USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1048 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 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 90 GLN : amide:sc= 0 X(o=0,f=0.37) USER MOD Set 2.1: A 65 GLN : amide:sc= -0.0913 K(o=-0.83,f=-3.3!) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= -0.715 USER MOD Set 2.3: A 108 GLN : amide:sc= -0.0227 K(o=-0.83,f=-1.5) USER MOD Set 3.1: A 29 TYR OH : rot 70:sc= 0.14 USER MOD Set 3.2: A 97 THR OG1 : rot -131:sc= 0.92 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-11!) USER MOD Single : A 38 SER OG : rot 72:sc= -0.0904 USER MOD Single : A 47 ASN : amide:sc=-0.00637 X(o=-0.0064,f=0) USER MOD Single : A 53 THR OG1 : rot -13:sc= 0.569 USER MOD Single : A 54 SER OG : rot 180:sc= -0.339 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0885 X(o=-0.088,f=-0.51) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 67 SER OG : rot 93:sc= 0.362 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc=-0.00722 X(o=-0.0072,f=0) USER MOD Single : A 81 THR OG1 : rot 89:sc= 1.3 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.217 USER MOD Single : A 89 HIS : +bothHN:sc= -1.58! C(o=-1.6!,f=-5.2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -54:sc= 0.351 USER MOD Single : A 112 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0377) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot -8:sc= 0.863 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc=-0.00874 X(o=-0.0087,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 22.403 5.060 -10.780 1.00 13.00 N ATOM 2 CA GLY A 2 23.006 5.178 -9.466 1.00 45.03 C ATOM 3 C GLY A 2 21.976 5.211 -8.355 1.00 44.33 C ATOM 4 O GLY A 2 21.024 4.431 -8.358 1.00 0.22 O ATOM 0 HA2 GLY A 2 23.683 4.339 -9.304 1.00 45.03 H new ATOM 0 HA3 GLY A 2 23.608 6.086 -9.426 1.00 45.03 H new ATOM 8 N ALA A 3 22.166 6.115 -7.399 1.00 25.14 N ATOM 9 CA ALA A 3 21.246 6.247 -6.277 1.00 14.45 C ATOM 10 C ALA A 3 19.814 6.448 -6.763 1.00 62.41 C ATOM 11 O ALA A 3 18.859 6.081 -6.079 1.00 40.43 O ATOM 12 CB ALA A 3 21.670 7.399 -5.380 1.00 73.44 C ATOM 0 H ALA A 3 22.950 6.767 -7.380 1.00 25.14 H new ATOM 0 HA ALA A 3 21.279 5.323 -5.700 1.00 14.45 H new ATOM 0 HB1 ALA A 3 20.974 7.486 -4.546 1.00 73.44 H new ATOM 0 HB2 ALA A 3 22.673 7.212 -4.997 1.00 73.44 H new ATOM 0 HB3 ALA A 3 21.667 8.326 -5.953 1.00 73.44 H new ATOM 18 N ARG A 4 19.673 7.038 -7.945 1.00 1.22 N ATOM 19 CA ARG A 4 18.358 7.291 -8.520 1.00 1.45 C ATOM 20 C ARG A 4 17.518 6.018 -8.538 1.00 10.42 C ATOM 21 O ARG A 4 17.911 5.011 -9.127 1.00 35.11 O ATOM 22 CB ARG A 4 18.496 7.842 -9.941 1.00 1.14 C ATOM 23 CG ARG A 4 17.618 9.052 -10.212 1.00 33.45 C ATOM 24 CD ARG A 4 18.386 10.147 -10.938 1.00 53.42 C ATOM 25 NE ARG A 4 17.795 11.465 -10.722 1.00 25.15 N ATOM 26 CZ ARG A 4 18.271 12.581 -11.264 1.00 14.21 C ATOM 27 NH1 ARG A 4 19.338 12.538 -12.050 1.00 31.01 N ATOM 28 NH2 ARG A 4 17.678 13.743 -11.021 1.00 4.50 N ATOM 0 H ARG A 4 20.453 7.350 -8.523 1.00 1.22 H new ATOM 0 HA ARG A 4 17.854 8.030 -7.897 1.00 1.45 H new ATOM 0 HB2 ARG A 4 19.537 8.112 -10.117 1.00 1.14 H new ATOM 0 HB3 ARG A 4 18.246 7.055 -10.653 1.00 1.14 H new ATOM 0 HG2 ARG A 4 16.758 8.752 -10.810 1.00 33.45 H new ATOM 0 HG3 ARG A 4 17.231 9.441 -9.270 1.00 33.45 H new ATOM 0 HD2 ARG A 4 19.421 10.153 -10.595 1.00 53.42 H new ATOM 0 HD3 ARG A 4 18.406 9.929 -12.006 1.00 53.42 H new ATOM 0 HE ARG A 4 16.972 11.532 -10.123 1.00 25.15 H new ATOM 0 HH11 ARG A 4 19.796 11.647 -12.240 1.00 31.01 H new ATOM 0 HH12 ARG A 4 19.701 13.396 -12.465 1.00 31.01 H new ATOM 0 HH21 ARG A 4 16.856 13.780 -10.418 1.00 4.50 H new ATOM 0 HH22 ARG A 4 18.044 14.599 -11.437 1.00 4.50 H new ATOM 42 N ALA A 5 16.360 6.069 -7.887 1.00 22.22 N ATOM 43 CA ALA A 5 15.464 4.921 -7.828 1.00 24.35 C ATOM 44 C ALA A 5 14.052 5.345 -7.437 1.00 23.43 C ATOM 45 O ALA A 5 13.762 6.536 -7.322 1.00 72.04 O ATOM 46 CB ALA A 5 15.996 3.886 -6.849 1.00 2.05 C ATOM 0 H ALA A 5 16.021 6.894 -7.393 1.00 22.22 H new ATOM 0 HA ALA A 5 15.419 4.476 -8.822 1.00 24.35 H new ATOM 0 HB1 ALA A 5 15.317 3.034 -6.815 1.00 2.05 H new ATOM 0 HB2 ALA A 5 16.982 3.552 -7.173 1.00 2.05 H new ATOM 0 HB3 ALA A 5 16.072 4.329 -5.856 1.00 2.05 H new ATOM 52 N SER A 6 13.179 4.364 -7.236 1.00 50.22 N ATOM 53 CA SER A 6 11.797 4.636 -6.862 1.00 72.34 C ATOM 54 C SER A 6 11.075 5.398 -7.969 1.00 35.14 C ATOM 55 O SER A 6 11.666 5.736 -8.995 1.00 11.32 O ATOM 56 CB SER A 6 11.746 5.438 -5.560 1.00 51.04 C ATOM 57 OG SER A 6 10.581 5.129 -4.815 1.00 43.34 O ATOM 0 H SER A 6 13.404 3.373 -7.326 1.00 50.22 H new ATOM 0 HA SER A 6 11.293 3.681 -6.712 1.00 72.34 H new ATOM 0 HB2 SER A 6 12.631 5.223 -4.962 1.00 51.04 H new ATOM 0 HB3 SER A 6 11.765 6.504 -5.785 1.00 51.04 H new ATOM 0 HG SER A 6 10.573 5.653 -3.987 1.00 43.34 H new ATOM 63 N VAL A 7 9.790 5.667 -7.754 1.00 12.25 N ATOM 64 CA VAL A 7 8.986 6.389 -8.732 1.00 21.14 C ATOM 65 C VAL A 7 9.441 7.839 -8.855 1.00 53.24 C ATOM 66 O VAL A 7 9.706 8.328 -9.954 1.00 54.04 O ATOM 67 CB VAL A 7 7.491 6.360 -8.361 1.00 24.30 C ATOM 68 CG1 VAL A 7 6.654 6.978 -9.470 1.00 35.53 C ATOM 69 CG2 VAL A 7 7.042 4.937 -8.073 1.00 50.13 C ATOM 0 H VAL A 7 9.284 5.395 -6.911 1.00 12.25 H new ATOM 0 HA VAL A 7 9.125 5.886 -9.689 1.00 21.14 H new ATOM 0 HB VAL A 7 7.347 6.952 -7.457 1.00 24.30 H new ATOM 0 HG11 VAL A 7 5.601 6.949 -9.190 1.00 35.53 H new ATOM 0 HG12 VAL A 7 6.960 8.013 -9.623 1.00 35.53 H new ATOM 0 HG13 VAL A 7 6.800 6.416 -10.392 1.00 35.53 H new ATOM 0 HG21 VAL A 7 5.984 4.935 -7.813 1.00 50.13 H new ATOM 0 HG22 VAL A 7 7.199 4.320 -8.958 1.00 50.13 H new ATOM 0 HG23 VAL A 7 7.621 4.534 -7.242 1.00 50.13 H new ATOM 79 N LEU A 8 9.529 8.523 -7.719 1.00 63.24 N ATOM 80 CA LEU A 8 9.953 9.919 -7.696 1.00 15.05 C ATOM 81 C LEU A 8 11.264 10.078 -6.934 1.00 73.40 C ATOM 82 O LEU A 8 11.401 9.600 -5.808 1.00 12.54 O ATOM 83 CB LEU A 8 8.869 10.791 -7.060 1.00 63.50 C ATOM 84 CG LEU A 8 7.508 10.786 -7.756 1.00 52.14 C ATOM 85 CD1 LEU A 8 6.507 11.624 -6.976 1.00 31.22 C ATOM 86 CD2 LEU A 8 7.636 11.296 -9.183 1.00 33.13 C ATOM 0 H LEU A 8 9.312 8.133 -6.802 1.00 63.24 H new ATOM 0 HA LEU A 8 10.112 10.242 -8.725 1.00 15.05 H new ATOM 0 HB2 LEU A 8 8.728 10.466 -6.029 1.00 63.50 H new ATOM 0 HB3 LEU A 8 9.232 11.818 -7.024 1.00 63.50 H new ATOM 0 HG LEU A 8 7.143 9.759 -7.790 1.00 52.14 H new ATOM 0 HD11 LEU A 8 5.544 11.609 -7.486 1.00 31.22 H new ATOM 0 HD12 LEU A 8 6.393 11.214 -5.973 1.00 31.22 H new ATOM 0 HD13 LEU A 8 6.866 12.651 -6.909 1.00 31.22 H new ATOM 0 HD21 LEU A 8 6.657 11.285 -9.662 1.00 33.13 H new ATOM 0 HD22 LEU A 8 8.023 12.315 -9.172 1.00 33.13 H new ATOM 0 HD23 LEU A 8 8.319 10.654 -9.739 1.00 33.13 H new ATOM 98 N SER A 9 12.225 10.755 -7.554 1.00 32.41 N ATOM 99 CA SER A 9 13.526 10.976 -6.935 1.00 71.44 C ATOM 100 C SER A 9 13.498 12.212 -6.041 1.00 42.02 C ATOM 101 O SER A 9 12.463 12.859 -5.887 1.00 13.05 O ATOM 102 CB SER A 9 14.605 11.133 -8.007 1.00 25.32 C ATOM 103 OG SER A 9 14.847 12.500 -8.292 1.00 3.10 O ATOM 0 H SER A 9 12.127 11.160 -8.485 1.00 32.41 H new ATOM 0 HA SER A 9 13.760 10.108 -6.319 1.00 71.44 H new ATOM 0 HB2 SER A 9 15.528 10.660 -7.671 1.00 25.32 H new ATOM 0 HB3 SER A 9 14.296 10.618 -8.917 1.00 25.32 H new ATOM 0 HG SER A 9 15.542 12.573 -8.979 1.00 3.10 H new ATOM 109 N GLY A 10 14.647 12.534 -5.451 1.00 34.35 N ATOM 110 CA GLY A 10 14.734 13.691 -4.579 1.00 72.30 C ATOM 111 C GLY A 10 14.215 14.954 -5.238 1.00 74.03 C ATOM 112 O GLY A 10 13.445 15.705 -4.638 1.00 12.43 O ATOM 0 H GLY A 10 15.518 12.014 -5.562 1.00 34.35 H new ATOM 0 HA2 GLY A 10 14.165 13.500 -3.669 1.00 72.30 H new ATOM 0 HA3 GLY A 10 15.772 13.840 -4.281 1.00 72.30 H new ATOM 116 N GLY A 11 14.638 15.191 -6.476 1.00 72.12 N ATOM 117 CA GLY A 11 14.201 16.374 -7.195 1.00 65.03 C ATOM 118 C GLY A 11 12.743 16.302 -7.599 1.00 14.04 C ATOM 119 O GLY A 11 11.986 17.248 -7.386 1.00 33.13 O ATOM 0 H GLY A 11 15.275 14.586 -6.994 1.00 72.12 H new ATOM 0 HA2 GLY A 11 14.359 17.253 -6.571 1.00 65.03 H new ATOM 0 HA3 GLY A 11 14.816 16.501 -8.086 1.00 65.03 H new ATOM 123 N GLU A 12 12.347 15.176 -8.186 1.00 50.14 N ATOM 124 CA GLU A 12 10.970 14.986 -8.623 1.00 74.44 C ATOM 125 C GLU A 12 10.004 15.107 -7.448 1.00 73.21 C ATOM 126 O GLU A 12 8.908 15.652 -7.583 1.00 73.20 O ATOM 127 CB GLU A 12 10.807 13.620 -9.292 1.00 2.11 C ATOM 128 CG GLU A 12 11.869 13.324 -10.337 1.00 1.41 C ATOM 129 CD GLU A 12 11.642 12.000 -11.041 1.00 44.32 C ATOM 130 OE1 GLU A 12 11.996 10.952 -10.460 1.00 63.10 O ATOM 131 OE2 GLU A 12 11.112 12.011 -12.171 1.00 65.51 O ATOM 0 H GLU A 12 12.961 14.382 -8.369 1.00 50.14 H new ATOM 0 HA GLU A 12 10.735 15.767 -9.346 1.00 74.44 H new ATOM 0 HB2 GLU A 12 10.836 12.844 -8.527 1.00 2.11 H new ATOM 0 HB3 GLU A 12 9.824 13.569 -9.760 1.00 2.11 H new ATOM 0 HG2 GLU A 12 11.881 14.126 -11.075 1.00 1.41 H new ATOM 0 HG3 GLU A 12 12.849 13.315 -9.861 1.00 1.41 H new ATOM 138 N LEU A 13 10.419 14.594 -6.295 1.00 74.43 N ATOM 139 CA LEU A 13 9.591 14.643 -5.093 1.00 5.24 C ATOM 140 C LEU A 13 9.108 16.064 -4.823 1.00 32.20 C ATOM 141 O LEU A 13 7.922 16.292 -4.581 1.00 33.22 O ATOM 142 CB LEU A 13 10.375 14.121 -3.889 1.00 60.52 C ATOM 143 CG LEU A 13 9.560 13.851 -2.624 1.00 52.24 C ATOM 144 CD1 LEU A 13 8.464 12.834 -2.902 1.00 32.53 C ATOM 145 CD2 LEU A 13 10.465 13.367 -1.499 1.00 31.21 C ATOM 0 H LEU A 13 11.323 14.139 -6.166 1.00 74.43 H new ATOM 0 HA LEU A 13 8.720 14.008 -5.255 1.00 5.24 H new ATOM 0 HB2 LEU A 13 10.875 13.197 -4.179 1.00 60.52 H new ATOM 0 HB3 LEU A 13 11.155 14.843 -3.648 1.00 60.52 H new ATOM 0 HG LEU A 13 9.091 14.784 -2.311 1.00 52.24 H new ATOM 0 HD11 LEU A 13 7.894 12.654 -1.990 1.00 32.53 H new ATOM 0 HD12 LEU A 13 7.799 13.218 -3.676 1.00 32.53 H new ATOM 0 HD13 LEU A 13 8.912 11.900 -3.240 1.00 32.53 H new ATOM 0 HD21 LEU A 13 9.868 13.180 -0.607 1.00 31.21 H new ATOM 0 HD22 LEU A 13 10.962 12.446 -1.803 1.00 31.21 H new ATOM 0 HD23 LEU A 13 11.214 14.129 -1.281 1.00 31.21 H new ATOM 157 N ASP A 14 10.033 17.017 -4.869 1.00 72.24 N ATOM 158 CA ASP A 14 9.700 18.417 -4.631 1.00 5.03 C ATOM 159 C ASP A 14 8.517 18.848 -5.492 1.00 50.44 C ATOM 160 O ASP A 14 7.549 19.423 -4.993 1.00 30.33 O ATOM 161 CB ASP A 14 10.910 19.307 -4.923 1.00 3.13 C ATOM 162 CG ASP A 14 10.945 20.543 -4.047 1.00 13.31 C ATOM 163 OD1 ASP A 14 9.927 21.263 -3.996 1.00 35.43 O ATOM 164 OD2 ASP A 14 11.991 20.790 -3.410 1.00 32.03 O ATOM 0 H ASP A 14 11.018 16.846 -5.069 1.00 72.24 H new ATOM 0 HA ASP A 14 9.422 18.526 -3.583 1.00 5.03 H new ATOM 0 HB2 ASP A 14 11.824 18.733 -4.773 1.00 3.13 H new ATOM 0 HB3 ASP A 14 10.891 19.608 -5.970 1.00 3.13 H new ATOM 169 N LYS A 15 8.601 18.567 -6.788 1.00 42.51 N ATOM 170 CA LYS A 15 7.538 18.924 -7.719 1.00 73.10 C ATOM 171 C LYS A 15 6.228 18.240 -7.339 1.00 61.31 C ATOM 172 O LYS A 15 5.197 18.895 -7.187 1.00 74.41 O ATOM 173 CB LYS A 15 7.930 18.538 -9.147 1.00 23.01 C ATOM 174 CG LYS A 15 8.811 19.568 -9.834 1.00 4.31 C ATOM 175 CD LYS A 15 9.535 18.972 -11.031 1.00 33.24 C ATOM 176 CE LYS A 15 10.954 18.556 -10.675 1.00 71.13 C ATOM 177 NZ LYS A 15 11.898 18.782 -11.804 1.00 51.41 N ATOM 0 H LYS A 15 9.395 18.093 -7.217 1.00 42.51 H new ATOM 0 HA LYS A 15 7.393 20.003 -7.667 1.00 73.10 H new ATOM 0 HB2 LYS A 15 8.452 17.581 -9.126 1.00 23.01 H new ATOM 0 HB3 LYS A 15 7.025 18.394 -9.737 1.00 23.01 H new ATOM 0 HG2 LYS A 15 8.201 20.411 -10.159 1.00 4.31 H new ATOM 0 HG3 LYS A 15 9.540 19.957 -9.123 1.00 4.31 H new ATOM 0 HD2 LYS A 15 8.983 18.107 -11.398 1.00 33.24 H new ATOM 0 HD3 LYS A 15 9.561 19.701 -11.841 1.00 33.24 H new ATOM 0 HE2 LYS A 15 11.289 19.118 -9.803 1.00 71.13 H new ATOM 0 HE3 LYS A 15 10.965 17.502 -10.398 1.00 71.13 H new ATOM 0 HZ1 LYS A 15 12.854 18.486 -11.522 1.00 51.41 H new ATOM 0 HZ2 LYS A 15 11.593 18.226 -12.628 1.00 51.41 H new ATOM 0 HZ3 LYS A 15 11.907 19.792 -12.052 1.00 51.41 H new ATOM 191 N TRP A 16 6.278 16.922 -7.185 1.00 61.34 N ATOM 192 CA TRP A 16 5.095 16.150 -6.821 1.00 70.34 C ATOM 193 C TRP A 16 4.375 16.785 -5.636 1.00 71.31 C ATOM 194 O TRP A 16 3.212 17.173 -5.742 1.00 73.21 O ATOM 195 CB TRP A 16 5.485 14.710 -6.484 1.00 63.44 C ATOM 196 CG TRP A 16 4.308 13.830 -6.186 1.00 32.43 C ATOM 197 CD1 TRP A 16 3.978 13.284 -4.980 1.00 72.54 C ATOM 198 CD2 TRP A 16 3.308 13.395 -7.113 1.00 3.34 C ATOM 199 NE1 TRP A 16 2.833 12.535 -5.100 1.00 34.02 N ATOM 200 CE2 TRP A 16 2.401 12.588 -6.399 1.00 31.10 C ATOM 201 CE3 TRP A 16 3.089 13.610 -8.477 1.00 45.12 C ATOM 202 CZ2 TRP A 16 1.296 11.995 -7.005 1.00 74.34 C ATOM 203 CZ3 TRP A 16 1.992 13.022 -9.076 1.00 11.11 C ATOM 204 CH2 TRP A 16 1.106 12.223 -8.340 1.00 11.12 C ATOM 0 H TRP A 16 7.124 16.366 -7.306 1.00 61.34 H new ATOM 0 HA TRP A 16 4.417 16.145 -7.675 1.00 70.34 H new ATOM 0 HB2 TRP A 16 6.043 14.287 -7.319 1.00 63.44 H new ATOM 0 HB3 TRP A 16 6.154 14.714 -5.623 1.00 63.44 H new ATOM 0 HD1 TRP A 16 4.535 13.421 -4.065 1.00 72.54 H new ATOM 0 HE1 TRP A 16 2.378 12.022 -4.345 1.00 34.02 H new ATOM 0 HE3 TRP A 16 3.765 14.225 -9.052 1.00 45.12 H new ATOM 0 HZ2 TRP A 16 0.613 11.377 -6.441 1.00 74.34 H new ATOM 0 HZ3 TRP A 16 1.814 13.181 -10.129 1.00 11.11 H new ATOM 0 HH2 TRP A 16 0.256 11.779 -8.837 1.00 11.12 H new ATOM 215 N GLU A 17 5.073 16.888 -4.510 1.00 61.23 N ATOM 216 CA GLU A 17 4.497 17.477 -3.306 1.00 52.44 C ATOM 217 C GLU A 17 4.024 18.903 -3.569 1.00 24.24 C ATOM 218 O GLU A 17 3.161 19.424 -2.864 1.00 63.42 O ATOM 219 CB GLU A 17 5.521 17.469 -2.169 1.00 55.35 C ATOM 220 CG GLU A 17 5.884 16.074 -1.687 1.00 23.42 C ATOM 221 CD GLU A 17 6.675 16.091 -0.393 1.00 34.33 C ATOM 222 OE1 GLU A 17 7.120 17.183 0.016 1.00 72.02 O ATOM 223 OE2 GLU A 17 6.847 15.011 0.210 1.00 72.12 O ATOM 0 H GLU A 17 6.037 16.572 -4.406 1.00 61.23 H new ATOM 0 HA GLU A 17 3.635 16.876 -3.015 1.00 52.44 H new ATOM 0 HB2 GLU A 17 6.426 17.976 -2.503 1.00 55.35 H new ATOM 0 HB3 GLU A 17 5.125 18.042 -1.331 1.00 55.35 H new ATOM 0 HG2 GLU A 17 4.972 15.495 -1.543 1.00 23.42 H new ATOM 0 HG3 GLU A 17 6.466 15.567 -2.457 1.00 23.42 H new ATOM 230 N LYS A 18 4.597 19.530 -4.592 1.00 31.02 N ATOM 231 CA LYS A 18 4.236 20.896 -4.952 1.00 61.34 C ATOM 232 C LYS A 18 2.843 20.946 -5.571 1.00 71.35 C ATOM 233 O LYS A 18 1.896 21.433 -4.952 1.00 64.42 O ATOM 234 CB LYS A 18 5.261 21.476 -5.929 1.00 23.52 C ATOM 235 CG LYS A 18 5.943 22.735 -5.420 1.00 13.45 C ATOM 236 CD LYS A 18 6.587 23.516 -6.552 1.00 3.44 C ATOM 237 CE LYS A 18 6.288 25.003 -6.445 1.00 52.30 C ATOM 238 NZ LYS A 18 6.985 25.787 -7.503 1.00 74.33 N ATOM 0 H LYS A 18 5.314 19.113 -5.186 1.00 31.02 H new ATOM 0 HA LYS A 18 4.231 21.495 -4.042 1.00 61.34 H new ATOM 0 HB2 LYS A 18 6.019 20.721 -6.137 1.00 23.52 H new ATOM 0 HB3 LYS A 18 4.765 21.698 -6.874 1.00 23.52 H new ATOM 0 HG2 LYS A 18 5.213 23.365 -4.911 1.00 13.45 H new ATOM 0 HG3 LYS A 18 6.701 22.467 -4.684 1.00 13.45 H new ATOM 0 HD2 LYS A 18 7.665 23.359 -6.536 1.00 3.44 H new ATOM 0 HD3 LYS A 18 6.224 23.139 -7.508 1.00 3.44 H new ATOM 0 HE2 LYS A 18 5.213 