USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 958 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 58 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0937 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 1.11 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 33:sc= 0.401 USER MOD Single : A 6 SER OG : rot 14:sc= 0.925 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.9!) USER MOD Single : A 16 SER OG : rot 33:sc= 0.00604 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc=-0.00167 K(o=-0.0017,f=-1.1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 151:sc= -0.078 (180deg=-0.117) USER MOD Single : A 27 CYS SG : rot 144:sc= -3.6 USER MOD Single : A 29 SER OG : rot -105:sc= -1.17 USER MOD Single : A 30 MET CE :methyl 158:sc= -0.0949 (180deg=-0.491) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0446 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0786 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -6.33! C(o=-6.3!,f=-18!) USER MOD Single : A 52 THR OG1 : rot -24:sc= 0.661 USER MOD Single : A 53 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.022) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.078) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 111:sc= 1.24 USER MOD Single : A 92 TYR OH : rot 110:sc= 0.366 USER MOD Single : A 99 HIS : no HD1:sc= -5.5! K(o=-5.5!,f=-2.2) USER MOD Single : A 100 THR OG1 : rot 20:sc= -1.1 USER MOD Single : A 108 SER OG : rot -94:sc= -0.624! USER MOD Single : A 109 SER OG : rot -14:sc= 0.731! USER MOD Single : A 115 THR OG1 : rot -174:sc= 0.386 USER MOD Single : A 121 SER OG : rot 155:sc= -0.354 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.655 -13.871 13.669 1.00 0.00 N ATOM 2 CA GLY A 1 9.924 -14.815 14.738 1.00 0.00 C ATOM 3 C GLY A 1 10.665 -16.045 14.253 1.00 0.00 C ATOM 4 O GLY A 1 11.128 -16.089 13.113 1.00 0.00 O ATOM 0 H1 GLY A 1 9.992 -12.927 13.947 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.149 -14.174 12.805 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.632 -13.834 13.488 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.511 -14.323 15.513 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.983 -15.119 15.196 1.00 0.00 H new ATOM 8 N SER A 2 10.780 -17.045 15.120 1.00 0.00 N ATOM 9 CA SER A 2 11.475 -18.280 14.776 1.00 0.00 C ATOM 10 C SER A 2 10.490 -19.344 14.300 1.00 0.00 C ATOM 11 O SER A 2 9.738 -19.908 15.094 1.00 0.00 O ATOM 12 CB SER A 2 12.263 -18.800 15.980 1.00 0.00 C ATOM 13 OG SER A 2 11.394 -19.185 17.030 1.00 0.00 O ATOM 0 H SER A 2 10.401 -17.025 16.067 1.00 0.00 H new ATOM 0 HA SER A 2 12.169 -18.063 13.964 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.874 -19.651 15.679 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.945 -18.027 16.333 1.00 0.00 H new ATOM 0 HG SER A 2 10.607 -19.634 16.656 1.00 0.00 H new ATOM 19 N SER A 3 10.501 -19.612 12.998 1.00 0.00 N ATOM 20 CA SER A 3 9.607 -20.605 12.415 1.00 0.00 C ATOM 21 C SER A 3 9.804 -21.967 13.073 1.00 0.00 C ATOM 22 O SER A 3 10.926 -22.360 13.388 1.00 0.00 O ATOM 23 CB SER A 3 9.846 -20.714 10.908 1.00 0.00 C ATOM 24 OG SER A 3 9.144 -19.704 10.205 1.00 0.00 O ATOM 0 H SER A 3 11.119 -19.155 12.327 1.00 0.00 H new ATOM 0 HA SER A 3 8.581 -20.282 12.591 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.913 -20.632 10.699 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.527 -21.695 10.556 1.00 0.00 H new ATOM 0 HG SER A 3 9.315 -19.795 9.244 1.00 0.00 H new ATOM 30 N GLY A 4 8.703 -22.683 13.278 1.00 0.00 N ATOM 31 CA GLY A 4 8.775 -23.993 13.898 1.00 0.00 C ATOM 32 C GLY A 4 8.655 -25.119 12.890 1.00 0.00 C ATOM 33 O GLY A 4 7.550 -25.506 12.509 1.00 0.00 O ATOM 0 H GLY A 4 7.762 -22.379 13.026 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.720 -24.087 14.432 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.980 -24.086 14.638 1.00 0.00 H new ATOM 37 N SER A 5 9.795 -25.645 12.454 1.00 0.00 N ATOM 38 CA SER A 5 9.814 -26.729 11.479 1.00 0.00 C ATOM 39 C SER A 5 10.791 -27.822 11.901 1.00 0.00 C ATOM 40 O SER A 5 11.981 -27.568 12.090 1.00 0.00 O ATOM 41 CB SER A 5 10.194 -26.195 10.097 1.00 0.00 C ATOM 42 OG SER A 5 11.504 -25.652 10.103 1.00 0.00 O ATOM 0 H SER A 5 10.718 -25.338 12.761 1.00 0.00 H new ATOM 0 HA SER A 5 8.813 -27.159 11.431 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.133 -26.999 9.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.481 -25.430 9.791 1.00 0.00 H new ATOM 0 HG SER A 5 12.064 -26.156 10.730 1.00 0.00 H new ATOM 48 N SER A 6 10.280 -29.040 12.047 1.00 0.00 N ATOM 49 CA SER A 6 11.106 -30.173 12.450 1.00 0.00 C ATOM 50 C SER A 6 12.089 -30.548 11.346 1.00 0.00 C ATOM 51 O SER A 6 11.690 -30.910 10.240 1.00 0.00 O ATOM 52 CB SER A 6 10.225 -31.375 12.796 1.00 0.00 C ATOM 53 OG SER A 6 9.699 -31.976 11.625 1.00 0.00 O ATOM 0 H SER A 6 9.298 -29.268 11.892 1.00 0.00 H new ATOM 0 HA SER A 6 11.674 -29.882 13.334 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.807 -32.108 13.354 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.408 -31.057 13.444 1.00 0.00 H new ATOM 0 HG SER A 6 10.176 -31.635 10.840 1.00 0.00 H new ATOM 59 N GLY A 7 13.379 -30.459 11.656 1.00 0.00 N ATOM 60 CA GLY A 7 14.401 -30.792 10.680 1.00 0.00 C ATOM 61 C GLY A 7 15.471 -29.724 10.573 1.00 0.00 C ATOM 62 O GLY A 7 15.165 -28.537 10.450 1.00 0.00 O ATOM 0 H GLY A 7 13.735 -30.162 12.565 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.864 -31.740 10.953 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.935 -30.934 9.705 1.00 0.00 H new ATOM 66 N THR A 8 16.731 -30.144 10.622 1.00 0.00 N ATOM 67 CA THR A 8 17.850 -29.214 10.533 1.00 0.00 C ATOM 68 C THR A 8 17.522 -28.045 9.611 1.00 0.00 C ATOM 69 O THR A 8 17.242 -28.235 8.428 1.00 0.00 O ATOM 70 CB THR A 8 19.123 -29.915 10.021 1.00 0.00 C ATOM 71 OG1 THR A 8 19.439 -31.031 10.860 1.00 0.00 O ATOM 72 CG2 THR A 8 20.298 -28.949 9.991 1.00 0.00 C ATOM 0 H THR A 8 17.002 -31.122 10.723 1.00 0.00 H new ATOM 0 HA THR A 8 18.030 -28.839 11.540 1.00 0.00 H new ATOM 0 HB THR A 8 18.935 -30.265 9.006 1.00 0.00 H new ATOM 0 HG1 THR A 8 20.248 -31.472 10.527 1.00 0.00 H new ATOM 0 HG21 THR A 8 21.185 -29.467 9.626 1.00 0.00 H new ATOM 0 HG22 THR A 8 20.066 -28.115 9.329 1.00 0.00 H new ATOM 0 HG23 THR A 8 20.485 -28.573 10.997 1.00 0.00 H new ATOM 80 N ILE A 9 17.559 -26.836 10.161 1.00 0.00 N ATOM 81 CA ILE A 9 17.267 -25.636 9.387 1.00 0.00 C ATOM 82 C ILE A 9 17.981 -25.663 8.040 1.00 0.00 C ATOM 83 O ILE A 9 18.905 -26.449 7.833 1.00 0.00 O ATOM 84 CB ILE A 9 17.678 -24.361 10.148 1.00 0.00 C ATOM 85 CG1 ILE A 9 19.188 -24.352 10.393 1.00 0.00 C ATOM 86 CG2 ILE A 9 16.921 -24.263 11.464 1.00 0.00 C ATOM 87 CD1 ILE A 9 19.728 -22.995 10.787 1.00 0.00 C ATOM 0 H ILE A 9 17.788 -26.662 11.139 1.00 0.00 H new ATOM 0 HA ILE A 9 16.189 -25.620 9.224 1.00 0.00 H new ATOM 0 HB ILE A 9 17.423 -23.493 9.539 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.425 -25.070 11.178 1.00 0.00 H new ATOM 0 HG13 ILE A 9 19.697 -24.688 9.489 1.00 0.00 H new ATOM 0 HG21 ILE A 9 17.222 -23.357 11.990 1.00 0.00 H new ATOM 0 HG22 ILE A 9 15.850 -24.229 11.266 1.00 0.00 H new ATOM 0 HG23 ILE A 9 17.148 -25.133 12.080 1.00 0.00 H new ATOM 0 HD11 ILE A 9 20.804 -23.064 10.945 1.00 0.00 H new ATOM 0 HD12 ILE A 9 19.523 -22.277 9.993 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.247 -22.665 11.708 1.00 0.00 H new ATOM 99 N GLU A 10 17.547 -24.798 7.129 1.00 0.00 N ATOM 100 CA GLU A 10 18.147 -24.723 5.802 1.00 0.00 C ATOM 101 C GLU A 10 17.893 -23.359 5.166 1.00 0.00 C ATOM 102 O GLU A 10 16.747 -22.962 4.960 1.00 0.00 O ATOM 103 CB GLU A 10 17.589 -25.828 4.902 1.00 0.00 C ATOM 104 CG GLU A 10 18.311 -25.953 3.571 1.00 0.00 C ATOM 105 CD GLU A 10 18.006 -27.257 2.861 1.00 0.00 C ATOM 106 OE1 GLU A 10 18.258 -28.328 3.452 1.00 0.00 O ATOM 107 OE2 GLU A 10 17.513 -27.207 1.715 1.00 0.00 O ATOM 0 H GLU A 10 16.783 -24.140 7.285 1.00 0.00 H new ATOM 0 HA GLU A 10 19.223 -24.860 5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.650 -26.780 5.430 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.533 -25.634 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.027 -25.119 2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 10 19.386 -25.877 3.737 1.00 0.00 H new ATOM 114 N ALA A 11 18.972 -22.646 4.860 1.00 0.00 N ATOM 115 CA ALA A 11 18.868 -21.328 4.247 1.00 0.00 C ATOM 116 C ALA A 11 18.794 -21.433 2.728 1.00 0.00 C ATOM 117 O ALA A 11 19.790 -21.231 2.033 1.00 0.00 O ATOM 118 CB ALA A 11 20.045 -20.458 4.662 1.00 0.00 C ATOM 0 H ALA A 11 19.928 -22.959 5.027 1.00 0.00 H new ATOM 0 HA ALA A 11 17.946 -20.864 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 11 19.954 -19.477 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 11 20.050 -20.346 5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.975 -20.927 4.341 1.00 0.00 H new ATOM 124 N ARG A 12 17.609 -21.750 2.218 1.00 0.00 N ATOM 125 CA ARG A 12 17.406 -21.884 0.780 1.00 0.00 C ATOM 126 C ARG A 12 17.024 -20.544 0.158 1.00 0.00 C ATOM 127 O ARG A 12 16.054 -19.908 0.573 1.00 0.00 O ATOM 128 CB ARG A 12 16.320 -22.921 0.491 1.00 0.00 C ATOM 129 CG ARG A 12 16.404 -23.518 -0.904 1.00 0.00 C ATOM 130 CD ARG A 12 15.045 -24.003 -1.386 1.00 0.00 C ATOM 131 NE ARG A 12 15.162 -24.941 -2.499 1.00 0.00 N ATOM 132 CZ ARG A 12 14.171 -25.726 -2.905 1.00 0.00 C ATOM 133 NH1 ARG A 12 12.995 -25.686 -2.293 1.00 0.00 N ATOM 134 NH2 ARG A 12 14.354 -26.554 -3.926 1.00 0.00 N ATOM 0 H ARG A 12 16.774 -21.919 2.779 1.00 0.00 H new ATOM 0 HA ARG A 12 18.344 -22.217 0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 12 16.391 -23.723 1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.342 -22.457 0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 12 16.792 -22.772 -1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 12 17.109 -24.349 -0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.518 -24.483 -0.561 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.443 -23.148 -1.694 1.00 0.00 H new ATOM 0 HE ARG A 12 16.054 -24.996 -2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.850 -25.051 -1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.236 -26.290 -2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.257 -26.588 -4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.592 -27.157 -4.237 1.00 0.00 H new ATOM 148 N THR A 13 17.793 -20.119 -0.840 1.00 0.00 N ATOM 149 CA THR A 13 17.536 -18.855 -1.518 1.00 0.00 C ATOM 150 C THR A 13 16.301 -18.948 -2.406 1.00 0.00 C ATOM 151 O THR A 13 15.958 -20.023 -2.898 1.00 0.00 O ATOM 152 CB THR A 13 18.740 -18.423 -2.376 1.00 0.00 C ATOM 153 OG1 THR A 13 19.039 -19.434 -3.345 1.00 0.00 O ATOM 154 CG2 THR A 13 19.962 -18.171 -1.505 1.00 0.00 C ATOM 0 H THR A 13 18.599 -20.632 -1.196 1.00 0.00 H new ATOM 0 HA THR A 13 17.366 -18.109 -0.742 1.00 0.00 H new ATOM 0 HB THR A 13 18.480 -17.496 -2.887 1.00 0.00 H new ATOM 0 HG1 THR A 13 19.804 -19.151 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.800 -17.867 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 13 19.741 -17.381 -0.788 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.222 -19.084 -0.970 1.00 0.00 H new ATOM 162 N ALA A 14 15.636 -17.816 -2.609 1.00 0.00 N ATOM 163 CA ALA A 14 14.440 -17.770 -3.441 1.00 0.00 C ATOM 164 C ALA A 14 14.783 -17.378 -4.874 1.00 0.00 C ATOM 165 O ALA A 14 15.594 -16.481 -5.104 1.00 0.00 O ATOM 166 CB ALA A 14 13.426 -16.798 -2.855 1.00 0.00 C ATOM 0 H ALA A 14 15.905 -16.918 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 14 14.002 -18.768 -3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.538 -16.774 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.149 -17.122 -1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 14 13.864 -15.801 -2.806 1.00 0.00 H new ATOM 172 N GLN A 15 14.162 -18.057 -5.833 1.00 0.00 N ATOM 173 CA GLN A 15 14.404 -17.780 -7.244 1.00 0.00 C ATOM 174 C GLN A 15 13.102 -17.442 -7.963 1.00 0.00 C ATOM 175 O GLN A 15 12.811 -17.984 -9.029 1.00 0.00 O ATOM 176 CB GLN A 15 15.073 -18.981 -7.914 1.00 0.00 C ATOM 177 CG GLN A 15 16.550 -19.118 -7.583 1.00 0.00 C ATOM 178 CD GLN A 15 17.327 -19.840 -8.666 1.00 0.00 C ATOM 179 OE1 GLN A 15 16.943 -19.827 -9.836 1.00 0.00 O ATOM 180 NE2 GLN A 15 18.428 -20.476 -8.282 1.00 0.00 N ATOM 0 H GLN A 15 13.488 -18.802 -5.659 1.00 0.00 H new ATOM 0 HA GLN A 15 15.069 -16.919 -7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.555 -19.891 -7.610 1.00 0.00 H new ATOM 0 HB3 GLN A 15 14.958 -18.894 -8.994 1.00 0.00 H new ATOM 0 HG2 GLN A 15 16.978 -18.127 -7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 15 16.659 -19.657 -6.642 1.00 0.00 H new ATOM 0 HE21 GLN A 15 18.710 -20.461 -7.302 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.992 -20.979 -8.967 1.00 0.00 H new ATOM 189 N SER A 16 12.322 -16.542 -7.373 1.00 0.00 N ATOM 190 CA SER A 16 11.049 -16.134 -7.955 1.00 0.00 C ATOM 191 C SER A 16 10.463 -14.944 -7.201 1.00 0.00 C ATOM 192 O SER A 16 10.895 -14.621 -6.094 1.00 0.00 O ATOM 193 CB SER A 16 10.059 -17.301 -7.938 1.00 0.00 C ATOM 194 OG SER A 16 9.888 -17.805 -6.625 1.00 0.00 O ATOM 0 H SER A 16 12.550 -16.081 -6.492 1.00 0.00 H new ATOM 0 HA SER A 16 11.229 -15.834 -8.987 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.098 -16.972 -8.333 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.417 -18.096 -8.592 1.00 0.00 H new ATOM 0 HG SER A 16 9.970 -17.072 -5.980 1.00 0.00 H new ATOM 200 N THR A 17 9.476 -14.294 -7.810 1.00 0.00 N ATOM 201 CA THR A 17 8.831 -13.139 -7.198 1.00 0.00 C ATOM 202 C THR A 17 7.560 -13.546 -6.460 1.00 0.00 C ATOM 203 O THR A 17 6.824 -14.436 -6.886 1.00 0.00 O ATOM 204 CB THR A 17 8.480 -12.070 -8.250 1.00 0.00 C ATOM 205 OG1 THR A 17 7.933 -12.692 -9.418 1.00 0.00 O ATOM 206 CG2 THR A 17 9.710 -11.260 -8.629 1.00 0.00 C ATOM 0 H THR A 17 9.106 -14.548 -8.726 1.00 0.00 H new ATOM 0 HA THR A 17 9.542 -12.719 -6.487 1.00 0.00 H new ATOM 0 HB THR A 17 7.740 -11.396 -7.818 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.711 -12.005 -10.081 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.438 -10.511 -9.373 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.106 -10.764 -7.743 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.469 -11.924 -9.043 1.00 0.00 H new ATOM 214 N PRO A 18 7.294 -12.879 -5.327 1.00 0.00 N ATOM 215 CA PRO A 18 6.111 -13.154 -4.507 1.00 0.00 C ATOM 216 C PRO A 18 4.819 -12.711 -5.186 1.00 0.00 C ATOM 217 O PRO A 18 4.795 -11.711 -5.903 1.00 0.00 O ATOM 218 CB PRO A 18 6.359 -12.330 -3.240 1.00 0.00 C ATOM 219 CG PRO A 18 7.261 -11.228 -3.676 1.00 0.00 C ATOM 220 CD PRO A 18 8.128 -11.806 -4.760 1.00 0.00 C ATOM 0 HA PRO A 18 5.983 -14.220 -4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.426 -11.940 -2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.821 -12.934 -2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.688 -10.378 -4.047 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.865 -10.866 -2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.386 -11.058 -5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.065 -12.194 -4.361 1.00 0.00 H new ATOM 228 N SER A 19 3.747 -13.462 -4.954 1.00 0.00 N ATOM 229 CA SER A 19 2.452 -13.148 -5.546 1.00 0.00 C ATOM 230 C SER A 19 1.527 -12.503 -4.519 1.00 0.00 C ATOM 231 O SER A 19 1.100 -11.360 -4.683 1.00 0.00 O ATOM 232 CB SER A 19 1.804 -14.415 -6.108 1.00 0.00 C ATOM 233 OG SER A 19 2.433 -14.819 -7.312 1.00 0.00 O ATOM 0 H SER A 19 3.750 -14.292 -4.361 1.00 0.00 H new ATOM 0 HA SER A 19 2.614 -12.440 -6.359 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.869 -15.217 -5.373 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.744 -14.235 -6.290 1.00 0.00 H new ATOM 0 HG SER A 19 2.002 -15.632 -7.650 1.00 0.00 H new ATOM 239 N ALA A 20 1.221 -13.244 -3.460 1.00 0.00 N ATOM 240 CA ALA A 20 0.348 -12.745 -2.404 1.00 0.00 C ATOM 241 C ALA A 20 0.910 -11.470 -1.784 1.00 0.00 C ATOM 242 O ALA A 20 0.357 -10.381 -1.937 1.00 0.00 O ATOM 243 CB ALA A 20 0.149 -13.810 -1.336 1.00 0.00 C ATOM 0 H ALA A 20 1.565 -14.193 -3.310 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.618 -12.507 -2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.505 -13.424 -0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.304 -14.694 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.113 -14.076 -0.904 1.00 0.00 H new ATOM 249 N PRO A 21 2.035 -11.606 -1.067 1.00 0.00 N ATOM 250 CA PRO A 21 2.696 -10.475 -0.409 1.00 0.00 C ATOM 251 C PRO A 21 3.333 -9.515 -1.408 1.00 0.00 C ATOM 252 O PRO A 21 3.925 -9.924 -2.408 1.00 0.00 O ATOM 253 CB PRO A 21 3.772 -11.144 0.450 1.00 0.00 C ATOM 254 CG PRO A 21 4.052 -12.438 -0.232 1.00 0.00 C ATOM 255 CD PRO A 21 2.749 -12.875 -0.843 1.00 0.00 C ATOM 0 HA PRO A 21 1.993 -9.867 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.669 -10.527 0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.422 -11.302 1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.820 -12.318 -0.996 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.419 -13.181 0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.904 -13.419 -1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.194 -13.536 -0.177 1.00 0.00 H new ATOM 263 N PRO A 22 3.211 -8.208 -1.135 1.00 0.00 N ATOM 264 CA PRO A 22 2.509 -7.710 0.051 1.00 0.00 C ATOM 265 C PRO A 22 1.002 -7.933 -0.031 1.00 0.00 C ATOM 266 O PRO A 22 0.413 -7.854 -1.108 1.00 0.00 O ATOM 267 CB PRO A 22 2.828 -6.213 0.050 1.00 0.00 C ATOM 268 CG PRO A 22 3.111 -5.887 -1.376 1.00 0.00 C ATOM 269 CD PRO A 22 3.750 -7.115 -1.962 1.00 0.00 C ATOM 0 HA PRO A 22 2.824 -8.226 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.990 -5.629 0.431 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.686 -5.991 0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.194 -5.633 -1.908 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.775 -5.026 -1.455 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.490 -7.241 -3.013 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.838 -7.068 -1.906 1.00 0.00 H new ATOM 277 N GLN A 23 0.387 -8.212 1.114 1.00 0.00 N ATOM 278 CA GLN A 23 -1.051 -8.446 1.170 1.00 0.00 C ATOM 279 C GLN A 23 -1.694 -7.624 2.282 1.00 0.00 C ATOM 280 O GLN A 23 -1.008 -6.925 3.028 1.00 0.00 O ATOM 281 CB GLN A 23 -1.338 -9.933 1.388 1.00 0.00 C ATOM 282 CG GLN A 23 -0.311 -10.629 2.267 1.00 0.00 C ATOM 283 CD GLN A 23 -0.740 -12.026 2.671 1.00 0.00 C ATOM 284 OE1 GLN A 23 -1.932 -12.314 2.783 1.00 0.00 O ATOM 285 NE2 GLN A 23 0.232 -12.902 2.893 1.00 0.00 N ATOM 0 H GLN A 23 0.862 -8.281 2.014 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.482 -8.135 0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.324 -10.042 1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.374 -10.433 0.420 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.639 -10.684 1.735 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.141 -10.032 3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.207 -12.620 2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.004 -13.857 3.168 1.00 0.00 H new ATOM 294 N LYS A 24 -3.015 -7.713 2.388 1.00 0.00 N ATOM 295 CA LYS A 24 -3.753 -6.978 3.409 1.00 0.00 C ATOM 296 C LYS A 24 -3.191 -5.570 3.579 1.00 0.00 C ATOM 297 O LYS A 24 -3.053 -5.077 4.698 1.00 0.00 O ATOM 298 CB LYS A 24 -3.697 -7.725 4.744 1.00 0.00 C ATOM 299 CG LYS A 24 -3.873 -9.227 4.607 1.00 0.00 C ATOM 300 CD LYS A 24 -3.557 -9.946 5.908 1.00 0.00 C ATOM 301 CE LYS A 24 -4.008 -9.138 7.116 1.00 0.00 C ATOM 302 NZ LYS A 24 -4.074 -9.972 8.348 1.00 0.00 N ATOM 0 H LYS A 24 -3.598 -8.287 1.779 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.791 -6.899 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.740 -7.522 5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.473 -7.335 5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.897 -9.448 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.222 -9.600 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.048 -10.919 5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.485 -10.130 5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.319 -8.308 7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.988 -8.705 6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.385 -9.385 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.750 -10.749 8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.133 -10.365 8.552 1.00 0.00 H new ATOM 316 N VAL A 25 -2.869 -4.928 2.461 1.00 0.00 N ATOM 317 CA VAL A 25 -2.324 -3.575 2.486 1.00 0.00 C ATOM 318 C VAL A 25 -3.364 -2.573 2.974 1.00 0.00 C ATOM 319 O VAL A 25 -4.363 -2.322 2.300 1.00 0.00 O ATOM 320 CB VAL A 25 -1.826 -3.145 1.093 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.437 -1.674 1.096 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.657 -4.013 0.654 1.00 0.00 C ATOM 0 H VAL A 25 -2.976 -5.322 1.526 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.481 -3.585 3.177 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.638 -3.280 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.088 -1.388 0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.303 -1.069 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.641 -1.510 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.318 -3.695 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.160 -3.912 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.974 -5.055 0.610 1.00 0.00 H new ATOM 332 N MET A 26 -3.123 -2.003 4.150 1.00 0.00 N ATOM 333 CA MET A 26 -4.038 -1.026 4.727 1.00 0.00 C ATOM 334 C MET A 26 -3.369 0.339 4.852 1.00 0.00 C ATOM 335 O MET A 26 -2.260 0.452 5.376 1.00 0.00 O ATOM 336 CB MET A 26 -4.521 -1.497 6.101 1.00 0.00 C ATOM 337 CG MET A 26 -5.459 -2.692 6.038 1.00 0.00 C ATOM 338 SD MET A 26 -6.974 -2.338 5.127 1.00 0.00 S ATOM 339 CE MET A 26 -7.006 -3.712 3.978 1.00 0.00 C ATOM 0 H MET A 26 -2.302 -2.201 4.722 1.00 0.00 H new ATOM 0 HA MET A 26 -4.895 -0.931 4.060 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.656 -1.756 6.712 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.029 -0.672 6.601 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.944 -3.529 5.567 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.713 -3.003 7.051 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.039 -3.948 3.722 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.460 -3.443 3.074 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.539 -4.582 4.439 1.00 0.00 H new ATOM 349 N CYS A 27 -4.049 1.373 4.367 1.00 0.00 N ATOM 350 CA CYS A 27 -3.519 2.730 4.423 1.00 0.00 C ATOM 351 C CYS A 27 -4.381 3.614 5.318 1.00 0.00 C ATOM 352 O CYS A 27 -5.598 3.443 5.390 1.00 0.00 O ATOM 353 CB CYS A 27 -3.441 3.328 3.017 1.00 0.00 C ATOM 354 SG CYS A 27 -2.516 2.320 1.836 1.00 0.00 S ATOM 0 H CYS A 27 -4.968 1.297 3.931 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.516 2.685 4.847 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.453 3.474 2.639 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.978 4.313 3.078 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.073 2.403 0.664 1.00 0.00 H new ATOM 360 N VAL A 28 -3.742 4.559 6.001 1.00 0.00 N ATOM 361 CA VAL A 28 -4.451 5.470 6.892 1.00 0.00 C ATOM 362 C VAL A 28 -3.743 6.817 6.976 1.00 0.00 C ATOM 363 O VAL A 28 -2.524 6.882 7.130 1.00 0.00 O ATOM 364 CB VAL A 28 -4.579 4.881 8.310 1.00 0.00 C ATOM 365 CG1 VAL A 28 -5.476 3.652 8.298 1.00 0.00 C ATOM 366 CG2 VAL A 28 -3.207 4.543 8.873 1.00 0.00 C ATOM 0 H VAL A 28 -2.735 4.714 5.954 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.447 5.611 6.473 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.037 5.630 8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.555 3.249 9.308 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.467 3.929 7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.049 2.896 7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.317 4.128 9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.720 3.811 8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.600 5.447 8.919 1.00 0.00 H new ATOM 376 N SER A 29 -4.517 7.893 6.874 1.00 0.00 N ATOM 377 CA SER A 29 -3.965 9.241 6.935 1.00 0.00 C ATOM 378 C SER A 29 -3.510 9.578 8.352 1.00 0.00 C ATOM 379 O SER A 29 -4.290 9.504 9.300 1.00 0.00 O ATOM 380 CB SER A 29 -5.002 10.262 6.464 1.00 0.00 C ATOM 381 OG SER A 29 -4.443 11.562 6.395 1.00 0.00 O ATOM 0 H SER A 29 -5.529 7.857 6.749 1.00 0.00 H new ATOM 0 HA SER A 29 -3.099 9.282 6.274 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.382 9.974 5.484 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.851 10.264 7.147 1.00 0.00 H new ATOM 0 HG SER A 29 -4.770 12.099 7.146 1.00 0.00 H new ATOM 387 N MET A 30 -2.241 9.949 8.487 1.00 0.00 N ATOM 388 CA MET A 30 -1.681 10.298 9.787 1.00 0.00 C ATOM 389 C MET A 30 -2.205 11.650 10.259 1.00 0.00 C ATOM 390 O MET A 30 -2.357 11.884 11.457 1.00 0.00 O ATOM 391 CB MET A 30 -0.153 10.327 9.717 1.00 0.00 C ATOM 392 CG MET A 30 0.493 8.975 9.972 1.00 0.00 C ATOM 393 SD MET A 30 0.667 8.608 11.729 1.00 0.00 S ATOM 394 CE MET A 30 -0.643 7.408 11.956 1.00 0.00 C ATOM 0 H MET A 30 -1.581 10.016 7.712 1.00 0.00 H new ATOM 0 HA MET A 30 -1.990 9.537 10.504 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.151 10.686 8.734 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.222 11.043 10.448 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.105 8.196 9.500 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.476 8.952 9.501 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.435 6.806 12.840 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.593 7.927 12.085 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.699 6.760 11.081 1.00 0.00 H new ATOM 404 N GLY A 31 -2.481 12.538 9.308 1.00 0.00 N ATOM 405 CA GLY A 31 -2.985 13.856 9.647 1.00 0.00 C ATOM 406 C GLY A 31 -3.814 14.464 8.533 1.00 0.00 C ATOM 407 O GLY A 31 -4.913 13.994 8.240 1.00 0.00 O ATOM 0 H GLY A 31 -2.364 12.368 8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.590 13.789 10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.147 14.515 9.873 1.00 0.00 H new ATOM 411 N SER A 32 -3.287 15.514 7.911 1.00 0.00 N ATOM 412 CA SER A 32 -3.988 16.191 6.827 1.00 0.00 C ATOM 413 C SER A 32 -3.145 16.197 5.555 1.00 0.00 C ATOM 414 O SER A 32 -3.675 16.204 4.444 1.00 0.00 O ATOM 415 CB SER A 32 -4.332 17.626 7.231 1.00 0.00 C ATOM 416 OG SER A 32 -3.160 18.408 7.384 1.00 0.00 O ATOM 0 H SER A 32 -2.377 15.914 8.139 1.00 0.00 H new ATOM 0 HA SER A 32 -4.911 15.646 6.628 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.977 18.075 6.475 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.893 17.619 8.165 1.00 0.00 H new ATOM 0 HG SER A 32 -3.407 19.321 7.641 1.00 0.00 H new ATOM 422 N THR A 33 -1.826 16.194 5.727 1.00 0.00 N ATOM 423 CA THR A 33 -0.908 16.201 4.595 1.00 0.00 C ATOM 424 C THR A 33 0.083 15.046 4.684 1.00 0.00 C ATOM 425 O THR A 33 1.082 15.014 3.965 1.00 0.00 O ATOM 426 CB