USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 609 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.672 USER MOD Single : A 5 LYS NZ :NH3+ -130:sc= -0.296 (180deg=-1.09) USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0367) USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= -0.0278 (180deg=-0.197) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.284 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc=-0.00142 (180deg=-0.0772) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= -0.0177 (180deg=-0.171) USER MOD Single : A 33 SER OG : rot 83:sc= -0.253 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 80:sc= 0.491 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= 0.687 (180deg=0.439) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -58:sc= -0.454 USER MOD Single : A 70 SER OG : rot -18:sc= 0.0251 USER MOD Single : A 71 LYS NZ :NH3+ -121:sc= 0.124 (180deg=0.115) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.884 -7.516 15.731 1.00 14.31 N ATOM 2 CA GLY A 1 4.664 -6.678 15.608 1.00 4.54 C ATOM 3 C GLY A 1 3.644 -7.292 14.657 1.00 75.23 C ATOM 4 O GLY A 1 3.209 -8.430 14.872 1.00 32.03 O ATOM 0 H1 GLY A 1 6.552 -7.063 16.387 1.00 14.31 H new ATOM 0 H2 GLY A 1 5.625 -8.455 16.095 1.00 14.31 H new ATOM 0 H3 GLY A 1 6.331 -7.618 14.797 1.00 14.31 H new ATOM 0 HA2 GLY A 1 4.212 -6.550 16.591 1.00 4.54 H new ATOM 0 HA3 GLY A 1 4.940 -5.685 15.252 1.00 4.54 H new ATOM 8 N SER A 2 3.248 -6.543 13.617 1.00 31.30 N ATOM 9 CA SER A 2 2.338 -7.022 12.573 1.00 15.45 C ATOM 10 C SER A 2 3.127 -7.636 11.400 1.00 22.15 C ATOM 11 O SER A 2 4.012 -6.982 10.830 1.00 75.22 O ATOM 12 CB SER A 2 1.464 -5.855 12.076 1.00 24.24 C ATOM 13 OG SER A 2 0.717 -5.292 13.139 1.00 50.53 O ATOM 0 H SER A 2 3.555 -5.580 13.478 1.00 31.30 H new ATOM 0 HA SER A 2 1.698 -7.798 12.993 1.00 15.45 H new ATOM 0 HB2 SER A 2 2.095 -5.089 11.625 1.00 24.24 H new ATOM 0 HB3 SER A 2 0.787 -6.208 11.298 1.00 24.24 H new ATOM 0 HG SER A 2 0.173 -4.551 12.800 1.00 50.53 H new ATOM 19 N VAL A 3 2.792 -8.899 11.050 1.00 14.41 N ATOM 20 CA VAL A 3 3.281 -9.571 9.821 1.00 71.23 C ATOM 21 C VAL A 3 2.837 -8.804 8.545 1.00 32.30 C ATOM 22 O VAL A 3 3.406 -8.982 7.462 1.00 60.22 O ATOM 23 CB VAL A 3 2.778 -11.066 9.755 1.00 1.42 C ATOM 24 CG1 VAL A 3 1.251 -11.166 9.491 1.00 20.14 C ATOM 25 CG2 VAL A 3 3.593 -11.898 8.738 1.00 22.24 C ATOM 0 H VAL A 3 2.173 -9.483 11.612 1.00 14.41 H new ATOM 0 HA VAL A 3 4.370 -9.571 9.862 1.00 71.23 H new ATOM 0 HB VAL A 3 2.951 -11.498 10.741 1.00 1.42 H new ATOM 0 HG11 VAL A 3 0.956 -12.215 9.455 1.00 20.14 H new ATOM 0 HG12 VAL A 3 0.709 -10.664 10.293 1.00 20.14 H new ATOM 0 HG13 VAL A 3 1.014 -10.689 8.540 1.00 20.14 H new ATOM 0 HG21 VAL A 3 3.217 -12.921 8.721 1.00 22.24 H new ATOM 0 HG22 VAL A 3 3.494 -11.458 7.746 1.00 22.24 H new ATOM 0 HG23 VAL A 3 4.643 -11.902 9.030 1.00 22.24 H new ATOM 35 N VAL A 4 1.796 -7.965 8.716 1.00 75.44 N ATOM 36 CA VAL A 4 1.284 -7.047 7.688 1.00 24.44 C ATOM 37 C VAL A 4 2.426 -6.142 7.179 1.00 24.10 C ATOM 38 O VAL A 4 2.717 -6.073 5.979 1.00 74.10 O ATOM 39 CB VAL A 4 0.157 -6.107 8.272 1.00 42.10 C ATOM 40 CG1 VAL A 4 -0.555 -5.322 7.154 1.00 75.15 C ATOM 41 CG2 VAL A 4 -0.841 -6.882 9.160 1.00 34.12 C ATOM 0 H VAL A 4 1.279 -7.908 9.593 1.00 75.44 H new ATOM 0 HA VAL A 4 0.875 -7.655 6.881 1.00 24.44 H new ATOM 0 HB VAL A 4 0.647 -5.378 8.918 1.00 42.10 H new ATOM 0 HG11 VAL A 4 -1.325 -4.685 7.590 1.00 75.15 H new ATOM 0 HG12 VAL A 4 0.170 -4.704 6.624 1.00 75.15 H new ATOM 0 HG13 VAL A 4 -1.015 -6.021 6.455 1.00 75.15 H new ATOM 0 HG21 VAL A 4 -1.598 -6.196 9.540 1.00 34.12 H new ATOM 0 HG22 VAL A 4 -1.322 -7.663 8.571 1.00 34.12 H new ATOM 0 HG23 VAL A 4 -0.308 -7.334 9.997 1.00 34.12 H new ATOM 51 N LYS A 5 3.074 -5.514 8.179 1.00 5.13 N ATOM 52 CA LYS A 5 3.987 -4.392 7.946 1.00 0.55 C ATOM 53 C LYS A 5 5.162 -4.790 7.043 1.00 53.04 C ATOM 54 O LYS A 5 5.355 -4.173 6.002 1.00 1.24 O ATOM 55 CB LYS A 5 4.502 -3.782 9.279 1.00 14.02 C ATOM 56 CG LYS A 5 5.260 -2.452 9.091 1.00 30.44 C ATOM 57 CD LYS A 5 5.768 -1.846 10.413 1.00 43.43 C ATOM 58 CE LYS A 5 6.557 -0.551 10.178 1.00 50.31 C ATOM 59 NZ LYS A 5 7.715 -0.764 9.276 1.00 13.52 N ATOM 0 H LYS A 5 2.977 -5.772 9.161 1.00 5.13 H new ATOM 0 HA LYS A 5 3.412 -3.625 7.427 1.00 0.55 H new ATOM 0 HB2 LYS A 5 3.656 -3.618 9.946 1.00 14.02 H new ATOM 0 HB3 LYS A 5 5.159 -4.500 9.769 1.00 14.02 H new ATOM 0 HG2 LYS A 5 6.108 -2.616 8.426 1.00 30.44 H new ATOM 0 HG3 LYS A 5 4.603 -1.734 8.599 1.00 30.44 H new ATOM 0 HD2 LYS A 5 4.922 -1.642 11.069 1.00 43.43 H new ATOM 0 HD3 LYS A 5 6.401 -2.570 10.925 1.00 43.43 H new ATOM 0 HE2 LYS A 5 5.897 0.203 9.749 1.00 50.31 H new ATOM 0 HE3 LYS A 5 6.908 -0.161 11.134 1.00 50.31 H new ATOM 0 HZ1 LYS A 5 8.571 -0.361 9.708 1.00 13.52 H new ATOM 0 HZ2 LYS A 5 7.852 -1.783 9.122 1.00 13.52 H new ATOM 0 HZ3 LYS A 5 7.535 -0.298 8.364 1.00 13.52 H new ATOM 73 N GLU A 6 5.933 -5.828 7.448 1.00 73.03 N ATOM 74 CA GLU A 6 7.127 -6.329 6.725 1.00 33.30 C ATOM 75 C GLU A 6 6.846 -6.672 5.237 1.00 73.33 C ATOM 76 O GLU A 6 7.688 -6.405 4.370 1.00 22.41 O ATOM 77 CB GLU A 6 7.667 -7.571 7.478 1.00 73.13 C ATOM 78 CG GLU A 6 6.667 -8.747 7.556 1.00 45.54 C ATOM 79 CD GLU A 6 7.167 -9.935 8.379 1.00 12.42 C ATOM 80 OE1 GLU A 6 6.935 -9.964 9.604 1.00 14.53 O ATOM 81 OE2 GLU A 6 7.792 -10.850 7.800 1.00 3.53 O ATOM 0 H GLU A 6 5.739 -6.350 8.302 1.00 73.03 H new ATOM 0 HA GLU A 6 7.870 -5.531 6.707 1.00 33.30 H new ATOM 0 HB2 GLU A 6 8.577 -7.914 6.985 1.00 73.13 H new ATOM 0 HB3 GLU A 6 7.944 -7.277 8.490 1.00 73.13 H new ATOM 0 HG2 GLU A 6 5.732 -8.388 7.986 1.00 45.54 H new ATOM 0 HG3 GLU A 6 6.442 -9.087 6.545 1.00 45.54 H new ATOM 88 N LYS A 7 5.685 -7.308 4.976 1.00 61.23 N ATOM 89 CA LYS A 7 5.242 -7.640 3.601 1.00 71.12 C ATOM 90 C LYS A 7 5.025 -6.367 2.768 1.00 54.42 C ATOM 91 O LYS A 7 5.415 -6.302 1.590 1.00 12.11 O ATOM 92 CB LYS A 7 3.939 -8.472 3.634 1.00 20.33 C ATOM 93 CG LYS A 7 4.053 -9.824 4.364 1.00 53.03 C ATOM 94 CD LYS A 7 2.727 -10.616 4.318 1.00 55.13 C ATOM 95 CE LYS A 7 2.785 -11.938 5.086 1.00 51.31 C ATOM 96 NZ LYS A 7 3.847 -12.843 4.580 1.00 32.23 N ATOM 0 H LYS A 7 5.033 -7.604 5.702 1.00 61.23 H new ATOM 0 HA LYS A 7 6.029 -8.231 3.133 1.00 71.12 H new ATOM 0 HB2 LYS A 7 3.159 -7.881 4.114 1.00 20.33 H new ATOM 0 HB3 LYS A 7 3.615 -8.655 2.609 1.00 20.33 H new ATOM 0 HG2 LYS A 7 4.846 -10.417 3.909 1.00 53.03 H new ATOM 0 HG3 LYS A 7 4.338 -9.653 5.402 1.00 53.03 H new ATOM 0 HD2 LYS A 7 1.929 -9.999 4.730 1.00 55.13 H new ATOM 0 HD3 LYS A 7 2.469 -10.819 3.279 1.00 55.13 H new ATOM 0 HE2 LYS A 7 2.959 -11.733 6.142 1.00 51.31 H new ATOM 0 HE3 LYS A 7 1.820 -12.439 5.013 1.00 51.31 H new ATOM 0 HZ1 LYS A 7 3.790 -13.756 5.075 1.00 32.23 H new ATOM 0 HZ2 LYS A 7 3.717 -12.994 3.559 1.00 32.23 H new ATOM 0 HZ3 LYS A 7 4.779 -12.414 4.751 1.00 32.23 H new ATOM 110 N LEU A 8 4.398 -5.365 3.408 1.00 2.41 N ATOM 111 CA LEU A 8 4.168 -4.045 2.814 1.00 32.24 C ATOM 112 C LEU A 8 5.510 -3.329 2.563 1.00 23.14 C ATOM 113 O LEU A 8 5.640 -2.635 1.571 1.00 43.05 O ATOM 114 CB LEU A 8 3.257 -3.181 3.730 1.00 1.54 C ATOM 115 CG LEU A 8 1.785 -3.665 3.924 1.00 22.13 C ATOM 116 CD1 LEU A 8 1.045 -2.794 4.958 1.00 73.15 C ATOM 117 CD2 LEU A 8 1.025 -3.692 2.588 1.00 54.34 C ATOM 0 H LEU A 8 4.036 -5.453 4.358 1.00 2.41 H new ATOM 0 HA LEU A 8 3.661 -4.182 1.859 1.00 32.24 H new ATOM 0 HB2 LEU A 8 3.726 -3.119 4.712 1.00 1.54 H new ATOM 0 HB3 LEU A 8 3.231 -2.170 3.325 1.00 1.54 H new ATOM 0 HG LEU A 8 1.823 -4.685 4.307 1.00 22.13 H new ATOM 0 HD11 LEU A 8 0.023 -3.154 5.072 1.00 73.15 H new ATOM 0 HD12 LEU A 8 1.560 -2.852 5.917 1.00 73.15 H new ATOM 0 HD13 LEU A 8 1.029 -1.759 4.617 1.00 73.15 H new ATOM 0 HD21 LEU A 8 0.004 -4.033 2.757 1.00 54.34 H new ATOM 0 HD22 LEU A 8 1.007 -2.690 2.160 1.00 54.34 H new ATOM 0 HD23 LEU A 8 1.525 -4.372 1.899 1.00 54.34 H new ATOM 129 N GLU A 9 6.500 -3.545 3.475 1.00 35.33 N ATOM 130 CA GLU A 9 7.845 -2.925 3.370 1.00 73.43 C ATOM 131 C GLU A 9 8.592 -3.437 2.128 1.00 70.34 C ATOM 132 O GLU A 9 9.223 -2.654 1.417 1.00 0.22 O ATOM 133 CB GLU A 9 8.716 -3.194 4.630 1.00 51.13 C ATOM 134 CG GLU A 9 8.146 -2.688 5.967 1.00 35.33 C ATOM 135 CD GLU A 9 7.794 -1.191 5.988 1.00 62.31 C ATOM 136 OE1 GLU A 9 6.622 -0.846 6.253 1.00 12.31 O ATOM 137 OE2 GLU A 9 8.698 -0.352 5.779 1.00 