25.164 -6.523 1.00 52.30 H new ATOM 0 HE3 LYS A 18 6.594 25.365 -5.464 1.00 52.30 H new ATOM 0 HZ1 LYS A 18 6.755 26.796 -7.396 1.00 74.33 H new ATOM 0 HZ2 LYS A 18 8.013 25.654 -7.413 1.00 74.33 H new ATOM 0 HZ3 LYS A 18 6.674 25.459 -8.440 1.00 74.33 H new ATOM 252 N ILE A 19 2.725 20.437 -6.793 1.00 62.44 N ATOM 253 CA ILE A 19 1.447 20.423 -7.492 1.00 12.54 C ATOM 254 C ILE A 19 0.308 20.047 -6.550 1.00 43.21 C ATOM 255 O ILE A 19 0.493 19.260 -5.620 1.00 35.44 O ATOM 256 CB ILE A 19 1.465 19.437 -8.676 1.00 70.02 C ATOM 257 CG1 ILE A 19 2.650 19.734 -9.597 1.00 32.52 C ATOM 258 CG2 ILE A 19 0.156 19.511 -9.448 1.00 23.41 C ATOM 259 CD1 ILE A 19 3.587 18.560 -9.774 1.00 10.40 C ATOM 0 H ILE A 19 3.498 20.029 -7.318 1.00 62.44 H new ATOM 0 HA ILE A 19 1.283 21.432 -7.871 1.00 12.54 H new ATOM 0 HB ILE A 19 1.577 18.426 -8.285 1.00 70.02 H new ATOM 0 HG12 ILE A 19 2.273 20.038 -10.574 1.00 32.52 H new ATOM 0 HG13 ILE A 19 3.210 20.578 -9.194 1.00 32.52 H new ATOM 0 HG21 ILE A 19 0.185 18.809 -10.281 1.00 23.41 H new ATOM 0 HG22 ILE A 19 -0.672 19.256 -8.786 1.00 23.41 H new ATOM 0 HG23 ILE A 19 0.016 20.522 -9.831 1.00 23.41 H new ATOM 0 HD11 ILE A 19 4.403 18.843 -10.439 1.00 10.40 H new ATOM 0 HD12 ILE A 19 3.993 18.269 -8.805 1.00 10.40 H new ATOM 0 HD13 ILE A 19 3.041 17.721 -10.206 1.00 10.40 H new ATOM 271 N ARG A 20 -0.868 20.611 -6.798 1.00 15.24 N ATOM 272 CA ARG A 20 -2.038 20.335 -5.972 1.00 22.43 C ATOM 273 C ARG A 20 -3.112 19.608 -6.777 1.00 61.52 C ATOM 274 O ARG A 20 -3.058 19.563 -8.006 1.00 13.51 O ATOM 275 CB ARG A 20 -2.605 21.636 -5.402 1.00 33.33 C ATOM 276 CG ARG A 20 -1.712 22.285 -4.358 1.00 4.13 C ATOM 277 CD ARG A 20 -2.079 23.744 -4.140 1.00 63.12 C ATOM 278 NE ARG A 20 -0.905 24.613 -4.164 1.00 0.31 N ATOM 279 CZ ARG A 20 -0.060 24.735 -3.146 1.00 24.23 C ATOM 280 NH1 ARG A 20 -0.257 24.048 -2.031 1.00 41.22 N ATOM 281 NH2 ARG A 20 0.986 25.546 -3.244 1.00 22.15 N ATOM 0 H ARG A 20 -1.037 21.262 -7.564 1.00 15.24 H new ATOM 0 HA ARG A 20 -1.727 19.692 -5.149 1.00 22.43 H new ATOM 0 HB2 ARG A 20 -2.766 22.340 -6.218 1.00 33.33 H new ATOM 0 HB3 ARG A 20 -3.580 21.434 -4.958 1.00 33.33 H new ATOM 0 HG2 ARG A 20 -1.798 21.743 -3.416 1.00 4.13 H new ATOM 0 HG3 ARG A 20 -0.671 22.214 -4.673 1.00 4.13 H new ATOM 0 HD2 ARG A 20 -2.780 24.061 -4.912 1.00 63.12 H new ATOM 0 HD3 ARG A 20 -2.589 23.850 -3.183 1.00 63.12 H new ATOM 0 HE ARG A 20 -0.724 25.156 -5.008 1.00 0.31 H new ATOM 0 HH11 ARG A 20 -1.059 23.423 -1.952 1.00 41.22 H new ATOM 0 HH12 ARG A 20 0.394 24.144 -1.251 1.00 41.22 H new ATOM 0 HH21 ARG A 20 1.142 26.076 -4.101 1.00 22.15 H new ATOM 0 HH22 ARG A 20 1.634 25.639 -2.462 1.00 22.15 H new ATOM 295 N LEU A 21 -4.086 19.040 -6.075 1.00 74.34 N ATOM 296 CA LEU A 21 -5.174 18.315 -6.722 1.00 71.32 C ATOM 297 C LEU A 21 -6.083 19.269 -7.491 1.00 53.55 C ATOM 298 O LEU A 21 -6.545 18.953 -8.586 1.00 33.25 O ATOM 299 CB LEU A 21 -5.987 17.542 -5.683 1.00 52.14 C ATOM 300 CG LEU A 21 -5.185 16.684 -4.704 1.00 60.31 C ATOM 301 CD1 LEU A 21 -5.927 16.545 -3.384 1.00 62.21 C ATOM 302 CD2 LEU A 21 -4.898 15.316 -5.304 1.00 12.12 C ATOM 0 H LEU A 21 -4.145 19.067 -5.057 1.00 74.34 H new ATOM 0 HA LEU A 21 -4.738 17.610 -7.430 1.00 71.32 H new ATOM 0 HB2 LEU A 21 -6.578 18.256 -5.109 1.00 52.14 H new ATOM 0 HB3 LEU A 21 -6.690 16.896 -6.209 1.00 52.14 H new ATOM 0 HG LEU A 21 -4.234 17.180 -4.512 1.00 60.31 H new ATOM 0 HD11 LEU A 21 -5.341 15.931 -2.700 1.00 62.21 H new ATOM 0 HD12 LEU A 21 -6.079 17.532 -2.946 1.00 62.21 H new ATOM 0 HD13 LEU A 21 -6.894 16.072 -3.558 1.00 62.21 H new ATOM 0 HD21 LEU A 21 -4.326 14.719 -4.593 1.00 12.12 H new ATOM 0 HD22 LEU A 21 -5.838 14.812 -5.527 1.00 12.12 H new ATOM 0 HD23 LEU A 21 -4.323 15.435 -6.222 1.00 12.12 H new ATOM 314 N ARG A 22 -6.334 20.437 -6.908 1.00 4.44 N ATOM 315 CA ARG A 22 -7.187 21.437 -7.539 1.00 41.13 C ATOM 316 C ARG A 22 -6.406 22.716 -7.824 1.00 62.24 C ATOM 317 O ARG A 22 -5.378 22.997 -7.205 1.00 54.42 O ATOM 318 CB ARG A 22 -8.389 21.749 -6.645 1.00 63.13 C ATOM 319 CG ARG A 22 -9.573 20.824 -6.872 1.00 33.14 C ATOM 320 CD ARG A 22 -10.628 20.994 -5.790 1.00 15.50 C ATOM 321 NE ARG A 22 -11.978 21.055 -6.346 1.00 22.42 N ATOM 322 CZ ARG A 22 -13.047 21.403 -5.640 1.00 12.04 C ATOM 323 NH1 ARG A 22 -12.927 21.719 -4.358 1.00 50.40 N ATOM 324 NH2 ARG A 22 -14.242 21.437 -6.217 1.00 21.11 N ATOM 0 H ARG A 22 -5.959 20.714 -6.001 1.00 4.44 H new ATOM 0 HA ARG A 22 -7.542 21.030 -8.486 1.00 41.13 H new ATOM 0 HB2 ARG A 22 -8.082 21.683 -5.601 1.00 63.13 H new ATOM 0 HB3 ARG A 22 -8.704 22.778 -6.820 1.00 63.13 H new ATOM 0 HG2 ARG A 22 -10.014 21.029 -7.847 1.00 33.14 H new ATOM 0 HG3 ARG A 22 -9.230 19.789 -6.888 1.00 33.14 H new ATOM 0 HD2 ARG A 22 -10.563 20.164 -5.087 1.00 15.50 H new ATOM 0 HD3 ARG A 22 -10.426 21.905 -5.227 1.00 15.50 H new ATOM 0 HE ARG A 22 -12.106 20.817 -7.330 1.00 22.42 H new ATOM 0 HH11 ARG A 22 -12.011 21.695 -3.911 1.00 50.40 H new ATOM 0 HH12 ARG A 22 -13.751 21.986 -3.819 1.00 50.40 H new ATOM 0 HH21 ARG A 22 -14.339 21.196 -7.203 1.00 21.11 H new ATOM 0 HH22 ARG A 22 -15.063 21.704 -5.674 1.00 21.11 H new ATOM 338 N PRO A 23 -6.902 23.512 -8.781 1.00 32.15 N ATOM 339 CA PRO A 23 -6.266 24.775 -9.170 1.00 33.11 C ATOM 340 C PRO A 23 -6.385 25.841 -8.087 1.00 13.21 C ATOM 341 O PRO A 23 -5.464 26.628 -7.873 1.00 2.14 O ATOM 342 CB PRO A 23 -7.044 25.194 -10.421 1.00 55.21 C ATOM 343 CG PRO A 23 -8.375 24.539 -10.276 1.00 71.35 C ATOM 344 CD PRO A 23 -8.122 23.242 -9.560 1.00 12.44 C ATOM 0 HA PRO A 23 -5.195 24.658 -9.337 1.00 33.11 H new ATOM 0 HB2 PRO A 23 -7.141 26.278 -10.483 1.00 55.21 H new ATOM 0 HB3 PRO A 23 -6.539 24.867 -11.330 1.00 55.21 H new ATOM 0 HG2 PRO A 23 -9.061 25.170 -9.710 1.00 71.35 H new ATOM 0 HG3 PRO A 23 -8.832 24.364 -11.250 1.00 71.35 H new ATOM 0 HD2 PRO A 23 -8.958 22.970 -8.915 1.00 12.44 H new ATOM 0 HD3 PRO A 23 -7.978 22.419 -10.260 1.00 12.44 H new ATOM 352 N GLY A 24 -7.526 25.862 -7.406 1.00 31.11 N ATOM 353 CA GLY A 24 -7.744 26.835 -6.352 1.00 34.44 C ATOM 354 C GLY A 24 -7.937 26.189 -4.995 1.00 32.34 C ATOM 355 O GLY A 24 -8.772 26.626 -4.205 1.00 54.01 O ATOM 0 H GLY A 24 -8.304 25.222 -7.566 1.00 31.11 H new ATOM 0 HA2 GLY A 24 -6.894 27.515 -6.309 1.00 34.44 H new ATOM 0 HA3 GLY A 24 -8.621 27.436 -6.593 1.00 34.44 H new ATOM 359 N GLY A 25 -7.163 25.142 -4.725 1.00 75.34 N ATOM 360 CA GLY A 25 -7.270 24.450 -3.454 1.00 2.30 C ATOM 361 C GLY A 25 -6.057 24.666 -2.571 1.00 5.35 C ATOM 362 O GLY A 25 -5.128 25.385 -2.944 1.00 74.41 O ATOM 0 H GLY A 25 -6.464 24.761 -5.363 1.00 75.34 H new ATOM 0 HA2 GLY A 25 -8.162 24.794 -2.931 1.00 2.30 H new ATOM 0 HA3 GLY A 25 -7.398 23.383 -3.635 1.00 2.30 H new ATOM 366 N LYS A 26 -6.062 24.044 -1.397 1.00 11.12 N ATOM 367 CA LYS A 26 -4.953 24.171 -0.459 1.00 75.24 C ATOM 368 C LYS A 26 -4.303 22.817 -0.197 1.00 50.34 C ATOM 369 O LYS A 26 -3.345 22.714 0.569 1.00 53.54 O ATOM 370 CB LYS A 26 -5.443 24.777 0.860 1.00 24.35 C ATOM 371 CG LYS A 26 -4.528 25.859 1.408 1.00 31.13 C ATOM 372 CD LYS A 26 -4.512 25.859 2.927 1.00 53.12 C ATOM 373 CE LYS A 26 -3.198 26.401 3.471 1.00 13.42 C ATOM 374 NZ LYS A 26 -3.412 27.311 4.630 1.00 23.14 N ATOM 0 H LYS A 26 -6.822 23.447 -1.072 1.00 11.12 H new ATOM 0 HA LYS A 26 -4.208 24.831 -0.903 1.00 75.24 H new ATOM 0 HB2 LYS A 26 -6.438 25.196 0.711 1.00 24.35 H new ATOM 0 HB3 LYS A 26 -5.539 23.984 1.601 1.00 24.35 H new ATOM 0 HG2 LYS A 26 -3.516 25.706 1.033 1.00 31.13 H new ATOM 0 HG3 LYS A 26 -4.858 26.833 1.047 1.00 31.13 H new ATOM 0 HD2 LYS A 26 -5.339 26.463 3.301 1.00 53.12 H new ATOM 0 HD3 LYS A 26 -4.668 24.844 3.294 1.00 53.12 H new ATOM 0 HE2 LYS A 26 -2.560 25.571 3.774 1.00 13.42 H new ATOM 0 HE3 LYS A 26 -2.671 26.936 2.681 1.00 13.42 H new ATOM 0 HZ1 LYS A 26 -2.494 27.659 4.972 1.00 23.14 H new ATOM 0 HZ2 LYS A 26 -4.000 28.117 4.335 1.00 23.14 H new ATOM 0 HZ3 LYS A 26 -3.892 26.793 5.394 1.00 23.14 H new ATOM 388 N LYS A 27 -4.829 21.779 -0.839 1.00 1.02 N ATOM 389 CA LYS A 27 -4.299 20.430 -0.679 1.00 31.32 C ATOM 390 C LYS A 27 -3.307 20.100 -1.790 1.00 14.13 C ATOM 391 O LYS A 27 -3.608 20.271 -2.972 1.00 21.31 O ATOM 392 CB LYS A 27 -5.438 19.410 -0.676 1.00 2.54 C ATOM 393 CG LYS A 27 -5.119 18.143 0.099 1.00 3.54 C ATOM 394 CD LYS A 27 -6.291 17.177 0.098 1.00 34.31 C ATOM 395 CE LYS A 27 -7.402 17.648 1.024 1.00 40.24 C ATOM 396 NZ LYS A 27 -8.645 16.846 0.853 1.00 42.51 N ATOM 0 H LYS A 27 -5.623 21.847 -1.476 1.00 1.02 H new ATOM 0 HA LYS A 27 -3.776 20.382 0.276 1.00 31.32 H new ATOM 0 HB2 LYS A 27 -6.328 19.873 -0.249 1.00 2.54 H new ATOM 0 HB3 LYS A 27 -5.680 19.145 -1.705 1.00 2.54 H new ATOM 0 HG2 LYS A 27 -4.247 17.658 -0.339 1.00 3.54 H new ATOM 0 HG3 LYS A 27 -4.859 18.400 1.126 1.00 3.54 H new ATOM 0 HD2 LYS A 27 -6.679 17.075 -0.915 1.00 34.31 H new ATOM 0 HD3 LYS A 27 -5.950 16.190 0.409 1.00 34.31 H new ATOM 0 HE2 LYS A 27 -7.066 17.580 2.059 1.00 40.24 H new ATOM 0 HE3 LYS A 27 -7.618 18.698 0.827 1.00 40.24 H new ATOM 0 HZ1 LYS A 27 -9.378 17.198 1.502 1.00 42.51 H new ATOM 0 HZ2 LYS A 27 -8.981 16.931 -0.128 1.00 42.51 H new ATOM 0 HZ3 LYS A 27 -8.446 15.848 1.065 1.00 42.51 H new ATOM 410 N GLN A 28 -2.128 19.626 -1.403 1.00 2.23 N ATOM 411 CA GLN A 28 -1.094 19.270 -2.369 1.00 61.53 C ATOM 412 C GLN A 28 -1.074 17.766 -2.617 1.00 61.34 C ATOM 413 O GLN A 28 -1.861 17.020 -2.033 1.00 13.02 O ATOM 414 CB GLN A 28 0.276 19.737 -1.874 1.00 44.54 C ATOM 415 CG GLN A 28 0.250 21.102 -1.206 1.00 22.34 C ATOM 416 CD GLN A 28 0.380 21.017 0.302 1.00 51.51 C ATOM 417 OE1 GLN A 28 -0.577 21.275 1.034 1.00 3.31 O ATOM 418 NE2 GLN A 28 1.565 20.652 0.775 1.00 62.34 N ATOM 0 H GLN A 28 -1.864 19.479 -0.429 1.00 2.23 H new ATOM 0 HA GLN A 28 -1.323 19.770 -3.310 1.00 61.53 H new ATOM 0 HB2 GLN A 28 0.667 19.004 -1.168 1.00 44.54 H new ATOM 0 HB3 GLN A 28 0.966 19.768 -2.717 1.00 44.54 H new ATOM 0 HG2 GLN A 28 1.062 21.712 -1.603 1.00 22.34 H new ATOM 0 HG3 GLN A 28 -0.682 21.608 -1.458 1.00 22.34 H new ATOM 0 HE21 GLN A 28 2.330 20.448 0.132 1.00 62.34 H new ATOM 0 HE22 GLN A 28 1.711 20.576 1.782 1.00 62.34 H new ATOM 427 N TYR A 29 -0.169 17.327 -3.485 1.00 54.33 N ATOM 428 CA TYR A 29 -0.049 15.911 -3.811 1.00 31.41 C ATOM 429 C TYR A 29 0.861 15.197 -2.816 1.00 72.52 C ATOM 430 O TYR A 29 1.817 15.778 -2.304 1.00 63.41 O ATOM 431 CB TYR A 29 0.494 15.738 -5.230 1.00 3.15 C ATOM 432 CG TYR A 29 -0.581 15.493 -6.265 1.00 52.40 C ATOM 433 CD1 TYR A 29 -1.247 14.275 -6.327 1.00 1.45 C ATOM 434 CD2 TYR A 29 -0.930 16.477 -7.180 1.00 30.13 C ATOM 435 CE1 TYR A 29 -2.229 14.045 -7.271 1.00 74.22 C ATOM 436 CE2 TYR A 29 -1.912 16.257 -8.126 1.00 31.23 C ATOM 437 CZ TYR A 29 -2.558 15.039 -8.168 1.00 34.42 C ATOM 438 OH TYR A 29 -3.537 14.816 -9.110 1.00 41.53 O ATOM 0 H TYR A 29 0.491 17.931 -3.975 1.00 54.33 H new ATOM 0 HA TYR A 29 -1.042 15.465 -3.751 1.00 31.41 H new ATOM 0 HB2 TYR A 29 1.056 16.630 -5.506 1.00 3.15 H new ATOM 0 HB3 TYR A 29 1.195 14.904 -5.242 1.00 3.15 H new ATOM 0 HD1 TYR A 29 -0.993 13.495 -5.625 1.00 1.45 H new ATOM 0 HD2 TYR A 29 -0.425 17.431 -7.152 1.00 30.13 H new ATOM 0 HE1 TYR A 29 -2.736 13.092 -7.306 1.00 74.22 H new ATOM 0 HE2 TYR A 29 -2.173 17.034 -8.829 1.00 31.23 H new ATOM 0 HH TYR A 29 -4.411 14.770 -8.669 1.00 41.53 H new ATOM 448 N LYS A 30 0.556 13.932 -2.548 1.00 61.14 N ATOM 449 CA LYS A 30 1.346 13.136 -1.616 1.00 60.24 C ATOM 450 C LYS A 30 1.481 11.699 -2.108 1.00 63.20 C ATOM 451 O LYS A 30 0.820 11.295 -3.065 1.00 43.34 O ATOM 452 CB LYS A 30 0.703 13.153 -0.227 1.00 12.42 C ATOM 453 CG LYS A 30 1.572 13.799 0.839 1.00 33.33 C ATOM 454 CD LYS A 30 0.796 14.032 2.124 1.00 71.32 C ATOM 455 CE LYS A 30 1.234 15.316 2.813 1.00 31.53 C ATOM 456 NZ LYS A 30 0.109 15.965 3.542 1.00 50.04 N ATOM 0 H LYS A 30 -0.233 13.436 -2.963 1.00 61.14 H new ATOM 0 HA LYS A 30 2.342 13.575 -1.554 1.00 60.24 H new ATOM 0 HB2 LYS A 30 -0.246 13.686 -0.282 1.00 12.42 H new ATOM 0 HB3 LYS A 30 0.477 12.129 0.072 1.00 12.42 H new ATOM 0 HG2 LYS A 30 2.433 13.162 1.043 1.00 33.33 H new ATOM 0 HG3 LYS A 30 1.958 14.749 0.469 1.00 33.33 H new ATOM 0 HD2 LYS A 30 -0.270 14.082 1.903 1.00 71.32 H new ATOM 0 HD3 LYS A 30 0.943 13.188 2.798 1.00 71.32 H new ATOM 0 HE2 LYS A 30 2.041 15.096 3.512 1.00 31.53 H new ATOM 0 HE3 LYS A 30 1.634 16.008 2.072 1.00 31.53 H new ATOM 0 HZ1 LYS A 30 0.447 16.836 3.998 1.00 50.04 H new ATOM 0 HZ2 LYS A 30 -0.651 16.198 2.871 1.00 50.04 H new ATOM 0 HZ3 LYS A 30 -0.256 15.315 4.267 1.00 50.04 H new ATOM 470 N LEU A 31 2.340 10.931 -1.447 1.00 3.13 N ATOM 471 CA LEU A 31 2.562 9.537 -1.817 1.00 53.52 C ATOM 472 C LEU A 31 1.242 8.775 -1.881 1.00 13.24 C ATOM 473 O LEU A 31 1.046 7.924 -2.750 1.00 75.21 O ATOM 474 CB LEU A 31 3.502 8.866 -0.814 1.00 11.30 C ATOM 475 CG LEU A 31 4.915 9.444 -0.729 1.00 4.02 C ATOM 476 CD1 LEU A 31 5.516 9.186 0.644 1.00 1.50 C ATOM 477 CD2 LEU A 31 5.799 8.854 -1.818 1.00 3.04 C ATOM 0 H LEU A 31 2.894 11.250 -0.652 1.00 3.13 H new ATOM 0 HA LEU A 31 3.021 9.517 -2.805 1.00 53.52 H new ATOM 0 HB2 LEU A 31 3.047 8.924 0.175 1.00 11.30 H new ATOM 0 HB3 LEU A 31 3.578 7.809 -1.069 1.00 11.30 H new ATOM 0 HG LEU A 31 4.855 10.522 -0.881 1.00 4.02 H new ATOM 0 HD11 LEU A 31 6.522 9.604 0.685 1.00 1.50 H new ATOM 0 HD12 LEU A 31 4.896 9.656 1.407 1.00 1.50 H new ATOM 0 HD13 LEU A 31 5.562 8.112 0.825 1.00 1.50 H new ATOM 0 HD21 LEU A 31 6.801 9.277 -1.742 1.00 3.04 H new ATOM 0 HD22 LEU A 31 5.852 7.772 -1.697 1.00 3.04 H new ATOM 0 HD23 LEU A 31 5.379 9.090 -2.796 1.00 3.04 H new ATOM 489 N LYS A 32 0.339 9.087 -0.959 1.00 52.32 N ATOM 490 CA LYS A 32 -0.965 8.434 -0.912 1.00 61.41 C ATOM 491 C LYS A 32 -1.597 8.383 -2.299 1.00 34.23 C ATOM 492 O LYS A 32 -2.324 7.444 -2.627 1.00 72.43 O ATOM 493 CB LYS A 32 -1.892 9.173 0.056 1.00 12.42 C ATOM 494 CG LYS A 32 -1.411 9.149 1.497 1.00 12.34 C ATOM 495 CD LYS A 32 -2.575 9.101 2.472 1.00 55.13 C ATOM 496 CE LYS A 32 -2.093 8.983 3.910 1.00 71.40 C ATOM 497 NZ LYS A 32 -2.596 10.101 4.757 1.00 74.11 N ATOM 0 H LYS A 32 0.485 9.788 -0.233 1.00 52.32 H new ATOM 0 HA LYS A 32 -0.821 7.413 -0.560 1.00 61.41 H new ATOM 0 HB2 LYS A 32 -1.991 10.209 -0.268 1.00 12.42 H new ATOM 0 HB3 LYS A 32 -2.886 8.727 0.006 1.00 12.42 H new ATOM 0 HG2 LYS A 32 -0.769 8.282 1.653 1.00 12.34 H new ATOM 0 HG3 LYS A 32 -0.806 10.034 1.694 1.00 12.34 H new ATOM 0 HD2 LYS A 32 -3.180 10.001 2.363 1.00 55.13 H new ATOM 0 HD3 LYS A 32 -3.218 8.254 2.232 1.00 55.13 H new ATOM 0 HE2 LYS A 32 -2.426 8.033 4.328 1.00 71.40 H new ATOM 0 HE3 LYS A 32 -1.003 8.975 3.928 1.00 71.40 H new ATOM 0 HZ1 LYS A 32 -2.246 9.985 5.729 1.00 74.11 H new ATOM 0 HZ2 LYS A 32 -2.258 11.007 4.373 1.00 74.11 H new ATOM 0 HZ3 LYS A 32 -3.636 10.093 4.760 1.00 74.11 H new ATOM 511 N HIS A 33 -1.315 9.397 -3.111 1.00 24.14 N ATOM 512 CA HIS A 33 -1.855 9.467 -4.465 1.00 3.54 C ATOM 513 C HIS A 33 -1.123 8.499 -5.391 1.00 41.22 C ATOM 514 O HIS A 33 -1.782 7.961 -6.281 1.00 44.34 O ATOM 515 CB HIS A 33 -1.745 10.892 -5.009 1.00 