USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 846 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 GLN : amide:sc= -0.0938 X(o=-0.094,f=-0.56) USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.103 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 13 HIS : no HD1:sc= -7.66! C(o=-7.7!,f=-7.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0786 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 173:sc= 0.415 USER MOD Single : A 34 GLN : amide:sc=-0.00391 X(o=-0.0039,f=0.062) USER MOD Single : A 36 SER OG : rot -138:sc= 0.788 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 91:sc= 1.37! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 70:sc= 0.00829 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 130:sc= 1.61 USER MOD Single : A 61 CYS SG : rot 130:sc= -1.1 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl 145:sc= -0.554 (180deg=-2.52!) USER MOD Single : A 74 ASN : amide:sc= -1.23 K(o=-1.2,f=-7.2!) USER MOD Single : A 78 THR OG1 : rot -33:sc= -2.05! USER MOD Single : A 81 SER OG : rot -140:sc= 1.3 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0189 K(o=-0.019,f=-0.53) USER MOD Single : A 88 GLN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 93 SER OG : rot -77:sc= 0.765 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0313 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 55:sc= 0.071 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 43:sc= 0.226 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.039 -18.698 19.126 1.00 0.00 N ATOM 2 CA GLY A 1 30.949 -18.538 17.685 1.00 0.00 C ATOM 3 C GLY A 1 32.144 -17.751 17.144 1.00 0.00 C ATOM 4 O GLY A 1 32.997 -17.307 17.910 1.00 0.00 O ATOM 0 H1 GLY A 1 31.050 -19.711 19.363 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.913 -18.252 19.471 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.218 -18.246 19.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.909 -19.518 17.209 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.024 -18.021 17.430 1.00 0.00 H new ATOM 8 N SER A 2 32.167 -17.602 15.828 1.00 0.00 N ATOM 9 CA SER A 2 33.244 -16.876 15.175 1.00 0.00 C ATOM 10 C SER A 2 32.785 -15.457 14.832 1.00 0.00 C ATOM 11 O SER A 2 31.601 -15.225 14.593 1.00 0.00 O ATOM 12 CB SER A 2 33.712 -17.603 13.913 1.00 0.00 C ATOM 13 OG SER A 2 33.956 -18.986 14.153 1.00 0.00 O ATOM 0 H SER A 2 31.457 -17.972 15.196 1.00 0.00 H new ATOM 0 HA SER A 2 34.087 -16.822 15.863 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.958 -17.498 13.133 1.00 0.00 H new ATOM 0 HB3 SER A 2 34.623 -17.133 13.541 1.00 0.00 H new ATOM 0 HG SER A 2 34.251 -19.415 13.323 1.00 0.00 H new ATOM 19 N SER A 3 33.747 -14.546 14.818 1.00 0.00 N ATOM 20 CA SER A 3 33.457 -13.157 14.507 1.00 0.00 C ATOM 21 C SER A 3 33.735 -12.882 13.028 1.00 0.00 C ATOM 22 O SER A 3 34.584 -13.533 12.421 1.00 0.00 O ATOM 23 CB SER A 3 34.279 -12.213 15.387 1.00 0.00 C ATOM 24 OG SER A 3 33.574 -11.832 16.565 1.00 0.00 O ATOM 0 H SER A 3 34.728 -14.743 15.017 1.00 0.00 H new ATOM 0 HA SER A 3 32.402 -12.974 14.711 1.00 0.00 H new ATOM 0 HB2 SER A 3 35.214 -12.699 15.665 1.00 0.00 H new ATOM 0 HB3 SER A 3 34.541 -11.322 14.817 1.00 0.00 H new ATOM 0 HG SER A 3 34.133 -11.231 17.101 1.00 0.00 H new ATOM 30 N GLY A 4 33.005 -11.916 12.491 1.00 0.00 N ATOM 31 CA GLY A 4 33.163 -11.547 11.094 1.00 0.00 C ATOM 32 C GLY A 4 32.449 -12.544 10.180 1.00 0.00 C ATOM 33 O GLY A 4 32.979 -13.615 9.889 1.00 0.00 O ATOM 0 H GLY A 4 32.302 -11.377 12.998 1.00 0.00 H new ATOM 0 HA2 GLY A 4 32.762 -10.547 10.931 1.00 0.00 H new ATOM 0 HA3 GLY A 4 34.223 -11.511 10.841 1.00 0.00 H new ATOM 37 N SER A 5 31.256 -12.156 9.751 1.00 0.00 N ATOM 38 CA SER A 5 30.464 -13.002 8.875 1.00 0.00 C ATOM 39 C SER A 5 30.103 -12.241 7.598 1.00 0.00 C ATOM 40 O SER A 5 30.158 -11.013 7.567 1.00 0.00 O ATOM 41 CB SER A 5 29.196 -13.490 9.580 1.00 0.00 C ATOM 42 OG SER A 5 29.493 -14.281 10.727 1.00 0.00 O ATOM 0 H SER A 5 30.819 -11.267 9.994 1.00 0.00 H new ATOM 0 HA SER A 5 31.060 -13.876 8.612 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.594 -12.632 9.878 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.596 -14.074 8.883 1.00 0.00 H new ATOM 0 HG SER A 5 28.658 -14.571 11.149 1.00 0.00 H new ATOM 48 N SER A 6 29.741 -13.002 6.576 1.00 0.00 N ATOM 49 CA SER A 6 29.371 -12.415 5.300 1.00 0.00 C ATOM 50 C SER A 6 27.873 -12.103 5.282 1.00 0.00 C ATOM 51 O SER A 6 27.129 -12.567 6.144 1.00 0.00 O ATOM 52 CB SER A 6 29.734 -13.344 4.140 1.00 0.00 C ATOM 53 OG SER A 6 30.637 -12.729 3.226 1.00 0.00 O ATOM 0 H SER A 6 29.696 -14.021 6.606 1.00 0.00 H new ATOM 0 HA SER A 6 29.930 -11.488 5.175 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.182 -14.257 4.533 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.826 -13.636 3.612 1.00 0.00 H new ATOM 0 HG SER A 6 30.845 -13.355 2.501 1.00 0.00 H new ATOM 59 N GLY A 7 27.476 -11.321 4.289 1.00 0.00 N ATOM 60 CA GLY A 7 26.080 -10.942 4.148 1.00 0.00 C ATOM 61 C GLY A 7 25.484 -11.517 2.861 1.00 0.00 C ATOM 62 O GLY A 7 25.987 -11.257 1.769 1.00 0.00 O ATOM 0 H GLY A 7 28.096 -10.940 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 7 25.513 -11.300 5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.993 -9.855 4.140 1.00 0.00 H new ATOM 66 N ALA A 8 24.420 -12.287 3.033 1.00 0.00 N ATOM 67 CA ALA A 8 23.750 -12.901 1.899 1.00 0.00 C ATOM 68 C ALA A 8 22.334 -13.312 2.310 1.00 0.00 C ATOM 69 O ALA A 8 21.997 -13.294 3.493 1.00 0.00 O ATOM 70 CB ALA A 8 24.577 -14.086 1.396 1.00 0.00 C ATOM 0 H ALA A 8 24.005 -12.500 3.940 1.00 0.00 H new ATOM 0 HA ALA A 8 23.663 -12.192 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 8 24.074 -14.546 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 8 25.563 -13.737 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 8 24.684 -14.820 2.195 1.00 0.00 H new ATOM 76 N GLY A 9 21.543 -13.672 1.310 1.00 0.00 N ATOM 77 CA GLY A 9 20.172 -14.087 1.552 1.00 0.00 C ATOM 78 C GLY A 9 19.554 -14.701 0.295 1.00 0.00 C ATOM 79 O GLY A 9 19.068 -13.983 -0.577 1.00 0.00 O ATOM 0 H GLY A 9 21.826 -13.685 0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 9 20.146 -14.812 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 9 19.580 -13.229 1.871 1.00 0.00 H new ATOM 83 N GLN A 10 19.594 -16.025 0.241 1.00 0.00 N ATOM 84 CA GLN A 10 19.044 -16.744 -0.896 1.00 0.00 C ATOM 85 C GLN A 10 17.638 -16.234 -1.217 1.00 0.00 C ATOM 86 O GLN A 10 17.103 -15.387 -0.504 1.00 0.00 O ATOM 87 CB GLN A 10 19.034 -18.252 -0.638 1.00 0.00 C ATOM 88 CG GLN A 10 18.051 -18.611 0.479 1.00 0.00 C ATOM 89 CD GLN A 10 18.048 -20.118 0.743 1.00 0.00 C ATOM 90 OE1 GLN A 10 18.758 -20.886 0.115 1.00 0.00 O ATOM 91 NE2 GLN A 10 17.212 -20.496 1.706 1.00 0.00 N ATOM 0 H GLN A 10 19.998 -16.618 0.966 1.00 0.00 H new ATOM 0 HA GLN A 10 19.682 -16.560 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 10 18.760 -18.779 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 10 20.036 -18.585 -0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 10 18.321 -18.079 1.391 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.048 -18.284 0.205 1.00 0.00 H new ATOM 0 HE21 GLN A 10 16.646 -19.800 2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 10 17.137 -21.481 1.958 1.00 0.00 H new ATOM 100 N VAL A 11 17.080 -16.770 -2.292 1.00 0.00 N ATOM 101 CA VAL A 11 15.746 -16.380 -2.717 1.00 0.00 C ATOM 102 C VAL A 11 15.663 -14.854 -2.784 1.00 0.00 C ATOM 103 O VAL A 11 16.593 -14.160 -2.375 1.00 0.00 O ATOM 104 CB VAL A 11 14.699 -16.995 -1.786 1.00 0.00 C ATOM 105 CG1 VAL A 11 14.781 -16.380 -0.387 1.00 0.00 C ATOM 106 CG2 VAL A 11 13.292 -16.847 -2.369 1.00 0.00 C ATOM 0 H VAL A 11 17.527 -17.472 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 11 15.537 -16.762 -3.716 1.00 0.00 H new ATOM 0 HB VAL A 11 14.914 -18.060 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.026 -16.834 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.771 -16.561 0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.604 -15.306 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.567 -17.292 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.063 -15.790 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 11 13.242 -17.353 -3.333 1.00 0.00 H new ATOM 116 N VAL A 12 14.542 -14.376 -3.304 1.00 0.00 N ATOM 117 CA VAL A 12 14.326 -12.945 -3.430 1.00 0.00 C ATOM 118 C VAL A 12 13.928 -12.371 -2.069 1.00 0.00 C ATOM 119 O VAL A 12 13.542 -13.114 -1.167 1.00 0.00 O ATOM 120 CB VAL A 12 13.291 -12.666 -4.522 1.00 0.00 C ATOM 121 CG1 VAL A 12 11.872 -12.928 -4.012 1.00 0.00 C ATOM 122 CG2 VAL A 12 13.427 -11.239 -5.055 1.00 0.00 C ATOM 0 H VAL A 12 13.774 -14.955 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 12 15.245 -12.446 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 12 13.482 -13.351 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.156 -12.722 -4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.783 -13.970 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.666 -12.279 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.680 -11.067 -5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.275 -10.530 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.423 -11.101 -5.475 1.00 0.00 H new ATOM 132 N HIS A 13 14.036 -11.055 -1.962 1.00 0.00 N ATOM 133 CA HIS A 13 13.693 -10.373 -0.726 1.00 0.00 C ATOM 134 C HIS A 13 12.628 -9.310 -1.005 1.00 0.00 C ATOM 135 O HIS A 13 12.377 -8.966 -2.159 1.00 0.00 O ATOM 136 CB HIS A 13 14.943 -9.799 -0.057 1.00 0.00 C ATOM 137 CG HIS A 13 15.573 -8.653 -0.812 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.699 -8.805 -1.602 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.222 -7.338 -0.890 1.00 0.00 C ATOM 140 CE1 HIS A 13 17.004 -7.627 -2.126 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.088 -6.719 -1.683 1.00 0.00 N ATOM 0 H HIS A 13 14.357 -10.442 -2.712 1.00 0.00 H new ATOM 0 HA HIS A 13 13.269 -11.086 -0.019 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.683 -9.460 0.946 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.680 -10.594 0.056 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.382 -6.878 -0.391 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.833 -7.422 -2.788 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.071 -5.727 -1.922 1.00 0.00 H new ATOM 149 N THR A 14 12.031 -8.820 0.072 1.00 0.00 N ATOM 150 CA THR A 14 11.000 -7.803 -0.042 1.00 0.00 C ATOM 151 C THR A 14 11.433 -6.521 0.672 1.00 0.00 C ATOM 152 O THR A 14 11.945 -6.572 1.789 1.00 0.00 O ATOM 153 CB THR A 14 9.695 -8.390 0.501 1.00 0.00 C ATOM 154 OG1 THR A 14 10.118 -9.286 1.526 1.00 0.00 O ATOM 155 CG2 THR A 14 8.991 -9.291 -0.515 1.00 0.00 C ATOM 0 H THR A 14 12.242 -9.109 1.027 1.00 0.00 H new ATOM 0 HA THR A 14 10.838 -7.519 -1.082 1.00 0.00 H new ATOM 0 HB THR A 14 9.026 -7.580 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.334 -9.710 1.934 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.071 -9.681 -0.079 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.753 -8.715 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.646 -10.120 -0.782 1.00 0.00 H new ATOM 163 N GLU A 15 11.213 -5.403 -0.003 1.00 0.00 N ATOM 164 CA GLU A 15 11.574 -4.110 0.553 1.00 0.00 C ATOM 165 C GLU A 15 10.329 -3.236 0.718 1.00 0.00 C ATOM 166 O GLU A 15 9.409 -3.301 -0.096 1.00 0.00 O ATOM 167 CB GLU A 15 12.622 -3.413 -0.317 1.00 0.00 C ATOM 168 CG GLU A 15 13.960 -4.153 -0.264 1.00 0.00 C ATOM 169 CD GLU A 15 15.128 -3.192 -0.495 1.00 0.00 C ATOM 170 OE1 GLU A 15 15.042 -2.059 0.024 1.00 0.00 O ATOM 171 OE2 GLU A 15 16.081 -3.613 -1.186 1.00 0.00 O ATOM 0 H GLU A 15 10.789 -5.365 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 15 12.014 -4.270 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.270 -3.364 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.757 -2.386 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.072 -4.641 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.976 -4.938 -1.020 1.00 0.00 H new ATOM 178 N THR A 16 10.341 -2.438 1.775 1.00 0.00 N ATOM 179 CA THR A 16 9.224 -1.553 2.057 1.00 0.00 C ATOM 180 C THR A 16 9.569 -0.116 1.659 1.00 0.00 C ATOM 181 O THR A 16 10.691 0.339 1.874 1.00 0.00 O ATOM 182 CB THR A 16 8.863 -1.703 3.537 1.00 0.00 C ATOM 183 OG1 THR A 16 10.054 -2.209 4.135 1.00 0.00 O ATOM 184 CG2 THR A 16 7.828 -2.804 3.778 1.00 0.00 C ATOM 0 H THR A 16 11.107 -2.386 2.447 1.00 0.00 H new ATOM 0 HA THR A 16 8.349 -1.820 1.465 1.00 0.00 H new ATOM 0 HB THR A 16 8.480 -0.755 3.915 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.910 -2.335 5.096 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.607 -2.869 4.843 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.914 -2.570 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.224 -3.758 3.431 1.00 0.00 H new ATOM 192 N THR A 17 8.583 0.557 1.085 1.00 0.00 N ATOM 193 CA THR A 17 8.768 1.933 0.654 1.00 0.00 C ATOM 194 C THR A 17 7.875 2.871 1.469 1.00 0.00 C ATOM 195 O THR A 17 6.770 2.498 1.860 1.00 0.00 O ATOM 196 CB THR A 17 8.503 1.996 -0.851 1.00 0.00 C ATOM 197 OG1 THR A 17 8.769 3.354 -1.194 1.00 0.00 O ATOM 198 CG2 THR A 17 7.023 1.809 -1.194 1.00 0.00 C ATOM 0 