62.34 O ATOM 0 H GLU A 9 6.387 -4.146 4.291 1.00 35.33 H new ATOM 0 HA GLU A 9 7.682 -1.851 3.285 1.00 73.43 H new ATOM 0 HB2 GLU A 9 8.879 -4.269 4.711 1.00 51.13 H new ATOM 0 HB3 GLU A 9 9.692 -2.734 4.477 1.00 51.13 H new ATOM 0 HG2 GLU A 9 7.250 -3.262 6.205 1.00 35.33 H new ATOM 0 HG3 GLU A 9 8.872 -2.888 6.755 1.00 35.33 H new ATOM 144 N LYS A 10 8.503 -4.771 1.883 1.00 74.22 N ATOM 145 CA LYS A 10 9.094 -5.428 0.700 1.00 33.25 C ATOM 146 C LYS A 10 8.489 -4.838 -0.579 1.00 52.30 C ATOM 147 O LYS A 10 9.208 -4.392 -1.476 1.00 43.53 O ATOM 148 CB LYS A 10 8.842 -6.966 0.737 1.00 15.42 C ATOM 149 CG LYS A 10 9.444 -7.708 1.946 1.00 2.11 C ATOM 150 CD LYS A 10 10.980 -7.570 2.043 1.00 74.13 C ATOM 151 CE LYS A 10 11.563 -8.313 3.259 1.00 45.23 C ATOM 152 NZ LYS A 10 10.966 -7.839 4.533 1.00 0.13 N ATOM 0 H LYS A 10 8.017 -5.417 2.505 1.00 74.22 H new ATOM 0 HA LYS A 10 10.170 -5.252 0.711 1.00 33.25 H new ATOM 0 HB2 LYS A 10 7.766 -7.141 0.725 1.00 15.42 H new ATOM 0 HB3 LYS A 10 9.247 -7.405 -0.175 1.00 15.42 H new ATOM 0 HG2 LYS A 10 8.993 -7.324 2.861 1.00 2.11 H new ATOM 0 HG3 LYS A 10 9.184 -8.765 1.882 1.00 2.11 H new ATOM 0 HD2 LYS A 10 11.435 -7.958 1.132 1.00 74.13 H new ATOM 0 HD3 LYS A 10 11.243 -6.514 2.106 1.00 74.13 H new ATOM 0 HE2 LYS A 10 11.386 -9.383 3.150 1.00 45.23 H new ATOM 0 HE3 LYS A 10 12.643 -8.170 3.289 1.00 45.23 H new ATOM 0 HZ1 LYS A 10 11.508 -8.222 5.334 1.00 0.13 H new ATOM 0 HZ2 LYS A 10 10.991 -6.800 4.563 1.00 0.13 H new ATOM 0 HZ3 LYS A 10 9.980 -8.163 4.596 1.00 0.13 H new ATOM 166 N ALA A 11 7.143 -4.805 -0.585 1.00 1.54 N ATOM 167 CA ALA A 11 6.338 -4.299 -1.704 1.00 1.22 C ATOM 168 C ALA A 11 6.684 -2.834 -2.023 1.00 64.32 C ATOM 169 O ALA A 11 6.867 -2.481 -3.186 1.00 61.21 O ATOM 170 CB ALA A 11 4.851 -4.462 -1.370 1.00 72.35 C ATOM 0 H ALA A 11 6.580 -5.134 0.199 1.00 1.54 H new ATOM 0 HA ALA A 11 6.566 -4.879 -2.598 1.00 1.22 H new ATOM 0 HB1 ALA A 11 4.249 -4.088 -2.198 1.00 72.35 H new ATOM 0 HB2 ALA A 11 4.628 -5.516 -1.207 1.00 72.35 H new ATOM 0 HB3 ALA A 11 4.617 -3.898 -0.467 1.00 72.35 H new ATOM 176 N LEU A 12 6.780 -2.012 -0.947 1.00 22.05 N ATOM 177 CA LEU A 12 7.144 -0.580 -1.013 1.00 3.32 C ATOM 178 C LEU A 12 8.450 -0.371 -1.791 1.00 1.21 C ATOM 179 O LEU A 12 8.500 0.453 -2.700 1.00 72.22 O ATOM 180 CB LEU A 12 7.273 0.024 0.424 1.00 15.24 C ATOM 181 CG LEU A 12 5.945 0.425 1.139 1.00 12.10 C ATOM 182 CD1 LEU A 12 6.205 0.760 2.626 1.00 72.01 C ATOM 183 CD2 LEU A 12 5.241 1.596 0.406 1.00 53.33 C ATOM 0 H LEU A 12 6.603 -2.334 0.004 1.00 22.05 H new ATOM 0 HA LEU A 12 6.345 -0.062 -1.543 1.00 3.32 H new ATOM 0 HB2 LEU A 12 7.792 -0.700 1.052 1.00 15.24 H new ATOM 0 HB3 LEU A 12 7.908 0.908 0.366 1.00 15.24 H new ATOM 0 HG LEU A 12 5.270 -0.430 1.102 1.00 12.10 H new ATOM 0 HD11 LEU A 12 5.266 1.037 3.106 1.00 72.01 H new ATOM 0 HD12 LEU A 12 6.625 -0.112 3.127 1.00 72.01 H new ATOM 0 HD13 LEU A 12 6.907 1.591 2.694 1.00 72.01 H new ATOM 0 HD21 LEU A 12 4.319 1.851 0.929 1.00 53.33 H new ATOM 0 HD22 LEU A 12 5.901 2.464 0.389 1.00 53.33 H new ATOM 0 HD23 LEU A 12 5.007 1.298 -0.616 1.00 53.33 H new ATOM 195 N ILE A 13 9.495 -1.134 -1.419 1.00 22.43 N ATOM 196 CA ILE A 13 10.826 -1.046 -2.046 1.00 34.33 C ATOM 197 C ILE A 13 10.750 -1.475 -3.532 1.00 55.20 C ATOM 198 O ILE A 13 11.245 -0.766 -4.412 1.00 60.12 O ATOM 199 CB ILE A 13 11.874 -1.925 -1.263 1.00 35.42 C ATOM 200 CG1 ILE A 13 11.925 -1.507 0.245 1.00 4.05 C ATOM 201 CG2 ILE A 13 13.283 -1.842 -1.901 1.00 33.15 C ATOM 202 CD1 ILE A 13 12.752 -2.423 1.134 1.00 3.54 C ATOM 0 H ILE A 13 9.439 -1.829 -0.675 1.00 22.43 H new ATOM 0 HA ILE A 13 11.159 -0.009 -2.003 1.00 34.33 H new ATOM 0 HB ILE A 13 11.546 -2.963 -1.327 1.00 35.42 H new ATOM 0 HG12 ILE A 13 12.328 -0.497 0.314 1.00 4.05 H new ATOM 0 HG13 ILE A 13 10.907 -1.471 0.632 1.00 4.05 H new ATOM 0 HG21 ILE A 13 13.977 -2.461 -1.333 1.00 33.15 H new ATOM 0 HG22 ILE A 13 13.238 -2.198 -2.930 1.00 33.15 H new ATOM 0 HG23 ILE A 13 13.627 -0.808 -1.890 1.00 33.15 H new ATOM 0 HD11 ILE A 13 12.728 -2.054 2.159 1.00 3.54 H new ATOM 0 HD12 ILE A 13 12.339 -3.431 1.102 1.00 3.54 H new ATOM 0 HD13 ILE A 13 13.782 -2.442 0.779 1.00 3.54 H new ATOM 214 N GLU A 14 10.075 -2.618 -3.792 1.00 55.30 N ATOM 215 CA GLU A 14 9.926 -3.183 -5.156 1.00 42.43 C ATOM 216 C GLU A 14 9.269 -2.183 -6.131 1.00 61.13 C ATOM 217 O GLU A 14 9.707 -2.043 -7.284 1.00 60.34 O ATOM 218 CB GLU A 14 9.109 -4.506 -5.101 1.00 62.10 C ATOM 219 CG GLU A 14 9.807 -5.657 -4.355 1.00 63.02 C ATOM 220 CD GLU A 14 11.161 -6.046 -4.974 1.00 25.54 C ATOM 221 OE1 GLU A 14 12.217 -5.622 -4.448 1.00 33.32 O ATOM 222 OE2 GLU A 14 11.176 -6.761 -5.999 1.00 4.21 O ATOM 0 H GLU A 14 9.620 -3.173 -3.067 1.00 55.30 H new ATOM 0 HA GLU A 14 10.926 -3.393 -5.536 1.00 42.43 H new ATOM 0 HB2 GLU A 14 8.151 -4.307 -4.621 1.00 62.10 H new ATOM 0 HB3 GLU A 14 8.894 -4.828 -6.120 1.00 62.10 H new ATOM 0 HG2 GLU A 14 9.960 -5.368 -3.315 1.00 63.02 H new ATOM 0 HG3 GLU A 14 9.153 -6.529 -4.351 1.00 63.02 H new ATOM 229 N VAL A 15 8.241 -1.462 -5.640 1.00 11.24 N ATOM 230 CA VAL A 15 7.469 -0.502 -6.445 1.00 50.13 C ATOM 231 C VAL A 15 8.022 0.944 -6.309 1.00 45.32 C ATOM 232 O VAL A 15 7.593 1.826 -7.044 1.00 71.41 O ATOM 233 CB VAL A 15 5.940 -0.557 -6.066 1.00 33.34 C ATOM 234 CG1 VAL A 15 5.382 -1.998 -6.220 1.00 50.30 C ATOM 235 CG2 VAL A 15 5.667 0.017 -4.648 1.00 11.31 C ATOM 0 H VAL A 15 7.925 -1.531 -4.673 1.00 11.24 H new ATOM 0 HA VAL A 15 7.576 -0.792 -7.490 1.00 50.13 H new ATOM 0 HB VAL A 15 5.407 0.084 -6.768 1.00 33.34 H new ATOM 0 HG11 VAL A 15 4.325 -2.010 -5.953 1.00 50.30 H new ATOM 0 HG12 VAL A 15 5.498 -2.325 -7.253 1.00 50.30 H new ATOM 0 HG13 VAL A 15 5.930 -2.673 -5.562 1.00 50.30 H new ATOM 0 HG21 VAL A 15 4.600 -0.042 -4.431 1.00 11.31 H new ATOM 0 HG22 VAL A 15 6.220 -0.562 -3.908 1.00 11.31 H new ATOM 0 HG23 VAL A 15 5.988 1.058 -4.609 1.00 11.31 H new ATOM 245 N ARG A 16 8.943 1.145 -5.330 1.00 53.23 N ATOM 246 CA ARG A 16 9.550 2.486 -5.026 1.00 55.15 C ATOM 247 C ARG A 16 9.965 3.311 -6.285 1.00 22.45 C ATOM 248 O ARG A 16 9.542 4.469 -6.400 1.00 75.13 O ATOM 249 CB ARG A 16 10.753 2.384 -4.036 1.00 1.02 C ATOM 250 CG ARG A 16 11.380 3.745 -3.664 1.00 51.42 C ATOM 251 CD ARG A 16 12.540 3.642 -2.662 1.00 22.43 C ATOM 252 NE ARG A 16 13.000 4.981 -2.244 1.00 3.02 N ATOM 253 CZ ARG A 16 14.170 5.258 -1.643 1.00 25.21 C ATOM 254 NH1 ARG A 16 15.060 4.302 -1.384 1.00 44.41 N ATOM 255 NH2 ARG A 16 14.435 6.510 -1.301 1.00 61.12 N ATOM 0 H ARG A 16 9.289 0.396 -4.730 1.00 53.23 H new ATOM 0 HA ARG A 16 8.740 3.036 -4.546 1.00 55.15 H new ATOM 0 HB2 ARG A 16 10.419 1.889 -3.124 1.00 1.02 H new ATOM 0 HB3 ARG A 16 11.522 1.751 -4.479 1.00 1.02 H new ATOM 0 HG2 ARG A 16 11.739 4.229 -4.572 1.00 51.42 H new ATOM 0 HG3 ARG A 16 10.606 4.388 -3.245 1.00 51.42 H new ATOM 0 HD2 ARG A 16 12.221 3.074 -1.788 1.00 22.43 H new ATOM 0 HD3 ARG A 16 13.367 3.094 -3.113 1.00 22.43 H new ATOM 0 HE ARG A 16 12.375 5.766 -2.428 1.00 3.02 H new ATOM 0 HH11 ARG A 16 14.860 3.336 -1.643 1.00 44.41 H new ATOM 0 HH12 ARG A 16 15.941 4.536 -0.927 1.00 44.41 H new ATOM 0 HH21 ARG A 16 13.756 7.246 -1.494 1.00 61.12 H new ATOM 0 HH22 ARG A 16 15.318 6.738 -0.844 1.00 61.12 H new ATOM 269 N PRO A 17 10.786 2.760 -7.255 1.00 31.32 N ATOM 270 CA PRO A 17 11.211 3.539 -8.465 1.00 74.42 C ATOM 271 C PRO A 17 10.040 3.871 -9.425 1.00 23.34 C ATOM 272 O PRO A 17 10.188 4.716 -10.320 1.00 31.01 O ATOM 273 CB PRO A 17 12.253 2.608 -9.140 1.00 33.30 C ATOM 274 CG PRO A 17 11.881 1.229 -8.684 1.00 64.23 C ATOM 275 CD PRO A 17 11.380 1.384 -7.274 1.00 20.24 C ATOM 0 HA PRO A 17 11.608 4.518 -8.197 1.00 74.42 H new ATOM 0 HB2 PRO A 17 12.213 2.690 -10.226 1.00 33.30 H new ATOM 0 HB3 PRO A 17 13.268 2.865 -8.838 1.00 33.30 H new ATOM 0 HG2 PRO A 17 11.113 0.799 -9.327 1.00 64.23 H new ATOM 0 HG3 PRO A 17 12.740 0.560 -8.722 1.00 64.23 H new ATOM 0 HD2 PRO A 17 10.638 0.625 -7.027 1.00 20.24 H new ATOM 0 HD3 PRO A 17 12.188 1.287 -6.549 1.00 20.24 H new ATOM 283 N TYR A 18 8.885 3.210 -9.226 1.00 22.23 N ATOM 284 CA TYR A 18 7.689 3.373 -10.084 1.00 53.40 C ATOM 285 C TYR A 18 6.663 4.335 -9.455 1.00 21.33 C ATOM 286 O TYR A 18 6.003 5.099 -10.173 1.00 52.11 O ATOM 287 CB TYR A 18 7.027 1.992 -10.334 1.00 72.43 C ATOM 288 CG TYR A 18 7.962 0.967 -10.992 1.00 43.11 C ATOM 289 CD1 TYR A 18 