4.53 C ATOM 516 CG HIS A 33 -2.530 11.895 -4.221 1.00 64.20 C ATOM 517 ND1 HIS A 33 -1.940 12.852 -3.422 1.00 12.12 N ATOM 518 CD2 HIS A 33 -3.865 12.087 -4.114 1.00 62.23 C ATOM 519 CE1 HIS A 33 -2.880 13.589 -2.857 1.00 31.05 C ATOM 520 NE2 HIS A 33 -4.057 13.146 -3.261 1.00 0.13 N ATOM 0 H HIS A 33 -0.716 10.182 -2.855 1.00 24.14 H new ATOM 0 HA HIS A 33 -2.906 9.182 -4.426 1.00 3.54 H new ATOM 0 HB2 HIS A 33 -0.696 11.189 -5.018 1.00 4.53 H new ATOM 0 HB3 HIS A 33 -2.089 10.905 -6.043 1.00 4.53 H new ATOM 0 HD2 HIS A 33 -4.636 11.514 -4.608 1.00 62.23 H new ATOM 0 HE1 HIS A 33 -2.714 14.414 -2.180 1.00 31.05 H new ATOM 0 HE2 HIS A 33 -4.961 13.528 -2.984 1.00 0.13 H new ATOM 528 N ILE A 34 0.174 8.271 -5.211 1.00 11.24 N ATOM 529 CA ILE A 34 0.913 7.355 -6.070 1.00 4.42 C ATOM 530 C ILE A 34 0.744 5.911 -5.609 1.00 64.03 C ATOM 531 O ILE A 34 0.387 5.034 -6.395 1.00 54.12 O ATOM 532 CB ILE A 34 2.415 7.699 -6.101 1.00 35.22 C ATOM 533 CG1 ILE A 34 2.619 9.141 -6.571 1.00 1.33 C ATOM 534 CG2 ILE A 34 3.163 6.730 -7.004 1.00 13.12 C ATOM 535 CD1 ILE A 34 4.073 9.553 -6.639 1.00 72.35 C ATOM 0 H ILE A 34 0.734 8.708 -4.479 1.00 11.24 H new ATOM 0 HA ILE A 34 0.502 7.464 -7.074 1.00 4.42 H new ATOM 0 HB ILE A 34 2.816 7.605 -5.092 1.00 35.22 H new ATOM 0 HG12 ILE A 34 2.169 9.261 -7.557 1.00 1.33 H new ATOM 0 HG13 ILE A 34 2.090 9.813 -5.895 1.00 1.33 H new ATOM 0 HG21 ILE A 34 4.222 6.987 -7.015 1.00 13.12 H new ATOM 0 HG22 ILE A 34 3.040 5.714 -6.629 1.00 13.12 H new ATOM 0 HG23 ILE A 34 2.764 6.794 -8.016 1.00 13.12 H new ATOM 0 HD11 ILE A 34 4.143 10.586 -6.979 1.00 72.35 H new ATOM 0 HD12 ILE A 34 4.523 9.466 -5.650 1.00 72.35 H new ATOM 0 HD13 ILE A 34 4.603 8.904 -7.337 1.00 72.35 H new ATOM 547 N VAL A 35 1.003 5.671 -4.326 1.00 14.01 N ATOM 548 CA VAL A 35 0.876 4.334 -3.758 1.00 24.33 C ATOM 549 C VAL A 35 -0.458 3.701 -4.135 1.00 42.23 C ATOM 550 O VAL A 35 -0.537 2.498 -4.383 1.00 32.42 O ATOM 551 CB VAL A 35 1.003 4.363 -2.223 1.00 32.12 C ATOM 552 CG1 VAL A 35 0.839 2.965 -1.647 1.00 33.20 C ATOM 553 CG2 VAL A 35 2.337 4.965 -1.810 1.00 61.11 C ATOM 0 H VAL A 35 1.302 6.385 -3.662 1.00 14.01 H new ATOM 0 HA VAL A 35 1.688 3.736 -4.171 1.00 24.33 H new ATOM 0 HB VAL A 35 0.207 4.991 -1.822 1.00 32.12 H new ATOM 0 HG11 VAL A 35 0.932 3.005 -0.562 1.00 33.20 H new ATOM 0 HG12 VAL A 35 -0.143 2.575 -1.913 1.00 33.20 H new ATOM 0 HG13 VAL A 35 1.611 2.311 -2.053 1.00 33.20 H new ATOM 0 HG21 VAL A 35 2.409 4.978 -0.722 1.00 61.11 H new ATOM 0 HG22 VAL A 35 3.149 4.366 -2.221 1.00 61.11 H new ATOM 0 HG23 VAL A 35 2.410 5.984 -2.190 1.00 61.11 H new ATOM 563 N TRP A 36 -1.504 4.518 -4.177 1.00 24.12 N ATOM 564 CA TRP A 36 -2.836 4.037 -4.525 1.00 72.51 C ATOM 565 C TRP A 36 -2.869 3.514 -5.956 1.00 50.22 C ATOM 566 O TRP A 36 -3.364 2.417 -6.213 1.00 34.43 O ATOM 567 CB TRP A 36 -3.865 5.157 -4.353 1.00 1.43 C ATOM 568 CG TRP A 36 -5.262 4.737 -4.700 1.00 72.31 C ATOM 569 CD1 TRP A 36 -6.033 3.828 -4.034 1.00 11.34 C ATOM 570 CD2 TRP A 36 -6.052 5.210 -5.797 1.00 24.00 C ATOM 571 NE1 TRP A 36 -7.255 3.706 -4.652 1.00 41.41 N ATOM 572 CE2 TRP A 36 -7.292 4.544 -5.734 1.00 31.54 C ATOM 573 CE3 TRP A 36 -5.834 6.132 -6.823 1.00 24.41 C ATOM 574 CZ2 TRP A 36 -8.306 4.773 -6.661 1.00 51.52 C ATOM 575 CZ3 TRP A 36 -6.840 6.357 -7.742 1.00 52.41 C ATOM 576 CH2 TRP A 36 -8.065 5.681 -7.656 1.00 44.33 C ATOM 0 H TRP A 36 -1.456 5.517 -3.974 1.00 24.12 H new ATOM 0 HA TRP A 36 -3.087 3.216 -3.853 1.00 72.51 H new ATOM 0 HB2 TRP A 36 -3.844 5.505 -3.320 1.00 1.43 H new ATOM 0 HB3 TRP A 36 -3.581 6.002 -4.980 1.00 1.43 H new ATOM 0 HD1 TRP A 36 -5.728 3.285 -3.152 1.00 11.34 H new ATOM 0 HE1 TRP A 36 -8.012 3.091 -4.353 1.00 41.41 H new ATOM 0 HE3 TRP A 36 -4.895 6.660 -6.897 1.00 24.41 H new ATOM 0 HZ2 TRP A 36 -9.250 4.252 -6.597 1.00 51.52 H new ATOM 0 HZ3 TRP A 36 -6.680 7.066 -8.541 1.00 52.41 H new ATOM 0 HH2 TRP A 36 -8.833 5.881 -8.389 1.00 44.33 H new ATOM 587 N ALA A 37 -2.339 4.304 -6.884 1.00 73.44 N ATOM 588 CA ALA A 37 -2.307 3.919 -8.289 1.00 42.52 C ATOM 589 C ALA A 37 -1.367 2.739 -8.512 1.00 50.31 C ATOM 590 O ALA A 37 -1.686 1.811 -9.256 1.00 31.10 O ATOM 591 CB ALA A 37 -1.889 5.101 -9.151 1.00 4.31 C ATOM 0 H ALA A 37 -1.926 5.215 -6.687 1.00 73.44 H new ATOM 0 HA ALA A 37 -3.311 3.610 -8.579 1.00 42.52 H new ATOM 0 HB1 ALA A 37 -1.869 4.799 -10.198 1.00 4.31 H new ATOM 0 HB2 ALA A 37 -2.602 5.916 -9.022 1.00 4.31 H new ATOM 0 HB3 ALA A 37 -0.896 5.437 -8.852 1.00 4.31 H new ATOM 597 N SER A 38 -0.207 2.781 -7.864 1.00 11.10 N ATOM 598 CA SER A 38 0.781 1.717 -7.996 1.00 61.25 C ATOM 599 C SER A 38 0.168 0.362 -7.657 1.00 0.23 C ATOM 600 O SER A 38 0.570 -0.667 -8.203 1.00 55.20 O ATOM 601 CB SER A 38 1.979 1.990 -7.085 1.00 20.23 C ATOM 602 OG SER A 38 2.552 3.257 -7.361 1.00 3.42 O ATOM 0 H SER A 38 0.071 3.540 -7.243 1.00 11.10 H new ATOM 0 HA SER A 38 1.119 1.694 -9.032 1.00 61.25 H new ATOM 0 HB2 SER A 38 1.664 1.949 -6.042 1.00 20.23 H new ATOM 0 HB3 SER A 38 2.729 1.211 -7.222 1.00 20.23 H new ATOM 0 HG SER A 38 1.951 3.964 -7.044 1.00 3.42 H new ATOM 608 N ARG A 39 -0.806 0.368 -6.754 1.00 21.31 N ATOM 609 CA ARG A 39 -1.474 -0.860 -6.341 1.00 33.02 C ATOM 610 C ARG A 39 -2.715 -1.115 -7.190 1.00 13.13 C ATOM 611 O ARG A 39 -3.282 -2.208 -7.166 1.00 44.02 O ATOM 612 CB ARG A 39 -1.861 -0.783 -4.863 1.00 41.12 C ATOM 613 CG ARG A 39 -0.895 -1.510 -3.942 1.00 1.41 C ATOM 614 CD ARG A 39 -0.108 -0.537 -3.078 1.00 33.23 C ATOM 615 NE ARG A 39 1.098 -0.061 -3.751 1.00 41.25 N ATOM 616 CZ ARG A 39 2.163 -0.823 -3.975 1.00 63.24 C ATOM 617 NH1 ARG A 39 2.171 -2.089 -3.582 1.00 4.40 N ATOM 618 NH2 ARG A 39 3.224 -0.318 -4.592 1.00 31.23 N ATOM 0 H ARG A 39 -1.151 1.210 -6.294 1.00 21.31 H new ATOM 0 HA ARG A 39 -0.780 -1.688 -6.485 1.00 33.02 H new ATOM 0 HB2 ARG A 39 -1.916 0.264 -4.565 1.00 41.12 H new ATOM 0 HB3 ARG A 39 -2.858 -1.204 -4.735 1.00 41.12 H new ATOM 0 HG2 ARG A 39 -1.448 -2.199 -3.304 1.00 1.41 H new ATOM 0 HG3 ARG A 39 -0.206 -2.110 -4.536 1.00 1.41 H new ATOM 0 HD2 ARG A 39 -0.740 0.313 -2.822 1.00 33.23 H new ATOM 0 HD3 ARG A 39 0.167 -1.023 -2.142 1.00 33.23 H new ATOM 0 HE ARG A 39 1.124 0.909 -4.066 1.00 41.25 H new ATOM 0 HH11 ARG A 39 1.358 -2.480 -3.106 1.00 4.40 H new ATOM 0 HH12 ARG A 39 2.990 -2.672 -3.755 1.00 4.40 H new ATOM 0 HH21 ARG A 39 3.222 0.656 -4.895 1.00 31.23 H new ATOM 0 HH22 ARG A 39 4.041 -0.904 -4.763 1.00 31.23 H new ATOM 632 N GLU A 40 -3.134 -0.100 -7.939 1.00 24.23 N ATOM 633 CA GLU A 40 -4.309 -0.215 -8.795 1.00 41.13 C ATOM 634 C GLU A 40 -3.929 -0.751 -10.173 1.00 42.30 C ATOM 635 O GLU A 40 -4.649 -1.562 -10.757 1.00 73.14 O ATOM 636 CB GLU A 40 -4.998 1.143 -8.937 1.00 74.15 C ATOM 637 CG GLU A 40 -6.514 1.051 -9.009 1.00 63.00 C ATOM 638 CD GLU A 40 -7.112 0.336 -7.813 1.00 12.42 C ATOM 639 OE1 GLU A 40 -6.780 0.710 -6.669 1.00 72.51 O ATOM 640 OE2 GLU A 40 -7.913 -0.600 -8.022 1.00 22.01 O ATOM 0 H GLU A 40 -2.677 0.811 -7.970 1.00 24.23 H new ATOM 0 HA GLU A 40 -4.999 -0.918 -8.328 1.00 41.13 H new ATOM 0 HB2 GLU A 40 -4.720 1.772 -8.092 1.00 74.15 H new ATOM 0 HB3 GLU A 40 -4.629 1.636 -9.836 1.00 74.15 H new ATOM 0 HG2 GLU A 40 -6.933 2.055 -9.074 1.00 63.00 H new ATOM 0 HG3 GLU A 40 -6.800 0.527 -9.921 1.00 63.00 H new ATOM 647 N LEU A 41 -2.792 -0.293 -10.686 1.00 71.20 N ATOM 648 CA LEU A 41 -2.315 -0.725 -11.995 1.00 12.21 C ATOM 649 C LEU A 41 -2.139 -2.240 -12.038 1.00 31.03 C ATOM 650 O LEU A 41 -2.494 -2.888 -13.022 1.00 74.32 O ATOM 651 CB LEU A 41 -0.991 -0.037 -12.330 1.00 22.22 C ATOM 652 CG LEU A 41 -1.088 1.418 -12.791 1.00 14.14 C ATOM 653 CD1 LEU A 41 0.299 2.018 -12.962 1.00 33.42 C ATOM 654 CD2 LEU A 41 -1.878 1.514 -14.089 1.00 24.50 C ATOM 0 H LEU A 41 -2.184 0.377 -10.216 1.00 71.20 H new ATOM 0 HA LEU A 41 -3.062 -0.443 -12.737 1.00 12.21 H new ATOM 0 HB2 LEU A 41 -0.351 -0.076 -11.448 1.00 22.22 H new ATOM 0 HB3 LEU A 41 -0.493 -0.612 -13.111 1.00 22.22 H new ATOM 0 HG LEU A 41 -1.615 1.988 -12.025 1.00 14.14 H new ATOM 0 HD11 LEU A 41 0.210 3.053 -13.290 1.00 33.42 H new ATOM 0 HD12 LEU A 41 0.830 1.984 -12.011 1.00 33.42 H new ATOM 0 HD13 LEU A 41 0.853 1.448 -13.708 1.00 33.42 H new ATOM 0 HD21 LEU A 41 -1.937 2.556 -14.403 1.00 24.50 H new ATOM 0 HD22 LEU A 41 -1.379 0.930 -14.863 1.00 24.50 H new ATOM 0 HD23 LEU A 41 -2.884 1.125 -13.932 1.00 24.50 H new ATOM 666 N GLU A 42 -1.590 -2.797 -10.964 1.00 70.14 N ATOM 667 CA GLU A 42 -1.369 -4.235 -10.878 1.00 12.45 C ATOM 668 C GLU A 42 -2.671 -5.000 -11.095 1.00 74.15 C ATOM 669 O GLU A 42 -2.662 -6.167 -11.487 1.00 41.50 O ATOM 670 CB GLU A 42 -0.769 -4.603 -9.520 1.00 4.30 C ATOM 671 CG GLU A 42 0.565 -5.323 -9.619 1.00 41.31 C ATOM 672 CD GLU A 42 0.407 -6.823 -9.783 1.00 23.55 C ATOM 673 OE1 GLU A 42 -0.635 -7.360 -9.354 1.00 21.24 O ATOM 674 OE2 GLU A 42 1.327 -7.458 -10.341 1.00 13.11 O ATOM 0 H GLU A 42 -1.290 -2.274 -10.141 1.00 70.14 H new ATOM 0 HA GLU A 42 -0.668 -4.515 -11.664 1.00 12.45 H new ATOM 0 HB2 GLU A 42 -0.639 -3.695 -8.931 1.00 4.30 H new ATOM 0 HB3 GLU A 42 -1.474 -5.235 -8.980 1.00 4.30 H new ATOM 0 HG2 GLU A 42 1.126 -4.926 -10.465 1.00 41.31 H new ATOM 0 HG3 GLU A 42 1.151 -5.119 -8.723 1.00 41.31 H new ATOM 681 N ARG A 43 -3.792 -4.334 -10.835 1.00 73.22 N ATOM 682 CA ARG A 43 -5.104 -4.951 -10.999 1.00 65.31 C ATOM 683 C ARG A 43 -5.545 -4.909 -12.459 1.00 71.52 C ATOM 684 O ARG A 43 -6.370 -5.714 -12.891 1.00 24.05 O ATOM 685 CB ARG A 43 -6.136 -4.241 -10.121 1.00 15.24 C ATOM 686 CG ARG A 43 -7.254 -5.153 -9.639 1.00 61.11 C ATOM 687 CD ARG A 43 -8.228 -4.410 -8.738 1.00 44.44 C ATOM 688 NE ARG A 43 -9.372 -5.238 -8.369 1.00 15.03 N ATOM 689 CZ ARG A 43 -10.303 -4.862 -7.499 1.00 71.32 C ATOM 690 NH1 ARG A 43 -10.223 -3.676 -6.911 1.00 55.15 N ATOM 691 NH2 ARG A 43 -11.314 -5.672 -7.215 1.00 34.14 N ATOM 0 H ARG A 43 -3.818 -3.368 -10.510 1.00 73.22 H new ATOM 0 HA ARG A 43 -5.030 -5.994 -10.690 1.00 65.31 H new ATOM 0 HB2 ARG A 43 -5.631 -3.811 -9.256 1.00 15.24 H new ATOM 0 HB3 ARG A 43 -6.570 -3.413 -10.682 1.00 15.24 H new ATOM 0 HG2 ARG A 43 -7.789 -5.560 -10.497 1.00 61.11 H new ATOM 0 HG3 ARG A 43 -6.828 -5.998 -9.098 1.00 61.11 H new ATOM 0 HD2 ARG A 43 -7.711 -4.084 -7.836 1.00 44.44 H new ATOM 0 HD3 ARG A 43 -8.579 -3.512 -9.246 1.00 44.44 H new ATOM 0 HE ARG A 43 -9.462 -6.157 -8.803 1.00 15.03 H new ATOM 0 HH11 ARG A 43 -9.446 -3.051 -7.127 1.00 55.15 H new ATOM 0 HH12 ARG A 43 -10.938 -3.389 -6.243 1.00 55.15 H new ATOM 0 HH21 ARG A 43 -11.378 -6.585 -7.665 1.00 34.14 H new ATOM 0 HH22 ARG A 43 -12.028 -5.382 -6.547 1.00 34.14 H new ATOM 705 N PHE A 44 -4.991 -3.965 -13.212 1.00 24.30 N ATOM 706 CA PHE A 44 -5.328 -3.817 -14.623 1.00 34.11 C ATOM 707 C PHE A 44 -4.303 -4.524 -15.504 1.00 14.11 C ATOM 708 O PHE A 44 -4.127 -4.176 -16.672 1.00 41.13 O ATOM 709 CB PHE A 44 -5.405 -2.336 -14.999 1.00 73.13 C ATOM 710 CG PHE A 44 -6.492 -1.590 -14.278 1.00 15.31 C ATOM 711 CD1 PHE A 44 -7.770 -2.119 -14.187 1.00 41.14 C ATOM 712 CD2 PHE A 44 -6.236 -0.361 -13.693 1.00 72.21 C ATOM 713 CE1 PHE A 44 -8.772 -1.435 -13.525 1.00 23.41 C ATOM 714 CE2 PHE A 44 -7.234 0.328 -13.030 1.00 42.13 C ATOM 715 CZ PHE A 44 -8.503 -0.210 -12.945 1.00 61.11 C ATOM 0 H PHE A 44 -4.307 -3.291 -12.869 1.00 24.30 H new ATOM 0 HA PHE A 44 -6.302 -4.277 -14.788 1.00 34.11 H new ATOM 0 HB2 PHE A 44 -4.447 -1.864 -14.783 1.00 73.13 H new ATOM 0 HB3 PHE A 44 -5.567 -2.250 -16.073 1.00 73.13 H new ATOM 0 HD1 PHE A 44 -7.985 -3.076 -14.638 1.00 41.14 H new ATOM 0 HD2 PHE A 44 -5.245 0.064 -13.756 1.00 72.21 H new ATOM 0 HE1 PHE A 44 -9.764 -1.857 -13.461 1.00 23.41 H new ATOM 0 HE2 PHE A 44 -7.022 1.286 -12.579 1.00 42.13 H new ATOM 0 HZ PHE A 44 -9.284 0.326 -12.426 1.00 61.11 H new ATOM 725 N ALA A 45 -3.631 -5.520 -14.937 1.00 24.32 N ATOM 726 CA ALA A 45 -2.624 -6.278 -15.670 1.00 34.42 C ATOM 727 C ALA A 45 -1.446 -5.392 -16.058 1.00 5.43 C ATOM 728 O ALA A 45 -0.689 -5.714 -16.976 1.00 14.30 O ATOM 729 CB ALA A 45 -3.241 -6.912 -16.909 1.00 64.11 C ATOM 0 H ALA A 45 -3.766 -5.821 -13.972 1.00 24.32 H new ATOM 0 HA ALA A 45 -2.251 -7.068 -15.018 1.00 34.42 H new ATOM 0 HB1 ALA A 45 -2.479 -7.475 -17.448 1.00 64.11 H new ATOM 0 HB2 ALA A 45 -4.046 -7.584 -16.611 1.00 64.11 H new ATOM 0 HB3 ALA A 45 -3.641 -6.131 -17.556 1.00 64.11 H new ATOM 735 N VAL A 46 -1.294 -4.275 -15.354 1.00 23.45 N ATOM 736 CA VAL A 46 -0.205 -3.342 -15.625 1.00 41.31 C ATOM 737 C VAL A 46 0.707 -3.196 -14.413 1.00 71.34 C ATOM 738 O VAL A 46 0.277 -2.742 -13.352 1.00 24.30 O ATOM 739 CB VAL A 46 -0.742 -1.954 -16.023 1.00 42.25 C ATOM 740 CG1 VAL A 46 0.405 -0.971 -16.205 1.00 53.52 C ATOM 741 CG2 VAL A 46 -1.579 -2.050 -17.288 1.00 12.24 C ATOM 0 H VAL A 46 -1.911 -3.994 -14.592 1.00 23.45 H new ATOM 0 HA VAL A 46 0.366 -3.754 -16.457 1.00 41.31 H new ATOM 0 HB VAL A 46 -1.381 -1.586 -15.220 1.00 42.25 H new ATOM 0 HG11 VAL A 46 0.007 0.004 -16.486 1.00 53.52 H new ATOM 0 HG12 VAL A 46 0.959 -0.881 -15.271 1.00 53.52 H new ATOM 0 HG13 VAL A 46 1.071 -1.331 -16.989 1.00 53.52 H new ATOM 0 HG21 VAL A 46 -1.950 -1.060 -17.555 1.00 12.24 H new ATOM 0 HG22 VAL A 46 -0.966 -2.439 -18.101 1.00 12.24 H new ATOM 0 HG23 VAL A 46 -2.422 -2.720 -17.117 1.00 12.24 H new ATOM 751 N ASN A 47 1.967 -3.582 -14.577 1.00 64.33 N ATOM 752 CA ASN A 47 2.941 -3.492 -13.494 1.00 2.10 C ATOM 753 C ASN A 47 3.220 -2.037 -13.132 1.00 31.23 C ATOM 754 O ASN A 47 3.264 -1.155 -13.991 1.00 41.45 O ATOM 755 CB ASN A 47 4.244 -4.189 -13.894 1.00 51.13 C ATOM 756 CG ASN A 47 4.025 -5.632 -14.305 1.00 64.54 C ATOM 757 OD1 ASN A 47 4.392 -6.037 -15.409 1.00 73.23 O ATOM 758 ND2 ASN A 47 3.425 -6.415 -13.417 1.00 53.34 N ATOM 0 H ASN A 47 2.339 -3.960 -15.448 1.00 64.33 H new ATOM 0 HA ASN A 47 2.523 -3.991 -12.620 1.00 2.10 H new ATOM 0 HB2 ASN A 47 4.705 -3.645 -14.718 1.00 51.13 H new ATOM 0 HB3 ASN A 47 4.943 -4.154 -13.058 1.00 51.13 H new ATOM 0 HD21 ASN A 47 3.251 -7.396 -13.637 1.00 53.34 H new ATOM 0 HD22 ASN A 47 3.138 -6.036 -12.514 1.00 53.34 H new ATOM 765 N PRO A 48 3.413 -1.777 -11.830 1.00 3.05 N ATOM 766 CA PRO A 48 3.692 -0.430 -11.325 1.00 51.24 C ATOM 767 C PRO A 48 5.076 0.066 -11.729 1.00 4.24 C ATOM 768 O PRO A 48 5.424 1.222 -11.497 1.00 61.25 O ATOM 769 CB PRO A 48 3.607 -0.597 -9.806 1.00 45.45 C ATOM 770 CG PRO A 48 3.918 -2.035 -9.564 1.00 75.23 C ATOM 771 CD PRO A 48 3.375 -2.780 -10.752 1.00 2.31 C ATOM 0 HA PRO A 48 2.997 0.308 -11.727 1.00 51.24 H new ATOM 0 HB2 PRO A 48 4.318 0.053 -9.296 1.00 45.45 H new ATOM 0 HB3 PRO A 48 2.615 -0.339 -9.434 1.00 45.45 H new ATOM 0 HG2 PRO A 48 4.992 -2.191 -9.463 1.00 75.23 H new ATOM 0 HG3 PRO A 48 3.457 -2.384 -8.640 1.00 75.23 H new ATOM 0 HD2 PRO A 48 3.984 -3.652 -10.992 1.00 2.31 H new ATOM 0 HD3 PRO A 48 2.362 -3.139 -10.572 1.00 2.31 H new ATOM 779 N GLY A 49 5.862 -0.817 -12.337 1.00 1.44 N ATOM 780 CA GLY A 49 7.200 -0.449 -12.765 1.00 53.52 C ATOM 781 C GLY A 49 7.190 0.608 -13.851 1.00 5.45 C ATOM 782 O GLY A 49 8.205 1.258 -14.104 1.00 3.34 O ATOM 0 H GLY A 49 5.597 -1.781 -12.541 