H THR A 17 7.654 0.176 0.908 1.00 0.00 H new ATOM 0 HA THR A 17 9.789 2.271 0.833 1.00 0.00 H new ATOM 0 HB THR A 17 9.092 1.230 -1.355 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.623 3.483 -2.154 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.890 1.862 -2.275 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.686 0.837 -0.835 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.437 2.595 -0.717 1.00 0.00 H new ATOM 206 N GLU A 18 8.387 4.071 1.700 1.00 0.00 N ATOM 207 CA GLU A 18 7.650 5.065 2.460 1.00 0.00 C ATOM 208 C GLU A 18 7.105 6.150 1.528 1.00 0.00 C ATOM 209 O GLU A 18 7.865 6.791 0.804 1.00 0.00 O ATOM 210 CB GLU A 18 8.525 5.675 3.558 1.00 0.00 C ATOM 211 CG GLU A 18 7.799 6.823 4.262 1.00 0.00 C ATOM 212 CD GLU A 18 8.645 8.098 4.245 1.00 0.00 C ATOM 213 OE1 GLU A 18 8.620 8.782 3.199 1.00 0.00 O ATOM 214 OE2 GLU A 18 9.297 8.361 5.279 1.00 0.00 O ATOM 0 H GLU A 18 9.304 4.377 1.374 1.00 0.00 H new ATOM 0 HA GLU A 18 6.807 4.572 2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.790 4.907 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.456 6.040 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.844 7.009 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.579 6.542 5.292 1.00 0.00 H new ATOM 221 N VAL A 19 5.792 6.321 1.577 1.00 0.00 N ATOM 222 CA VAL A 19 5.136 7.317 0.746 1.00 0.00 C ATOM 223 C VAL A 19 4.584 8.433 1.635 1.00 0.00 C ATOM 224 O VAL A 19 3.600 8.235 2.346 1.00 0.00 O ATOM 225 CB VAL A 19 4.062 6.652 -0.117 1.00 0.00 C ATOM 226 CG1 VAL A 19 3.626 7.575 -1.257 1.00 0.00 C ATOM 227 CG2 VAL A 19 4.547 5.305 -0.657 1.00 0.00 C ATOM 0 H VAL A 19 5.165 5.787 2.179 1.00 0.00 H new ATOM 0 HA VAL A 19 5.849 7.772 0.059 1.00 0.00 H new ATOM 0 HB VAL A 19 3.193 6.466 0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.862 7.078 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.220 8.498 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.485 7.807 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.764 4.854 -1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.439 5.457 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.784 4.643 0.176 1.00 0.00 H new ATOM 237 N VAL A 20 5.241 9.581 1.565 1.00 0.00 N ATOM 238 CA VAL A 20 4.828 10.729 2.355 1.00 0.00 C ATOM 239 C VAL A 20 3.825 11.560 1.552 1.00 0.00 C ATOM 240 O VAL A 20 4.203 12.258 0.613 1.00 0.00 O ATOM 241 CB VAL A 20 6.054 11.531 2.793 1.00 0.00 C ATOM 242 CG1 VAL A 20 6.553 12.433 1.662 1.00 0.00 C ATOM 243 CG2 VAL A 20 5.754 12.347 4.053 1.00 0.00 C ATOM 0 H VAL A 20 6.056 9.741 0.974 1.00 0.00 H new ATOM 0 HA VAL A 20 4.326 10.405 3.267 1.00 0.00 H new ATOM 0 HB VAL A 20 6.848 10.824 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.425 12.992 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.825 11.821 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.764 13.129 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.642 12.908 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.937 13.040 3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.469 11.675 4.862 1.00 0.00 H new ATOM 253 N LEU A 21 2.566 11.457 1.951 1.00 0.00 N ATOM 254 CA LEU A 21 1.506 12.191 1.281 1.00 0.00 C ATOM 255 C LEU A 21 1.062 13.359 2.164 1.00 0.00 C ATOM 256 O LEU A 21 0.864 13.192 3.367 1.00 0.00 O ATOM 257 CB LEU A 21 0.366 11.249 0.890 1.00 0.00 C ATOM 258 CG LEU A 21 0.759 10.036 0.044 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.327 8.960 0.091 1.00 0.00 C ATOM 260 CD2 LEU A 21 1.091 10.453 -1.391 1.00 0.00 C ATOM 0 H LEU A 21 2.256 10.876 2.730 1.00 0.00 H new ATOM 0 HA LEU A 21 1.871 12.618 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.112 10.892 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.381 11.823 0.342 1.00 0.00 H new ATOM 0 HG LEU A 21 1.663 9.600 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.023 8.109 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.473 8.635 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.261 9.368 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.367 9.572 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.220 10.927 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.923 11.157 -1.382 1.00 0.00 H new ATOM 272 N THR A 22 0.920 14.516 1.534 1.00 0.00 N ATOM 273 CA THR A 22 0.504 15.711 2.247 1.00 0.00 C ATOM 274 C THR A 22 -0.986 15.974 2.024 1.00 0.00 C ATOM 275 O THR A 22 -1.397 16.344 0.925 1.00 0.00 O ATOM 276 CB THR A 22 1.399 16.867 1.796 1.00 0.00 C ATOM 277 OG1 THR A 22 2.699 16.288 1.716 1.00 0.00 O ATOM 278 CG2 THR A 22 1.539 17.951 2.866 1.00 0.00 C ATOM 0 H THR A 22 1.086 14.651 0.537 1.00 0.00 H new ATOM 0 HA THR A 22 0.623 15.590 3.324 1.00 0.00 H new ATOM 0 HB THR A 22 0.993 17.307 0.885 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.343 16.968 1.428 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.184 18.747 2.495 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.556 18.360 3.101 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.977 17.519 3.766 1.00 0.00 H new ATOM 286 N ALA A 23 -1.756 15.772 3.083 1.00 0.00 N ATOM 287 CA ALA A 23 -3.192 15.982 3.017 1.00 0.00 C ATOM 288 C ALA A 23 -3.479 17.272 2.245 1.00 0.00 C ATOM 289 O ALA A 23 -3.410 18.364 2.806 1.00 0.00 O ATOM 290 CB ALA A 23 -3.770 16.010 4.433 1.00 0.00 C ATOM 0 H ALA A 23 -1.412 15.465 3.993 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.675 15.163 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.847 16.168 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.565 15.061 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.310 16.821 4.998 1.00 0.00 H new ATOM 296 N ASP A 24 -3.794 17.103 0.969 1.00 0.00 N ATOM 297 CA ASP A 24 -4.091 18.240 0.115 1.00 0.00 C ATOM 298 C ASP A 24 -5.124 19.134 0.804 1.00 0.00 C ATOM 299 O ASP A 24 -5.694 18.756 1.826 1.00 0.00 O ATOM 300 CB ASP A 24 -4.678 17.785 -1.223 1.00 0.00 C ATOM 301 CG ASP A 24 -3.892 18.229 -2.459 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.774 18.752 -2.262 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.428 18.037 -3.571 1.00 0.00 O ATOM 0 H ASP A 24 -3.850 16.196 0.506 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.161 18.780 -0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.742 16.697 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.697 18.164 -1.303 1.00 0.00 H new ATOM 308 N PRO A 25 -5.339 20.334 0.200 1.00 0.00 N ATOM 309 CA PRO A 25 -6.293 21.284 0.745 1.00 0.00 C ATOM 310 C PRO A 25 -7.731 20.844 0.460 1.00 0.00 C ATOM 311 O PRO A 25 -8.672 21.359 1.060 1.00 0.00 O ATOM 312 CB PRO A 25 -5.939 22.613 0.096 1.00 0.00 C ATOM 313 CG PRO A 25 -5.108 22.269 -1.130 1.00 0.00 C ATOM 314 CD PRO A 25 -4.683 20.815 -1.012 1.00 0.00 C ATOM 0 HA PRO A 25 -6.238 21.358 1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.838 23.163 -0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.378 23.246 0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.688 22.425 -2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.235 22.918 -1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.993 20.240 -1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.599 20.724 -0.938 1.00 0.00 H new ATOM 322 N VAL A 26 -7.854 19.896 -0.458 1.00 0.00 N ATOM 323 CA VAL A 26 -9.160 19.380 -0.830 1.00 0.00 C ATOM 324 C VAL A 26 -9.138 17.852 -0.764 1.00 0.00 C ATOM 325 O VAL A 26 -9.869 17.250 0.022 1.00 0.00 O ATOM 326 CB VAL A 26 -9.560 19.913 -2.207 1.00 0.00 C ATOM 327 CG1 VAL A 26 -10.680 19.069 -2.818 1.00 0.00 C ATOM 328 CG2 VAL A 26 -9.964 21.387 -2.129 1.00 0.00 C ATOM 0 H VAL A 26 -7.070 19.472 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.920 19.724 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.690 19.838 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.945 19.470 -3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.341 18.039 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.553 19.096 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.244 21.741 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.812 21.497 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.125 21.975 -1.757 1.00 0.00 H new ATOM 338 N THR A 27 -8.292 17.267 -1.599 1.00 0.00 N ATOM 339 CA THR A 27 -8.165 15.820 -1.645 1.00 0.00 C ATOM 340 C THR A 27 -6.989 15.360 -0.780 1.00 0.00 C ATOM 341 O THR A 27 -5.974 14.900 -1.301 1.00 0.00 O ATOM 342 CB THR A 27 -8.041 15.403 -3.111 1.00 0.00 C ATOM 343 OG1 THR A 27 -6.985 16.216 -3.615 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.257 15.815 -3.943 1.00 0.00 C ATOM 0 H THR A 27 -7.687 17.769 -2.249 1.00 0.00 H new ATOM 0 HA THR A 27 -9.045 15.332 -1.227 1.00 0.00 H new ATOM 0 HB THR A 27 -7.910 14.323 -3.170 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.761 15.933 -4.526 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.117 15.495 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.152 15.346 -3.536 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.369 16.899 -3.911 1.00 0.00 H new ATOM 352 N GLY A 28 -7.166 15.500 0.525 1.00 0.00 N ATOM 353 CA GLY A 28 -6.132 15.105 1.467 1.00 0.00 C ATOM 354 C GLY A 28 -5.181 14.083 0.840 1.00 0.00 C ATOM 355 O GLY A 28 -4.175 14.455 0.238 1.00 0.00 O ATOM 0 H GLY A 28 -8.010 15.881 0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.570 15.983 1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.591 14.680 2.360 1.00 0.00 H new ATOM 359 N PHE A 29 -5.533 12.817 1.002 1.00 0.00 N ATOM 360 CA PHE A 29 -4.724 11.739 0.460 1.00 0.00 C ATOM 361 C PHE A 29 -5.456 11.022 -0.676 1.00 0.00 C ATOM 362 O PHE A 29 -4.826 10.409 -1.536 1.00 0.00 O ATOM 363 CB PHE A 29 -4.478 10.747 1.599 1.00 0.00 C ATOM 364 CG PHE A 29 -4.075 11.405 2.920 1.00 0.00 C ATOM 365 CD1 PHE A 29 -2.881 12.049 3.023 1.00 0.00 C ATOM 366 CD2 PHE A 29 -4.909 11.345 3.992 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.507 12.659 4.249 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.535 11.955 5.219 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.341 12.599 5.321 1.00 0.00 C ATOM 0 H PHE A 29 -6.369 12.513 1.502 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.792 12.138 0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.383 10.160 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.695 10.051 1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.218 12.096 2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.857 10.833 3.911 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.560 13.171 4.330 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.198 11.908 6.070 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.056 13.063 6.254 1.00 0.00 H new ATOM 379 N GLY A 30 -6.777 11.122 -0.642 1.00 0.00 N ATOM 380 CA GLY A 30 -7.601 10.490 -1.658 1.00 0.00 C ATOM 381 C GLY A 30 -7.202 9.026 -1.857 1.00 0.00 C ATOM 382 O GLY A 30 -6.693 8.656 -2.914 1.00 0.00 O ATOM 0 H GLY A 30 -7.297 11.631 0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.650 10.548 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.500 11.029 -2.600 1.00 0.00 H new ATOM 386 N ILE A 31 -7.446 8.234 -0.824 1.00 0.00 N ATOM 387 CA ILE A 31 -7.118 6.819 -0.872 1.00 0.00 C ATOM 388 C ILE A 31 -8.300 6.008 -0.337 1.00 0.00 C ATOM 389 O ILE A 31 -8.999 6.448 0.574 1.00 0.00 O ATOM 390 CB ILE A 31 -5.804 6.549 -0.137 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.751 7.601 -0.491 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.307 5.127 -0.407 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.488 7.418 0.352 1.00 0.00 C ATOM 0 H ILE A 31 -7.867 8.545 0.052 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.952 6.501 -1.901 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.990 6.627 0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.500 7.528 -1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.159 8.598 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.371 4.961 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.053 4.410 -0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.142 4.996 -1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.756 8.178 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.738 7.516 1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.069 6.429 0.169 1.00 0.00 H new ATOM 405 N GLN A 32 -8.487 4.836 -0.926 1.00 0.00 N ATOM 406 CA GLN A 32 -9.572 3.959 -0.520 1.00 0.00 C ATOM 407 C GLN A 32 -9.038 2.556 -0.225 1.00 0.00 C ATOM 408 O GLN A 32 -8.246 2.014 -0.995 1.00 0.00 O ATOM 409 CB GLN A 32 -10.669 3.914 -1.586 1.00 0.00 C ATOM 410 CG GLN A 32 -11.715 5.004 -1.342 1.00 0.00 C ATOM 411 CD GLN A 32 -13.132 4.446 -1.487 1.00 0.00 C ATOM 412 OE1 GLN A 32 -13.389 3.522 -2.241 1.00 0.00 O ATOM 413 NE2 GLN A 32 -14.035 5.058 -0.726 1.00 0.00 N ATOM 0 H GLN A 32 -7.905 4.473 -1.681 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.014 4.359 0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.227 4.044 -2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.149 2.936 -1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.585 5.421 -0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.567 5.820 -2.050 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.752 5.826 -0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.010 