USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 824 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 32 CYS SG : rot -130:sc= -1.22 USER MOD Set 1.2: A 76 GLN : amide:sc= -5.63! C(o=-6.9!,f=-7.8!) USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 60 ASN : amide:sc= -2.83 K(o=-2.8,f=-11!) USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 58 LYS NZ :NH3+ -123:sc= 1.03 (180deg=-0.0611) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 15 GLN : amide:sc= -0.0687 K(o=-0.069,f=-0.6) USER MOD Single : A 17 GLN : amide:sc= -0.339 K(o=-0.34,f=-1.7!) USER MOD Single : A 19 SER OG : rot 64:sc= 1.07 USER MOD Single : A 35 CYS SG : rot -22:sc= -0.137 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.477 K(o=-0.48,f=-1.8!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 48 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.3!) USER MOD Single : A 51 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.4) USER MOD Single : A 63 THR OG1 : rot -100:sc= -0.964 USER MOD Single : A 64 GLN : amide:sc= -0.36 K(o=-0.36,f=-1.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.016 K(o=-0.016,f=-0.54) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 77 SER OG : rot -150:sc= -0.191 USER MOD Single : A 78 THR OG1 : rot -80:sc= -0.803 USER MOD Single : A 82 TYR OH : rot 118:sc= 0.822 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 91 SER OG : rot 120:sc= -3.08! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.418 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0055 USER MOD Single : A 105 THR OG1 : rot -94:sc= 0.472 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.149 -2.240 -3.063 1.00 23.40 N ATOM 2 CA GLN A 1 2.015 -1.431 -3.493 1.00 4.10 C ATOM 3 C GLN A 1 2.478 -0.256 -4.348 1.00 4.21 C ATOM 4 O GLN A 1 3.106 0.678 -3.849 1.00 70.21 O ATOM 5 CB GLN A 1 1.238 -0.919 -2.279 1.00 51.32 C ATOM 6 CG GLN A 1 0.107 -1.839 -1.848 1.00 63.03 C ATOM 7 CD GLN A 1 0.435 -2.616 -0.589 1.00 2.15 C ATOM 8 OE1 GLN A 1 1.211 -3.572 -0.619 1.00 52.20 O ATOM 9 NE2 GLN A 1 -0.155 -2.209 0.529 1.00 52.30 N ATOM 0 H1 GLN A 1 2.809 -3.033 -2.483 1.00 23.40 H new ATOM 0 H2 GLN A 1 3.648 -2.610 -3.897 1.00 23.40 H new ATOM 0 H3 GLN A 1 3.800 -1.655 -2.502 1.00 23.40 H new ATOM 0 HA GLN A 1 1.360 -2.060 -4.096 1.00 4.10 H new ATOM 0 HB2 GLN A 1 1.928 -0.789 -1.445 1.00 51.32 H new ATOM 0 HB3 GLN A 1 0.828 0.064 -2.509 1.00 51.32 H new ATOM 0 HG2 GLN A 1 -0.794 -1.248 -1.681 1.00 63.03 H new ATOM 0 HG3 GLN A 1 -0.115 -2.538 -2.654 1.00 63.03 H new ATOM 0 HE21 GLN A 1 -0.791 -1.412 0.509 1.00 52.30 H new ATOM 0 HE22 GLN A 1 0.028 -2.693 1.408 1.00 52.30 H new ATOM 18 N ALA A 2 2.165 -0.309 -5.638 1.00 72.52 N ATOM 19 CA ALA A 2 2.547 0.751 -6.562 1.00 44.10 C ATOM 20 C ALA A 2 1.667 0.739 -7.807 1.00 33.01 C ATOM 21 O ALA A 2 2.098 0.317 -8.880 1.00 11.34 O ATOM 22 CB ALA A 2 4.012 0.612 -6.948 1.00 64.32 C ATOM 0 H ALA A 2 1.647 -1.076 -6.067 1.00 72.52 H new ATOM 0 HA ALA A 2 2.404 1.707 -6.058 1.00 44.10 H new ATOM 0 HB1 ALA A 2 4.284 1.410 -7.639 1.00 64.32 H new ATOM 0 HB2 ALA A 2 4.632 0.679 -6.054 1.00 64.32 H new ATOM 0 HB3 ALA A 2 4.172 -0.353 -7.428 1.00 64.32 H new ATOM 28 N ALA A 3 0.431 1.203 -7.656 1.00 53.52 N ATOM 29 CA ALA A 3 -0.510 1.247 -8.769 1.00 20.02 C ATOM 30 C ALA A 3 -1.808 1.937 -8.363 1.00 72.45 C ATOM 31 O ALA A 3 -2.411 1.597 -7.345 1.00 43.30 O ATOM 32 CB ALA A 3 -0.793 -0.159 -9.276 1.00 31.41 C ATOM 0 H ALA A 3 0.058 1.554 -6.774 1.00 53.52 H new ATOM 0 HA ALA A 3 -0.057 1.827 -9.573 1.00 20.02 H new ATOM 0 HB1 ALA A 3 -1.497 -0.111 -10.107 1.00 31.41 H new ATOM 0 HB2 ALA A 3 0.136 -0.618 -9.614 1.00 31.41 H new ATOM 0 HB3 ALA A 3 -1.221 -0.757 -8.471 1.00 31.41 H new ATOM 38 N SER A 4 -2.233 2.907 -9.167 1.00 35.44 N ATOM 39 CA SER A 4 -3.458 3.647 -8.889 1.00 14.24 C ATOM 40 C SER A 4 -3.971 4.341 -10.147 1.00 32.10 C ATOM 41 O SER A 4 -3.602 5.479 -10.437 1.00 12.13 O ATOM 42 CB SER A 4 -3.216 4.680 -7.786 1.00 71.21 C ATOM 43 OG SER A 4 -3.922 4.340 -6.605 1.00 43.01 O ATOM 0 H SER A 4 -1.747 3.198 -10.015 1.00 35.44 H new ATOM 0 HA SER A 4 -4.214 2.937 -8.553 1.00 14.24 H new ATOM 0 HB2 SER A 4 -2.149 4.743 -7.570 1.00 71.21 H new ATOM 0 HB3 SER A 4 -3.531 5.665 -8.131 1.00 71.21 H new ATOM 0 HG SER A 4 -3.750 5.014 -5.915 1.00 43.01 H new ATOM 49 N VAL A 5 -4.825 3.646 -10.892 1.00 11.00 N ATOM 50 CA VAL A 5 -5.391 4.194 -12.119 1.00 44.01 C ATOM 51 C VAL A 5 -6.870 4.518 -11.946 1.00 11.25 C ATOM 52 O VAL A 5 -7.644 3.692 -11.463 1.00 24.12 O ATOM 53 CB VAL A 5 -5.225 3.217 -13.298 1.00 52.24 C ATOM 54 CG1 VAL A 5 -3.755 2.898 -13.525 1.00 75.32 C ATOM 55 CG2 VAL A 5 -6.024 1.946 -13.053 1.00 1.03 C ATOM 0 H VAL A 5 -5.140 2.702 -10.667 1.00 11.00 H new ATOM 0 HA VAL A 5 -4.845 5.112 -12.337 1.00 44.01 H new ATOM 0 HB VAL A 5 -5.611 3.693 -14.199 1.00 52.24 H new ATOM 0 HG11 VAL A 5 -3.658 2.206 -14.362 1.00 75.32 H new ATOM 0 HG12 VAL A 5 -3.214 3.817 -13.749 1.00 75.32 H new ATOM 0 HG13 VAL A 5 -3.339 2.442 -12.627 1.00 75.32 H new ATOM 0 HG21 VAL A 5 -5.895 1.267 -13.896 1.00 1.03 H new ATOM 0 HG22 VAL A 5 -5.670 1.464 -12.142 1.00 1.03 H new ATOM 0 HG23 VAL A 5 -7.080 2.195 -12.946 1.00 1.03 H new ATOM 65 N GLU A 6 -7.256 5.726 -12.343 1.00 53.51 N ATOM 66 CA GLU A 6 -8.644 6.160 -12.231 1.00 31.42 C ATOM 67 C GLU A 6 -9.215 6.517 -13.600 1.00 40.11 C ATOM 68 O GLU A 6 -8.819 7.499 -14.229 1.00 20.23 O ATOM 69 CB GLU A 6 -8.752 7.362 -11.291 1.00 42.53 C ATOM 70 CG GLU A 6 -9.285 7.012 -9.912 1.00 54.05 C ATOM 71 CD GLU A 6 -8.208 7.036 -8.846 1.00 45.43 C ATOM 72 OE1 GLU A 6 -7.036 6.761 -9.181 1.00 52.43 O ATOM 73 OE2 GLU A 6 -8.535 7.330 -7.678 1.00 3.04 O ATOM 0 H GLU A 6 -6.628 6.422 -12.745 1.00 53.51 H new ATOM 0 HA GLU A 6 -9.224 5.334 -11.820 1.00 31.42 H new ATOM 0 HB2 GLU A 6 -7.768 7.819 -11.185 1.00 42.53 H new ATOM 0 HB3 GLU A 6 -9.404 8.109 -11.744 1.00 42.53 H new ATOM 0 HG2 GLU A 6 -10.073 7.715 -9.642 1.00 54.05 H new ATOM 0 HG3 GLU A 6 -9.738 6.021 -9.943 1.00 54.05 H new ATOM 80 N PRO A 7 -10.168 5.701 -14.075 1.00 12.44 N ATOM 81 CA PRO A 7 -10.814 5.910 -15.374 1.00 13.43 C ATOM 82 C PRO A 7 -11.723 7.135 -15.379 1.00 45.30 C ATOM 83 O PRO A 7 -12.838 7.095 -14.859 1.00 2.30 O ATOM 84 CB PRO A 7 -11.636 4.634 -15.570 1.00 54.34 C ATOM 85 CG PRO A 7 -11.897 4.135 -14.191 1.00 40.22 C ATOM 86 CD PRO A 7 -10.689 4.512 -13.379 1.00 41.51 C ATOM 0 HA PRO A 7 -10.088 6.092 -16.166 1.00 13.43 H new ATOM 0 HB2 PRO A 7 -12.566 4.840 -16.099 1.00 54.34 H new ATOM 0 HB3 PRO A 7 -11.090 3.898 -16.160 1.00 54.34 H new ATOM 0 HG2 PRO A 7 -12.800 4.584 -13.778 1.00 40.22 H new ATOM 0 HG3 PRO A 7 -12.048 3.055 -14.189 1.00 40.22 H new ATOM 0 HD2 PRO A 7 -10.953 4.735 -12.345 1.00 41.51 H new ATOM 0 HD3 PRO A 7 -9.954 3.707 -13.354 1.00 41.51 H new ATOM 94 N TYR A 8 -11.239 8.222 -15.970 1.00 4.11 N ATOM 95 CA TYR A 8 -12.007 9.459 -16.041 1.00 4.50 C ATOM 96 C TYR A 8 -12.620 9.798 -14.686 1.00 13.41 C ATOM 97 O TYR A 8 -13.748 9.406 -14.387 1.00 30.10 O ATOM 98 CB TYR A 8 -13.107 9.341 -17.097 1.00 12.44 C ATOM 99 CG TYR A 8 -13.059 8.049 -17.880 1.00 43.10 C ATOM 100 CD1 TYR A 8 -13.985 7.039 -17.649 1.00 43.15 C ATOM 101 CD2 TYR A 8 -12.087 7.837 -18.850 1.00 5.43 C ATOM 102 CE1 TYR A 8 -13.944 5.856 -18.362 1.00 40.32 C ATOM 103 CE2 TYR A 8 -12.039 6.659 -19.568 1.00 71.43 C ATOM 104 CZ TYR A 8 -12.970 5.671 -19.321 1.00 3.12 C ATOM 105 OH TYR A 8 -12.925 4.495 -20.033 1.00 61.34 O ATOM 0 H TYR A 8 -10.319 8.271 -16.407 1.00 4.11 H new ATOM 0 HA TYR A 8 -11.328 10.263 -16.323 1.00 4.50 H new ATOM 0 HB2 TYR A 8 -14.078 9.424 -16.609 1.00 12.44 H new ATOM 0 HB3 TYR A 8 -13.026 10.179 -17.789 1.00 12.44 H new ATOM 0 HD1 TYR A 8 -14.750 7.181 -16.900 1.00 43.15 H new ATOM 0 HD2 TYR A 8 -11.356 8.608 -19.046 1.00 5.43 H new ATOM 0 HE1 TYR A 8 -14.671 5.081 -18.169 1.00 40.32 H new ATOM 0 HE2 TYR A 8 -11.277 6.511 -20.319 1.00 71.43 H new ATOM 0 HH TYR A 8 -12.180 4.526 -20.669 1.00 61.34 H new ATOM 115 N SER A 9 -11.869 10.531 -13.870 1.00 51.00 N ATOM 116 CA SER A 9 -12.336 10.921 -12.545 1.00 13.30 C ATOM 117 C SER A 9 -11.570 12.138 -12.035 1.00 64.21 C ATOM 118 O SER A 9 -10.453 12.015 -11.531 1.00 41.25 O ATOM 119 CB SER A 9 -12.181 9.758 -11.563 1.00 51.23 C ATOM 120 OG SER A 9 -13.425 9.415 -10.979 1.00 34.14 O ATOM 0 H SER A 9 -10.935 10.867 -14.103 1.00 51.00 H new ATOM 0 HA SER A 9 -13.391 11.184 -12.622 1.00 13.30 H new ATOM 0 HB2 SER A 9 -11.768 8.893 -12.081 1.00 51.23 H new ATOM 0 HB3 SER A 9 -11.471 10.030 -10.782 1.00 51.23 H new ATOM 0 HG SER A 9 -13.300 8.668 -10.357 1.00 34.14 H new ATOM 126 N ASP A 10 -12.178 13.311 -12.170 1.00 5.22 N ATOM 127 CA ASP A 10 -11.554 14.551 -11.722 1.00 41.23 C ATOM 128 C ASP A 10 -11.171 14.466 -10.248 1.00 62.32 C ATOM 129 O ASP A 10 -10.136 14.988 -9.835 1.00 21.55 O ATOM 130 CB ASP A 10 -12.498 15.733 -11.949 1.00 34.32 C ATOM 131 CG ASP A 10 -11.770 16.973 -12.428 1.00 62.21 C ATOM 132 OD1 ASP A 10 -12.439 17.893 -12.943 1.00 73.12 O ATOM 133 OD2 ASP A 10 -10.530 17.024 -12.287 1.00 72.44 O ATOM 0 H ASP A 10 -13.102 13.430 -12.586 1.00 5.22 H new ATOM 0 HA ASP A 10 -10.646 14.703 -12.306 1.00 41.23 H new ATOM 0 HB2 ASP A 10 -13.255 15.454 -12.682 1.00 34.32 H new ATOM 0 HB3 ASP A 10 -13.022 15.959 -11.020 1.00 34.32 H new ATOM 138 N ALA A 11 -12.013 13.805 -9.461 1.00 21.14 N ATOM 139 CA ALA A 11 -11.762 13.650 -8.033 1.00 50.40 C ATOM 140 C ALA A 11 -10.480 12.864 -7.783 1.00 61.50 C ATOM 141 O ALA A 11 -9.933 12.884 -6.681 1.00 30.11 O ATOM 142 CB ALA A 11 -12.943 12.966 -7.361 1.00 10.24 C ATOM 0 H ALA A 11 -12.875 13.368 -9.788 1.00 21.14 H new ATOM 0 HA ALA A 11 -11.638 14.643 -7.601 1.00 50.40 H new ATOM 0 HB1 ALA A 11 -12.742 12.857 -6.295 1.00 10.24 H new ATOM 0 HB2 ALA A 11 -13.840 13.569 -7.501 1.00 10.24 H new ATOM 0 HB3 ALA A 11 -13.094 11.982 -7.804 1.00 10.24 H new ATOM 148 N ALA A 12 -10.006 12.170 -8.813 1.00 51.42 N ATOM 149 CA ALA A 12 -8.788 11.378 -8.705 1.00 64.10 C ATOM 150 C ALA A 12 -7.554 12.226 -8.994 1.00 4.04 C ATOM 151 O ALA A 12 -6.495 12.023 -8.398 1.00 73.02 O ATOM 152 CB ALA A 12 -8.846 10.188 -9.652 1.00 1.22 C ATOM 0 H ALA A 12 -10.448 12.141 -9.732 1.00 51.42 H new ATOM 0 HA ALA A 12 -8.713 11.011 -7.681 1.00 64.10 H new ATOM 0 HB1 ALA A 12 -7.929 9.605 -9.561 1.00 1.22 H new ATOM 0 HB2 ALA A 12 -9.701 9.562 -9.397 1.00 1.22 H new ATOM 0 HB3 ALA A 12 -8.949 10.544 -10.677 1.00 1.22 H new ATOM 158 N PHE A 13 -7.696 13.177 -9.911 1.00 72.42 N ATOM 159 CA PHE A 13 -6.592 14.055 -10.280 1.00 60.11 C ATOM 160 C PHE A 13 -5.953 14.675 -9.041 1.00 21.11 C ATOM 161 O PHE A 13 -4.741 14.888 -8.993 1.00 61.11 O ATOM 162 CB PHE A 13 -7.082 15.158 -11.221 1.00 61.50 C ATOM 163 CG PHE A 13 -5.971 15.975 -11.816 1.00 12.32 C ATOM 164 CD1 PHE A 13 -5.351 15.577 -12.989 1.00 32.41 C ATOM 165 CD2 PHE A 13 -5.547 17.142 -11.201 1.00 41.42 C ATOM 166 CE1 PHE A 13 -4.329 16.327 -13.539 1.00 51.02 C ATOM 167 CE2 PHE A 13 -4.526 17.897 -11.747 1.00 3.00 C ATOM 168 CZ PHE A 13 -3.915 17.488 -12.917 1.00 12.24 C ATOM 0 H PHE A 13 -8.565 13.359 -10.412 1.00 72.42 H new ATOM 0 HA PHE A 13 -5.840 13.456 -10.794 1.00 60.11 H new ATOM 0 HB2 PHE A 13 -7.662 14.707 -12.026 1.00 61.50 H new ATOM 0 HB3 PHE A 13 -7.755 15.818 -10.675 1.00 61.50 H new ATOM 0 HD1 PHE A 13 -5.670 14.669 -13.480 1.00 32.41 H new ATOM 0 HD2 PHE A 13 -6.019 17.465 -10.285 1.00 41.42 H new ATOM 0 HE1 PHE A 13 -3.855 16.005 -14.454 1.00 51.02 H new ATOM 0 HE2 PHE A 13 -4.206 18.806 -11.259 1.00 3.00 H new ATOM 0 HZ PHE A 13 -3.115 18.075 -13.344 1.00 12.24 H new ATOM 178 N THR A 14 -6.777 14.963 -8.039 1.00 13.54 N ATOM 179 CA THR A 14 -6.295 15.560 -6.800 1.00 2.52 C ATOM 180 C THR A 14 -5.762 14.496 -5.847 1.00 52.04 C ATOM 181 O THR A 14 -4.614 14.562 -5.409 1.00 14.04 O ATOM 182 CB THR A 14 -7.405 16.358 -6.091 1.00 14.23 C ATOM 183 OG1 THR A 14 -8.691 15.869 -6.490 1.00 2.23 O ATOM 184 CG2 THR A 14 -7.298 17.841 -6.415 1.00 32.40 C ATOM 0 H THR A 14 -7.782 14.792 -8.061 1.00 13.54 H new ATOM 0 HA THR A 14 -5.486 16.239 -7.071 1.00 