1.00 1.44 H new ATOM 0 HA2 GLY A 49 7.764 -0.080 -11.908 1.00 53.52 H new ATOM 0 HA3 GLY A 49 7.718 -1.336 -13.130 1.00 53.52 H new ATOM 786 N LEU A 50 6.042 0.781 -14.496 1.00 31.42 N ATOM 787 CA LEU A 50 5.905 1.766 -15.563 1.00 63.11 C ATOM 788 C LEU A 50 5.825 3.179 -14.993 1.00 44.31 C ATOM 789 O LEU A 50 5.809 4.161 -15.737 1.00 43.23 O ATOM 790 CB LEU A 50 4.659 1.472 -16.400 1.00 1.22 C ATOM 791 CG LEU A 50 4.594 0.085 -17.042 1.00 62.13 C ATOM 792 CD1 LEU A 50 3.230 -0.148 -17.673 1.00 23.12 C ATOM 793 CD2 LEU A 50 5.698 -0.075 -18.077 1.00 10.43 C ATOM 0 H LEU A 50 5.192 0.252 -14.299 1.00 31.42 H new ATOM 0 HA LEU A 50 6.787 1.699 -16.200 1.00 63.11 H new ATOM 0 HB2 LEU A 50 3.782 1.598 -15.766 1.00 1.22 H new ATOM 0 HB3 LEU A 50 4.592 2.220 -17.190 1.00 1.22 H new ATOM 0 HG LEU A 50 4.743 -0.663 -16.263 1.00 62.13 H new ATOM 0 HD11 LEU A 50 3.203 -1.140 -18.125 1.00 23.12 H new ATOM 0 HD12 LEU A 50 2.458 -0.077 -16.907 1.00 23.12 H new ATOM 0 HD13 LEU A 50 3.051 0.605 -18.440 1.00 23.12 H new ATOM 0 HD21 LEU A 50 5.637 -1.067 -18.524 1.00 10.43 H new ATOM 0 HD22 LEU A 50 5.581 0.680 -18.854 1.00 10.43 H new ATOM 0 HD23 LEU A 50 6.668 0.047 -17.596 1.00 10.43 H new ATOM 805 N LEU A 51 5.779 3.275 -13.669 1.00 62.11 N ATOM 806 CA LEU A 51 5.703 4.568 -12.997 1.00 4.54 C ATOM 807 C LEU A 51 7.083 5.212 -12.901 1.00 44.25 C ATOM 808 O LEU A 51 7.201 6.424 -12.728 1.00 12.11 O ATOM 809 CB LEU A 51 5.104 4.404 -11.599 1.00 25.32 C ATOM 810 CG LEU A 51 3.648 3.945 -11.542 1.00 32.02 C ATOM 811 CD1 LEU A 51 3.143 3.945 -10.108 1.00 3.32 C ATOM 812 CD2 LEU A 51 2.774 4.832 -12.417 1.00 1.25 C ATOM 0 H LEU A 51 5.793 2.473 -13.039 1.00 62.11 H new ATOM 0 HA LEU A 51 5.058 5.220 -13.586 1.00 4.54 H new ATOM 0 HB2 LEU A 51 5.712 3.687 -11.047 1.00 25.32 H new ATOM 0 HB3 LEU A 51 5.184 5.358 -11.077 1.00 25.32 H new ATOM 0 HG LEU A 51 3.594 2.926 -11.924 1.00 32.02 H new ATOM 0 HD11 LEU A 51 2.104 3.615 -10.088 1.00 3.32 H new ATOM 0 HD12 LEU A 51 3.750 3.267 -9.508 1.00 3.32 H new ATOM 0 HD13 LEU A 51 3.212 4.953 -9.698 1.00 3.32 H new ATOM 0 HD21 LEU A 51 1.740 4.490 -12.364 1.00 1.25 H new ATOM 0 HD22 LEU A 51 2.834 5.862 -12.066 1.00 1.25 H new ATOM 0 HD23 LEU A 51 3.121 4.780 -13.449 1.00 1.25 H new ATOM 824 N GLU A 52 8.123 4.391 -13.013 1.00 21.23 N ATOM 825 CA GLU A 52 9.494 4.882 -12.940 1.00 52.05 C ATOM 826 C GLU A 52 10.047 5.164 -14.334 1.00 42.51 C ATOM 827 O GLU A 52 11.253 5.073 -14.566 1.00 31.21 O ATOM 828 CB GLU A 52 10.385 3.867 -12.221 1.00 44.34 C ATOM 829 CG GLU A 52 10.515 2.544 -12.956 1.00 12.40 C ATOM 830 CD GLU A 52 11.893 1.928 -12.810 1.00 10.41 C ATOM 831 OE1 GLU A 52 12.296 1.643 -11.663 1.00 64.31 O ATOM 832 OE2 GLU A 52 12.568 1.731 -13.841 1.00 14.33 O ATOM 0 H GLU A 52 8.042 3.384 -13.154 1.00 21.23 H new ATOM 0 HA GLU A 52 9.489 5.814 -12.375 1.00 52.05 H new ATOM 0 HB2 GLU A 52 11.377 4.298 -12.087 1.00 44.34 H new ATOM 0 HB3 GLU A 52 9.981 3.682 -11.226 1.00 44.34 H new ATOM 0 HG2 GLU A 52 9.768 1.847 -12.577 1.00 12.40 H new ATOM 0 HG3 GLU A 52 10.300 2.698 -14.013 1.00 12.40 H new ATOM 839 N THR A 53 9.156 5.505 -15.259 1.00 2.43 N ATOM 840 CA THR A 53 9.553 5.797 -16.632 1.00 63.35 C ATOM 841 C THR A 53 8.578 6.766 -17.290 1.00 21.35 C ATOM 842 O THR A 53 7.447 6.402 -17.611 1.00 72.12 O ATOM 843 CB THR A 53 9.635 4.514 -17.478 1.00 2.13 C ATOM 844 OG1 THR A 53 8.329 4.139 -17.928 1.00 12.12 O ATOM 845 CG2 THR A 53 10.247 3.375 -16.677 1.00 41.01 C ATOM 0 H THR A 53 8.155 5.586 -15.083 1.00 2.43 H new ATOM 0 HA THR A 53 10.541 6.255 -16.586 1.00 63.35 H new ATOM 0 HB THR A 53 10.272 4.714 -18.340 1.00 2.13 H new ATOM 0 HG1 THR A 53 7.654 4.650 -17.435 1.00 12.12 H new ATOM 0 HG21 THR A 53 10.294 2.479 -17.296 1.00 41.01 H new ATOM 0 HG22 THR A 53 11.253 3.652 -16.361 1.00 41.01 H new ATOM 0 HG23 THR A 53 9.633 3.177 -15.799 1.00 41.01 H new ATOM 853 N SER A 54 9.025 8.002 -17.493 1.00 54.14 N ATOM 854 CA SER A 54 8.190 9.024 -18.111 1.00 24.34 C ATOM 855 C SER A 54 7.569 8.508 -19.406 1.00 75.30 C ATOM 856 O SER A 54 6.473 8.919 -19.787 1.00 22.23 O ATOM 857 CB SER A 54 9.014 10.283 -18.394 1.00 31.33 C ATOM 858 OG SER A 54 8.203 11.444 -18.349 1.00 42.15 O ATOM 0 H SER A 54 9.960 8.319 -17.238 1.00 54.14 H new ATOM 0 HA SER A 54 7.387 9.271 -17.416 1.00 24.34 H new ATOM 0 HB2 SER A 54 9.817 10.368 -17.662 1.00 31.33 H new ATOM 0 HB3 SER A 54 9.484 10.201 -19.374 1.00 31.33 H new ATOM 0 HG SER A 54 8.753 12.234 -18.531 1.00 42.15 H new ATOM 864 N GLU A 55 8.277 7.605 -20.076 1.00 65.40 N ATOM 865 CA GLU A 55 7.797 7.033 -21.328 1.00 75.31 C ATOM 866 C GLU A 55 6.722 5.981 -21.069 1.00 63.33 C ATOM 867 O GLU A 55 5.785 5.829 -21.851 1.00 60.33 O ATOM 868 CB GLU A 55 8.956 6.411 -22.110 1.00 21.42 C ATOM 869 CG GLU A 55 8.772 6.464 -23.617 1.00 74.34 C ATOM 870 CD GLU A 55 9.003 7.850 -24.186 1.00 75.54 C ATOM 871 OE1 GLU A 55 9.885 8.565 -23.664 1.00 74.11 O ATOM 872 OE2 GLU A 55 8.303 8.222 -25.151 1.00 52.22 O ATOM 0 H GLU A 55 9.185 7.254 -19.773 1.00 65.40 H new ATOM 0 HA GLU A 55 7.360 7.837 -21.920 1.00 75.31 H new ATOM 0 HB2 GLU A 55 9.879 6.927 -21.847 1.00 21.42 H new ATOM 0 HB3 GLU A 55 9.074 5.372 -21.803 1.00 21.42 H new ATOM 0 HG2 GLU A 55 9.461 5.763 -24.088 1.00 74.34 H new ATOM 0 HG3 GLU A 55 7.763 6.136 -23.868 1.00 74.34 H new ATOM 879 N GLY A 56 6.866 5.257 -19.963 1.00 24.34 N ATOM 880 CA GLY A 56 5.903 4.228 -19.619 1.00 14.02 C ATOM 881 C GLY A 56 4.617 4.802 -19.058 1.00 20.12 C ATOM 882 O GLY A 56 3.532 4.276 -19.310 1.00 62.41 O ATOM 0 H GLY A 56 7.633 5.365 -19.299 1.00 24.34 H new ATOM 0 HA2 GLY A 56 5.677 3.636 -20.506 1.00 14.02 H new ATOM 0 HA3 GLY A 56 6.345 3.551 -18.888 1.00 14.02 H new ATOM 886 N CYS A 57 4.738 5.883 -18.295 1.00 51.44 N ATOM 887 CA CYS A 57 3.575 6.527 -17.693 1.00 64.12 C ATOM 888 C CYS A 57 2.555 6.911 -18.759 1.00 34.30 C ATOM 889 O CYS A 57 1.351 6.940 -18.499 1.00 20.42 O ATOM 890 CB CYS A 57 4.004 7.769 -16.910 1.00 21.31 C ATOM 891 SG CYS A 57 3.835 7.606 -15.118 1.00 52.44 S ATOM 0 H CYS A 57 5.628 6.332 -18.079 1.00 51.44 H new ATOM 0 HA CYS A 57 3.109 5.817 -17.009 1.00 64.12 H new ATOM 0 HB2 CYS A 57 5.044 7.994 -17.147 1.00 21.31 H new ATOM 0 HB3 CYS A 57 3.410 8.619 -17.244 1.00 21.31 H new ATOM 0 HG CYS A 57 4.224 8.705 -14.544 1.00 52.44 H new ATOM 897 N ARG A 58 3.042 7.205 -19.959 1.00 21.43 N ATOM 898 CA ARG A 58 2.173 7.591 -21.065 1.00 14.31 C ATOM 899 C ARG A 58 1.230 6.449 -21.438 1.00 64.43 C ATOM 900 O ARG A 58 0.065 6.675 -21.760 1.00 75.30 O ATOM 901 CB ARG A 58 3.007 7.996 -22.282 1.00 50.34 C ATOM 902 CG ARG A 58 2.380 9.109 -23.106 1.00 42.40 C ATOM 903 CD ARG A 58 1.712 8.565 -24.358 1.00 34.14 C ATOM 904 NE ARG A 58 2.649 8.450 -25.473 1.00 15.31 N ATOM 905 CZ ARG A 58 2.445 7.667 -26.526 1.00 51.31 C ATOM 906 NH1 ARG A 58 1.343 6.933 -26.608 1.00 32.21 N ATOM 907 NH2 ARG A 58 3.344 7.616 -27.501 1.00 62.12 N ATOM 0 H ARG A 58 4.035 7.183 -20.191 1.00 21.43 H new ATOM 0 HA ARG A 58 1.576 8.444 -20.744 1.00 14.31 H new ATOM 0 HB2 ARG A 58 3.993 8.316 -21.946 1.00 50.34 H new ATOM 0 HB3 ARG A 58 3.154 7.123 -22.918 1.00 50.34 H new ATOM 0 HG2 ARG A 58 1.645 9.641 -22.502 1.00 42.40 H new ATOM 0 HG3 ARG A 58 3.146 9.832 -23.386 1.00 42.40 H new ATOM 0 HD2 ARG A 58 1.282 7.587 -24.143 1.00 34.14 H new ATOM 0 HD3 ARG A 58 0.888 9.220 -24.643 1.00 34.14 H new ATOM 0 HE ARG A 58 3.507 9.001 -25.441 1.00 15.31 H new ATOM 0 HH11 ARG A 58 0.649 6.969 -25.861 1.00 32.21 H new ATOM 0 HH12 ARG A 58 1.189 6.333 -27.418 1.00 32.21 H new ATOM 0 HH21 ARG A 58 4.193 8.179 -27.442 1.00 62.12 H new ATOM 0 HH22 ARG A 58 3.186 7.014 -28.309 1.00 62.12 H new ATOM 921 N GLN A 59 1.746 5.225 -21.392 1.00 33.13 N ATOM 922 CA GLN A 59 0.951 4.049 -21.727 1.00 24.10 C ATOM 923 C GLN A 59 -0.253 3.924 -20.800 1.00 74.23 C ATOM 924 O GLN A 59 -1.359 3.607 -21.241 1.00 63.25 O ATOM 925 CB GLN A 59 1.809 2.786 -21.641 1.00 34.12 C ATOM 926 CG GLN A 59 1.347 1.673 -22.568 1.00 50.13 C ATOM 927 CD GLN A 59 0.936 0.421 -21.816 1.00 61.23 C ATOM 928 OE1 GLN A 59 0.342 0.496 -20.740 1.00 71.13 O ATOM 929 NE2 GLN A 59 1.250 -0.739 -22.380 1.00 20.45 N ATOM 0 H GLN A 59 2.710 5.022 -21.126 1.00 33.13 H new ATOM 0 HA GLN A 59 0.589 4.165 -22.749 1.00 24.10 H new ATOM 0 HB2 GLN A 59 2.842 3.041 -21.879 1.00 34.12 H new ATOM 0 HB3 GLN A 59 1.800 2.420 -20.614 1.00 34.12 H new ATOM 0 HG2 GLN A 59 0.506 2.027 -23.164 1.00 50.13 H new ATOM 0 HG3 GLN A 59 2.150 1.428 -23.264 1.00 50.13 H new ATOM 0 HE21 GLN A 59 1.743 -0.755 -23.273 1.00 20.45 H new ATOM 0 HE22 GLN A 59 0.998 -1.614 -21.920 1.00 20.45 H new ATOM 938 N ILE A 60 -0.032 4.175 -19.514 1.00 21.03 N ATOM 939 CA ILE A 60 -1.099 4.091 -18.524 1.00 10.04 C ATOM 940 C ILE A 60 -2.244 5.037 -18.870 1.00 31.21 C ATOM 941 O ILE A 60 -3.417 4.695 -18.712 1.00 23.12 O ATOM 942 CB ILE A 60 -0.584 4.421 -17.112 1.00 40.53 C ATOM 943 CG1 ILE A 60 0.593 3.512 -16.749 1.00 32.04 C ATOM 944 CG2 ILE A 60 -1.705 4.276 -16.092 1.00 24.51 C ATOM 945 CD1 ILE A 60 1.359 3.973 -15.529 1.00 3.13 C ATOM 0 H ILE A 60 0.877 4.438 -19.133 1.00 21.03 H new ATOM 0 HA ILE A 60 -1.463 3.063 -18.537 1.00 10.04 H new ATOM 0 HB ILE A 60 -0.238 5.455 -17.100 1.00 40.53 H new ATOM 0 HG12 ILE A 60 0.221 2.502 -16.574 1.00 32.04 H new ATOM 0 HG13 ILE A 60 1.275 3.458 -17.597 1.00 32.04 H new ATOM 0 HG21 ILE A 60 -1.325 4.513 -15.098 1.00 24.51 H new ATOM 0 HG22 ILE A 60 -2.516 4.960 -16.343 1.00 24.51 H new ATOM 0 HG23 ILE A 60 -2.077 3.252 -16.104 1.00 24.51 H new ATOM 0 HD11 ILE A 60 2.178 3.282 -15.331 1.00 3.13 H new ATOM 0 HD12 ILE A 60 1.761 4.970 -15.707 1.00 3.13 H new ATOM 0 HD13 ILE A 60 0.691 4.000 -14.668 1.00 3.13 H new ATOM 957 N LEU A 61 -1.897 6.229 -19.343 1.00 0.01 N ATOM 958 CA LEU A 61 -2.896 7.226 -19.713 1.00 21.34 C ATOM 959 C LEU A 61 -3.466 6.936 -21.097 1.00 35.41 C ATOM 960 O LEU A 61 -4.617 7.265 -21.387 1.00 42.03 O ATOM 961 CB LEU A 61 -2.282 8.627 -19.685 1.00 64.23 C ATOM 962 CG LEU A 61 -1.773 9.109 -18.326 1.00 43.11 C ATOM 963 CD1 LEU A 61 -0.795 10.261 -18.500 1.00 3.33 C ATOM 964 CD2 LEU A 61 -2.935 9.525 -17.438 1.00 55.01 C ATOM 0 H LEU A 61 -0.932 6.529 -19.479 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.708 7.178 -18.988 1.00 21.34 H new ATOM 0 HB2 LEU A 61 -1.452 8.653 -20.391 1.00 64.23 H new ATOM 0 HB3 LEU A 61 -3.028 9.336 -20.044 1.00 64.23 H new ATOM 0 HG LEU A 61 -1.249 8.284 -17.843 1.00 43.11 H new ATOM 0 HD11 LEU A 61 -0.444 10.591 -17.522 1.00 3.33 H new ATOM 0 HD12 LEU A 61 0.054 9.930 -19.098 1.00 3.33 H new ATOM 0 HD13 LEU A 61 -1.294 11.089 -19.004 1.00 3.33 H new ATOM 0 HD21 LEU A 61 -2.554 9.865 -16.475 1.00 55.01 H new ATOM 0 HD22 LEU A 61 -3.487 10.334 -17.916 1.00 55.01 H new ATOM 0 HD23 LEU A 61 -3.599 8.674 -17.285 1.00 55.01 H new ATOM 976 N GLY A 62 -2.655 6.318 -21.949 1.00 2.23 N ATOM 977 CA GLY A 62 -3.098 5.992 -23.293 1.00 63.05 C ATOM 978 C GLY A 62 -4.180 4.931 -23.305 1.00 30.24 C ATOM 979 O GLY A 62 -4.988 4.871 -24.232 1.00 73.15 O ATOM 0 H GLY A 62 -1.699 6.037 -21.733 1.00 2.23 H new ATOM 0 HA2 GLY A 62 -3.472 6.894 -23.778 1.00 63.05 H new ATOM 0 HA3 GLY A 62 -2.247 5.645 -23.879 1.00 63.05 H new ATOM 983 N GLN A 63 -4.194 4.090 -22.275 1.00 20.54 N ATOM 984 CA GLN A 63 -5.184 3.024 -22.174 1.00 22.12 C ATOM 985 C GLN A 63 -6.506 3.560 -21.637 1.00 54.12 C ATOM 986 O GLN A 63 -7.575 3.250 -22.166 1.00 50.11 O ATOM 987 CB GLN A 63 -4.667 1.904 -21.268 1.00 21.53 C ATOM 988 CG GLN A 63 -4.088 0.724 -22.031 1.00 12.01 C ATOM 989 CD GLN A 63 -4.895 -0.545 -21.842 1.00 44.14 C ATOM 990 OE1 GLN A 63 -5.187 -0.947 -20.716 1.00 42.44 O ATOM 991 NE2 GLN A 63 -5.262 -1.184 -22.947 1.00 2.31 N ATOM 0 H GLN A 63 -3.532 4.126 -21.500 1.00 20.54 H new ATOM 0 HA GLN A 63 -5.355 2.623 -23.173 1.00 22.12 H new ATOM 0 HB2 GLN A 63 -3.902 2.308 -20.605 1.00 21.53 H new ATOM 0 HB3 GLN A 63 -5.483 1.553 -20.636 1.00 21.53 H new ATOM 0 HG2 GLN A 63 -4.045 0.968 -23.092 1.00 12.01 H new ATOM 0 HG3 GLN A 63 -3.063 0.551 -21.702 1.00 12.01 H new ATOM 0 HE21 GLN A 63 -4.998 -0.815 -23.861 1.00 2.31 H new ATOM 0 HE22 GLN A 63 -5.808 -2.043 -22.882 1.00 2.31 H new ATOM 1000 N LEU A 64 -6.429 4.364 -20.581 1.00 13.33 N ATOM 1001 CA LEU A 64 -7.622 4.942 -19.971 1.00 24.05 C ATOM 1002 C LEU A 64 -8.205 6.042 -20.852 1.00 25.31 C ATOM 1003 O LEU A 64 -9.417 6.252 -20.878 1.00 20.23 O ATOM 1004 CB LEU A 64 -7.289 5.503 -18.588 1.00 51.41 C ATOM 1005 CG LEU A 64 -6.549 4.558 -17.640 1.00 1.52 C ATOM 1006 CD1 LEU A 64 -6.320 5.224 -16.293 1.00 4.43 C ATOM 1007 CD2 LEU A 64 -7.322 3.259 -17.470 1.00 13.44 C ATOM 0 H LEU A 64 -5.554 4.630 -20.130 1.00 13.33 H new ATOM 0 HA LEU A 64 -8.367 4.153 -19.867 1.00 24.05 H new ATOM 0 HB2 LEU A 64 -6.685 6.401 -18.718 1.00 51.41 H new ATOM 0 HB3 LEU A 64 -8.219 5.811 -18.109 1.00 51.41 H new ATOM 0 HG LEU A 64 -5.578 4.325 -18.076 1.00 1.52 H new ATOM 0 HD11 LEU A 64 -5.792 4.536 -15.632 1.00 4.43 H new ATOM 0 HD12 LEU A 64 -5.723 6.126 -16.430 1.00 4.43 H new ATOM 0 HD13 LEU A 64 -7.280 5.488 -15.850 1.00 4.43 H new ATOM 0 HD21 LEU A 64 -6.780 2.599 -16.792 1.00 13.44 H new ATOM 0 HD22 LEU A 64 -8.308 3.474 -17.057 1.00 13.44 H new ATOM 0 HD23 LEU A 64 -7.433 2.772 -18.439 1.00 13.44 H new ATOM 1019 N GLN A 65 -7.333 6.740 -21.573 1.00 71.23 N ATOM 1020 CA GLN A 65 -7.762 7.819 -22.456 1.00 53.30 C ATOM 1021 C GLN A 65 -8.987 7.404 -23.265 1.00 1.15 C ATOM 1022 O GLN A 65 -10.054 8.012 -23.177 1.00 22.34 O ATOM 1023 CB GLN A 65 -6.625 8.218 -23.398 1.00 32.01 C ATOM 1024 CG GLN A 65 -6.040 9.589 -23.098 1.00 60.31 C ATOM 1025 CD GLN A 65 -5.274 10.166 -24.272 1.00 54.01 C ATOM 1026 OE1 GLN A 65 -5.532 9.823 -25.427 1.00 54.43 O ATOM 1027 NE2 GLN A 65 -4.325 11.048 -23.984 1.00 24.32 N ATOM 0 H GLN A 65 -6.326 6.578 -21.563 1.00 71.23 H new ATOM 0 HA GLN A 65 -8.030 8.676 -21.838 1.00 53.30 H new ATOM 0 HB2 GLN A 65 -5.833 7.472 -23.334 1.00 32.01 H new ATOM 0 HB3 GLN A 65 -6.993 8.206 -24.424 1.00 32.01 H new ATOM 0 HG2 GLN A 65 -6.845 10.271 -22.824 1.00 60.31 H new ATOM 0 HG3 GLN A 65 -5.376 9.516 -22.236 1.00 60.31 H new ATOM 0 HE21 GLN A 65 -4.144 11.304 -23.013 1.00 24.32 H new ATOM 0 HE22 GLN A 65 -3.777 11.470 -24.733 1.00 24.32 H new ATOM 1036 N PRO A 66 -8.832 6.345 -24.073 1.00 0.30 N ATOM 1037 CA PRO A 66 -9.914 5.826 -24.914 1.00 52.41 C ATOM 1038 C PRO A 66 -11.017 5.163 -24.095 1.00 60.52 C ATOM 1039 O PRO A 66 -12.069 4.806 -24.627 1.00 43.32 O ATOM 1040 CB PRO A 66 -9.212 4.793 -25.799 1.00 14.03 C ATOM 1041 CG PRO A 66 -8.023 4.364 -25.011 1.00 61.21 C ATOM 1042 CD PRO A 66 -7.587 5.573 -24.228 1.00 13.52 C ATOM 0 HA PRO A 66 -10.411 6.619 -25.473 1.00 52.41 H new ATOM 0 HB2 PRO A 66 -9.867 3.950 -26.018 1.00 14.03 H new ATOM 0 HB3 PRO A 66 -8.918 5.226 -26.755 1.00 14.03 H new ATOM 0 HG2 PRO A 66 -8.273 3.538 -24.346 1.00 61.21 H new ATOM 0 HG3 PRO A 66 -7.225 4.015 -25.667 1.00 61.21 H new ATOM 0 HD2 PRO A 66 -7.163 5.296 -23.263 1.00 13.52 H new ATOM 0 HD3 PRO A 66 -6.824 6.142 -24.759 1.00 13.52 H new ATOM 1050 N SER A 67 -10.770 5.002 -22.799 1.00 42.22 