4.760 -0.752 1.00 0.00 H new ATOM 422 N LEU A 33 -9.493 2.007 0.893 1.00 0.00 N ATOM 423 CA LEU A 33 -9.071 0.678 1.299 1.00 0.00 C ATOM 424 C LEU A 33 -10.174 -0.328 0.965 1.00 0.00 C ATOM 425 O LEU A 33 -11.308 0.060 0.688 1.00 0.00 O ATOM 426 CB LEU A 33 -8.661 0.674 2.774 1.00 0.00 C ATOM 427 CG LEU A 33 -7.538 1.638 3.160 1.00 0.00 C ATOM 428 CD1 LEU A 33 -6.210 1.213 2.531 1.00 0.00 C ATOM 429 CD2 LEU A 33 -7.906 3.080 2.805 1.00 0.00 C ATOM 0 H LEU A 33 -10.149 2.459 1.529 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.184 0.374 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.539 0.911 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.354 -0.337 3.043 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.409 1.596 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.429 1.915 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.947 0.214 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.307 1.207 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.090 3.744 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.079 3.158 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.811 3.367 3.340 1.00 0.00 H new ATOM 441 N GLN A 34 -9.803 -1.599 1.001 1.00 0.00 N ATOM 442 CA GLN A 34 -10.747 -2.663 0.705 1.00 0.00 C ATOM 443 C GLN A 34 -10.871 -3.611 1.900 1.00 0.00 C ATOM 444 O GLN A 34 -9.874 -3.939 2.542 1.00 0.00 O ATOM 445 CB GLN A 34 -10.339 -3.423 -0.558 1.00 0.00 C ATOM 446 CG GLN A 34 -9.052 -4.218 -0.327 1.00 0.00 C ATOM 447 CD GLN A 34 -9.345 -5.716 -0.213 1.00 0.00 C ATOM 448 OE1 GLN A 34 -9.577 -6.249 0.859 1.00 0.00 O ATOM 449 NE2 GLN A 34 -9.322 -6.361 -1.375 1.00 0.00 N ATOM 0 H GLN A 34 -8.861 -1.916 1.231 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.723 -2.214 0.520 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.140 -4.100 -0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.195 -2.721 -1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.359 -4.041 -1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.563 -3.869 0.583 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.121 -5.853 -2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.506 -7.364 -1.405 1.00 0.00 H new ATOM 458 N GLY A 35 -12.102 -4.024 2.162 1.00 0.00 N ATOM 459 CA GLY A 35 -12.369 -4.927 3.269 1.00 0.00 C ATOM 460 C GLY A 35 -12.962 -6.246 2.769 1.00 0.00 C ATOM 461 O GLY A 35 -12.649 -6.693 1.667 1.00 0.00 O ATOM 0 H GLY A 35 -12.926 -3.750 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.446 -5.123 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.059 -4.456 3.969 1.00 0.00 H new ATOM 465 N SER A 36 -13.808 -6.832 3.604 1.00 0.00 N ATOM 466 CA SER A 36 -14.448 -8.090 3.261 1.00 0.00 C ATOM 467 C SER A 36 -15.781 -8.218 4.000 1.00 0.00 C ATOM 468 O SER A 36 -16.057 -7.456 4.925 1.00 0.00 O ATOM 469 CB SER A 36 -13.541 -9.277 3.591 1.00 0.00 C ATOM 470 OG SER A 36 -13.352 -10.133 2.468 1.00 0.00 O ATOM 0 H SER A 36 -14.065 -6.458 4.518 1.00 0.00 H new ATOM 0 HA SER A 36 -14.634 -8.097 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.574 -8.910 3.934 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.975 -9.847 4.413 1.00 0.00 H new ATOM 0 HG SER A 36 -13.404 -11.068 2.757 1.00 0.00 H new ATOM 476 N VAL A 37 -16.572 -9.188 3.565 1.00 0.00 N ATOM 477 CA VAL A 37 -17.869 -9.426 4.175 1.00 0.00 C ATOM 478 C VAL A 37 -17.683 -10.228 5.464 1.00 0.00 C ATOM 479 O VAL A 37 -18.520 -10.169 6.363 1.00 0.00 O ATOM 480 CB VAL A 37 -18.800 -10.112 3.173 1.00 0.00 C ATOM 481 CG1 VAL A 37 -19.259 -9.133 2.091 1.00 0.00 C ATOM 482 CG2 VAL A 37 -18.129 -11.339 2.553 1.00 0.00 C ATOM 0 H VAL A 37 -16.340 -9.818 2.797 1.00 0.00 H new ATOM 0 HA VAL A 37 -18.343 -8.482 4.446 1.00 0.00 H new ATOM 0 HB VAL A 37 -19.683 -10.451 3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -19.919 -9.646 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -19.794 -8.304 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -18.391 -8.750 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -18.812 -11.808 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -17.221 -11.033 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -17.876 -12.051 3.338 1.00 0.00 H new ATOM 492 N PHE A 38 -16.579 -10.960 5.514 1.00 0.00 N ATOM 493 CA PHE A 38 -16.272 -11.773 6.678 1.00 0.00 C ATOM 494 C PHE A 38 -14.910 -11.397 7.266 1.00 0.00 C ATOM 495 O PHE A 38 -14.235 -10.504 6.756 1.00 0.00 O ATOM 496 CB PHE A 38 -16.228 -13.228 6.209 1.00 0.00 C ATOM 497 CG PHE A 38 -15.508 -13.429 4.874 1.00 0.00 C ATOM 498 CD1 PHE A 38 -14.211 -13.044 4.735 1.00 0.00 C ATOM 499 CD2 PHE A 38 -16.165 -13.993 3.825 1.00 0.00 C ATOM 500 CE1 PHE A 38 -13.543 -13.231 3.496 1.00 0.00 C ATOM 501 CE2 PHE A 38 -15.497 -14.180 2.586 1.00 0.00 C ATOM 502 CZ PHE A 38 -14.200 -13.795 2.448 1.00 0.00 C ATOM 0 H PHE A 38 -15.886 -11.007 4.767 1.00 0.00 H new ATOM 0 HA PHE A 38 -17.026 -11.617 7.450 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -15.733 -13.830 6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -17.248 -13.602 6.120 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -13.689 -12.596 5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.195 -14.299 3.934 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -12.513 -12.925 3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -16.019 -14.628 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.692 -13.937 1.506 1.00 0.00 H new ATOM 512 N ALA A 39 -14.547 -12.098 8.330 1.00 0.00 N ATOM 513 CA ALA A 39 -13.277 -11.849 8.992 1.00 0.00 C ATOM 514 C ALA A 39 -13.252 -12.590 10.331 1.00 0.00 C ATOM 515 O ALA A 39 -14.213 -13.270 10.687 1.00 0.00 O ATOM 516 CB ALA A 39 -13.074 -10.342 9.156 1.00 0.00 C ATOM 0 H ALA A 39 -15.109 -12.838 8.750 1.00 0.00 H new ATOM 0 HA ALA A 39 -12.450 -12.226 8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.122 -10.155 9.652 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.072 -9.866 8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.884 -9.929 9.757 1.00 0.00 H new ATOM 522 N THR A 40 -12.141 -12.434 11.036 1.00 0.00 N ATOM 523 CA THR A 40 -11.977 -13.079 12.327 1.00 0.00 C ATOM 524 C THR A 40 -11.613 -12.048 13.397 1.00 0.00 C ATOM 525 O THR A 40 -12.435 -11.716 14.250 1.00 0.00 O ATOM 526 CB THR A 40 -10.934 -14.188 12.172 1.00 0.00 C ATOM 527 OG1 THR A 40 -11.604 -15.191 11.413 1.00 0.00 O ATOM 528 CG2 THR A 40 -10.612 -14.878 13.499 1.00 0.00 C ATOM 0 H THR A 40 -11.345 -11.870 10.737 1.00 0.00 H new ATOM 0 HA THR A 40 -12.909 -13.533 12.663 1.00 0.00 H new ATOM 0 HB THR A 40 -10.020 -13.771 11.749 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.999 -15.947 11.264 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.867 -15.656 13.333 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.220 -14.145 14.204 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.519 -15.325 13.906 1.00 0.00 H new ATOM 536 N GLU A 41 -10.380 -11.569 13.317 1.00 0.00 N ATOM 537 CA GLU A 41 -9.897 -10.582 14.267 1.00 0.00 C ATOM 538 C GLU A 41 -9.639 -9.249 13.563 1.00 0.00 C ATOM 539 O GLU A 41 -9.747 -8.188 14.176 1.00 0.00 O ATOM 540 CB GLU A 41 -8.638 -11.079 14.981 1.00 0.00 C ATOM 541 CG GLU A 41 -7.377 -10.668 14.217 1.00 0.00 C ATOM 542 CD GLU A 41 -6.217 -11.617 14.523 1.00 0.00 C ATOM 543 OE1 GLU A 41 -6.458 -12.842 14.474 1.00 0.00 O ATOM 544 OE2 GLU A 41 -5.115 -11.096 14.800 1.00 0.00 O ATOM 0 H GLU A 41 -9.701 -11.847 12.608 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.666 -10.427 15.023 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.604 -10.672 15.992 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.673 -12.164 15.075 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.580 -10.669 13.146 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.099 -9.649 14.488 1.00 0.00 H new ATOM 551 N THR A 42 -9.303 -9.347 12.285 1.00 0.00 N ATOM 552 CA THR A 42 -9.028 -8.161 11.491 1.00 0.00 C ATOM 553 C THR A 42 -9.414 -8.397 10.029 1.00 0.00 C ATOM 554 O THR A 42 -10.500 -8.900 9.744 1.00 0.00 O ATOM 555 CB THR A 42 -7.555 -7.797 11.679 1.00 0.00 C ATOM 556 OG1 THR A 42 -7.346 -6.716 10.774 1.00 0.00 O ATOM 557 CG2 THR A 42 -6.612 -8.892 11.176 1.00 0.00 C ATOM 0 H THR A 42 -9.215 -10.229 11.780 1.00 0.00 H new ATOM 0 HA THR A 42 -9.631 -7.315 11.821 1.00 0.00 H new ATOM 0 HB THR A 42 -7.360 -7.607 12.735 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.517 -5.867 11.233 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.579 -8.583 11.333 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.802 -9.815 11.723 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.783 -9.059 10.113 1.00 0.00 H new ATOM 565 N LEU A 43 -8.504 -8.023 9.142 1.00 0.00 N ATOM 566 CA LEU A 43 -8.735 -8.188 7.717 1.00 0.00 C ATOM 567 C LEU A 43 -7.898 -9.360 7.202 1.00 0.00 C ATOM 568 O LEU A 43 -7.840 -9.603 5.997 1.00 0.00 O ATOM 569 CB LEU A 43 -8.476 -6.874 6.977 1.00 0.00 C ATOM 570 CG LEU A 43 -8.427 -6.963 5.450 1.00 0.00 C ATOM 571 CD1 LEU A 43 -9.687 -7.634 4.900 1.00 0.00 C ATOM 572 CD2 LEU A 43 -8.192 -5.586 4.828 1.00 0.00 C ATOM 0 H LEU A 43 -7.605 -7.606 9.383 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.780 -8.434 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.255 -6.164 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.529 -6.463 7.328 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.580 -7.590 5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.627 -7.685 3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.769 -8.642 5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.564 -7.054 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.161 -5.678 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.002 -4.915 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.244 -5.182 5.185 1.00 0.00 H new ATOM 584 N SER A 44 -7.272 -10.056 8.139 1.00 0.00 N ATOM 585 CA SER A 44 -6.441 -11.197 7.794 1.00 0.00 C ATOM 586 C SER A 44 -5.678 -10.916 6.498 1.00 0.00 C ATOM 587 O SER A 44 -5.448 -11.824 5.700 1.00 0.00 O ATOM 588 CB SER A 44 -7.281 -12.468 7.650 1.00 0.00 C ATOM 589 OG SER A 44 -6.588 -13.622 8.117 1.00 0.00 O ATOM 0 H SER A 44 -7.323 -9.852 9.137 1.00 0.00 H new ATOM 0 HA SER A 44 -5.727 -11.356 8.602 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.211 -12.353 8.207 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.552 -12.607 6.603 1.00 0.00 H new ATOM 0 HG SER A 44 -7.158 -14.412 8.009 1.00 0.00 H new ATOM 595 N SER A 45 -5.306 -9.656 6.329 1.00 0.00 N ATOM 596 CA SER A 45 -4.573 -9.244 5.144 1.00 0.00 C ATOM 597 C SER A 45 -4.470 -7.718 5.096 1.00 0.00 C ATOM 598 O SER A 45 -5.122 -7.024 5.874 1.00 0.00 O ATOM 599 CB SER A 45 -5.242 -9.771 3.872 1.00 0.00 C ATOM 600 OG SER A 45 -4.424 -10.719 3.192 1.00 0.00 O ATOM 0 H SER A 45 -5.499 -8.906 6.993 1.00 0.00 H new ATOM 0 HA SER A 45 -3.570 -9.668 5.198 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.195 -10.233 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.461 -8.937 3.205 1.00 0.00 H new ATOM 0 HG SER A 45 -4.377 -11.546 3.716 1.00 0.00 H new ATOM 606 N PRO A 46 -3.624 -7.229 4.151 1.00 0.00 N ATOM 607 CA PRO A 46 -3.427 -5.798 3.991 1.00 0.00 C ATOM 608 C PRO A 46 -4.629 -5.153 3.299 1.00 0.00 C ATOM 609 O PRO A 46 -5.283 -5.782 2.469 1.00 0.00 O ATOM 610 CB PRO A 46 -2.140 -5.665 3.194 1.00 0.00 C ATOM 611 CG PRO A 46 -1.913 -7.018 2.540 1.00 0.00 C ATOM 612 CD PRO A 46 -2.835 -8.022 3.212 1.00 0.00 C ATOM 0 HA PRO A 46 -3.345 -5.275 4.944 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.224 -4.878 2.444 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.305 -5.400 3.842 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.121 -6.965 1.471 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.872 -7.324 2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.472 -8.524 2.484 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.268 -8.797 3.727 1.00 0.00 H new ATOM 620 N PRO A 47 -4.890 -3.872 3.675 1.00 0.00 N ATOM 621 CA PRO A 47 -6.001 -3.135 3.100 1.00 0.00 C ATOM 622 C PRO A 47 -5.682 -2.687 1.672 1.00 0.00 C ATOM 623 O PRO A 47 -5.418 -1.510 1.431 1.00 0.00 O ATOM 624 CB PRO A 47 -6.235 -1.971 4.049 1.00 0.00 C ATOM 625 CG PRO A 47 -4.959 -1.834 4.863 1.00 0.00 C ATOM 626 CD PRO A 47 -4.136 -3.095 4.655 1.00 0.00 C ATOM 0 HA PRO A 47 -6.902 -3.741 3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.447 -1.055 3.498 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.092 -2.160 4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.397 -0.955 4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.192 -1.700 5.919 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.136 -2.860 4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.013 -3.646 5.587 1.00 0.00 H new ATOM 634 N LEU A 48 -5.716 -3.650 0.762 1.00 0.00 N ATOM 635 CA LEU A 48 -5.433 -3.369 -0.635 1.00 0.00 C ATOM 636 C LEU A 48 -6.045 -2.019 -1.014 1.00 0.00 C ATOM 637 O LEU A 48 -7.167 -1.709 -0.616 1.00 0.00 O ATOM 638 CB LEU A 48 -5.901 -4.527 -1.519 1.00 0.00 C ATOM 639 CG LEU A 48 -4.797 -5.361 -2.172 1.00 0.00 C ATOM 640 CD1 LEU A 48 -4.222 -6.379 -1.185 1.00 0.00 C ATOM 641 CD2 LEU A 48 -5.299 -6.027 -3.455 1.00 0.00 C ATOM 0 H LEU A 48 -5.935 -4.625 0.965 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.358 -3.288 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.522 -5.190 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.537 -4.123 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.984 -4.691 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.439 -6.959 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.802 -5.856 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.014 -7.049 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.495 -6.614 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.139 -6.681 -3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.622 -5.261 -4.160 1.00 0.00 H new ATOM 653 N ILE A 49 -5.282 -1.253 -1.779 1.00 0.00 N ATOM 654 CA ILE A 49 -5.735 0.057 -2.215 1.00 0.00 C ATOM 655 C ILE A 49 -6.940 -0.109 -3.144 1.00 0.00 C ATOM 656 O ILE A 49 -6.779 -0.311 -4.346 1.00 0.00 O ATOM 657 CB ILE A 49 -4.581 0.843 -2.841 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.562 1.260 -1.778 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.101 2.041 -3.638 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.394 2.022 -2.408 1.00 0.00 C ATOM 0 H ILE A 49 -4.353 -1.514 -2.108 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.067 0.648 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.064 0.189 -3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.048 1.886 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.188 0.376 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.260 2.582 -4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.757 1.691 -4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.657 2.705 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.684 2.307 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.896 1.385 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.769 2.918 -2.903 1.00 0.00 H new ATOM 672 N SER A 50 -8.121 -0.018 -2.550 1.00 0.00 N ATOM 673 CA SER A 50 -9.353 -0.155 -3.308 1.00 0.00 C ATOM 674 C SER A 50 -9.340 0.798 -4.504 1.00 0.00 C ATOM 675 O SER A 50 -9.451 0.364 -5.650 1.00 0.00 O ATOM 676 CB SER A 50 -10.575 0.115 -2.428 1.00 0.00 C ATOM 677 OG SER A 50 -11.695 0.557 -3.190 1.00 0.00 O ATOM 0 H SER A 50 -8.251 0.149 -1.552 1.00 0.00 H new ATOM 0 HA SER A 50 -9.419 -1.181 -3.669 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.840 -0.794 -1.887 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.325 0.869 -1.681 1.00 0.00 H new ATOM 0 HG SER A 50 -12.455 0.717 -2.592 1.00 0.00 H new ATOM 683 N TYR A 51 -9.204 2.080 -4.198 1.00 0.00 N ATOM 684 CA TYR A 51 -9.175 3.099 -5.233 1.00 0.00 C ATOM 685 C TYR A 51 -8.284 4.273 -4.823 1.00 0.00 C ATOM 686 O TYR A 51 -8.027 4.477 -3.638 1.00 0.00 O ATOM 687 CB TYR A 51 -10.615 3.594 -5.379 1.00 0.00 C ATOM 688 CG TYR A 51 -10.797 4.675 -6.445 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.816 4.330 -7.781 1.00 0.00 C ATOM 690 CD2 TYR A 51 -10.943 5.996 -6.071 1.00 0.00 C ATOM 691 CE1 TYR A 51 -10.987 5.349 -8.785 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.114 7.014 -7.075 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.128 6.640 -8.383 1.00 0.00 C ATOM 694 OH TYR A 51 -11.289 7.601 -9.331 1.00 0.00 O ATOM 0 H TYR A 51 -9.113 2.436 -3.247 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.777 2.690 -6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.256 2.747 -5.622 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.953 3.984 -4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.703 3.297 -8.074 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.929 6.266 -5.025 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.003 5.093 -9.834 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.229 8.051 -6.796 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.378 8.476 -8.898 1.00 0.00 H new ATOM 704 N ILE A 52 -7.837 5.014 -5.826 1.00 0.00 N ATOM 705 CA ILE A 52 -6.980 6.163 -5.585 1.00 0.00 C ATOM 706 C ILE A 52 -7.628 7.412 -6.186 1.00 0.00 C ATOM 707 O ILE A 52 -7.699 7.553 -7.406 1.00 0.00 O ATOM 708 CB ILE A 52 -5.566 5.894 -6.102 1.00 0.00 C ATOM 709 CG1 ILE A 52 -4.956 4.668 -5.418 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.682 7.133 -5.950 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.913 4.001 -6.318 1.00 0.00 C ATOM 0 H ILE A 52 -8.052 4.841 -6.808 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.874 6.342 -4.515 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.629 5.671 -7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.493 4.965 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.743 3.953 -5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.682 6.915 -6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.111 7.958 -6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.622 7.410 -4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.495 3.133 -5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.384 3.684 -7.248 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.116 4.711 -6.539 1.00 0.00 H new ATOM 723 N GLU A 53 -8.083 8.287 -5.302 1.00 0.00 N ATOM 724 CA GLU A 53 -8.722 9.520 -5.730 1.00 0.00 C ATOM 725 C GLU A 53 -7.842 10.249 -6.747 1.00 0.00 C ATOM 726 O GLU A 53 -6.617 10.141 -6.702 1.00 0.00 O ATOM 727 CB GLU A 53 -9.037 10.419 -4.533 1.00 0.00 C ATOM 728 CG GLU A 53 -10.468 10.956 -4.611 1.00 0.00 C ATOM 729 CD GLU A 53 -10.505 12.459 -4.329 1.00 0.00 C ATOM 730 OE1 GLU A 53 -9.884 12.863 -3.322 1.00 0.00 O ATOM 731 OE2 GLU A 53 -11.154 13.170 -5.126 1.00 0.00 O ATOM 0 H GLU A 53 -8.022 8.167 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.667 9.268 -6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.905 9.858 -3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.334 11.251 -4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.881 10.758 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.097 10.432 -3.891 1.00 0.00 H new ATOM 738 N ALA A 54 -8.500 10.975 -7.639 1.00 0.00 N ATOM 739 CA ALA A 54 -7.792 11.721 -8.665 1.00 0.00 C ATOM 740 C ALA A 54 -7.375 13.082 -8.103 1.00 0.00 C ATOM 741 O ALA A 54 -7.805 13.467 -7.017 1.00 0.00 O ATOM 742 CB ALA A 54 -8.677 11.849 -9.906 1.00 0.00 C ATOM 0 H ALA A 54 -9.516 11.062 -7.672 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.885 11.196 -8.965 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.146 12.409 -10.676 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.921 10.856 -10.283 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.596 12.374 -9.645 1.00 0.00 H new ATOM 748 N ASP A 55 -6.544 13.773 -8.869 1.00 0.00 N ATOM 749 CA ASP A 55 -6.064 15.083 -8.461 1.00 0.00 C ATOM 750 C ASP A 55 -5.646 15.033 -6.990 1.00 0.00 C ATOM 751 O ASP A 55 -5.702 16.043 -6.291 1.00 0.00 O ATOM 752 CB ASP A 55 -7.161 16.140 -8.605 1.00 0.00 C ATOM 753 CG ASP A 55 -6.661 17.553 -8.912 1.00 0.00 C ATOM 754 OD1 ASP A 55 -5.445 17.681 -9.174 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.506 18.474 -8.879 1.00 0.00 O ATOM 0 H ASP A 55 -6.191 13.451 -9.770 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.221 15.348 -9.100 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.841 15.831 -9.399 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.741 16.168 -7.682 1.00 0.00 H new ATOM 760 N SER A 56 -5.235 13.848 -6.565 1.00 0.00 N ATOM 761 CA SER A 56 -4.807 13.653 -5.190 1.00 0.00 C ATOM 762 C SER A 56 -3.297 13.417 -5.141 1.00 0.00 C ATOM 763 O SER A 56 -2.674 13.138 -6.164 1.00 0.00 O ATOM 764 CB SER A 56 -5.549 12.482 -4.543 1.00 0.00 C ATOM 765 OG SER A 56 -4.660 11.443 -4.141 1.00 0.00 O ATOM 0 H SER A 56 -5.189 13.013 -7.148 1.00 0.00 H new ATOM 0 HA SER A 56 -5.046 14.555 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.104 12.839 -3.676 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.279 12.082 -5.247 1.00 0.00 H new ATOM 0 HG SER A 56 -4.844 11.196 -3.211 1.00 0.00 H new ATOM 771 N PRO A 57 -2.735 13.540 -3.908 1.00 0.00 N ATOM 772 CA PRO A 57 -1.309 13.343 -3.712 1.00 0.00 C ATOM 773 C PRO A 57 -0.949 11.857 -3.765 1.00 0.00 C ATOM 774 O PRO A 57 0.212 11.503 -3.969 1.00 0.00 O ATOM 775 CB PRO A 57 -1.006 13.980 -2.366 1.00 0.00 C ATOM 776 CG PRO A 57 -2.341 14.097 -1.649 1.00 0.00 C ATOM 777 CD PRO A 57 -3.441 13.870 -2.673 1.00 0.00 C ATOM 0 HA PRO A 57 -0.709 13.800 -4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.308 13.369 -1.794 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.544 14.959 -2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.409 13.363 -0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.443 15.081 -1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.105 13.061 -2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.058 14.760 -2.795 1.00 0.00 H new ATOM 785 N ALA A 58 -1.965 11.028 -3.578 1.00 0.00 N ATOM 786 CA ALA A 58 -1.769 9.588 -3.602 1.00 0.00 C ATOM 787 C ALA A 58 -1.514 9.136 -5.042 1.00 0.00 C ATOM 788 O ALA A 58 -0.631 8.317 -5.292 1.00 0.00 O ATOM 789 CB ALA A 58 -2.985 8.897 -2.981 1.00 0.00 C ATOM 0 H ALA A 58 -2.926 11.325 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.897 9.309 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.838 7.817 -2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.106 9.230 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.879 9.151 -3.551 1.00 0.00 H new ATOM 795 N GLU A 59 -2.303 9.690 -5.950 1.00 0.00 N ATOM 796 CA GLU A 59 -2.174 9.354 -7.358 1.00 0.00 C ATOM 797 C GLU A 59 -0.944 10.039 -7.957 1.00 0.00 C ATOM 798 O GLU A 59 -0.355 9.540 -8.914 1.00 0.00 O ATOM 799 CB GLU A 59 -3.441 9.730 -8.130 1.00 0.00 C ATOM 800 CG GLU A 59 -3.443 9.095 -9.522 1.00 0.00 C ATOM 801 CD GLU A 59 -3.748 7.598 -9.442 1.00 0.00 C ATOM 802 OE1 GLU A 59 -2.811 6.846 -9.098 1.00 0.00 O ATOM 803 OE2 GLU A 59 -4.911 7.240 -9.726 1.00 0.00 O ATOM 0 H GLU A 59 -3.034 10.369 -5.739 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.043 8.275 -7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.320 9.402 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.508 10.814 -8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.186 9.588 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.474 9.247 -9.996 1.00 0.00 H new ATOM 810 N ARG A 60 -0.593 11.173 -7.368 1.00 0.00 N ATOM 811 CA ARG A 60 0.557 11.932 -7.831 1.00 0.00 C ATOM 812 C ARG A 60 1.829 11.091 -7.716 1.00 0.00 C ATOM 813 O ARG A 60 2.629 11.038 -8.650 1.00 0.00 O ATOM 814 CB ARG A 60 0.729 13.219 -7.021 1.00 0.00 C ATOM 815 CG ARG A 60 -0.120 14.351 -7.603 1.00 0.00 C ATOM 816 CD ARG A 60 0.246 15.693 -6.966 1.00 0.00 C ATOM 817 NE ARG A 60 -0.826 16.682 -7.218 1.00 0.00 N ATOM 818 CZ ARG A 60 -0.932 17.854 -6.578 1.00 0.00 C ATOM 819 NH1 ARG A 60 -0.032 18.192 -5.645 1.00 0.00 N ATOM 820 NH2 ARG A 60 -1.938 18.689 -6.871 1.00 0.00 N ATOM 0 H ARG A 60 -1.084 11.585 -6.575 1.00 0.00 H new ATOM 0 HA ARG A 60 0.384 12.193 -8.875 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.443 13.041 -5.984 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.779 13.512 -7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.028 14.404 -8.682 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.176 14.141 -7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.392 15.568 -5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.189 16.054 -7.376 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.528 16.457 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.734 17.557 -5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.113 19.085 -5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.623 18.432 -7.581 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.019 19.581 -6.384 1.00 0.00 H new ATOM 834 N CYS A 61 1.978 10.454 -6.564 1.00 0.00 N ATOM 835 CA CYS A 61 3.140 9.618 -6.315 1.00 0.00 C ATOM 836 C CYS A 61 3.203 8.547 -7.407 1.00 0.00 C ATOM 837 O CYS A 61 4.275 8.259 -7.937 1.00 0.00 O ATOM 838 CB CYS A 61 3.105 9.003 -4.915 1.00 0.00 C ATOM 839 SG CYS A 61 4.734 9.201 -4.104 1.00 0.00 S ATOM 0 H CYS A 61 1.313 10.500 -5.792 1.00 0.00 H new ATOM 0 HA CYS A 61 4.044 10.227 -6.350 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.331 9.484 -4.317 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.848 7.946 -4.979 1.00 0.00 H new ATOM 0 HG CYS A 61 4.569 9.706 -2.917 1.00 0.00 H new ATOM 845 N GLY A 62 2.042 7.987 -7.710 1.00 0.00 N ATOM 846 CA GLY A 62 1.952 6.954 -8.728 1.00 0.00 C ATOM 847 C GLY A 62 2.326 5.585 -8.156 1.00 0.00 C ATOM 848 O GLY A 62 1.607 4.607 -8.356 1.00 0.00 O ATOM 0 H GLY A 62 1.155 8.229 -7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.939 6.920 -9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.615 7.198 -9.558 1.00 0.00 H new ATOM 852 N VAL A 63 3.450 5.560 -7.455 1.00 0.00 N ATOM 853 CA VAL A 63 3.929 4.327 -6.852 1.00 0.00 C ATOM 854 C VAL A 63 2.747 3.570 -6.243 1.00 0.00 C ATOM 855 O VAL A 63 2.754 2.341 -6.188 1.00 0.00 O ATOM 856 CB VAL A 63 5.029 4.635 -5.835 1.00 0.00 C ATOM 857 CG1 VAL A 63 6.201 5.361 -6.499 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.478 5.443 -4.659 1.00 0.00 C ATOM 0 H VAL A 63 4.043 6.374 -7.291 1.00 0.00 H new ATOM 0 HA VAL A 63 4.375 3.680 -7.608 1.00 0.00 H new ATOM 0 HB VAL A 63 5.400 3.687 -5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.969 5.568 -5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.619 4.734 -7.286 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.851 6.299 -6.930 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.281 5.648 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.067 6.384 -5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.693 4.873 -4.162 1.00 0.00 H new ATOM 868 N LEU A 64 1.759 4.335 -5.802 1.00 0.00 N ATOM 869 CA LEU A 64 0.573 3.752 -5.200 1.00 0.00 C ATOM 870 C LEU A 64 -0.299 3.133 -6.295 1.00 0.00 C ATOM 871 O LEU A 64 -0.929 3.850 -7.070 1.00 0.00 O ATOM 872 CB LEU A 64 -0.159 4.788 -4.344 1.00 0.00 C ATOM 873 CG LEU A 64 0.696 5.534 -3.317 1.00 0.00 C ATOM 874 CD1 LEU A 64 0.021 6.837 -2.885 1.00 0.00 C ATOM 875 CD2 LEU A 64 1.025 4.636 -2.123 1.00 0.00 C ATOM 0 H LEU A 64 1.756 5.354 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 64 0.849 2.947 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.616 5.521 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.970 4.286 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 64 1.641 5.802 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.649 7.348 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.120 7.479 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.947 6.614 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.633 5.190 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.100 4.317 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.576 3.761 -2.467 1.00 0.00 H new ATOM 887 N GLN A 65 -0.306 1.808 -6.322 1.00 0.00 N ATOM 888 CA GLN A 65 -1.090 1.085 -7.309 1.00 0.00 C ATOM 889 C GLN A 65 -2.374 0.546 -6.676 1.00 0.00 C ATOM 890 O GLN A 65 -2.428 0.320 -5.468 1.00 0.00 O ATOM 891 CB GLN A 65 -0.272 -0.045 -7.937 1.00 0.00 C ATOM 892 CG GLN A 65 0.670 0.494 -9.016 1.00 0.00 C ATOM 893 CD GLN A 65 0.796 -0.495 -10.177 1.00 0.00 C ATOM 894 OE1 GLN A 65 1.030 -1.678 -9.996 1.00 0.00 O ATOM 895 NE2 GLN A 65 0.629 0.056 -11.376 1.00 0.00 N ATOM 0 H GLN A 65 0.218 1.217 -5.677 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.364 1.777 -8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.306 -0.553 -7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.943 -0.786 -8.372 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.297 1.449 -9.386 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.653 0.682 -8.585 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.435 1.054 -11.456 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.695 -0.520 -12.215 1.00 0.00 H new ATOM 904 N ILE A 66 -3.377 0.355 -7.520 1.00 0.00 N ATOM 905 CA ILE A 66 -4.658 -0.153 -7.058 1.00 0.00 C ATOM 906 C ILE A 66 -4.501 -1.618 -6.646 1.00 0.00 C ATOM 907 O ILE A 66 -4.146 -2.463 -7.467 1.00 0.00 O ATOM 908 CB ILE A 66 -5.739 0.076 -8.117 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.913 1.568 -8.408 1.00 0.00 C ATOM 910 CG2 ILE A 66 -7.056 -0.586 -7.708 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.832 2.224 -7.376 1.00 0.00 C ATOM 0 H ILE A 66 -3.329 0.543 -8.521 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.989 0.394 -6.175 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.416 -0.397 -9.044 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.940 2.060 -8.399 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.328 1.701 -9.407 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.807 -0.408 -8.478 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.903 -1.659 -7.591 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.398 -0.163 -6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.939 3.284 -7.606 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.811 1.746 -7.405 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.402 2.110 -6.381 1.00 0.00 H new ATOM 923 N GLY A 67 -4.775 -1.875 -5.376 1.00 0.00 N ATOM 924 CA GLY A 67 -4.669 -3.223 -4.845 1.00 0.00 C ATOM 925 C GLY A 67 -3.238 -3.525 -4.396 1.00 0.00 C ATOM 926 O GLY A 67 -2.747 -4.637 -4.582 1.00 0.00 O ATOM 0 H GLY A 67 -5.071 -1.172 -4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.351 -3.340 -4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.975 -3.942 -5.605 1.00 0.00 H new ATOM 930 N ASP A 68 -2.609 -2.515 -3.813 1.00 0.00 N ATOM 931 CA ASP A 68 -1.244 -2.658 -3.336 1.00 0.00 C ATOM 932 C ASP A 68 -1.257 -3.326 -1.960 1.00 0.00 C ATOM 933 O ASP A 68 -2.317 -3.686 -1.450 1.00 0.00 O ATOM 934 CB ASP A 68 -0.565 -1.294 -3.193 1.00 0.00 C ATOM 935 CG ASP A 68 0.516 -0.998 -4.235 1.00 0.00 C ATOM 936 OD1 ASP A 68 0.490 -1.673 -5.287 1.00 0.00 O ATOM 937 OD2 ASP A 68 1.344 -0.105 -3.956 1.00 0.00 O ATOM 0 H ASP A 68 -3.020 -1.594 -3.660 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.695 -3.260 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.328 -0.517 -3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.119 -1.229 -2.200 1.00 0.00 H new ATOM 942 N ARG A 69 -0.066 -3.471 -1.397 1.00 0.00 N ATOM 943 CA ARG A 69 0.073 -4.089 -0.089 1.00 0.00 C ATOM 944 C ARG A 69 0.725 -3.114 0.893 1.00 0.00 C ATOM 945 O ARG A 69 1.946 -2.971 0.912 1.00 0.00 O ATOM 946 CB ARG A 69 0.918 -5.362 -0.169 1.00 0.00 C ATOM 947 CG ARG A 69 1.951 -5.265 -1.293 1.00 0.00 C ATOM 948 CD ARG A 69 1.323 -5.603 -2.647 1.00 0.00 C ATOM 949 NE ARG A 69 2.351 -6.150 -3.560 1.00 0.00 N ATOM 950 CZ ARG A 69 3.180 -5.396 -4.295 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.106 -4.060 -4.229 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.082 -5.979 -5.096 1.00 0.00 N ATOM 0 H ARG A 69 0.811 -3.171 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.925 -4.350 0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.425 -5.527 0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.271 -6.222 -0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.368 -4.258 -1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.778 -5.946 -1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.520 -6.328 -2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.876 -4.709 -3.083 1.00 0.00 H new ATOM 0 HE ARG A 69 2.434 -7.164 -3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.419 -3.617 -3.619 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.737 -3.486 -4.788 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.137 -6.996 -5.146 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.713 -5.406 -5.656 1.00 0.00 H new ATOM 966 N VAL A 70 -0.119 -2.468 1.684 1.00 0.00 N ATOM 967 CA VAL A 70 0.359 -1.510 2.666 1.00 0.00 C ATOM 968 C VAL A 70 0.476 -2.197 4.028 1.00 0.00 C ATOM 969 O VAL A 70 -0.500 -2.748 4.535 1.00 0.00 O ATOM 970 CB VAL A 70 -0.557 -0.285 2.691 1.00 0.00 C ATOM 971 CG1 VAL A 70 -1.986 -0.676 3.074 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.011 0.789 3.636 1.00 0.00 C ATOM 0 H VAL A 70 -1.132 -2.589 1.665 1.00 0.00 H new ATOM 0 HA VAL A 70 1.352 -1.151 2.397 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.582 0.134 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.616 0.213 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.376 -1.388 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.986 -1.132 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.681 1.649 3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.058 0.384 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.979 1.100 3.301 1.00 0.00 H new ATOM 982 N MET A 71 1.679 -2.142 4.581 1.00 0.00 N ATOM 983 CA MET A 71 1.936 -2.753 5.874 1.00 0.00 C ATOM 984 C MET A 71 1.607 -1.785 7.013 1.00 0.00 C ATOM 985 O MET A 71 1.351 -2.209 8.139 1.00 0.00 O ATOM 986 CB MET A 71 3.407 -3.163 5.962 1.00 0.00 C ATOM 987 CG MET A 71 3.930 -3.625 4.600 1.00 0.00 C ATOM 988 SD MET A 71 5.418 -4.587 4.811 1.00 0.00 S ATOM 989 CE MET A 71 4.806 -5.871 5.890 1.00 0.00 C ATOM 0 H MET A 71 2.486 -1.684 4.157 1.00 0.00 H new ATOM 0 HA MET A 71 1.298 -3.631 5.973 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.002 -2.322 6.318 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.522 -3.965 6.691 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.171 -4.221 4.093 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.133 -2.761 3.967 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.301 -6.813 5.652 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.013 -5.604 6.926 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.730 -5.981 5.751 1.00 0.00 H new ATOM 999 N ALA A 72 1.624 -0.503 6.680 1.00 0.00 N ATOM 1000 CA ALA A 72 1.330 0.529 7.660 1.00 0.00 C ATOM 1001 C ALA A 72 0.741 1.749 6.950 1.00 0.00 C ATOM 1002 O ALA A 72 0.967 1.946 5.757 1.00 0.00 O ATOM 1003 CB ALA A 72 2.601 0.866 8.442 1.00 0.00 C ATOM 0 H ALA A 72 1.837 -0.155 5.745 1.00 0.00 H new ATOM 0 HA ALA A 72 0.589 0.177 8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.381 1.640 9.177 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.962 -0.027 8.952 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.367 1.226 7.754 1.00 0.00 H new ATOM 1009 N ILE A 73 -0.003 2.536 7.712 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.626 3.732 7.171 1.00 0.00 C ATOM 1011 C ILE A 73 -0.105 4.958 7.922 1.00 0.00 C ATOM 1012 O ILE A 73 -0.524 6.082 7.649 1.00 0.00 O ATOM 1013 CB ILE A 73 -2.150 3.598 7.192 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -2.647 2.799 5.986 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.819 4.971 7.285 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -4.070 2.286 6.217 1.00 0.00 C ATOM 0 H ILE A 73 -0.189 2.369 8.701 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.355 3.862 6.123 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.432 3.041 8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.623 3.426 5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.979 1.958 5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.902 4.848 7.298 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.499 5.470 8.200 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.533 5.574 6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.399 1.721 5.345 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.086 1.640 7.095 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.740 3.131 6.376 1.00 0.00 H new ATOM 1028 N ASN A 74 0.800 4.701 8.855 1.00 0.00 N ATOM 1029 CA ASN A 74 1.382 5.770 9.648 1.00 0.00 C ATOM 1030 C ASN A 74 2.183 5.165 10.803 1.00 0.00 C ATOM 1031 O ASN A 74 2.096 5.634 11.937 1.00 0.00 O ATOM 1032 CB ASN A 74 0.296 6.667 10.245 1.00 0.00 C ATOM 1033 CG ASN A 74 -0.828 5.831 10.862 1.00 0.00 C ATOM 1034 OD1 ASN A 74 -0.694 4.642 11.098 1.00 0.00 O ATOM 1035 ND2 ASN A 74 -1.940 6.518 11.108 1.00 0.00 N ATOM 0 H ASN A 74 1.144 3.768 9.079 1.00 0.00 H new ATOM 0 HA ASN A 74 2.022 6.364 8.995 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.732 7.315 11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.112 7.316 9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.748 6.050 11.519 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.985 7.512 10.886 1.00 0.00 H new ATOM 1042 N GLY A 75 2.945 4.132 10.475 1.00 0.00 N ATOM 1043 CA GLY A 75 3.761 3.457 11.470 1.00 0.00 C ATOM 1044 C GLY A 75 2.983 2.321 12.137 1.00 0.00 C ATOM 1045 O GLY A 75 3.561 1.296 12.496 1.00 0.00 O ATOM 0 H GLY A 75 3.015 3.746 9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.660 3.060 10.999 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.086 4.173 12.225 1.00 0.00 H new ATOM 1049 N ILE A 76 1.685 2.540 12.283 1.00 0.00 N ATOM 1050 CA ILE A 76 0.823 1.547 12.900 1.00 0.00 C ATOM 1051 C ILE A 76 0.756 0.308 12.005 1.00 0.00 C ATOM 1052 O ILE A 76 0.690 0.425 10.782 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.547 2.150 13.219 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -0.412 3.359 14.147 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -1.493 1.092 13.790 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -0.055 2.921 15.569 1.00 0.00 C ATOM 0 H ILE A 76 1.209 3.391 11.984 1.00 0.00 H new ATOM 0 HA ILE A 76 1.236 1.227 13.857 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.988 2.507 12.288 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.357 4.031 13.766 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.347 3.919 14.159 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.459 1.547 14.008 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.625 0.291 13.062 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.070 0.683 14.707 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.035 3.799 16.208 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.838 2.269 15.956 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.893 2.382 15.557 1.00 0.00 H new ATOM 1068 N PRO A 77 0.777 -0.880 12.665 1.00 0.00 N ATOM 1069 CA PRO A 77 0.720 -2.139 11.943 1.00 0.00 C ATOM 1070 C PRO A 77 -0.695 -2.412 11.426 1.00 0.00 C ATOM 1071 O PRO A 77 -1.551 -2.886 12.172 1.00 0.00 O ATOM 1072 CB PRO A 77 1.201 -3.185 12.935 1.00 0.00 C ATOM 1073 CG PRO A 77 1.068 -2.549 14.309 1.00 0.00 C ATOM 1074 CD PRO A 77 0.855 -1.056 14.113 1.00 0.00 C ATOM 0 HA PRO A 77 1.345 -2.139 11.050 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.603 -4.093 12.866 1.00 0.00 H new ATOM 0 HB3 PRO A 77 2.234 -3.468 12.734 