2.52 H new ATOM 0 HB THR A 14 -7.285 16.228 -5.015 1.00 14.23 H new ATOM 0 HG1 THR A 14 -9.391 16.380 -6.034 1.00 2.23 H new ATOM 0 HG21 THR A 14 -8.093 18.384 -5.903 1.00 32.40 H new ATOM 0 HG22 THR A 14 -6.330 18.217 -6.084 1.00 32.40 H new ATOM 0 HG23 THR A 14 -7.395 17.986 -7.491 1.00 32.40 H new ATOM 192 N GLN A 15 -6.603 13.516 -5.533 1.00 11.13 N ATOM 193 CA GLN A 15 -6.215 12.437 -4.632 1.00 13.33 C ATOM 194 C GLN A 15 -4.929 11.769 -5.105 1.00 23.22 C ATOM 195 O GLN A 15 -4.191 11.187 -4.310 1.00 13.24 O ATOM 196 CB GLN A 15 -7.336 11.401 -4.531 1.00 64.44 C ATOM 197 CG GLN A 15 -8.683 11.995 -4.154 1.00 2.22 C ATOM 198 CD GLN A 15 -9.102 11.640 -2.741 1.00 1.52 C ATOM 199 OE1 GLN A 15 -8.262 11.445 -1.862 1.00 64.23 O ATOM 200 NE2 GLN A 15 -10.408 11.556 -2.514 1.00 25.21 N ATOM 0 H GLN A 15 -7.556 13.447 -5.889 1.00 11.13 H new ATOM 0 HA GLN A 15 -6.037 12.866 -3.646 1.00 13.33 H new ATOM 0 HB2 GLN A 15 -7.430 10.886 -5.487 1.00 64.44 H new ATOM 0 HB3 GLN A 15 -7.060 10.650 -3.791 1.00 64.44 H new ATOM 0 HG2 GLN A 15 -8.638 13.079 -4.254 1.00 2.22 H new ATOM 0 HG3 GLN A 15 -9.440 11.641 -4.853 1.00 2.22 H new ATOM 0 HE21 GLN A 15 -11.069 11.726 -3.272 1.00 25.21 H new ATOM 0 HE22 GLN A 15 -10.750 11.322 -1.582 1.00 25.21 H new ATOM 209 N ALA A 16 -4.666 11.856 -6.405 1.00 30.23 N ATOM 210 CA ALA A 16 -3.468 11.261 -6.983 1.00 63.23 C ATOM 211 C ALA A 16 -2.234 12.104 -6.679 1.00 32.14 C ATOM 212 O ALA A 16 -1.126 11.580 -6.567 1.00 51.31 O ATOM 213 CB ALA A 16 -3.636 11.091 -8.486 1.00 4.30 C ATOM 0 H ALA A 16 -5.267 12.333 -7.077 1.00 30.23 H new ATOM 0 HA ALA A 16 -3.325 10.280 -6.531 1.00 63.23 H new ATOM 0 HB1 ALA A 16 -2.734 10.646 -8.905 1.00 4.30 H new ATOM 0 HB2 ALA A 16 -4.488 10.441 -8.686 1.00 4.30 H new ATOM 0 HB3 ALA A 16 -3.807 12.065 -8.945 1.00 4.30 H new ATOM 219 N GLN A 17 -2.435 13.411 -6.546 1.00 44.10 N ATOM 220 CA GLN A 17 -1.337 14.326 -6.256 1.00 10.13 C ATOM 221 C GLN A 17 -1.127 14.464 -4.751 1.00 64.14 C ATOM 222 O GLN A 17 -0.051 14.854 -4.299 1.00 21.15 O ATOM 223 CB GLN A 17 -1.613 15.699 -6.872 1.00 21.22 C ATOM 224 CG GLN A 17 -2.409 16.624 -5.965 1.00 60.34 C ATOM 225 CD GLN A 17 -1.532 17.620 -5.233 1.00 40.34 C ATOM 226 OE1 GLN A 17 -0.492 18.041 -5.742 1.00 32.41 O ATOM 227 NE2 GLN A 17 -1.948 18.005 -4.032 1.00 64.33 N ATOM 0 H GLN A 17 -3.347 13.860 -6.634 1.00 44.10 H new ATOM 0 HA GLN A 17 -0.428 13.914 -6.695 1.00 10.13 H new ATOM 0 HB2 GLN A 17 -0.664 16.175 -7.119 1.00 21.22 H new ATOM 0 HB3 GLN A 17 -2.156 15.566 -7.808 1.00 21.22 H new ATOM 0 HG2 GLN A 17 -3.146 17.163 -6.559 1.00 60.34 H new ATOM 0 HG3 GLN A 17 -2.960 16.028 -5.238 1.00 60.34 H new ATOM 0 HE21 GLN A 17 -2.816 17.631 -3.649 1.00 64.33 H new ATOM 0 HE22 GLN A 17 -1.400 18.675 -3.493 1.00 64.33 H new ATOM 236 N ALA A 18 -2.161 14.142 -3.982 1.00 73.52 N ATOM 237 CA ALA A 18 -2.089 14.228 -2.529 1.00 30.20 C ATOM 238 C ALA A 18 -1.578 12.923 -1.926 1.00 55.43 C ATOM 239 O ALA A 18 -1.610 12.736 -0.710 1.00 52.21 O ATOM 240 CB ALA A 18 -3.453 14.580 -1.953 1.00 25.43 C ATOM 0 H ALA A 18 -3.059 13.819 -4.341 1.00 73.52 H new ATOM 0 HA ALA A 18 -1.383 15.017 -2.271 1.00 30.20 H new ATOM 0 HB1 ALA A 18 -3.385 14.641 -0.867 1.00 25.43 H new ATOM 0 HB2 ALA A 18 -3.779 15.541 -2.351 1.00 25.43 H new ATOM 0 HB3 ALA A 18 -4.174 13.810 -2.228 1.00 25.43 H new ATOM 246 N SER A 19 -1.109 12.024 -2.785 1.00 2.10 N ATOM 247 CA SER A 19 -0.595 10.735 -2.337 1.00 75.21 C ATOM 248 C SER A 19 0.904 10.811 -2.068 1.00 63.11 C ATOM 249 O SER A 19 1.428 10.110 -1.203 1.00 14.32 O ATOM 250 CB SER A 19 -0.883 9.656 -3.383 1.00 54.12 C ATOM 251 OG SER A 19 -2.274 9.404 -3.487 1.00 11.42 O ATOM 0 H SER A 19 -1.074 12.164 -3.795 1.00 2.10 H new ATOM 0 HA SER A 19 -1.100 10.474 -1.407 1.00 75.21 H new ATOM 0 HB2 SER A 19 -0.494 9.971 -4.351 1.00 54.12 H new ATOM 0 HB3 SER A 19 -0.363 8.737 -3.114 1.00 54.12 H new ATOM 0 HG SER A 19 -2.730 10.212 -3.803 1.00 11.42 H new ATOM 257 N GLY A 20 1.591 11.668 -2.818 1.00 0.14 N ATOM 258 CA GLY A 20 3.024 11.821 -2.646 1.00 31.00 C ATOM 259 C GLY A 20 3.818 10.912 -3.563 1.00 31.11 C ATOM 260 O GLY A 20 4.974 11.193 -3.878 1.00 31.03 O ATOM 0 H GLY A 20 1.181 12.259 -3.541 1.00 0.14 H new ATOM 0 HA2 GLY A 20 3.301 12.858 -2.838 1.00 31.00 H new ATOM 0 HA3 GLY A 20 3.287 11.607 -1.610 1.00 31.00 H new ATOM 264 N ALA A 21 3.197 9.818 -3.991 1.00 60.33 N ATOM 265 CA ALA A 21 3.853 8.865 -4.878 1.00 22.54 C ATOM 266 C ALA A 21 3.818 9.346 -6.324 1.00 64.11 C ATOM 267 O ALA A 21 3.079 10.263 -6.681 1.00 12.44 O ATOM 268 CB ALA A 21 3.198 7.496 -4.759 1.00 5.22 C ATOM 0 H ALA A 21 2.241 9.570 -3.738 1.00 60.33 H new ATOM 0 HA ALA A 21 4.897 8.784 -4.575 1.00 22.54 H new ATOM 0 HB1 ALA A 21 3.698 6.794 -5.427 1.00 5.22 H new ATOM 0 HB2 ALA A 21 3.281 7.141 -3.732 1.00 5.22 H new ATOM 0 HB3 ALA A 21 2.146 7.571 -5.033 1.00 5.22 H new ATOM 274 N PRO A 22 4.637 8.714 -7.179 1.00 10.54 N ATOM 275 CA PRO A 22 4.718 9.062 -8.600 1.00 50.24 C ATOM 276 C PRO A 22 3.458 8.672 -9.365 1.00 61.54 C ATOM 277 O PRO A 22 3.077 7.501 -9.397 1.00 53.42 O ATOM 278 CB PRO A 22 5.918 8.251 -9.096 1.00 73.01 C ATOM 279 CG PRO A 22 6.009 7.097 -8.158 1.00 12.52 C ATOM 280 CD PRO A 22 5.546 7.612 -6.823 1.00 1.12 C ATOM 0 HA PRO A 22 4.821 10.137 -8.751 1.00 50.24 H new ATOM 0 HB2 PRO A 22 5.772 7.916 -10.123 1.00 73.01 H new ATOM 0 HB3 PRO A 22 6.831 8.846 -9.081 1.00 73.01 H new ATOM 0 HG2 PRO A 22 5.385 6.270 -8.495 1.00 12.52 H new ATOM 0 HG3 PRO A 22 7.031 6.722 -8.099 1.00 12.52 H new ATOM 0 HD2 PRO A 22 5.035 6.839 -6.249 1.00 1.12 H new ATOM 0 HD3 PRO A 22 6.381 7.960 -6.215 1.00 1.12 H new ATOM 288 N VAL A 23 2.815 9.659 -9.982 1.00 24.44 N ATOM 289 CA VAL A 23 1.599 9.417 -10.748 1.00 51.52 C ATOM 290 C VAL A 23 1.583 10.246 -12.028 1.00 73.41 C ATOM 291 O VAL A 23 1.783 11.461 -11.997 1.00 73.42 O ATOM 292 CB VAL A 23 0.341 9.745 -9.922 1.00 72.31 C ATOM 293 CG1 VAL A 23 -0.916 9.496 -10.742 1.00 11.01 C ATOM 294 CG2 VAL A 23 0.320 8.929 -8.638 1.00 51.03 C ATOM 0 H VAL A 23 3.116 10.633 -9.966 1.00 24.44 H new ATOM 0 HA VAL A 23 1.591 8.357 -11.004 1.00 51.52 H new ATOM 0 HB VAL A 23 0.368 10.801 -9.654 1.00 72.31 H new ATOM 0 HG11 VAL A 23 -1.795 9.733 -10.142 1.00 11.01 H new ATOM 0 HG12 VAL A 23 -0.902 10.127 -11.630 1.00 11.01 H new ATOM 0 HG13 VAL A 23 -0.953 8.449 -11.042 1.00 11.01 H new ATOM 0 HG21 VAL A 23 -0.575 9.173 -8.066 1.00 51.03 H new ATOM 0 HG22 VAL A 23 0.316 7.867 -8.882 1.00 51.03 H new ATOM 0 HG23 VAL A 23 1.204 9.162 -8.044 1.00 51.03 H new ATOM 304 N LEU A 24 1.343 9.581 -13.153 1.00 71.01 N ATOM 305 CA LEU A 24 1.300 10.255 -14.446 1.00 14.51 C ATOM 306 C LEU A 24 -0.141 10.500 -14.885 1.00 24.33 C ATOM 307 O LEU A 24 -1.041 9.729 -14.552 1.00 13.32 O ATOM 308 CB LEU A 24 2.033 9.425 -15.501 1.00 54.42 C ATOM 309 CG LEU A 24 2.257 10.105 -16.852 1.00 63.24 C ATOM 310 CD1 LEU A 24 3.717 10.497 -17.016 1.00 44.52 C ATOM 311 CD2 LEU A 24 1.818 9.192 -17.988 1.00 30.00 C ATOM 0 H LEU A 24 1.175 8.576 -13.196 1.00 71.01 H new ATOM 0 HA LEU A 24 1.797 11.219 -14.342 1.00 14.51 H new ATOM 0 HB2 LEU A 24 3.003 9.135 -15.097 1.00 54.42 H new ATOM 0 HB3 LEU A 24 1.470 8.507 -15.668 1.00 54.42 H new ATOM 0 HG LEU A 24 1.652 11.011 -16.886 1.00 63.24 H new ATOM 0 HD11 LEU A 24 3.858 10.980 -17.983 1.00 44.52 H new ATOM 0 HD12 LEU A 24 4.000 11.187 -16.221 1.00 44.52 H new ATOM 0 HD13 LEU A 24 4.342 9.605 -16.961 1.00 44.52 H new ATOM 0 HD21 LEU A 24 1.985 9.692 -18.942 1.00 30.00 H new ATOM 0 HD22 LEU A 24 2.396 8.268 -17.957 1.00 30.00 H new ATOM 0 HD23 LEU A 24 0.758 8.961 -17.880 1.00 30.00 H new ATOM 323 N VAL A 25 -0.351 11.576 -15.636 1.00 4.10 N ATOM 324 CA VAL A 25 -1.681 11.920 -16.124 1.00 3.32 C ATOM 325 C VAL A 25 -1.730 11.898 -17.647 1.00 50.34 C ATOM 326 O VAL A 25 -0.787 12.322 -18.315 1.00 63.04 O ATOM 327 CB VAL A 25 -2.118 13.311 -15.627 1.00 52.10 C ATOM 328 CG1 VAL A 25 -3.581 13.561 -15.959 1.00 53.25 C ATOM 329 CG2 VAL A 25 -1.873 13.444 -14.132 1.00 25.34 C ATOM 0 H VAL A 25 0.383 12.225 -15.920 1.00 4.10 H new ATOM 0 HA VAL A 25 -2.367 11.170 -15.731 1.00 3.32 H new ATOM 0 HB VAL A 25 -1.519 14.065 -16.139 1.00 52.10 H new ATOM 0 HG11 VAL A 25 -3.872 14.548 -15.600 1.00 53.25 H new ATOM 0 HG12 VAL A 25 -3.723 13.511 -17.039 1.00 53.25 H new ATOM 0 HG13 VAL A 25 -4.198 12.803 -15.476 1.00 53.25 H new ATOM 0 HG21 VAL A 25 -2.188 14.433 -13.798 1.00 25.34 H new ATOM 0 HG22 VAL A 25 -2.444 12.683 -13.601 1.00 25.34 H new ATOM 0 HG23 VAL A 25 -0.811 13.312 -13.924 1.00 25.34 H new ATOM 339 N ASP A 26 -2.836 11.402 -18.191 1.00 11.13 N ATOM 340 CA ASP A 26 -3.010 11.326 -19.637 1.00 1.04 C ATOM 341 C ASP A 26 -4.467 11.564 -20.022 1.00 44.41 C ATOM 342 O ASP A 26 -5.348 10.777 -19.677 1.00 41.11 O ATOM 343 CB ASP A 26 -2.548 9.964 -20.156 1.00 73.43 C ATOM 344 CG ASP A 26 -1.504 10.084 -21.249 1.00 13.11 C ATOM 345 OD1 ASP A 26 -0.604 9.220 -21.308 1.00 12.21 O ATOM 346 OD2 ASP A 26 -1.588 11.042 -22.046 1.00 22.14 O ATOM 0 H ASP A 26 -3.626 11.046 -17.652 1.00 11.13 H new ATOM 0 HA ASP A 26 -2.401 12.106 -20.094 1.00 1.04 H new ATOM 0 HB2 ASP A 26 -2.139 9.383 -19.329 1.00 73.43 H new ATOM 0 HB3 ASP A 26 -3.408 9.413 -20.538 1.00 73.43 H new ATOM 351 N VAL A 27 -4.713 12.657 -20.739 1.00 23.42 N ATOM 352 CA VAL A 27 -6.062 12.999 -21.171 1.00 53.13 C ATOM 353 C VAL A 27 -6.390 12.354 -22.513 1.00 62.21 C ATOM 354 O VAL A 27 -5.586 12.392 -23.445 1.00 23.23 O ATOM 355 CB VAL A 27 -6.244 14.524 -21.290 1.00 3.14 C ATOM 356 CG1 VAL A 27 -7.716 14.896 -21.195 1.00 24.14 C ATOM 357 CG2 VAL A 27 -5.434 15.241 -20.220 1.00 11.13 C ATOM 0 H VAL A 27 -3.995 13.320 -21.032 1.00 23.42 H new ATOM 0 HA VAL A 27 -6.743 12.617 -20.411 1.00 53.13 H new ATOM 0 HB VAL A 27 -5.877 14.841 -22.266 1.00 3.14 H new ATOM 0 HG11 VAL A 27 -7.824 15.977 -21.281 1.00 24.14 H new ATOM 0 HG12 VAL A 27 -8.267 14.411 -22.001 1.00 24.14 H new ATOM 0 HG13 VAL A 27 -8.113 14.567 -20.235 1.00 24.14 H new ATOM 0 HG21 VAL A 27 -5.574 16.318 -20.318 1.00 11.13 H new ATOM 0 HG22 VAL A 27 -5.769 14.920 -19.234 1.00 11.13 H new ATOM 0 HG23 VAL A 27 -4.378 15.000 -20.340 1.00 11.13 H new ATOM 367 N TYR A 28 -7.575 11.762 -22.605 1.00 15.12 N ATOM 368 CA TYR A 28 -8.009 11.106 -23.833 1.00 14.24 C ATOM 369 C TYR A 28 -9.445 11.491 -24.178 1.00 44.20 C ATOM 370 O TYR A 28 -10.171 12.033 -23.345 1.00 74.45 O ATOM 371 CB TYR A 28 -7.897 9.587 -23.691 1.00 41.23 C ATOM 372 CG TYR A 28 -9.231 8.894 -23.532 1.00 21.52 C ATOM 373 CD1 TYR A 28 -9.738 8.081 -24.539 1.00 12.15 C ATOM 374 CD2 TYR A 28 -9.984 9.051 -22.375 1.00 54.13 C ATOM 375 CE1 TYR A 28 -10.957 7.446 -24.398 1.00 22.34 C ATOM 376 CE2 TYR A 28 -11.203 8.419 -22.225 1.00 73.41 C ATOM 377 CZ TYR A 28 -11.685 7.617 -23.239 1.00 53.20 C ATOM 378 OH TYR A 28 -12.900 6.986 -23.094 1.00 3.51 O ATOM 0 H TYR A 28 -8.253 11.723 -21.844 1.00 15.12 H new ATOM 0 HA TYR A 28 -7.358 11.438 -24.642 1.00 14.24 H new ATOM 0 HB2 TYR A 28 -7.390 9.185 -24.568 1.00 41.23 H new ATOM 0 HB3 TYR A 28 -7.272 9.356 -22.828 1.00 41.23 H new ATOM 0 HD1 TYR A 28 -9.170 7.943 -25.447 1.00 12.15 H new ATOM 0 HD2 TYR A 28 -9.610 9.678 -21.579 1.00 54.13 H new ATOM 0 HE1 TYR A 28 -11.338 6.819 -25.191 1.00 22.34 H new ATOM 0 HE2 TYR A 28 -11.776 8.552 -21.319 1.00 73.41 H new ATOM 0 HH TYR A 28 -13.283 7.210 -22.220 1.00 3.51 H new ATOM 388 N ALA A 29 -9.846 11.207 -25.413 1.00 23.33 N ATOM 389 CA ALA A 29 -11.194 11.520 -25.869 1.00 72.11 C ATOM 390 C ALA A 29 -11.830 10.322 -26.566 1.00 60.11 C ATOM 391 O ALA A 29 -11.187 9.290 -26.757 1.00 61.41 O ATOM 392 CB ALA A 29 -11.170 12.723 -26.800 1.00 51.11 C ATOM 0 H ALA A 29 -9.256 10.761 -26.115 1.00 23.33 H new ATOM 0 HA ALA A 29 -11.799 11.762 -24.995 1.00 72.11 H new ATOM 0 HB1 ALA A 29 -12.184 12.946 -27.133 1.00 51.11 H new ATOM 0 HB2 ALA A 29 -10.765 13.585 -26.270 1.00 51.11 H new ATOM 0 HB3 ALA A 29 -10.544 12.501 -27.665 1.00 51.11 H new ATOM 398 N ASP A 30 -13.096 10.466 -26.943 1.00 64.01 N ATOM 399 CA ASP A 30 -13.818 9.395 -27.620 1.00 15.24 