N ATOM 1051 CA SER A 67 -11.741 4.379 -21.907 1.00 30.44 C ATOM 1052 C SER A 67 -12.504 5.435 -21.112 1.00 14.52 C ATOM 1053 O SER A 67 -13.488 5.129 -20.437 1.00 31.33 O ATOM 1054 CB SER A 67 -11.041 3.412 -20.951 1.00 32.14 C ATOM 1055 OG SER A 67 -10.439 2.342 -21.660 1.00 61.00 O ATOM 0 H SER A 67 -9.906 5.294 -22.343 1.00 42.22 H new ATOM 0 HA SER A 67 -12.453 3.823 -22.517 1.00 30.44 H new ATOM 0 HB2 SER A 67 -10.282 3.946 -20.379 1.00 32.14 H new ATOM 0 HB3 SER A 67 -11.762 3.018 -20.234 1.00 32.14 H new ATOM 0 HG SER A 67 -9.506 2.566 -21.861 1.00 61.00 H new ATOM 1061 N LEU A 68 -12.043 6.678 -21.198 1.00 40.33 N ATOM 1062 CA LEU A 68 -12.680 7.781 -20.487 1.00 54.14 C ATOM 1063 C LEU A 68 -14.144 7.918 -20.894 1.00 44.12 C ATOM 1064 O LEU A 68 -14.960 8.446 -20.140 1.00 14.51 O ATOM 1065 CB LEU A 68 -11.938 9.089 -20.763 1.00 63.23 C ATOM 1066 CG LEU A 68 -10.678 9.334 -19.930 1.00 34.12 C ATOM 1067 CD1 LEU A 68 -9.723 10.261 -20.667 1.00 74.52 C ATOM 1068 CD2 LEU A 68 -11.042 9.912 -18.571 1.00 50.14 C ATOM 0 H LEU A 68 -11.231 6.947 -21.753 1.00 40.33 H new ATOM 0 HA LEU A 68 -12.637 7.565 -19.419 1.00 54.14 H new ATOM 0 HB2 LEU A 68 -11.663 9.112 -21.817 1.00 63.23 H new ATOM 0 HB3 LEU A 68 -12.627 9.917 -20.595 1.00 63.23 H new ATOM 0 HG LEU A 68 -10.177 8.379 -19.774 1.00 34.12 H new ATOM 0 HD11 LEU A 68 -8.833 10.424 -20.060 1.00 74.52 H new ATOM 0 HD12 LEU A 68 -9.437 9.808 -21.616 1.00 74.52 H new ATOM 0 HD13 LEU A 68 -10.214 11.216 -20.854 1.00 74.52 H new ATOM 0 HD21 LEU A 68 -10.134 10.080 -17.992 1.00 50.14 H new ATOM 0 HD22 LEU A 68 -11.566 10.858 -18.707 1.00 50.14 H new ATOM 0 HD23 LEU A 68 -11.687 9.213 -18.039 1.00 50.14 H new ATOM 1080 N GLN A 69 -14.467 7.437 -22.090 1.00 22.23 N ATOM 1081 CA GLN A 69 -15.833 7.505 -22.596 1.00 32.13 C ATOM 1082 C GLN A 69 -16.819 6.941 -21.580 1.00 63.14 C ATOM 1083 O GLN A 69 -17.844 7.556 -21.286 1.00 74.44 O ATOM 1084 CB GLN A 69 -15.949 6.741 -23.916 1.00 2.01 C ATOM 1085 CG GLN A 69 -17.243 7.012 -24.665 1.00 21.25 C ATOM 1086 CD GLN A 69 -17.165 6.619 -26.127 1.00 12.34 C ATOM 1087 OE1 GLN A 69 -16.306 5.831 -26.526 1.00 64.54 O ATOM 1088 NE2 GLN A 69 -18.065 7.165 -26.936 1.00 24.44 N ATOM 0 H GLN A 69 -13.802 6.996 -22.726 1.00 22.23 H new ATOM 0 HA GLN A 69 -16.078 8.553 -22.768 1.00 32.13 H new ATOM 0 HB2 GLN A 69 -15.107 7.007 -24.555 1.00 2.01 H new ATOM 0 HB3 GLN A 69 -15.872 5.672 -23.715 1.00 2.01 H new ATOM 0 HG2 GLN A 69 -18.056 6.464 -24.188 1.00 21.25 H new ATOM 0 HG3 GLN A 69 -17.486 8.072 -24.590 1.00 21.25 H new ATOM 0 HE21 GLN A 69 -18.759 7.813 -26.563 1.00 24.44 H new ATOM 0 HE22 GLN A 69 -18.062 6.936 -27.930 1.00 24.44 H new ATOM 1097 N THR A 70 -16.504 5.766 -21.045 1.00 3.35 N ATOM 1098 CA THR A 70 -17.362 5.117 -20.063 1.00 54.13 C ATOM 1099 C THR A 70 -16.555 4.624 -18.867 1.00 51.11 C ATOM 1100 O THR A 70 -16.697 3.479 -18.439 1.00 25.11 O ATOM 1101 CB THR A 70 -18.123 3.928 -20.679 1.00 21.55 C ATOM 1102 OG1 THR A 70 -17.214 3.080 -21.390 1.00 61.31 O ATOM 1103 CG2 THR A 70 -19.214 4.414 -21.622 1.00 51.54 C ATOM 0 H THR A 70 -15.659 5.244 -21.276 1.00 3.35 H new ATOM 0 HA THR A 70 -18.081 5.865 -19.729 1.00 54.13 H new ATOM 0 HB THR A 70 -18.588 3.364 -19.870 1.00 21.55 H new ATOM 0 HG1 THR A 70 -17.705 2.326 -21.777 1.00 61.31 H new ATOM 0 HG21 THR A 70 -19.738 3.557 -22.045 1.00 51.54 H new ATOM 0 HG22 THR A 70 -19.920 5.035 -21.072 1.00 51.54 H new ATOM 0 HG23 THR A 70 -18.766 4.998 -22.426 1.00 51.54 H new ATOM 1111 N GLY A 71 -15.707 5.497 -18.331 1.00 13.33 N ATOM 1112 CA GLY A 71 -14.890 5.131 -17.189 1.00 43.44 C ATOM 1113 C GLY A 71 -15.501 5.572 -15.874 1.00 51.44 C ATOM 1114 O GLY A 71 -15.775 6.755 -15.675 1.00 62.24 O ATOM 0 H GLY A 71 -15.572 6.450 -18.667 1.00 13.33 H new ATOM 0 HA2 GLY A 71 -14.751 4.050 -17.177 1.00 43.44 H new ATOM 0 HA3 GLY A 71 -13.902 5.578 -17.295 1.00 43.44 H new ATOM 1118 N SER A 72 -15.717 4.618 -14.974 1.00 13.43 N ATOM 1119 CA SER A 72 -16.306 4.913 -13.673 1.00 63.12 C ATOM 1120 C SER A 72 -15.446 5.911 -12.901 1.00 30.15 C ATOM 1121 O SER A 72 -14.375 6.305 -13.360 1.00 25.52 O ATOM 1122 CB SER A 72 -16.469 3.629 -12.859 1.00 13.34 C ATOM 1123 OG SER A 72 -15.230 2.956 -12.713 1.00 41.22 O ATOM 0 H SER A 72 -15.493 3.634 -15.122 1.00 13.43 H new ATOM 0 HA SER A 72 -17.288 5.356 -13.839 1.00 63.12 H new ATOM 0 HB2 SER A 72 -16.875 3.867 -11.876 1.00 13.34 H new ATOM 0 HB3 SER A 72 -17.187 2.972 -13.350 1.00 13.34 H new ATOM 0 HG SER A 72 -15.361 2.139 -12.187 1.00 41.22 H new ATOM 1129 N GLU A 73 -15.925 6.313 -11.729 1.00 54.04 N ATOM 1130 CA GLU A 73 -15.201 7.266 -10.894 1.00 13.33 C ATOM 1131 C GLU A 73 -13.783 6.776 -10.616 1.00 54.20 C ATOM 1132 O GLU A 73 -12.877 7.573 -10.377 1.00 1.32 O ATOM 1133 CB GLU A 73 -15.944 7.489 -9.576 1.00 4.14 C ATOM 1134 CG GLU A 73 -15.994 8.946 -9.146 1.00 41.12 C ATOM 1135 CD GLU A 73 -15.318 9.183 -7.809 1.00 40.13 C ATOM 1136 OE1 GLU A 73 -15.498 8.348 -6.898 1.00 73.15 O ATOM 1137 OE2 GLU A 73 -14.611 10.202 -7.674 1.00 64.22 O ATOM 0 H GLU A 73 -16.810 5.995 -11.335 1.00 54.04 H new ATOM 0 HA GLU A 73 -15.141 8.212 -11.433 1.00 13.33 H new ATOM 0 HB2 GLU A 73 -16.962 7.112 -9.674 1.00 4.14 H new ATOM 0 HB3 GLU A 73 -15.462 6.904 -8.793 1.00 4.14 H new ATOM 0 HG2 GLU A 73 -15.514 9.562 -9.906 1.00 41.12 H new ATOM 0 HG3 GLU A 73 -17.034 9.268 -9.085 1.00 41.12 H new ATOM 1144 N GLU A 74 -13.601 5.459 -10.648 1.00 61.42 N ATOM 1145 CA GLU A 74 -12.294 4.863 -10.397 1.00 64.43 C ATOM 1146 C GLU A 74 -11.325 5.179 -11.533 1.00 0.21 C ATOM 1147 O GLU A 74 -10.121 5.320 -11.317 1.00 41.42 O ATOM 1148 CB GLU A 74 -12.423 3.348 -10.227 1.00 11.23 C ATOM 1149 CG GLU A 74 -12.503 2.902 -8.778 1.00 74.05 C ATOM 1150 CD GLU A 74 -13.093 1.513 -8.626 1.00 74.15 C ATOM 1151 OE1 GLU A 74 -13.304 0.843 -9.657 1.00 13.51 O ATOM 1152 OE2 GLU A 74 -13.343 1.099 -7.475 1.00 41.32 O ATOM 0 H GLU A 74 -14.341 4.786 -10.845 1.00 61.42 H new ATOM 0 HA GLU A 74 -11.899 5.291 -9.476 1.00 64.43 H new ATOM 0 HB2 GLU A 74 -13.315 3.007 -10.753 1.00 11.23 H new ATOM 0 HB3 GLU A 74 -11.569 2.864 -10.700 1.00 11.23 H new ATOM 0 HG2 GLU A 74 -11.504 2.918 -8.341 1.00 74.05 H new ATOM 0 HG3 GLU A 74 -13.108 3.613 -8.216 1.00 74.05 H new ATOM 1159 N LEU A 75 -11.859 5.286 -12.745 1.00 71.12 N ATOM 1160 CA LEU A 75 -11.042 5.585 -13.917 1.00 54.54 C ATOM 1161 C LEU A 75 -10.614 7.048 -13.924 1.00 72.34 C ATOM 1162 O LEU A 75 -9.495 7.375 -14.320 1.00 35.41 O ATOM 1163 CB LEU A 75 -11.816 5.261 -15.197 1.00 63.03 C ATOM 1164 CG LEU A 75 -10.987 4.723 -16.364 1.00 74.14 C ATOM 1165 CD1 LEU A 75 -11.409 3.303 -16.707 1.00 3.25 C ATOM 1166 CD2 LEU A 75 -11.123 5.631 -17.577 1.00 10.21 C ATOM 0 H LEU A 75 -12.853 5.170 -12.942 1.00 71.12 H new ATOM 0 HA LEU A 75 -10.147 4.965 -13.874 1.00 54.54 H new ATOM 0 HB2 LEU A 75 -12.586 4.528 -14.956 1.00 63.03 H new ATOM 0 HB3 LEU A 75 -12.328 6.165 -15.527 1.00 63.03 H new ATOM 0 HG LEU A 75 -9.939 4.706 -16.065 1.00 74.14 H new ATOM 0 HD11 LEU A 75 -10.809 2.936 -17.540 1.00 3.25 H new ATOM 0 HD12 LEU A 75 -11.259 2.659 -15.840 1.00 3.25 H new ATOM 0 HD13 LEU A 75 -12.462 3.294 -16.988 1.00 3.25 H new ATOM 0 HD21 LEU A 75 -10.527 5.233 -18.398 1.00 10.21 H new ATOM 0 HD22 LEU A 75 -12.169 5.680 -17.879 1.00 10.21 H new ATOM 0 HD23 LEU A 75 -10.771 6.631 -17.324 1.00 10.21 H new ATOM 1178 N ARG A 76 -11.510 7.924 -13.482 1.00 12.20 N ATOM 1179 CA ARG A 76 -11.225 9.353 -13.436 1.00 5.23 C ATOM 1180 C ARG A 76 -10.066 9.646 -12.489 1.00 5.24 C ATOM 1181 O ARG A 76 -9.093 10.302 -12.865 1.00 12.01 O ATOM 1182 CB ARG A 76 -12.467 10.129 -12.995 1.00 41.12 C ATOM 1183 CG ARG A 76 -13.527 10.248 -14.077 1.00 50.32 C ATOM 1184 CD ARG A 76 -14.533 11.342 -13.753 1.00 54.01 C ATOM 1185 NE ARG A 76 -14.083 12.653 -14.212 1.00 31.34 N ATOM 1186 CZ ARG A 76 -14.756 13.778 -13.998 1.00 73.11 C ATOM 1187 NH1 ARG A 76 -15.904 13.751 -13.334 1.00 20.22 N ATOM 1188 NH2 ARG A 76 -14.282 14.932 -14.448 1.00 33.32 N ATOM 0 H ARG A 76 -12.440 7.669 -13.150 1.00 12.20 H new ATOM 0 HA ARG A 76 -10.942 9.674 -14.439 1.00 5.23 H new ATOM 0 HB2 ARG A 76 -12.902 9.638 -12.125 1.00 41.12 H new ATOM 0 HB3 ARG A 76 -12.168 11.129 -12.680 1.00 41.12 H new ATOM 0 HG2 ARG A 76 -13.050 10.462 -15.033 1.00 50.32 H new ATOM 0 HG3 ARG A 76 -14.046 9.296 -14.186 1.00 50.32 H new ATOM 0 HD2 ARG A 76 -15.490 11.104 -14.218 1.00 54.01 H new ATOM 0 HD3 ARG A 76 -14.701 11.373 -12.676 1.00 54.01 H new ATOM 0 HE ARG A 76 -13.203 12.708 -14.725 1.00 31.34 H new ATOM 0 HH11 ARG A 76 -16.272 12.865 -12.987 1.00 20.22 H new ATOM 0 HH12 ARG A 76 -16.419 14.616 -13.171 1.00 20.22 H new ATOM 0 HH21 ARG A 76 -13.400 14.956 -14.959 1.00 33.32 H new ATOM 0 HH22 ARG A 76 -14.800 15.795 -14.283 1.00 33.32 H new ATOM 1202 N SER A 77 -10.175 9.155 -11.259 1.00 45.41 N ATOM 1203 CA SER A 77 -9.137 9.367 -10.256 1.00 10.13 C ATOM 1204 C SER A 77 -7.773 8.937 -10.786 1.00 4.54 C ATOM 1205 O SER A 77 -6.791 9.671 -10.676 1.00 20.13 O ATOM 1206 CB SER A 77 -9.468 8.595 -8.978 1.00 43.43 C ATOM 1207 OG SER A 77 -10.290 9.362 -8.116 1.00 13.12 O ATOM 0 H SER A 77 -10.971 8.608 -10.933 1.00 45.41 H new ATOM 0 HA SER A 77 -9.099 10.432 -10.028 1.00 10.13 H new ATOM 0 HB2 SER A 77 -9.973 7.663 -9.233 1.00 43.43 H new ATOM 0 HB3 SER A 77 -8.546 8.327 -8.462 1.00 43.43 H new ATOM 0 HG SER A 77 -10.488 8.845 -7.307 1.00 13.12 H new ATOM 1213 N LEU A 78 -7.720 7.740 -11.362 1.00 63.41 N ATOM 1214 CA LEU A 78 -6.476 7.209 -11.910 1.00 74.41 C ATOM 1215 C LEU A 78 -5.912 8.139 -12.980 1.00 51.41 C ATOM 1216 O LEU A 78 -4.764 8.574 -12.895 1.00 0.35 O ATOM 1217 CB LEU A 78 -6.709 5.817 -12.498 1.00 31.24 C ATOM 1218 CG LEU A 78 -6.170 4.643 -11.680 1.00 34.02 C ATOM 1219 CD1 LEU A 78 -4.689 4.831 -11.388 1.00 33.34 C ATOM 1220 CD2 LEU A 78 -6.955 4.490 -10.385 1.00 34.41 C ATOM 0 H LEU A 78 -8.523 7.119 -11.461 1.00 63.41 H new ATOM 0 HA LEU A 78 -5.751 7.137 -11.099 1.00 74.41 H new ATOM 0 HB2 LEU A 78 -7.781 5.677 -12.634 1.00 31.24 H new ATOM 0 HB3 LEU A 78 -6.255 5.782 -13.488 1.00 31.24 H new ATOM 0 HG LEU A 78 -6.291 3.731 -12.265 1.00 34.02 H new ATOM 0 HD11 LEU A 78 -4.323 3.986 -10.805 1.00 33.34 H new ATOM 0 HD12 LEU A 78 -4.138 4.890 -12.326 1.00 33.34 H new ATOM 0 HD13 LEU A 78 -4.544 5.752 -10.823 1.00 33.34 H new ATOM 0 HD21 LEU A 78 -6.558 3.650 -9.816 1.00 34.41 H new ATOM 0 HD22 LEU A 78 -6.866 5.402 -9.795 1.00 34.41 H new ATOM 0 HD23 LEU A 78 -8.005 4.308 -10.615 1.00 34.41 H new ATOM 1232 N TYR A 79 -6.728 8.440 -13.984 1.00 42.05 N ATOM 1233 CA TYR A 79 -6.311 9.318 -15.070 1.00 64.44 C ATOM 1234 C TYR A 79 -5.764 10.635 -14.527 1.00 3.02 C ATOM 1235 O TYR A 79 -4.620 11.001 -14.793 1.00 12.34 O ATOM 1236 CB TYR A 79 -7.484 9.590 -16.013 1.00 30.52 C ATOM 1237 CG TYR A 79 -7.064 10.133 -17.360 1.00 32.35 C ATOM 1238 CD1 TYR A 79 -6.266 9.384 -18.215 1.00 2.12 C ATOM 1239 CD2 TYR A 79 -7.465 11.396 -17.778 1.00 22.30 C ATOM 1240 CE1 TYR A 79 -5.879 9.877 -19.447 1.00 14.53 C ATOM 1241 CE2 TYR A 79 -7.084 11.896 -19.009 1.00 71.44 C ATOM 1242 CZ TYR A 79 -6.291 11.133 -19.839 1.00 60.22 C ATOM 1243 OH TYR A 79 -5.909 11.628 -21.064 1.00 11.05 O ATOM 0 H TYR A 79 -7.682 8.089 -14.068 1.00 42.05 H new ATOM 0 HA TYR A 79 -5.517 8.817 -15.624 1.00 64.44 H new ATOM 0 HB2 TYR A 79 -8.042 8.666 -16.161 1.00 30.52 H new ATOM 0 HB3 TYR A 79 -8.163 10.300 -15.540 1.00 30.52 H new ATOM 0 HD1 TYR A 79 -5.942 8.399 -17.912 1.00 2.12 H new ATOM 0 HD2 TYR A 79 -8.085 11.997 -17.130 1.00 22.30 H new ATOM 0 HE1 TYR A 79 -5.257 9.282 -20.099 1.00 14.53 H new ATOM 0 HE2 TYR A 79 -7.406 12.879 -19.319 1.00 71.44 H new ATOM 0 HH TYR A 79 -6.285 12.525 -21.186 1.00 11.05 H new ATOM 1253 N ASN A 80 -6.590 11.342 -13.764 1.00 55.12 N ATOM 1254 CA ASN A 80 -6.192 12.619 -13.183 1.00 45.55 C ATOM 1255 C ASN A 80 -4.851 12.494 -12.465 1.00 43.21 C ATOM 1256 O ASN A 80 -3.914 13.243 -12.741 1.00 4.41 O ATOM 1257 CB ASN A 80 -7.261 13.115 -12.207 1.00 21.11 C ATOM 1258 CG ASN A 80 -8.199 14.124 -12.842 1.00 10.32 C ATOM 1259 OD1 ASN A 80 -8.429 15.203 -12.296 1.00 11.52 O ATOM 1260 ND2 ASN A 80 -8.745 13.774 -14.001 1.00 72.42 N ATOM 0 H ASN A 80 -7.540 11.052 -13.533 1.00 55.12 H new ATOM 0 HA ASN A 80 -6.086 13.341 -13.992 1.00 45.55 H new ATOM 0 HB2 ASN A 80 -7.838 12.266 -11.842 1.00 21.11 H new ATOM 0 HB3 ASN A 80 -6.777 13.567 -11.341 1.00 21.11 H new ATOM 0 HD21 ASN A 80 -9.385 14.411 -14.476 1.00 72.42 H new ATOM 0 HD22 ASN A 80 -8.525 12.869 -14.416 1.00 72.42 H new ATOM 1267 N THR A 81 -4.766 11.541 -11.542 1.00 13.30 N ATOM 1268 CA THR A 81 -3.542 11.318 -10.784 1.00 64.14 C ATOM 1269 C THR A 81 -2.372 11.004 -11.709 1.00 0.41 C ATOM 1270 O THR A 81 -1.389 11.744 -11.755 1.00 33.55 O ATOM 1271 CB THR A 81 -3.707 10.165 -9.776 1.00 70.33 C ATOM 1272 OG1 THR A 81 -4.881 10.373 -8.981 1.00 21.43 O ATOM 1273 CG2 THR A 81 -2.490 10.058 -8.871 1.00 24.12 C ATOM 0 H THR A 81 -5.531 10.911 -11.302 1.00 13.30 H new ATOM 0 HA THR A 81 -3.335 12.240 -10.240 1.00 64.14 H new ATOM 0 HB THR A 81 -3.807 9.235 -10.336 1.00 70.33 H new ATOM 0 HG1 THR A 81 -5.654 9.970 -9.428 1.00 21.43 H new ATOM 0 HG21 THR A 81 -2.630 9.237 -8.168 1.00 24.12 H new ATOM 0 HG22 THR A 81 -1.602 9.871 -9.475 1.00 24.12 H new ATOM 0 HG23 THR A 81 -2.363 10.990 -8.320 1.00 24.12 H new ATOM 1281 N ILE A 82 -2.484 9.903 -12.445 1.00 73.25 N ATOM 1282 CA ILE A 82 -1.435 9.494 -13.371 1.00 53.31 C ATOM 1283 C ILE A 82 -0.962 10.669 -14.220 1.00 15.20 C ATOM 1284 O ILE A 82 0.237 10.875 -14.400 1.00 73.22 O ATOM 1285 CB ILE A 82 -1.915 8.363 -14.300 1.00 44.42 C ATOM 1286 CG1 ILE A 82 -2.324 7.138 -13.479 1.00 53.30 C ATOM 1287 CG2 ILE A 82 -0.825 7.998 -15.297 1.00 62.23 C ATOM 1288 CD1 ILE A 82 -3.329 6.250 -14.178 1.00 70.43 C ATOM 0 H ILE A 82 -3.290 9.279 -12.418 1.00 73.25 H new ATOM 0 HA ILE A 82 -0.605 9.129 -12.767 1.00 53.31 H new ATOM 0 HB ILE A 82 -2.786 8.713 -14.854 1.00 44.42 H new ATOM 0 HG12 ILE A 82 -1.434 6.553 -13.247 1.00 53.30 H new ATOM 0 HG13 ILE A 82 -2.744 7.471 -12.530 1.00 53.30 H new ATOM 0 HG21 ILE A 82 -1.179 7.197 -15.946 1.00 62.23 H new ATOM 0 HG22 ILE A 82 -0.576 8.871 -15.900 1.00 62.23 H new ATOM 0 HG23 ILE A 82 0.062 7.663 -14.760 1.00 62.23 H new ATOM 0 HD11 ILE A 82 -3.573 5.402 -13.538 1.00 70.43 H new ATOM 0 HD12 ILE A 82 -4.235 6.819 -14.386 1.00 70.43 H new ATOM 0 HD13 ILE A 82 -2.905 5.887 -15.114 1.00 70.43 H new ATOM 1300 N ALA A 83 -1.915 11.436 -14.740 1.00 3.14 N ATOM 1301 CA ALA A 83 -1.596 12.593 -15.569 1.00 51.24 C ATOM 1302 C ALA A 83 -0.560 13.484 -14.892 1.00 62.14 C ATOM 1303 O ALA A 83 0.458 13.834 -15.489 1.00 42.24 O ATOM 1304 CB ALA A 83 -2.858 13.386 -15.874 1.00 21.21 C ATOM 0 H ALA A 83 -2.913 11.278 -14.602 1.00 3.14 H new ATOM 0 HA ALA A 83 -1.170 12.233 -16.506 1.00 51.24 H new ATOM 0 HB1 ALA A 83 -2.606 14.247 -16.493 1.00 21.21 H new ATOM 0 HB2 ALA A 83 -3.567 12.751 -16.406 1.00 21.21 H new ATOM 0 HB3 ALA A 83 -3.307 13.729 -14.942 1.00 21.21 H new ATOM 1310 N VAL A 84 -0.826 13.848 -13.641 1.00 71.34 N ATOM 1311 CA VAL A 