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.230 -2.986 14.852 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.964 -2.732 14.903 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.058 -0.719 14.603 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.676 -0.479 14.538 1.00 0.00 H new ATOM 1082 N THR A 78 -0.896 -2.100 10.154 1.00 0.00 N ATOM 1083 CA THR A 78 -2.192 -2.305 9.530 1.00 0.00 C ATOM 1084 C THR A 78 -2.591 -3.780 9.602 1.00 0.00 C ATOM 1085 O THR A 78 -2.360 -4.536 8.659 1.00 0.00 O ATOM 1086 CB THR A 78 -2.119 -1.764 8.101 1.00 0.00 C ATOM 1087 OG1 THR A 78 -0.964 -2.392 7.550 1.00 0.00 O ATOM 1088 CG2 THR A 78 -1.788 -0.271 8.056 1.00 0.00 C ATOM 0 H THR A 78 -0.183 -1.707 9.539 1.00 0.00 H new ATOM 0 HA THR A 78 -2.976 -1.763 10.059 1.00 0.00 H new ATOM 0 HB THR A 78 -3.070 -1.940 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.291 -2.514 8.252 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.748 0.062 7.019 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.558 0.289 8.587 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.822 -0.098 8.530 1.00 0.00 H new ATOM 1096 N GLU A 79 -3.184 -4.146 10.729 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.618 -5.517 10.936 1.00 0.00 C ATOM 1098 C GLU A 79 -4.249 -5.670 12.321 1.00 0.00 C ATOM 1099 O GLU A 79 -5.246 -6.374 12.479 1.00 0.00 O ATOM 1100 CB GLU A 79 -2.454 -6.493 10.752 1.00 0.00 C ATOM 1101 CG GLU A 79 -2.831 -7.620 9.787 1.00 0.00 C ATOM 1102 CD GLU A 79 -2.251 -8.957 10.252 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -2.663 -9.406 11.344 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -1.408 -9.500 9.506 1.00 0.00 O ATOM 0 H GLU A 79 -3.374 -3.516 11.509 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.372 -5.757 10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.584 -5.959 10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.172 -6.915 11.717 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.916 -7.695 9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.462 -7.387 8.788 1.00 0.00 H new ATOM 1111 N ASP A 80 -3.642 -5.001 13.290 1.00 0.00 N ATOM 1112 CA ASP A 80 -4.132 -5.055 14.657 1.00 0.00 C ATOM 1113 C ASP A 80 -5.489 -4.353 14.736 1.00 0.00 C ATOM 1114 O ASP A 80 -6.294 -4.647 15.618 1.00 0.00 O ATOM 1115 CB ASP A 80 -3.175 -4.341 15.614 1.00 0.00 C ATOM 1116 CG ASP A 80 -2.901 -5.080 16.925 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -2.902 -6.329 16.884 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -2.697 -4.379 17.940 1.00 0.00 O ATOM 0 H ASP A 80 -2.815 -4.419 13.156 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.214 -6.103 14.944 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.227 -4.178 15.101 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.584 -3.358 15.847 1.00 0.00 H new ATOM 1123 N SER A 81 -5.701 -3.437 13.802 1.00 0.00 N ATOM 1124 CA SER A 81 -6.947 -2.691 13.754 1.00 0.00 C ATOM 1125 C SER A 81 -7.898 -3.326 12.738 1.00 0.00 C ATOM 1126 O SER A 81 -7.695 -4.464 12.318 1.00 0.00 O ATOM 1127 CB SER A 81 -6.696 -1.223 13.402 1.00 0.00 C ATOM 1128 OG SER A 81 -5.636 -0.663 14.172 1.00 0.00 O ATOM 0 H SER A 81 -5.031 -3.195 13.072 1.00 0.00 H new ATOM 0 HA SER A 81 -7.406 -2.726 14.742 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.457 -1.140 12.342 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.608 -0.649 13.569 1.00 0.00 H new ATOM 0 HG SER A 81 -5.871 0.251 14.437 1.00 0.00 H new ATOM 1134 N THR A 82 -8.917 -2.562 12.371 1.00 0.00 N ATOM 1135 CA THR A 82 -9.900 -3.035 11.413 1.00 0.00 C ATOM 1136 C THR A 82 -9.839 -2.203 10.130 1.00 0.00 C ATOM 1137 O THR A 82 -9.238 -1.130 10.111 1.00 0.00 O ATOM 1138 CB THR A 82 -11.272 -3.008 12.089 1.00 0.00 C ATOM 1139 OG1 THR A 82 -11.654 -1.635 12.046 1.00 0.00 O ATOM 1140 CG2 THR A 82 -11.194 -3.325 13.584 1.00 0.00 C ATOM 0 H THR A 82 -9.082 -1.618 12.721 1.00 0.00 H new ATOM 0 HA THR A 82 -9.692 -4.061 11.108 1.00 0.00 H new ATOM 0 HB THR A 82 -11.932 -3.724 11.599 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.534 -1.527 12.463 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.194 -3.293 14.015 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.771 -4.320 13.723 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.561 -2.589 14.080 1.00 0.00 H new ATOM 1148 N PHE A 83 -10.469 -2.729 9.090 1.00 0.00 N ATOM 1149 CA PHE A 83 -10.493 -2.048 7.807 1.00 0.00 C ATOM 1150 C PHE A 83 -10.986 -0.608 7.960 1.00 0.00 C ATOM 1151 O PHE A 83 -10.637 0.260 7.161 1.00 0.00 O ATOM 1152 CB PHE A 83 -11.468 -2.816 6.912 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.135 -1.955 5.837 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -13.256 -1.244 6.134 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -11.607 -1.901 4.585 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.875 -0.446 5.136 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.227 -1.102 3.587 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.347 -0.391 3.884 1.00 0.00 C ATOM 0 H PHE A 83 -10.967 -3.619 9.110 1.00 0.00 H new ATOM 0 HA PHE A 83 -9.489 -2.017 7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.934 -3.634 6.428 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.241 -3.265 7.535 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.675 -1.286 7.129 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.717 -2.465 4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.766 0.118 5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -11.808 -1.060 2.592 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.817 0.217 3.126 1.00 0.00 H new ATOM 1168 N GLU A 84 -11.791 -0.398 8.992 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.335 0.922 9.260 1.00 0.00 C ATOM 1170 C GLU A 84 -11.235 1.858 9.763 1.00 0.00 C ATOM 1171 O GLU A 84 -11.130 2.998 9.313 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.490 0.846 10.260 1.00 0.00 C ATOM 1173 CG GLU A 84 -14.838 1.022 9.556 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.977 1.129 10.572 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -16.173 0.140 11.311 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -16.626 2.197 10.586 1.00 0.00 O ATOM 0 H GLU A 84 -12.079 -1.120 9.652 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.730 1.326 8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.467 -0.114 10.775 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.369 1.618 11.020 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.814 1.918 8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.018 0.178 8.890 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.441 1.342 10.691 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.353 2.117 11.260 1.00 0.00 C ATOM 1185 C GLU A 85 -8.504 2.738 10.148 1.00 0.00 C ATOM 1186 O GLU A 85 -8.276 3.947 10.138 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.494 1.257 12.189 1.00 0.00 C ATOM 1188 CG GLU A 85 -8.616 1.726 13.640 1.00 0.00 C ATOM 1189 CD GLU A 85 -7.383 2.528 14.063 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -6.297 1.912 14.115 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -7.555 3.738 14.325 1.00 0.00 O ATOM 0 H GLU A 85 -10.531 0.396 11.062 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.781 2.923 11.857 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.802 0.214 12.113 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.452 1.305 11.874 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.510 2.339 13.754 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.736 0.864 14.296 1.00 0.00 H new ATOM 1198 N ALA A 86 -8.061 1.883 9.239 1.00 0.00 N ATOM 1199 CA ALA A 86 -7.243 2.332 8.125 1.00 0.00 C ATOM 1200 C ALA A 86 -7.797 3.654 7.592 1.00 0.00 C ATOM 1201 O ALA A 86 -7.097 4.665 7.579 1.00 0.00 O ATOM 1202 CB ALA A 86 -7.199 1.242 7.052 1.00 0.00 C ATOM 0 H ALA A 86 -8.253 0.881 9.251 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.218 2.511 8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.585 1.579 6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.770 0.333 7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.210 1.037 6.700 1.00 0.00 H new ATOM 1208 N ASN A 87 -9.050 3.604 7.163 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.706 4.785 6.630 1.00 0.00 C ATOM 1210 C ASN A 87 -9.595 5.927 7.643 1.00 0.00 C ATOM 1211 O ASN A 87 -9.297 7.062 7.274 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.192 4.522 6.375 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.750 5.493 5.332 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.519 6.690 5.374 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -12.495 4.911 4.396 1.00 0.00 N ATOM 0 H ASN A 87 -9.628 2.764 7.174 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.219 5.045 5.690 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.330 3.496 6.033 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.748 4.625 7.307 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.913 5.473 3.654 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.648 3.903 4.420 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.840 5.586 8.900 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.771 6.568 9.968 1.00 0.00 C ATOM 1224 C GLN A 88 -8.362 7.159 10.056 1.00 0.00 C ATOM 1225 O GLN A 88 -8.201 8.373 10.172 1.00 0.00 O ATOM 1226 CB GLN A 88 -10.192 5.954 11.305 1.00 0.00 C ATOM 1227 CG GLN A 88 -11.468 6.613 11.834 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.684 5.712 11.609 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -13.430 5.394 12.520 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.841 5.320 10.348 1.00 0.00 N ATOM 0 H GLN A 88 -10.086 4.643 9.202 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.468 7.374 9.740 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.356 4.883 11.182 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.389 6.072 12.032 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.359 6.823 12.898 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.622 7.569 11.334 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.179 5.623 9.634 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.623 4.716 10.095 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.379 6.273 9.996 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.989 6.692 10.068 1.00 0.00 C ATOM 1241 C LEU A 89 -5.796 7.949 9.217 1.00 0.00 C ATOM 1242 O LEU A 89 -5.245 8.943 9.688 1.00 0.00 O ATOM 1243 CB LEU A 89 -5.061 5.539 9.680 1.00 0.00 C ATOM 1244 CG LEU A 89 -5.164 4.278 10.540 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.875 3.457 10.465 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.537 4.626 11.982 1.00 0.00 C ATOM 0 H LEU A 89 -7.517 5.267 9.898 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.723 6.955 11.092 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.266 5.267 8.645 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.032 5.898 9.718 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.966 3.657 10.141 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.974 2.566 11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.691 3.161 9.432 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.040 4.058 10.824 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.604 3.712 12.571 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.774 5.278 12.408 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.500 5.137 11.996 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.260 7.865 7.979 1.00 0.00 N ATOM 1259 CA LEU A 90 -6.145 8.983 7.059 1.00 0.00 C ATOM 1260 C LEU A 90 -6.838 10.207 7.661 1.00 0.00 C ATOM 1261 O LEU A 90 -6.197 11.225 7.916 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.673 8.596 5.676 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.786 7.653 4.860 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.296 7.528 3.423 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.322 8.095 4.912 1.00 0.00 C ATOM 0 H LEU A 90 -6.717 7.039 7.592 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.098 9.249 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.650 8.128 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.827 9.508 5.099 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.839 6.661 5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.648 6.852 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.312 7.133 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.292 8.509 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.713 7.408 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.231 9.101 4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.977 8.091 5.946 1.00 0.00 H new ATOM 1277 N ARG A 91 -8.139 10.066 7.871 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.926 11.148 8.439 1.00 0.00 C ATOM 1279 C ARG A 91 -8.137 11.858 9.540 1.00 0.00 C ATOM 1280 O ARG A 91 -8.193 13.081 9.659 1.00 0.00 O ATOM 1281 CB ARG A 91 -10.242 10.625 9.020 1.00 0.00 C ATOM 1282 CG ARG A 91 -11.329 10.563 7.946 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.575 11.337 8.381 1.00 0.00 C ATOM 1284 NE ARG A 91 -13.711 11.011 7.490 1.00 0.00 N ATOM 1285 CZ ARG A 91 -14.939 11.532 7.618 