8.244 1.030 -12.359 1.00 73.14 C ATOM 290 CD2 TYR A 18 8.576 -0.051 -10.248 1.00 62.54 C ATOM 291 CE1 TYR A 18 9.095 0.121 -12.958 1.00 24.32 C ATOM 292 CE2 TYR A 18 9.429 -0.957 -10.849 1.00 44.22 C ATOM 293 CZ TYR A 18 9.683 -0.867 -12.200 1.00 14.31 C ATOM 294 OH TYR A 18 10.532 -1.772 -12.794 1.00 10.14 O ATOM 0 H TYR A 18 8.751 2.545 -8.464 1.00 22.23 H new ATOM 0 HA TYR A 18 8.015 3.803 -11.031 1.00 53.40 H new ATOM 0 HB2 TYR A 18 6.675 1.591 -9.384 1.00 72.43 H new ATOM 0 HB3 TYR A 18 6.150 2.129 -10.967 1.00 72.43 H new ATOM 0 HD1 TYR A 18 7.788 1.804 -12.959 1.00 73.14 H new ATOM 0 HD2 TYR A 18 8.379 -0.128 -9.189 1.00 62.54 H new ATOM 0 HE1 TYR A 18 9.298 0.185 -14.017 1.00 24.32 H new ATOM 0 HE2 TYR A 18 9.895 -1.734 -10.261 1.00 44.22 H new ATOM 0 HH TYR A 18 10.862 -2.402 -12.120 1.00 10.14 H new ATOM 304 N VAL A 19 6.535 4.302 -8.118 1.00 3.02 N ATOM 305 CA VAL A 19 5.469 5.024 -7.399 1.00 63.23 C ATOM 306 C VAL A 19 5.879 6.464 -7.049 1.00 34.34 C ATOM 307 O VAL A 19 6.994 6.711 -6.567 1.00 51.34 O ATOM 308 CB VAL A 19 5.003 4.259 -6.103 1.00 3.40 C ATOM 309 CG1 VAL A 19 4.389 2.890 -6.460 1.00 51.32 C ATOM 310 CG2 VAL A 19 6.132 4.119 -5.047 1.00 42.30 C ATOM 0 H VAL A 19 7.162 3.778 -7.508 1.00 3.02 H new ATOM 0 HA VAL A 19 4.623 5.071 -8.085 1.00 63.23 H new ATOM 0 HB VAL A 19 4.228 4.869 -5.640 1.00 3.40 H new ATOM 0 HG11 VAL A 19 4.076 2.383 -5.548 1.00 51.32 H new ATOM 0 HG12 VAL A 19 3.525 3.037 -7.109 1.00 51.32 H new ATOM 0 HG13 VAL A 19 5.132 2.282 -6.977 1.00 51.32 H new ATOM 0 HG21 VAL A 19 5.752 3.584 -4.177 1.00 42.30 H new ATOM 0 HG22 VAL A 19 6.966 3.565 -5.478 1.00 42.30 H new ATOM 0 HG23 VAL A 19 6.472 5.109 -4.744 1.00 42.30 H new ATOM 320 N GLU A 20 4.975 7.412 -7.341 1.00 12.25 N ATOM 321 CA GLU A 20 5.074 8.800 -6.868 1.00 51.05 C ATOM 322 C GLU A 20 4.646 8.864 -5.390 1.00 3.53 C ATOM 323 O GLU A 20 3.893 8.013 -4.945 1.00 31.52 O ATOM 324 CB GLU A 20 4.181 9.715 -7.745 1.00 3.32 C ATOM 325 CG GLU A 20 4.190 11.211 -7.363 1.00 33.13 C ATOM 326 CD GLU A 20 5.594 11.843 -7.386 1.00 15.25 C ATOM 327 OE1 GLU A 20 6.178 11.959 -8.482 1.00 42.14 O ATOM 328 OE2 GLU A 20 6.123 12.216 -6.315 1.00 71.21 O ATOM 0 H GLU A 20 4.151 7.235 -7.915 1.00 12.25 H new ATOM 0 HA GLU A 20 6.103 9.149 -6.949 1.00 51.05 H new ATOM 0 HB2 GLU A 20 4.501 9.620 -8.783 1.00 3.32 H new ATOM 0 HB3 GLU A 20 3.155 9.350 -7.694 1.00 3.32 H new ATOM 0 HG2 GLU A 20 3.543 11.757 -8.050 1.00 33.13 H new ATOM 0 HG3 GLU A 20 3.765 11.326 -6.366 1.00 33.13 H new ATOM 335 N TYR A 21 5.170 9.849 -4.641 1.00 62.44 N ATOM 336 CA TYR A 21 4.825 10.077 -3.227 1.00 12.04 C ATOM 337 C TYR A 21 5.081 8.825 -2.370 1.00 64.32 C ATOM 338 O TYR A 21 4.221 8.394 -1.586 1.00 30.33 O ATOM 339 CB TYR A 21 3.366 10.594 -3.089 1.00 1.53 C ATOM 340 CG TYR A 21 3.157 11.998 -3.663 1.00 54.20 C ATOM 341 CD1 TYR A 21 4.062 13.024 -3.373 1.00 73.14 C ATOM 342 CD2 TYR A 21 2.073 12.301 -4.488 1.00 71.24 C ATOM 343 CE1 TYR A 21 3.896 14.289 -3.890 1.00 42.33 C ATOM 344 CE2 TYR A 21 1.908 13.573 -5.001 1.00 4.52 C ATOM 345 CZ TYR A 21 2.818 14.557 -4.703 1.00 50.54 C ATOM 346 OH TYR A 21 2.650 15.822 -5.224 1.00 64.51 O ATOM 0 H TYR A 21 5.852 10.516 -5.003 1.00 62.44 H new ATOM 0 HA TYR A 21 5.484 10.855 -2.843 1.00 12.04 H new ATOM 0 HB2 TYR A 21 2.694 9.900 -3.594 1.00 1.53 H new ATOM 0 HB3 TYR A 21 3.088 10.596 -2.035 1.00 1.53 H new ATOM 0 HD1 TYR A 21 4.907 12.820 -2.732 1.00 73.14 H new ATOM 0 HD2 TYR A 21 1.354 11.532 -4.728 1.00 71.24 H new ATOM 0 HE1 TYR A 21 4.608 15.067 -3.659 1.00 42.33 H new ATOM 0 HE2 TYR A 21 1.063 13.793 -5.637 1.00 4.52 H new ATOM 0 HH TYR A 21 1.841 15.843 -5.777 1.00 64.51 H new ATOM 356 N TYR A 22 6.300 8.268 -2.541 1.00 30.10 N ATOM 357 CA TYR A 22 6.766 7.091 -1.790 1.00 64.50 C ATOM 358 C TYR A 22 6.629 7.296 -0.266 1.00 32.23 C ATOM 359 O TYR A 22 6.275 6.365 0.450 1.00 12.50 O ATOM 360 CB TYR A 22 8.235 6.740 -2.150 1.00 23.52 C ATOM 361 CG TYR A 22 8.746 5.492 -1.404 1.00 32.41 C ATOM 362 CD1 TYR A 22 8.164 4.245 -1.637 1.00 51.34 C ATOM 363 CD2 TYR A 22 9.761 5.562 -0.434 1.00 2.12 C ATOM 364 CE1 TYR A 22 8.575 3.128 -0.949 1.00 4.24 C ATOM 365 CE2 TYR A 22 10.165 4.432 0.262 1.00 75.04 C ATOM 366 CZ TYR A 22 9.565 3.221 -0.003 1.00 71.21 C ATOM 367 OH TYR A 22 9.961 2.096 0.685 1.00 4.01 O ATOM 0 H TYR A 22 6.986 8.626 -3.206 1.00 30.10 H new ATOM 0 HA TYR A 22 6.127 6.257 -2.080 1.00 64.50 H new ATOM 0 HB2 TYR A 22 8.312 6.573 -3.224 1.00 23.52 H new ATOM 0 HB3 TYR A 22 8.876 7.589 -1.912 1.00 23.52 H new ATOM 0 HD1 TYR A 22 7.377 4.156 -2.371 1.00 51.34 H new ATOM 0 HD2 TYR A 22 10.234 6.511 -0.227 1.00 2.12 H new ATOM 0 HE1 TYR A 22 8.116 2.172 -1.154 1.00 4.24 H new ATOM 0 HE2 TYR A 22 10.944 4.501 1.006 1.00 75.04 H new ATOM 0 HH TYR A 22 10.672 2.332 1.317 1.00 4.01 H new ATOM 377 N ASN A 23 6.893 8.530 0.202 1.00 55.33 N ATOM 378 CA ASN A 23 6.816 8.884 1.637 1.00 14.22 C ATOM 379 C ASN A 23 5.355 8.932 2.133 1.00 44.03 C ATOM 380 O ASN A 23 5.088 8.622 3.299 1.00 3.51 O ATOM 381 CB ASN A 23 7.535 10.230 1.903 1.00 5.03 C ATOM 382 CG ASN A 23 9.045 10.155 1.637 1.00 43.14 C ATOM 383 OD1 ASN A 23 9.511 10.408 0.524 1.00 51.44 O ATOM 384 ND2 ASN A 23 9.821 9.801 2.652 1.00 33.03 N ATOM 0 H ASN A 23 7.165 9.309 -0.398 1.00 55.33 H new ATOM 0 HA ASN A 23 7.325 8.102 2.201 1.00 14.22 H new ATOM 0 HB2 ASN A 23 7.097 11.003 1.272 1.00 5.03 H new ATOM 0 HB3 ASN A 23 7.366 10.530 2.937 1.00 5.03 H new ATOM 0 HD21 ASN A 23 10.830 9.732 2.522 1.00 33.03 H new ATOM 0 HD22 ASN A 23 9.409 9.597 3.562 1.00 33.03 H new ATOM 391 N GLU A 24 4.408 9.309 1.243 1.00 25.41 N ATOM 392 CA GLU A 24 2.968 9.346 1.573 1.00 11.21 C ATOM 393 C GLU A 24 2.415 7.923 1.711 1.00 51.31 C ATOM 394 O GLU A 24 1.829 7.574 2.743 1.00 45.13 O ATOM 395 CB GLU A 24 2.175 10.128 0.491 1.00 2.41 C ATOM 396 CG GLU A 24 2.580 11.601 0.352 1.00 2.04 C ATOM 397 CD GLU A 24 2.302 12.419 1.617 1.00 53.20 C ATOM 398 OE1 GLU A 24 3.260 12.836 2.302 1.00 63.13 O ATOM 399 OE2 GLU A 24 1.115 12.633 1.938 1.00 61.02 O ATOM 0 H GLU A 24 4.619 9.593 0.286 1.00 25.41 H new ATOM 0 HA GLU A 24 2.850 9.862 2.526 1.00 11.21 H new ATOM 0 HB2 GLU A 24 2.311 9.634 -0.471 1.00 2.41 H new ATOM 0 HB3 GLU A 24 1.112 10.076 0.728 1.00 2.41 H new ATOM 0 HG2 GLU A 24 3.642 11.659 0.114 1.00 2.04 H new ATOM 0 HG3 GLU A 24 2.041 12.043 -0.486 1.00 2.04 H new ATOM 406 N LEU A 25 2.625 7.105 0.662 1.00 75.44 N ATOM 407 CA LEU A 25 2.187 5.703 0.611 1.00 32.25 C ATOM 408 C LEU A 25 2.805 4.881 1.764 1.00 63.41 C ATOM 409 O LEU A 25 2.120 4.077 2.398 1.00 34.10 O ATOM 410 CB LEU A 25 2.583 5.090 -0.757 1.00 44.04 C ATOM 411 CG LEU A 25 2.142 3.613 -0.999 1.00 10.44 C ATOM 412 CD1 LEU A 25 0.599 3.462 -0.973 1.00 35.24 C ATOM 413 CD2 LEU A 25 2.761 3.059 -2.304 1.00 62.22 C ATOM 0 H LEU A 25 3.110 7.406 -0.183 1.00 75.44 H new ATOM 0 HA LEU A 25 1.104 5.673 0.726 1.00 32.25 H new ATOM 0 HB2 LEU A 25 2.158 5.709 -1.547 1.00 44.04 H new ATOM 0 HB3 LEU A 25 3.667 5.146 -0.857 1.00 44.04 H new ATOM 0 HG LEU A 25 2.525 3.011 -0.175 1.00 10.44 H new ATOM 0 HD11 LEU A 25 0.333 2.419 -1.145 1.00 35.24 H new ATOM 0 HD12 LEU A 25 0.219 3.778 -0.002 1.00 35.24 H new ATOM 0 HD13 LEU A 25 0.159 4.083 -1.754 1.00 35.24 H new ATOM 0 HD21 LEU A 25 2.439 2.028 -2.451 1.00 62.22 H new ATOM 0 HD22 LEU A 25 2.433 3.665 -3.148 1.00 62.22 H new ATOM 0 HD23 LEU A 25 3.848 3.093 -2.234 1.00 62.22 H new ATOM 425 N LYS A 26 4.124 5.071 1.969 1.00 64.22 N ATOM 426 CA LYS A 26 4.862 4.455 3.099 1.00 24.15 C ATOM 427 C LYS A 26 4.222 4.823 4.463 1.00 22.01 C ATOM 428 O LYS A 26 4.210 4.001 5.382 1.00 43.23 O ATOM 429 CB LYS A 26 6.369 4.851 3.071 1.00 61.15 C ATOM 430 CG LYS A 26 7.275 4.068 4.051 1.00 12.23 C ATOM 431 CD LYS A 26 8.767 4.463 3.949 1.00 32.15 C ATOM 432 CE LYS A 26 9.041 5.905 4.417 1.00 12.30 C ATOM 433 NZ LYS A 26 8.730 6.102 5.860 1.00 61.21 N ATOM 0 H LYS A 26 4.707 5.650 1.364 1.00 64.22 H new ATOM 0 HA LYS A 26 4.794 3.374 2.980 1.00 24.15 H new ATOM 0 HB2 LYS A 26 6.747 4.708 2.059 1.00 61.15 H new ATOM 0 HB3 LYS A 26 6.453 5.914 3.295 1.00 61.15 H new ATOM 0 HG2 LYS A 26 6.929 4.239 5.071 1.00 12.23 H new ATOM 0 HG3 LYS A 26 7.174 3.001 3.855 1.00 12.23 H new ATOM 0 HD2 LYS A 26 9.362 3.773 4.548 1.00 32.15 H new ATOM 0 HD3 LYS A 26 9.096 4.353 2.916 1.00 32.15 H new ATOM 0 HE2 LYS A 26 10.088 6.150 4.237 1.00 12.30 H new ATOM 0 HE3 LYS A 