C ATOM 400 C ASP A 30 -12.961 8.768 -28.715 1.00 12.15 C ATOM 401 O ASP A 30 -13.051 7.568 -28.976 1.00 2.53 O ATOM 402 CB ASP A 30 -15.121 9.929 -28.217 1.00 72.14 C ATOM 403 CG ASP A 30 -16.345 9.244 -27.642 1.00 54.31 C ATOM 404 OD1 ASP A 30 -16.302 8.010 -27.453 1.00 42.41 O ATOM 405 OD2 ASP A 30 -17.347 9.943 -27.380 1.00 22.41 O ATOM 0 H ASP A 30 -13.643 11.313 -26.791 1.00 64.01 H new ATOM 0 HA ASP A 30 -14.052 8.626 -26.884 1.00 15.24 H new ATOM 0 HB2 ASP A 30 -15.189 11.001 -28.034 1.00 72.14 H new ATOM 0 HB3 ASP A 30 -15.105 9.791 -29.298 1.00 72.14 H new ATOM 410 N TRP A 31 -12.132 9.587 -29.351 1.00 54.25 N ATOM 411 CA TRP A 31 -11.260 9.113 -30.419 1.00 63.54 C ATOM 412 C TRP A 31 -10.405 10.249 -30.969 1.00 62.13 C ATOM 413 O TRP A 31 -10.355 10.470 -32.180 1.00 3.41 O ATOM 414 CB TRP A 31 -12.088 8.491 -31.545 1.00 33.44 C ATOM 415 CG TRP A 31 -12.000 6.995 -31.590 1.00 52.12 C ATOM 416 CD1 TRP A 31 -13.040 6.111 -31.545 1.00 12.01 C ATOM 417 CD2 TRP A 31 -10.807 6.210 -31.688 1.00 72.51 C ATOM 418 NE1 TRP A 31 -12.566 4.823 -31.609 1.00 5.13 N ATOM 419 CE2 TRP A 31 -11.199 4.856 -31.698 1.00 11.50 C ATOM 420 CE3 TRP A 31 -9.447 6.517 -31.771 1.00 4.24 C ATOM 421 CZ2 TRP A 31 -10.278 3.816 -31.786 1.00 32.24 C ATOM 422 CZ3 TRP A 31 -8.534 5.483 -31.857 1.00 40.22 C ATOM 423 CH2 TRP A 31 -8.953 4.146 -31.865 1.00 24.00 C ATOM 0 H TRP A 31 -12.045 10.582 -29.146 1.00 54.25 H new ATOM 0 HA TRP A 31 -10.598 8.354 -30.002 1.00 63.54 H new ATOM 0 HB2 TRP A 31 -13.131 8.783 -31.423 1.00 33.44 H new ATOM 0 HB3 TRP A 31 -11.753 8.897 -32.500 1.00 33.44 H new ATOM 0 HD1 TRP A 31 -14.082 6.384 -31.470 1.00 12.01 H new ATOM 0 HE1 TRP A 31 -13.139 3.979 -31.593 1.00 5.13 H new ATOM 0 HE3 TRP A 31 -9.115 7.545 -31.768 1.00 4.24 H new ATOM 0 HZ2 TRP A 31 -10.598 2.785 -31.792 1.00 32.24 H new ATOM 0 HZ3 TRP A 31 -7.480 5.709 -31.919 1.00 40.22 H new ATOM 0 HH2 TRP A 31 -8.215 3.360 -31.935 1.00 24.00 H new ATOM 434 N CYS A 32 -9.734 10.966 -30.074 1.00 73.52 N ATOM 435 CA CYS A 32 -8.881 12.080 -30.471 1.00 53.30 C ATOM 436 C CYS A 32 -7.580 11.577 -31.086 1.00 63.33 C ATOM 437 O CYS A 32 -7.198 10.417 -30.929 1.00 23.04 O ATOM 438 CB CYS A 32 -8.578 12.972 -29.266 1.00 35.11 C ATOM 439 SG CYS A 32 -9.530 14.509 -29.227 1.00 73.21 S ATOM 0 H CYS A 32 -9.764 10.796 -29.069 1.00 73.52 H new ATOM 0 HA CYS A 32 -9.414 12.664 -31.221 1.00 53.30 H new ATOM 0 HB2 CYS A 32 -8.777 12.411 -28.353 1.00 35.11 H new ATOM 0 HB3 CYS A 32 -7.515 13.215 -29.266 1.00 35.11 H new ATOM 0 HG CYS A 32 -8.727 15.512 -29.032 1.00 73.21 H new ATOM 445 N PRO A 33 -6.882 12.468 -31.806 1.00 63.42 N ATOM 446 CA PRO A 33 -5.613 12.136 -32.461 1.00 42.10 C ATOM 447 C PRO A 33 -4.484 11.914 -31.460 1.00 14.23 C ATOM 448 O PRO A 33 -3.498 11.241 -31.759 1.00 52.15 O ATOM 449 CB PRO A 33 -5.327 13.367 -33.325 1.00 10.24 C ATOM 450 CG PRO A 33 -6.048 14.481 -32.647 1.00 20.11 C ATOM 451 CD PRO A 33 -7.277 13.867 -32.036 1.00 13.20 C ATOM 0 HA PRO A 33 -5.678 11.207 -33.027 1.00 42.10 H new ATOM 0 HB2 PRO A 33 -4.257 13.567 -33.387 1.00 10.24 H new ATOM 0 HB3 PRO A 33 -5.685 13.227 -34.345 1.00 10.24 H new ATOM 0 HG2 PRO A 33 -5.422 14.944 -31.884 1.00 20.11 H new ATOM 0 HG3 PRO A 33 -6.315 15.263 -33.358 1.00 20.11 H new ATOM 0 HD2 PRO A 33 -7.555 14.364 -31.106 1.00 13.20 H new ATOM 0 HD3 PRO A 33 -8.136 13.937 -32.704 1.00 13.20 H new ATOM 459 N VAL A 34 -4.636 12.484 -30.268 1.00 42.34 N ATOM 460 CA VAL A 34 -3.630 12.347 -29.222 1.00 1.31 C ATOM 461 C VAL A 34 -3.596 10.925 -28.675 1.00 62.43 C ATOM 462 O VAL A 34 -2.542 10.287 -28.640 1.00 14.43 O ATOM 463 CB VAL A 34 -3.891 13.325 -28.061 1.00 41.41 C ATOM 464 CG1 VAL A 34 -2.759 13.265 -27.047 1.00 22.01 C ATOM 465 CG2 VAL A 34 -4.071 14.741 -28.588 1.00 44.10 C ATOM 0 H VAL A 34 -5.446 13.045 -30.003 1.00 42.34 H new ATOM 0 HA VAL A 34 -2.667 12.582 -29.676 1.00 1.31 H new ATOM 0 HB VAL A 34 -4.812 13.028 -27.559 1.00 41.41 H new ATOM 0 HG11 VAL A 34 -2.961 13.963 -26.234 1.00 22.01 H new ATOM 0 HG12 VAL A 34 -2.682 12.254 -26.647 1.00 22.01 H new ATOM 0 HG13 VAL A 34 -1.821 13.535 -27.532 1.00 22.01 H new ATOM 0 HG21 VAL A 34 -4.255 15.419 -27.754 1.00 44.10 H new ATOM 0 HG22 VAL A 34 -3.169 15.050 -29.115 1.00 44.10 H new ATOM 0 HG23 VAL A 34 -4.919 14.770 -29.272 1.00 44.10 H new ATOM 475 N CYS A 35 -4.754 10.432 -28.251 1.00 11.12 N ATOM 476 CA CYS A 35 -4.857 9.083 -27.705 1.00 55.31 C ATOM 477 C CYS A 35 -4.706 8.038 -28.806 1.00 4.43 C ATOM 478 O CYS A 35 -4.363 6.886 -28.540 1.00 42.11 O ATOM 479 CB CYS A 35 -6.198 8.900 -26.993 1.00 14.32 C ATOM 480 SG CYS A 35 -6.456 7.242 -26.319 1.00 54.33 S ATOM 0 H CYS A 35 -5.635 10.946 -28.275 1.00 11.12 H new ATOM 0 HA CYS A 35 -4.050 8.946 -26.985 1.00 55.31 H new ATOM 0 HB2 CYS A 35 -6.269 9.625 -26.182 1.00 14.32 H new ATOM 0 HB3 CYS A 35 -7.003 9.125 -27.693 1.00 14.32 H new ATOM 0 HG CYS A 35 -5.686 6.397 -26.939 1.00 54.33 H new ATOM 486 N LYS A 36 -4.965 8.448 -30.043 1.00 22.12 N ATOM 487 CA LYS A 36 -4.858 7.548 -31.185 1.00 42.23 C ATOM 488 C LYS A 36 -3.423 7.492 -31.701 1.00 55.44 C ATOM 489 O LYS A 36 -2.968 6.456 -32.185 1.00 60.02 O ATOM 490 CB LYS A 36 -5.797 8.000 -32.306 1.00 31.31 C ATOM 491 CG LYS A 36 -5.623 7.219 -33.597 1.00 34.41 C ATOM 492 CD LYS A 36 -4.785 7.986 -34.605 1.00 4.33 C ATOM 493 CE LYS A 36 -5.630 8.969 -35.400 1.00 72.24 C ATOM 494 NZ LYS A 36 -6.085 8.388 -36.694 1.00 45.44 N ATOM 0 H LYS A 36 -5.251 9.398 -30.280 1.00 22.12 H new ATOM 0 HA LYS A 36 -5.147 6.549 -30.857 1.00 42.23 H new ATOM 0 HB2 LYS A 36 -6.828 7.900 -31.967 1.00 31.31 H new ATOM 0 HB3 LYS A 36 -5.628 9.058 -32.506 1.00 31.31 H new ATOM 0 HG2 LYS A 36 -5.149 6.261 -33.383 1.00 34.41 H new ATOM 0 HG3 LYS A 36 -6.601 7.002 -34.026 1.00 34.41 H new ATOM 0 HD2 LYS A 36 -3.992 8.524 -34.086 1.00 4.33 H new ATOM 0 HD3 LYS A 36 -4.302 7.285 -35.286 1.00 4.33 H new ATOM 0 HE2 LYS A 36 -6.497 9.264 -34.809 1.00 72.24 H new ATOM 0 HE3 LYS A 36 -5.052 9.873 -35.591 1.00 72.24 H new ATOM 0 HZ1 LYS A 36 -6.658 9.088 -37.207 1.00 45.44 H new ATOM 0 HZ2 LYS A 36 -5.258 8.130 -37.269 1.00 45.44 H new ATOM 0 HZ3 LYS A 36 -6.658 7.539 -36.511 1.00 45.44 H new ATOM 508 N ARG A 37 -2.717 8.613 -31.594 1.00 24.43 N ATOM 509 CA ARG A 37 -1.334 8.690 -32.049 1.00 40.45 C ATOM 510 C ARG A 37 -0.371 8.300 -30.932 1.00 64.35 C ATOM 511 O ARG A 37 0.765 7.903 -31.191 1.00 4.41 O ATOM 512 CB ARG A 37 -1.015 10.103 -32.541 1.00 54.53 C ATOM 513 CG ARG A 37 0.371 10.239 -33.149 1.00 60.44 C ATOM 514 CD ARG A 37 0.397 11.287 -34.250 1.00 53.42 C ATOM 515 NE ARG A 37 -0.368 10.870 -35.422 1.00 72.21 N ATOM 516 CZ ARG A 37 0.073 9.987 -36.311 1.00 42.35 C ATOM 517 NH1 ARG A 37 1.268 9.432 -36.163 1.00 10.12 N ATOM 518 NH2 ARG A 37 -0.681 9.658 -37.352 1.00 55.11 N ATOM 0 H ARG A 37 -3.080 9.480 -31.197 1.00 24.43 H new ATOM 0 HA ARG A 37 -1.210 7.988 -32.874 1.00 40.45 H new ATOM 0 HB2 ARG A 37 -1.758 10.396 -33.283 1.00 54.53 H new ATOM 0 HB3 ARG A 37 -1.106 10.798 -31.706 1.00 54.53 H new ATOM 0 HG2 ARG A 37 1.085 10.509 -32.371 1.00 60.44 H new ATOM 0 HG3 ARG A 37 0.688 9.278 -33.553 1.00 60.44 H new ATOM 0 HD2 ARG A 37 -0.008 12.224 -33.868 1.00 53.42 H new ATOM 0 HD3 ARG A 37 1.429 11.481 -34.541 1.00 53.42 H new ATOM 0 HE ARG A 37 -1.291 11.279 -35.566 1.00 72.21 H new ATOM 0 HH11 ARG A 37 1.851 9.683 -35.365 1.00 10.12 H new ATOM 0 HH12 ARG A 37 1.604 8.754 -36.847 1.00 10.12 H new ATOM 0 HH21 ARG A 37 -1.601 10.083 -37.470 1.00 55.11 H new ATOM 0 HH22 ARG A 37 -0.341 8.980 -38.034 1.00 55.11 H new ATOM 532 N GLN A 38 -0.833 8.415 -29.692 1.00 11.32 N ATOM 533 CA GLN A 38 -0.012 8.075 -28.536 1.00 44.41 C ATOM 534 C GLN A 38 0.140 6.564 -28.401 1.00 73.24 C ATOM 535 O GLN A 38 1.077 6.079 -27.769 1.00 31.23 O ATOM 536 CB GLN A 38 -0.625 8.654 -27.260 1.00 1.21 C ATOM 537 CG GLN A 38 0.143 8.293 -25.998 1.00 55.52 C ATOM 538 CD GLN A 38 0.100 9.393 -24.955 1.00 30.50 C ATOM 539 OE1 GLN A 38 -0.593 9.278 -23.944 1.00 33.02 O ATOM 540 NE2 GLN A 38 0.843 10.466 -25.195 1.00 44.32 N ATOM 0 H GLN A 38 -1.772 8.741 -29.462 1.00 11.32 H new ATOM 0 HA GLN A 38 0.977 8.509 -28.685 1.00 44.41 H new ATOM 0 HB2 GLN A 38 -0.671 9.739 -27.349 1.00 1.21 H new ATOM 0 HB3 GLN A 38 -1.651 8.298 -27.166 1.00 1.21 H new ATOM 0 HG2 GLN A 38 -0.272 7.379 -25.574 1.00 55.52 H new ATOM 0 HG3 GLN A 38 1.181 8.083 -26.256 1.00 55.52 H new ATOM 0 HE21 GLN A 38 1.402 10.519 -26.046 1.00 44.32 H new ATOM 0 HE22 GLN A 38 0.855 11.238 -24.528 1.00 44.32 H new ATOM 549 N GLU A 39 -0.789 5.825 -29.000 1.00 54.34 N ATOM 550 CA GLU A 39 -0.759 4.368 -28.945 1.00 42.45 C ATOM 551 C GLU A 39 0.569 3.832 -29.472 1.00 61.22 C ATOM 552 O GLU A 39 0.982 2.723 -29.132 1.00 14.04 O ATOM 553 CB GLU A 39 -1.916 3.781 -29.756 1.00 32.03 C ATOM 554 CG GLU A 39 -3.259 4.423 -29.452 1.00 35.34 C ATOM 555 CD GLU A 39 -4.428 3.597 -29.955 1.00 3.31 C ATOM 556 OE1 GLU A 39 -5.344 3.317 -29.154 1.00 12.31 O ATOM 557 OE2 GLU A 39 -4.426 3.231 -31.149 1.00 4.23 O ATOM 0 H GLU A 39 -1.571 6.211 -29.529 1.00 54.34 H new ATOM 0 HA GLU A 39 -0.866 4.067 -27.903 1.00 42.45 H new ATOM 0 HB2 GLU A 39 -1.700 3.896 -30.818 1.00 32.03 H new ATOM 0 HB3 GLU A 39 -1.981 2.711 -29.558 1.00 32.03 H new ATOM 0 HG2 GLU A 39 -3.355 4.564 -28.375 1.00 35.34 H new ATOM 0 HG3 GLU A 39 -3.296 5.413 -29.907 1.00 35.34 H new ATOM 564 N ARG A 40 1.233 4.627 -30.305 1.00 60.52 N ATOM 565 CA ARG A 40 2.513 4.232 -30.881 1.00 31.41 C ATOM 566 C ARG A 40 3.664 4.593 -29.946 1.00 71.15 C ATOM 567 O ARG A 40 4.701 3.931 -29.940 1.00 43.33 O ATOM 568 CB ARG A 40 2.715 4.905 -32.240 1.00 34.43 C ATOM 569 CG ARG A 40 4.008 4.506 -32.931 1.00 4.23 C ATOM 570 CD ARG A 40 4.148 2.995 -33.024 1.00 31.25 C ATOM 571 NE ARG A 40 5.340 2.600 -33.769 1.00 23.14 N ATOM 572 CZ ARG A 40 5.567 1.360 -34.188 1.00 45.34 C ATOM 573 NH1 ARG A 40 4.688 0.400 -33.938 1.00 11.30 N ATOM 574 NH2 ARG A 40 6.676 1.079 -34.861 1.00 23.02 N ATOM 0 H ARG A 40 0.906 5.548 -30.596 1.00 60.52 H new ATOM 0 HA ARG A 40 2.503 3.151 -31.017 1.00 31.41 H new ATOM 0 HB2 ARG A 40 1.875 4.655 -32.888 1.00 34.43 H new ATOM 0 HB3 ARG A 40 2.704 5.987 -32.106 1.00 34.43 H new ATOM 0 HG2 ARG A 40 4.035 4.937 -33.932 1.00 4.23 H new ATOM 0 HG3 ARG A 40 4.856 4.918 -32.384 1.00 4.23 H new ATOM 0 HD2 ARG A 40 4.192 2.573 -32.020 1.00 31.25 H new ATOM 0 HD3 ARG A 40 3.264 2.578 -33.507 1.00 31.25 H new ATOM 0 HE ARG A 40 6.036 3.315 -33.979 1.00 23.14 H new ATOM 0 HH11 ARG A 40 3.834 0.612 -33.422 1.00 11.30 H new ATOM 0 HH12 ARG A 40 4.866 -0.551 -34.261 1.00 11.30 H new ATOM 0 HH21 ARG A 40 7.354 1.815 -35.057 1.00 23.02 H new ATOM 0 HH22 ARG A 40 6.850 0.127 -35.183 1.00 23.02 H new ATOM 588 N GLU A 41 3.472 5.647 -29.159 1.00 70.15 N ATOM 589 CA GLU A 41 4.495 6.096 -28.223 1.00 0.25 C ATOM 590 C GLU A 41 4.316 5.431 -26.861 1.00 14.21 C ATOM 591 O GLU A 41 5.144 5.593 -25.964 1.00 1.41 O ATOM 592 CB GLU A 41 4.445 7.618 -28.070 1.00 23.13 C ATOM 593 CG GLU A 41 4.642 8.368 -29.377 1.00 21.44 C ATOM 594 CD GLU A 41 5.773 7.798 -30.211 1.00 40.41 C ATOM 595 OE1 GLU A 41 5.578 7.623 -31.432 1.00 43.43 O ATOM 596 OE2 GLU A 41 6.852 7.528 -29.644 1.00 32.23 O ATOM 0 H GLU A 41 2.618 6.205 -29.151 1.00 70.15 H new ATOM 0 HA GLU A 41 5.468 5.810 -28.623 1.00 0.25 H new ATOM 0 HB2 GLU A 41 3.484 7.900 -27.640 1.00 23.13 H new ATOM 0 HB3 GLU A 41 5.214 7.929 -27.363 1.00 23.13 H new ATOM 0 HG2 GLU A 41 3.718 8.335 -29.954 1.00 21.44 H new ATOM 0 HG3 GLU A 41 4.846 9.417 -29.163 1.00 21.44 H new ATOM 603 N LEU A 42 3.228 4.683 -26.714 1.00 30.25 N ATOM 604 CA LEU A 42 2.938 3.993 -25.461 1.00 71.34 C ATOM 605 C LEU A 42 4.036 2.988 -25.126 1.00 51.41 C ATOM 606 O LEU A 42 4.132 2.511 -23.995 1.00 61.20 O ATOM 607 CB LEU A 42 1.588 3.279 -25.550 1.00 70.14 C ATOM 608 CG LEU A 42 1.638 1.789 -25.890 1.00 33.34 C ATOM 609 CD1 LEU A 42 1.777 0.958 -24.624 1.00 24.43 C ATOM 610 CD2 LEU A 42 0.395 1.377 -26.666 1.00 25.41 C ATOM 0 H LEU A 42 2.532 4.539 -27.446 1.00 30.25 H new ATOM 0 HA LEU A 42 2.897 4.737 -24.666 1.00 