THR A 33 -0.128 17.526 4.511 1.00 0.00 C ATOM 427 OG1 THR A 33 0.751 17.649 5.635 1.00 0.00 O ATOM 428 CG2 THR A 33 -1.080 18.713 4.474 1.00 0.00 C ATOM 0 H THR A 33 -1.370 16.187 6.640 1.00 0.00 H new ATOM 0 HA THR A 33 -1.514 16.088 3.696 1.00 0.00 H new ATOM 0 HB THR A 33 0.457 17.520 3.591 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.245 18.493 5.573 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.506 19.638 4.415 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.729 18.632 3.602 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.688 18.720 5.379 1.00 0.00 H new ATOM 436 N THR A 34 -0.200 14.097 5.572 1.00 0.00 N ATOM 437 CA THR A 34 0.667 12.940 5.755 1.00 0.00 C ATOM 438 C THR A 34 -0.146 11.655 5.864 1.00 0.00 C ATOM 439 O THR A 34 -1.183 11.620 6.527 1.00 0.00 O ATOM 440 CB THR A 34 1.543 13.088 7.014 1.00 0.00 C ATOM 441 OG1 THR A 34 2.457 14.179 6.849 1.00 0.00 O ATOM 442 CG2 THR A 34 2.318 11.808 7.288 1.00 0.00 C ATOM 0 H THR A 34 -1.023 14.108 6.175 1.00 0.00 H new ATOM 0 HA THR A 34 1.311 12.886 4.877 1.00 0.00 H new ATOM 0 HB THR A 34 0.889 13.287 7.863 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.009 14.268 7.654 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.929 11.937 8.181 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.619 10.986 7.442 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.962 11.583 6.438 1.00 0.00 H new ATOM 450 N VAL A 35 0.332 10.601 5.211 1.00 0.00 N ATOM 451 CA VAL A 35 -0.351 9.312 5.237 1.00 0.00 C ATOM 452 C VAL A 35 0.611 8.189 5.607 1.00 0.00 C ATOM 453 O VAL A 35 1.773 8.193 5.200 1.00 0.00 O ATOM 454 CB VAL A 35 -0.997 8.993 3.876 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.628 7.609 3.896 1.00 0.00 C ATOM 456 CG2 VAL A 35 -2.027 10.052 3.514 1.00 0.00 C ATOM 0 H VAL A 35 1.189 10.614 4.658 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.132 9.381 5.994 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.218 9.000 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.080 7.401 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.862 6.863 4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.395 7.570 4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.473 9.811 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.805 10.079 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.542 11.026 3.456 1.00 0.00 H new ATOM 466 N ARG A 36 0.118 7.227 6.380 1.00 0.00 N ATOM 467 CA ARG A 36 0.934 6.096 6.806 1.00 0.00 C ATOM 468 C ARG A 36 0.331 4.779 6.325 1.00 0.00 C ATOM 469 O ARG A 36 -0.688 4.324 6.844 1.00 0.00 O ATOM 470 CB ARG A 36 1.068 6.081 8.330 1.00 0.00 C ATOM 471 CG ARG A 36 2.124 5.114 8.839 1.00 0.00 C ATOM 472 CD ARG A 36 1.888 4.749 10.297 1.00 0.00 C ATOM 473 NE ARG A 36 0.797 3.791 10.452 1.00 0.00 N ATOM 474 CZ ARG A 36 0.495 3.201 11.603 1.00 0.00 C ATOM 475 NH1 ARG A 36 1.199 3.469 12.694 1.00 0.00 N ATOM 476 NH2 ARG A 36 -0.513 2.340 11.664 1.00 0.00 N ATOM 0 H ARG A 36 -0.842 7.208 6.724 1.00 0.00 H new ATOM 0 HA ARG A 36 1.923 6.207 6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.311 7.086 8.675 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.105 5.818 8.768 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.115 4.210 8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.112 5.562 8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.802 4.329 10.718 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.661 5.652 10.864 1.00 0.00 H new ATOM 0 HE ARG A 36 0.236 3.562 9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.975 4.130 12.651 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.965 3.014 13.577 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.056 2.131 10.827 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.744 1.887 12.548 1.00 0.00 H new ATOM 490 N VAL A 37 0.968 4.171 5.329 1.00 0.00 N ATOM 491 CA VAL A 37 0.496 2.906 4.779 1.00 0.00 C ATOM 492 C VAL A 37 1.308 1.734 5.318 1.00 0.00 C ATOM 493 O VAL A 37 2.532 1.808 5.419 1.00 0.00 O ATOM 494 CB VAL A 37 0.569 2.902 3.240 1.00 0.00 C ATOM 495 CG1 VAL A 37 1.856 3.558 2.765 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.455 1.483 2.706 1.00 0.00 C ATOM 0 H VAL A 37 1.812 4.534 4.887 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.544 2.795 5.087 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.269 3.480 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.890 3.546 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.891 4.589 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.711 3.010 3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.508 1.499 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.272 0.879 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.497 1.053 3.016 1.00 0.00 H new ATOM 506 N SER A 38 0.617 0.653 5.664 1.00 0.00 N ATOM 507 CA SER A 38 1.274 -0.535 6.197 1.00 0.00 C ATOM 508 C SER A 38 0.783 -1.793 5.485 1.00 0.00 C ATOM 509 O SER A 38 -0.408 -1.938 5.209 1.00 0.00 O ATOM 510 CB SER A 38 1.018 -0.654 7.701 1.00 0.00 C ATOM 511 OG SER A 38 1.448 0.510 8.385 1.00 0.00 O ATOM 0 H SER A 38 -0.397 0.575 5.585 1.00 0.00 H new ATOM 0 HA SER A 38 2.346 -0.435 6.025 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.045 -0.813 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.542 -1.525 8.094 1.00 0.00 H new ATOM 0 HG SER A 38 1.272 0.410 9.344 1.00 0.00 H new ATOM 517 N TRP A 39 1.710 -2.698 5.192 1.00 0.00 N ATOM 518 CA TRP A 39 1.373 -3.943 4.512 1.00 0.00 C ATOM 519 C TRP A 39 1.920 -5.145 5.275 1.00 0.00 C ATOM 520 O TRP A 39 2.892 -5.029 6.021 1.00 0.00 O ATOM 521 CB TRP A 39 1.924 -3.935 3.085 1.00 0.00 C ATOM 522 CG TRP A 39 3.342 -3.458 2.999 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.462 -4.232 2.891 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.791 -2.099 3.016 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.581 -3.435 2.840 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.196 -2.123 2.914 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.144 -0.863 3.106 1.00 0.00 C ATOM 528 CZ2 TRP A 39 5.961 -0.960 2.900 1.00 0.00 C ATOM 529 CZ3 TRP A 39 3.905 0.290 3.092 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.301 0.236 2.989 1.00 0.00 C ATOM 0 H TRP A 39 2.700 -2.593 5.414 1.00 0.00 H new ATOM 0 HA TRP A 39 0.287 -4.024 4.473 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.861 -4.942 2.673 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.295 -3.297 2.464 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.468 -5.311 2.851 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.542 -3.767 2.760 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.068 -0.810 3.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.037 -1.000 2.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.415 1.250 3.162 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.867 1.156 2.980 1.00 0.00 H new ATOM 541 N VAL A 40 1.289 -6.299 5.082 1.00 0.00 N ATOM 542 CA VAL A 40 1.714 -7.523 5.752 1.00 0.00 C ATOM 543 C VAL A 40 3.204 -7.772 5.547 1.00 0.00 C ATOM 544 O VAL A 40 3.746 -7.590 4.456 1.00 0.00 O ATOM 545 CB VAL A 40 0.926 -8.744 5.242 1.00 0.00 C ATOM 546 CG1 VAL A 40 1.372 -10.007 5.964 1.00 0.00 C ATOM 547 CG2 VAL A 40 -0.569 -8.522 5.412 1.00 0.00 C ATOM 0 H VAL A 40 0.483 -6.412 4.468 1.00 0.00 H new ATOM 0 HA VAL A 40 1.514 -7.389 6.815 1.00 0.00 H new ATOM 0 HB VAL A 40 1.132 -8.870 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.804 -10.859 5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.434 -10.172 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.197 -9.895 7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.110 -9.395 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.797 -8.370 6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.873 -7.642 4.844 1.00 0.00 H new ATOM 557 N PRO A 41 3.886 -8.199 6.621 1.00 0.00 N ATOM 558 CA PRO A 41 5.323 -8.484 6.585 1.00 0.00 C ATOM 559 C PRO A 41 5.648 -9.726 5.763 1.00 0.00 C ATOM 560 O PRO A 41 4.786 -10.564 5.492 1.00 0.00 O ATOM 561 CB PRO A 41 5.678 -8.709 8.056 1.00 0.00 C ATOM 562 CG PRO A 41 4.404 -9.152 8.689 1.00 0.00 C ATOM 563 CD PRO A 41 3.305 -8.438 7.953 1.00 0.00 C ATOM 0 HA PRO A 41 5.886 -7.677 6.115 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.457 -9.463 8.164 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.053 -7.795 8.517 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.286 -10.233 8.613 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.389 -8.903 9.750 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.401 -9.044 7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.032 -7.505 8.446 1.00 0.00 H new ATOM 571 N PRO A 42 6.919 -9.852 5.355 1.00 0.00 N ATOM 572 CA PRO A 42 7.386 -10.990 4.558 1.00 0.00 C ATOM 573 C PRO A 42 7.413 -12.287 5.360 1.00 0.00 C ATOM 574 O PRO A 42 8.220 -12.464 6.273 1.00 0.00 O ATOM 575 CB PRO A 42 8.805 -10.582 4.154 1.00 0.00 C ATOM 576 CG PRO A 42 9.239 -9.625 5.210 1.00 0.00 C ATOM 577 CD PRO A 42 7.999 -8.892 5.640 1.00 0.00 C ATOM 0 HA PRO A 42 6.729 -11.192 3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 42 9.467 -11.447 4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.818 -10.117 3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.693 -10.151 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.988 -8.933 4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.034 -8.629 6.697 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.868 -7.963 5.084 1.00 0.00 H new ATOM 585 N PRO A 43 6.510 -13.216 5.014 1.00 0.00 N ATOM 586 CA PRO A 43 6.411 -14.514 5.689 1.00 0.00 C ATOM 587 C PRO A 43 7.602 -15.417 5.387 1.00 0.00 C ATOM 588 O PRO A 43 8.626 -14.961 4.880 1.00 0.00 O ATOM 589 CB PRO A 43 5.125 -15.115 5.116 1.00 0.00 C ATOM 590 CG PRO A 43 4.962 -14.462 3.787 1.00 0.00 C ATOM 591 CD PRO A 43 5.517 -13.073 3.936 1.00 0.00 C ATOM 0 HA PRO A 43 6.402 -14.409 6.774 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.203 -16.198 5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.271 -14.914 5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.495 -15.014 3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.913 -14.433 3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.975 -12.722 3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.739 -12.356 4.198 1.00 0.00 H new ATOM 599 N ALA A 44 7.460 -16.700 5.702 1.00 0.00 N ATOM 600 CA ALA A 44 8.523 -17.668 5.462 1.00 0.00 C ATOM 601 C ALA A 44 8.148 -18.629 4.339 1.00 0.00 C ATOM 602 O ALA A 44 8.875 -19.580 4.055 1.00 0.00 O ATOM 603 CB ALA A 44 8.834 -18.438 6.737 1.00 0.00 C ATOM 0 H ALA A 44 6.619 -17.093 6.124 1.00 0.00 H new ATOM 0 HA ALA A 44 9.415 -17.122 5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.630 -19.157 6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.155 -17.743 7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.941 -18.966 7.070 1.00 0.00 H new ATOM 609 N ASP A 45 7.009 -18.374 3.705 1.00 0.00 N ATOM 610 CA ASP A 45 6.537 -19.217 2.613 1.00 0.00 C ATOM 611 C ASP A 45 6.078 -18.368 1.431 1.00 0.00 C ATOM 612 O ASP A 45 6.769 -18.276 0.416 1.00 0.00 O ATOM 613 CB ASP A 45 5.391 -20.111 3.088 1.00 0.00 C ATOM 614 CG ASP A 45 5.788 -20.986 4.261 1.00 0.00 C ATOM 615 OD1 ASP A 45 6.521 -21.974 4.043 1.00 0.00 O ATOM 616 OD2 ASP A 45 5.368 -20.683 5.397 1.00 0.00 O ATOM 0 H ASP A 45 6.395 -17.590 3.928 1.00 0.00 H new ATOM 0 HA ASP A 45 7.366 -19.845 2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.543 -19.489 3.373 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.060 -20.742 2.263 1.00 0.00 H new ATOM 621 N SER A 46 4.909 -17.751 1.570 1.00 0.00 N ATOM 622 CA SER A 46 4.356 -16.914 0.512 1.00 0.00 C ATOM 623 C SER A 46 5.418 -15.971 -0.046 1.00 0.00 C ATOM 624 O SER A 46 5.344 -15.547 -1.200 1.00 0.00 O ATOM 625 CB SER A 46 3.169 -16.107 1.039 1.00 0.00 C ATOM 626 OG SER A 46 1.971 -16.862 0.977 1.00 0.00 O ATOM 0 H SER A 46 4.327 -17.815 2.405 1.00 0.00 H new ATOM 0 HA SER A 46 4.015 -17.566 -0.292 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.359 -15.805 2.069 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.058 -15.194 0.454 1.00 0.00 H new ATOM 0 HG SER A 46 1.227 -16.324 1.321 1.00 0.00 H new ATOM 632 N ARG A 47 6.407 -15.647 0.781 1.00 0.00 N ATOM 633 CA ARG A 47 7.484 -14.754 0.372 1.00 0.00 C ATOM 634 C ARG A 47 8.138 -15.246 -0.916 1.00 0.00 C ATOM 635 O ARG A 47 8.314 -14.482 -1.864 1.00 0.00 O ATOM 636 CB ARG A 47 8.533 -14.645 1.480 1.00 0.00 C ATOM 637 CG ARG A 47 9.769 -13.860 1.073 1.00 0.00 C ATOM 638 CD ARG A 47 10.376 -13.122 2.257 1.00 0.00 C ATOM 639 NE ARG A 47 11.824 -12.981 2.130 1.00 0.00 N ATOM 640 CZ ARG A 47 12.621 -12.651 3.140 1.00 0.00 C ATOM 641 NH1 ARG A 47 12.113 -12.430 4.345 1.00 0.00 N ATOM 642 NH2 ARG A 47 13.929 -12.542 2.946 1.00 0.00 N ATOM 0 H ARG A 47 6.484 -15.990 1.739 1.00 0.00 H new ATOM 0 HA ARG A 47 7.056 -13.769 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.081 -14.170 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.834 -15.648 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.509 -14.539 0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.507 -13.145 0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.922 -12.135 2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.143 -13.659 3.177 1.00 0.00 H new ATOM 0 HE ARG A 47 12.246 -13.145 1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.108 -12.513 4.498 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.727 -12.177 5.119 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.323 -12.712 2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.540 -12.289 3.722 1.00 0.00 H new ATOM 656 N ASN A 48 8.497 -16.525 -0.940 1.00 0.00 N ATOM 657 CA ASN A 48 9.133 -17.118 -2.111 1.00 0.00 C ATOM 658 C ASN A 48 10.021 -16.101 -2.822 1.00 0.00 C ATOM 659 O ASN A 48 10.138 -16.112 -4.046 1.00 0.00 O ATOM 660 CB ASN A 48 8.074 -17.651 -3.078 1.00 0.00 C ATOM 661 CG ASN A 48 7.294 -16.538 -3.751 1.00 0.00 C ATOM 662 OD1 ASN A 48 7.829 -15.461 -4.014 1.00 0.00 O ATOM 663 ND2 ASN A 48 6.022 -16.795 -4.033 1.00 0.00 N ATOM 0 H ASN A 48 8.359 -17.171 -0.163 1.00 0.00 H new ATOM 0 HA ASN A 48 9.757 -17.946 -1.774 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.556 -18.265 -3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.384 -18.299 -2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.447 -16.085 -4.486 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.620 -17.702 -3.797 1.00 0.00 H new ATOM 670 N GLY A 49 10.645 -15.222 -2.043 1.00 0.00 N ATOM 671 CA GLY A 49 11.514 -14.210 -2.615 1.00 0.00 C ATOM 672 C GLY A 49 12.233 -13.397 -1.557 1.00 0.00 C ATOM 673 O GLY A 49 11.639 -13.013 -0.549 1.00 0.00 O ATOM 0 H GLY A 49 10.564 -15.193 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.249 -14.690 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.924 -13.542 -3.243 1.00 0.00 H new ATOM 677 N VAL A 50 13.516 -13.135 -1.784 1.00 0.00 N ATOM 678 CA VAL A 50 14.317 -12.363 -0.842 1.00 0.00 C ATOM 679 C VAL A 50 14.019 -10.872 -0.960 1.00 0.00 C ATOM 680 O VAL A 50 14.536 -10.195 -1.848 1.00 0.00 O ATOM 681 CB VAL A 50 15.823 -12.594 -1.065 1.00 0.00 C ATOM 682 CG1 VAL A 50 16.192 -12.348 -2.520 1.00 0.00 C ATOM 683 CG2 VAL A 50 16.641 -11.704 -0.141 1.00 0.00 C ATOM 0 H VAL A 50 14.023 -13.446 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 50 14.049 -12.706 0.157 1.00 0.00 H new ATOM 0 HB VAL A 50 16.052 -13.633 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 50 17.260 -12.516 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.632 -13.031 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.949 -11.320 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.703 -11.880 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 50 16.409 -10.658 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 50 16.397 -11.935 0.896 1.00 0.00 H new ATOM 693 N ILE A 51 13.184 -10.368 -0.058 1.00 0.00 N ATOM 694 CA ILE A 51 12.819 -8.957 -0.060 1.00 0.00 C ATOM 695 C ILE A 51 14.055 -8.070 -0.164 1.00 0.00 C ATOM 696 O ILE A 51 14.859 -7.995 0.766 1.00 0.00 O ATOM 697 CB ILE A 51 12.033 -8.577 1.209 1.00 0.00 C ATOM 698 CG1 ILE A 51 10.895 -9.572 1.447 1.00 0.00 C ATOM 699 CG2 ILE A 51 11.489 -7.161 1.090 1.00 0.00 C ATOM 700 CD1 ILE A 51 10.212 -10.025 0.176 1.00 0.00 C ATOM 0 H ILE A 51 12.747 -10.916 0.684 1.00 0.00 H new ATOM 0 HA ILE A 51 12.185 -8.796 -0.932 1.00 0.00 H new ATOM 0 HB ILE A 51 12.709 -8.616 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.289 -10.444 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.155 -9.115 2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.936 -6.907 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.316 -6.463 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.824 -7.098 0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.416 -10.729 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.788 -9.162 -0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.939 -10.512 -0.474 1.00 0.00 H new ATOM 712 N THR A 52 14.200 -7.397 -1.301 1.00 0.00 N ATOM 713 CA THR A 52 15.337 -6.514 -1.527 1.00 0.00 C ATOM 714 C THR A 52 15.003 -5.078 -1.139 1.00 0.00 C ATOM 715 O THR A 52 15.788 -4.409 -0.467 1.00 0.00 O ATOM 716 CB THR A 52 15.787 -6.543 -3.000 1.00 0.00 C ATOM 717 OG1 THR A 52 14.709 -6.138 -3.850 1.00 0.00 O ATOM 718 CG2 THR A 52 16.255 -7.936 -3.394 1.00 0.00 C ATOM 0 H THR A 52 13.544 -7.447 -2.080 1.00 0.00 H new ATOM 0 HA THR A 52 16.150 -6.879 -0.899 1.00 0.00 H new ATOM 0 HB THR A 52 16.620 -5.850 -3.117 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.856 -6.299 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 52 16.568 -7.933 -4.438 1.00 0.00 H new ATOM 0 HG22 THR A 52 17.095 -8.229 -2.764 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.438 -8.645 -3.262 1.00 0.00 H new ATOM 726 N GLN A 53 13.834 -4.611 -1.565 1.00 0.00 N ATOM 727 CA GLN A 53 13.398 -3.253 -1.260 1.00 0.00 C ATOM 728 C GLN A 53 11.896 -3.102 -1.480 1.00 0.00 C ATOM 729 O GLN A 53 11.260 -3.957 -2.097 1.00 0.00 O ATOM 730 CB GLN A 53 14.156 -2.245 -2.126 1.00 0.00 C ATOM 731 CG GLN A 53 14.420 -2.735 -3.540 1.00 0.00 C ATOM 732 CD GLN A 53 14.783 -1.610 -4.489 1.00 0.00 C ATOM 733 OE1 GLN A 53 15.803 -1.666 -5.176 1.00 0.00 O ATOM 734 NE2 GLN A 53 13.947 -0.579 -4.533 1.00 0.00 N ATOM 0 H GLN A 53 13.172 -5.152 -2.122 1.00 0.00 H new ATOM 0 HA GLN A 53 13.615 -3.055 -0.210 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.586 -1.317 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.107 -2.011 -1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.229 -3.465 -3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.534 -3.249 -3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.113 -0.574 -3.946 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.139 0.207 -5.154 1.00 0.00 H new ATOM 743 N TYR A 54 11.336 -2.010 -0.972 1.00 0.00 N ATOM 744 CA TYR A 54 9.908 -1.748 -1.110 1.00 0.00 C ATOM 745 C TYR A 54 9.664 -0.425 -1.831 1.00 0.00 C ATOM 746 O TYR A 54 10.397 0.545 -1.636 1.00 0.00 O ATOM 747 CB TYR A 54 9.238 -1.724 0.264 1.00 0.00 C ATOM 748 CG TYR A 54 8.821 -3.091 0.759 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.678 -3.710 0.267 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.569 -3.763 1.717 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.293 -4.958 0.716 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.192 -5.012 2.171 1.00 0.00 C ATOM 753 CZ TYR A 54 8.053 -5.605 1.668 1.00 0.00 C ATOM 754 OH TYR A 54 7.674 -6.849 2.118 1.00 0.00 O ATOM 0 H TYR A 54 11.849 -1.292 -0.461 1.00 0.00 H new ATOM 0 HA TYR A 54 9.473 -2.551 -1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.924 -1.279 0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.360 -1.080 0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.081 -3.207 -0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.461 -3.301 2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.402 -5.425 0.324 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.786 -5.521 2.916 1.00 0.00 H new ATOM 0 HH TYR A 54 8.318 -7.165 2.786 1.00 0.00 H new ATOM 764 N SER A 55 8.629 -0.395 -2.663 1.00 0.00 N ATOM 765 CA SER A 55 8.289 0.806 -3.416 1.00 0.00 C ATOM 766 C SER A 55 6.865 1.258 -3.104 1.00 0.00 C ATOM 767 O SER A 55 5.977 0.437 -2.873 1.00 0.00 O ATOM 768 CB SER A 55 8.437 0.552 -4.918 1.00 0.00 C ATOM 769 OG SER A 55 8.793 1.740 -5.603 1.00 0.00 O ATOM 0 H SER A 55 8.011 -1.189 -2.833 1.00 0.00 H new ATOM 0 HA SER A 55 8.977 1.597 -3.119 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.197 -0.211 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.500 0.164 -5.319 1.00 0.00 H new ATOM 0 HG SER A 55 8.883 1.551 -6.560 1.00 0.00 H new ATOM 775 N VAL A 56 6.655 2.571 -3.099 1.00 0.00 N ATOM 776 CA VAL A 56 5.341 3.134 -2.816 1.00 0.00 C ATOM 777 C VAL A 56 5.028 4.296 -3.751 1.00 0.00 C ATOM 778 O VAL A 56 5.873 5.159 -3.990 1.00 0.00 O ATOM 779 CB VAL A 56 5.240 3.621 -1.358 1.00 0.00 C ATOM 780 CG1 VAL A 56 3.822 4.069 -1.041 1.00 0.00 C ATOM 781 CG2 VAL A 56 5.690 2.529 -0.400 1.00 0.00 C ATOM 0 H VAL A 56 7.379 3.264 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 56 4.615 2.337 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 56 5.902 4.478 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.771 4.409 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.541 4.886 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.136 3.234 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.612 2.890 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.056 1.651 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.725 2.262 -0.613 1.00 0.00 H new ATOM 791 N ALA A 57 3.808 4.313 -4.278 1.00 0.00 N ATOM 792 CA ALA A 57 3.382 5.371 -5.185 1.00 0.00 C ATOM 793 C ALA A 57 2.016 5.920 -4.786 1.00 0.00 C ATOM 794 O ALA A 57 1.104 5.162 -4.454 1.00 0.00 O ATOM 795 CB ALA A 57 3.349 4.857 -6.617 1.00 0.00 C ATOM 0 H ALA A 57 3.097 3.605 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 57 4.104 6.185 -5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.029 5.658 -7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.345 4.520 -6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.650 4.024 -6.689 1.00 0.00 H new ATOM 801 N TYR A 58 1.881 7.241 -4.821 1.00 0.00 N ATOM 802 CA TYR A 58 0.627 7.891 -4.460 1.00 0.00 C ATOM 803 C TYR A 58 0.136 8.793 -5.588 1.00 0.00 C ATOM 804 O TYR A 58 0.933 9.412 -6.293 1.00 0.00 O ATOM 805 CB TYR A 58 0.802 8.708 -3.179 1.00 0.00 C ATOM 806 CG TYR A 58 2.011 9.615 -3.199 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.286 9.111 -2.974 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.879 10.976 -3.443 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.394 9.936 -2.991 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.981 11.809 -3.464 1.00 0.00 C ATOM 811 CZ TYR A 58 4.236 11.284 -3.237 1.00 0.00 C ATOM 812 OH TYR A 58 5.336 12.111 -3.255 1.00 0.00 O ATOM 0 H TYR A 58 2.625 7.883 -5.096 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.119 7.115 -4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.091 9.311 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.883 8.027 -2.332 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.413 8.056 -2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.897 11.390 -3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.378 9.528 -2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.860 12.865 -3.657 1.00 0.00 H new ATOM 0 HH TYR A 58 5.052 13.030 -3.443 1.00 0.00 H new ATOM 822 N GLU A 59 -1.181 8.862 -5.752 1.00 0.00 N ATOM 823 CA GLU A 59 -1.779 9.688 -6.795 1.00 0.00 C ATOM 824 C GLU A 59 -3.164 10.173 -6.377 1.00 0.00 C ATOM 825 O GLU A 59 -4.014 9.381 -5.971 1.00 0.00 O ATOM 826 CB GLU A 59 -1.874 8.904 -8.105 1.00 0.00 C ATOM 827 CG GLU A 59 -2.275 9.757 -9.297 1.00 0.00 C ATOM 828 CD GLU A 59 -2.923 8.946 -10.403 1.00 0.00 C ATOM 829 OE1 GLU A 59 -2.355 7.901 -10.783 1.00 0.00 O ATOM 830 OE2 GLU A 59 -3.997 9.358 -10.888 1.00 0.00 O ATOM 0 H GLU A 59 -1.854 8.356 -5.176 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.139 10.557 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.910 8.438 -8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.599 8.099 -7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.966 10.533 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.393 10.262 -9.691 1.00 0.00 H new ATOM 837 N ALA A 60 -3.383 11.480 -6.481 1.00 0.00 N ATOM 838 CA ALA A 60 -4.664 12.071 -6.116 1.00 0.00 C ATOM 839 C ALA A 60 -5.731 11.755 -7.158 1.00 0.00 C ATOM 840 O ALA A 60 -5.587 12.098 -8.332 1.00 0.00 O ATOM 841 CB ALA A 60 -4.521 13.576 -5.943 1.00 0.00 C ATOM 0 H ALA A 60 -2.690 12.149 -6.815 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.980 11.636 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.486 14.004 -5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.796 13.785 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.179 14.019 -6.878 1.00 0.00 H new ATOM 847 N VAL A 61 -6.802 11.099 -6.723 1.00 0.00 N ATOM 848 CA VAL A 61 -7.894 10.737 -7.618 1.00 0.00 C ATOM 849 C VAL A 61 -8.918 11.862 -7.719 1.00 0.00 C ATOM 850 O VAL A 61 -9.495 12.097 -8.781 1.00 0.00 O ATOM 851 CB VAL A 61 -8.603 9.453 -7.149 1.00 0.00 C ATOM 852 CG1 VAL A 61 -9.197 9.647 -5.763 1.00 0.00 C ATOM 853 CG2 VAL A 61 -9.677 9.043 -8.146 1.00 0.00 C ATOM 0 H VAL A 61 -6.937 10.807 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.453 10.561 -8.599 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.866 8.652 -7.093 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.694 8.729 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.402 9.890 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.921 10.461 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.168 8.134 -7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.414 9.841 -8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.220 8.860 -9.118 1.00 0.00 H new ATOM 863 N ASP A 62 -9.138 12.555 -6.607 1.00 0.00 N ATOM 864 CA ASP A 62 -10.092 13.658 -6.570 1.00 0.00 C ATOM 865 C ASP A 62 -9.373 14.993 -6.410 1.00 0.00 C ATOM 866 O ASP A 62 -9.986 16.004 -6.070 1.00 0.00 O ATOM 867 CB ASP A 62 -11.087 13.460 -5.425 1.00 0.00 C ATOM 868 CG ASP A 62 -12.439 14.081 -5.720 1.00 0.00 C ATOM 869 OD1 ASP A 62 -13.023 13.757 -6.775 1.00 0.00 O ATOM 870 OD2 ASP A 62 -12.912 14.892 -4.896 1.00 0.00 O ATOM 0 H ASP A 62 -8.669 12.373 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.634 13.669 -7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.213 12.394 -5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.680 13.898 -4.514 1.00 0.00 H new ATOM 875 N GLY A 63 -8.066 14.989 -6.656 1.00 0.00 N ATOM 876 CA GLY A 63 -7.284 16.206 -6.533 1.00 0.00 C ATOM 877 C GLY A 63 -7.159 16.950 -7.847 1.00 0.00 C ATOM 878 O GLY A 63 -7.708 16.525 -8.863 1.00 0.00 O ATOM 0 H GLY A 63 -7.535 14.165 -6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.747 16.858 -5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.289 15.959 -6.163 1.00 0.00 H new ATOM 882 N GLU A 64 -6.437 18.066 -7.827 1.00 0.00 N ATOM 883 CA GLU A 64 -6.245 18.873 -9.027 1.00 0.00 C ATOM 884 C GLU A 64 -5.272 18.195 -9.988 1.00 0.00 C ATOM 885 O GLU A 64 -5.529 18.107 -11.189 1.00 0.00 O ATOM 886 CB GLU A 64 -5.727 20.264 -8.656 1.00 0.00 C ATOM 887 CG GLU A 64 -6.748 21.119 -7.926 1.00 0.00 C ATOM 888 CD GLU A 64 -6.301 22.560 -7.773 1.00 0.00 C ATOM 889 OE1 GLU A 64 -6.302 23.293 -8.784 1.00 0.00 O ATOM 890 OE2 GLU A 64 -5.949 22.954 -6.641 1.00 0.00 O ATOM 0 H GLU A 64 -5.976 18.432 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.210 18.974 -9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.841 20.157 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.416 20.781 -9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.693 21.092 -8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.934 20.694 -6.940 1.00 0.00 H new ATOM 897 N ASP A 65 -4.155 17.719 -9.451 1.00 0.00 N ATOM 898 CA ASP A 65 -3.143 17.049 -10.259 1.00 0.00 C ATOM 899 C ASP A 65 -3.186 15.539 -10.042 1.00 0.00 C ATOM 900 O ASP A 65 -3.068 15.061 -8.913 1.00 0.00 O ATOM 901 CB ASP A 65 -1.751 17.586 -9.921 1.00 0.00 C ATOM 902 CG ASP A 65 -0.678 17.030 -10.836 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.910 15.965 -11.445 1.00 0.00 O ATOM 904 OD2 ASP A 65 0.394 17.661 -10.944 1.00 0.00 O ATOM 0 H ASP A 65 -3.927 17.785 -8.459 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.358 17.254 -11.308 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.757 18.674 -9.992 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.509 17.336 -8.888 1.00 0.00 H new ATOM 909 N ARG A 66 -3.355 14.795 -11.129 1.00 0.00 N ATOM 910 CA ARG A 66 -3.416 13.340 -11.057 1.00 0.00 C ATOM 911 C ARG A 66 -2.030 12.728 -11.243 1.00 0.00 C ATOM 912 O ARG A 66 -1.898 11.590 -11.690 1.00 0.00 O ATOM 913 CB ARG A 66 -4.372 12.795 -12.119 1.00 0.00 C ATOM 914 CG ARG A 66 -5.826 12.774 -11.677 1.00 0.00 C ATOM 915 CD ARG A 66 -6.172 11.476 -10.963 1.00 0.00 C ATOM 916 NE ARG A 66 -6.570 10.427 -11.897 1.00 0.00 N ATOM 917 CZ ARG A 66 -6.692 9.148 -11.557 1.00 0.00 C ATOM 918 NH1 ARG A 66 -6.450 8.764 -10.312 1.00 0.00 N ATOM 919 NH2 ARG A 66 -7.059 8.252 -12.464 1.00 0.00 N ATOM 0 H ARG A 66 -3.452 15.175 -12.070 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.786 13.065 -10.069 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.284 13.401 -13.020 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.067 11.783 -12.385 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.018 13.618 -11.014 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.473 12.897 -12.545 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.311 11.139 -10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.980 11.656 -10.255 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.765 10.690 -12.863 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.169 9.451 -9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.544 7.782 -10.054 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.248 8.545 -13.423 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.152 7.271 -12.203 1.00 0.00 H new ATOM 933 N GLY A 67 -1.000 13.493 -10.896 1.00 0.00 N ATOM 934 CA GLY A 67 0.362 13.010 -11.032 1.00 0.00 C ATOM 935 C GLY A 67 0.724 11.990 -9.970 1.00 0.00 C ATOM 936 O GLY A 67 0.748 12.305 -8.780 1.00 0.00 O ATOM 0 H GLY A 67 -1.084 14.439 -10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.489 12.564 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.051 13.853 -10.972 1.00 0.00 H new ATOM 940 N ARG A 68 1.005 10.765 -10.400 1.00 0.00 N ATOM 941 CA ARG A 68 1.365 9.695 -9.477 1.00 0.00 C ATOM 942 C ARG A 68 2.845 9.768 -9.111 1.00 0.00 C ATOM 943 O ARG A 68 3.715 9.661 -9.975 1.00 0.00 O ATOM 944 CB ARG A 68 1.048 8.332 -10.095 1.00 0.00 C ATOM 945 CG ARG A 68 1.576 7.159 -9.285 1.00 0.00 C ATOM 946 CD ARG A 68 1.871 5.958 -10.170 1.00 0.00 C ATOM 947 NE ARG A 68 0.649 5.296 -10.620 1.00 0.00 N ATOM 948 CZ ARG A 68 0.641 4.205 -11.377 1.00 0.00 C ATOM 949 NH1 ARG A 68 1.783 3.655 -11.766 1.00 0.00 N ATOM 950 NH2 ARG A 68 -0.512 3.660 -11.746 1.00 0.00 N ATOM 0 H ARG A 68 0.990 10.488 -11.382 1.00 0.00 H new ATOM 0 HA ARG A 68 0.777 9.820 -8.568 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.032 8.233 -10.201 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.472 8.290 -11.098 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.484 7.457 -8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.845 6.882 -8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.449 6.279 -11.036 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.488 5.246 -9.621 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.247 5.693 -10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.671 4.070 -11.484 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.773 2.817 -12.347 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.393 4.079 -11.448 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.517 2.822 -12.327 1.00 0.00 H new ATOM 964 N HIS A 69 3.122 9.951 -7.824 1.00 0.00 N ATOM 965 CA HIS A 69 4.496 10.038 -7.343 1.00 0.00 C ATOM 966 C HIS A 69 5.008 8.668 -6.910 1.00 0.00 C ATOM 967 O HIS A 69 4.225 7.752 -6.658 1.00 0.00 O ATOM 968 CB HIS A 69 4.589 11.022 -6.176 1.00 0.00 C ATOM 969 CG HIS A 69 4.699 12.452 -6.606 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.813 13.228 -6.364 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.825 13.247 -7.267 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.620 14.438 -6.856 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.421 14.476 -7.410 1.00 0.00 N ATOM 0 H HIS A 69 2.414 10.042 -7.096 1.00 0.00 H new ATOM 0 HA HIS A 69 5.119 10.397 -8.162 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.708 10.908 -5.544 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.455 10.767 -5.565 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.842 12.967 -7.617 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.323 15.257 -6.813 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.006 15.286 -7.869 1.00 0.00 H new ATOM 982 N VAL A 70 6.328 8.534 -6.827 1.00 0.00 N ATOM 983 CA VAL A 70 6.945 7.275 -6.424 1.00 0.00 C ATOM 984 C VAL A 70 8.037 7.506 -5.386 1.00 0.00 C ATOM 985 O VAL A 70 8.797 8.470 -5.472 1.00 0.00 O ATOM 986 CB VAL A 70 7.549 6.535 -7.632 1.00 0.00 C ATOM 987 CG1 VAL A 70 8.163 5.213 -7.196 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.491 6.313 -8.703 1.00 0.00 C ATOM 0 H VAL A 70 6.991 9.281 -7.033 1.00 0.00 H new ATOM 0 HA VAL A 70 6.157 6.661 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 70 8.340 7.153 -8.057 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.585 4.704 -8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.951 5.401 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.394 4.586 -6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.935 5.789 -9.550 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.677 5.715 -8.292 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.102 7.276 -9.035 1.00 0.00 H new ATOM 998 N VAL A 71 8.110 6.613 -4.404 1.00 0.00 N ATOM 999 CA VAL A 71 9.110 6.718 -3.348 1.00 0.00 C ATOM 1000 C VAL A 71 10.253 5.735 -3.575 1.00 0.00 C ATOM 1001 O VAL A 71 10.027 4.556 -3.851 1.00 0.00 O ATOM 1002 CB VAL A 71 8.492 6.458 -1.961 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.549 6.582 -0.874 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.338 7.415 -1.705 1.00 0.00 C ATOM 0 H VAL A 71 7.489 5.809 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 71 9.498 7.736 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 71 8.102 5.440 -1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.094 6.395 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.340 5.853 -1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.971 7.587 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.913 7.217 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.701 8.442 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.571 7.272 -2.467 1.00 0.00 H new ATOM 1014 N ASP A 72 11.481 6.227 -3.456 1.00 0.00 N ATOM 1015 CA ASP A 72 12.662 5.391 -3.646 1.00 0.00 C ATOM 1016 C ASP A 72 13.553 5.420 -2.409 1.00 0.00 C ATOM 1017 O ASP A 72 13.594 6.412 -1.683 1.00 0.00 O ATOM 1018 CB ASP A 72 13.451 5.858 -4.870 1.00 0.00 C ATOM 1019 CG ASP A 72 13.882 7.308 -4.762 1.00 0.00 C ATOM 1020 OD1 ASP A 72 14.354 7.707 -3.677 1.00 0.00 O ATOM 1021 OD2 ASP A 72 13.747 8.044 -5.762 1.00 0.00 O ATOM 0 H ASP A 72 11.685 7.200 -3.229 1.00 0.00 H new ATOM 0 HA ASP A 72 12.329 4.366 -3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.332 5.228 -4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.840 5.729 -5.763 1.00 0.00 H new ATOM 1026 N GLY A 73 14.266 4.322 -2.173 1.00 0.00 N ATOM 1027 CA GLY A 73 15.146 4.241 -1.022 1.00 0.00 C ATOM 1028 C GLY A 73 14.405 3.877 0.249 1.00 0.00 C ATOM 1029 O GLY A 73 14.511 4.574 1.259 1.00 0.00 O ATOM 0 H GLY A 73 14.249 3.487 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.921 3.499 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.649 5.198 -0.885 1.00 0.00 H new ATOM 1033 N ILE A 74 13.652 2.783 0.200 1.00 0.00 N ATOM 1034 CA ILE A 74 12.891 2.328 1.357 1.00 0.00 C ATOM 1035 C ILE A 74 13.476 1.041 1.928 1.00 0.00 C ATOM 1036 O ILE A 74 13.633 0.049 1.217 1.00 0.00 O ATOM 1037 CB ILE A 74 11.411 2.092 1.000 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.750 3.406 0.578 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.674 1.476 2.180 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.372 3.225 -0.018 1.00 0.00 C ATOM 0 H ILE A 74 13.553 2.196 -0.628 1.00 0.00 H new ATOM 0 HA ILE A 74 12.954 3.117 2.107 1.00 0.00 H new ATOM 0 HB ILE A 74 11.360 1.397 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.678 4.062 1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.389 3.907 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.630 1.315 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.134 0.522 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.730 2.149 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.964 4.197 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.439 2.595 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.718 2.752 0.715 1.00 0.00 H new ATOM 1052 N SER A 75 13.795 1.064 3.219 1.00 0.00 N ATOM 1053 CA SER A 75 14.364 -0.101 3.886 1.00 0.00 C ATOM 1054 C SER A 75 13.454 -1.315 3.731 1.00 0.00 C ATOM 1055 O SER A 75 12.255 -1.245 4.004 1.00 0.00 O ATOM 1056 CB SER A 75 14.591 0.195 5.370 1.00 0.00 C ATOM 1057 OG SER A 75 15.690 -0.543 5.875 1.00 0.00 O ATOM 0 H SER A 75 13.669 1.876 3.823 1.00 0.00 H new ATOM 0 HA SER A 75 15.322 -0.325 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.771 1.261 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.692 -0.053 5.935 1.00 0.00 H new ATOM 0 HG SER A 75 15.815 -0.335 6.824 1.00 0.00 H new ATOM 1063 N ARG A 76 14.032 -2.428 3.292 1.00 0.00 N ATOM 1064 CA ARG A 76 13.273 -3.658 3.099 1.00 0.00 C ATOM 1065 C ARG A 76 12.714 -4.166 4.425 1.00 0.00 C ATOM 1066 O ARG A 76 11.858 -5.049 4.451 1.00 0.00 O ATOM 1067 CB ARG A 76 14.155 -4.732 2.460 1.00 0.00 C ATOM 1068 CG ARG A 76 15.431 -5.013 3.237 1.00 0.00 C ATOM 1069 CD ARG A 76 16.268 -6.089 2.564 1.00 0.00 C ATOM 1070 NE ARG A 76 17.556 -6.276 3.226 1.00 0.00 N ATOM 1071 CZ ARG A 76 18.354 -7.315 3.004 1.00 0.00 C ATOM 1072 NH1 ARG A 76 17.997 -8.255 2.139 1.00 0.00 N ATOM 1073 NH2 ARG A 76 19.511 -7.414 3.646 1.00 0.00 N ATOM 0 H ARG A 76 15.023 -2.504 3.063 1.00 0.00 H new ATOM 0 HA ARG A 76 12.439 -3.439 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.582 -5.655 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.416 -4.421 1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.015 -4.097 3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.180 -5.327 4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.719 -7.030 2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.433 -5.820 1.521 1.00 0.00 H new ATOM 0 HE ARG A 76 17.860 -5.570 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.109 -8.181 1.643 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.611 -9.052 1.970 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.789 -6.692 4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.123 -8.212 3.475 1.00 0.00 H new ATOM 1087 N GLU A 77 13.206 -3.602 5.524 1.00 0.00 N ATOM 1088 CA GLU A 77 12.757 -3.999 6.853 1.00 0.00 C ATOM 1089 C GLU A 77 11.584 -3.136 7.311 1.00 0.00 C ATOM 1090 O GLU A 77 11.126 -3.244 8.449 1.00 0.00 O ATOM 1091 CB GLU A 77 13.906 -3.891 7.857 1.00 0.00 C ATOM 1092 CG GLU A 77 14.935 -5.002 7.725 1.00 0.00 C ATOM 1093 CD GLU A 77 14.305 -6.381 7.701 1.00 0.00 C ATOM 1094 OE1 GLU A 77 13.964 -6.896 8.786 1.00 0.00 O ATOM 1095 OE2 GLU A 77 14.154 -6.945 6.597 1.00 0.00 O ATOM 0 H GLU A 77 13.915 -2.869 5.520 1.00 0.00 H new ATOM 0 HA GLU A 77 12.425 -5.036 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.403 -2.930 7.726 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.497 -3.904 8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.510 -4.853 6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.638 -4.942 8.556 1.00 0.00 H new ATOM 1102 N HIS A 78 11.103 -2.279 6.416 1.00 0.00 N ATOM 1103 CA HIS A 78 9.984 -1.397 6.727 1.00 0.00 C ATOM 1104 C HIS A 78 8.758 -1.760 5.895 1.00 0.00 C ATOM 1105 O HIS A 78 8.700 -1.474 4.699 1.00 0.00 O ATOM 1106 CB HIS A 78 10.371 0.061 6.477 1.00 0.00 C ATOM 1107 CG HIS A 78 10.965 0.737 7.674 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.289 0.888 8.866 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.181 1.303 7.858 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.063 1.519 9.732 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.217 1.782 9.145 1.00 0.00 N ATOM 0 H HIS A 78 11.471 -2.177 5.470 1.00 0.00 H new ATOM 0 HA HIS A 78 9.736 -1.524 7.781 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.085 0.103 5.655 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.487 0.614 6.159 1.00 0.00 H new ATOM 0 HD2 HIS A 78 12.975 1.366 7.129 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.797 1.776 10.747 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.006 2.262 9.577 1.00 0.00 H new ATOM 1120 N SER A 79 7.780 -2.393 6.536 1.00 0.00 N ATOM 1121 CA SER A 79 6.557 -2.800 5.854 1.00 0.00 C ATOM 1122 C SER A 79 5.536 -1.665 5.845 1.00 0.00 C ATOM 1123 O SER A 79 4.350 -1.885 5.602 1.00 0.00 O ATOM 1124 CB SER A 79 5.958 -4.035 6.529 1.00 0.00 C ATOM 1125 OG SER A 79 5.464 -3.721 7.820 1.00 0.00 O ATOM 0 H SER A 79 7.811 -2.635 7.526 1.00 0.00 H new ATOM 0 HA SER A 79 6.810 -3.046 4.823 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.151 -4.434 5.914 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.716 -4.815 6.606 1.00 0.00 H new ATOM 0 HG SER A 79 5.085 -4.526 8.230 1.00 0.00 H new ATOM 1131 N SER A 80 6.008 -0.452 6.113 1.00 0.00 N ATOM 1132 CA SER A 80 5.137 0.718 6.141 1.00 0.00 C ATOM 1133 C SER A 80 5.897 1.971 5.718 1.00 0.00 C ATOM 1134 O SER A 80 7.126 2.014 5.775 1.00 0.00 O ATOM 1135 CB SER A 80 4.551 0.911 7.540 1.00 0.00 C ATOM 1136 OG SER A 80 5.565 0.864 8.529 1.00 0.00 O ATOM 0 H SER A 80 6.988 -0.253 6.314 1.00 0.00 H new ATOM 0 HA SER A 80 4.324 0.552 5.435 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.033 1.868 7.592 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.810 0.136 7.737 1.00 0.00 H new ATOM 0 HG SER A 80 5.165 0.992 9.414 1.00 0.00 H new ATOM 1142 N TRP A 81 5.157 2.989 5.294 1.00 0.00 N ATOM 1143 CA TRP A 81 5.761 4.245 4.862 1.00 0.00 C ATOM 1144 C TRP A 81 4.880 5.431 5.239 1.00 0.00 C ATOM 1145 O TRP A 81 3.658 5.305 5.326 1.00 0.00 O ATOM 1146 CB TRP A 81 5.995 4.228 3.350 1.00 0.00 C ATOM 1147 CG TRP A 81 6.825 5.377 2.865 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.397 6.443 2.126 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.227 5.575 3.083 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.448 7.291 1.871 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.581 6.781 2.448 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.216 4.851 3.754 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 9.882 7.277 2.465 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.507 5.344 3.770 1.00 0.00 C ATOM 1155 CH2 TRP A 81 10.830 6.548 3.130 1.00 0.00 C ATOM 0 H TRP A 81 4.139 2.970 5.240 1.00 0.00 H new ATOM 0 HA TRP A 81 6.719 4.352 5.370 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.485 3.294 3.076 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.032 4.244 2.840 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.382 6.597 1.791 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.393 8.159 1.339 1.00 0.00 H new ATOM 0 HE3 TRP A 81 8.976 3.923 4.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.134 8.204 1.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.280 4.792 4.284 1.00 0.00 H new ATOM 0 HH2 TRP A 81 11.848 6.908 3.162 1.00 0.00 H new ATOM 1166 N ASP A 82 5.507 6.580 5.461 1.00 0.00 N ATOM 1167 CA ASP A 82 4.779 7.790 5.828 1.00 0.00 C ATOM 1168 C ASP A 82 4.895 8.847 4.734 1.00 0.00 C ATOM 1169 O ASP A 82 5.890 9.570 4.658 1.00 0.00 O ATOM 1170 CB ASP A 82 5.306 8.347 7.151 1.00 0.00 C ATOM 1171 CG ASP A 82 6.792 8.105 7.330 1.00 0.00 C ATOM 1172 OD1 ASP A 82 7.591 8.807 6.674 1.00 0.00 O ATOM 1173 OD2 ASP A 82 7.156 7.215 8.125 1.00 0.00 O ATOM 0 H ASP A 82 6.518 6.700 5.393 1.00 0.00 H new ATOM 0 HA ASP A 82 3.727 7.530 5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.107 9.418 7.196 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.764 7.887 7.977 1.00 0.00 H new ATOM 1178 N LEU A 83 3.874 8.931 3.888 1.00 0.00 N ATOM 1179 CA LEU A 83 3.862 9.899 2.797 1.00 0.00 C ATOM 1180 C LEU A 83 3.712 11.320 3.332 1.00 0.00 C ATOM 1181 O LEU A 83 2.989 11.557 4.299 1.00 0.00 O ATOM 1182 CB LEU A 83 2.725 9.586 1.824 1.00 0.00 C ATOM 1183 CG LEU A 83 2.706 8.170 1.246 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.336 7.845 0.672 1.00 0.00 C ATOM 1185 CD2 LEU A 83 3.783 8.014 0.183 1.00 0.00 C ATOM 0 H LEU A 83 3.044 8.340 3.937 1.00 0.00 H new ATOM 0 HA LEU A 83 4.813 9.827 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.778 9.761 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.776 10.294 0.997 1.00 0.00 H new ATOM 0 HG LEU A 83 2.914 7.467 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.342 6.834 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.586 7.915 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.097 8.553 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.755 7.001 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.606 8.727 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.761 8.202 0.626 1.00 0.00 H new ATOM 1197 N VAL A 84 4.399 12.262 2.694 1.00 0.00 N ATOM 1198 CA VAL A 84 4.340 13.661 3.102 1.00 0.00 C ATOM 1199 C VAL A 84 4.309 14.586 1.891 1.00 0.00 C ATOM 1200 O VAL A 84 5.168 14.508 1.015 1.00 0.00 O ATOM 1201 CB VAL A 84 5.540 14.037 3.992 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.590 13.148 5.225 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.837 13.942 3.203 1.00 0.00 C ATOM 0 H VAL A 84 5.003 12.082 1.892 1.00 0.00 H new ATOM 0 HA VAL A 84 3.420 13.786 3.674 1.00 0.00 H new ATOM 0 HB VAL A 84 5.417 15.068 4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.444 13.428 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.672 13.271 5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.690 12.107 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.675 14.211 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.969 12.922 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.798 14.625 2.354 1.00 0.00 H new ATOM 1213 N GLY A 85 3.311 15.465 1.850 1.00 0.00 N ATOM 1214 CA GLY A 85 3.187 16.394 0.742 1.00 0.00 C ATOM 1215 C GLY A 85 1.930 16.160 -0.073 1.00 0.00 C ATOM 1216 O GLY A 85 1.985 16.070 -1.300 1.00 0.00 O ATOM 0 H GLY A 85 2.587 15.550 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.183 17.414 1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.059 16.301 0.094 1.00 0.00 H new ATOM 1220 N LEU A 86 0.795 16.059 0.610 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.482 15.832 -0.059 1.00 0.00 C ATOM 1222 C LEU A 86 -1.473 16.944 0.268 1.00 0.00 C ATOM 1223 O LEU A 86 -1.178 17.837 1.062 1.00 0.00 O ATOM 1224 CB LEU A 86 -1.063 14.478 0.355 1.00 0.00 C ATOM 1225 CG LEU A 86 -0.080 13.307 0.384 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.670 12.135 1.152 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.291 12.887 -1.031 1.00 0.00 C ATOM 0 H LEU A 86 0.733 16.131 1.626 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.306 15.832 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.503 14.582 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.874 14.229 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 86 0.827 13.631 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.043 11.311 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.885 12.442 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.592 11.811 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.991 12.053 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.607 12.581 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.755 13.726 -1.550 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.649 16.883 -0.349 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.683 17.885 -0.122 1.00 0.00 C ATOM 1241 C GLU A 87 -4.514 17.540 1.110 1.00 0.00 C ATOM 1242 O GLU A 87 -4.458 16.420 1.618 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.592 17.998 -1.348 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.171 19.388 -1.550 1.00 0.00 C ATOM 1245 CD GLU A 87 -6.492 19.580 -0.831 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -7.506 19.014 -1.290 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -6.512 20.297 0.191 1.00 0.00 O ATOM 0 H GLU A 87 -2.909 16.150 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.193 18.844 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.027 17.716 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.409 17.284 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.457 20.130 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.312 19.567 -2.616 1.00 0.00 H new ATOM 1254 N LYS A 88 -5.284 18.511 1.588 1.00 0.00 N ATOM 1255 CA LYS A 88 -6.128 18.313 2.760 1.00 0.00 C ATOM 1256 C LYS A 88 -7.517 17.829 2.356 1.00 0.00 C ATOM 1257 O LYS A 88 -8.064 18.262 1.341 1.00 0.00 O ATOM 1258 CB LYS A 88 -6.242 19.614 3.558 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.900 20.238 3.899 1.00 0.00 C ATOM 1260 CD LYS A 88 -5.062 21.651 4.433 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.718 22.348 4.581 1.00 0.00 C ATOM 1262 NZ LYS A 88 -3.866 23.730 5.117 1.00 0.00 N ATOM 0 H LYS A 88 -5.341 19.445 1.181 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.664 17.550 3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.832 20.331 2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.787 19.417 4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.390 19.624 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.269 20.254 3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.699 22.225 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.566 21.621 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.079 21.767 5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.220 22.386 3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.928 24.171 5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.455 24.292 4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.318 23.693 6.053 1.00 0.00 H new ATOM 1276 N TRP A 89 -8.082 16.932 3.155 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.408 16.391 2.881 1.00 0.00 C ATOM 1278 C TRP A 89 -9.521 15.939 1.429 1.00 0.00 C ATOM 1279 O TRP A 89 -10.452 16.322 0.719 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.481 17.436 3.187 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.755 16.844 3.711 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.887 15.694 4.435 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -13.076 17.372 3.548 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.210 15.475 4.733 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.960 16.491 4.201 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.597 18.504 2.917 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.335 16.708 4.238 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.962 18.718 2.955 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.818 17.824 3.612 1.00 0.00 C ATOM 0 H TRP A 89 -7.642 16.564 3.998 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.560 15.525 3.525 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -10.090 18.144 3.918 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.697 18.001 2.280 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.071 15.051 4.730 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.575 14.684 5.264 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.945 19.199 2.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -15.996 16.020 4.