26 8.445 6.597 3.822 1.00 12.30 H new ATOM 0 HZ1 LYS A 26 9.040 7.049 6.156 1.00 61.21 H new ATOM 0 HZ2 LYS A 26 7.705 6.011 6.010 1.00 61.21 H new ATOM 0 HZ3 LYS A 26 9.227 5.383 6.424 1.00 61.21 H new ATOM 447 N ALA A 27 3.658 6.053 4.577 1.00 30.11 N ATOM 448 CA ALA A 27 2.965 6.514 5.800 1.00 63.42 C ATOM 449 C ALA A 27 1.591 5.838 5.934 1.00 73.04 C ATOM 450 O ALA A 27 1.167 5.504 7.042 1.00 50.31 O ATOM 451 CB ALA A 27 2.826 8.044 5.792 1.00 51.15 C ATOM 0 H ALA A 27 3.672 6.745 3.828 1.00 30.11 H new ATOM 0 HA ALA A 27 3.564 6.230 6.665 1.00 63.42 H new ATOM 0 HB1 ALA A 27 2.314 8.368 6.698 1.00 51.15 H new ATOM 0 HB2 ALA A 27 3.816 8.499 5.752 1.00 51.15 H new ATOM 0 HB3 ALA A 27 2.249 8.352 4.920 1.00 51.15 H new ATOM 457 N LEU A 28 0.904 5.640 4.785 1.00 23.21 N ATOM 458 CA LEU A 28 -0.404 4.953 4.734 1.00 72.21 C ATOM 459 C LEU A 28 -0.244 3.471 5.154 1.00 0.10 C ATOM 460 O LEU A 28 -1.084 2.934 5.867 1.00 71.12 O ATOM 461 CB LEU A 28 -1.025 5.090 3.310 1.00 32.44 C ATOM 462 CG LEU A 28 -2.466 4.509 3.108 1.00 45.53 C ATOM 463 CD1 LEU A 28 -3.490 5.130 4.094 1.00 71.13 C ATOM 464 CD2 LEU A 28 -2.927 4.675 1.634 1.00 12.12 C ATOM 0 H LEU A 28 1.240 5.951 3.873 1.00 23.21 H new ATOM 0 HA LEU A 28 -1.089 5.423 5.440 1.00 72.21 H new ATOM 0 HB2 LEU A 28 -1.046 6.148 3.049 1.00 32.44 H new ATOM 0 HB3 LEU A 28 -0.359 4.600 2.600 1.00 32.44 H new ATOM 0 HG LEU A 28 -2.421 3.443 3.332 1.00 45.53 H new ATOM 0 HD11 LEU A 28 -4.474 4.697 3.917 1.00 71.13 H new ATOM 0 HD12 LEU A 28 -3.181 4.922 5.118 1.00 71.13 H new ATOM 0 HD13 LEU A 28 -3.535 6.208 3.941 1.00 71.13 H new ATOM 0 HD21 LEU A 28 -3.930 4.264 1.518 1.00 12.12 H new ATOM 0 HD22 LEU A 28 -2.936 5.733 1.372 1.00 12.12 H new ATOM 0 HD23 LEU A 28 -2.239 4.144 0.976 1.00 12.12 H new ATOM 476 N VAL A 29 0.868 2.846 4.712 1.00 3.42 N ATOM 477 CA VAL A 29 1.321 1.508 5.162 1.00 23.30 C ATOM 478 C VAL A 29 1.565 1.478 6.686 1.00 73.12 C ATOM 479 O VAL A 29 1.096 0.579 7.387 1.00 1.24 O ATOM 480 CB VAL A 29 2.631 1.092 4.380 1.00 51.34 C ATOM 481 CG1 VAL A 29 3.474 0.029 5.132 1.00 1.11 C ATOM 482 CG2 VAL A 29 2.282 0.626 2.945 1.00 11.12 C ATOM 0 H VAL A 29 1.489 3.263 4.019 1.00 3.42 H new ATOM 0 HA VAL A 29 0.532 0.789 4.943 1.00 23.30 H new ATOM 0 HB VAL A 29 3.258 1.981 4.315 1.00 51.34 H new ATOM 0 HG11 VAL A 29 4.359 -0.215 4.545 1.00 1.11 H new ATOM 0 HG12 VAL A 29 3.779 0.425 6.101 1.00 1.11 H new ATOM 0 HG13 VAL A 29 2.877 -0.871 5.280 1.00 1.11 H new ATOM 0 HG21 VAL A 29 3.196 0.344 2.422 1.00 11.12 H new ATOM 0 HG22 VAL A 29 1.612 -0.232 2.994 1.00 11.12 H new ATOM 0 HG23 VAL A 29 1.792 1.438 2.408 1.00 11.12 H new ATOM 492 N SER A 30 2.268 2.508 7.164 1.00 20.31 N ATOM 493 CA SER A 30 2.636 2.634 8.587 1.00 31.33 C ATOM 494 C SER A 30 1.374 2.786 9.467 1.00 34.41 C ATOM 495 O SER A 30 1.339 2.335 10.623 1.00 61.25 O ATOM 496 CB SER A 30 3.604 3.822 8.761 1.00 25.31 C ATOM 497 OG SER A 30 4.061 3.946 10.100 1.00 70.52 O ATOM 0 H SER A 30 2.600 3.278 6.583 1.00 20.31 H new ATOM 0 HA SER A 30 3.144 1.727 8.914 1.00 31.33 H new ATOM 0 HB2 SER A 30 4.459 3.693 8.097 1.00 25.31 H new ATOM 0 HB3 SER A 30 3.104 4.743 8.462 1.00 25.31 H new ATOM 0 HG SER A 30 4.673 4.709 10.168 1.00 70.52 H new ATOM 503 N LYS A 31 0.337 3.402 8.874 1.00 24.11 N ATOM 504 CA LYS A 31 -0.983 3.573 9.487 1.00 63.34 C ATOM 505 C LYS A 31 -1.739 2.227 9.543 1.00 74.34 C ATOM 506 O LYS A 31 -2.130 1.769 10.628 1.00 14.54 O ATOM 507 CB LYS A 31 -1.794 4.610 8.665 1.00 44.50 C ATOM 508 CG LYS A 31 -3.220 4.878 9.180 1.00 70.03 C ATOM 509 CD LYS A 31 -4.019 5.808 8.241 1.00 73.30 C ATOM 510 CE LYS A 31 -5.408 6.155 8.798 1.00 23.11 C ATOM 511 NZ LYS A 31 -5.320 6.911 10.078 1.00 72.00 N ATOM 0 H LYS A 31 0.398 3.801 7.937 1.00 24.11 H new ATOM 0 HA LYS A 31 -0.858 3.931 10.509 1.00 63.34 H new ATOM 0 HB2 LYS A 31 -1.245 5.552 8.654 1.00 44.50 H new ATOM 0 HB3 LYS A 31 -1.856 4.265 7.633 1.00 44.50 H new ATOM 0 HG2 LYS A 31 -3.749 3.931 9.286 1.00 70.03 H new ATOM 0 HG3 LYS A 31 -3.167 5.326 10.172 1.00 70.03 H new ATOM 0 HD2 LYS A 31 -3.456 6.727 8.080 1.00 73.30 H new ATOM 0 HD3 LYS A 31 -4.131 5.328 7.269 1.00 73.30 H new ATOM 0 HE2 LYS A 31 -5.956 6.746 8.064 1.00 23.11 H new ATOM 0 HE3 LYS A 31 -5.975 5.238 8.956 1.00 23.11 H new ATOM 0 HZ1 LYS A 31 -6.254 7.300 10.316 1.00 72.00 H new ATOM 0 HZ2 LYS A 31 -5.007 6.273 10.837 1.00 72.00 H new ATOM 0 HZ3 LYS A 31 -4.637 7.688 9.976 1.00 72.00 H new ATOM 525 N ILE A 32 -1.913 1.596 8.358 1.00 75.43 N ATOM 526 CA ILE A 32 -2.803 0.433 8.193 1.00 73.23 C ATOM 527 C ILE A 32 -2.263 -0.810 8.931 1.00 4.21 C ATOM 528 O ILE A 32 -3.035 -1.521 9.539 1.00 42.04 O ATOM 529 CB ILE A 32 -3.106 0.096 6.674 1.00 12.41 C ATOM 530 CG1 ILE A 32 -1.811 -0.305 5.905 1.00 70.35 C ATOM 531 CG2 ILE A 32 -3.825 1.283 5.974 1.00 32.22 C ATOM 532 CD1 ILE A 32 -1.998 -0.649 4.439 1.00 52.42 C ATOM 0 H ILE A 32 -1.442 1.879 7.499 1.00 75.43 H new ATOM 0 HA ILE A 32 -3.751 0.717 8.650 1.00 73.23 H new ATOM 0 HB ILE A 32 -3.775 -0.764 6.657 1.00 12.41 H new ATOM 0 HG12 ILE A 32 -1.097 0.516 5.979 1.00 70.35 H new ATOM 0 HG13 ILE A 32 -1.363 -1.163 6.407 1.00 70.35 H new ATOM 0 HG21 ILE A 32 -4.022 1.026 4.933 1.00 32.22 H new ATOM 0 HG22 ILE A 32 -4.768 1.488 6.482 1.00 32.22 H new ATOM 0 HG23 ILE A 32 -3.191 2.168 6.016 1.00 32.22 H new ATOM 0 HD11 ILE A 32 -1.035 -0.913 4.002 1.00 52.42 H new ATOM 0 HD12 ILE A 32 -2.682 -1.493 4.348 1.00 52.42 H new ATOM 0 HD13 ILE A 32 -2.412 0.212 3.913 1.00 52.42 H new ATOM 544 N SER A 33 -0.940 -1.055 8.861 1.00 64.11 N ATOM 545 CA SER A 33 -0.264 -2.149 9.603 1.00 12.35 C ATOM 546 C SER A 33 -0.567 -2.126 11.121 1.00 20.02 C ATOM 547 O SER A 33 -0.733 -3.180 11.752 1.00 35.11 O ATOM 548 CB SER A 33 1.254 -2.052 9.386 1.00 24.12 C ATOM 549 OG SER A 33 1.572 -2.116 8.009 1.00 51.32 O ATOM 0 H SER A 33 -0.304 -0.501 8.288 1.00 64.11 H new ATOM 0 HA SER A 33 -0.653 -3.089 9.211 1.00 12.35 H new ATOM 0 HB2 SER A 33 1.627 -1.118 9.806 1.00 24.12 H new ATOM 0 HB3 SER A 33 1.754 -2.862 9.917 1.00 24.12 H new ATOM 0 HG SER A 33 1.473 -1.227 7.609 1.00 51.32 H new ATOM 555 N SER A 34 -0.640 -0.904 11.677 1.00 4.52 N ATOM 556 CA SER A 34 -0.908 -0.665 13.111 1.00 41.45 C ATOM 557 C SER A 34 -2.398 -0.892 13.446 1.00 72.24 C ATOM 558 O SER A 34 -2.761 -1.150 14.601 1.00 32.14 O ATOM 559 CB SER A 34 -0.495 0.784 13.464 1.00 73.41 C ATOM 560 OG SER A 34 -0.629 1.057 14.851 1.00 73.52 O ATOM 0 H SER A 34 -0.514 -0.045 11.141 1.00 4.52 H new ATOM 0 HA SER A 34 -0.326 -1.372 13.702 1.00 41.45 H new ATOM 0 HB2 SER A 34 0.539 0.949 13.161 1.00 73.41 H new ATOM 0 HB3 SER A 34 -1.109 1.483 12.897 1.00 73.41 H new ATOM 0 HG SER A 34 -0.357 1.981 15.030 1.00 73.52 H new ATOM 566 N SER A 35 -3.244 -0.775 12.419 1.00 11.34 N ATOM 567 CA SER A 35 -4.705 -0.856 12.549 1.00 3.24 C ATOM 568 C SER A 35 -5.232 -2.289 12.300 1.00 60.22 C ATOM 569 O SER A 35 -6.077 -2.795 13.058 1.00 45.45 O ATOM 570 CB SER A 35 -5.330 0.132 11.542 1.00 73.53 C ATOM 571 OG SER A 35 -4.878 1.464 11.777 1.00 21.12 O ATOM 0 H SER A 35 -2.931 -0.619 11.461 1.00 11.34 H new ATOM 0 HA SER A 35 -4.986 -0.595 13.569 1.00 3.24 H new ATOM 0 HB2 SER A 35 -5.072 -0.168 10.526 1.00 73.53 H new ATOM 0 HB3 SER A 35 -6.417 0.095 11.619 1.00 73.53 H new ATOM 0 HG SER A 35 -3.984 1.579 11.392 1.00 21.12 H new ATOM 577 N VAL A 36 -4.709 -2.942 11.245 1.00 33.42 N ATOM 578 CA VAL A 36 -5.236 -4.212 10.722 1.00 71.34 C ATOM 579 C VAL A 36 -4.437 -5.394 11.282 1.00 63.41 C ATOM 580 O VAL A 36 -3.250 -5.261 11.614 1.00 20.25 O ATOM 581 CB VAL A 36 -5.247 -4.253 9.143 1.00 20.42 C ATOM 582 CG1 VAL A 36 -5.997 -3.036 8.552 1.00 44.10 C ATOM 583 CG2 VAL A 36 -3.825 -4.395 8.544 1.00 74.42 C ATOM 0 H VAL A 36 -3.900 -2.597 10.728 1.00 33.42 H new ATOM 0 HA VAL A 36 -6.272 -4.291 11.053 1.00 71.34 H new ATOM 0 HB VAL A 36 -5.794 -5.151 8.855 1.00 20.42 H new ATOM 0 HG11 VAL A 36 -5.986 -3.095 7.464 1.00 44.10 H new ATOM 0 HG12 VAL A 36 -7.028 -3.038 8.905 1.00 44.10 H new ATOM 0 HG13 VAL A 36 -5.506 -2.116 8.870 1.00 44.10 H new ATOM 0 HG21 VAL A 36 -3.889 -4.418 7.456 1.00 74.42 H new ATOM 0 HG22 VAL A 36 -3.214 -3.547 8.853 1.00 74.42 H new ATOM 0 HG23 VAL A 36 -3.371 -5.319 8.901 1.00 74.42 H new ATOM 593 N ASN A 37 -5.106 -6.551 11.365 1.00 51.02 N ATOM 594 CA ASN A 37 -4.554 -7.767 11.983 1.00 15.14 C ATOM 595 C ASN A 37 -3.703 -8.563 10.978 1.00 64.34 C ATOM 