71.34 H new ATOM 0 HB2 LEU A 42 1.074 3.396 -24.596 1.00 70.14 H new ATOM 0 HB3 LEU A 42 0.982 3.783 -26.303 1.00 70.14 H new ATOM 0 HG LEU A 42 2.511 1.608 -26.518 1.00 33.34 H new ATOM 0 HD11 LEU A 42 1.811 -0.100 -24.885 1.00 24.43 H new ATOM 0 HD12 LEU A 42 2.696 1.234 -24.107 1.00 24.43 H new ATOM 0 HD13 LEU A 42 0.924 1.143 -23.972 1.00 24.43 H new ATOM 0 HD21 LEU A 42 0.448 0.314 -26.899 1.00 25.41 H new ATOM 0 HD22 LEU A 42 -0.492 1.573 -26.063 1.00 25.41 H new ATOM 0 HD23 LEU A 42 0.338 1.949 -27.592 1.00 25.41 H new ATOM 622 N THR A 43 4.865 2.673 -26.117 1.00 32.25 N ATOM 623 CA THR A 43 5.957 1.727 -25.927 1.00 31.50 C ATOM 624 C THR A 43 7.149 2.391 -25.248 1.00 51.42 C ATOM 625 O THR A 43 7.548 2.026 -24.142 1.00 75.01 O ATOM 626 CB THR A 43 6.415 1.122 -27.267 1.00 64.15 C ATOM 627 OG1 THR A 43 5.721 1.749 -28.351 1.00 52.40 O ATOM 628 CG2 THR A 43 6.165 -0.378 -27.299 1.00 34.25 C ATOM 0 H THR A 43 4.800 3.059 -27.059 1.00 32.25 H new ATOM 0 HA THR A 43 5.577 0.930 -25.288 1.00 31.50 H new ATOM 0 HB THR A 43 7.486 1.298 -27.371 1.00 64.15 H new ATOM 0 HG1 THR A 43 6.019 1.360 -29.199 1.00 52.40 H new ATOM 0 HG21 THR A 43 6.497 -0.782 -28.256 1.00 34.25 H new ATOM 0 HG22 THR A 43 6.719 -0.856 -26.491 1.00 34.25 H new ATOM 0 HG23 THR A 43 5.100 -0.572 -27.173 1.00 34.25 H new ATOM 636 N PRO A 44 7.733 3.392 -25.924 1.00 1.23 N ATOM 637 CA PRO A 44 8.888 4.130 -25.403 1.00 51.34 C ATOM 638 C PRO A 44 8.524 5.014 -24.215 1.00 73.13 C ATOM 639 O PRO A 44 9.311 5.172 -23.281 1.00 62.33 O ATOM 640 CB PRO A 44 9.326 4.988 -26.593 1.00 60.12 C ATOM 641 CG PRO A 44 8.094 5.153 -27.415 1.00 45.10 C ATOM 642 CD PRO A 44 7.311 3.881 -27.247 1.00 72.21 C ATOM 0 HA PRO A 44 9.665 3.462 -25.032 1.00 51.34 H new ATOM 0 HB2 PRO A 44 9.715 5.952 -26.264 1.00 60.12 H new ATOM 0 HB3 PRO A 44 10.119 4.502 -27.161 1.00 60.12 H new ATOM 0 HG2 PRO A 44 7.515 6.014 -27.082 1.00 45.10 H new ATOM 0 HG3 PRO A 44 8.343 5.322 -28.462 1.00 45.10 H new ATOM 0 HD2 PRO A 44 6.237 4.063 -27.284 1.00 72.21 H new ATOM 0 HD3 PRO A 44 7.540 3.161 -28.033 1.00 72.21 H new ATOM 650 N LEU A 45 7.326 5.588 -24.256 1.00 24.10 N ATOM 651 CA LEU A 45 6.857 6.456 -23.182 1.00 2.15 C ATOM 652 C LEU A 45 6.627 5.661 -21.900 1.00 51.04 C ATOM 653 O LEU A 45 6.686 6.208 -20.799 1.00 22.22 O ATOM 654 CB LEU A 45 5.565 7.162 -23.597 1.00 20.42 C ATOM 655 CG LEU A 45 5.687 8.167 -24.742 1.00 65.03 C ATOM 656 CD1 LEU A 45 4.325 8.745 -25.093 1.00 43.20 C ATOM 657 CD2 LEU A 45 6.662 9.277 -24.376 1.00 12.02 C ATOM 0 H LEU A 45 6.662 5.468 -25.021 1.00 24.10 H new ATOM 0 HA LEU A 45 7.627 7.204 -22.991 1.00 2.15 H new ATOM 0 HB2 LEU A 45 4.836 6.404 -23.882 1.00 20.42 H new ATOM 0 HB3 LEU A 45 5.162 7.680 -22.727 1.00 20.42 H new ATOM 0 HG LEU A 45 6.074 7.646 -25.618 1.00 65.03 H new ATOM 0 HD11 LEU A 45 4.432 9.458 -25.910 1.00 43.20 H new ATOM 0 HD12 LEU A 45 3.656 7.941 -25.399 1.00 43.20 H new ATOM 0 HD13 LEU A 45 3.909 9.251 -24.222 1.00 43.20 H new ATOM 0 HD21 LEU A 45 6.736 9.983 -25.203 1.00 12.02 H new ATOM 0 HD22 LEU A 45 6.305 9.796 -23.486 1.00 12.02 H new ATOM 0 HD23 LEU A 45 7.644 8.848 -24.176 1.00 12.02 H new ATOM 669 N PHE A 46 6.366 4.367 -22.052 1.00 71.11 N ATOM 670 CA PHE A 46 6.128 3.496 -20.907 1.00 70.42 C ATOM 671 C PHE A 46 7.193 2.406 -20.823 1.00 34.24 C ATOM 672 O PHE A 46 7.005 1.391 -20.152 1.00 43.10 O ATOM 673 CB PHE A 46 4.739 2.861 -21.002 1.00 51.12 C ATOM 674 CG PHE A 46 3.630 3.864 -21.146 1.00 2.24 C ATOM 675 CD1 PHE A 46 3.716 5.104 -20.533 1.00 21.23 C ATOM 676 CD2 PHE A 46 2.502 3.567 -21.893 1.00 12.21 C ATOM 677 CE1 PHE A 46 2.698 6.029 -20.663 1.00 12.40 C ATOM 678 CE2 PHE A 46 1.481 4.489 -22.027 1.00 34.20 C ATOM 679 CZ PHE A 46 1.578 5.721 -21.410 1.00 61.13 C ATOM 0 H PHE A 46 6.314 3.898 -22.957 1.00 71.11 H new ATOM 0 HA PHE A 46 6.181 4.103 -20.003 1.00 70.42 H new ATOM 0 HB2 PHE A 46 4.716 2.181 -21.854 1.00 51.12 H new ATOM 0 HB3 PHE A 46 4.561 2.260 -20.110 1.00 51.12 H new ATOM 0 HD1 PHE A 46 4.589 5.350 -19.947 1.00 21.23 H new ATOM 0 HD2 PHE A 46 2.419 2.605 -22.376 1.00 12.21 H new ATOM 0 HE1 PHE A 46 2.778 6.992 -20.181 1.00 12.40 H new ATOM 0 HE2 PHE A 46 0.608 4.246 -22.614 1.00 34.20 H new ATOM 0 HZ PHE A 46 0.780 6.442 -21.511 1.00 61.13 H new ATOM 689 N ALA A 47 8.310 2.624 -21.508 1.00 71.14 N ATOM 690 CA ALA A 47 9.405 1.662 -21.510 1.00 41.13 C ATOM 691 C ALA A 47 10.425 1.989 -20.425 1.00 10.51 C ATOM 692 O ALA A 47 11.331 1.201 -20.154 1.00 53.44 O ATOM 693 CB ALA A 47 10.076 1.629 -22.875 1.00 44.43 C ATOM 0 H ALA A 47 8.481 3.459 -22.069 1.00 71.14 H new ATOM 0 HA ALA A 47 8.990 0.677 -21.297 1.00 41.13 H new ATOM 0 HB1 ALA A 47 10.892 0.906 -22.862 1.00 44.43 H new ATOM 0 HB2 ALA A 47 9.347 1.340 -23.632 1.00 44.43 H new ATOM 0 HB3 ALA A 47 10.471 2.617 -23.110 1.00 44.43 H new ATOM 699 N GLN A 48 10.271 3.156 -19.808 1.00 4.54 N ATOM 700 CA GLN A 48 11.181 3.588 -18.753 1.00 31.55 C ATOM 701 C GLN A 48 11.225 2.566 -17.621 1.00 14.34 C ATOM 702 O GLN A 48 10.287 1.797 -17.409 1.00 71.03 O ATOM 703 CB GLN A 48 10.754 4.952 -18.208 1.00 60.21 C ATOM 704 CG GLN A 48 11.063 6.106 -19.148 1.00 63.22 C ATOM 705 CD GLN A 48 12.551 6.292 -19.373 1.00 52.44 C ATOM 706 OE1 GLN A 48 13.319 6.452 -18.424 1.00 51.33 O ATOM 707 NE2 GLN A 48 12.966 6.273 -20.635 1.00 31.14 N ATOM 0 H GLN A 48 9.525 3.819 -20.020 1.00 4.54 H new ATOM 0 HA GLN A 48 12.180 3.673 -19.181 1.00 31.55 H new ATOM 0 HB2 GLN A 48 9.683 4.935 -18.007 1.00 60.21 H new ATOM 0 HB3 GLN A 48 11.254 5.126 -17.255 1.00 60.21 H new ATOM 0 HG2 GLN A 48 10.574 5.931 -20.106 1.00 63.22 H new ATOM 0 HG3 GLN A 48 10.643 7.025 -18.739 1.00 63.22 H new ATOM 0 HE21 GLN A 48 12.294 6.137 -21.391 1.00 31.14 H new ATOM 0 HE22 GLN A 48 13.956 6.394 -20.848 1.00 31.14 H new ATOM 716 N PRO A 49 12.339 2.557 -16.874 1.00 62.55 N ATOM 717 CA PRO A 49 12.532 1.635 -15.751 1.00 72.53 C ATOM 718 C PRO A 49 11.626 1.963 -14.569 1.00 40.35 C ATOM 719 O PRO A 49 11.276 1.086 -13.781 1.00 22.04 O ATOM 720 CB PRO A 49 14.001 1.839 -15.372 1.00 53.14 C ATOM 721 CG PRO A 49 14.322 3.219 -15.833 1.00 61.11 C ATOM 722 CD PRO A 49 13.497 3.445 -17.070 1.00 11.34 C ATOM 0 HA PRO A 49 12.286 0.608 -16.021 1.00 72.53 H new ATOM 0 HB2 PRO A 49 14.151 1.736 -14.297 1.00 53.14 H new ATOM 0 HB3 PRO A 49 14.641 1.101 -15.856 1.00 53.14 H new ATOM 0 HG2 PRO A 49 14.081 3.953 -15.064 1.00 61.11 H new ATOM 0 HG3 PRO A 49 15.385 3.321 -16.049 1.00 61.11 H new ATOM 0 HD2 PRO A 49 13.193 4.487 -17.165 1.00 11.34 H new ATOM 0 HD3 PRO A 49 14.050 3.191 -17.974 1.00 11.34 H new ATOM 730 N ALA A 50 11.249 3.233 -14.454 1.00 25.44 N ATOM 731 CA ALA A 50 10.382 3.676 -13.369 1.00 42.23 C ATOM 732 C ALA A 50 8.912 3.513 -13.740 1.00 62.13 C ATOM 733 O ALA A 50 8.025 3.857 -12.960 1.00 74.43 O ATOM 734 CB ALA A 50 10.681 5.125 -13.014 1.00 0.04 C ATOM 0 H ALA A 50 11.530 3.972 -15.098 1.00 25.44 H new ATOM 0 HA ALA A 50 10.581 3.051 -12.499 1.00 42.23 H new ATOM 0 HB1 ALA A 50 10.027 5.443 -12.202 1.00 0.04 H new ATOM 0 HB2 ALA A 50 11.720 5.215 -12.699 1.00 0.04 H new ATOM 0 HB3 ALA A 50 10.510 5.756 -13.886 1.00 0.04 H new ATOM 740 N GLN A 51 8.663 2.987 -14.935 1.00 41.45 N ATOM 741 CA GLN A 51 7.300 2.780 -15.409 1.00 52.53 C ATOM 742 C GLN A 51 6.600 1.696 -14.597 1.00 14.33 C ATOM 743 O GLN A 51 5.383 1.531 -14.682 1.00 54.33 O ATOM 744 CB GLN A 51 7.304 2.401 -16.891 1.00 65.11 C ATOM 745 CG GLN A 51 5.914 2.198 -17.472 1.00 2.04 C ATOM 746 CD GLN A 51 5.474 0.748 -17.439 1.00 31.24 C ATOM 747 OE1 GLN A 51 4.400 0.425 -16.931 1.00 33.50 O ATOM 748 NE2 GLN A 51 6.304 -0.136 -17.981 1.00 54.45 N ATOM 0 H GLN A 51 9.387 2.697 -15.592 1.00 41.45 H new ATOM 0 HA GLN A 51 6.753 3.714 -15.282 1.00 52.53 H new ATOM 0 HB2 GLN A 51 7.814 3.182 -17.455 1.00 65.11 H new ATOM 0 HB3 GLN A 51 7.880 1.485 -17.021 1.00 65.11 H new ATOM 0 HG2 GLN A 51 5.199 2.803 -16.914 1.00 2.04 H new ATOM 0 HG3 GLN A 51 5.899 2.555 -18.502 1.00 2.04 H new ATOM 0 HE21 GLN A 51 7.184 0.176 -18.391 1.00 54.45 H new ATOM 0 HE22 GLN A 51 6.061 -1.127 -17.987 1.00 54.45 H new ATOM 757 N ARG A 52 7.376 0.960 -13.809 1.00 63.42 N ATOM 758 CA ARG A 52 6.831 -0.110 -12.982 1.00 74.14 C ATOM 759 C ARG A 52 6.260 0.446 -11.681 1.00 21.11 C ATOM 760 O ARG A 52 5.397 -0.171 -11.057 1.00 13.25 O ATOM 761 CB ARG A 52 7.911 -1.148 -12.676 1.00 25.35 C ATOM 762 CG ARG A 52 8.765 -0.800 -11.467 1.00 31.10 C ATOM 763 CD ARG A 52 8.218 -1.434 -10.197 1.00 53.54 C ATOM 764 NE ARG A 52 8.981 -2.614 -9.802 1.00 1.02 N ATOM 765 CZ ARG A 52 8.785 -3.268 -8.663 1.00 33.44 C ATOM 766 NH1 ARG A 52 7.854 -2.860 -7.811 1.00 50.34 N ATOM 767 NH2 ARG A 52 9.520 -4.334 -8.373 1.00 71.42 N ATOM 0 H ARG A 52 8.385 1.085 -13.726 1.00 63.42 H new ATOM 0 HA ARG A 52 6.024 -0.589 -13.537 1.00 74.14 H new ATOM 0 HB2 ARG A 52 7.437 -2.115 -12.509 1.00 25.35 H new ATOM 0 HB3 ARG A 52 8.557 -1.256 -13.547 1.00 25.35 H new ATOM 0 HG2 ARG A 52 9.788 -1.139 -11.633 1.00 31.10 H new ATOM 0 HG3 ARG A 52 8.804 0.283 -11.347 1.00 31.10 H new ATOM 0 HD2 ARG A 52 8.238 -0.702 -9.389 1.00 53.54 H new ATOM 0 HD3 ARG A 52 7.175 -1.711 -10.350 1.00 53.54 H new ATOM 0 HE ARG A 52 9.704 -2.955 -10.435 1.00 1.02 H new ATOM 0 HH11 ARG A 52 7.286 -2.042 -8.030 1.00 50.34 H new ATOM 0 HH12 ARG A 52 7.706 -3.365 -6.937 1.00 50.34 H new ATOM 0 HH21 ARG A 52 10.237 -4.652 -9.025 1.00 71.42 H new ATOM 0 HH22 ARG A 52 9.368 -4.835 -7.498 1.00 71.42 H new ATOM 781 N ASP A 53 6.749 1.614 -11.278 1.00 71.51 N ATOM 782 CA ASP A 53 6.288 2.253 -10.051 1.00 53.24 C ATOM 783 C ASP A 53 5.577 3.568 -10.358 1.00 64.10 C ATOM 784 O ASP A 53 5.090 4.248 -9.454 1.00 42.31 O ATOM 785 CB ASP A 53 7.465 2.503 -9.108 1.00 0.34 C ATOM 786 CG ASP A 53 7.034 3.135 -7.799 1.00 13.22 C ATOM 787 OD1 ASP A 53 7.473 4.269 -7.514 1.00 4.04 O ATOM 788 OD2 ASP A 53 6.256 2.496 -7.060 1.00 11.40 O ATOM 0 H ASP A 53 7.464 2.137 -11.783 1.00 71.51 H new ATOM 0 HA ASP A 53 5.580 1.582 -9.565 1.00 53.24 H new ATOM 0 HB2 ASP A 53 7.970 1.559 -8.903 1.00 0.34 H new ATOM 0 HB3 ASP A 53 8.190 3.152 -9.600 1.00 0.34 H new ATOM 793 N LEU A 54 5.523 3.920 -11.638 1.00 10.54 N ATOM 794 CA LEU A 54 4.873 5.155 -12.064 1.00 70.12 C ATOM 795 C LEU A 54 3.393 4.921 -12.348 1.00 73.23 C ATOM 796 O LEU A 54 3.036 4.213 -13.290 1.00 53.12 O ATOM 797 CB LEU A 54 5.561 5.712 -13.311 1.00 44.42 C ATOM 798 CG LEU A 54 6.463 6.928 -13.093 1.00 53.24 C ATOM 799 CD1 LEU A 54 7.484 6.647 -12.003 1.00 23.24 C ATOM 800 CD2 LEU A 54 7.158 7.316 -14.390 1.00 52.04 C ATOM 0 H LEU A 54 5.921 3.369 -12.398 1.00 10.54 H new ATOM 0 HA LEU A 54 4.959 5.880 -11.255 1.00 70.12 H new ATOM 0 HB2 LEU A 54 6.158 4.917 -13.758 1.00 44.42 H new ATOM 0 HB3 LEU A 54 4.793 5.980 -14.036 1.00 44.42 H new ATOM 0 HG LEU A 54 5.841 7.764 -12.773 1.00 53.24 H new ATOM 0 HD11 LEU A 54 8.117 7.523 -11.862 1.00 23.24 H new ATOM 0 HD12 LEU A 54 6.967 6.419 -11.071 1.00 23.24 H new ATOM 0 HD13 LEU A 54 8.101 5.797 -12.293 1.00 23.24 H new ATOM 0 HD21 LEU A 54 7.795 8.183 -14.216 1.00 52.04 H new ATOM 0 HD22 LEU A 54 7.767 6.482 -14.740 1.00 52.04 H new ATOM 0 HD23 LEU A 54 6.410 7.561 -15.144 1.00 52.04 H new ATOM 812 N ARG A 55 2.536 5.521 -11.529 1.00 0.51 N ATOM 813 CA ARG A 55 1.094 5.379 -11.693 1.00 4.23 C ATOM 814 C ARG A 55 0.627 6.038 -12.987 1.00 53.21 C ATOM 815 O ARG A 55 1.420 6.636 -13.714 1.00 3.54 O ATOM 816 CB ARG A 55 0.361 5.996 -10.500 1.00 72.52 C ATOM 817 CG ARG A 55 -0.042 4.981 -9.443 1.00 14.04 C ATOM 818 CD ARG A 55 0.762 5.159 -8.164 1.00 40.15 C ATOM 819 NE ARG A 55 0.035 5.935 -7.163 1.00 75.54 N ATOM 820 CZ ARG A 55 0.313 5.904 -5.865 1.00 22.20 C ATOM 821 NH1 ARG A 55 1.299 5.141 -5.413 1.00 34.51 N ATOM 822 NH2 ARG A 55 -0.394 6.638 -5.016 1.00 11.22 N ATOM 0 H ARG A 55 2.815 6.110 -10.745 1.00 0.51 H new ATOM 0 HA ARG A 55 0.862 4.315 -11.743 1.00 4.23 H new ATOM 0 HB2 ARG A 55 1.000 6.751 -10.042 1.00 72.52 H new ATOM 0 HB3 ARG A 55 -0.531 6.509 -10.858 1.00 72.52 H new ATOM 0 HG2 ARG A 55 -1.105 5.085 -9.223 1.00 14.04 H new ATOM 0 HG3 ARG