84 0.084 14.698 -12.882 1.00 31.33 C ATOM 1312 C VAL A 84 1.457 14.050 -12.747 1.00 1.44 C ATOM 1313 O VAL A 84 2.486 14.712 -12.895 1.00 44.42 O ATOM 1314 CB VAL A 84 -0.469 15.000 -11.478 1.00 34.40 C ATOM 1315 CG1 VAL A 84 0.519 15.842 -10.683 1.00 14.42 C ATOM 1316 CG2 VAL A 84 -1.817 15.699 -11.575 1.00 15.35 C ATOM 0 H VAL A 84 -1.664 13.567 -13.132 1.00 71.34 H new ATOM 0 HA VAL A 84 0.179 15.632 -13.435 1.00 31.33 H new ATOM 0 HB VAL A 84 -0.611 14.055 -10.953 1.00 34.40 H new ATOM 0 HG11 VAL A 84 0.110 16.045 -9.693 1.00 14.42 H new ATOM 0 HG12 VAL A 84 1.460 15.301 -10.583 1.00 14.42 H new ATOM 0 HG13 VAL A 84 0.695 16.784 -11.203 1.00 14.42 H new ATOM 0 HG21 VAL A 84 -2.193 15.905 -10.573 1.00 15.35 H new ATOM 0 HG22 VAL A 84 -1.702 16.636 -12.119 1.00 15.35 H new ATOM 0 HG23 VAL A 84 -2.523 15.057 -12.103 1.00 15.35 H new ATOM 1326 N LEU A 85 1.467 12.752 -12.465 1.00 25.22 N ATOM 1327 CA LEU A 85 2.714 12.012 -12.310 1.00 42.45 C ATOM 1328 C LEU A 85 3.527 12.036 -13.601 1.00 30.11 C ATOM 1329 O LEU A 85 4.707 12.388 -13.598 1.00 70.14 O ATOM 1330 CB LEU A 85 2.425 10.566 -11.903 1.00 43.50 C ATOM 1331 CG LEU A 85 3.582 9.809 -11.249 1.00 40.12 C ATOM 1332 CD1 LEU A 85 3.948 10.441 -9.915 1.00 74.22 C ATOM 1333 CD2 LEU A 85 3.223 8.342 -11.064 1.00 30.12 C ATOM 0 H LEU A 85 0.625 12.190 -12.339 1.00 25.22 H new ATOM 0 HA LEU A 85 3.298 12.494 -11.526 1.00 42.45 H new ATOM 0 HB2 LEU A 85 1.581 10.565 -11.213 1.00 43.50 H new ATOM 0 HB3 LEU A 85 2.112 10.015 -12.790 1.00 43.50 H new ATOM 0 HG LEU A 85 4.449 9.871 -11.907 1.00 40.12 H new ATOM 0 HD11 LEU A 85 4.773 9.889 -9.465 1.00 74.22 H new ATOM 0 HD12 LEU A 85 4.248 11.477 -10.073 1.00 74.22 H new ATOM 0 HD13 LEU A 85 3.085 10.411 -9.249 1.00 74.22 H new ATOM 0 HD21 LEU A 85 4.058 7.819 -10.597 1.00 30.12 H new ATOM 0 HD22 LEU A 85 2.342 8.260 -10.427 1.00 30.12 H new ATOM 0 HD23 LEU A 85 3.011 7.894 -12.035 1.00 30.12 H new ATOM 1345 N TYR A 86 2.887 11.662 -14.703 1.00 31.13 N ATOM 1346 CA TYR A 86 3.549 11.641 -16.002 1.00 61.10 C ATOM 1347 C TYR A 86 4.232 12.975 -16.287 1.00 75.44 C ATOM 1348 O TYR A 86 5.398 13.017 -16.680 1.00 61.52 O ATOM 1349 CB TYR A 86 2.541 11.325 -17.107 1.00 41.13 C ATOM 1350 CG TYR A 86 3.042 11.651 -18.496 1.00 43.25 C ATOM 1351 CD1 TYR A 86 4.036 10.887 -19.094 1.00 65.12 C ATOM 1352 CD2 TYR A 86 2.521 12.723 -19.210 1.00 42.10 C ATOM 1353 CE1 TYR A 86 4.498 11.181 -20.362 1.00 33.24 C ATOM 1354 CE2 TYR A 86 2.975 13.024 -20.479 1.00 5.34 C ATOM 1355 CZ TYR A 86 3.964 12.251 -21.050 1.00 10.03 C ATOM 1356 OH TYR A 86 4.420 12.547 -22.315 1.00 22.11 O ATOM 0 H TYR A 86 1.910 11.369 -14.723 1.00 31.13 H new ATOM 0 HA TYR A 86 4.310 10.861 -15.981 1.00 61.10 H new ATOM 0 HB2 TYR A 86 2.285 10.266 -17.062 1.00 41.13 H new ATOM 0 HB3 TYR A 86 1.624 11.883 -16.921 1.00 41.13 H new ATOM 0 HD1 TYR A 86 4.455 10.048 -18.558 1.00 65.12 H new ATOM 0 HD2 TYR A 86 1.748 13.331 -18.765 1.00 42.10 H new ATOM 0 HE1 TYR A 86 5.272 10.577 -20.812 1.00 33.24 H new ATOM 0 HE2 TYR A 86 2.558 13.860 -21.021 1.00 5.34 H new ATOM 0 HH TYR A 86 3.941 13.329 -22.661 1.00 22.11 H new ATOM 1366 N CYS A 87 3.496 14.063 -16.085 1.00 3.32 N ATOM 1367 CA CYS A 87 4.029 15.400 -16.320 1.00 63.31 C ATOM 1368 C CYS A 87 5.264 15.652 -15.462 1.00 63.35 C ATOM 1369 O CYS A 87 6.285 16.136 -15.950 1.00 44.41 O ATOM 1370 CB CYS A 87 2.963 16.456 -16.024 1.00 34.55 C ATOM 1371 SG CYS A 87 1.874 16.817 -17.423 1.00 62.52 S ATOM 0 H CYS A 87 2.530 14.045 -15.759 1.00 3.32 H new ATOM 0 HA CYS A 87 4.318 15.470 -17.369 1.00 63.31 H new ATOM 0 HB2 CYS A 87 2.357 16.119 -15.183 1.00 34.55 H new ATOM 0 HB3 CYS A 87 3.456 17.377 -15.713 1.00 34.55 H new ATOM 0 HG CYS A 87 1.005 17.719 -17.075 1.00 62.52 H new ATOM 1377 N VAL A 88 5.162 15.325 -14.177 1.00 4.52 N ATOM 1378 CA VAL A 88 6.271 15.515 -13.249 1.00 72.24 C ATOM 1379 C VAL A 88 7.562 14.929 -13.807 1.00 65.13 C ATOM 1380 O VAL A 88 8.634 15.518 -13.669 1.00 44.24 O ATOM 1381 CB VAL A 88 5.974 14.871 -11.881 1.00 4.15 C ATOM 1382 CG1 VAL A 88 7.177 15.002 -10.958 1.00 14.35 C ATOM 1383 CG2 VAL A 88 4.739 15.497 -11.254 1.00 72.43 C ATOM 0 H VAL A 88 4.323 14.927 -13.755 1.00 4.52 H new ATOM 0 HA VAL A 88 6.393 16.590 -13.117 1.00 72.24 H new ATOM 0 HB VAL A 88 5.776 13.810 -12.033 1.00 4.15 H new ATOM 0 HG11 VAL A 88 6.950 14.542 -9.996 1.00 14.35 H new ATOM 0 HG12 VAL A 88 8.035 14.501 -11.406 1.00 14.35 H new ATOM 0 HG13 VAL A 88 7.409 16.057 -10.810 1.00 14.35 H new ATOM 0 HG21 VAL A 88 4.545 15.030 -10.289 1.00 72.43 H new ATOM 0 HG22 VAL A 88 4.904 16.565 -11.114 1.00 72.43 H new ATOM 0 HG23 VAL A 88 3.882 15.345 -11.910 1.00 72.43 H new ATOM 1393 N HIS A 89 7.452 13.764 -14.438 1.00 4.23 N ATOM 1394 CA HIS A 89 8.612 13.096 -15.020 1.00 50.23 C ATOM 1395 C HIS A 89 9.119 13.857 -16.241 1.00 23.14 C ATOM 1396 O HIS A 89 10.339 13.919 -16.401 1.00 52.40 O ATOM 1397 CB HIS A 89 8.259 11.660 -15.409 1.00 31.12 C ATOM 1398 CG HIS A 89 8.072 10.750 -14.234 1.00 53.11 C ATOM 1399 ND1 HIS A 89 8.645 10.984 -13.002 1.00 31.15 N ATOM 1400 CD2 HIS A 89 7.371 9.600 -14.108 1.00 14.42 C ATOM 1401 CE1 HIS A 89 8.304 10.017 -12.170 1.00 51.32 C ATOM 1402 NE2 HIS A 89 7.530 9.164 -12.816 1.00 0.54 N ATOM 0 H HIS A 89 6.572 13.263 -14.560 1.00 4.23 H new ATOM 0 HA HIS A 89 9.404 13.076 -14.271 1.00 50.23 H new ATOM 0 HB2 HIS A 89 7.344 11.667 -16.002 1.00 31.12 H new ATOM 0 HB3 HIS A 89 9.048 11.260 -16.046 1.00 31.12 H new ATOM 0 HD1 HIS A 89 9.239 11.780 -12.770 1.00 31.15 H new ATOM 0 HD2 HIS A 89 6.793 9.115 -14.881 1.00 14.42 H new ATOM 0 HE1 HIS A 89 8.607 9.937 -11.136 1.00 51.32 H new ATOM 0 HE2 HIS A 89 7.118 8.319 -12.420 1.00 0.54 H new ATOM 1411 N GLN A 90 8.250 14.415 -17.076 1.00 24.32 N ATOM 1412 CA GLN A 90 8.689 15.151 -18.257 1.00 11.43 C ATOM 1413 C GLN A 90 9.216 16.530 -17.875 1.00 53.32 C ATOM 1414 O GLN A 90 9.400 17.394 -18.731 1.00 30.44 O ATOM 1415 CB GLN A 90 7.538 15.290 -19.255 1.00 44.15 C ATOM 1416 CG GLN A 90 7.981 15.747 -20.635 1.00 45.10 C ATOM 1417 CD GLN A 90 7.314 14.966 -21.751 1.00 72.14 C ATOM 1418 OE1 GLN A 90 7.948 14.143 -22.412 1.00 14.01 O ATOM 1419 NE2 GLN A 90 6.028 15.220 -21.964 1.00 62.11 N ATOM 0 H GLN A 90 7.238 14.372 -16.958 1.00 24.32 H new ATOM 0 HA GLN A 90 9.499 14.589 -18.723 1.00 11.43 H new ATOM 0 HB2 GLN A 90 7.029 14.331 -19.345 1.00 44.15 H new ATOM 0 HB3 GLN A 90 6.811 16.001 -18.862 1.00 44.15 H new ATOM 0 HG2 GLN A 90 7.754 16.807 -20.753 1.00 45.10 H new ATOM 0 HG3 GLN A 90 9.063 15.641 -20.719 1.00 45.10 H new ATOM 0 HE21 GLN A 90 5.543 15.911 -21.391 1.00 62.11 H new ATOM 0 HE22 GLN A 90 5.525 14.724 -22.700 1.00 62.11 H new ATOM 1428 N ARG A 91 9.455 16.729 -16.582 1.00 23.33 N ATOM 1429 CA ARG A 91 9.959 18.004 -16.087 1.00 42.10 C ATOM 1430 C ARG A 91 8.829 19.019 -15.950 1.00 33.12 C ATOM 1431 O ARG A 91 9.062 20.183 -15.621 1.00 42.31 O ATOM 1432 CB ARG A 91 11.038 18.549 -17.024 1.00 24.51 C ATOM 1433 CG ARG A 91 12.133 19.323 -16.307 1.00 70.31 C ATOM 1434 CD ARG A 91 12.861 20.264 -17.255 1.00 2.53 C ATOM 1435 NE ARG A 91 14.302 20.022 -17.265 1.00 64.20 N ATOM 1436 CZ ARG A 91 14.879 19.053 -17.967 1.00 42.43 C ATOM 1437 NH1 ARG A 91 14.143 18.239 -18.711 1.00 63.22 N ATOM 1438 NH2 ARG A 91 16.196 18.896 -17.925 1.00 51.32 N ATOM 0 H ARG A 91 9.308 16.024 -15.860 1.00 23.33 H new ATOM 0 HA ARG A 91 10.394 17.836 -15.102 1.00 42.10 H new ATOM 0 HB2 ARG A 91 11.488 17.719 -17.568 1.00 24.51 H new ATOM 0 HB3 ARG A 91 10.570 19.199 -17.764 1.00 24.51 H new ATOM 0 HG2 ARG A 91 11.699 19.895 -15.487 1.00 70.31 H new ATOM 0 HG3 ARG A 91 12.845 18.625 -15.867 1.00 70.31 H new ATOM 0 HD2 ARG A 91 12.465 20.141 -18.263 1.00 2.53 H new ATOM 0 HD3 ARG A 91 12.668 21.296 -16.961 1.00 2.53 H new ATOM 0 HE ARG A 91 14.897 20.630 -16.702 1.00 64.20 H new ATOM 0 HH11 ARG A 91 13.130 18.356 -18.746 1.00 63.22 H new ATOM 0 HH12 ARG A 91 14.589 17.496 -19.249 1.00 63.22 H new ATOM 0 HH21 ARG A 91 16.766 19.520 -17.353 1.00 51.32 H new ATOM 0 HH22 ARG A 91 16.638 18.152 -18.464 1.00 51.32 H new ATOM 1452 N ILE A 92 7.604 18.571 -16.205 1.00 31.43 N ATOM 1453 CA ILE A 92 6.438 19.441 -16.110 1.00 23.02 C ATOM 1454 C ILE A 92 5.975 19.584 -14.664 1.00 3.24 C ATOM 1455 O ILE A 92 5.809 18.591 -13.953 1.00 22.33 O ATOM 1456 CB ILE A 92 5.269 18.910 -16.961 1.00 22.30 C ATOM 1457 CG1 ILE A 92 5.633 18.948 -18.447 1.00 74.03 C ATOM 1458 CG2 ILE A 92 4.010 19.722 -16.698 1.00 64.14 C ATOM 1459 CD1 ILE A 92 5.018 17.822 -19.249 1.00 71.13 C ATOM 0 H ILE A 92 7.393 17.611 -16.479 1.00 31.43 H new ATOM 0 HA ILE A 92 6.740 20.417 -16.490 1.00 23.02 H new ATOM 0 HB ILE A 92 5.075 17.875 -16.680 1.00 22.30 H new ATOM 0 HG12 ILE A 92 5.311 19.901 -18.867 1.00 74.03 H new ATOM 0 HG13 ILE A 92 6.717 18.905 -18.548 1.00 74.03 H new ATOM 0 HG21 ILE A 92 3.193 19.334 -17.307 1.00 64.14 H new ATOM 0 HG22 ILE A 92 3.743 19.649 -15.644 1.00 64.14 H new ATOM 0 HG23 ILE A 92 4.190 20.766 -16.955 1.00 64.14 H new ATOM 0 HD11 ILE A 92 5.319 17.912 -20.293 1.00 71.13 H new ATOM 0 HD12 ILE A 92 5.360 16.865 -18.854 1.00 71.13 H new ATOM 0 HD13 ILE A 92 3.932 17.876 -19.178 1.00 71.13 H new ATOM 1471 N ASP A 93 5.767 20.824 -14.235 1.00 3.32 N ATOM 1472 CA ASP A 93 5.321 21.097 -12.874 1.00 20.12 C ATOM 1473 C ASP A 93 4.008 21.876 -12.879 1.00 43.43 C ATOM 1474 O ASP A 93 3.884 22.906 -12.216 1.00 53.31 O ATOM 1475 CB ASP A 93 6.390 21.880 -12.111 1.00 50.45 C ATOM 1476 CG ASP A 93 6.151 21.878 -10.614 1.00 21.51 C ATOM 1477 OD1 ASP A 93 5.504 20.933 -10.117 1.00 1.34 O ATOM 1478 OD2 ASP A 93 6.610 22.823 -9.938 1.00 1.15 O ATOM 0 H ASP A 93 5.900 21.656 -14.810 1.00 3.32 H new ATOM 0 HA ASP A 93 5.155 20.143 -12.374 1.00 20.12 H new ATOM 0 HB2 ASP A 93 7.370 21.450 -12.320 1.00 50.45 H new ATOM 0 HB3 ASP A 93 6.410 22.908 -12.472 1.00 50.45 H new ATOM 1483 N VAL A 94 3.034 21.377 -13.631 1.00 15.33 N ATOM 1484 CA VAL A 94 1.731 22.025 -13.723 1.00 71.23 C ATOM 1485 C VAL A 94 1.323 22.631 -12.385 1.00 71.32 C ATOM 1486 O VAL A 94 1.608 22.073 -11.325 1.00 64.21 O ATOM 1487 CB VAL A 94 0.642 21.036 -14.178 1.00 14.23 C ATOM 1488 CG1 VAL A 94 0.864 20.624 -15.626 1.00 62.43 C ATOM 1489 CG2 VAL A 94 0.615 19.817 -13.268 1.00 23.30 C ATOM 0 H VAL A 94 3.122 20.526 -14.186 1.00 15.33 H new ATOM 0 HA VAL A 94 1.824 22.818 -14.465 1.00 71.23 H new ATOM 0 HB VAL A 94 -0.325 21.534 -14.111 1.00 14.23 H new ATOM 0 HG11 VAL A 94 0.084 19.925 -15.929 1.00 62.43 H new ATOM 0 HG12 VAL A 94 0.829 21.506 -16.265 1.00 62.43 H new ATOM 0 HG13 VAL A 94 1.838 20.145 -15.723 1.00 62.43 H new ATOM 0 HG21 VAL A 94 -0.161 19.129 -13.604 1.00 23.30 H new ATOM 0 HG22 VAL A 94 1.583 19.317 -13.301 1.00 23.30 H new ATOM 0 HG23 VAL A 94 0.403 20.131 -12.246 1.00 23.30 H new ATOM 1499 N LYS A 95 0.654 23.778 -12.440 1.00 55.03 N ATOM 1500 CA LYS A 95 0.204 24.461 -11.232 1.00 21.23 C ATOM 1501 C LYS A 95 -0.942 23.701 -10.572 1.00 40.33 C ATOM 1502 O LYS A 95 -1.327 24.001 -9.442 1.00 14.43 O ATOM 1503 CB LYS A 95 -0.239 25.887 -11.565 1.00 75.14 C ATOM 1504 CG LYS A 95 0.766 26.659 -12.400 1.00 44.43 C ATOM 1505 CD LYS A 95 0.405 28.132 -12.489 1.00 11.22 C ATOM 1506 CE LYS A 95 -0.688 28.376 -13.517 1.00 32.32 C ATOM 1507 NZ LYS A 95 -0.136 28.502 -14.895 1.00 63.33 N ATOM 0 H LYS A 95 0.411 24.254 -13.309 1.00 55.03 H new ATOM 0 HA LYS A 95 1.039 24.500 -10.533 1.00 21.23 H new ATOM 0 HB2 LYS A 95 -1.188 25.848 -12.100 1.00 75.14 H new ATOM 0 HB3 LYS A 95 -0.419 26.428 -10.636 1.00 75.14 H new ATOM 0 HG2 LYS A 95 1.760 26.553 -11.964 1.00 44.43 H new ATOM 0 HG3 LYS A 95 0.810 26.233 -13.403 1.00 44.43 H new ATOM 0 HD2 LYS A 95 0.074 28.486 -11.513 1.00 11.22 H new ATOM 0 HD3 LYS A 95 1.291 28.710 -12.754 1.00 11.22 H new ATOM 0 HE2 LYS A 95 -1.405 27.555 -13.487 1.00 32.32 H new ATOM 0 HE3 LYS A 95 -1.232 29.284 -13.259 1.00 32.32 H new ATOM 0 HZ1 LYS A 95 -0.913 28.668 -15.566 1.00 63.33 H new ATOM 0 HZ2 LYS A 95 0.529 29.301 -14.931 1.00 63.33 H new ATOM 0 HZ3 LYS A 95 0.362 27.626 -15.151 1.00 63.33 H new ATOM 1521 N ASP A 96 -1.480 22.716 -11.283 1.00 64.21 N ATOM 1522 CA ASP A 96 -2.579 21.911 -10.764 1.00 34.34 C ATOM 1523 C ASP A 96 -2.893 20.750 -11.701 1.00 12.34 C ATOM 1524 O ASP A 96 -2.380 20.684 -12.819 1.00 24.23 O ATOM 1525 CB ASP A 96 -3.826 22.777 -10.571 1.00 74.12 C ATOM 1526 CG ASP A 96 -4.014 23.779 -11.692 1.00 33.11 C ATOM 1527 OD1 ASP A 96 -4.165 23.348 -12.855 1.00 44.21 O ATOM 1528 OD2 ASP A 96 -4.012 24.995 -11.407 1.00 13.31 O ATOM 0 H ASP A 96 -1.173 22.456 -12.220 1.00 64.21 H new ATOM 0 HA ASP A 96 -2.274 21.504 -9.800 1.00 34.34 H new ATOM 0 HB2 ASP A 96 -4.705 22.135 -10.510 1.00 74.12 H new ATOM 0 HB3 ASP A 96 -3.753 23.308 -9.622 1.00 74.12 H new ATOM 1533 N THR A 97 -3.737 19.833 -11.239 1.00 13.14 N ATOM 1534 CA THR A 97 -4.116 18.673 -12.034 1.00 14.43 C ATOM 1535 C THR A 97 -4.965 19.082 -13.233 1.00 23.03 C ATOM 1536 O THR A 97 -5.284 18.258 -14.091 1.00 34.31 O ATOM 1537 CB THR A 97 -4.899 17.645 -11.193 1.00 24.43 C ATOM 1538 OG1 THR A 97 -4.215 17.404 -9.958 1.00 13.03 O ATOM 1539 CG2 THR A 97 -5.063 16.337 -11.952 1.00 31.31 C ATOM 0 H THR A 97 -4.171 19.872 -10.317 1.00 13.14 H new ATOM 0 HA THR A 97 -3.191 18.215 -12.385 1.00 14.43 H new ATOM 0 HB THR A 97 -5.889 18.053 -10.988 1.00 24.43 H new ATOM 0 HG1 THR A 97 -4.130 16.438 -9.814 1.00 13.03 H new ATOM 0 HG21 THR A 97 -5.618 15.628 -11.339 1.00 31.31 H new ATOM 0 HG22 THR A 97 -5.607 16.520 -12.878 1.00 31.31 H new ATOM 0 HG23 THR A 97 -4.081 15.925 -12.184 1.00 31.31 H new ATOM 1547 N LYS A 98 -5.327 20.359 -13.288 1.00 73.31 N ATOM 1548 CA LYS A 98 -6.137 20.879 -14.383 1.00 74.23 C ATOM 1549 C LYS A 98 -5.272 21.189 -15.600 1.00 53.23 C ATOM 1550 O LYS A 98 -5.603 20.806 -16.722 1.00 54.34 O ATOM 1551 CB LYS A 98 -6.883 22.140 -13.939 1.00 53.44 C ATOM 1552 CG LYS A 98 -8.320 22.200 -14.427 1.00 10.04 C ATOM 1553 CD LYS A 98 -8.555 23.404 -15.322 1.00 21.45 C ATOM 1554 CE LYS A 98 -9.765 23.203 -16.223 1.00 44.41 C ATOM 1555 NZ LYS A 98 -10.181 24.470 -16.885 1.00 42.24 N ATOM 0 H LYS A 98 -5.072 21.054 -12.586 1.00 73.31 H new ATOM 0 HA LYS A 98 -6.862 20.114 -14.660 1.00 74.23 H new ATOM 0 HB2 LYS A 98 -6.875 22.192 -12.850 1.00 53.44 H new ATOM 0 HB3 LYS A 98 -6.347 23.016 -14.304 1.00 53.44 H new ATOM 0 HG2 LYS A 98 -8.558 21.287 -14.973 1.00 10.04 H new ATOM 0 HG3 LYS A 98 -8.994 22.244 -13.572 1.00 10.04 H new ATOM 0 HD2 LYS A 98 -8.702 24.292 -14.707 1.00 21.45 H new ATOM 0 HD3 LYS A 98 -7.670 23.582 -15.934 1.00 21.45 H new ATOM 0 HE2 LYS A 98 -9.532 22.456 -16.982 1.00 44.41 H new ATOM 0 HE3 LYS A 98 -10.595 22.811 -15.635 1.00 44.41 H new ATOM 0 HZ1 LYS A 98 -11.008 24.291 -17.490 1.00 42.24 H new ATOM 0 HZ2 LYS A 98 -10.428 25.175 -16.161 1.00 42.24 H new ATOM 0 HZ3 LYS A 98 -9.398 24.831 -17.467 1.00 42.24 H new ATOM 1569 N GLU A 99 -4.163 21.885 -15.371 1.00 50.44 N ATOM 1570 CA GLU A 99 -3.251 22.245 -16.450 1.00 52.22 C ATOM 1571 C GLU A 99 -2.449 21.032 -16.912 1.00 12.10 C ATOM 1572 O GLU A 99 -1.807 21.063 -17.961 1.00 42.51 O ATOM 1573 CB GLU