596 O ASN A 37 -2.685 -9.145 11.356 1.00 60.42 O ATOM 597 CB ASN A 37 -5.696 -8.649 12.552 1.00 30.23 C ATOM 598 CG ASN A 37 -6.551 -7.949 13.621 1.00 73.20 C ATOM 599 OD1 ASN A 37 -6.078 -7.080 14.355 1.00 24.32 O ATOM 600 ND2 ASN A 37 -7.818 -8.335 13.723 1.00 70.31 N ATOM 0 H ASN A 37 -6.052 -6.672 11.003 1.00 51.02 H new ATOM 0 HA ASN A 37 -3.904 -7.465 12.805 1.00 15.14 H new ATOM 0 HB2 ASN A 37 -6.342 -8.963 11.732 1.00 30.23 H new ATOM 0 HB3 ASN A 37 -5.264 -9.553 12.981 1.00 30.23 H new ATOM 0 HD21 ASN A 37 -8.426 -7.909 14.423 1.00 70.31 H new ATOM 0 HD22 ASN A 37 -8.183 -9.057 13.102 1.00 70.31 H new ATOM 607 N ASP A 38 -4.101 -8.559 9.684 1.00 34.54 N ATOM 608 CA ASP A 38 -3.447 -9.377 8.633 1.00 70.40 C ATOM 609 C ASP A 38 -3.330 -8.596 7.308 1.00 14.31 C ATOM 610 O ASP A 38 -3.988 -7.565 7.116 1.00 54.53 O ATOM 611 CB ASP A 38 -4.192 -10.721 8.421 1.00 11.23 C ATOM 612 CG ASP A 38 -4.011 -11.708 9.594 1.00 43.11 C ATOM 613 OD1 ASP A 38 -4.897 -11.781 10.474 1.00 42.40 O ATOM 614 OD2 ASP A 38 -2.967 -12.395 9.652 1.00 72.34 O ATOM 0 H ASP A 38 -4.878 -7.994 9.340 1.00 34.54 H new ATOM 0 HA ASP A 38 -2.438 -9.605 8.976 1.00 70.40 H new ATOM 0 HB2 ASP A 38 -5.255 -10.522 8.283 1.00 11.23 H new ATOM 0 HB3 ASP A 38 -3.833 -11.187 7.504 1.00 11.23 H new ATOM 619 N LEU A 39 -2.474 -9.122 6.407 1.00 2.14 N ATOM 620 CA LEU A 39 -2.097 -8.464 5.135 1.00 23.11 C ATOM 621 C LEU A 39 -3.327 -8.315 4.219 1.00 4.00 C ATOM 622 O LEU A 39 -3.479 -7.296 3.544 1.00 33.53 O ATOM 623 CB LEU A 39 -0.945 -9.272 4.442 1.00 34.21 C ATOM 624 CG LEU A 39 -0.125 -8.580 3.280 1.00 32.33 C ATOM 625 CD1 LEU A 39 -0.864 -8.560 1.927 1.00 45.42 C ATOM 626 CD2 LEU A 39 0.342 -7.163 3.686 1.00 62.31 C ATOM 0 H LEU A 39 -2.019 -10.025 6.542 1.00 2.14 H new ATOM 0 HA LEU A 39 -1.726 -7.460 5.341 1.00 23.11 H new ATOM 0 HB2 LEU A 39 -0.237 -9.567 5.216 1.00 34.21 H new ATOM 0 HB3 LEU A 39 -1.379 -10.188 4.040 1.00 34.21 H new ATOM 0 HG LEU A 39 0.756 -9.203 3.128 1.00 32.33 H new ATOM 0 HD11 LEU A 39 -0.240 -8.070 1.179 1.00 45.42 H new ATOM 0 HD12 LEU A 39 -1.074 -9.582 1.612 1.00 45.42 H new ATOM 0 HD13 LEU A 39 -1.801 -8.013 2.032 1.00 45.42 H new ATOM 0 HD21 LEU A 39 0.902 -6.716 2.865 1.00 62.31 H new ATOM 0 HD22 LEU A 39 -0.527 -6.544 3.912 1.00 62.31 H new ATOM 0 HD23 LEU A 39 0.980 -7.229 4.567 1.00 62.31 H new ATOM 638 N GLU A 40 -4.207 -9.333 4.228 1.00 32.02 N ATOM 639 CA GLU A 40 -5.463 -9.326 3.451 1.00 14.54 C ATOM 640 C GLU A 40 -6.400 -8.182 3.907 1.00 41.53 C ATOM 641 O GLU A 40 -7.103 -7.582 3.091 1.00 40.12 O ATOM 642 CB GLU A 40 -6.172 -10.692 3.586 1.00 21.32 C ATOM 643 CG GLU A 40 -7.468 -10.825 2.769 1.00 42.01 C ATOM 644 CD GLU A 40 -8.218 -12.140 3.035 1.00 42.33 C ATOM 645 OE1 GLU A 40 -7.882 -13.163 2.408 1.00 54.51 O ATOM 646 OE2 GLU A 40 -9.149 -12.152 3.869 1.00 25.42 O ATOM 0 H GLU A 40 -4.069 -10.184 4.773 1.00 32.02 H new ATOM 0 HA GLU A 40 -5.216 -9.153 2.403 1.00 14.54 H new ATOM 0 HB2 GLU A 40 -5.481 -11.477 3.277 1.00 21.32 H new ATOM 0 HB3 GLU A 40 -6.402 -10.865 4.637 1.00 21.32 H new ATOM 0 HG2 GLU A 40 -8.124 -9.986 3.001 1.00 42.01 H new ATOM 0 HG3 GLU A 40 -7.229 -10.758 1.708 1.00 42.01 H new ATOM 653 N GLU A 41 -6.347 -7.855 5.214 1.00 23.22 N ATOM 654 CA GLU A 41 -7.163 -6.768 5.807 1.00 0.52 C ATOM 655 C GLU A 41 -6.635 -5.405 5.327 1.00 63.14 C ATOM 656 O GLU A 41 -7.408 -4.476 5.080 1.00 72.24 O ATOM 657 CB GLU A 41 -7.135 -6.848 7.359 1.00 45.43 C ATOM 658 CG GLU A 41 -7.425 -8.238 7.947 1.00 22.15 C ATOM 659 CD GLU A 41 -8.797 -8.814 7.553 1.00 1.21 C ATOM 660 OE1 GLU A 41 -9.805 -8.504 8.227 1.00 4.21 O ATOM 661 OE2 GLU A 41 -8.872 -9.589 6.574 1.00 33.45 O ATOM 0 H GLU A 41 -5.744 -8.330 5.886 1.00 23.22 H new ATOM 0 HA GLU A 41 -8.197 -6.883 5.482 1.00 0.52 H new ATOM 0 HB2 GLU A 41 -6.155 -6.521 7.706 1.00 45.43 H new ATOM 0 HB3 GLU A 41 -7.865 -6.143 7.757 1.00 45.43 H new ATOM 0 HG2 GLU A 41 -6.646 -8.928 7.621 1.00 22.15 H new ATOM 0 HG3 GLU A 41 -7.366 -8.180 9.034 1.00 22.15 H new ATOM 668 N ALA A 42 -5.301 -5.352 5.132 1.00 74.25 N ATOM 669 CA ALA A 42 -4.596 -4.164 4.616 1.00 55.24 C ATOM 670 C ALA A 42 -4.930 -3.949 3.134 1.00 34.01 C ATOM 671 O ALA A 42 -5.114 -2.813 2.695 1.00 53.13 O ATOM 672 CB ALA A 42 -3.078 -4.308 4.796 1.00 31.03 C ATOM 0 H ALA A 42 -4.681 -6.137 5.330 1.00 74.25 H new ATOM 0 HA ALA A 42 -4.930 -3.297 5.186 1.00 55.24 H new ATOM 0 HB1 ALA A 42 -2.580 -3.420 4.408 1.00 31.03 H new ATOM 0 HB2 ALA A 42 -2.846 -4.421 5.855 1.00 31.03 H new ATOM 0 HB3 ALA A 42 -2.729 -5.186 4.253 1.00 31.03 H new ATOM 678 N ILE A 43 -4.999 -5.080 2.391 1.00 50.22 N ATOM 679 CA ILE A 43 -5.316 -5.092 0.954 1.00 33.22 C ATOM 680 C ILE A 43 -6.679 -4.414 0.703 1.00 34.05 C ATOM 681 O ILE A 43 -6.730 -3.386 0.030 1.00 51.31 O ATOM 682 CB ILE A 43 -5.317 -6.576 0.381 1.00 51.12 C ATOM 683 CG1 ILE A 43 -3.858 -7.127 0.266 1.00 61.31 C ATOM 684 CG2 ILE A 43 -6.074 -6.702 -0.968 1.00 60.52 C ATOM 685 CD1 ILE A 43 -3.752 -8.571 -0.208 1.00 23.54 C ATOM 0 H ILE A 43 -4.835 -6.009 2.779 1.00 50.22 H new ATOM 0 HA ILE A 43 -4.543 -4.531 0.429 1.00 33.22 H new ATOM 0 HB ILE A 43 -5.865 -7.189 1.097 1.00 51.12 H new ATOM 0 HG12 ILE A 43 -3.299 -6.492 -0.422 1.00 61.31 H new ATOM 0 HG13 ILE A 43 -3.376 -7.044 1.240 1.00 61.31 H new ATOM 0 HG21 ILE A 43 -6.040 -7.737 -1.309 1.00 60.52 H new ATOM 0 HG22 ILE A 43 -7.112 -6.398 -0.833 1.00 60.52 H new ATOM 0 HG23 ILE A 43 -5.602 -6.060 -1.711 1.00 60.52 H new ATOM 0 HD11 ILE A 43 -2.703 -8.862 -0.256 1.00 23.54 H new ATOM 0 HD12 ILE A 43 -4.278 -9.223 0.490 1.00 23.54 H new ATOM 0 HD13 ILE A 43 -4.199 -8.663 -1.198 1.00 23.54 H new ATOM 697 N VAL A 44 -7.775 -5.030 1.210 1.00 43.14 N ATOM 698 CA VAL A 44 -9.152 -4.485 1.161 1.00 64.21 C ATOM 699 C VAL A 44 -9.212 -2.964 1.493 1.00 50.14 C ATOM 700 O VAL A 44 -9.787 -2.191 0.713 1.00 1.30 O ATOM 701 CB VAL A 44 -10.092 -5.298 2.140 1.00 64.45 C ATOM 702 CG1 VAL A 44 -11.565 -4.833 2.062 1.00 74.32 C ATOM 703 CG2 VAL A 44 -9.977 -6.826 1.887 1.00 50.24 C ATOM 0 H VAL A 44 -7.724 -5.937 1.673 1.00 43.14 H new ATOM 0 HA VAL A 44 -9.504 -4.597 0.135 1.00 64.21 H new ATOM 0 HB VAL A 44 -9.746 -5.092 3.153 1.00 64.45 H new ATOM 0 HG11 VAL A 44 -12.169 -5.421 2.752 1.00 74.32 H new ATOM 0 HG12 VAL A 44 -11.629 -3.779 2.332 1.00 74.32 H new ATOM 0 HG13 VAL A 44 -11.937 -4.971 1.047 1.00 74.32 H new ATOM 0 HG21 VAL A 44 -10.634 -7.359 2.574 1.00 50.24 H new ATOM 0 HG22 VAL A 44 -10.269 -7.048 0.860 1.00 50.24 H new ATOM 0 HG23 VAL A 44 -8.947 -7.145 2.049 1.00 50.24 H new ATOM 713 N VAL A 45 -8.635 -2.564 2.655 1.00 32.40 N ATOM 714 CA VAL A 45 -8.541 -1.125 3.044 1.00 25.13 C ATOM 715 C VAL A 45 -7.902 -0.270 1.907 1.00 33.54 C ATOM 716 O VAL A 45 -8.443 0.775 1.547 1.00 52.35 O ATOM 717 CB VAL A 45 -7.738 -0.919 4.391 1.00 72.33 C ATOM 718 CG1 VAL A 45 -7.500 0.586 4.710 1.00 64.45 C ATOM 719 CG2 VAL A 45 -8.457 -1.615 5.571 1.00 42.12 C ATOM 0 H VAL A 45 -8.230 -3.207 3.336 1.00 32.40 H new ATOM 0 HA VAL A 45 -9.563 -0.784 3.209 1.00 25.13 H new ATOM 0 HB VAL A 45 -6.760 -1.380 4.253 1.00 72.33 H new ATOM 0 HG11 VAL A 45 -6.945 0.677 5.644 1.00 64.45 H new ATOM 0 HG12 VAL A 45 -6.928 1.043 3.902 1.00 64.45 H new ATOM 0 HG13 VAL A 45 -8.460 1.093 4.808 1.00 64.45 H new ATOM 0 HG21 VAL A 45 -7.887 -1.460 6.487 1.00 42.12 H new ATOM 0 HG22 VAL A 45 -9.455 -1.193 5.689 1.00 42.12 H new ATOM 0 HG23 VAL A 45 -8.537 -2.683 5.370 1.00 42.12 H new ATOM 729 N LEU A 46 -6.791 -0.767 1.314 1.00 41.03 N ATOM 730 CA LEU A 46 -6.065 -0.064 0.215 1.00 2.34 C ATOM 731 C LEU A 46 -6.891 -0.028 -1.085 1.00 63.44 C ATOM 732 O LEU A 46 -6.718 0.878 -1.899 1.00 23.30 O ATOM 733 CB LEU A 46 -4.677 -0.716 -0.065 1.00 74.25 C ATOM 734 CG LEU A 46 -3.585 -0.533 1.031 1.00 1.12 C ATOM 735 CD1 LEU A 46 -2.300 -1.323 0.679 1.00 52.41 C ATOM 736 CD2 LEU A 46 -3.284 0.966 1.277 1.00 15.23 C ATOM 0 H LEU A 46 -6.371 -1.659 1.577 1.00 41.03 H new ATOM 0 HA LEU A 46 -5.909 0.960 0.555 1.00 2.34 H new ATOM 0 HB2 LEU A 46 -4.828 -1.784 -0.220 1.00 74.25 H new ATOM 0 HB3 LEU A 46 -4.292 -0.309 -1.000 1.00 74.25 H new ATOM 0 HG LEU A 46 -3.975 -0.944 1.962 1.00 1.12 H new ATOM 0 HD11 LEU A 46 -1.556 -1.176 1.462 1.00 52.41 H new ATOM 0 HD12 LEU A 46 -2.536 -2.384 0.598 1.00 52.41 H new ATOM 0 HD13 LEU A 46 -1.902 -0.966 -0.271 1.00 52.41 H new ATOM 0 HD21 LEU A 46 -2.518 1.062 2.047 1.00 15.23 H new ATOM 