A 55 0.106 3.973 -9.830 1.00 14.04 H new ATOM 0 HD2 ARG A 55 1.011 4.180 -7.753 1.00 40.15 H new ATOM 0 HD3 ARG A 55 1.704 5.657 -8.394 1.00 40.15 H new ATOM 0 HE ARG A 55 -0.728 6.534 -7.478 1.00 75.54 H new ATOM 0 HH11 ARG A 55 1.846 4.576 -6.063 1.00 34.51 H new ATOM 0 HH12 ARG A 55 1.511 5.119 -4.415 1.00 34.51 H new ATOM 0 HH21 ARG A 55 -1.152 7.227 -5.360 1.00 11.22 H new ATOM 0 HH22 ARG A 55 -0.179 6.613 -4.019 1.00 11.22 H new ATOM 836 N VAL A 56 -0.667 5.923 -13.270 1.00 12.54 N ATOM 837 CA VAL A 56 -1.241 6.508 -14.476 1.00 11.23 C ATOM 838 C VAL A 56 -2.734 6.764 -14.305 1.00 74.04 C ATOM 839 O VAL A 56 -3.509 5.840 -14.058 1.00 73.34 O ATOM 840 CB VAL A 56 -1.024 5.598 -15.699 1.00 24.10 C ATOM 841 CG1 VAL A 56 -1.533 4.193 -15.417 1.00 32.13 C ATOM 842 CG2 VAL A 56 -1.704 6.184 -16.927 1.00 13.34 C ATOM 0 H VAL A 56 -1.337 5.430 -12.680 1.00 12.54 H new ATOM 0 HA VAL A 56 -0.729 7.456 -14.643 1.00 11.23 H new ATOM 0 HB VAL A 56 0.046 5.537 -15.899 1.00 24.10 H new ATOM 0 HG11 VAL A 56 -1.371 3.565 -16.293 1.00 32.13 H new ATOM 0 HG12 VAL A 56 -0.995 3.775 -14.566 1.00 32.13 H new ATOM 0 HG13 VAL A 56 -2.598 4.231 -15.190 1.00 32.13 H new ATOM 0 HG21 VAL A 56 -1.540 5.528 -17.782 1.00 13.34 H new ATOM 0 HG22 VAL A 56 -2.774 6.277 -16.741 1.00 13.34 H new ATOM 0 HG23 VAL A 56 -1.286 7.168 -17.140 1.00 13.34 H new ATOM 852 N PHE A 57 -3.132 8.025 -14.440 1.00 32.23 N ATOM 853 CA PHE A 57 -4.534 8.403 -14.300 1.00 45.33 C ATOM 854 C PHE A 57 -5.100 8.892 -15.630 1.00 43.32 C ATOM 855 O PHE A 57 -4.544 9.791 -16.262 1.00 62.34 O ATOM 856 CB PHE A 57 -4.686 9.493 -13.237 1.00 32.43 C ATOM 857 CG PHE A 57 -5.979 10.251 -13.337 1.00 2.13 C ATOM 858 CD1 PHE A 57 -5.980 11.613 -13.589 1.00 12.50 C ATOM 859 CD2 PHE A 57 -7.192 9.602 -13.178 1.00 34.30 C ATOM 860 CE1 PHE A 57 -7.168 12.314 -13.682 1.00 41.40 C ATOM 861 CE2 PHE A 57 -8.383 10.297 -13.270 1.00 51.24 C ATOM 862 CZ PHE A 57 -8.371 11.655 -13.521 1.00 41.44 C ATOM 0 H PHE A 57 -2.504 8.802 -14.646 1.00 32.23 H new ATOM 0 HA PHE A 57 -5.094 7.521 -13.989 1.00 45.33 H new ATOM 0 HB2 PHE A 57 -4.616 9.038 -12.249 1.00 32.43 H new ATOM 0 HB3 PHE A 57 -3.856 10.194 -13.325 1.00 32.43 H new ATOM 0 HD1 PHE A 57 -5.042 12.133 -13.714 1.00 12.50 H new ATOM 0 HD2 PHE A 57 -7.207 8.540 -12.980 1.00 34.30 H new ATOM 0 HE1 PHE A 57 -7.155 13.376 -13.880 1.00 41.40 H new ATOM 0 HE2 PHE A 57 -9.322 9.779 -13.146 1.00 51.24 H new ATOM 0 HZ PHE A 57 -9.300 12.201 -13.591 1.00 41.44 H new ATOM 872 N LYS A 58 -6.209 8.294 -16.050 1.00 34.13 N ATOM 873 CA LYS A 58 -6.853 8.667 -17.304 1.00 33.04 C ATOM 874 C LYS A 58 -7.967 9.681 -17.063 1.00 3.33 C ATOM 875 O LYS A 58 -8.876 9.443 -16.268 1.00 73.22 O ATOM 876 CB LYS A 58 -7.420 7.427 -17.998 1.00 72.23 C ATOM 877 CG LYS A 58 -7.494 7.557 -19.510 1.00 34.12 C ATOM 878 CD LYS A 58 -7.256 6.223 -20.197 1.00 21.34 C ATOM 879 CE LYS A 58 -8.556 5.613 -20.698 1.00 14.35 C ATOM 880 NZ LYS A 58 -9.309 4.937 -19.605 1.00 11.11 N ATOM 0 H LYS A 58 -6.681 7.548 -15.540 1.00 34.13 H new ATOM 0 HA LYS A 58 -6.102 9.125 -17.947 1.00 33.04 H new ATOM 0 HB2 LYS A 58 -6.802 6.565 -17.746 1.00 72.23 H new ATOM 0 HB3 LYS A 58 -8.419 7.228 -17.609 1.00 72.23 H new ATOM 0 HG2 LYS A 58 -8.472 7.945 -19.795 1.00 34.12 H new ATOM 0 HG3 LYS A 58 -6.753 8.280 -19.851 1.00 34.12 H new ATOM 0 HD2 LYS A 58 -6.572 6.361 -21.034 1.00 21.34 H new ATOM 0 HD3 LYS A 58 -6.775 5.535 -19.502 1.00 21.34 H new ATOM 0 HE2 LYS A 58 -9.177 6.393 -21.138 1.00 14.35 H new ATOM 0 HE3 LYS A 58 -8.339 4.894 -21.488 1.00 14.35 H new ATOM 0 HZ1 LYS A 58 -9.475 3.943 -19.861 1.00 11.11 H new ATOM 0 HZ2 LYS A 58 -8.757 4.981 -18.725 1.00 11.11 H new ATOM 0 HZ3 LYS A 58 -10.222 5.415 -19.465 1.00 11.11 H new ATOM 894 N VAL A 59 -7.890 10.814 -17.755 1.00 25.42 N ATOM 895 CA VAL A 59 -8.892 11.863 -17.618 1.00 13.21 C ATOM 896 C VAL A 59 -9.553 12.170 -18.957 1.00 42.22 C ATOM 897 O VAL A 59 -8.911 12.678 -19.875 1.00 43.33 O ATOM 898 CB VAL A 59 -8.277 13.157 -17.053 1.00 1.12 C ATOM 899 CG1 VAL A 59 -6.965 13.476 -17.754 1.00 74.54 C ATOM 900 CG2 VAL A 59 -9.256 14.314 -17.184 1.00 60.14 C ATOM 0 H VAL A 59 -7.143 11.028 -18.416 1.00 25.42 H new ATOM 0 HA VAL A 59 -9.644 11.493 -16.921 1.00 13.21 H new ATOM 0 HB VAL A 59 -8.068 13.006 -15.994 1.00 1.12 H new ATOM 0 HG11 VAL A 59 -6.546 14.394 -17.341 1.00 74.54 H new ATOM 0 HG12 VAL A 59 -6.263 12.656 -17.603 1.00 74.54 H new ATOM 0 HG13 VAL A 59 -7.145 13.607 -18.821 1.00 74.54 H new ATOM 0 HG21 VAL A 59 -8.805 15.220 -16.780 1.00 60.14 H new ATOM 0 HG22 VAL A 59 -9.499 14.468 -18.235 1.00 60.14 H new ATOM 0 HG23 VAL A 59 -10.167 14.084 -16.631 1.00 60.14 H new ATOM 910 N ASN A 60 -10.841 11.858 -19.061 1.00 4.40 N ATOM 911 CA ASN A 60 -11.589 12.101 -20.289 1.00 12.12 C ATOM 912 C ASN A 60 -12.235 13.483 -20.268 1.00 12.10 C ATOM 913 O ASN A 60 -12.536 14.024 -19.203 1.00 70.45 O ATOM 914 CB ASN A 60 -12.662 11.027 -20.477 1.00 74.12 C ATOM 915 CG ASN A 60 -13.079 10.874 -21.927 1.00 62.33 C ATOM 916 OD1 ASN A 60 -12.676 11.658 -22.787 1.00 30.04 O ATOM 917 ND2 ASN A 60 -13.890 9.860 -22.206 1.00 22.31 N ATOM 0 H ASN A 60 -11.388 11.437 -18.310 1.00 4.40 H new ATOM 0 HA ASN A 60 -10.891 12.059 -21.125 1.00 12.12 H new ATOM 0 HB2 ASN A 60 -12.286 10.073 -20.107 1.00 74.12 H new ATOM 0 HB3 ASN A 60 -13.535 11.280 -19.875 1.00 74.12 H new ATOM 0 HD21 ASN A 60 -14.204 9.707 -23.164 1.00 22.31 H new ATOM 0 HD22 ASN A 60 -14.199 9.235 -21.462 1.00 22.31 H new ATOM 924 N PHE A 61 -12.446 14.049 -21.451 1.00 53.45 N ATOM 925 CA PHE A 61 -13.056 15.369 -21.570 1.00 34.42 C ATOM 926 C PHE A 61 -14.493 15.352 -21.055 1.00 63.30 C ATOM 927 O PHE A 61 -15.113 16.401 -20.879 1.00 22.30 O ATOM 928 CB PHE A 61 -13.030 15.837 -23.026 1.00 51.31 C ATOM 929 CG PHE A 61 -14.092 15.205 -23.879 1.00 34.43 C ATOM 930 CD1 PHE A 61 -15.280 15.870 -24.136 1.00 73.21 C ATOM 931 CD2 PHE A 61 -13.903 13.944 -24.422 1.00 54.25 C ATOM 932 CE1 PHE A 61 -16.260 15.291 -24.921 1.00 22.54 C ATOM 933 CE2 PHE A 61 -14.879 13.360 -25.208 1.00 51.20 C ATOM 934 CZ PHE A 61 -16.059 14.034 -25.456 1.00 72.44 C ATOM 0 H PHE A 61 -12.204 13.615 -22.342 1.00 53.45 H new ATOM 0 HA PHE A 61 -12.478 16.065 -20.962 1.00 34.42 H new ATOM 0 HB2 PHE A 61 -13.151 16.920 -23.053 1.00 51.31 H new ATOM 0 HB3 PHE A 61 -12.052 15.614 -23.453 1.00 51.31 H new ATOM 0 HD1 PHE A 61 -15.443 16.853 -23.718 1.00 73.21 H new ATOM 0 HD2 PHE A 61 -12.983 13.412 -24.229 1.00 54.25 H new ATOM 0 HE1 PHE A 61 -17.181 15.821 -25.115 1.00 22.54 H new ATOM 0 HE2 PHE A 61 -14.719 12.378 -25.628 1.00 51.20 H new ATOM 0 HZ PHE A 61 -16.824 13.578 -26.068 1.00 72.44 H new ATOM 944 N ASP A 62 -15.015 14.154 -20.816 1.00 71.14 N ATOM 945 CA ASP A 62 -16.378 13.999 -20.321 1.00 71.15 C ATOM 946 C ASP A 62 -16.416 14.082 -18.799 1.00 21.33 C ATOM 947 O ASP A 62 -17.480 14.244 -18.201 1.00 32.04 O ATOM 948 CB ASP A 62 -16.964 12.665 -20.787 1.00 22.12 C ATOM 949 CG ASP A 62 -16.836 12.467 -22.285 1.00 11.45 C ATOM 950 OD1 ASP A 62 -15.760 12.021 -22.735 1.00 10.01 O ATOM 951 OD2 ASP A 62 -17.813 12.759 -23.006 1.00 65.52 O ATOM 0 H ASP A 62 -14.515 13.276 -20.957 1.00 71.14 H new ATOM 0 HA ASP A 62 -16.980 14.812 -20.726 1.00 71.15 H new ATOM 0 HB2 ASP A 62 -16.457 11.849 -20.271 1.00 22.12 H new ATOM 0 HB3 ASP A 62 -18.016 12.616 -20.506 1.00 22.12 H new ATOM 956 N THR A 63 -15.247 13.968 -18.176 1.00 0.14 N ATOM 957 CA THR A 63 -15.146 14.028 -16.723 1.00 33.31 C ATOM 958 C THR A 63 -14.451 15.307 -16.272 1.00 1.10 C ATOM 959 O THR A 63 -14.660 15.776 -15.153 1.00 65.33 O ATOM 960 CB THR A 63 -14.379 12.815 -16.163 1.00 11.13 C ATOM 961 OG1 THR A 63 -14.834 11.613 -16.794 1.00 14.12 O ATOM 962 CG2 THR A 63 -14.566 12.705 -14.657 1.00 3.31 C ATOM 0 H THR A 63 -14.357 13.834 -18.655 1.00 0.14 H new ATOM 0 HA THR A 63 -16.164 14.016 -16.335 1.00 33.31 H new ATOM 0 HB THR A 63 -13.319 12.956 -16.373 1.00 11.13 H new ATOM 0 HG1 THR A 63 -15.465 11.152 -16.203 1.00 14.12 H new ATOM 0 HG21 THR A 63 -14.015 11.841 -14.284 1.00 3.31 H new ATOM 0 HG22 THR A 63 -14.192 13.609 -14.177 1.00 3.31 H new ATOM 0 HG23 THR A 63 -15.625 12.586 -14.430 1.00 3.31 H new ATOM 970 N GLN A 64 -13.625 15.867 -17.150 1.00 0.12 N ATOM 971 CA GLN A 64 -12.899 17.093 -16.840 1.00 51.34 C ATOM 972 C GLN A 64 -13.496 18.282 -17.587 1.00 3.15 C ATOM 973 O GLN A 64 -12.843 19.312 -17.759 1.00 61.44 O ATOM 974 CB GLN A 64 -11.420 16.940 -17.200 1.00 53.13 C ATOM 975 CG GLN A 64 -11.177 16.690 -18.680 1.00 0.31 C ATOM 976 CD GLN A 64 -10.028 17.512 -19.229 1.00 43.33 C ATOM 977 OE1 GLN A 64 -10.137 18.119 -20.295 1.00 53.31 O ATOM 978 NE2 GLN A 64 -8.916 17.537 -18.503 1.00 35.52 N ATOM 0 H GLN A 64 -13.442 15.492 -18.081 1.00 0.12 H new ATOM 0 HA GLN A 64 -12.988 17.277 -15.769 1.00 51.34 H new ATOM 0 HB2 GLN A 64 -10.886 17.842 -16.900 1.00 53.13 H new ATOM 0 HB3 GLN A 64 -10.998 16.114 -16.627 1.00 53.13 H new ATOM 0 HG2 GLN A 64 -10.969 15.632 -18.837 1.00 0.31 H new ATOM 0 HG3 GLN A 64 -12.084 16.922 -19.238 1.00 0.31 H new ATOM 0 HE21 GLN A 64 -8.868 17.020 -17.625 1.00 35.52 H new ATOM 0 HE22 GLN A 64 -8.110 18.074 -18.823 1.00 35.52 H new ATOM 987 N LYS A 65 -14.740 18.133 -18.027 1.00 52.45 N ATOM 988 CA LYS A 65 -15.427 19.194 -18.755 1.00 3.53 C ATOM 989 C LYS A 65 -15.301 20.526 -18.022 1.00 2.15 C ATOM 990 O LYS A 65 -15.246 21.586 -18.645 1.00 34.21 O ATOM 991 CB LYS A 65 -16.904 18.840 -18.941 1.00 1.33 C ATOM 992 CG LYS A 65 -17.780 20.038 -19.265 1.00 33.30 C ATOM 993 CD LYS A 65 -18.830 19.694 -20.308 1.00 52.12 C ATOM 994 CE LYS A 65 -18.352 20.030 -21.712 1.00 65.24 C ATOM 995 NZ LYS A 65 -19.445 19.904 -22.716 1.00 25.01 N ATOM 0 H LYS A 65 -15.294 17.287 -17.892 1.00 52.45 H new ATOM 0 HA LYS A 65 -14.957 19.292 -19.734 1.00 3.53 H new ATOM 0 HB2 LYS A 65 -16.995 18.106 -19.742 1.00 1.33 H new ATOM 0 HB3 LYS A 65 -17.273 18.366 -18.031 1.00 1.33 H new ATOM 0 HG2 LYS A 65 -18.269 20.389 -18.356 1.00 33.30 H new ATOM 0 HG3 LYS A 65 -17.159 20.857 -19.629 1.00 33.30 H new ATOM 0 HD2 LYS A 65 -19.069 18.632 -20.248 1.00 52.12 H new ATOM 0 HD3 LYS A 65 -19.749 20.240 -20.095 1.00 52.12 H new ATOM 0 HE2 LYS A 65 -17.960 21.047 -21.728 1.00 65.24 H new ATOM 0 HE3 LYS A 65 -17.531 19.367 -21.984 1.00 65.24 H new ATOM 0 HZ1 LYS A 65 -19.078 20.141 -23.660 1.00 25.01 H new ATOM 0 HZ2 LYS A 65 -19.803 18.927 -22.719 1.00 25.01 H new ATOM 0 HZ3 LYS A 65 -20.218 20.555 -22.471 1.00 25.01 H new ATOM 1009 N ALA A 66 -15.254 20.464 -16.695 1.00 24.12 N ATOM 1010 CA ALA A 66 -15.130 21.665 -15.878 1.00 33.54 C ATOM 1011 C ALA A 66 -13.860 22.435 -16.222 1.00 31.10 C ATOM 1012 O ALA A 66 -13.835 23.664 -16.171 1.00 14.22 O ATOM 1013 CB ALA A 66 -15.145 21.301 -14.400 1.00 54.22 C ATOM 0 H ALA A 66 -15.300 19.595 -16.163 1.00 24.12 H new ATOM 0 HA ALA A 66 -15.983 22.309 -16.092 1.00 33.54 H new ATOM 0 HB1 ALA A 66 -15.052 22.207 -13.801 1.00 54.22 H new ATOM 0 HB2 ALA A 66 -16.083 20.801 -14.158 1.00 54.22 H new ATOM 0 HB3 ALA A 66 -14.311 20.634 -14.181 1.00 54.22 H new ATOM 1019 N ALA A 67 -12.807 21.704 -16.572 1.00 62.00 N ATOM 1020 CA ALA A 67 -11.534 22.319 -16.926 1.00 3.21 C ATOM 1021 C ALA A 67 -11.622 23.027 -18.274 1.00 1.03 C ATOM 1022 O ALA A 67 -11.335 24.220 -18.380 1.00 2.21 O ATOM 1023 CB ALA A 67 -10.430 21.272 -16.949 1.00 1.23 C ATOM 0 H ALA A 67 -12.810 20.685 -16.618 1.00 62.00 H new ATOM 0 HA ALA A 67 -11.296 23.065 -16.168 1.00 3.21 H new ATOM 0 HB1 ALA A 67 -9.485 21.746 -17.215 1.00 1.23 H new ATOM 0 HB2 ALA A 67 -10.342 20.814 -15.964 1.00 1.23 H new ATOM 0 HB3 ALA A 67 -10.671 20.505 -17.685 1.00 1.23 H new ATOM 1029 N LEU A 68 -12.020 22.285 -19.301 1.00 43.13 N ATOM 1030 CA LEU A 68 -12.145 22.842 -20.644 1.00 32.02 C ATOM 1031 C LEU A 68 -13.249 23.893 -20.696 1.00 52.24 C ATOM 1032 O LEU A 68 -13.221 24.795 -21.534 1.00 23.34 O ATOM 1033 CB LEU A 68 -12.436 21.730 -21.653 1.00 45.14 C ATOM 1034 CG LEU A 68 -13.471 20.689 -21.226 1.00 54.54 C ATOM 1035 CD1 LEU A 68 -14.878 21.176 -21.541 1.00 25.12 C ATOM 1036 CD2 LEU