A 99 -2.300 23.355 -15.995 1.00 42.24 C ATOM 1574 CG GLU A 99 -2.791 24.753 -16.331 1.00 10.12 C ATOM 1575 CD GLU A 99 -2.854 25.658 -15.116 1.00 4.31 C ATOM 1576 OE1 GLU A 99 -2.040 25.464 -14.189 1.00 31.32 O ATOM 1577 OE2 GLU A 99 -3.718 26.558 -15.093 1.00 74.51 O ATOM 0 H GLU A 99 -3.875 22.211 -14.448 1.00 50.44 H new ATOM 0 HA GLU A 99 -3.846 22.607 -17.289 1.00 52.22 H new ATOM 0 HB2 GLU A 99 -2.156 23.279 -14.917 1.00 42.24 H new ATOM 0 HB3 GLU A 99 -1.326 23.200 -16.459 1.00 42.24 H new ATOM 0 HG2 GLU A 99 -2.130 25.197 -17.076 1.00 10.12 H new ATOM 0 HG3 GLU A 99 -3.781 24.687 -16.782 1.00 10.12 H new ATOM 1584 N ALA A 100 -2.493 19.964 -16.122 1.00 5.11 N ATOM 1585 CA ALA A 100 -1.773 18.740 -16.450 1.00 24.42 C ATOM 1586 C ALA A 100 -2.561 17.887 -17.438 1.00 33.41 C ATOM 1587 O ALA A 100 -1.984 17.133 -18.222 1.00 55.01 O ATOM 1588 CB ALA A 100 -1.476 17.948 -15.186 1.00 3.31 C ATOM 0 H ALA A 100 -3.020 19.922 -15.250 1.00 5.11 H new ATOM 0 HA ALA A 100 -0.830 19.018 -16.922 1.00 24.42 H new ATOM 0 HB1 ALA A 100 -0.938 17.036 -15.446 1.00 3.31 H new ATOM 0 HB2 ALA A 100 -0.865 18.551 -14.514 1.00 3.31 H new ATOM 0 HB3 ALA A 100 -2.412 17.688 -14.691 1.00 3.31 H new ATOM 1594 N LEU A 101 -3.884 18.012 -17.395 1.00 30.23 N ATOM 1595 CA LEU A 101 -4.752 17.251 -18.287 1.00 34.31 C ATOM 1596 C LEU A 101 -4.817 17.899 -19.667 1.00 51.00 C ATOM 1597 O LEU A 101 -5.011 17.218 -20.674 1.00 13.44 O ATOM 1598 CB LEU A 101 -6.158 17.147 -17.694 1.00 13.12 C ATOM 1599 CG LEU A 101 -6.884 15.819 -17.917 1.00 50.34 C ATOM 1600 CD1 LEU A 101 -7.132 15.588 -19.398 1.00 0.55 C ATOM 1601 CD2 LEU A 101 -6.084 14.669 -17.321 1.00 13.05 C ATOM 0 H LEU A 101 -4.378 18.632 -16.753 1.00 30.23 H new ATOM 0 HA LEU A 101 -4.334 16.250 -18.395 1.00 34.31 H new ATOM 0 HB2 LEU A 101 -6.092 17.326 -16.621 1.00 13.12 H new ATOM 0 HB3 LEU A 101 -6.768 17.947 -18.114 1.00 13.12 H new ATOM 0 HG LEU A 101 -7.849 15.864 -17.412 1.00 50.34 H new ATOM 0 HD11 LEU A 101 -7.649 14.639 -19.537 1.00 0.55 H new ATOM 0 HD12 LEU A 101 -7.746 16.397 -19.795 1.00 0.55 H new ATOM 0 HD13 LEU A 101 -6.179 15.563 -19.927 1.00 0.55 H new ATOM 0 HD21 LEU A 101 -6.614 13.732 -17.488 1.00 13.05 H new ATOM 0 HD22 LEU A 101 -5.105 14.622 -17.797 1.00 13.05 H new ATOM 0 HD23 LEU A 101 -5.959 14.829 -16.250 1.00 13.05 H new ATOM 1613 N ASP A 102 -4.651 19.216 -19.705 1.00 62.23 N ATOM 1614 CA ASP A 102 -4.687 19.955 -20.961 1.00 34.24 C ATOM 1615 C ASP A 102 -3.369 19.811 -21.715 1.00 44.23 C ATOM 1616 O ASP A 102 -3.337 19.837 -22.945 1.00 63.41 O ATOM 1617 CB ASP A 102 -4.981 21.433 -20.701 1.00 50.31 C ATOM 1618 CG ASP A 102 -6.452 21.767 -20.858 1.00 23.52 C ATOM 1619 OD1 ASP A 102 -6.881 22.027 -22.002 1.00 43.14 O ATOM 1620 OD2 ASP A 102 -7.172 21.771 -19.838 1.00 72.43 O ATOM 0 H ASP A 102 -4.490 19.794 -18.880 1.00 62.23 H new ATOM 0 HA ASP A 102 -5.484 19.537 -21.576 1.00 34.24 H new ATOM 0 HB2 ASP A 102 -4.658 21.693 -19.693 1.00 50.31 H new ATOM 0 HB3 ASP A 102 -4.397 22.043 -21.390 1.00 50.31 H new ATOM 1625 N LYS A 103 -2.280 19.661 -20.968 1.00 11.30 N ATOM 1626 CA LYS A 103 -0.957 19.512 -21.563 1.00 71.42 C ATOM 1627 C LYS A 103 -0.779 18.117 -22.151 1.00 11.35 C ATOM 1628 O LYS A 103 -0.004 17.923 -23.089 1.00 22.42 O ATOM 1629 CB LYS A 103 0.128 19.779 -20.518 1.00 63.04 C ATOM 1630 CG LYS A 103 0.990 20.991 -20.830 1.00 71.13 C ATOM 1631 CD LYS A 103 0.180 22.276 -20.789 1.00 10.31 C ATOM 1632 CE LYS A 103 1.029 23.482 -21.160 1.00 22.14 C ATOM 1633 NZ LYS A 103 0.621 24.701 -20.410 1.00 34.24 N ATOM 0 H LYS A 103 -2.288 19.639 -19.948 1.00 11.30 H new ATOM 0 HA LYS A 103 -0.864 20.241 -22.368 1.00 71.42 H new ATOM 0 HB2 LYS A 103 -0.343 19.920 -19.545 1.00 63.04 H new ATOM 0 HB3 LYS A 103 0.768 18.900 -20.438 1.00 63.04 H new ATOM 0 HG2 LYS A 103 1.808 21.052 -20.112 1.00 71.13 H new ATOM 0 HG3 LYS A 103 1.440 20.875 -21.816 1.00 71.13 H new ATOM 0 HD2 LYS A 103 -0.663 22.198 -21.476 1.00 10.31 H new ATOM 0 HD3 LYS A 103 -0.234 22.415 -19.790 1.00 10.31 H new ATOM 0 HE2 LYS A 103 2.077 23.264 -20.956 1.00 22.14 H new ATOM 0 HE3 LYS A 103 0.945 23.669 -22.230 1.00 22.14 H new ATOM 0 HZ1 LYS A 103 1.224 25.500 -20.692 1.00 34.24 H new ATOM 0 HZ2 LYS A 103 -0.372 24.924 -20.624 1.00 34.24 H new ATOM 0 HZ3 LYS A 103 0.725 24.532 -19.389 1.00 34.24 H new ATOM 1647 N ILE A 104 -1.501 17.149 -21.598 1.00 43.12 N ATOM 1648 CA ILE A 104 -1.423 15.772 -22.070 1.00 34.21 C ATOM 1649 C ILE A 104 -2.355 15.546 -23.257 1.00 52.42 C ATOM 1650 O ILE A 104 -2.165 14.613 -24.037 1.00 25.41 O ATOM 1651 CB ILE A 104 -1.779 14.773 -20.955 1.00 43.33 C ATOM 1652 CG1 ILE A 104 -0.772 14.876 -19.807 1.00 21.24 C ATOM 1653 CG2 ILE A 104 -1.819 13.356 -21.505 1.00 24.13 C ATOM 1654 CD1 ILE A 104 -1.226 14.186 -18.540 1.00 21.31 C ATOM 0 H ILE A 104 -2.147 17.293 -20.822 1.00 43.12 H new ATOM 0 HA ILE A 104 -0.392 15.602 -22.381 1.00 34.21 H new ATOM 0 HB ILE A 104 -2.768 15.020 -20.570 1.00 43.33 H new ATOM 0 HG12 ILE A 104 0.176 14.444 -20.127 1.00 21.24 H new ATOM 0 HG13 ILE A 104 -0.586 15.928 -19.591 1.00 21.24 H new ATOM 0 HG21 ILE A 104 -2.072 12.662 -20.704 1.00 24.13 H new ATOM 0 HG22 ILE A 104 -2.571 13.292 -22.292 1.00 24.13 H new ATOM 0 HG23 ILE A 104 -0.843 13.097 -21.915 1.00 24.13 H new ATOM 0 HD11 ILE A 104 -0.463 14.300 -17.770 1.00 21.31 H new ATOM 0 HD12 ILE A 104 -2.158 14.634 -18.196 1.00 21.31 H new ATOM 0 HD13 ILE A 104 -1.384 13.126 -18.740 1.00 21.31 H new ATOM 1666 N GLU A 105 -3.360 16.405 -23.385 1.00 14.25 N ATOM 1667 CA GLU A 105 -4.322 16.298 -24.477 1.00 44.03 C ATOM 1668 C GLU A 105 -3.793 16.980 -25.736 1.00 44.30 C ATOM 1669 O GLU A 105 -3.985 16.489 -26.847 1.00 0.32 O ATOM 1670 CB GLU A 105 -5.660 16.919 -24.072 1.00 45.02 C ATOM 1671 CG GLU A 105 -6.729 16.815 -25.146 1.00 71.02 C ATOM 1672 CD GLU A 105 -7.319 15.422 -25.250 1.00 22.20 C ATOM 1673 OE1 GLU A 105 -7.065 14.600 -24.345 1.00 21.23 O ATOM 1674 OE2 GLU A 105 -8.034 15.154 -26.238 1.00 21.25 O ATOM 0 H GLU A 105 -3.530 17.183 -22.747 1.00 14.25 H new ATOM 0 HA GLU A 105 -4.472 15.240 -24.692 1.00 44.03 H new ATOM 0 HB2 GLU A 105 -6.018 16.430 -23.166 1.00 45.02 H new ATOM 0 HB3 GLU A 105 -5.504 17.970 -23.827 1.00 45.02 H new ATOM 0 HG2 GLU A 105 -7.525 17.527 -24.931 1.00 71.02 H new ATOM 0 HG3 GLU A 105 -6.301 17.097 -26.108 1.00 71.02 H new ATOM 1681 N GLU A 106 -3.125 18.115 -25.550 1.00 12.12 N ATOM 1682 CA GLU A 106 -2.569 18.865 -26.671 1.00 14.21 C ATOM 1683 C GLU A 106 -1.529 18.036 -27.418 1.00 31.14 C ATOM 1684 O GLU A 106 -1.376 18.163 -28.633 1.00 41.34 O ATOM 1685 CB GLU A 106 -1.940 20.169 -26.178 1.00 63.11 C ATOM 1686 CG GLU A 106 -1.588 21.136 -27.296 1.00 31.13 C ATOM 1687 CD GLU A 106 -2.290 22.472 -27.155 1.00 64.21 C ATOM 1688 OE1 GLU A 106 -1.872 23.275 -26.295 1.00 54.23 O ATOM 1689 OE2 GLU A 106 -3.258 22.715 -27.906 1.00 11.00 O ATOM 0 H GLU A 106 -2.956 18.534 -24.636 1.00 12.12 H new ATOM 0 HA GLU A 106 -3.382 19.099 -27.358 1.00 14.21 H new ATOM 0 HB2 GLU A 106 -2.630 20.658 -25.490 1.00 63.11 H new ATOM 0 HB3 GLU A 106 -1.038 19.936 -25.613 1.00 63.11 H new ATOM 0 HG2 GLU A 106 -0.510 21.296 -27.307 1.00 31.13 H new ATOM 0 HG3 GLU A 106 -1.854 20.690 -28.254 1.00 31.13 H new ATOM 1696 N GLU A 107 -0.817 17.187 -26.683 1.00 54.00 N ATOM 1697 CA GLU A 107 0.209 16.339 -27.276 1.00 11.23 C ATOM 1698 C GLU A 107 -0.417 15.267 -28.164 1.00 54.41 C ATOM 1699 O GLU A 107 0.124 14.923 -29.215 1.00 71.43 O ATOM 1700 CB GLU A 107 1.054 15.681 -26.183 1.00 32.42 C ATOM 1701 CG GLU A 107 2.252 16.513 -25.756 1.00 32.43 C ATOM 1702 CD GLU A 107 2.271 16.788 -24.266 1.00 42.31 C ATOM 1703 OE1 GLU A 107 2.086 15.832 -23.484 1.00 55.11 O ATOM 1704 OE2 GLU A 107 2.472 17.959 -23.880 1.00 10.55 O ATOM 0 H GLU A 107 -0.932 17.069 -25.676 1.00 54.00 H new ATOM 0 HA GLU A 107 0.851 16.968 -27.892 1.00 11.23 H new ATOM 0 HB2 GLU A 107 0.425 15.492 -25.313 1.00 32.42 H new ATOM 0 HB3 GLU A 107 1.404 14.712 -26.540 1.00 32.42 H new ATOM 0 HG2 GLU A 107 3.168 15.994 -26.037 1.00 32.43 H new ATOM 0 HG3 GLU A 107 2.243 17.460 -26.296 1.00 32.43 H new ATOM 1711 N GLN A 108 -1.560 14.743 -27.732 1.00 30.44 N ATOM 1712 CA GLN A 108 -2.259 13.709 -28.486 1.00 24.44 C ATOM 1713 C GLN A 108 -2.942 14.300 -29.715 1.00 5.15 C ATOM 1714 O GLN A 108 -3.018 13.660 -30.763 1.00 42.10 O ATOM 1715 CB GLN A 108 -3.293 13.012 -27.600 1.00 21.22 C ATOM 1716 CG GLN A 108 -3.627 11.600 -28.051 1.00 75.22 C ATOM 1717 CD GLN A 108 -2.553 10.598 -27.678 1.00 1.33 C ATOM 1718 OE1 GLN A 108 -2.001 10.642 -26.578 1.00 35.12 O ATOM 1719 NE2 GLN A 108 -2.250 9.686 -28.595 1.00 22.31 N ATOM 0 H GLN A 108 -2.021 15.017 -26.865 1.00 30.44 H new ATOM 0 HA GLN A 108 -1.523 12.977 -28.818 1.00 24.44 H new ATOM 0 HB2 GLN A 108 -2.919 12.979 -26.577 1.00 21.22 H new ATOM 0 HB3 GLN A 108 -4.207 13.606 -27.586 1.00 21.22 H new ATOM 0 HG2 GLN A 108 -4.574 11.295 -27.605 1.00 75.22 H new ATOM 0 HG3 GLN A 108 -3.766 11.592 -29.132 1.00 75.22 H new ATOM 0 HE21 GLN A 108 -2.733 9.686 -29.494 1.00 22.31 H new ATOM 0 HE22 GLN A 108 -1.535 8.985 -28.401 1.00 22.31 H new ATOM 1728 N ASN A 109 -3.437 15.526 -29.580 1.00 4.22 N ATOM 1729 CA ASN A 109 -4.113 16.204 -30.680 1.00 52.21 C ATOM 1730 C ASN A 109 -3.208 16.291 -31.905 1.00 64.11 C ATOM 1731 O ASN A 109 -3.671 16.194 -33.042 1.00 61.43 O ATOM 1732 CB ASN A 109 -4.549 17.606 -30.252 1.00 60.42 C ATOM 1733 CG ASN A 109 -5.872 18.014 -30.869 1.00 62.11 C ATOM 1734 OD1 ASN A 109 -6.180 17.648 -32.004 1.00 42.33 O ATOM 1735 ND2 ASN A 109 -6.663 18.777 -30.123 1.00 61.40 N ATOM 0 H ASN A 109 -3.383 16.070 -28.719 1.00 4.22 H new ATOM 0 HA ASN A 109 -4.996 15.622 -30.944 1.00 52.21 H new ATOM 0 HB2 ASN A 109 -4.632 17.642 -29.166 1.00 60.42 H new ATOM 0 HB3 ASN A 109 -3.781 18.325 -30.537 1.00 60.42 H new ATOM 0 HD21 ASN A 109 -7.566 19.083 -30.485 1.00 61.40 H new ATOM 0 HD22 ASN A 109 -6.368 19.057 -29.188 1.00 61.40 H new ATOM 1742 N LYS A 110 -1.914 16.474 -31.665 1.00 24.33 N ATOM 1743 CA LYS A 110 -0.941 16.573 -32.747 1.00 52.10 C ATOM 1744 C LYS A 110 -0.822 15.248 -33.494 1.00 72.14 C ATOM 1745 O LYS A 110 -0.517 15.223 -34.686 1.00 35.21 O ATOM 1746 CB LYS A 110 0.426 16.985 -32.196 1.00 51.35 C ATOM 1747 CG LYS A 110 1.338 17.611 -33.236 1.00 12.31 C ATOM 1748 CD LYS A 110 1.332 19.128 -33.142 1.00 43.42 C ATOM 1749 CE LYS A 110 2.507 19.639 -32.321 1.00 71.10 C ATOM 1750 NZ LYS A 110 2.094 20.021 -30.942 1.00 5.25 N ATOM 0 H LYS A 110 -1.514 16.557 -30.730 1.00 24.33 H new ATOM 0 HA LYS A 110 -1.288 17.334 -33.446 1.00 52.10 H new ATOM 0 HB2 LYS A 110 0.281 17.692 -31.379 1.00 51.35 H new ATOM 0 HB3 LYS A 110 0.918 16.108 -31.775 1.00 51.35 H new ATOM 0 HG2 LYS A 110 2.354 17.241 -33.100 1.00 12.31 H new ATOM 0 HG3 LYS A 110 1.018 17.306 -34.232 1.00 12.31 H new ATOM 0 HD2 LYS A 110 1.373 19.556 -34.144 1.00 43.42 H new ATOM 0 HD3 LYS A 110 0.398 19.462 -32.690 1.00 43.42 H new ATOM 0 HE2 LYS A 110 3.277 18.869 -32.270 1.00 71.10 H new ATOM 0 HE3 LYS A 110 2.951 20.501 -32.819 1.00 71.10 H new ATOM 0 HZ1 LYS A 110 2.922 20.364 -30.414 1.00 5.25 H new ATOM 0 HZ2 LYS A 110 1.378 20.774 -30.990 1.00 5.25 H new ATOM 0 HZ3 LYS A 110 1.693 19.192 -30.458 1.00 5.25 H new ATOM 1764 N SER A 111 -1.065 14.151 -32.785 1.00 42.51 N ATOM 1765 CA SER A 111 -0.982 12.822 -33.381 1.00 4.31 C ATOM 1766 C SER A 111 -2.366 12.195 -33.503 1.00 55.31 C ATOM 1767 O SER A 111 -2.531 10.985 -33.337 1.00 20.30 O ATOM 1768 CB SER A 111 -0.073 11.921 -32.544 1.00 1.31 C ATOM 1769 OG SER A 111 0.234 10.722 -33.236 1.00 75.10 O ATOM 0 H SER A 111 -1.321 14.155 -31.798 1.00 42.51 H new ATOM 0 HA SER A 111 -0.559 12.924 -34.380 1.00 4.31 H new ATOM 0 HB2 SER A 111 0.848 12.452 -32.303 1.00 1.31 H new ATOM 0 HB3 SER A 111 -0.561 11.684 -31.599 1.00 1.31 H new ATOM 0 HG SER A 111 -0.597 10.285 -33.518 1.00 75.10 H new ATOM 1775 N LYS A 112 -3.362 13.025 -33.795 1.00 41.22 N ATOM 1776 CA LYS A 112 -4.735 12.554 -33.942 1.00 44.32 C ATOM 1777 C LYS A 112 -5.123 12.458 -35.414 1.00 62.42 C ATOM 1778 O LYS A 112 -5.755 11.491 -35.838 1.00 31.53 O ATOM 1779 CB LYS A 112 -5.698 13.489 -33.208 1.00 62.32 C ATOM 1780 CG LYS A 112 -6.492 12.805 -32.109 1.00 30.41 C ATOM 1781 CD LYS A 112 -7.979 12.793 -32.420 1.00 13.34 C ATOM 1782 CE LYS A 112 -8.786 12.227 -31.263 1.00 10.41 C ATOM 1783 NZ LYS A 112 -8.860 13.179 -30.120 1.00 43.51 N ATOM 0 H LYS A 112 -3.244 14.028 -33.935 1.00 41.22 H new ATOM 0 HA LYS A 112 -4.800 11.559 -33.503 1.00 44.32 H new ATOM 0 HB2 LYS A 112 -5.131 14.314 -32.776 1.00 62.32 H new ATOM 0 HB3 LYS A 112 -6.391 13.922 -33.929 1.00 62.32 H new ATOM 0 HG2 LYS A 112 -6.137 11.782 -31.985 1.00 30.41 H new ATOM 0 HG3 LYS A 112 -6.321 13.318 -31.163 1.00 30.41 H new ATOM 0 HD2 LYS A 112 -8.314 13.807 -32.637 1.00 13.34 H new ATOM 0 HD3 LYS A 112 -8.160 12.199 -33.316 1.00 13.34 H new ATOM 0 HE2 LYS A 112 -9.794 11.991 -31.605 1.00 10.41 H new ATOM 0 HE3 LYS A 112 -8.335 11.293 -30.929 1.00 10.41 H new ATOM 0 HZ1 LYS A 112 -9.527 12.817 -29.409 1.00 43.51 H new ATOM 0 HZ2 LYS A 112 -7.918 13.280 -29.691 1.00 43.51 H new ATOM 0 HZ3 LYS A 112 -9.187 14.106 -30.461 1.00 43.51 H new ATOM 1797 N LYS A 113 -4.740 13.468 -36.189 1.00 51.34 N ATOM 1798 CA LYS A 113 -5.045 13.497 -37.614 1.00 61.22 C ATOM 1799 C LYS A 113 -4.246 12.436 -38.363 1.00 31.44 C ATOM 1800 O LYS A 113 -4.664 11.959 -39.418 1.00 32.12 O ATOM 1801 CB LYS A 113 -4.744 14.882 -38.192 1.00 3.52 C ATOM 1802 CG LYS A 113 -5.901 15.859 -38.065 1.00 3.54 C ATOM 1803 CD LYS A 113 -5.531 17.232 -38.601 1.00 51.33 C ATOM 1804 CE LYS A 113 -6.713 18.188 -38.543 1.00 32.51 C ATOM 1805 NZ LYS A 113 -7.024 18.766 -39.880 1.00 1.14 N ATOM 0 H LYS A 113 -4.218 14.277 -35.853 1.00 51.34 H new ATOM 0 HA LYS A 113 -6.106 13.281 -37.738 1.00 61.22 H new ATOM 0 HB2 LYS A 113 -3.872 15.296 -37.685 1.00 3.52 H new ATOM 0 HB3 LYS A 113 -4.481 14.778 -39.245 1.00 3.52 H new ATOM 0 HG2 LYS A 113 -6.764 15.475 -38.609 1.00 3.54 H new ATOM 0 HG3 LYS A 113 -6.195 15.943 -37.019 1.00 3.54 H new ATOM 0 HD2 LYS A 113 -4.703 17.639 -38.021 1.00 51.33 H new ATOM 0 HD3 LYS A 113 -5.185 17.141 -39.631 1.00 51.33 H new ATOM 0 HE2 LYS A 113 -7.588 17.661 -38.162 1.00 32.51 H new ATOM 0 HE3 LYS A 113 -6.495 18.993 -37.841 1.00 32.51 H new ATOM 0 HZ1 LYS A 113 -7.835 19.412 -39.799 1.00 1.14 H new ATOM 0 HZ2 LYS A 113 -6.198 19.290 -40.232 1.00 1.14 H new ATOM 0 HZ3 LYS A 113 -7.257 18.000 -40.544 1.00 1.14 H new ATOM 1819 N LYS A 114 -3.093 12.071 -37.812 1.00 32.30 N ATOM 1820 CA LYS A 114 -2.236 11.064 -38.426 1.00 22.55 C ATOM 1821 C LYS A 114 -2.478 9.692 -37.807 1.00 33.22 C ATOM 1822 O LYS A 114 -1.563 8.875 -37.707 1.00 30.25 O ATOM 1823 CB LYS A 114 -0.765 11.454 -38.269 1.00 4.03 C ATOM 1824 CG LYS A 114 0.131 10.908 -39.369 1.00 40.45 C ATOM 1825 CD LYS A 114 0.281 11.900 -40.510 1.00 51.25 C ATOM 1826 CE LYS A 114 1.518 12.767 -40.336 1.00 15.31 C ATOM 1827 NZ LYS A 114 2.529 12.510 -41.398 1.00 41.22 N ATOM 0 H LYS A 114 -2.731 12.458 -36.941 1.00 32.30 H new ATOM 0 HA LYS A 114 -2.481 