0 HD22 LEU A 46 -2.929 1.422 0.353 1.00 15.23 H new ATOM 0 HD23 LEU A 46 -4.193 1.471 1.605 1.00 15.23 H new ATOM 748 N ARG A 47 -7.785 -1.031 -1.272 1.00 11.15 N ATOM 749 CA ARG A 47 -8.694 -1.088 -2.446 1.00 10.14 C ATOM 750 C ARG A 47 -9.783 -0.002 -2.359 1.00 21.10 C ATOM 751 O ARG A 47 -10.389 0.369 -3.364 1.00 14.04 O ATOM 752 CB ARG A 47 -9.325 -2.507 -2.610 1.00 53.24 C ATOM 753 CG ARG A 47 -8.287 -3.633 -2.825 1.00 21.31 C ATOM 754 CD ARG A 47 -8.879 -4.956 -3.328 1.00 14.23 C ATOM 755 NE ARG A 47 -9.784 -5.595 -2.353 1.00 44.12 N ATOM 756 CZ ARG A 47 -9.856 -6.923 -2.127 1.00 35.12 C ATOM 757 NH1 ARG A 47 -9.069 -7.784 -2.778 1.00 33.41 N ATOM 758 NH2 ARG A 47 -10.762 -7.389 -1.283 1.00 43.43 N ATOM 0 H ARG A 47 -7.896 -1.812 -0.625 1.00 11.15 H new ATOM 0 HA ARG A 47 -8.095 -0.890 -3.335 1.00 10.14 H new ATOM 0 HB2 ARG A 47 -9.916 -2.736 -1.723 1.00 53.24 H new ATOM 0 HB3 ARG A 47 -10.012 -2.493 -3.456 1.00 53.24 H new ATOM 0 HG2 ARG A 47 -7.539 -3.289 -3.540 1.00 21.31 H new ATOM 0 HG3 ARG A 47 -7.768 -3.816 -1.884 1.00 21.31 H new ATOM 0 HD2 ARG A 47 -9.423 -4.774 -4.255 1.00 14.23 H new ATOM 0 HD3 ARG A 47 -8.067 -5.643 -3.565 1.00 14.23 H new ATOM 0 HE ARG A 47 -10.400 -4.989 -1.811 1.00 44.12 H new ATOM 0 HH11 ARG A 47 -8.395 -7.442 -3.463 1.00 33.41 H new ATOM 0 HH12 ARG A 47 -9.142 -8.784 -2.590 1.00 33.41 H new ATOM 0 HH21 ARG A 47 -11.397 -6.746 -0.811 1.00 43.43 H new ATOM 0 HH22 ARG A 47 -10.825 -8.391 -1.105 1.00 43.43 H new ATOM 772 N GLU A 48 -10.014 0.495 -1.139 1.00 0.42 N ATOM 773 CA GLU A 48 -10.912 1.632 -0.883 1.00 61.32 C ATOM 774 C GLU A 48 -10.122 2.955 -0.997 1.00 15.13 C ATOM 775 O GLU A 48 -10.547 3.882 -1.686 1.00 31.11 O ATOM 776 CB GLU A 48 -11.562 1.469 0.515 1.00 51.04 C ATOM 777 CG GLU A 48 -12.270 0.110 0.715 1.00 12.44 C ATOM 778 CD GLU A 48 -12.912 -0.052 2.103 1.00 32.33 C ATOM 779 OE1 GLU A 48 -14.103 -0.426 2.197 1.00 4.41 O ATOM 780 OE2 GLU A 48 -12.227 0.202 3.125 1.00 34.22 O ATOM 0 H GLU A 48 -9.582 0.119 -0.295 1.00 0.42 H new ATOM 0 HA GLU A 48 -11.710 1.657 -1.626 1.00 61.32 H new ATOM 0 HB2 GLU A 48 -10.793 1.584 1.279 1.00 51.04 H new ATOM 0 HB3 GLU A 48 -12.285 2.271 0.666 1.00 51.04 H new ATOM 0 HG2 GLU A 48 -13.040 -0.005 -0.048 1.00 12.44 H new ATOM 0 HG3 GLU A 48 -11.548 -0.692 0.562 1.00 12.44 H new ATOM 787 N GLU A 49 -8.946 2.977 -0.331 1.00 54.21 N ATOM 788 CA GLU A 49 -8.064 4.177 -0.275 1.00 73.42 C ATOM 789 C GLU A 49 -7.683 4.666 -1.684 1.00 15.32 C ATOM 790 O GLU A 49 -7.624 5.876 -1.936 1.00 62.32 O ATOM 791 CB GLU A 49 -6.775 3.894 0.547 1.00 52.04 C ATOM 792 CG GLU A 49 -7.011 3.603 2.039 1.00 74.01 C ATOM 793 CD GLU A 49 -7.755 4.740 2.762 1.00 32.55 C ATOM 794 OE1 GLU A 49 -8.977 4.612 3.020 1.00 53.03 O ATOM 795 OE2 GLU A 49 -7.130 5.781 3.062 1.00 10.33 O ATOM 0 H GLU A 49 -8.579 2.174 0.180 1.00 54.21 H new ATOM 0 HA GLU A 49 -8.633 4.962 0.223 1.00 73.42 H new ATOM 0 HB2 GLU A 49 -6.257 3.044 0.103 1.00 52.04 H new ATOM 0 HB3 GLU A 49 -6.110 4.753 0.460 1.00 52.04 H new ATOM 0 HG2 GLU A 49 -7.584 2.681 2.138 1.00 74.01 H new ATOM 0 HG3 GLU A 49 -6.051 3.436 2.527 1.00 74.01 H new ATOM 802 N GLU A 50 -7.402 3.691 -2.562 1.00 13.01 N ATOM 803 CA GLU A 50 -7.102 3.907 -3.990 1.00 2.14 C ATOM 804 C GLU A 50 -8.217 4.730 -4.660 1.00 25.42 C ATOM 805 O GLU A 50 -7.964 5.787 -5.240 1.00 2.44 O ATOM 806 CB GLU A 50 -6.962 2.532 -4.709 1.00 74.51 C ATOM 807 CG GLU A 50 -6.499 2.608 -6.182 1.00 23.02 C ATOM 808 CD GLU A 50 -6.839 1.345 -6.984 1.00 45.12 C ATOM 809 OE1 GLU A 50 -7.735 1.396 -7.857 1.00 71.51 O ATOM 810 OE2 GLU A 50 -6.251 0.287 -6.720 1.00 71.23 O ATOM 0 H GLU A 50 -7.376 2.707 -2.295 1.00 13.01 H new ATOM 0 HA GLU A 50 -6.166 4.459 -4.070 1.00 2.14 H new ATOM 0 HB2 GLU A 50 -6.253 1.919 -4.153 1.00 74.51 H new ATOM 0 HB3 GLU A 50 -7.924 2.020 -4.672 1.00 74.51 H new ATOM 0 HG2 GLU A 50 -6.964 3.471 -6.659 1.00 23.02 H new ATOM 0 HG3 GLU A 50 -5.422 2.770 -6.210 1.00 23.02 H new ATOM 817 N LYS A 51 -9.467 4.234 -4.522 1.00 30.33 N ATOM 818 CA LYS A 51 -10.652 4.810 -5.187 1.00 12.42 C ATOM 819 C LYS A 51 -11.050 6.171 -4.572 1.00 30.32 C ATOM 820 O LYS A 51 -11.731 6.969 -5.225 1.00 13.34 O ATOM 821 CB LYS A 51 -11.840 3.807 -5.107 1.00 73.51 C ATOM 822 CG LYS A 51 -11.551 2.417 -5.725 1.00 60.50 C ATOM 823 CD LYS A 51 -12.767 1.453 -5.649 1.00 71.53 C ATOM 824 CE LYS A 51 -13.961 1.935 -6.491 1.00 75.13 C ATOM 825 NZ LYS A 51 -15.137 1.026 -6.394 1.00 74.12 N ATOM 0 H LYS A 51 -9.680 3.421 -3.944 1.00 30.33 H new ATOM 0 HA LYS A 51 -10.399 4.989 -6.232 1.00 12.42 H new ATOM 0 HB2 LYS A 51 -12.117 3.675 -4.061 1.00 73.51 H new ATOM 0 HB3 LYS A 51 -12.702 4.243 -5.613 1.00 73.51 H new ATOM 0 HG2 LYS A 51 -11.259 2.543 -6.768 1.00 60.50 H new ATOM 0 HG3 LYS A 51 -10.704 1.965 -5.209 1.00 60.50 H new ATOM 0 HD2 LYS A 51 -12.463 0.464 -5.991 1.00 71.53 H new ATOM 0 HD3 LYS A 51 -13.079 1.350 -4.610 1.00 71.53 H new ATOM 0 HE2 LYS A 51 -14.251 2.934 -6.164 1.00 75.13 H new ATOM 0 HE3 LYS A 51 -13.655 2.017 -7.534 1.00 75.13 H new ATOM 0 HZ1 LYS A 51 -15.912 1.397 -6.980 1.00 74.12 H new ATOM 0 HZ2 LYS A 51 -14.872 0.078 -6.731 1.00 74.12 H new ATOM 0 HZ3 LYS A 51 -15.449 0.967 -5.404 1.00 74.12 H new ATOM 839 N LYS A 52 -10.651 6.409 -3.309 1.00 55.41 N ATOM 840 CA LYS A 52 -10.863 7.707 -2.622 1.00 22.13 C ATOM 841 C LYS A 52 -9.823 8.743 -3.087 1.00 22.01 C ATOM 842 O LYS A 52 -10.093 9.952 -3.118 1.00 11.24 O ATOM 843 CB LYS A 52 -10.755 7.509 -1.085 1.00 22.40 C ATOM 844 CG LYS A 52 -11.777 6.517 -0.489 1.00 54.44 C ATOM 845 CD LYS A 52 -11.462 6.160 0.982 1.00 43.44 C ATOM 846 CE LYS A 52 -12.369 5.049 1.526 1.00 41.52 C ATOM 847 NZ LYS A 52 -11.958 4.628 2.894 1.00 11.34 N ATOM 0 H LYS A 52 -10.174 5.714 -2.734 1.00 55.41 H new ATOM 0 HA LYS A 52 -11.857 8.076 -2.873 1.00 22.13 H new ATOM 0 HB2 LYS A 52 -9.750 7.161 -0.847 1.00 22.40 H new ATOM 0 HB3 LYS A 52 -10.881 8.476 -0.598 1.00 22.40 H new ATOM 0 HG2 LYS A 52 -12.776 6.949 -0.549 1.00 54.44 H new ATOM 0 HG3 LYS A 52 -11.787 5.606 -1.087 1.00 54.44 H new ATOM 0 HD2 LYS A 52 -10.421 5.846 1.061 1.00 43.44 H new ATOM 0 HD3 LYS A 52 -11.574 7.051 1.600 1.00 43.44 H new ATOM 0 HE2 LYS A 52 -13.401 5.398 1.547 1.00 41.52 H new ATOM 0 HE3 LYS A 52 -12.337 4.191 0.855 1.00 41.52 H new ATOM 0 HZ1 LYS A 52 -12.316 3.670 3.085 1.00 11.34 H new ATOM 0 HZ2 LYS A 52 -10.920 4.629 2.960 1.00 11.34 H new ATOM 0 HZ3 LYS A 52 -12.351 5.290 3.594 1.00 11.34 H new ATOM 861 N ALA A 53 -8.639 8.247 -3.461 1.00 34.34 N ATOM 862 CA ALA A 53 -7.503 9.080 -3.879 1.00 4.22 C ATOM 863 C ALA A 53 -7.582 9.435 -5.368 1.00 20.42 C ATOM 864 O ALA A 53 -8.081 8.645 -6.180 1.00 25.41 O ATOM 865 CB ALA A 53 -6.186 8.342 -3.586 1.00 10.34 C ATOM 0 H ALA A 53 -8.439 7.247 -3.483 1.00 34.34 H new ATOM 0 HA ALA A 53 -7.539 10.010 -3.312 1.00 4.22 H new ATOM 0 HB1 ALA A 53 -5.345 8.962 -3.897 1.00 10.34 H new ATOM 0 HB2 ALA A 53 -6.112 8.140 -2.518 1.00 10.34 H new ATOM 0 HB3 ALA A 53 -6.166 7.401 -4.136 1.00 10.34 H new ATOM 871 N SER A 54 -7.105 10.634 -5.713 1.00 4.20 N ATOM 872 CA SER A 54 -6.837 11.032 -7.099 1.00 22.55 C ATOM 873 C SER A 54 -5.348 10.817 -7.397 1.00 32.41 C ATOM 874 O SER A 54 -4.514 10.895 -6.477 1.00 32.13 O ATOM 875 CB SER A 54 -7.227 12.513 -7.323 1.00 42.33 C ATOM 876 OG SER A 54 -8.608 12.724 -7.062 1.00 0.01 O ATOM 0 H SER A 54 -6.892 11.363 -5.032 1.00 4.20 H new ATOM 0 HA SER A 54 -7.436 10.423 -7.776 1.00 22.55 H new ATOM 0 HB2 SER A 54 -6.629 13.152 -6.673 1.00 42.33 H new ATOM 0 HB3 SER A 54 -7.000 12.801 -8.349 1.00 42.33 H new ATOM 0 HG SER A 54 -8.828 13.668 -7.209 1.00 0.01 H new ATOM 882 N GLU A 55 -5.022 10.509 -8.663 1.00 50.43 N ATOM 883 CA GLU A 55 -3.627 10.350 -9.125 1.00 2.40 C ATOM 884 C GLU A 55 -2.861 11.695 -8.989 1.00 41.34 C ATOM 885 O GLU A 55 -3.474 12.752 -9.155 1.00 61.11 O ATOM 886 CB GLU A 55 -3.607 9.803 -10.584 1.00 21.13 C ATOM 887 CG GLU A 55 -4.162 8.374 -10.694 1.00 5.01 C ATOM 888 CD GLU A 55 -4.172 7.796 -12.112 1.00 73.22 C ATOM 889 OE1 GLU A 55 -3.091 7.460 -12.632 1.00 24.55 O ATOM 890 OE2 GLU A 55 -5.261 7.634 -12.702 1.00 50.04 O ATOM 0 H GLU A 55 -5.715 10.363 -9.397 1.00 50.43 H new ATOM 0 HA GLU A 55 -3.114 9.621 -8.497 1.00 2.40 H new ATOM 0 HB2 GLU A 55 -4.192 10.465 -11.223 1.00 21.13 H new ATOM 0 HB3 GLU A 55 -2.584 9.820 -10.959 1.00 21.13 H new ATOM 0 HG2 GLU A 55 -3.570 7.719 -10.054 1.00 5.01 H