A 68 -13.201 19.357 -21.909 1.00 20.40 C ATOM 0 H LEU A 68 -12.262 21.297 -19.230 1.00 43.13 H new ATOM 0 HA LEU A 68 -11.200 23.320 -20.902 1.00 32.02 H new ATOM 0 HB2 LEU A 68 -12.774 22.189 -22.582 1.00 45.14 H new ATOM 0 HB3 LEU A 68 -11.502 21.214 -21.874 1.00 45.14 H new ATOM 0 HG LEU A 68 -13.390 20.545 -20.149 1.00 54.54 H new ATOM 0 HD11 LEU A 68 -15.602 20.423 -21.230 1.00 25.12 H new ATOM 0 HD12 LEU A 68 -15.070 22.106 -21.005 1.00 25.12 H new ATOM 0 HD13 LEU A 68 -14.972 21.349 -22.613 1.00 25.12 H new ATOM 0 HD21 LEU A 68 -13.947 18.628 -21.593 1.00 20.40 H new ATOM 0 HD22 LEU A 68 -13.254 19.485 -22.990 1.00 20.40 H new ATOM 0 HD23 LEU A 68 -12.208 19.002 -21.634 1.00 20.40 H new ATOM 1048 N GLN A 69 -14.219 23.771 -19.795 1.00 43.25 N ATOM 1049 CA GLN A 69 -15.331 24.712 -19.739 1.00 11.21 C ATOM 1050 C GLN A 69 -14.953 25.954 -18.938 1.00 75.10 C ATOM 1051 O GLN A 69 -15.534 27.023 -19.123 1.00 72.03 O ATOM 1052 CB GLN A 69 -16.560 24.045 -19.119 1.00 0.02 C ATOM 1053 CG GLN A 69 -17.823 24.886 -19.215 1.00 45.21 C ATOM 1054 CD GLN A 69 -18.510 25.062 -17.876 1.00 33.03 C ATOM 1055 OE1 GLN A 69 -18.072 25.851 -17.038 1.00 65.12 O ATOM 1056 NE2 GLN A 69 -19.595 24.326 -17.666 1.00 34.31 N ATOM 0 H GLN A 69 -14.257 23.030 -19.095 1.00 43.25 H new ATOM 0 HA GLN A 69 -15.568 25.018 -20.758 1.00 11.21 H new ATOM 0 HB2 GLN A 69 -16.732 23.089 -19.613 1.00 0.02 H new ATOM 0 HB3 GLN A 69 -16.356 23.830 -18.070 1.00 0.02 H new ATOM 0 HG2 GLN A 69 -17.572 25.866 -19.622 1.00 45.21 H new ATOM 0 HG3 GLN A 69 -18.515 24.417 -19.915 1.00 45.21 H new ATOM 0 HE21 GLN A 69 -19.924 23.684 -18.388 1.00 34.31 H new ATOM 0 HE22 GLN A 69 -20.100 24.402 -16.783 1.00 34.31 H new ATOM 1065 N GLN A 70 -13.978 25.804 -18.048 1.00 22.00 N ATOM 1066 CA GLN A 70 -13.524 26.914 -17.218 1.00 72.22 C ATOM 1067 C GLN A 70 -12.400 27.683 -17.905 1.00 15.01 C ATOM 1068 O GLN A 70 -12.359 28.913 -17.861 1.00 71.24 O ATOM 1069 CB GLN A 70 -13.050 26.400 -15.858 1.00 5.42 C ATOM 1070 CG GLN A 70 -12.498 27.491 -14.954 1.00 43.45 C ATOM 1071 CD GLN A 70 -13.556 28.493 -14.535 1.00 61.24 C ATOM 1072 OE1 GLN A 70 -14.714 28.136 -14.319 1.00 73.43 O ATOM 1073 NE2 GLN A 70 -13.163 29.756 -14.418 1.00 63.21 N ATOM 0 H GLN A 70 -13.487 24.925 -17.883 1.00 22.00 H new ATOM 0 HA GLN A 70 -14.365 27.592 -17.069 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -13.883 25.909 -15.354 1.00 5.42 H new ATOM 0 HB3 GLN A 70 -12.280 25.644 -16.013 1.00 5.42 H new ATOM 0 HG2 GLN A 70 -12.063 27.035 -14.065 1.00 43.45 H new ATOM 0 HG3 GLN A 70 -11.693 28.013 -15.471 1.00 43.45 H new ATOM 0 HE21 GLN A 70 -12.193 30.008 -14.607 1.00 63.21 H new ATOM 0 HE22 GLN A 70 -13.831 30.474 -14.139 1.00 63.21 H new ATOM 1082 N PHE A 71 -11.490 26.951 -18.538 1.00 71.04 N ATOM 1083 CA PHE A 71 -10.364 27.564 -19.234 1.00 15.45 C ATOM 1084 C PHE A 71 -10.646 27.680 -20.729 1.00 31.23 C ATOM 1085 O PHE A 71 -9.745 27.952 -21.522 1.00 23.12 O ATOM 1086 CB PHE A 71 -9.090 26.749 -19.004 1.00 74.35 C ATOM 1087 CG PHE A 71 -8.346 27.137 -17.759 1.00 30.41 C ATOM 1088 CD1 PHE A 71 -7.496 28.231 -17.756 1.00 61.34 C ATOM 1089 CD2 PHE A 71 -8.496 26.407 -16.591 1.00 30.32 C ATOM 1090 CE1 PHE A 71 -6.810 28.591 -16.612 1.00 23.32 C ATOM 1091 CE2 PHE A 71 -7.813 26.762 -15.443 1.00 42.11 C ATOM 1092 CZ PHE A 71 -6.968 27.855 -15.454 1.00 23.40 C ATOM 0 H PHE A 71 -11.510 25.932 -18.584 1.00 71.04 H new ATOM 0 HA PHE A 71 -10.222 28.567 -18.831 1.00 15.45 H new ATOM 0 HB2 PHE A 71 -9.350 25.692 -18.948 1.00 74.35 H new ATOM 0 HB3 PHE A 71 -8.431 26.870 -19.864 1.00 74.35 H new ATOM 0 HD1 PHE A 71 -7.368 28.810 -18.659 1.00 61.34 H new ATOM 0 HD2 PHE A 71 -9.154 25.551 -16.577 1.00 30.32 H new ATOM 0 HE1 PHE A 71 -6.151 29.447 -16.623 1.00 23.32 H new ATOM 0 HE2 PHE A 71 -7.940 26.186 -14.538 1.00 42.11 H new ATOM 0 HZ PHE A 71 -6.432 28.133 -14.559 1.00 23.40 H new ATOM 1102 N ARG A 72 -11.903 27.470 -21.106 1.00 11.21 N ATOM 1103 CA ARG A 72 -12.304 27.549 -22.505 1.00 71.44 C ATOM 1104 C ARG A 72 -11.289 26.846 -23.402 1.00 3.00 C ATOM 1105 O ARG A 72 -10.854 27.395 -24.414 1.00 51.15 O ATOM 1106 CB ARG A 72 -12.454 29.009 -22.934 1.00 12.41 C ATOM 1107 CG ARG A 72 -11.170 29.814 -22.814 1.00 14.30 C ATOM 1108 CD ARG A 72 -11.305 31.179 -23.470 1.00 54.34 C ATOM 1109 NE ARG A 72 -11.380 32.255 -22.486 1.00 1.24 N ATOM 1110 CZ ARG A 72 -11.295 33.544 -22.797 1.00 61.20 C ATOM 1111 NH1 ARG A 72 -11.134 33.915 -24.060 1.00 23.23 N ATOM 1112 NH2 ARG A 72 -11.372 34.464 -21.844 1.00 44.34 N ATOM 0 H ARG A 72 -12.661 27.244 -20.462 1.00 11.21 H new ATOM 0 HA ARG A 72 -13.266 27.047 -22.610 1.00 71.44 H new ATOM 0 HB2 ARG A 72 -12.798 29.042 -23.968 1.00 12.41 H new ATOM 0 HB3 ARG A 72 -13.226 29.480 -22.326 1.00 12.41 H new ATOM 0 HG2 ARG A 72 -10.914 29.939 -21.762 1.00 14.30 H new ATOM 0 HG3 ARG A 72 -10.351 29.265 -23.278 1.00 14.30 H new ATOM 0 HD2 ARG A 72 -10.454 31.350 -24.129 1.00 54.34 H new ATOM 0 HD3 ARG A 72 -12.199 31.195 -24.093 1.00 54.34 H new ATOM 0 HE ARG A 72 -11.505 32.003 -21.505 1.00 1.24 H new ATOM 0 HH11 ARG A 72 -11.075 33.210 -24.795 1.00 23.23 H new ATOM 0 HH12 ARG A 72 -11.069 34.905 -24.296 1.00 23.23 H new ATOM 0 HH21 ARG A 72 -11.497 34.182 -20.872 1.00 44.34 H new ATOM 0 HH22 ARG A 72 -11.307 35.453 -22.084 1.00 44.34 H new ATOM 1126 N VAL A 73 -10.914 25.628 -23.022 1.00 54.34 N ATOM 1127 CA VAL A 73 -9.951 24.850 -23.792 1.00 2.23 C ATOM 1128 C VAL A 73 -10.646 23.766 -24.607 1.00 71.30 C ATOM 1129 O VAL A 73 -11.872 23.750 -24.721 1.00 23.12 O ATOM 1130 CB VAL A 73 -8.900 24.195 -22.876 1.00 70.52 C ATOM 1131 CG1 VAL A 73 -7.522 24.253 -23.517 1.00 41.32 C ATOM 1132 CG2 VAL A 73 -8.891 24.865 -21.511 1.00 0.12 C ATOM 0 H VAL A 73 -11.263 25.159 -22.186 1.00 54.34 H new ATOM 0 HA VAL A 73 -9.451 25.544 -24.468 1.00 2.23 H new ATOM 0 HB VAL A 73 -9.166 23.147 -22.739 1.00 70.52 H new ATOM 0 HG11 VAL A 73 -6.793 23.786 -22.855 1.00 41.32 H new ATOM 0 HG12 VAL A 73 -7.541 23.722 -24.469 1.00 41.32 H new ATOM 0 HG13 VAL A 73 -7.243 25.293 -23.687 1.00 41.32 H new ATOM 0 HG21 VAL A 73 -8.143 24.389 -20.877 1.00 0.12 H new ATOM 0 HG22 VAL A 73 -8.650 25.922 -21.626 1.00 0.12 H new ATOM 0 HG23 VAL A 73 -9.874 24.765 -21.050 1.00 0.12 H new ATOM 1142 N SER A 74 -9.855 22.860 -25.173 1.00 30.44 N ATOM 1143 CA SER A 74 -10.394 21.772 -25.981 1.00 11.12 C ATOM 1144 C SER A 74 -9.272 20.906 -26.544 1.00 23.42 C ATOM 1145 O SER A 74 -8.921 21.012 -27.719 1.00 14.44 O ATOM 1146 CB SER A 74 -11.244 22.331 -27.123 1.00 75.34 C ATOM 1147 OG SER A 74 -10.664 23.505 -27.664 1.00 51.10 O ATOM 0 H SER A 74 -8.839 22.858 -25.087 1.00 30.44 H new ATOM 0 HA SER A 74 -11.021 21.152 -25.340 1.00 11.12 H new ATOM 0 HB2 SER A 74 -11.347 21.579 -27.905 1.00 75.34 H new ATOM 0 HB3 SER A 74 -12.247 22.552 -26.759 1.00 75.34 H new ATOM 0 HG SER A 74 -11.226 23.841 -28.393 1.00 51.10 H new ATOM 1153 N GLN A 75 -8.713 20.048 -25.696 1.00 4.21 N ATOM 1154 CA GLN A 75 -7.629 19.164 -26.108 1.00 73.51 C ATOM 1155 C GLN A 75 -7.273 18.184 -24.995 1.00 5.44 C ATOM 1156 O GLN A 75 -7.223 18.555 -23.822 1.00 54.32 O ATOM 1157 CB GLN A 75 -6.397 19.980 -26.500 1.00 4.23 C ATOM 1158 CG GLN A 75 -5.836 19.618 -27.865 1.00 42.45 C ATOM 1159 CD GLN A 75 -4.945 20.704 -28.437 1.00 54.10 C ATOM 1160 OE1 GLN A 75 -4.485 21.589 -27.715 1.00 50.34 O ATOM 1161 NE2 GLN A 75 -4.697 20.642 -29.740 1.00 74.31 N ATOM 0 H GLN A 75 -8.993 19.946 -24.720 1.00 4.21 H new ATOM 0 HA GLN A 75 -7.968 18.595 -26.973 1.00 73.51 H new ATOM 0 HB2 GLN A 75 -6.655 21.039 -26.492 1.00 4.23 H new ATOM 0 HB3 GLN A 75 -5.621 19.835 -25.748 1.00 4.23 H new ATOM 0 HG2 GLN A 75 -5.268 18.691 -27.786 1.00 42.45 H new ATOM 0 HG3 GLN A 75 -6.660 19.429 -28.554 1.00 42.45 H new ATOM 0 HE21 GLN A 75 -5.099 19.891 -30.301 1.00 74.31 H new ATOM 0 HE22 GLN A 75 -4.104 21.346 -30.180 1.00 74.31 H new ATOM 1170 N GLN A 76 -7.025 16.934 -25.370 1.00 21.31 N ATOM 1171 CA GLN A 76 -6.674 15.901 -24.402 1.00 2.41 C ATOM 1172 C GLN A 76 -5.274 15.358 -24.669 1.00 50.00 C ATOM 1173 O GLN A 76 -5.115 14.270 -25.222 1.00 70.11 O ATOM 1174 CB GLN A 76 -7.693 14.762 -24.447 1.00 73.12 C ATOM 1175 CG GLN A 76 -8.399 14.630 -25.787 1.00 52.11 C ATOM 1176 CD GLN A 76 -9.628 15.512 -25.889 1.00 31.04 C ATOM 1177 OE1 GLN A 76 -10.633 15.277 -25.216 1.00 65.43 O ATOM 1178 NE2 GLN A 76 -9.555 16.535 -26.732 1.00 1.11 N ATOM 0 H GLN A 76 -7.060 16.611 -26.337 1.00 21.31 H new ATOM 0 HA GLN A 76 -6.686 16.350 -23.409 1.00 2.41 H new ATOM 0 HB2 GLN A 76 -7.187 13.824 -24.218 1.00 73.12 H new ATOM 0 HB3 GLN A 76 -8.438 14.921 -23.667 1.00 73.12 H new ATOM 0 HG2 GLN A 76 -7.704 14.888 -26.586 1.00 52.11 H new ATOM 0 HG3 GLN A 76 -8.689 13.590 -25.940 1.00 52.11 H new ATOM 0 HE21 GLN A 76 -8.703 16.693 -27.270 1.00 1.11 H new ATOM 0 HE22 GLN A 76 -10.351 17.163 -26.842 1.00 1.11 H new ATOM 1187 N SER A 77 -4.262 16.123 -24.273 1.00 1.31 N ATOM 1188 CA SER A 77 -2.875 15.720 -24.473 1.00 41.45 C ATOM 1189 C SER A 77 -2.006 16.160 -23.299 1.00 12.20 C ATOM 1190 O SER A 77 -0.777 16.131 -23.374 1.00 53.24 O ATOM 1191 CB SER A 77 -2.332 16.315 -25.775 1.00 32.44 C ATOM 1192 OG SER A 77 -2.638 17.695 -25.871 1.00 44.02 O ATOM 0 H SER A 77 -4.377 17.025 -23.812 1.00 1.31 H new ATOM 0 HA SER A 77 -2.844 14.632 -24.537 1.00 41.45 H new ATOM 0 HB2 SER A 77 -1.252 16.175 -25.820 1.00 32.44 H new ATOM 0 HB3 SER A 77 -2.758 15.785 -26.627 1.00 32.44 H new ATOM 0 HG SER A 77 -2.733 17.944 -26.814 1.00 44.02 H new ATOM 1198 N THR A 78 -2.654 16.568 -22.212 1.00 1.30 N ATOM 1199 CA THR A 78 -1.943 17.016 -21.021 1.00 64.42 C ATOM 1200 C THR A 78 -1.352 15.836 -20.258 1.00 65.21 C ATOM 1201 O THR A 78 -1.983 14.786 -20.132 1.00 30.24 O ATOM 1202 CB THR A 78 -2.867 17.810 -20.080 1.00 34.03 C ATOM 1203 OG1 THR A 78 -3.208 19.068 -20.673 1.00 65.24 O ATOM 1204 CG2 THR A 78 -2.198 18.043 -18.734 1.00 10.23 C ATOM 0 H THR A 78 -3.670 16.597 -22.132 1.00 1.30 H new ATOM 0 HA THR A 78 -1.137 17.667 -21.360 1.00 64.42 H new ATOM 0 HB THR A 78 -3.774 17.227 -19.921 1.00 34.03 H new ATOM 0 HG1 THR A 78 -2.471 19.701 -20.544 1.00 65.24 H new ATOM 0 HG21 THR A 78 -2.870 18.606 -18.086 1.00 10.23 H new ATOM 0 HG22 THR A 78 -1.967 17.083 -18.271 1.00 10.23 H new ATOM 0 HG23 THR A 78 -1.276 18.607 -18.878 1.00 10.23 H new ATOM 1212 N LEU A 79 -0.137 16.014 -19.750 1.00 51.44 N ATOM 1213 CA LEU A 79 0.540 14.964 -18.998 1.00 32.21 C ATOM 1214 C LEU A 79 1.594 15.554 -18.066 1.00 75.22 C ATOM 1215 O LEU A 79 2.324 16.471 -18.442 1.00 24.03 O ATOM 1216 CB LEU A 79 1.191 13.963 -19.954 1.00 51.01 C ATOM 1217 CG LEU A 79 2.696 14.125 -20.173 1.00 55.31 C ATOM 1218 CD1 LEU A 79 3.475 13.364 -19.112 1.00 35.31 C ATOM 1219 CD2 LEU A 79 3.086 13.652 -21.566 1.00 12.51 C ATOM 0 H LEU A 79 0.399 16.876 -19.846 1.00 51.44 H new ATOM 0 HA LEU A 79 -0.205 14.447 -18.393 1.00 32.21 H new ATOM 0 HB2 LEU A 79 1.005 12.957 -19.577 1.00 51.01 H new ATOM 0 HB3 LEU A 79 0.693 14.038 -20.921 1.00 51.01 H new ATOM 0 HG LEU A 79 2.944 15.183 -20.087 1.00 55.31 H new ATOM 0 HD11 LEU A 79 4.544 13.491 -19.284 1.00 35.31 H new ATOM 0 HD12 LEU A 79 3.218 13.750 -18.125 1.00 35.31 H new ATOM 0 HD13 LEU A 79 3.222 12.305 -19.165 1.00 35.31 H new ATOM 0 HD21 LEU A 79 4.160 13.775 -21.704 1.00 12.51 H new ATOM 0 HD22 LEU A 79 2.823 12.600 -21.680 1.00 12.51 H new ATOM 0 HD23 LEU A 79 2.554 14.242 -22.313 1.00 12.51 H new ATOM 1231 N ILE A 80 1.667 15.020 -16.852 1.00 1.45 N ATOM 1232 CA ILE A 80 2.634 15.492 -15.868 1.00 11.11 C ATOM 1233 C ILE A 80 2.789 14.493 -14.727 1.00 21.24 C ATOM 1234 O ILE A 80 1.817 14.143 -14.056 1.00 73.04 O ATOM 1235 CB ILE A 80 2.225 16.858 -15.287 1.00 13.52 C ATOM 1236 CG1 ILE A 80 3.092 17.202 -14.074 1.00 20.30 C ATOM 1237 CG2 ILE A 80 0.752 16.853 -14.907 1.00 34.33 C ATOM 1238 CD1 ILE A 80 2.400 16.964 -12.750 1.00 3.42 C ATOM 0 H ILE A 80 1.069 14.261 -16.526 1.00 1.45 H new ATOM 0 HA ILE A 80 3.586 15.598 -16.387 1.00 11.11 H new ATOM 0 HB ILE A 80 2.381 17.621 -16.050 1.00 13.52 H new ATOM 0 HG12 