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -15.198 12.406 8.599 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -15.909 11.178 6.763 1.00 0.00 N ATOM 0 H ARG A 91 -8.667 9.220 7.658 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.150 11.852 7.637 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.088 9.633 9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.567 11.273 9.834 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.947 10.977 7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.592 9.524 7.750 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.827 11.087 9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.376 12.408 8.353 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.549 10.349 6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.460 12.676 9.250 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.133 12.802 8.696 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.712 10.512 6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.844 11.574 6.860 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.419 11.061 10.318 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.619 11.598 11.405 1.00 0.00 C ATOM 1303 C ASP A 92 -5.325 12.185 10.839 1.00 0.00 C ATOM 1304 O ASP A 92 -4.964 13.319 11.152 1.00 0.00 O ATOM 1305 CB ASP A 92 -6.243 10.503 12.405 1.00 0.00 C ATOM 1306 CG ASP A 92 -6.748 10.729 13.832 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -6.118 11.549 14.534 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -7.753 10.076 14.188 1.00 0.00 O ATOM 0 H ASP A 92 -7.375 10.047 10.217 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.208 12.362 11.911 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.634 9.552 12.044 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.157 10.412 12.430 1.00 0.00 H new ATOM 1313 N SER A 93 -4.662 11.388 10.014 1.00 0.00 N ATOM 1314 CA SER A 93 -3.416 11.814 9.401 1.00 0.00 C ATOM 1315 C SER A 93 -3.565 13.232 8.844 1.00 0.00 C ATOM 1316 O SER A 93 -2.583 13.964 8.730 1.00 0.00 O ATOM 1317 CB SER A 93 -2.989 10.851 8.292 1.00 0.00 C ATOM 1318 OG SER A 93 -1.731 10.241 8.569 1.00 0.00 O ATOM 0 H SER A 93 -4.965 10.449 9.756 1.00 0.00 H new ATOM 0 HA SER A 93 -2.640 11.810 10.166 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.748 10.078 8.171 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.930 11.390 7.347 1.00 0.00 H new ATOM 0 HG SER A 93 -1.011 10.882 8.393 1.00 0.00 H new ATOM 1324 N SER A 94 -4.801 13.576 8.512 1.00 0.00 N ATOM 1325 CA SER A 94 -5.091 14.892 7.969 1.00 0.00 C ATOM 1326 C SER A 94 -4.563 15.975 8.913 1.00 0.00 C ATOM 1327 O SER A 94 -4.032 16.989 8.464 1.00 0.00 O ATOM 1328 CB SER A 94 -6.592 15.074 7.740 1.00 0.00 C ATOM 1329 OG SER A 94 -6.864 16.015 6.704 1.00 0.00 O ATOM 0 H SER A 94 -5.613 12.966 8.609 1.00 0.00 H new ATOM 0 HA SER A 94 -4.590 14.983 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.039 14.113 7.484 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.062 15.407 8.665 1.00 0.00 H new ATOM 0 HG SER A 94 -7.833 16.102 6.587 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.728 15.722 10.203 1.00 0.00 N ATOM 1336 CA ILE A 95 -4.274 16.662 11.214 1.00 0.00 C ATOM 1337 C ILE A 95 -2.870 17.153 10.855 1.00 0.00 C ATOM 1338 O ILE A 95 -2.699 18.290 10.419 1.00 0.00 O ATOM 1339 CB ILE A 95 -4.370 16.038 12.608 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.825 15.957 13.073 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.490 16.791 13.607 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -6.332 14.513 13.039 1.00 0.00 C ATOM 0 H ILE A 95 -5.170 14.880 10.571 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.922 17.538 11.237 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.993 15.017 12.552 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.910 16.352 14.085 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.450 16.581 12.434 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.576 16.327 14.590 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.452 16.753 13.278 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.814 17.830 13.666 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.369 14.483 13.374 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.269 14.129 12.021 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.720 13.897 13.698 1.00 0.00 H new ATOM 1354 N THR A 96 -1.902 16.271 11.052 1.00 0.00 N ATOM 1355 CA THR A 96 -0.518 16.600 10.754 1.00 0.00 C ATOM 1356 C THR A 96 -0.351 16.904 9.264 1.00 0.00 C ATOM 1357 O THR A 96 0.654 17.483 8.854 1.00 0.00 O ATOM 1358 CB THR A 96 0.358 15.444 11.241 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.680 15.832 10.874 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.116 14.154 10.454 1.00 0.00 C ATOM 0 H THR A 96 -2.048 15.329 11.414 1.00 0.00 H new ATOM 0 HA THR A 96 -0.205 17.505 11.275 1.00 0.00 H new ATOM 0 HB THR A 96 0.167 15.265 12.299 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.314 15.139 11.154 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.763 13.366 10.840 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.926 13.853 10.560 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.339 14.323 9.401 1.00 0.00 H new ATOM 1368 N SER A 97 -1.351 16.499 8.494 1.00 0.00 N ATOM 1369 CA SER A 97 -1.327 16.721 7.059 1.00 0.00 C ATOM 1370 C SER A 97 -0.220 15.881 6.418 1.00 0.00 C ATOM 1371 O SER A 97 0.343 16.267 5.394 1.00 0.00 O ATOM 1372 CB SER A 97 -1.125 18.202 6.733 1.00 0.00 C ATOM 1373 OG SER A 97 -2.296 18.790 6.172 1.00 0.00 O ATOM 0 H SER A 97 -2.183 16.019 8.838 1.00 0.00 H new ATOM 0 HA SER A 97 -2.290 16.415 6.650 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.849 18.739 7.641 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.295 18.310 6.035 1.00 0.00 H new ATOM 0 HG SER A 97 -2.127 19.736 5.979 1.00 0.00 H new ATOM 1379 N LYS A 98 0.059 14.749 7.046 1.00 0.00 N ATOM 1380 CA LYS A 98 1.089 13.852 6.550 1.00 0.00 C ATOM 1381 C LYS A 98 0.760 12.420 6.977 1.00 0.00 C ATOM 1382 O LYS A 98 0.256 12.196 8.076 1.00 0.00 O ATOM 1383 CB LYS A 98 2.473 14.324 6.999 1.00 0.00 C ATOM 1384 CG LYS A 98 3.468 14.287 5.837 1.00 0.00 C ATOM 1385 CD LYS A 98 3.871 15.701 5.414 1.00 0.00 C ATOM 1386 CE LYS A 98 5.393 15.843 5.355 1.00 0.00 C ATOM 1387 NZ LYS A 98 5.880 16.676 6.477 1.00 0.00 N ATOM 0 H LYS A 98 -0.410 14.432 7.894 1.00 0.00 H new ATOM 0 HA LYS A 98 1.112 13.864 5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.405 15.338 7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.832 13.691 7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.355 13.725 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.024 13.763 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.443 15.928 4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.462 16.426 6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.858 14.858 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.686 16.293 4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.915 16.762 6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.450 17.621 6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.617 16.231 7.379 1.00 0.00 H new ATOM 1401 N VAL A 99 1.059 11.487 6.085 1.00 0.00 N ATOM 1402 CA VAL A 99 0.802 10.083 6.355 1.00 0.00 C ATOM 1403 C VAL A 99 1.972 9.245 5.837 1.00 0.00 C ATOM 1404 O VAL A 99 2.638 9.629 4.876 1.00 0.00 O ATOM 1405 CB VAL A 99 -0.542 9.671 5.750 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.497 9.731 4.222 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -0.958 8.280 6.232 1.00 0.00 C ATOM 0 H VAL A 99 1.477 11.676 5.174 1.00 0.00 H new ATOM 0 HA VAL A 99 0.728 9.909 7.428 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.294 10.382 6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.464 9.433 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.268 10.748 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.274 9.054 3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.916 8.012 5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.204 7.551 5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.051 8.284 7.318 1.00 0.00 H new ATOM 1417 N THR A 100 2.188 8.116 6.496 1.00 0.00 N ATOM 1418 CA THR A 100 3.267 7.221 6.114 1.00 0.00 C ATOM 1419 C THR A 100 2.705 5.873 5.659 1.00 0.00 C ATOM 1420 O THR A 100 2.400 5.013 6.483 1.00 0.00 O ATOM 1421 CB THR A 100 4.230 7.110 7.297 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.498 8.462 7.655 1.00 0.00 O ATOM 1423 CG2 THR A 100 5.597 6.555 6.889 1.00 0.00 C ATOM 0 H THR A 100 1.634 7.801 7.292 1.00 0.00 H new ATOM 0 HA THR A 100 3.822 7.611 5.261 1.00 0.00 H new ATOM 0 HB THR A 100 3.792 6.470 8.063 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.114 8.483 8.417 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.242 6.497 7.766 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.473 5.560 6.463 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.050 7.213 6.148 1.00 0.00 H new ATOM 1431 N LEU A 101 2.585 5.730 4.347 1.00 0.00 N ATOM 1432 CA LEU A 101 2.066 4.501 3.772 1.00 0.00 C ATOM 1433 C LEU A 101 3.229 3.559 3.455 1.00 0.00 C ATOM 1434 O LEU A 101 4.017 3.823 2.548 1.00 0.00 O ATOM 1435 CB LEU A 101 1.177 4.808 2.565 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.200 5.397 2.878 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -0.100 6.481 3.954 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -0.878 5.912 1.607 1.00 0.00 C ATOM 0 H LEU A 101 2.839 6.446 3.666 1.00 0.00 H new ATOM 0 HA LEU A 101 1.426 3.987 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.708 5.503 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.036 3.887 1.999 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.829 4.602 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.092 6.884 4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.312 6.051 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.552 7.282 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.855 6.325 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.261 6.688 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.002 5.090 0.902 1.00 0.00 H new ATOM 1450 N GLU A 102 3.300 2.480 4.221 1.00 0.00 N ATOM 1451 CA GLU A 102 4.354 1.498 4.033 1.00 0.00 C ATOM 1452 C GLU A 102 3.897 0.408 3.062 1.00 0.00 C ATOM 1453 O GLU A 102 3.111 -0.465 3.427 1.00 0.00 O ATOM 1454 CB GLU A 102 4.786 0.894 5.371 1.00 0.00 C ATOM 1455 CG GLU A 102 6.237 0.413 5.313 1.00 0.00 C ATOM 1456 CD GLU A 102 7.053 0.991 6.471 1.00 0.00 C ATOM 1457 OE1 GLU A 102 7.083 2.237 6.577 1.00 0.00 O ATOM 1458 OE2 GLU A 102 7.629 0.176 7.223 1.00 0.00 O ATOM 0 H GLU A 102 2.645 2.265 4.973 1.00 0.00 H new ATOM 0 HA GLU A 102 5.220 2.001 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.677 1.637 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.132 0.059 5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.265 -0.676 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.685 0.710 4.364 1.00 0.00 H new ATOM 1465 N ILE A 103 4.410 0.493 1.843 1.00 0.00 N ATOM 1466 CA ILE A 103 4.064 -0.475 0.816 1.00 0.00 C ATOM 1467 C ILE A 103 5.179 -1.517 0.708 1.00 0.00 C ATOM 1468 O ILE A 103 6.303 -1.277 1.146 1.00 0.00 O ATOM 1469 CB ILE A 103 3.753 0.232 -0.504 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.547 1.162 -0.357 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.562 -0.779 -1.636 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.244 0.363 -0.286 1.00 0.00 C ATOM 0 H ILE A 103 5.063 1.217 1.544 1.00 0.00 H new ATOM 0 HA ILE A 103 3.153 -1.009 1.087 1.00 0.00 H new ATOM 0 HB ILE A 103 4.609 0.853 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.657 1.766 0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.510 1.851 -1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.342 -0.250 -2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.474 -1.364 -1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.734 -1.445 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.402 1.048 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.125 -0.221 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.275 -0.308 0.573 1.00 0.00 H new ATOM 1484 N GLU A 104 4.829 -2.653 0.122 1.00 0.00 N ATOM 1485 CA GLU A 104 5.786 -3.732 -0.050 1.00 0.00 C ATOM 1486 C GLU A 104 5.704 -4.294 -1.471 1.00 0.00 C ATOM 1487 O GLU A 104 4.627 -4.338 -2.063 1.00 0.00 O ATOM 1488 CB GLU A 104 5.563 -4.834 0.989 1.00 0.00 C ATOM 1489 CG GLU A 104 6.336 -6.101 0.619 1.00 0.00 C ATOM 1490 CD GLU A 104 6.732 -6.886 1.871 1.00 0.00 C ATOM 1491 OE1 GLU A 104 7.673 -6.428 2.554 1.00 0.00 O ATOM 1492 OE2 GLU A 104 6.085 -7.927 2.117 1.00 0.00 O ATOM 0 H GLU A 104 3.896 -2.849 -0.240 1.00 0.00 H new ATOM 0 HA GLU A 104 6.788 -3.330 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.881 -4.483 1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.499 -5.061 1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.724 -6.728 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.230 -5.835 0.055 1.00 0.00 H new ATOM 1499 N PHE A 105 6.856 -4.710 -1.976 1.00 0.00 N ATOM 1500 CA PHE A 105 6.928 -5.266 -3.316 1.00 0.00 C ATOM 1501 C PHE A 105 7.950 -6.404 -3.383 1.00 0.00 C ATOM 1502 O PHE A 105 8.571 -6.744 -2.378 1.00 0.00 O ATOM 1503 CB PHE A 105 7.377 -4.138 -4.246 1.00 0.00 C ATOM 1504 CG PHE A 105 8.688 -3.469 -3.825 1.00 0.00 C ATOM 1505 CD1 PHE A 105 9.878 -4.042 -4.148 1.00 0.00 C ATOM 1506 CD2 PHE A 105 8.662 -2.302 -3.128 1.00 0.00 C ATOM 1507 CE1 PHE A 105 11.094 -3.422 -3.757 1.00 0.00 C ATOM 1508 CE2 PHE A 105 9.878 -1.681 -2.737 1.00 0.00 C ATOM 1509 CZ PHE A 105 11.068 -2.254 -3.060 1.00 0.00 C ATOM 0 H PHE A 105 7.747 -4.673 -1.481 1.00 0.00 H new ATOM 0 HA PHE A 105 5.957 -5.668 -3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.492 -4.536 -5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.593 -3.382 -4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.898 -4.969 -4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 105 7.717 -1.847 -2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 105 12.039 -3.877 -4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 105 9.857 -0.754 -2.183 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.993 -1.782 -2.763 1.00 0.00 H new ATOM 1519 N ASP A 106 8.091 -6.959 -4.578 1.00 0.00 N ATOM 1520 CA ASP A 106 9.027 -8.051 -4.789 1.00 0.00 C ATOM 1521 C ASP A 106 10.251 -7.529 -5.544 1.00 0.00 C ATOM 1522 O ASP A 106 10.139 -7.090 -6.687 1.00 0.00 O ATOM 1523 CB ASP A 106 8.394 -9.164 -5.627 1.00 0.00 C ATOM 1524 CG ASP A 106 7.367 -8.693 -6.658 1.00 0.00 C ATOM 1525 OD1 ASP A 106 6.242 -8.358 -6.227 1.00 0.00 O ATOM 1526 OD2 ASP A 106 7.730 -8.678 -7.854 1.00 0.00 O ATOM 0 H ASP A 106 7.573 -6.673 -5.409 1.00 0.00 H new ATOM 0 HA ASP A 106 9.307 -8.448 -3.814 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.187 -9.703 -6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 106 7.912 -9.875 -4.955 1.00 0.00 H new ATOM 1531 N VAL A 107 11.392 -7.594 -4.873 1.00 0.00 N ATOM 1532 CA VAL A 107 12.636 -7.133 -5.467 1.00 0.00 C ATOM 1533 C VAL A 107 13.057 -8.102 -6.573 1.00 0.00 C ATOM 1534 O VAL A 107 12.680 -9.272 -6.555 1.00 0.00 O ATOM 1535 CB VAL A 107 13.701 -6.964 -4.382 1.00 0.00 C ATOM 1536 CG1 VAL A 107 13.124 -6.263 -3.150 1.00 0.00 C ATOM 1537 CG2 VAL A 107 14.320 -8.312 -4.006 1.00 0.00 C ATOM 0 H VAL A 107 11.481 -7.959 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 107 12.501 -6.154 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 107 14.492 -6.333 -4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 107 13.902 -6.156 -2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.754 -5.277 -3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 107 12.304 -6.856 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 107 15.074 -8.163 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 107 13.542 -8.978 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 107 14.785 -8.757 -4.886 1.00 0.00 H new ATOM 1547 N ALA A 108 13.834 -7.578 -7.510 1.00 0.00 N ATOM 1548 CA ALA A 108 14.312 -8.382 -8.622 1.00 0.00 C ATOM 1549 C ALA A 108 15.612 -9.081 -8.220 1.00 0.00 C ATOM 1550 O ALA A 108 16.340 -8.595 -7.355 1.00 0.00 O ATOM 1551 CB ALA A 108 14.484 -7.495 -9.856 1.00 0.00 C ATOM 0 H ALA A 108 14.144 -6.606 -7.522 1.00 0.00 H new ATOM 0 HA ALA A 108 13.587 -9.156 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 108 14.843 -8.098 -10.690 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.526 -7.046 -10.118 1.00 0.00 H new ATOM 0 HB3 ALA A 108 15.206 -6.708 -9.640 1.00 0.00 H new ATOM 1557 N GLU A 109 15.864 -10.209 -8.867 1.00 0.00 N ATOM 1558 CA GLU A 109 17.064 -10.979 -8.587 1.00 0.00 C ATOM 1559 C GLU A 109 17.962 -11.030 -9.825 1.00 0.00 C ATOM 1560 O GLU A 109 17.494 -10.831 -10.945 1.00 0.00 O ATOM 1561 CB GLU A 109 16.712 -12.388 -8.107 1.00 0.00 C ATOM 1562 CG GLU A 109 16.911 -12.518 -6.596 1.00 0.00 C ATOM 1563 CD GLU A 109 17.491 -13.887 -6.234 1.00 0.00 C ATOM 1564 OE1 GLU A 109 18.340 -14.368 -7.015 1.00 0.00 O ATOM 1565 OE2 GLU A 109 17.071 -14.423 -5.186 1.00 0.00 O ATOM 0 H GLU A 109 15.258 -10.608 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 109 17.611 -10.484 -7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.677 -12.615 -8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.335 -13.118 -8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.579 -11.732 -6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.958 -12.377 -6.087 1.00 0.00 H new ATOM 1572 N SER A 110 19.237 -11.299 -9.582 1.00 0.00 N ATOM 1573 CA SER A 110 20.205 -11.379 -10.662 1.00 0.00 C ATOM 1574 C SER A 110 20.023 -12.690 -11.431 1.00 0.00 C ATOM 1575 O SER A 110 20.407 -13.754 -10.949 1.00 0.00 O ATOM 1576 CB SER A 110 21.635 -11.270 -10.130 1.00 0.00 C ATOM 1577 OG SER A 110 21.836 -10.073 -9.384 1.00 0.00 O ATOM 0 H SER A 110 19.622 -11.464 -8.652 1.00 0.00 H new ATOM 0 HA SER A 110 20.033 -10.541 -11.338 1.00 0.00 H new ATOM 0 HB2 SER A 110 21.854 -12.132 -9.499 1.00 0.00 H new ATOM 0 HB3 SER A 110 22.336 -11.299 -10.964 1.00 0.00 H new ATOM 0 HG SER A 110 22.760 -10.041 -9.060 1.00 0.00 H new ATOM 1583 N VAL A 111 19.438 -12.568 -12.614 1.00 0.00 N ATOM 1584 CA VAL A 111 19.202 -13.730 -13.454 1.00 0.00 C ATOM 1585 C VAL A 111 20.446 -14.004 -14.301 1.00 0.00 C ATOM 1586 O VAL A 111 21.105 -13.073 -14.762 1.00 0.00 O ATOM 1587 CB VAL A 111 17.941 -13.519 -14.295 1.00 0.00 C ATOM 1588 CG1 VAL A 111 17.777 -14.638 -15.326 1.00 0.00 C ATOM 1589 CG2 VAL A 111 16.701 -13.406 -13.406 1.00 0.00 C ATOM 0 H VAL A 111 19.121 -11.683 -13.010 1.00 0.00 H new ATOM 0 HA VAL A 111 19.025 -14.614 -12.842 1.00 0.00 H new ATOM 0 HB VAL A 111 18.052 -12.579 -14.835 1.00 0.00 H new ATOM 0 HG11 VAL A 111 16.874 -14.465 -15.911 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.642 -14.651 -15.990 1.00 0.00 H new ATOM 0 HG13 VAL A 111 17.699 -15.597 -14.813 1.00 0.00 H new ATOM 0 HG21 VAL A 111 15.819 -13.256 -14.029 1.00 0.00 H new ATOM 0 HG22 VAL A 111 16.585 -14.321 -12.826 1.00 0.00 H new ATOM 0 HG23 VAL A 111 16.815 -12.559 -12.729 1.00 0.00 H new ATOM 1599 N ILE A 112 20.731 -15.286 -14.480 1.00 0.00 N ATOM 1600 CA ILE A 112 21.885 -15.694 -15.262 1.00 0.00 C ATOM 1601 C ILE A 112 21.796 -15.070 -16.657 1.00 0.00 C ATOM 1602 O ILE A 112 20.733 -15.073 -17.276 1.00 0.00 O ATOM 1603 CB ILE A 112 22.010 -17.219 -15.278 1.00 0.00 C ATOM 1604 CG1 ILE A 112 22.160 -17.771 -13.859 1.00 0.00 C ATOM 1605 CG2 ILE A 112 23.153 -17.666 -16.191 1.00 0.00 C ATOM 1606 CD1 ILE A 112 21.196 -18.934 -13.618 1.00 0.00 C ATOM 0 H ILE A 112 20.182 -16.055 -14.097 1.00 0.00 H new ATOM 0 HA ILE A 112 22.804 -15.327 -14.805 1.00 0.00 H new ATOM 0 HB ILE A 112 21.089 -17.633 -15.689 1.00 0.00 H new ATOM 0 HG12 ILE A 112 23.185 -18.105 -13.702 1.00 0.00 H new ATOM 0 HG13 ILE A 112 21.968 -16.979 -13.135 1.00 0.00 H new ATOM 0 HG21 ILE A 112 23.220 -18.754 -16.184 1.00 0.00 H new ATOM 0 HG22 ILE A 112 22.963 -17.321 -17.207 1.00 0.00 H new ATOM 0 HG23 ILE A 112 24.091 -17.243 -15.833 1.00 0.00 H new ATOM 0 HD11 ILE A 112 21.323 -19.308 -12.602 1.00 0.00 H new ATOM 0 HD12 ILE A 112 20.170 -18.590 -13.752 1.00 0.00 H new ATOM 0 HD13 ILE A 112 21.406 -19.734 -14.328 1.00 0.00 H new ATOM 1618 N PRO A 113 22.957 -14.537 -17.123 1.00 0.00 N ATOM 1619 CA PRO A 113 23.021 -13.911 -18.432 1.00 0.00 C ATOM 1620 C PRO A 113 23.018 -14.963 -19.543 1.00 0.00 C ATOM 1621 O PRO A 113 23.988 -15.702 -19.706 1.00 0.00 O ATOM 1622 CB PRO A 113 24.291 -13.076 -18.408 1.00 0.00 C ATOM 1623 CG PRO A 113 25.129 -13.626 -17.266 1.00 0.00 C ATOM 1624 CD PRO A 113 24.235 -14.515 -16.417 1.00 0.00 C ATOM 0 HA PRO A 113 22.153 -13.285 -18.642 1.00 0.00 H new ATOM 0 HB2 PRO A 113 24.825 -13.150 -19.355 1.00 0.00 H new ATOM 0 HB3 PRO A 113 24.062 -12.022 -18.252 1.00 0.00 H new ATOM 0 HG2 PRO A 113 25.975 -14.194 -17.653 1.00 0.00 H new ATOM 0 HG3 PRO A 113 25.538 -12.813 -16.667 1.00 0.00 H new ATOM 0 HD2 PRO A 113 24.651 -15.518 -16.320 1.00 0.00 H new ATOM 0 HD3 PRO A 113 24.124 -14.117 -15.408 1.00 0.00 H new ATOM 1632 N SER A 114 21.917 -14.996 -20.280 1.00 0.00 N ATOM 1633 CA SER A 114 21.775 -15.946 -21.371 1.00 0.00 C ATOM 1634 C SER A 114 20.508 -15.638 -22.171 1.00 0.00 C ATOM 1635 O SER A 114 19.463 -16.247 -21.944 1.00 0.00 O ATOM 1636 CB SER A 114 21.738 -17.383 -20.849 1.00 0.00 C ATOM 1637 OG SER A 114 22.920 -18.105 -21.186 1.00 0.00 O ATOM 0 H SER A 114 21.115 -14.380 -20.143 1.00 0.00 H new ATOM 0 HA SER A 114 22.642 -15.849 -22.024 1.00 0.00 H new ATOM 0 HB2 SER A 114 21.616 -17.372 -19.766 1.00 0.00 H new ATOM 0 HB3 SER A 114 20.870 -17.896 -21.262 1.00 0.00 H new ATOM 0 HG SER A 114 23.705 -17.615 -20.864 1.00 0.00 H new ATOM 1643 N SER A 115 20.641 -14.693 -23.090 1.00 0.00 N ATOM 1644 CA SER A 115 19.520 -14.297 -23.925 1.00 0.00 C ATOM 1645 C SER A 115 19.973 -13.259 -24.953 1.00 0.00 C ATOM 1646 O SER A 115 20.337 -12.141 -24.593 1.00 0.00 O ATOM 1647 CB SER A 115 18.373 -13.740 -23.079 1.00 0.00 C ATOM 1648 OG SER A 115 17.121 -14.327 -23.424 1.00 0.00 O ATOM 0 H SER A 115 21.509 -14.190 -23.275 1.00 0.00 H new ATOM 0 HA SER A 115 19.155 -15.181 -24.448 1.00 0.00 H new ATOM 0 HB2 SER A 115 18.580 -13.921 -22.024 1.00 0.00 H new ATOM 0 HB3 SER A 115 18.316 -12.660 -23.212 1.00 0.00 H new ATOM 0 HG SER A 115 16.415 -13.947 -22.861 1.00 0.00 H new ATOM 1654 N GLY A 116 19.937 -13.667 -26.213 1.00 0.00 N ATOM 1655 CA GLY A 116 20.339 -12.786 -27.296 1.00 0.00 C ATOM 1656 C GLY A 116 19.771 -11.379 -27.099 1.00 0.00 C ATOM 1657 O GLY A 116 18.569 -11.214 -26.896 1.00 0.00 O ATOM 0 H GLY A 116 19.636 -14.596 -26.508 1.00 0.00 H new ATOM 0 HA2 GLY A 116 21.427 -12.739 -27.346 1.00 0.00 H new ATOM 0 HA3 GLY A 116 19.993 -13.192 -28.247 1.00 0.00 H new ATOM 1661 N SER A 117 20.662 -10.401 -27.167 1.00 0.00 N ATOM 1662 CA SER A 117 20.264 -9.013 -26.998 1.00 0.00 C ATOM 1663 C SER A 117 19.130 -8.673 -27.968 1.00 0.00 C ATOM 1664 O SER A 117 19.087 -9.188 -29.084 1.00 0.00 O ATOM 1665 CB SER A 117 21.449 -8.070 -27.215 1.00 0.00 C ATOM 1666 OG SER A 117 22.177 -7.843 -26.011 1.00 0.00 O ATOM 0 H SER A 117 21.658 -10.542 -27.337 1.00 0.00 H new ATOM 0 HA SER A 117 19.911 -8.880 -25.975 1.00 0.00 H new ATOM 0 HB2 SER A 117 22.115 -8.492 -27.968 1.00 0.00 H new ATOM 0 HB3 SER A 117 21.089 -7.118 -27.606 1.00 0.00 H new ATOM 0 HG SER A 117 22.926 -7.238 -26.191 1.00 0.00 H new ATOM 1672 N GLY A 118 18.240 -7.807 -27.506 1.00 0.00 N ATOM 1673 CA GLY A 118 17.109 -7.392 -28.318 1.00 0.00 C ATOM 1674 C GLY A 118 15.802 -7.490 -27.529 1.00 0.00 C ATOM 1675 O GLY A 118 15.123 -8.515 -27.571 1.00 0.00 O ATOM 0 H GLY A 118 18.279 -7.381 -26.580 1.00 0.00 H new ATOM 0 HA2 GLY A 118 17.257 -6.367 -28.657 1.00 0.00 H new ATOM 0 HA3 GLY A 118 17.048 -8.017 -29.209 1.00 0.00 H new ATOM 1679 N PRO A 119 15.479 -6.382 -26.810 1.00 0.00 N ATOM 1680 CA PRO A 119 14.265 -6.334 -26.013 1.00 0.00 C ATOM 1681 C PRO A 119 13.033 -6.157 -26.902 1.00 0.00 C ATOM 1682 O PRO A 119 12.009 -6.805 -26.685 1.00 0.00 O ATOM 1683 CB PRO A 119 14.473 -5.177 -25.050 1.00 0.00 C ATOM 1684 CG PRO A 119 15.587 -4.331 -25.647 1.00 0.00 C ATOM 1685 CD PRO A 119 16.259 -5.150 -26.737 1.00 0.00 C ATOM 0 HA PRO A 119 14.082 -7.260 -25.469 1.00 0.00 H new ATOM 0 HB2 PRO A 119 13.559 -4.595 -24.936 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.746 -5.539 -24.059 1.00 0.00 H new ATOM 0 HG2 PRO A 119 15.185 -3.405 -26.058 1.00 0.00 H new ATOM 0 HG3 PRO A 119 16.308 -4.052 -24.879 1.00 0.00 H new ATOM 0 HD2 PRO A 119 16.253 -4.621 -27.690 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.301 -5.355 -26.492 1.00 0.00 H new ATOM 1693 N SER A 120 13.171 -5.278 -27.883 1.00 0.00 N ATOM 1694 CA SER A 120 12.081 -5.008 -28.806 1.00 0.00 C ATOM 1695 C SER A 120 10.754 -4.952 -28.046 1.00 0.00 C ATOM 1696 O SER A 120 10.004 -5.927 -28.027 1.00 0.00 O ATOM 1697 CB SER A 120 12.017 -6.068 -29.907 1.00 0.00 C ATOM 1698 OG SER A 120 12.053 -7.391 -29.379 1.00 0.00 O ATOM 0 H SER A 120 14.021 -4.743 -28.059 1.00 0.00 H new ATOM 0 HA SER A 120 12.263 -4.043 -29.278 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.103 -5.934 -30.486 1.00 0.00 H new ATOM 0 HB3 SER A 120 12.853 -5.929 -30.593 1.00 0.00 H new ATOM 0 HG SER A 120 11.476 -7.444 -28.589 1.00 0.00 H new ATOM 1704 N SER A 121 10.505 -3.801 -27.438 1.00 0.00 N ATOM 1705 CA SER A 121 9.282 -3.606 -26.679 1.00 0.00 C ATOM 1706 C SER A 121 8.321 -2.706 -27.459 1.00 0.00 C ATOM 1707 O SER A 121 8.600 -1.526 -27.667 1.00 0.00 O ATOM 1708 CB SER A 121 9.577 -3.002 -25.305 1.00 0.00 C ATOM 1709 OG SER A 121 8.558 -3.307 -24.357 1.00 0.00 O ATOM 0 H SER A 121 11.129 -2.995 -27.456 1.00 0.00 H new ATOM 0 HA SER A 121 8.816 -4.579 -26.525 1.00 0.00 H new ATOM 0 HB2 SER A 121 10.534 -3.377 -24.942 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.674 -1.920 -25.398 1.00 0.00 H new ATOM 0 HG SER A 121 8.785 -2.905 -23.492 1.00 0.00 H new ATOM 1715 N GLY A 122 7.208 -3.297 -27.868 1.00 0.00 N ATOM 1716 CA GLY A 122 6.204 -2.563 -28.620 1.00 0.00 C ATOM 1717 C GLY A 122 6.800 -1.973 -29.899 1.00 0.00 C ATOM 1718 O GLY A 122 8.000 -2.091 -30.142 1.00 0.00 O ATOM 0 H GLY A 122 6.979 -4.275 -27.693 1.00 0.00 H new ATOM 0 HA2 GLY A 122 5.377 -3.226 -28.872 1.00 0.00 H new ATOM 0 HA3 GLY A 122 5.795 -1.763 -28.003 1.00 0.00 H new TER 1722 GLY A 122