new ATOM 0 HG3 GLU A 55 -5.180 8.364 -10.306 1.00 5.01 H new ATOM 897 N PRO A 56 -1.516 11.691 -8.695 1.00 74.33 N ATOM 898 CA PRO A 56 -0.667 10.471 -8.605 1.00 53.14 C ATOM 899 C PRO A 56 -0.717 9.689 -7.260 1.00 32.33 C ATOM 900 O PRO A 56 -0.055 8.649 -7.153 1.00 51.54 O ATOM 901 CB PRO A 56 0.738 11.042 -8.874 1.00 34.24 C ATOM 902 CG PRO A 56 0.705 12.402 -8.253 1.00 34.21 C ATOM 903 CD PRO A 56 -0.703 12.923 -8.469 1.00 22.42 C ATOM 0 HA PRO A 56 -1.011 9.708 -9.303 1.00 53.14 H new ATOM 0 HB2 PRO A 56 1.513 10.419 -8.428 1.00 34.24 H new ATOM 0 HB3 PRO A 56 0.948 11.097 -9.942 1.00 34.24 H new ATOM 0 HG2 PRO A 56 0.945 12.352 -7.191 1.00 34.21 H new ATOM 0 HG3 PRO A 56 1.440 13.060 -8.715 1.00 34.21 H new ATOM 0 HD2 PRO A 56 -1.058 13.482 -7.603 1.00 22.42 H new ATOM 0 HD3 PRO A 56 -0.752 13.596 -9.325 1.00 22.42 H new ATOM 911 N PHE A 57 -1.485 10.161 -6.241 1.00 25.13 N ATOM 912 CA PHE A 57 -1.640 9.377 -4.979 1.00 34.21 C ATOM 913 C PHE A 57 -2.378 8.033 -5.247 1.00 22.04 C ATOM 914 O PHE A 57 -2.073 7.001 -4.645 1.00 53.03 O ATOM 915 CB PHE A 57 -2.322 10.194 -3.838 1.00 72.33 C ATOM 916 CG PHE A 57 -2.208 9.527 -2.454 1.00 72.23 C ATOM 917 CD1 PHE A 57 -0.967 9.088 -1.975 1.00 73.22 C ATOM 918 CD2 PHE A 57 -3.326 9.325 -1.643 1.00 62.32 C ATOM 919 CE1 PHE A 57 -0.854 8.469 -0.743 1.00 11.32 C ATOM 920 CE2 PHE A 57 -3.208 8.708 -0.405 1.00 74.01 C ATOM 921 CZ PHE A 57 -1.972 8.279 0.041 1.00 32.53 C ATOM 0 H PHE A 57 -1.990 11.047 -6.261 1.00 25.13 H new ATOM 0 HA PHE A 57 -0.636 9.147 -4.624 1.00 34.21 H new ATOM 0 HB2 PHE A 57 -1.872 11.186 -3.793 1.00 72.33 H new ATOM 0 HB3 PHE A 57 -3.376 10.332 -4.080 1.00 72.33 H new ATOM 0 HD1 PHE A 57 -0.083 9.235 -2.578 1.00 73.22 H new ATOM 0 HD2 PHE A 57 -4.297 9.653 -1.984 1.00 62.32 H new ATOM 0 HE1 PHE A 57 0.112 8.134 -0.395 1.00 11.32 H new ATOM 0 HE2 PHE A 57 -4.083 8.563 0.211 1.00 74.01 H new ATOM 0 HZ PHE A 57 -1.882 7.796 1.003 1.00 32.53 H new ATOM 931 N LYS A 58 -3.309 8.051 -6.216 1.00 63.10 N ATOM 932 CA LYS A 58 -3.980 6.809 -6.674 1.00 14.01 C ATOM 933 C LYS A 58 -3.022 5.945 -7.534 1.00 40.54 C ATOM 934 O LYS A 58 -3.178 4.719 -7.591 1.00 51.12 O ATOM 935 CB LYS A 58 -5.297 7.132 -7.426 1.00 51.12 C ATOM 936 CG LYS A 58 -6.051 5.907 -8.000 1.00 51.02 C ATOM 937 CD LYS A 58 -7.458 6.251 -8.559 1.00 34.32 C ATOM 938 CE LYS A 58 -7.426 7.311 -9.671 1.00 72.35 C ATOM 939 NZ LYS A 58 -8.779 7.611 -10.203 1.00 11.33 N ATOM 0 H LYS A 58 -3.615 8.897 -6.696 1.00 63.10 H new ATOM 0 HA LYS A 58 -4.245 6.222 -5.795 1.00 14.01 H new ATOM 0 HB2 LYS A 58 -5.964 7.662 -6.745 1.00 51.12 H new ATOM 0 HB3 LYS A 58 -5.070 7.814 -8.245 1.00 51.12 H new ATOM 0 HG2 LYS A 58 -5.452 5.462 -8.794 1.00 51.02 H new ATOM 0 HG3 LYS A 58 -6.154 5.155 -7.218 1.00 51.02 H new ATOM 0 HD2 LYS A 58 -7.920 5.343 -8.945 1.00 34.32 H new ATOM 0 HD3 LYS A 58 -8.088 6.608 -7.744 1.00 34.32 H new ATOM 0 HE2 LYS A 58 -6.979 8.227 -9.284 1.00 72.35 H new ATOM 0 HE3 LYS A 58 -6.788 6.963 -10.483 1.00 72.35 H new ATOM 0 HZ1 LYS A 58 -8.707 8.331 -10.950 1.00 11.33 H new ATOM 0 HZ2 LYS A 58 -9.197 6.744 -10.597 1.00 11.33 H new ATOM 0 HZ3 LYS A 58 -9.383 7.969 -9.435 1.00 11.33 H new ATOM 953 N THR A 59 -1.979 6.591 -8.111 1.00 62.04 N ATOM 954 CA THR A 59 -0.972 5.888 -8.936 1.00 53.02 C ATOM 955 C THR A 59 -0.074 5.017 -8.057 1.00 22.43 C ATOM 956 O THR A 59 0.251 3.888 -8.429 1.00 35.50 O ATOM 957 CB THR A 59 -0.099 6.879 -9.783 1.00 40.04 C ATOM 958 OG1 THR A 59 -0.953 7.753 -10.534 1.00 5.22 O ATOM 959 CG2 THR A 59 0.861 6.162 -10.756 1.00 31.25 C ATOM 0 H THR A 59 -1.816 7.594 -8.019 1.00 62.04 H new ATOM 0 HA THR A 59 -1.518 5.255 -9.635 1.00 53.02 H new ATOM 0 HB THR A 59 0.512 7.440 -9.075 1.00 40.04 H new ATOM 0 HG1 THR A 59 -1.542 7.221 -11.109 1.00 5.22 H new ATOM 0 HG21 THR A 59 1.436 6.903 -11.312 1.00 31.25 H new ATOM 0 HG22 THR A 59 1.541 5.524 -10.192 1.00 31.25 H new ATOM 0 HG23 THR A 59 0.285 5.553 -11.452 1.00 31.25 H new ATOM 967 N ASP A 60 0.271 5.514 -6.853 1.00 64.31 N ATOM 968 CA ASP A 60 1.163 4.775 -5.951 1.00 31.34 C ATOM 969 C ASP A 60 0.427 3.643 -5.236 1.00 74.11 C ATOM 970 O ASP A 60 0.988 2.539 -5.086 1.00 45.50 O ATOM 971 CB ASP A 60 1.904 5.692 -4.937 1.00 33.00 C ATOM 972 CG ASP A 60 1.034 6.610 -4.067 1.00 35.23 C ATOM 973 OD1 ASP A 60 1.087 7.841 -4.261 1.00 1.14 O ATOM 974 OD2 ASP A 60 0.324 6.114 -3.169 1.00 0.40 O ATOM 0 H ASP A 60 -0.051 6.411 -6.490 1.00 64.31 H new ATOM 0 HA ASP A 60 1.932 4.333 -6.585 1.00 31.34 H new ATOM 0 HB2 ASP A 60 2.495 5.058 -4.276 1.00 33.00 H new ATOM 0 HB3 ASP A 60 2.605 6.315 -5.492 1.00 33.00 H new ATOM 979 N ILE A 61 -0.828 3.913 -4.811 1.00 61.44 N ATOM 980 CA ILE A 61 -1.619 2.939 -4.040 1.00 40.41 C ATOM 981 C ILE A 61 -1.862 1.679 -4.885 1.00 40.34 C ATOM 982 O ILE A 61 -1.537 0.580 -4.435 1.00 55.25 O ATOM 983 CB ILE A 61 -2.993 3.515 -3.493 1.00 24.21 C ATOM 984 CG1 ILE A 61 -2.750 4.752 -2.568 1.00 52.40 C ATOM 985 CG2 ILE A 61 -3.794 2.423 -2.723 1.00 41.34 C ATOM 986 CD1 ILE A 61 -4.013 5.467 -2.109 1.00 21.55 C ATOM 0 H ILE A 61 -1.309 4.794 -4.990 1.00 61.44 H new ATOM 0 HA ILE A 61 -1.029 2.692 -3.157 1.00 40.41 H new ATOM 0 HB ILE A 61 -3.582 3.832 -4.354 1.00 24.21 H new ATOM 0 HG12 ILE A 61 -2.194 4.426 -1.689 1.00 52.40 H new ATOM 0 HG13 ILE A 61 -2.118 5.465 -3.098 1.00 52.40 H new ATOM 0 HG21 ILE A 61 -4.730 2.847 -2.360 1.00 41.34 H new ATOM 0 HG22 ILE A 61 -4.008 1.589 -3.392 1.00 41.34 H new ATOM 0 HG23 ILE A 61 -3.205 2.068 -1.878 1.00 41.34 H new ATOM 0 HD11 ILE A 61 -3.743 6.310 -1.473 1.00 21.55 H new ATOM 0 HD12 ILE A 61 -4.562 5.829 -2.978 1.00 21.55 H new ATOM 0 HD13 ILE A 61 -4.639 4.774 -1.547 1.00 21.55 H new ATOM 998 N ARG A 62 -2.422 1.846 -6.112 1.00 73.25 N ATOM 999 CA ARG A 62 -2.726 0.711 -7.016 1.00 55.01 C ATOM 1000 C ARG A 62 -1.487 -0.184 -7.313 1.00 4.03 C ATOM 1001 O ARG A 62 -1.600 -1.397 -7.268 1.00 62.33 O ATOM 1002 CB ARG A 62 -3.356 1.196 -8.356 1.00 11.24 C ATOM 1003 CG ARG A 62 -2.469 2.143 -9.191 1.00 75.05 C ATOM 1004 CD ARG A 62 -2.915 2.265 -10.661 1.00 50.03 C ATOM 1005 NE ARG A 62 -4.181 3.030 -10.808 1.00 21.41 N ATOM 1006 CZ ARG A 62 -4.343 4.102 -11.606 1.00 53.14 C ATOM 1007 NH1 ARG A 62 -3.337 4.560 -12.348 1.00 55.24 N ATOM 1008 NH2 ARG A 62 -5.520 4.723 -11.659 1.00 64.42 N ATOM 0 H ARG A 62 -2.671 2.758 -6.496 1.00 73.25 H new ATOM 0 HA ARG A 62 -3.452 0.100 -6.479 1.00 55.01 H new ATOM 0 HB2 ARG A 62 -3.600 0.323 -8.962 1.00 11.24 H new ATOM 0 HB3 ARG A 62 -4.295 1.703 -8.135 1.00 11.24 H new ATOM 0 HG2 ARG A 62 -2.477 3.132 -8.734 1.00 75.05 H new ATOM 0 HG3 ARG A 62 -1.440 1.785 -9.160 1.00 75.05 H new ATOM 0 HD2 ARG A 62 -2.129 2.754 -11.237 1.00 50.03 H new ATOM 0 HD3 ARG A 62 -3.045 1.268 -11.082 1.00 50.03 H new ATOM 0 HE ARG A 62 -4.986 2.720 -10.264 1.00 21.41 H new ATOM 0 HH11 ARG A 62 -2.428 4.098 -12.317 1.00 55.24 H new ATOM 0 HH12 ARG A 62 -3.475 5.373 -12.948 1.00 55.24 H new ATOM 0 HH21 ARG A 62 -6.300 4.386 -11.094 1.00 64.42 H new ATOM 0 HH22 ARG A 62 -5.641 5.535 -12.264 1.00 64.42 H new ATOM 1022 N ILE A 63 -0.313 0.430 -7.616 1.00 55.53 N ATOM 1023 CA ILE A 63 0.926 -0.319 -7.982 1.00 70.23 C ATOM 1024 C ILE A 63 1.449 -1.167 -6.795 1.00 75.34 C ATOM 1025 O ILE A 63 1.881 -2.316 -6.988 1.00 21.21 O ATOM 1026 CB ILE A 63 2.045 0.653 -8.530 1.00 1.14 C ATOM 1027 CG1 ILE A 63 1.533 1.413 -9.797 1.00 1.34 C ATOM 1028 CG2 ILE A 63 3.371 -0.093 -8.847 1.00 2.02 C ATOM 1029 CD1 ILE A 63 2.483 2.471 -10.342 1.00 52.44 C ATOM 0 H ILE A 63 -0.195 1.443 -7.615 1.00 55.53 H new ATOM 0 HA ILE A 63 0.665 -1.008 -8.785 1.00 70.23 H new ATOM 0 HB ILE A 63 2.261 1.373 -7.741 1.00 1.14 H new ATOM 0 HG12 ILE A 63 1.335 0.685 -10.583 1.00 1.34 H new ATOM 0 HG13 ILE A 63 0.582 1.889 -9.557 1.00 1.34 H new ATOM 0 HG21 ILE A 63 4.108 0.618 -9.220 1.00 2.02 H new ATOM 0 HG22 ILE A 63 3.749 -0.565 -7.940 1.00 2.02 H new ATOM 0 HG23 ILE A 63 3.187 -0.856 -9.603 1.00 2.02 H new ATOM 0 HD11 ILE A 63 2.039 2.941 -11.219 1.00 52.44 H new ATOM 0 HD12 ILE A 63 2.663 3.227 -9.577 1.00 52.44 H new ATOM 0 HD13 ILE A 63 3.428 2.003 -10.620 1.00 52.44 H new ATOM 1041 N LEU A 64 1.372 -0.604 -5.572 1.00 53.30 N ATOM 1042 CA LEU A 64 1.705 -1.329 -4.325 1.00 50.33 C ATOM 1043 C LEU A 64 0.737 -2.510 -4.128 1.00 52.32 C ATOM 1044 O LEU A 64 1.143 -3.669 -3.961 1.00 11.15 O ATOM 1045 CB LEU A 64 1.568 -0.378 -3.099 1.00 30.23 C ATOM 