11.012 -39.487 1.00 22.55 H new ATOM 0 HB2 LYS A 114 -0.686 12.541 -38.254 1.00 4.03 H new ATOM 0 HB3 LYS A 114 -0.403 11.094 -37.306 1.00 4.03 H new ATOM 0 HG2 LYS A 114 1.113 10.674 -38.957 1.00 40.45 H new ATOM 0 HG3 LYS A 114 -0.285 9.975 -39.749 1.00 40.45 H new ATOM 0 HD2 LYS A 114 0.343 11.362 -41.456 1.00 51.25 H new ATOM 0 HD3 LYS A 114 -0.604 12.534 -40.561 1.00 51.25 H new ATOM 0 HE2 LYS A 114 1.230 13.818 -40.355 1.00 15.31 H new ATOM 0 HE3 LYS A 114 1.961 12.576 -39.359 1.00 15.31 H new ATOM 0 HZ1 LYS A 114 3.357 13.120 -41.244 1.00 41.22 H new ATOM 0 HZ2 LYS A 114 2.823 11.513 -41.364 1.00 41.22 H new ATOM 0 HZ3 LYS A 114 2.115 12.717 -42.329 1.00 41.22 H new ATOM 1841 N ALA A 115 -3.717 9.444 -37.396 1.00 55.12 N ATOM 1842 CA ALA A 115 -4.080 8.169 -36.791 1.00 51.45 C ATOM 1843 C ALA A 115 -5.503 7.769 -37.165 1.00 51.41 C ATOM 1844 O ALA A 115 -6.168 7.044 -36.426 1.00 70.24 O ATOM 1845 CB ALA A 115 -3.931 8.241 -35.278 1.00 74.24 C ATOM 0 H ALA A 115 -4.486 10.110 -37.471 1.00 55.12 H new ATOM 0 HA ALA A 115 -3.403 7.407 -37.176 1.00 51.45 H new ATOM 0 HB1 ALA A 115 -4.206 7.282 -34.839 1.00 74.24 H new ATOM 0 HB2 ALA A 115 -2.896 8.473 -35.025 1.00 74.24 H new ATOM 0 HB3 ALA A 115 -4.584 9.020 -34.885 1.00 74.24 H new ATOM 1851 N GLN A 116 -5.963 8.246 -38.317 1.00 54.41 N ATOM 1852 CA GLN A 116 -7.308 7.938 -38.788 1.00 53.41 C ATOM 1853 C GLN A 116 -7.496 8.390 -40.233 1.00 73.13 C ATOM 1854 O GLN A 116 -8.348 9.230 -40.523 1.00 14.14 O ATOM 1855 CB GLN A 116 -8.351 8.608 -37.891 1.00 14.13 C ATOM 1856 CG GLN A 116 -9.774 8.146 -38.163 1.00 50.42 C ATOM 1857 CD GLN A 116 -10.810 9.166 -37.736 1.00 75.15 C ATOM 1858 OE1 GLN A 116 -11.038 10.162 -38.422 1.00 21.12 O ATOM 1859 NE2 GLN A 116 -11.447 8.922 -36.595 1.00 25.23 N ATOM 0 H GLN A 116 -5.425 8.847 -38.941 1.00 54.41 H new ATOM 0 HA GLN A 116 -7.442 6.857 -38.745 1.00 53.41 H new ATOM 0 HB2 GLN A 116 -8.105 8.406 -36.848 1.00 14.13 H new ATOM 0 HB3 GLN A 116 -8.296 9.688 -38.028 1.00 14.13 H new ATOM 0 HG2 GLN A 116 -9.888 7.941 -39.228 1.00 50.42 H new ATOM 0 HG3 GLN A 116 -9.954 7.208 -37.637 1.00 50.42 H new ATOM 0 HE21 GLN A 116 -11.227 8.084 -36.057 1.00 25.23 H new ATOM 0 HE22 GLN A 116 -12.156 9.573 -36.257 1.00 25.23 H new ATOM 1868 N GLN A 117 -6.696 7.828 -41.132 1.00 24.35 N ATOM 1869 CA GLN A 117 -6.774 8.175 -42.546 1.00 24.11 C ATOM 1870 C GLN A 117 -7.418 7.050 -43.348 1.00 12.44 C ATOM 1871 O GLN A 117 -8.065 7.292 -44.367 1.00 42.41 O ATOM 1872 CB GLN A 117 -5.378 8.476 -43.097 1.00 73.44 C ATOM 1873 CG GLN A 117 -5.334 9.693 -44.007 1.00 23.32 C ATOM 1874 CD GLN A 117 -4.826 10.934 -43.300 1.00 50.21 C ATOM 1875 OE1 GLN A 117 -5.608 11.784 -42.875 1.00 55.35 O ATOM 1876 NE2 GLN A 117 -3.510 11.044 -43.169 1.00 0.32 N ATOM 0 H GLN A 117 -5.986 7.131 -40.907 1.00 24.35 H new ATOM 0 HA GLN A 117 -7.395 9.066 -42.642 1.00 24.11 H new ATOM 0 HB2 GLN A 117 -4.693 8.631 -42.264 1.00 73.44 H new ATOM 0 HB3 GLN A 117 -5.019 7.607 -43.648 1.00 73.44 H new ATOM 0 HG2 GLN A 117 -4.693 9.479 -44.862 1.00 23.32 H new ATOM 0 HG3 GLN A 117 -6.333 9.886 -44.398 1.00 23.32 H new ATOM 0 HE21 GLN A 117 -2.898 10.315 -43.536 1.00 0.32 H new ATOM 0 HE22 GLN A 117 -3.110 11.857 -42.701 1.00 0.32 H new ATOM 1885 N ALA A 118 -7.236 5.818 -42.882 1.00 25.32 N ATOM 1886 CA ALA A 118 -7.800 4.655 -43.556 1.00 2.30 C ATOM 1887 C ALA A 118 -9.074 4.185 -42.862 1.00 13.34 C ATOM 1888 O ALA A 118 -9.429 3.008 -42.928 1.00 61.42 O ATOM 1889 CB ALA A 118 -6.779 3.528 -43.608 1.00 23.54 C ATOM 0 H ALA A 118 -6.702 5.600 -42.040 1.00 25.32 H new ATOM 0 HA ALA A 118 -8.057 4.945 -44.575 1.00 2.30 H new ATOM 0 HB1 ALA A 118 -7.214 2.666 -44.114 1.00 23.54 H new ATOM 0 HB2 ALA A 118 -5.896 3.862 -44.153 1.00 23.54 H new ATOM 0 HB3 ALA A 118 -6.494 3.248 -42.594 1.00 23.54 H new ATOM 1895 N ALA A 119 -9.757 5.111 -42.199 1.00 32.10 N ATOM 1896 CA ALA A 119 -10.993 4.791 -41.495 1.00 35.00 C ATOM 1897 C ALA A 119 -11.925 5.996 -41.446 1.00 72.42 C ATOM 1898 O ALA A 119 -12.675 6.175 -40.487 1.00 55.11 O ATOM 1899 CB ALA A 119 -10.687 4.301 -40.087 1.00 3.05 C ATOM 0 H ALA A 119 -9.476 6.089 -42.134 1.00 32.10 H new ATOM 0 HA ALA A 119 -11.498 3.996 -42.043 1.00 35.00 H new ATOM 0 HB1 ALA A 119 -11.619 4.066 -39.573 1.00 3.05 H new ATOM 0 HB2 ALA A 119 -10.066 3.407 -40.140 1.00 3.05 H new ATOM 0 HB3 ALA A 119 -10.156 5.079 -39.538 1.00 3.05 H new ATOM 1905 N ALA A 120 -11.872 6.822 -42.486 1.00 75.22 N ATOM 1906 CA ALA A 120 -12.714 8.010 -42.562 1.00 21.02 C ATOM 1907 C ALA A 120 -12.936 8.435 -44.010 1.00 40.31 C ATOM 1908 O ALA A 120 -13.046 9.623 -44.308 1.00 21.31 O ATOM 1909 CB ALA A 120 -12.092 9.148 -41.765 1.00 20.44 C ATOM 0 H ALA A 120 -11.255 6.690 -43.287 1.00 75.22 H new ATOM 0 HA ALA A 120 -13.685 7.766 -42.131 1.00 21.02 H new ATOM 0 HB1 ALA A 120 -12.730 10.029 -41.830 1.00 20.44 H new ATOM 0 HB2 ALA A 120 -11.991 8.849 -40.722 1.00 20.44 H new ATOM 0 HB3 ALA A 120 -11.108 9.382 -42.172 1.00 20.44 H new ATOM 1915 N ASP A 121 -13.000 7.455 -44.905 1.00 4.11 N ATOM 1916 CA ASP A 121 -13.209 7.727 -46.322 1.00 75.33 C ATOM 1917 C ASP A 121 -14.531 7.135 -46.800 1.00 72.33 C ATOM 1918 O ASP A 121 -14.602 6.521 -47.865 1.00 62.14 O ATOM 1919 CB ASP A 121 -12.054 7.160 -47.148 1.00 52.21 C ATOM 1920 CG ASP A 121 -10.749 7.889 -46.897 1.00 53.43 C ATOM 1921 OD1 ASP A 121 -10.752 8.853 -46.104 1.00 61.32 O ATOM 1922 OD2 ASP A 121 -9.725 7.496 -47.494 1.00 4.02 O ATOM 0 H ASP A 121 -12.910 6.466 -44.674 1.00 4.11 H new ATOM 0 HA ASP A 121 -13.246 8.808 -46.457 1.00 75.33 H new ATOM 0 HB2 ASP A 121 -11.927 6.103 -46.912 1.00 52.21 H new ATOM 0 HB3 ASP A 121 -12.304 7.223 -48.207 1.00 52.21 H new ATOM 1927 N THR A 122 -15.580 7.323 -46.004 1.00 73.25 N ATOM 1928 CA THR A 122 -16.899 6.807 -46.343 1.00 15.14 C ATOM 1929 C THR A 122 -17.959 7.899 -46.252 1.00 22.31 C ATOM 1930 O THR A 122 -19.041 7.685 -45.709 1.00 11.43 O ATOM 1931 CB THR A 122 -17.301 5.641 -45.421 1.00 4.30 C ATOM 1932 OG1 THR A 122 -17.218 6.049 -44.051 1.00 3.24 O ATOM 1933 CG2 THR A 122 -16.403 4.434 -45.652 1.00 72.22 C ATOM 0 H THR A 122 -15.540 7.829 -45.120 1.00 73.25 H new ATOM 0 HA THR A 122 -16.841 6.446 -47.370 1.00 15.14 H new ATOM 0 HB THR A 122 -18.328 5.360 -45.654 1.00 4.30 H new ATOM 0 HG1 THR A 122 -17.477 5.303 -43.471 1.00 3.24 H new ATOM 0 HG21 THR A 122 -16.706 3.623 -44.990 1.00 72.22 H new ATOM 0 HG22 THR A 122 -16.491 4.108 -46.688 1.00 72.22 H new ATOM 0 HG23 THR A 122 -15.368 4.705 -45.444 1.00 72.22 H new ATOM 1941 N GLY A 123 -17.639 9.074 -46.787 1.00 25.31 N ATOM 1942 CA GLY A 123 -18.574 10.183 -46.756 1.00 23.12 C ATOM 1943 C GLY A 123 -18.624 10.936 -48.071 1.00 52.32 C ATOM 1944 O GLY A 123 -17.589 11.296 -48.628 1.00 62.20 O ATOM 0 H GLY A 123 -16.749 9.277 -47.241 1.00 25.31 H new ATOM 0 HA2 GLY A 123 -19.569 9.808 -46.517 1.00 23.12 H new ATOM 0 HA3 GLY A 123 -18.292 10.870 -45.958 1.00 23.12 H new ATOM 1948 N ASN A 124 -19.834 11.173 -48.568 1.00 53.52 N ATOM 1949 CA ASN A 124 -20.016 11.886 -49.828 1.00 52.25 C ATOM 1950 C ASN A 124 -20.382 13.346 -49.578 1.00 22.04 C ATOM 1951 O ASN A 124 -20.388 13.808 -48.438 1.00 53.21 O ATOM 1952 CB ASN A 124 -21.104 11.212 -50.666 1.00 51.11 C ATOM 1953 CG ASN A 124 -21.065 9.699 -50.557 1.00 60.40 C ATOM 1954 OD1 ASN A 124 -21.829 9.101 -49.800 1.00 4.13 O ATOM 1955 ND2 ASN A 124 -20.171 9.076 -51.315 1.00 10.20 N ATOM 0 H ASN A 124 -20.702 10.882 -48.118 1.00 53.52 H new ATOM 0 HA ASN A 124 -19.074 11.854 -50.375 1.00 52.25 H new ATOM 0 HB2 ASN A 124 -22.081 11.572 -50.344 1.00 51.11 H new ATOM 0 HB3 ASN A 124 -20.986 11.501 -51.710 1.00 51.11 H new ATOM 0 HD21 ASN A 124 -20.097 8.059 -51.285 1.00 10.20 H new ATOM 0 HD22 ASN A 124 -19.558 9.614 -51.928 1.00 10.20 H new ATOM 1962 N ASN A 125 -20.685 14.066 -50.653 1.00 54.42 N ATOM 1963 CA ASN A 125 -21.052 15.474 -50.551 1.00 53.52 C ATOM 1964 C ASN A 125 -22.429 15.723 -51.160 1.00 2.11 C ATOM 1965 O ASN A 125 -22.885 14.968 -52.019 1.00 64.30 O ATOM 1966 CB ASN A 125 -20.009 16.347 -51.250 1.00 45.22 C ATOM 1967 CG ASN A 125 -19.166 17.138 -50.269 1.00 43.23 C ATOM 1968 OD1 ASN A 125 -18.025 16.775 -49.979 1.00 22.23 O ATOM 1969 ND2 ASN A 125 -19.725 18.225 -49.750 1.00 15.00 N ATOM 0 H ASN A 125 -20.684 13.698 -51.604 1.00 54.42 H new ATOM 0 HA ASN A 125 -21.088 15.738 -49.494 1.00 53.52 H new ATOM 0 HB2 ASN A 125 -19.359 15.716 -51.857 1.00 45.22 H new ATOM 0 HB3 ASN A 125 -20.512 17.035 -51.930 1.00 45.22 H new ATOM 0 HD21 ASN A 125 -19.206 18.796 -49.083 1.00 15.00 H new ATOM 0 HD22 ASN A 125 -20.673 18.489 -50.019 1.00 15.00 H new ATOM 1976 N SER A 126 -23.086 16.786 -50.708 1.00 15.00 N ATOM 1977 CA SER A 126 -24.413 17.133 -51.206 1.00 70.22 C ATOM 1978 C SER A 126 -24.715 18.608 -50.964 1.00 64.33 C ATOM 1979 O SER A 126 -25.233 18.982 -49.912 1.00 51.32 O ATOM 1980 CB SER A 126 -25.477 16.266 -50.530 1.00 1.41 C ATOM 1981 OG SER A 126 -25.331 14.904 -50.893 1.00 25.04 O ATOM 0 H SER A 126 -22.722 17.422 -49.998 1.00 15.00 H new ATOM 0 HA SER A 126 -24.431 16.947 -52.280 1.00 70.22 H new ATOM 0 HB2 SER A 126 -25.399 16.367 -49.448 1.00 1.41 H new ATOM 0 HB3 SER A 126 -26.470 16.617 -50.813 1.00 1.41 H new ATOM 0 HG SER A 126 -24.656 14.824 -51.599 1.00 25.04 H new ATOM 1987 N GLN A 127 -24.386 19.442 -51.946 1.00 74.13 N ATOM 1988 CA GLN A 127 -24.621 20.877 -51.840 1.00 50.05 C ATOM 1989 C GLN A 127 -26.113 21.178 -51.733 1.00 51.43 C ATOM 1990 O GLN A 127 -26.933 20.549 -52.401 1.00 4.31 O ATOM 1991 CB GLN A 127 -24.028 21.603 -53.047 1.00 23.14 C ATOM 1992 CG GLN A 127 -22.814 22.454 -52.709 1.00 30.12 C ATOM 1993 CD GLN A 127 -22.345 23.294 -53.881 1.00 2.24 C ATOM 1994 OE1 GLN A 127 -22.244 22.806 -55.008 1.00 1.13 O ATOM 1995 NE2 GLN A 127 -22.055 24.563 -53.623 1.00 73.14 N ATOM 0 H GLN A 127 -23.956 19.148 -52.823 1.00 74.13 H new ATOM 0 HA GLN A 127 -24.131 21.234 -50.934 1.00 50.05 H new ATOM 0 HB2 GLN A 127 -23.747 20.868 -53.801 1.00 23.14 H new ATOM 0 HB3 GLN A 127 -24.794 22.238 -53.491 1.00 23.14 H new ATOM 0 HG2 GLN A 127 -23.056 23.109 -51.872 1.00 30.12 H new ATOM 0 HG3 GLN A 127 -22.000 21.806 -52.383 1.00 30.12 H new ATOM 0 HE21 GLN A 127 -22.153 24.926 -52.675 1.00 73.14 H new ATOM 0 HE22 GLN A 127 -21.734 25.175 -54.373 1.00 73.14 H new ATOM 2004 N VAL A 128 -26.458 22.145 -50.888 1.00 70.01 N ATOM 2005 CA VAL A 128 -27.851 22.530 -50.695 1.00 65.43 C ATOM 2006 C VAL A 128 -28.023 24.042 -50.798 1.00 44.43 C ATOM 2007 O VAL A 128 -27.043 24.787 -50.819 1.00 70.12 O ATOM 2008 CB VAL A 128 -28.379 22.057 -49.328 1.00 55.31 C ATOM 2009 CG1 VAL A 128 -28.545 20.545 -49.314 1.00 13.44 C ATOM 2010 CG2 VAL A 128 -27.450 22.509 -48.212 1.00 52.13 C ATOM 0 H VAL A 128 -25.792 22.676 -50.327 1.00 70.01 H new ATOM 0 HA VAL A 128 -28.425 22.047 -51.486 1.00 65.43 H new ATOM 0 HB VAL A 128 -29.357 22.508 -49.160 1.00 55.31 H new ATOM 0 HG11 VAL A 128 -28.919 20.229 -48.340 1.00 13.44 H new ATOM 0 HG12 VAL A 128 -29.253 20.250 -50.088 1.00 13.44 H new ATOM 0 HG13 VAL A 128 -27.582 20.071 -49.504 1.00 13.44 H new ATOM 0 HG21 VAL A 128 -27.839 22.166 -47.253 1.00 52.13 H new ATOM 0 HG22 VAL A 128 -26.457 22.089 -48.372 1.00 52.13 H new ATOM 0 HG23 VAL A 128 -27.387 23.597 -48.209 1.00 52.13 H new ATOM 2020 N SER A 129 -29.273 24.486 -50.861 1.00 21.13 N ATOM 2021 CA SER A 129 -29.574 25.909 -50.965 1.00 31.34 C ATOM 2022 C SER A 129 -30.441 26.368 -49.796 1.00 21.43 C ATOM 2023 O SER A 129 -30.959 25.550 -49.037 1.00 61.35 O ATOM 2024 CB SER A 129 -30.281 26.207 -52.289 1.00 41.14 C ATOM 2025 OG SER A 129 -30.210 27.586 -52.605 1.00 31.20 O ATOM 0 H SER A 129 -30.094 23.881 -50.842 1.00 21.13 H new ATOM 0 HA SER A 129 -28.633 26.458 -50.933 1.00 31.34 H new ATOM 0 HB2 SER A 129 -29.824 25.623 -53.088 1.00 41.14 H new ATOM 0 HB3 SER A 129 -31.324 25.898 -52.225 1.00 41.14 H new ATOM 0 HG SER A 129 -30.667 27.751 -53.456 1.00 31.20 H new ATOM 2031 N GLN A 130 -30.594 27.682 -49.662 1.00 42.33 N ATOM 2032 CA GLN A 130 -31.398 28.250 -48.586 1.00 42.24 C ATOM 2033 C GLN A 130 -32.795 27.638 -48.569 1.00 52.35 C ATOM 2034 O GLN A 130 -33.220 27.009 -49.537 1.00 42.24 O ATOM 2035 CB GLN A 130 -31.495 29.769 -48.741 1.00 54.21 C ATOM 2036 CG GLN A 130 -32.225 30.206 -50.001 1.00 3.45 C ATOM 2037 CD GLN A 130 -32.343 31.713 -50.114 1.00 23.24 C ATOM 2038 OE1 GLN A 130 -31.855 32.315 -51.072 1.00 73.34 O ATOM 2039 NE2 GLN A 130 -32.992 32.331 -49.135 1.00 22.34 N ATOM 0 H GLN A 130 -30.173 28.372 -50.284 1.00 42.33 H new ATOM 0 HA GLN A 130 -30.909 28.019 -47.640 1.00 42.24 H new ATOM 0 HB2 GLN A 130 -32.007 30.183 -47.872 1.00 54.21 H new ATOM 0 HB3 GLN A 130 -30.490 30.190 -48.749 1.00 54.21 H new ATOM 0 HG2 GLN A 130 -31.698 29.820 -50.874 1.00 3.45 H new ATOM 0 HG3 GLN A 130 -33.222 29.766 -50.010 1.00 3.45 H new ATOM 0 HE21 GLN A 130 -33.380 31.792 -48.361 1.00 22.34 H new ATOM 0 HE22 GLN A 130 -33.103 33.345 -49.157 1.00 22.34 H new ATOM 2048 N ASN A 131 -33.505 27.827 -47.461 1.00 21.11 N ATOM 2049 CA ASN A 131 -34.853 27.292 -47.317 1.00 55.12 C ATOM 2050 C ASN A 131 -35.812 28.364 -46.808 1.00 32.22 C ATOM 2051 O ASN A 131 -35.482 29.128 -45.901 1.00 42.43 O ATOM 2052 CB ASN A 131 -34.853 26.098 -46.360 1.00 24.21 C ATOM 2053 CG ASN A 131 -34.755 24.773 -47.091 1.00 41.41 C ATOM 2054 OD1 ASN A 131 -35.603 24.445 -47.922 1.00 45.52 O ATOM 2055 ND2 ASN A 131 -33.718 24.003 -46.783 1.00 10.34 N ATOM 0 H ASN A 131 -33.169 28.347 -46.650 1.00 21.11 H new ATOM 0 HA ASN A 131 -35.191 26.962 -48.299 1.00 55.12 H new ATOM 0 HB2 ASN A 131 -34.017 26.191 -45.667 1.00 24.21 H new ATOM 0 HB3 ASN A 131 -35.765 26.114 -45.763 1.00 24.21 H new ATOM 0 HD21 ASN A 131 -33.600 23.099 -47.241 1.00 10.34 H new ATOM 0 HD22 ASN A 131 -33.040 24.315 -46.088 1.00 10.34 H new ATOM 2062 N TYR A 132 -37.001 28.416 -47.399 1.00 51.15 N ATOM 2063 CA TYR A 132 -38.008 29.395 -47.007 1.00 65.10 C ATOM 2064 C TYR A 132 -38.984 28.799 -45.997 1.00 22.02 C ATOM 2065 O TYR A 132 -38.667 28.664 -44.816 1.00 24.44 O ATOM 2066 CB TYR A 132 -38.769 29.895 -48.235 1.00 23.44 C ATOM 2067 CG TYR A 132 -38.898 31.400 -48.298 1.00 25.30 C ATOM 2068 CD1 TYR A 132 -37.771 32.211 -48.371 1.00 51.12 C ATOM 2069 CD2 TYR A 132 -40.145 32.011 -48.285 1.00 63.54 C ATOM 2070 CE1 TYR A 132 -37.884 33.587 -48.427 1.00 2.22 C ATOM 2071 CE2 TYR A 132 -40.267 33.387 -48.342 1.00 10.12 C ATOM 2072 CZ TYR A 132 -39.134 34.170 -48.413 1.00 42.45 C ATOM 2073 OH TYR A 132 -39.251 35.540 -48.470 1.00 4.00 O ATOM 0 H TYR A 132 -37.291 27.791 -48.151 1.00 51.15 H new ATOM 0 HA TYR A 132 -37.497 30.236 -46.538 1.00 65.10 H new ATOM 0 HB2 TYR A 132 -38.261 29.545 -49.134 1.00 23.44 H new ATOM 0 HB3 TYR A 132 -39.765 29.453 -48.239 1.00 23.44 H new ATOM 0 HD1 TYR A 132 -36.791 31.758 -48.384 1.00 51.12 H new ATOM 0 HD2 TYR A 132 -41.035 31.401 -48.229 1.00 63.54 H new ATOM 0 HE1 TYR A 132 -36.998 34.203 -48.481 1.00 2.22 H new ATOM 0 HE2 TYR A 132 -41.244 33.846 -48.331 1.00 10.12 H new ATOM 0 HH TYR A 132 -40.199 35.788 -48.452 1.00 4.00 H new TER 2083 TYR A 132