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -15.376 19.590 2.470 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.880 18.020 3.624 1.00 0.00 H new ATOM 1300 N THR A 90 -8.569 15.120 0.992 1.00 0.00 N ATOM 1301 CA THR A 90 -8.562 14.617 -0.376 1.00 0.00 C ATOM 1302 C THR A 90 -8.162 13.147 -0.418 1.00 0.00 C ATOM 1303 O THR A 90 -7.208 12.735 0.241 1.00 0.00 O ATOM 1304 CB THR A 90 -7.599 15.425 -1.267 1.00 0.00 C ATOM 1305 OG1 THR A 90 -8.190 16.683 -1.611 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.260 14.655 -2.534 1.00 0.00 C ATOM 0 H THR A 90 -7.793 14.791 1.566 1.00 0.00 H new ATOM 0 HA THR A 90 -9.577 14.726 -0.759 1.00 0.00 H new ATOM 0 HB THR A 90 -6.679 15.597 -0.708 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.705 17.406 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.579 15.245 -3.147 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.784 13.711 -2.270 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.173 14.457 -3.095 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.897 12.360 -1.198 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.618 10.935 -1.326 1.00 0.00 C ATOM 1316 C GLU A 91 -7.357 10.699 -2.153 1.00 0.00 C ATOM 1317 O GLU A 91 -7.155 11.332 -3.190 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.805 10.215 -1.969 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.961 8.773 -1.517 1.00 0.00 C ATOM 1320 CD GLU A 91 -10.468 8.661 -0.092 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -10.496 9.692 0.612 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -10.837 7.540 0.319 1.00 0.00 O ATOM 0 H GLU A 91 -9.690 12.686 -1.751 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.457 10.532 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.719 10.761 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.688 10.236 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.651 8.259 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.000 8.265 -1.598 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.513 9.786 -1.686 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.270 9.469 -2.379 1.00 0.00 C ATOM 1331 C TYR A 92 -5.113 7.961 -2.553 1.00 0.00 C ATOM 1332 O TYR A 92 -5.351 7.190 -1.624 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.074 10.032 -1.610 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.750 11.467 -1.960 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -2.886 11.770 -3.005 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -4.310 12.520 -1.247 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -2.587 13.079 -3.327 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -4.017 13.832 -1.563 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.155 14.107 -2.604 1.00 0.00 C ATOM 1340 OH TYR A 92 -2.860 15.413 -2.923 1.00 0.00 O ATOM 0 H TYR A 92 -6.667 9.252 -0.830 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.307 9.929 -3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.276 9.964 -0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.200 9.412 -1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.441 10.968 -3.575 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.986 12.309 -0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.912 13.297 -4.141 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.460 14.639 -0.998 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.649 15.840 -3.318 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.711 7.549 -3.751 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.522 6.135 -4.049 1.00 0.00 C ATOM 1352 C ARG A 93 -3.055 5.740 -3.905 1.00 0.00 C ATOM 1353 O ARG A 93 -2.215 6.123 -4.719 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.009 5.820 -5.464 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.518 5.919 -5.625 1.00 0.00 C ATOM 1356 CD ARG A 93 -6.968 5.406 -6.984 1.00 0.00 C ATOM 1357 NE ARG A 93 -8.372 5.707 -7.245 1.00 0.00 N ATOM 1358 CZ ARG A 93 -8.957 5.523 -8.424 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -8.261 5.042 -9.444 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -10.240 5.821 -8.583 1.00 0.00 N ATOM 0 H ARG A 93 -4.510 8.175 -4.531 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.108 5.558 -3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.532 6.505 -6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.688 4.814 -5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.007 5.345 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.831 6.956 -5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.351 5.853 -7.763 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.813 4.328 -7.034 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.935 6.079 -6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.274 4.812 -9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.712 4.902 -10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.778 6.192 -7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.688 5.679 -9.488 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.754 4.971 -2.863 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.389 4.523 -2.612 1.00 0.00 C ATOM 1376 C VAL A 94 -1.191 3.083 -3.069 1.00 0.00 C ATOM 1377 O VAL A 94 -2.046 2.226 -2.844 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.029 4.631 -1.119 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.383 4.120 -0.872 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.177 6.067 -0.637 1.00 0.00 C ATOM 0 H VAL A 94 -3.437 4.645 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.731 5.176 -3.185 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.720 4.008 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.620 4.204 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.451 3.076 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.091 4.714 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.918 6.124 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.511 6.713 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.208 6.393 -0.777 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.057 2.823 -3.711 1.00 0.00 N ATOM 1391 CA TRP A 95 0.254 1.484 -4.200 1.00 0.00 C ATOM 1392 C TRP A 95 1.623 1.029 -3.706 1.00 0.00 C ATOM 1393 O TRP A 95 2.650 1.589 -4.091 1.00 0.00 O ATOM 1394 CB TRP A 95 0.213 1.455 -5.728 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.140 1.765 -6.293 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.167 0.887 -6.488 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.611 3.043 -6.735 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.249 1.542 -7.026 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -2.934 2.865 -7.187 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -1.046 4.319 -6.793 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.696 3.917 -7.689 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.803 5.362 -7.291 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -3.117 5.156 -7.733 1.00 0.00 C ATOM 0 H TRP A 95 0.661 3.521 -3.905 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.498 0.798 -3.811 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.934 2.174 -6.117 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.526 0.470 -6.074 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.134 -0.167 -6.254 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.142 1.112 -7.266 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.034 4.488 -6.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.708 3.760 -8.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.375 6.352 -7.341 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.684 5.992 -8.116 1.00 0.00 H new ATOM 1414 N VAL A 96 1.632 0.010 -2.853 1.00 0.00 N ATOM 1415 CA VAL A 96 2.876 -0.520 -2.308 1.00 0.00 C ATOM 1416 C VAL A 96 3.142 -1.932 -2.819 1.00 0.00 C ATOM 1417 O VAL A 96 2.284 -2.810 -2.721 1.00 0.00 O ATOM 1418 CB VAL A 96 2.851 -0.539 -0.768 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.649 -1.322 -0.263 1.00 0.00 C ATOM 1420 CG2 VAL A 96 4.146 -1.123 -0.222 1.00 0.00 C ATOM 0 H VAL A 96 0.791 -0.465 -2.524 1.00 0.00 H new ATOM 0 HA VAL A 96 3.675 0.141 -2.643 1.00 0.00 H new ATOM 0 HB VAL A 96 2.762 0.487 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.648 -1.324 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.733 -0.856 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.703 -2.348 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.112 -1.129 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.267 -2.143 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.988 -0.516 -0.555 1.00 0.00 H new ATOM 1430 N ARG A 97 4.335 -2.143 -3.363 1.00 0.00 N ATOM 1431 CA ARG A 97 4.714 -3.448 -3.891 1.00 0.00 C ATOM 1432 C ARG A 97 6.053 -3.900 -3.314 1.00 0.00 C ATOM 1433 O ARG A 97 6.798 -3.100 -2.748 1.00 0.00 O ATOM 1434 CB ARG A 97 4.795 -3.402 -5.417 1.00 0.00 C ATOM 1435 CG ARG A 97 5.978 -2.604 -5.941 1.00 0.00 C ATOM 1436 CD ARG A 97 5.696 -2.030 -7.321 1.00 0.00 C ATOM 1437 NE ARG A 97 4.898 -2.939 -8.139 1.00 0.00 N ATOM 1438 CZ ARG A 97 4.805 -2.849 -9.461 1.00 0.00 C ATOM 1439 NH1 ARG A 97 5.458 -1.895 -10.111 1.00 0.00 N ATOM 1440 NH2 ARG A 97 4.059 -3.714 -10.136 1.00 0.00 N ATOM 0 H ARG A 97 5.056 -1.427 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 97 3.949 -4.166 -3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.857 -4.421 -5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.874 -2.970 -5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.207 -1.794 -5.249 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.859 -3.244 -5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.172 -1.080 -7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.639 -1.821 -7.826 1.00 0.00 H new ATOM 0 HE ARG A 97 4.384 -3.684 -7.669 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.033 -1.229 -9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.385 -1.828 -11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.556 -4.450 -9.640 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.989 -3.643 -11.151 1.00 0.00 H new ATOM 1454 N ALA A 98 6.351 -5.187 -3.461 1.00 0.00 N ATOM 1455 CA ALA A 98 7.599 -5.745 -2.956 1.00 0.00 C ATOM 1456 C ALA A 98 8.548 -6.089 -4.099 1.00 0.00 C ATOM 1457 O ALA A 98 8.135 -6.646 -5.116 1.00 0.00 O ATOM 1458 CB ALA A 98 7.322 -6.977 -2.108 1.00 0.00 C ATOM 0 H ALA A 98 5.745 -5.863 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 98 8.080 -4.991 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.263 -7.383 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.688 -6.703 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.816 -7.729 -2.713 1.00 0.00 H new ATOM 1464 N HIS A 99 9.823 -5.753 -3.925 1.00 0.00 N ATOM 1465 CA HIS A 99 10.831 -6.028 -4.943 1.00 0.00 C ATOM 1466 C HIS A 99 11.846 -7.050 -4.440 1.00 0.00 C ATOM 1467 O HIS A 99 12.390 -6.914 -3.344 1.00 0.00 O ATOM 1468 CB HIS A 99 11.546 -4.737 -5.343 1.00 0.00 C ATOM 1469 CG HIS A 99 10.675 -3.780 -6.099 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.655 -3.064 -5.510 1.00 0.00 N ATOM 1471 CD2 HIS A 99 10.679 -3.422 -7.405 1.00 0.00 C ATOM 1472 CE1 HIS A 99 9.067 -2.308 -6.420 1.00 0.00 C ATOM 1473 NE2 HIS A 99 9.671 -2.507 -7.578 1.00 0.00 N ATOM 0 H HIS A 99 10.182 -5.291 -3.090 1.00 0.00 H new ATOM 0 HA HIS A 99 10.327 -6.442 -5.816 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.919 -4.245 -4.445 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.414 -4.986 -5.954 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.350 -3.788 -8.168 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.235 -1.641 -6.247 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.427 -2.054 -8.459 1.00 0.00 H new ATOM 1482 N THR A 100 12.096 -8.075 -5.249 1.00 0.00 N ATOM 1483 CA THR A 100 13.043 -9.122 -4.886 1.00 0.00 C ATOM 1484 C THR A 100 14.264 -9.098 -5.799 1.00 0.00 C ATOM 1485 O THR A 100 14.239 -8.492 -6.870 1.00 0.00 O ATOM 1486 CB THR A 100 12.393 -10.516 -4.954 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.450 -10.566 -6.030 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.694 -10.851 -3.645 1.00 0.00 C ATOM 0 H THR A 100 11.656 -8.202 -6.160 1.00 0.00 H new ATOM 0 HA THR A 100 13.355 -8.925 -3.860 1.00 0.00 H new ATOM 0 HB THR A 100 13.179 -11.251 -5.127 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.645 -9.850 -6.670 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.242 -11.840 -3.717 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.420 -10.842 -2.832 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.918 -10.111 -3.447 1.00 0.00 H new ATOM 1496 N ASP A 101 15.331 -9.762 -5.368 1.00 0.00 N ATOM 1497 CA ASP A 101 16.562 -9.819 -6.148 1.00 0.00 C ATOM 1498 C ASP A 101 16.295 -10.365 -7.546 1.00 0.00 C ATOM 1499 O ASP A 101 17.060 -10.117 -8.478 1.00 0.00 O ATOM 1500 CB ASP A 101 17.602 -10.687 -5.437 1.00 0.00 C ATOM 1501 CG ASP A 101 18.834 -10.928 -6.287 1.00 0.00 C ATOM 1502 OD1 ASP A 101 19.391 -9.944 -6.817 1.00 0.00 O ATOM 1503 OD2 ASP A 101 19.241 -12.101 -6.422 1.00 0.00 O ATOM 0 H ASP A 101 15.368 -10.268 -4.483 1.00 0.00 H new ATOM 0 HA ASP A 101 16.950 -8.805 -6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.896 -10.206 -4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.153 -11.645 -5.174 1.00 0.00 H new ATOM 1508 N VAL A 102 15.204 -11.112 -7.686 1.00 0.00 N ATOM 1509 CA VAL A 102 14.836 -11.694 -8.971 1.00 0.00 C ATOM 1510 C VAL A 102 14.086 -10.687 -9.836 1.00 0.00 C ATOM 1511 O VAL A 102 14.185 -10.710 -11.062 1.00 0.00 O ATOM 1512 CB VAL A 102 13.962 -12.949 -8.788 1.00 0.00 C ATOM 1513 CG1 VAL A 102 14.695 -13.995 -7.963 1.00 0.00 C ATOM 1514 CG2 VAL A 102 12.634 -12.584 -8.143 1.00 0.00 C ATOM 0 H VAL A 102 14.560 -11.328 -6.925 1.00 0.00 H new ATOM 0 HA VAL A 102 15.764 -11.976 -9.469 1.00 0.00 H new ATOM 0 HB VAL A 102 13.758 -13.374 -9.771 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.062 -14.874 -7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 102 15.617 -14.278 -8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.932 -13.584 -6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.029 -13.483 -8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.815 -12.134 -7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.104 -11.874 -8.778 1.00 0.00 H new ATOM 1524 N GLY A 103 13.334 -9.802 -9.187 1.00 0.00 N ATOM 1525 CA GLY A 103 12.578 -8.798 -9.913 1.00 0.00 C ATOM 1526 C GLY A 103 11.505 -8.152 -9.059 1.00 0.00 C ATOM 1527 O GLY A 103 11.279 -8.536 -7.911 1.00 0.00 O ATOM 0 H GLY A 103 13.235 -9.763 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.259 -8.029 -10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.116 -9.257 -10.787 1.00 0.00 H new ATOM 1531 N PRO A 104 10.822 -7.144 -9.623 1.00 0.00 N ATOM 1532 CA PRO A 104 9.757 -6.421 -8.923 1.00 0.00 C ATOM 1533 C PRO A 104 8.512 -7.278 -8.717 1.00 0.00 C ATOM 1534 O PRO A 104 8.380 -8.349 -9.308 1.00 0.00 O ATOM 1535 CB PRO A 104 9.450 -5.249 -9.858 1.00 0.00 C ATOM 1536 CG PRO A 104 9.861 -5.724 -11.209 1.00 0.00 C ATOM 1537 CD PRO A 104 11.038 -6.634 -10.987 1.00 0.00 C ATOM 0 HA PRO A 104 