ILE A 80 4.005 16.608 -14.110 1.00 20.30 H new ATOM 0 HG13 ILE A 80 3.390 18.249 -14.136 1.00 20.30 H new ATOM 0 HG21 ILE A 80 0.478 17.826 -14.498 1.00 34.33 H new ATOM 0 HG22 ILE A 80 0.149 16.649 -15.792 1.00 34.33 H new ATOM 0 HG23 ILE A 80 0.572 16.081 -14.159 1.00 34.33 H new ATOM 0 HD11 ILE A 80 3.073 17.229 -11.935 1.00 3.42 H new ATOM 0 HD12 ILE A 80 1.502 17.579 -12.693 1.00 3.42 H new ATOM 0 HD13 ILE A 80 2.126 15.912 -12.667 1.00 3.42 H new ATOM 1250 N LEU A 81 4.018 14.038 -14.509 1.00 61.44 N ATOM 1251 CA LEU A 81 4.302 13.079 -13.447 1.00 43.20 C ATOM 1252 C LEU A 81 4.854 13.783 -12.212 1.00 2.44 C ATOM 1253 O LEU A 81 6.016 14.191 -12.184 1.00 14.11 O ATOM 1254 CB LEU A 81 5.299 12.027 -13.936 1.00 31.31 C ATOM 1255 CG LEU A 81 5.864 11.090 -12.868 1.00 3.25 C ATOM 1256 CD1 LEU A 81 4.802 10.105 -12.406 1.00 23.54 C ATOM 1257 CD2 LEU A 81 7.085 10.352 -13.397 1.00 42.32 C ATOM 0 H LEU A 81 4.834 14.318 -15.054 1.00 61.44 H new ATOM 0 HA LEU A 81 3.368 12.587 -13.176 1.00 43.20 H new ATOM 0 HB2 LEU A 81 4.812 11.422 -14.701 1.00 31.31 H new ATOM 0 HB3 LEU A 81 6.131 12.540 -14.418 1.00 31.31 H new ATOM 0 HG LEU A 81 6.171 11.690 -12.011 1.00 3.25 H new ATOM 0 HD11 LEU A 81 5.223 9.446 -11.646 1.00 23.54 H new ATOM 0 HD12 LEU A 81 3.957 10.651 -11.986 1.00 23.54 H new ATOM 0 HD13 LEU A 81 4.464 9.510 -13.254 1.00 23.54 H new ATOM 0 HD21 LEU A 81 7.473 9.690 -12.623 1.00 42.32 H new ATOM 0 HD22 LEU A 81 6.804 9.764 -14.271 1.00 42.32 H new ATOM 0 HD23 LEU A 81 7.853 11.073 -13.677 1.00 42.32 H new ATOM 1269 N TYR A 82 4.015 13.921 -11.191 1.00 70.13 N ATOM 1270 CA TYR A 82 4.419 14.576 -9.953 1.00 35.13 C ATOM 1271 C TYR A 82 5.130 13.596 -9.025 1.00 20.21 C ATOM 1272 O TYR A 82 4.903 12.387 -9.088 1.00 42.45 O ATOM 1273 CB TYR A 82 3.200 15.172 -9.246 1.00 30.43 C ATOM 1274 CG TYR A 82 2.602 14.260 -8.198 1.00 71.12 C ATOM 1275 CD1 TYR A 82 2.628 14.604 -6.852 1.00 44.53 C ATOM 1276 CD2 TYR A 82 2.011 13.054 -8.554 1.00 22.31 C ATOM 1277 CE1 TYR A 82 2.084 13.774 -5.892 1.00 12.44 C ATOM 1278 CE2 TYR A 82 1.463 12.218 -7.600 1.00 51.23 C ATOM 1279 CZ TYR A 82 1.502 12.583 -6.271 1.00 31.34 C ATOM 1280 OH TYR A 82 0.958 11.752 -5.317 1.00 40.54 O ATOM 0 H TYR A 82 3.051 13.588 -11.197 1.00 70.13 H new ATOM 0 HA TYR A 82 5.113 15.378 -10.205 1.00 35.13 H new ATOM 0 HB2 TYR A 82 3.487 16.113 -8.776 1.00 30.43 H new ATOM 0 HB3 TYR A 82 2.438 15.406 -9.989 1.00 30.43 H new ATOM 0 HD1 TYR A 82 3.082 15.537 -6.551 1.00 44.53 H new ATOM 0 HD2 TYR A 82 1.979 12.765 -9.594 1.00 22.31 H new ATOM 0 HE1 TYR A 82 2.114 14.056 -4.850 1.00 12.44 H new ATOM 0 HE2 TYR A 82 1.007 11.284 -7.894 1.00 51.23 H new ATOM 0 HH TYR A 82 -0.002 11.645 -5.485 1.00 40.54 H new ATOM 1290 N ARG A 83 5.991 14.126 -8.163 1.00 4.20 N ATOM 1291 CA ARG A 83 6.737 13.300 -7.222 1.00 23.43 C ATOM 1292 C ARG A 83 6.860 13.993 -5.868 1.00 42.01 C ATOM 1293 O ARG A 83 7.497 15.039 -5.751 1.00 53.22 O ATOM 1294 CB ARG A 83 8.129 12.988 -7.775 1.00 51.14 C ATOM 1295 CG ARG A 83 8.933 12.037 -6.903 1.00 55.23 C ATOM 1296 CD ARG A 83 10.388 12.467 -6.805 1.00 70.22 C ATOM 1297 NE ARG A 83 10.728 12.947 -5.468 1.00 61.54 N ATOM 1298 CZ ARG A 83 11.961 13.269 -5.095 1.00 44.52 C ATOM 1299 NH1 ARG A 83 12.966 13.165 -5.954 1.00 22.00 N ATOM 1300 NH2 ARG A 83 12.191 13.699 -3.861 1.00 25.41 N ATOM 0 H ARG A 83 6.189 15.124 -8.097 1.00 4.20 H new ATOM 0 HA ARG A 83 6.190 12.367 -7.085 1.00 23.43 H new ATOM 0 HB2 ARG A 83 8.027 12.556 -8.770 1.00 51.14 H new ATOM 0 HB3 ARG A 83 8.683 13.920 -7.888 1.00 51.14 H new ATOM 0 HG2 ARG A 83 8.496 11.999 -5.905 1.00 55.23 H new ATOM 0 HG3 ARG A 83 8.877 11.029 -7.314 1.00 55.23 H new ATOM 0 HD2 ARG A 83 11.033 11.627 -7.063 1.00 70.22 H new ATOM 0 HD3 ARG A 83 10.583 13.254 -7.533 1.00 70.22 H new ATOM 0 HE ARG A 83 9.977 13.040 -4.784 1.00 61.54 H new ATOM 0 HH11 ARG A 83 12.793 12.837 -6.904 1.00 22.00 H new ATOM 0 HH12 ARG A 83 13.912 13.413 -5.665 1.00 22.00 H new ATOM 0 HH21 ARG A 83 11.420 13.782 -3.198 1.00 25.41 H new ATOM 0 HH22 ARG A 83 13.138 13.946 -3.575 1.00 25.41 H new ATOM 1314 N ASN A 84 6.246 13.402 -4.848 1.00 53.23 N ATOM 1315 CA ASN A 84 6.285 13.964 -3.503 1.00 24.31 C ATOM 1316 C ASN A 84 5.415 15.213 -3.409 1.00 12.00 C ATOM 1317 O ASN A 84 5.856 16.255 -2.925 1.00 72.25 O ATOM 1318 CB ASN A 84 7.725 14.301 -3.111 1.00 3.11 C ATOM 1319 CG ASN A 84 7.941 14.260 -1.610 1.00 72.44 C ATOM 1320 OD1 ASN A 84 6.985 14.243 -0.835 1.00 32.40 O ATOM 1321 ND2 ASN A 84 9.202 14.243 -1.194 1.00 52.22 N ATOM 0 H ASN A 84 5.716 12.534 -4.927 1.00 53.23 H new ATOM 0 HA ASN A 84 5.892 13.217 -2.813 1.00 24.31 H new ATOM 0 HB2 ASN A 84 8.404 13.597 -3.592 1.00 3.11 H new ATOM 0 HB3 ASN A 84 7.978 15.293 -3.485 1.00 3.11 H new ATOM 0 HD21 ASN A 84 9.409 14.215 -0.196 1.00 52.22 H new ATOM 0 HD22 ASN A 84 9.963 14.258 -1.873 1.00 52.22 H new ATOM 1328 N GLY A 85 4.175 15.100 -3.875 1.00 15.11 N ATOM 1329 CA GLY A 85 3.261 16.227 -3.834 1.00 2.21 C ATOM 1330 C GLY A 85 3.812 17.446 -4.547 1.00 41.01 C ATOM 1331 O GLY A 85 3.554 18.579 -4.141 1.00 64.14 O ATOM 0 H GLY A 85 3.787 14.248 -4.280 1.00 15.11 H new ATOM 0 HA2 GLY A 85 2.314 15.940 -4.291 1.00 2.21 H new ATOM 0 HA3 GLY A 85 3.050 16.482 -2.796 1.00 2.21 H new ATOM 1335 N GLN A 86 4.574 17.213 -5.611 1.00 53.22 N ATOM 1336 CA GLN A 86 5.164 18.302 -6.380 1.00 42.14 C ATOM 1337 C GLN A 86 5.276 17.929 -7.855 1.00 25.32 C ATOM 1338 O GLN A 86 5.585 16.787 -8.193 1.00 71.42 O ATOM 1339 CB GLN A 86 6.545 18.657 -5.825 1.00 71.52 C ATOM 1340 CG GLN A 86 6.531 19.839 -4.870 1.00 22.45 C ATOM 1341 CD GLN A 86 7.753 19.878 -3.973 1.00 0.30 C ATOM 1342 OE1 GLN A 86 8.754 19.212 -4.238 1.00 40.24 O ATOM 1343 NE2 GLN A 86 7.678 20.662 -2.904 1.00 33.14 N ATOM 0 H GLN A 86 4.797 16.281 -5.960 1.00 53.22 H new ATOM 0 HA GLN A 86 4.511 19.170 -6.292 1.00 42.14 H new ATOM 0 HB2 GLN A 86 6.954 17.788 -5.309 1.00 71.52 H new ATOM 0 HB3 GLN A 86 7.215 18.879 -6.655 1.00 71.52 H new ATOM 0 HG2 GLN A 86 6.476 20.764 -5.444 1.00 22.45 H new ATOM 0 HG3 GLN A 86 5.633 19.793 -4.253 1.00 22.45 H new ATOM 0 HE21 GLN A 86 6.829 21.197 -2.722 1.00 33.14 H new ATOM 0 HE22 GLN A 86 8.470 20.729 -2.264 1.00 33.14 H new ATOM 1352 N GLU A 87 5.024 18.900 -8.727 1.00 74.40 N ATOM 1353 CA GLU A 87 5.095 18.671 -10.165 1.00 44.14 C ATOM 1354 C GLU A 87 6.509 18.915 -10.685 1.00 43.11 C ATOM 1355 O GLU A 87 7.105 19.961 -10.428 1.00 43.24 O ATOM 1356 CB GLU A 87 4.107 19.580 -10.899 1.00 12.14 C ATOM 1357 CG GLU A 87 4.268 21.053 -10.561 1.00 30.44 C ATOM 1358 CD GLU A 87 4.282 21.936 -11.793 1.00 13.00 C ATOM 1359 OE1 GLU A 87 5.377 22.394 -12.181 1.00 54.44 O ATOM 1360 OE2 GLU A 87 3.198 22.169 -12.369 1.00 5.24 O ATOM 0 H GLU A 87 4.769 19.852 -8.463 1.00 74.40 H new ATOM 0 HA GLU A 87 4.830 17.631 -10.354 1.00 44.14 H new ATOM 0 HB2 GLU A 87 4.233 19.447 -11.973 1.00 12.14 H new ATOM 0 HB3 GLU A 87 3.091 19.269 -10.656 1.00 12.14 H new ATOM 0 HG2 GLU A 87 3.454 21.363 -9.906 1.00 30.44 H new ATOM 0 HG3 GLU A 87 5.195 21.195 -10.006 1.00 30.44 H new ATOM 1367 N VAL A 88 7.041 17.941 -11.417 1.00 54.13 N ATOM 1368 CA VAL A 88 8.384 18.049 -11.974 1.00 72.01 C ATOM 1369 C VAL A 88 8.345 18.574 -13.405 1.00 1.12 C ATOM 1370 O VAL A 88 8.812 19.678 -13.684 1.00 43.25 O ATOM 1371 CB VAL A 88 9.109 16.690 -11.957 1.00 3.41 C ATOM 1372 CG1 VAL A 88 10.527 16.835 -12.489 1.00 51.11 C ATOM 1373 CG2 VAL A 88 9.115 16.108 -10.552 1.00 24.13 C ATOM 0 H VAL A 88 6.562 17.068 -11.638 1.00 54.13 H new ATOM 0 HA VAL A 88 8.931 18.753 -11.347 1.00 72.01 H new ATOM 0 HB VAL A 88 8.571 16.002 -12.609 1.00 3.41 H new ATOM 0 HG11 VAL A 88 11.024 15.865 -12.470 1.00 51.11 H new ATOM 0 HG12 VAL A 88 10.495 17.206 -13.513 1.00 51.11 H new ATOM 0 HG13 VAL A 88 11.079 17.538 -11.866 1.00 51.11 H new ATOM 0 HG21 VAL A 88 9.631 15.148 -10.558 1.00 24.13 H new ATOM 0 HG22 VAL A 88 9.629 16.792 -9.877 1.00 24.13 H new ATOM 0 HG23 VAL A 88 8.089 15.966 -10.213 1.00 24.13 H new ATOM 1383 N ARG A 89 7.785 17.776 -14.307 1.00 74.43 N ATOM 1384 CA ARG A 89 7.685 18.159 -15.710 1.00 42.53 C ATOM 1385 C ARG A 89 6.242 18.069 -16.198 1.00 21.12 C ATOM 1386 O ARG A 89 5.461 17.253 -15.708 1.00 10.44 O ATOM 1387 CB ARG A 89 8.582 17.267 -16.570 1.00 43.10 C ATOM 1388 CG ARG A 89 9.875 17.939 -17.002 1.00 24.02 C ATOM 1389 CD ARG A 89 9.606 19.191 -17.822 1.00 71.32 C ATOM 1390 NE ARG A 89 9.985 20.406 -17.107 1.00 3.11 N ATOM 1391 CZ ARG A 89 9.575 21.621 -17.454 1.00 4.24 C ATOM 1392 NH1 ARG A 89 8.777 21.782 -18.500 1.00 20.41 N ATOM 1393 NH2 ARG A 89 9.964 22.679 -16.753 1.00 33.22 N ATOM 0 H ARG A 89 7.393 16.859 -14.091 1.00 74.43 H new ATOM 0 HA ARG A 89 8.017 19.193 -15.802 1.00 42.53 H new ATOM 0 HB2 ARG A 89 8.822 16.362 -16.012 1.00 43.10 H new ATOM 0 HB3 ARG A 89 8.029 16.958 -17.457 1.00 43.10 H new ATOM 0 HG2 ARG A 89 10.463 18.199 -16.122 1.00 24.02 H new ATOM 0 HG3 ARG A 89 10.471 17.240 -17.588 1.00 24.02 H new ATOM 0 HD2 ARG A 89 10.158 19.135 -18.760 1.00 71.32 H new ATOM 0 HD3 ARG A 89 8.547 19.236 -18.078 1.00 71.32 H new ATOM 0 HE ARG A 89 10.598 20.317 -16.297 1.00 3.11 H new ATOM 0 HH11 ARG A 89 8.476 20.972 -19.041 1.00 20.41 H new ATOM 0 HH12 ARG A 89 8.464 22.716 -18.764 1.00 20.41 H new ATOM 0 HH21 ARG A 89 10.578 22.559 -15.947 1.00 33.22 H new ATOM 0 HH22 ARG A 89 9.649 23.612 -17.020 1.00 33.22 H new ATOM 1407 N ARG A 90 5.896 18.912 -17.165 1.00 72.11 N ATOM 1408 CA ARG A 90 4.547 18.928 -17.718 1.00 13.15 C ATOM 1409 C ARG A 90 4.543 19.515 -19.126 1.00 60.11 C ATOM 1410 O ARG A 90 5.302 20.436 -19.428 1.00 21.23 O ATOM 1411 CB ARG A 90 3.613 19.736 -16.815 1.00 34.04 C ATOM 1412 CG ARG A 90 2.194 19.846 -17.349 1.00 32.23 C ATOM 1413 CD ARG A 90 1.980 21.151 -18.099 1.00 4.44 C ATOM 1414 NE ARG A 90 0.681 21.748 -17.800 1.00 60.33 N ATOM 1415 CZ ARG A 90 0.144 22.733 -18.512 1.00 32.35 C ATOM 1416 NH1 ARG A 90 0.791 23.229 -19.557 1.00 54.01 N ATOM 1417 NH2 ARG A 90 -1.043 23.223 -18.178 1.00 31.15 N ATOM 0 H ARG A 90 6.531 19.593 -17.582 1.00 72.11 H new ATOM 0 HA ARG A 90 4.191 17.899 -17.771 1.00 13.15 H new ATOM 0 HB2 ARG A 90 3.586 19.274 -15.828 1.00 34.04 H new ATOM 0 HB3 ARG A 90 4.023 20.738 -16.687 1.00 34.04 H new ATOM 0 HG2 ARG A 90 1.988 19.006 -18.012 1.00 32.23 H new ATOM 0 HG3 ARG A 90 1.487 19.780 -16.522 1.00 32.23 H new ATOM 0 HD2 ARG A 90 2.771 21.854 -17.837 1.00 4.44 H new ATOM 0 HD3 ARG A 90 2.057 20.970 -19.171 1.00 4.44 H new ATOM 0 HE ARG A 90 0.158 21.389 -17.001 1.00 60.33 H new ATOM 0 HH11 ARG A 90 1.704 22.855 -19.817 1.00 54.01 H new ATOM 0 HH12 ARG A 90 0.376 23.985 -20.102 1.00 54.01 H new ATOM 0 HH21 ARG A 90 -1.544 22.844 -17.374 1.00 31.15 H new ATOM 0 HH22 ARG A 90 -1.455 23.979 -18.725 1.00 31.15 H new ATOM 1431 N SER A 91 3.684 18.975 -19.984 1.00 71.45 N ATOM 1432 CA SER A 91 3.584 19.441 -21.362 1.00 44.34 C ATOM 1433 C SER A 91 2.268 18.997 -21.993 1.00 12.24 C ATOM 1434 O SER A 91 1.845 17.852 -21.832 1.00 25.23 O ATOM 1435 CB SER A 91 4.761 18.916 -22.187 1.00 73.23 C ATOM 1436 OG SER A 91 4.308 18.186 -23.314 1.00 75.41 O ATOM 0 H SER A 91 3.047 18.214 -19.749 1.00 71.45 H new ATOM 0 HA SER A 91 3.612 20.531 -21.353 1.00 44.34 H new ATOM 0 HB2 SER A 91 5.380 19.751 -22.515 1.00 73.23 H new ATOM 0 HB3 SER A 91 5.389 18.278 -21.565 1.00 73.23 H new ATOM 0 HG SER A 91 4.636 18.612 -24.133 1.00 75.41 H new ATOM 1442 N ILE A 92 1.625 19.912 -22.710 1.00 74.12 N ATOM 1443 CA ILE A 92 0.357 19.615 -23.366 1.00 10.13 C ATOM 1444 C ILE A 92 0.480 19.735 -24.881 1.00 3.11 C ATOM 1445 O ILE A 92 1.147 20.635 -25.391 1.00 21.53 O ATOM 1446 CB ILE A 92 -0.763 20.553 -22.877 1.00 44.12 C ATOM 1447 CG1 ILE A 92 -2.129 20.024 -23.317 1.00 52.35 C ATOM 1448 CG2 ILE A 92 -0.540 21.963 -23.403 1.00 44.03 C ATOM 1449 CD1 ILE A 92 -2.584 20.564 -24.656 1.00 5.15 C ATOM 0 H ILE A 92 1.961 20.865 -22.852 1.00 74.12 H new ATOM 0 HA ILE A 92 0.100 18.588 -23.105 1.00 10.13 H new ATOM 0 HB ILE A 92 -0.741 20.585 -21.788 1.00 44.12 H new ATOM 0 HG12 ILE A 92 -2.089 18.936 -23.368 1.00 