE A 100 36.117 -7.974 -1.878 1.00 22.43 H new