1046 CG LEU A 64 1.914 -1.003 -1.706 1.00 4.03 C ATOM 1047 CD1 LEU A 64 3.429 -1.216 -1.558 1.00 64.41 C ATOM 1048 CD2 LEU A 64 1.338 -0.173 -0.539 1.00 31.14 C ATOM 0 H LEU A 64 1.079 0.361 -5.419 1.00 53.30 H new ATOM 0 HA LEU A 64 2.730 -1.692 -4.404 1.00 50.33 H new ATOM 0 HB2 LEU A 64 2.215 0.485 -3.259 1.00 30.23 H new ATOM 0 HB3 LEU A 64 0.544 -0.007 -3.065 1.00 30.23 H new ATOM 0 HG LEU A 64 1.435 -1.981 -1.660 1.00 4.03 H new ATOM 0 HD11 LEU A 64 3.642 -1.651 -0.581 1.00 64.41 H new ATOM 0 HD12 LEU A 64 3.780 -1.890 -2.340 1.00 64.41 H new ATOM 0 HD13 LEU A 64 3.942 -0.258 -1.648 1.00 64.41 H new ATOM 0 HD21 LEU A 64 1.603 -0.644 0.408 1.00 31.14 H new ATOM 0 HD22 LEU A 64 1.751 0.835 -0.571 1.00 31.14 H new ATOM 0 HD23 LEU A 64 0.253 -0.123 -0.629 1.00 31.14 H new ATOM 1060 N LEU A 65 -0.543 -2.143 -4.164 1.00 21.23 N ATOM 1061 CA LEU A 65 -1.685 -3.011 -3.884 1.00 30.43 C ATOM 1062 C LEU A 65 -1.705 -4.246 -4.813 1.00 61.22 C ATOM 1063 O LEU A 65 -1.644 -5.382 -4.337 1.00 44.41 O ATOM 1064 CB LEU A 65 -2.963 -2.157 -4.054 1.00 11.30 C ATOM 1065 CG LEU A 65 -4.327 -2.879 -3.954 1.00 51.11 C ATOM 1066 CD1 LEU A 65 -4.544 -3.519 -2.564 1.00 14.52 C ATOM 1067 CD2 LEU A 65 -5.466 -1.910 -4.347 1.00 1.24 C ATOM 0 H LEU A 65 -0.824 -1.191 -4.399 1.00 21.23 H new ATOM 0 HA LEU A 65 -1.620 -3.401 -2.868 1.00 30.43 H new ATOM 0 HB2 LEU A 65 -2.944 -1.370 -3.300 1.00 11.30 H new ATOM 0 HB3 LEU A 65 -2.913 -1.668 -5.027 1.00 11.30 H new ATOM 0 HG LEU A 65 -4.333 -3.708 -4.662 1.00 51.11 H new ATOM 0 HD11 LEU A 65 -5.514 -4.015 -2.539 1.00 14.52 H new ATOM 0 HD12 LEU A 65 -3.758 -4.250 -2.373 1.00 14.52 H new ATOM 0 HD13 LEU A 65 -4.513 -2.744 -1.798 1.00 14.52 H new ATOM 0 HD21 LEU A 65 -6.424 -2.426 -4.274 1.00 1.24 H new ATOM 0 HD22 LEU A 65 -5.463 -1.053 -3.674 1.00 1.24 H new ATOM 0 HD23 LEU A 65 -5.315 -1.567 -5.371 1.00 1.24 H new ATOM 1079 N ASP A 66 -1.873 -3.997 -6.126 1.00 11.42 N ATOM 1080 CA ASP A 66 -1.728 -4.993 -7.209 1.00 2.54 C ATOM 1081 C ASP A 66 -0.564 -5.993 -6.967 1.00 53.42 C ATOM 1082 O ASP A 66 -0.788 -7.206 -7.038 1.00 31.30 O ATOM 1083 CB ASP A 66 -1.516 -4.200 -8.548 1.00 53.21 C ATOM 1084 CG ASP A 66 -0.866 -4.990 -9.703 1.00 63.45 C ATOM 1085 OD1 ASP A 66 0.368 -4.875 -9.903 1.00 21.24 O ATOM 1086 OD2 ASP A 66 -1.574 -5.696 -10.430 1.00 33.30 O ATOM 0 H ASP A 66 -2.121 -3.071 -6.474 1.00 11.42 H new ATOM 0 HA ASP A 66 -2.629 -5.606 -7.250 1.00 2.54 H new ATOM 0 HB2 ASP A 66 -2.484 -3.830 -8.886 1.00 53.21 H new ATOM 0 HB3 ASP A 66 -0.898 -3.328 -8.337 1.00 53.21 H new ATOM 1091 N PHE A 67 0.666 -5.472 -6.766 1.00 41.35 N ATOM 1092 CA PHE A 67 1.854 -6.303 -6.402 1.00 65.32 C ATOM 1093 C PHE A 67 1.545 -7.291 -5.224 1.00 5.25 C ATOM 1094 O PHE A 67 1.850 -8.494 -5.321 1.00 54.44 O ATOM 1095 CB PHE A 67 3.060 -5.385 -6.040 1.00 4.22 C ATOM 1096 CG PHE A 67 4.360 -6.133 -5.701 1.00 41.43 C ATOM 1097 CD1 PHE A 67 5.273 -6.478 -6.699 1.00 72.43 C ATOM 1098 CD2 PHE A 67 4.668 -6.494 -4.381 1.00 13.24 C ATOM 1099 CE1 PHE A 67 6.437 -7.166 -6.394 1.00 53.35 C ATOM 1100 CE2 PHE A 67 5.832 -7.181 -4.080 1.00 2.25 C ATOM 1101 CZ PHE A 67 6.716 -7.511 -5.084 1.00 42.22 C ATOM 0 H PHE A 67 0.871 -4.476 -6.848 1.00 41.35 H new ATOM 0 HA PHE A 67 2.110 -6.908 -7.272 1.00 65.32 H new ATOM 0 HB2 PHE A 67 3.251 -4.713 -6.877 1.00 4.22 H new ATOM 0 HB3 PHE A 67 2.783 -4.763 -5.189 1.00 4.22 H new ATOM 0 HD1 PHE A 67 5.069 -6.205 -7.724 1.00 72.43 H new ATOM 0 HD2 PHE A 67 3.986 -6.232 -3.586 1.00 13.24 H new ATOM 0 HE1 PHE A 67 7.127 -7.433 -7.181 1.00 53.35 H new ATOM 0 HE2 PHE A 67 6.047 -7.458 -3.059 1.00 2.25 H new ATOM 0 HZ PHE A 67 7.628 -8.040 -4.848 1.00 42.22 H new ATOM 1111 N LEU A 68 0.938 -6.763 -4.128 1.00 34.45 N ATOM 1112 CA LEU A 68 0.571 -7.557 -2.913 1.00 33.32 C ATOM 1113 C LEU A 68 -0.361 -8.728 -3.274 1.00 63.01 C ATOM 1114 O LEU A 68 -0.128 -9.879 -2.877 1.00 72.00 O ATOM 1115 CB LEU A 68 -0.157 -6.660 -1.869 1.00 22.41 C ATOM 1116 CG LEU A 68 0.665 -5.490 -1.260 1.00 62.45 C ATOM 1117 CD1 LEU A 68 -0.265 -4.449 -0.589 1.00 12.34 C ATOM 1118 CD2 LEU A 68 1.738 -6.025 -0.280 1.00 50.03 C ATOM 0 H LEU A 68 0.687 -5.777 -4.057 1.00 34.45 H new ATOM 0 HA LEU A 68 1.499 -7.945 -2.492 1.00 33.32 H new ATOM 0 HB2 LEU A 68 -1.046 -6.242 -2.341 1.00 22.41 H new ATOM 0 HB3 LEU A 68 -0.499 -7.297 -1.053 1.00 22.41 H new ATOM 0 HG LEU A 68 1.188 -4.979 -2.068 1.00 62.45 H new ATOM 0 HD11 LEU A 68 0.335 -3.641 -0.171 1.00 12.34 H new ATOM 0 HD12 LEU A 68 -0.953 -4.044 -1.331 1.00 12.34 H new ATOM 0 HD13 LEU A 68 -0.833 -4.929 0.208 1.00 12.34 H new ATOM 0 HD21 LEU A 68 2.301 -5.189 0.134 1.00 50.03 H new ATOM 0 HD22 LEU A 68 1.252 -6.571 0.528 1.00 50.03 H new ATOM 0 HD23 LEU A 68 2.417 -6.692 -0.812 1.00 50.03 H new ATOM 1130 N GLU A 69 -1.398 -8.401 -4.063 1.00 24.42 N ATOM 1131 CA GLU A 69 -2.463 -9.347 -4.437 1.00 14.03 C ATOM 1132 C GLU A 69 -1.973 -10.316 -5.522 1.00 14.15 C ATOM 1133 O GLU A 69 -2.514 -11.411 -5.674 1.00 62.14 O ATOM 1134 CB GLU A 69 -3.688 -8.580 -4.965 1.00 32.01 C ATOM 1135 CG GLU A 69 -4.260 -7.531 -4.009 1.00 70.22 C ATOM 1136 CD GLU A 69 -5.525 -6.864 -4.570 1.00 63.11 C ATOM 1137 OE1 GLU A 69 -5.416 -5.824 -5.249 1.00 44.31 O ATOM 1138 OE2 GLU A 69 -6.634 -7.404 -4.365 1.00 2.01 O ATOM 0 H GLU A 69 -1.522 -7.470 -4.461 1.00 24.42 H new ATOM 0 HA GLU A 69 -2.738 -9.916 -3.549 1.00 14.03 H new ATOM 0 HB2 GLU A 69 -3.414 -8.087 -5.898 1.00 32.01 H new ATOM 0 HB3 GLU A 69 -4.472 -9.299 -5.202 1.00 32.01 H new ATOM 0 HG2 GLU A 69 -4.492 -8.001 -3.053 1.00 70.22 H new ATOM 0 HG3 GLU A 69 -3.505 -6.769 -3.814 1.00 70.22 H new ATOM 1145 N SER A 70 -0.935 -9.861 -6.255 1.00 34.30 N ATOM 1146 CA SER A 70 -0.337 -10.579 -7.398 1.00 54.15 C ATOM 1147 C SER A 70 -1.383 -10.796 -8.531 1.00 12.35 C ATOM 1148 O SER A 70 -1.278 -11.739 -9.322 1.00 13.02 O ATOM 1149 CB SER A 70 0.313 -11.904 -6.920 1.00 60.30 C ATOM 1150 OG SER A 70 1.160 -11.676 -5.803 1.00 41.33 O ATOM 0 H SER A 70 -0.481 -8.967 -6.065 1.00 34.30 H new ATOM 0 HA SER A 70 0.457 -9.967 -7.826 1.00 54.15 H new ATOM 0 HB2 SER A 70 -0.464 -12.620 -6.653 1.00 60.30 H new ATOM 0 HB3 SER A 70 0.888 -12.347 -7.734 1.00 60.30 H new ATOM 0 HG SER A 70 1.382 -10.723 -5.750 1.00 41.33 H new ATOM 1156 N LYS A 71 -2.373 -9.871 -8.615 1.00 20.22 N ATOM 1157 CA LYS A 71 -3.472 -9.925 -9.614 1.00 12.42 C ATOM 1158 C LYS A 71 -3.041 -9.294 -10.962 1.00 32.43 C ATOM 1159 O LYS A 71 -2.027 -8.588 -11.000 1.00 11.03 O ATOM 1160 CB LYS A 71 -4.767 -9.255 -9.020 1.00 74.11 C ATOM 1161 CG LYS A 71 -4.609 -7.860 -8.347 1.00 70.14 C ATOM 1162 CD LYS A 71 -4.407 -6.671 -9.310 1.00 65.41 C ATOM 1163 CE LYS A 71 -5.625 -6.348 -10.187 1.00 3.34 C ATOM 1164 NZ LYS A 71 -5.334 -5.218 -11.119 1.00 25.41 N ATOM 0 H LYS A 71 -2.432 -9.066 -7.992 1.00 20.22 H new ATOM 0 HA LYS A 71 -3.706 -10.968 -9.829 1.00 12.42 H new ATOM 0 HB2 LYS A 71 -5.496 -9.160 -9.825 1.00 74.11 H new ATOM 0 HB3 LYS A 71 -5.192 -9.938 -8.284 1.00 74.11 H new ATOM 0 HG2 LYS A 71 -5.495 -7.667 -7.741 1.00 70.14 H new ATOM 0 HG3 LYS A 71 -3.759 -7.900 -7.665 1.00 70.14 H new ATOM 0 HD2 LYS A 71 -4.151 -5.787 -8.727 1.00 65.41 H new ATOM 0 HD3 LYS A 71 -3.556 -6.884 -9.957 1.00 65.41 H new ATOM 0 HE2 LYS A 71 -5.909 -7.231 -10.759 1.00 3.34 H new ATOM 0 HE3 LYS A 71 -6.475 -6.092 -9.554 1.00 3.34 H new ATOM 0 HZ1 LYS A 71 -6.005 -4.443 -10.945 1.00 25.41 H new ATOM 0 HZ2 LYS A 71 -4.364 -4.878 -10.960 1.00 25.41 H new ATOM 0 HZ3 LYS A 71 -5.430 -5.545 -12.102 1.00 25.41 H new ATOM 1178 N PRO A 72 -3.765 -9.582 -12.105 1.00 31.04 N ATOM 1179 CA PRO A 72 -3.517 -8.897 -13.399 1.00 22.11 C ATOM 1180 C PRO A 72 -4.014 -7.419 -13.359 1.00 3.13 C ATOM 1181 O PRO A 72 -5.220 -7.158 -13.580 1.00 32.14 O ATOM 1182 CB PRO A 72 -4.289 -9.772 -14.447 1.00 52.42 C ATOM 1183 CG PRO A 72 -4.687 -11.024 -13.708 1.00 24.30 C ATOM 1184 CD PRO A 72 -4.827 -10.618 -12.259 1.00 71.23 C ATOM 1185 OXT PRO A 72 -3.202 -6.514 -13.062 1.00 37.98 O ATOM 0 HA PRO A 72 -2.458 -8.819 -13.647 1.00 22.11 H new ATOM 0 HB2 PRO A 72 -5.164 -9.246 -14.829 1.00 52.42 H new ATOM 0 HB3 PRO A 72 -3.658 -10.006 -15.305 1.00 52.42 H new ATOM 0 HG2 PRO A 72 -5.624 -11.425 -14.094 1.00 24.30 H new ATOM 0 HG3 PRO A 72 -3.934 -11.804 -13.825 1.00 24.30 H new ATOM 0 HD2 PRO A 72 -5.818 -10.217 -12.045 1.00 71.23 H new ATOM 0 HD3 PRO A 72 -4.671 -11.461 -11.585 1.00 71.23 H new TER 1193 PRO A 72