52.35 H new ATOM 0 HG13 ILE A 92 -2.870 20.281 -22.560 1.00 52.35 H new ATOM 0 HG21 ILE A 92 -1.339 22.614 -23.049 1.00 44.03 H new ATOM 0 HG22 ILE A 92 0.419 22.338 -23.044 1.00 44.03 H new ATOM 0 HG23 ILE A 92 -0.539 21.949 -24.493 1.00 44.03 H new ATOM 0 HD11 ILE A 92 -3.560 20.146 -24.904 1.00 5.15 H new ATOM 0 HD12 ILE A 92 -2.657 21.650 -24.605 1.00 5.15 H new ATOM 0 HD13 ILE A 92 -1.864 20.285 -25.425 1.00 5.15 H new ATOM 1461 N GLY A 93 -0.170 18.822 -25.596 1.00 43.14 N ATOM 1462 CA GLY A 93 -0.122 18.844 -27.047 1.00 4.13 C ATOM 1463 C GLY A 93 -0.185 17.455 -27.650 1.00 72.00 C ATOM 1464 O GLY A 93 -1.103 17.142 -28.407 1.00 15.11 O ATOM 0 H GLY A 93 -0.729 18.068 -25.197 1.00 43.14 H new ATOM 0 HA2 GLY A 93 -0.953 19.439 -27.426 1.00 4.13 H new ATOM 0 HA3 GLY A 93 0.796 19.336 -27.370 1.00 4.13 H new ATOM 1468 N GLU A 94 0.794 16.621 -27.316 1.00 23.35 N ATOM 1469 CA GLU A 94 0.846 15.258 -27.832 1.00 42.25 C ATOM 1470 C GLU A 94 2.123 14.554 -27.382 1.00 35.52 C ATOM 1471 O GLU A 94 2.073 13.536 -26.690 1.00 1.14 O ATOM 1472 CB GLU A 94 0.767 15.265 -29.361 1.00 11.45 C ATOM 1473 CG GLU A 94 1.239 13.971 -30.001 1.00 34.44 C ATOM 1474 CD GLU A 94 0.792 13.836 -31.443 1.00 53.54 C ATOM 1475 OE1 GLU A 94 -0.261 14.410 -31.793 1.00 74.53 O ATOM 1476 OE2 GLU A 94 1.494 13.159 -32.222 1.00 62.21 O ATOM 0 H GLU A 94 1.562 16.865 -26.691 1.00 23.35 H new ATOM 0 HA GLU A 94 -0.009 14.713 -27.433 1.00 42.25 H new ATOM 0 HB2 GLU A 94 -0.263 15.455 -29.662 1.00 11.45 H new ATOM 0 HB3 GLU A 94 1.368 16.090 -29.744 1.00 11.45 H new ATOM 0 HG2 GLU A 94 2.327 13.924 -29.956 1.00 34.44 H new ATOM 0 HG3 GLU A 94 0.859 13.126 -29.426 1.00 34.44 H new ATOM 1483 N THR A 95 3.266 15.102 -27.780 1.00 64.31 N ATOM 1484 CA THR A 95 4.556 14.526 -27.420 1.00 10.13 C ATOM 1485 C THR A 95 5.656 15.581 -27.447 1.00 12.34 C ATOM 1486 O THR A 95 5.751 16.369 -28.388 1.00 33.12 O ATOM 1487 CB THR A 95 4.942 13.375 -28.367 1.00 73.43 C ATOM 1488 OG1 THR A 95 6.150 12.753 -27.916 1.00 20.30 O ATOM 1489 CG2 THR A 95 5.127 13.883 -29.789 1.00 65.10 C ATOM 0 H THR A 95 3.325 15.944 -28.352 1.00 64.31 H new ATOM 0 HA THR A 95 4.455 14.135 -26.407 1.00 10.13 H new ATOM 0 HB THR A 95 4.134 12.643 -28.362 1.00 73.43 H new ATOM 0 HG1 THR A 95 6.387 12.021 -28.523 1.00 20.30 H new ATOM 0 HG21 THR A 95 5.399 13.052 -30.440 1.00 65.10 H new ATOM 0 HG22 THR A 95 4.196 14.329 -30.140 1.00 65.10 H new ATOM 0 HG23 THR A 95 5.918 14.633 -29.808 1.00 65.10 H new ATOM 1497 N SER A 96 6.486 15.591 -26.408 1.00 54.13 N ATOM 1498 CA SER A 96 7.578 16.552 -26.312 1.00 11.32 C ATOM 1499 C SER A 96 8.630 16.080 -25.313 1.00 43.31 C ATOM 1500 O SER A 96 8.382 15.215 -24.473 1.00 41.11 O ATOM 1501 CB SER A 96 7.043 17.924 -25.896 1.00 50.10 C ATOM 1502 OG SER A 96 7.230 18.878 -26.927 1.00 3.32 O ATOM 0 H SER A 96 6.423 14.945 -25.622 1.00 54.13 H new ATOM 0 HA SER A 96 8.045 16.634 -27.294 1.00 11.32 H new ATOM 0 HB2 SER A 96 5.983 17.847 -25.656 1.00 50.10 H new ATOM 0 HB3 SER A 96 7.552 18.257 -24.991 1.00 50.10 H new ATOM 0 HG SER A 96 6.878 19.746 -26.637 1.00 3.32 H new ATOM 1508 N PRO A 97 9.835 16.662 -25.406 1.00 24.14 N ATOM 1509 CA PRO A 97 10.951 16.318 -24.519 1.00 34.24 C ATOM 1510 C PRO A 97 10.722 16.794 -23.088 1.00 51.12 C ATOM 1511 O PRO A 97 11.380 16.331 -22.157 1.00 20.22 O ATOM 1512 CB PRO A 97 12.140 17.052 -25.143 1.00 31.21 C ATOM 1513 CG PRO A 97 11.534 18.192 -25.886 1.00 73.44 C ATOM 1514 CD PRO A 97 10.202 17.701 -26.383 1.00 30.41 C ATOM 0 HA PRO A 97 11.092 15.240 -24.441 1.00 34.24 H new ATOM 0 HB2 PRO A 97 12.834 17.402 -24.379 1.00 31.21 H new ATOM 0 HB3 PRO A 97 12.703 16.399 -25.810 1.00 31.21 H new ATOM 0 HG2 PRO A 97 11.413 19.060 -25.238 1.00 73.44 H new ATOM 0 HG3 PRO A 97 12.171 18.500 -26.715 1.00 73.44 H new ATOM 0 HD2 PRO A 97 9.464 18.503 -26.413 1.00 30.41 H new ATOM 0 HD3 PRO A 97 10.274 17.296 -27.392 1.00 30.41 H new ATOM 1522 N SER A 98 9.785 17.722 -22.921 1.00 33.30 N ATOM 1523 CA SER A 98 9.472 18.263 -21.604 1.00 14.23 C ATOM 1524 C SER A 98 8.390 17.434 -20.918 1.00 60.44 C ATOM 1525 O SER A 98 8.262 17.450 -19.695 1.00 24.55 O ATOM 1526 CB SER A 98 9.015 19.719 -21.723 1.00 22.44 C ATOM 1527 OG SER A 98 9.951 20.597 -21.122 1.00 51.21 O ATOM 0 H SER A 98 9.230 18.115 -23.681 1.00 33.30 H new ATOM 0 HA SER A 98 10.377 18.221 -20.997 1.00 14.23 H new ATOM 0 HB2 SER A 98 8.890 19.980 -22.774 1.00 22.44 H new ATOM 0 HB3 SER A 98 8.042 19.838 -21.247 1.00 22.44 H new ATOM 0 HG SER A 98 9.638 21.521 -21.213 1.00 51.21 H new ATOM 1533 N ALA A 99 7.613 16.709 -21.717 1.00 45.35 N ATOM 1534 CA ALA A 99 6.544 15.871 -21.189 1.00 41.43 C ATOM 1535 C ALA A 99 7.065 14.489 -20.812 1.00 4.03 C ATOM 1536 O ALA A 99 6.634 13.902 -19.818 1.00 65.44 O ATOM 1537 CB ALA A 99 5.416 15.753 -22.204 1.00 2.33 C ATOM 0 H ALA A 99 7.704 16.686 -22.733 1.00 45.35 H new ATOM 0 HA ALA A 99 6.158 16.344 -20.286 1.00 41.43 H new ATOM 0 HB1 ALA A 99 4.624 15.124 -21.797 1.00 2.33 H new ATOM 0 HB2 ALA A 99 5.017 16.744 -22.421 1.00 2.33 H new ATOM 0 HB3 ALA A 99 5.798 15.306 -23.122 1.00 2.33 H new ATOM 1543 N LEU A 100 7.994 13.974 -21.610 1.00 21.13 N ATOM 1544 CA LEU A 100 8.574 12.659 -21.359 1.00 43.04 C ATOM 1545 C LEU A 100 9.733 12.754 -20.372 1.00 41.11 C ATOM 1546 O LEU A 100 10.105 11.766 -19.739 1.00 12.22 O ATOM 1547 CB LEU A 100 9.056 12.034 -22.670 1.00 40.50 C ATOM 1548 CG LEU A 100 9.937 10.792 -22.537 1.00 71.34 C ATOM 1549 CD1 LEU A 100 9.124 9.614 -22.024 1.00 30.53 C ATOM 1550 CD2 LEU A 100 10.586 10.453 -23.872 1.00 12.04 C ATOM 0 H LEU A 100 8.362 14.447 -22.436 1.00 21.13 H new ATOM 0 HA LEU A 100 7.801 12.026 -20.924 1.00 43.04 H new ATOM 0 HB2 LEU A 100 8.183 11.773 -23.268 1.00 40.50 H new ATOM 0 HB3 LEU A 100 9.609 12.790 -23.228 1.00 40.50 H new ATOM 0 HG LEU A 100 10.726 11.005 -21.816 1.00 71.34 H new ATOM 0 HD11 LEU A 100 9.768 8.739 -21.936 1.00 30.53 H new ATOM 0 HD12 LEU A 100 8.707 9.858 -21.047 1.00 30.53 H new ATOM 0 HD13 LEU A 100 8.314 9.400 -22.721 1.00 30.53 H new ATOM 0 HD21 LEU A 100 11.210 9.566 -23.759 1.00 12.04 H new ATOM 0 HD22 LEU A 100 9.812 10.260 -24.614 1.00 12.04 H new ATOM 0 HD23 LEU A 100 11.202 11.290 -24.200 1.00 12.04 H new ATOM 1562 N SER A 101 10.299 13.950 -20.245 1.00 14.33 N ATOM 1563 CA SER A 101 11.416 14.174 -19.335 1.00 43.43 C ATOM 1564 C SER A 101 11.043 13.784 -17.909 1.00 14.04 C ATOM 1565 O SER A 101 11.912 13.550 -17.069 1.00 44.22 O ATOM 1566 CB SER A 101 11.850 15.641 -19.378 1.00 13.00 C ATOM 1567 OG SER A 101 12.592 15.987 -18.222 1.00 4.12 O ATOM 0 H SER A 101 10.002 14.779 -20.761 1.00 14.33 H new ATOM 0 HA SER A 101 12.247 13.547 -19.658 1.00 43.43 H new ATOM 0 HB2 SER A 101 12.453 15.819 -20.268 1.00 13.00 H new ATOM 0 HB3 SER A 101 10.971 16.281 -19.455 1.00 13.00 H new ATOM 0 HG SER A 101 12.859 16.929 -18.274 1.00 4.12 H new ATOM 1573 N ASP A 102 9.743 13.716 -17.642 1.00 20.20 N ATOM 1574 CA ASP A 102 9.252 13.353 -16.318 1.00 23.15 C ATOM 1575 C ASP A 102 9.177 11.837 -16.163 1.00 15.24 C ATOM 1576 O ASP A 102 9.235 11.313 -15.050 1.00 65.33 O ATOM 1577 CB ASP A 102 7.875 13.972 -16.073 1.00 44.50 C ATOM 1578 CG ASP A 102 7.705 14.459 -14.648 1.00 14.45 C ATOM 1579 OD1 ASP A 102 8.504 14.048 -13.780 1.00 14.31 O ATOM 1580 OD2 ASP A 102 6.772 15.252 -14.400 1.00 5.34 O ATOM 0 H ASP A 102 9.010 13.908 -18.325 1.00 20.20 H new ATOM 0 HA ASP A 102 9.953 13.742 -15.579 1.00 23.15 H new ATOM 0 HB2 ASP A 102 7.728 14.806 -16.759 1.00 44.50 H new ATOM 0 HB3 ASP A 102 7.104 13.235 -16.297 1.00 44.50 H new ATOM 1585 N PHE A 103 9.044 11.139 -17.285 1.00 65.44 N ATOM 1586 CA PHE A 103 8.958 9.683 -17.274 1.00 64.04 C ATOM 1587 C PHE A 103 10.328 9.059 -17.020 1.00 55.13 C ATOM 1588 O PHE A 103 10.428 7.914 -16.578 1.00 4.04 O ATOM 1589 CB PHE A 103 8.392 9.174 -18.602 1.00 0.43 C ATOM 1590 CG PHE A 103 7.052 8.510 -18.466 1.00 71.32 C ATOM 1591 CD1 PHE A 103 5.977 8.924 -19.237 1.00 25.41 C ATOM 1592 CD2 PHE A 103 6.867 7.471 -17.568 1.00 14.33 C ATOM 1593 CE1 PHE A 103 4.743 8.314 -19.115 1.00 70.20 C ATOM 1594 CE2 PHE A 103 5.635 6.858 -17.442 1.00 33.42 C ATOM 1595 CZ PHE A 103 4.571 7.280 -18.215 1.00 43.14 C ATOM 0 H PHE A 103 8.993 11.557 -18.214 1.00 65.44 H new ATOM 0 HA PHE A 103 8.289 9.390 -16.465 1.00 64.04 H new ATOM 0 HB2 PHE A 103 8.306 10.010 -19.296 1.00 0.43 H new ATOM 0 HB3 PHE A 103 9.096 8.467 -19.041 1.00 0.43 H new ATOM 0 HD1 PHE A 103 6.105 9.733 -19.941 1.00 25.41 H new ATOM 0 HD2 PHE A 103 7.695 7.137 -16.960 1.00 14.33 H new ATOM 0 HE1 PHE A 103 3.914 8.645 -19.723 1.00 70.20 H new ATOM 0 HE2 PHE A 103 5.504 6.049 -16.739 1.00 33.42 H new ATOM 0 HZ PHE A 103 3.607 6.803 -18.116 1.00 43.14 H new ATOM 1605 N LEU A 104 11.379 9.819 -17.304 1.00 42.51 N ATOM 1606 CA LEU A 104 12.744 9.342 -17.107 1.00 53.44 C ATOM 1607 C LEU A 104 13.292 9.800 -15.759 1.00 54.25 C ATOM 1608 O LEU A 104 14.418 9.467 -15.389 1.00 11.42 O ATOM 1609 CB LEU A 104 13.648 9.843 -18.235 1.00 53.50 C ATOM 1610 CG LEU A 104 14.134 11.288 -18.114 1.00 23.05 C ATOM 1611 CD1 LEU A 104 15.459 11.344 -17.369 1.00 44.04 C ATOM 1612 CD2 LEU A 104 14.266 11.924 -19.490 1.00 20.13 C ATOM 0 H LEU A 104 11.313 10.768 -17.671 1.00 42.51 H new ATOM 0 HA LEU A 104 12.727 8.252 -17.120 1.00 53.44 H new ATOM 0 HB2 LEU A 104 14.520 9.191 -18.292 1.00 53.50 H new ATOM 0 HB3 LEU A 104 13.111 9.739 -19.178 1.00 53.50 H new ATOM 0 HG LEU A 104 13.396 11.853 -17.545 1.00 23.05 H new ATOM 0 HD11 LEU A 104 15.790 12.380 -17.292 1.00 44.04 H new ATOM 0 HD12 LEU A 104 15.332 10.929 -16.369 1.00 44.04 H new ATOM 0 HD13 LEU A 104 16.206 10.764 -17.911 1.00 44.04 H new ATOM 0 HD21 LEU A 104 14.613 12.952 -19.384 1.00 20.13 H new ATOM 0 HD22 LEU A 104 14.983 11.359 -20.085 1.00 20.13 H new ATOM 0 HD23 LEU A 104 13.297 11.918 -19.988 1.00 20.13 H new ATOM 1624 N THR A 105 12.487 10.564 -15.028 1.00 15.52 N ATOM 1625 CA THR A 105 12.890 11.067 -13.721 1.00 14.24 C ATOM 1626 C THR A 105 11.957 10.562 -12.626 1.00 13.42 C ATOM 1627 O THR A 105 12.205 10.776 -11.439 1.00 35.31 O ATOM 1628 CB THR A 105 12.910 12.607 -13.693 1.00 15.14 C ATOM 1629 OG1 THR A 105 11.870 13.126 -14.530 1.00 20.23 O ATOM 1630 CG2 THR A 105 14.256 13.139 -14.159 1.00 2.52 C ATOM 0 H THR A 105 11.552 10.848 -15.319 1.00 15.52 H new ATOM 0 HA THR A 105 13.898 10.695 -13.536 1.00 14.24 H new ATOM 0 HB THR A 105 12.745 12.932 -12.666 1.00 15.14 H new ATOM 0 HG1 THR A 105 12.229 13.308 -15.423 1.00 20.23 H new ATOM 0 HG21 THR A 105 14.246 14.229 -14.131 1.00 2.52 H new ATOM 0 HG22 THR A 105 15.042 12.766 -13.502 1.00 2.52 H new ATOM 0 HG23 THR A 105 14.446 12.804 -15.179 1.00 2.52 H new ATOM 1638 N ARG A 106 10.884 9.892 -13.032 1.00 34.31 N ATOM 1639 CA ARG A 106 9.913 9.357 -12.085 1.00 21.34 C ATOM 1640 C ARG A 106 9.338 10.467 -11.211 1.00 14.25 C ATOM 1641 O ARG A 106 9.911 10.818 -10.179 1.00 54.51 O ATOM 1642 CB ARG A 106 10.563 8.286 -11.206 1.00 10.43 C ATOM 1643 CG ARG A 106 9.698 7.853 -10.034 1.00 33.22 C ATOM 1644 CD ARG A 106 10.295 8.294 -8.707 1.00 0.41 C ATOM 1645 NE ARG A 106 10.904 7.181 -7.984 1.00 1.45 N ATOM 1646 CZ ARG A 106 11.541 7.318 -6.826 1.00 12.13 C ATOM 1647 NH1 ARG A 106 11.651 8.513 -6.263 1.00 14.42 N ATOM 1648 NH2 ARG A 106 12.069 6.257 -6.228 1.00 53.42 N ATOM 0 H ARG A 106 10.665 9.707 -14.011 1.00 34.31 H new ATOM 0 HA ARG A 106 9.099 8.907 -12.653 1.00 21.34 H new ATOM 0 HB2 ARG A 106 10.792 7.414 -11.819 1.00 10.43 H new ATOM 0 HB3 ARG A 106 11.511 8.666 -10.826 1.00 10.43 H new ATOM 0 HG2 ARG A 106 8.699 8.275 -10.143 1.00 33.22 H new ATOM 0 HG3 ARG A 106 9.589 6.769 -10.042 1.00 33.22 H new ATOM 0 HD2 ARG A 106 11.045 9.064 -8.885 1.00 0.41 H new ATOM 0 HD3 ARG A 106 9.516 8.744 -8.091 1.00 0.41 H new ATOM 0 HE ARG A 106 10.837 6.248 -8.390 1.00 1.45 H new ATOM 0 HH11 ARG A 106 11.246 9.331 -6.719 1.00 14.42 H new ATOM 0 HH12 ARG A 106 12.141 8.615 -5.374 1.00 14.42 H new ATOM 0 HH21 ARG A 106 11.986 5.336 -6.657 1.00 53.42 H new ATOM 0 HH22 ARG A 106 12.558 6.363 -5.339 1.00 53.42 H new TER 1662 ARG A 106