10.061 -6.117 -7.921 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.391 -4.991 -9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.003 -4.356 -9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.045 -6.254 -11.701 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.131 -4.886 -11.852 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.065 -7.442 -11.718 1.00 0.00 H new ATOM 0 HD3 PRO A 104 11.983 -6.097 -11.070 1.00 0.00 H new ATOM 1545 N GLY A 105 7.602 -6.799 -7.874 1.00 0.00 N ATOM 1546 CA GLY A 105 6.380 -7.535 -7.606 1.00 0.00 C ATOM 1547 C GLY A 105 5.138 -6.753 -7.984 1.00 0.00 C ATOM 1548 O GLY A 105 5.186 -5.546 -8.219 1.00 0.00 O ATOM 0 H GLY A 105 7.689 -5.915 -7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.397 -8.474 -8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.337 -7.789 -6.547 1.00 0.00 H new ATOM 1552 N PRO A 106 3.993 -7.449 -8.050 1.00 0.00 N ATOM 1553 CA PRO A 106 2.711 -6.833 -8.404 1.00 0.00 C ATOM 1554 C PRO A 106 2.196 -5.900 -7.313 1.00 0.00 C ATOM 1555 O PRO A 106 2.378 -6.161 -6.125 1.00 0.00 O ATOM 1556 CB PRO A 106 1.774 -8.032 -8.569 1.00 0.00 C ATOM 1557 CG PRO A 106 2.374 -9.101 -7.722 1.00 0.00 C ATOM 1558 CD PRO A 106 3.862 -8.892 -7.784 1.00 0.00 C ATOM 0 HA PRO A 106 2.790 -6.211 -9.296 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.762 -7.791 -8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.709 -8.343 -9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.013 -9.034 -6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.103 -10.090 -8.092 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.347 -9.174 -6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.319 -9.489 -8.573 1.00 0.00 H new ATOM 1566 N GLU A 107 1.552 -4.813 -7.726 1.00 0.00 N ATOM 1567 CA GLU A 107 1.011 -3.842 -6.783 1.00 0.00 C ATOM 1568 C GLU A 107 0.030 -4.506 -5.820 1.00 0.00 C ATOM 1569 O GLU A 107 -0.188 -5.716 -5.877 1.00 0.00 O ATOM 1570 CB GLU A 107 0.315 -2.703 -7.531 1.00 0.00 C ATOM 1571 CG GLU A 107 1.252 -1.888 -8.407 1.00 0.00 C ATOM 1572 CD GLU A 107 0.541 -1.245 -9.582 1.00 0.00 C ATOM 1573 OE1 GLU A 107 -0.212 -0.273 -9.361 1.00 0.00 O ATOM 1574 OE2 GLU A 107 0.738 -1.714 -10.722 1.00 0.00 O ATOM 0 H GLU A 107 1.392 -4.583 -8.707 1.00 0.00 H new ATOM 0 HA GLU A 107 1.841 -3.434 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.479 -3.119 -8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.160 -2.041 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.724 -1.112 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.049 -2.532 -8.778 1.00 0.00 H new ATOM 1581 N SER A 108 -0.557 -3.706 -4.937 1.00 0.00 N ATOM 1582 CA SER A 108 -1.510 -4.216 -3.958 1.00 0.00 C ATOM 1583 C SER A 108 -2.788 -3.382 -3.960 1.00 0.00 C ATOM 1584 O SER A 108 -2.799 -2.242 -4.425 1.00 0.00 O ATOM 1585 CB SER A 108 -0.889 -4.214 -2.560 1.00 0.00 C ATOM 1586 OG SER A 108 -0.432 -2.921 -2.206 1.00 0.00 O ATOM 0 H SER A 108 -0.390 -2.701 -4.879 1.00 0.00 H new ATOM 0 HA SER A 108 -1.763 -5.240 -4.233 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.625 -4.555 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.058 -4.918 -2.527 1.00 0.00 H new ATOM 0 HG SER A 108 0.516 -2.835 -2.437 1.00 0.00 H new ATOM 1592 N SER A 109 -3.865 -3.960 -3.436 1.00 0.00 N ATOM 1593 CA SER A 109 -5.150 -3.273 -3.380 1.00 0.00 C ATOM 1594 C SER A 109 -4.981 -1.846 -2.868 1.00 0.00 C ATOM 1595 O SER A 109 -4.553 -1.611 -1.738 1.00 0.00 O ATOM 1596 CB SER A 109 -6.122 -4.039 -2.480 1.00 0.00 C ATOM 1597 OG SER A 109 -6.090 -3.539 -1.155 1.00 0.00 O ATOM 0 H SER A 109 -3.873 -4.902 -3.045 1.00 0.00 H new ATOM 0 HA SER A 109 -5.557 -3.232 -4.390 1.00 0.00 H new ATOM 0 HB2 SER A 109 -7.133 -3.957 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.864 -5.098 -2.479 1.00 0.00 H new ATOM 0 HG SER A 109 -5.304 -2.965 -1.041 1.00 0.00 H new ATOM 1603 N PRO A 110 -5.327 -0.869 -3.719 1.00 0.00 N ATOM 1604 CA PRO A 110 -5.223 0.553 -3.376 1.00 0.00 C ATOM 1605 C PRO A 110 -6.247 0.972 -2.326 1.00 0.00 C ATOM 1606 O PRO A 110 -7.453 0.915 -2.563 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.501 1.260 -4.705 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.323 0.292 -5.484 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.845 -1.076 -5.082 1.00 0.00 C ATOM 0 HA PRO A 110 -4.254 0.798 -2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.034 2.198 -4.551 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.575 1.502 -5.226 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.383 0.415 -5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.200 0.449 -6.556 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.655 -1.805 -5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.071 -1.445 -5.755 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.757 1.393 -1.164 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.629 1.823 -0.078 1.00 0.00 C ATOM 1619 C VAL A 111 -6.920 3.317 -0.165 1.00 0.00 C ATOM 1620 O VAL A 111 -6.005 4.141 -0.129 1.00 0.00 O ATOM 1621 CB VAL A 111 -6.009 1.511 1.297 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.910 2.011 2.415 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.749 0.019 1.438 1.00 0.00 C ATOM 0 H VAL A 111 -4.761 1.445 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.561 1.268 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.054 2.032 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.455 1.782 3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -7.040 3.089 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.881 1.521 2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.311 -0.183 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.689 -0.525 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.061 -0.306 0.658 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.198 3.660 -0.279 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.610 5.056 -0.371 1.00 0.00 C ATOM 1635 C LEU A 112 -8.697 5.690 1.013 1.00 0.00 C ATOM 1636 O LEU A 112 -9.441 5.224 1.876 1.00 0.00 O ATOM 1637 CB LEU A 112 -9.962 5.164 -1.079 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.096 4.390 -2.391 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.518 4.479 -2.921 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.107 4.913 -3.422 1.00 0.00 C ATOM 0 H LEU A 112 -8.967 2.991 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.859 5.593 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.737 4.817 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.162 6.217 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.868 3.342 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.594 3.922 -3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.206 4.056 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.775 5.523 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.217 4.351 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.304 5.968 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.091 4.795 -3.044 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.932 6.758 1.218 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.924 7.459 2.497 1.00 0.00 C ATOM 1654 C VAL A 113 -8.140 8.956 2.304 1.00 0.00 C ATOM 1655 O VAL A 113 -7.533 9.573 1.429 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.600 7.235 3.252 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.444 5.771 3.633 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.422 7.705 2.411 1.00 0.00 C ATOM 0 H VAL A 113 -7.310 7.157 0.515 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.744 7.050 3.088 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.620 7.824 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.503 5.632 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.272 5.472 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.445 5.158 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.495 7.540 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.396 7.145 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.531 8.768 2.194 1.00 0.00 H new ATOM 1668 N ARG A 114 -9.009 9.534 3.128 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.305 10.959 3.048 1.00 0.00 C ATOM 1670 C ARG A 114 -8.619 11.721 4.177 1.00 0.00 C ATOM 1671 O ARG A 114 -9.054 11.674 5.328 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.816 11.191 3.107 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.250 12.530 2.533 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.742 12.757 2.716 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.259 13.767 1.796 1.00 0.00 N ATOM 1676 CZ ARG A 114 -13.528 13.528 0.518 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -13.331 12.319 0.010 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -13.995 14.499 -0.256 1.00 0.00 N ATOM 0 H ARG A 114 -9.520 9.037 3.858 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.923 11.331 2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.319 10.392 2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.145 11.126 4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.696 13.333 3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.002 12.570 1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -13.273 11.818 2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.938 13.067 3.742 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.422 14.708 2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.972 11.570 0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -13.539 12.138 -0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -14.148 15.430 0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -14.201 14.314 -1.238 1.00 0.00 H new ATOM 1692 N THR A 115 -7.541 12.424 3.840 1.00 0.00 N ATOM 1693 CA THR A 115 -6.793 13.195 4.825 1.00 0.00 C ATOM 1694 C THR A 115 -7.727 14.026 5.697 1.00 0.00 C ATOM 1695 O THR A 115 -8.839 14.362 5.289 1.00 0.00 O ATOM 1696 CB THR A 115 -5.774 14.131 4.148 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.400 14.846 3.078 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.588 13.343 3.613 1.00 0.00 C ATOM 0 H THR A 115 -7.167 12.475 2.892 1.00 0.00 H new ATOM 0 HA THR A 115 -6.259 12.478 5.449 1.00 0.00 H new ATOM 0 HB THR A 115 -5.413 14.839 4.894 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.727 15.373 2.599 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.882 14.025 3.139 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.095 12.824 4.435 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.936 12.615 2.881 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.269 14.354 6.900 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.063 15.147 7.831 1.00 0.00 C ATOM 1708 C ASP A 116 -8.607 16.400 7.151 1.00 0.00 C ATOM 1709 O ASP A 116 -7.935 17.005 6.316 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.223 15.537 9.048 1.00 0.00 C ATOM 1711 CG ASP A 116 -7.028 14.381 10.010 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -7.161 13.219 9.575 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -6.742 14.640 11.198 1.00 0.00 O ATOM 0 H ASP A 116 -6.351 14.083 7.253 1.00 0.00 H new ATOM 0 HA ASP A 116 -8.905 14.539 8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.250 15.897 8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.706 16.363 9.570 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.828 16.781 7.513 1.00 0.00 N ATOM 1719 CA GLU A 117 -10.461 17.961 6.935 1.00 0.00 C ATOM 1720 C GLU A 117 -10.068 19.220 7.701 1.00 0.00 C ATOM 1721 O GLU A 117 -9.643 19.151 8.855 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.983 17.803 6.939 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.637 18.241 8.239 1.00 0.00 C ATOM 1724 CD GLU A 117 -13.995 17.601 8.453 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -14.121 16.382 8.213 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -14.933 18.319 8.859 1.00 0.00 O ATOM 0 H GLU A 117 -10.398 16.291 8.203 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.115 18.060 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.402 18.384 6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.232 16.759 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.984 17.987 9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.746 19.325 8.239 1.00 0.00 H new ATOM 1733 N ASP A 118 -10.212 20.370 7.051 1.00 0.00 N ATOM 1734 CA ASP A 118 -9.872 21.646 7.671 1.00 0.00 C ATOM 1735 C ASP A 118 -11.128 22.372 8.143 1.00 0.00 C ATOM 1736 O ASP A 118 -11.127 23.018 9.190 1.00 0.00 O ATOM 1737 CB ASP A 118 -9.099 22.525 6.686 1.00 0.00 C ATOM 1738 CG ASP A 118 -8.542 23.774 7.340 1.00 0.00 C ATOM 1739 OD1 ASP A 118 -7.556 23.659 8.098 1.00 0.00 O ATOM 1740 OD2 ASP A 118 -9.092 24.868 7.093 1.00 0.00 O ATOM 0 H ASP A 118 -10.562 20.445 6.096 1.00 0.00 H new ATOM 0 HA ASP A 118 -9.243 21.445 8.538 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -8.281 21.949 6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.756 22.811 5.865 1.00 0.00 H new ATOM 1745 N VAL A 119 -12.198 22.263 7.361 1.00 0.00 N ATOM 1746 CA VAL A 119 -13.460 22.909 7.699 1.00 0.00 C ATOM 1747 C VAL A 119 -14.356 21.976 8.506 1.00 0.00 C ATOM 1748 O VAL A 119 -14.401 20.767 8.279 1.00 0.00 O ATOM 1749 CB VAL A 119 -14.215 23.360 6.435 1.00 0.00 C ATOM 1750 CG1 VAL A 119 -13.334 24.255 5.577 1.00 0.00 C ATOM 1751 CG2 VAL A 119 -14.696 22.154 5.642 1.00 0.00 C ATOM 0 H VAL A 119 -12.215 21.733 6.489 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.216 23.785 8.300 1.00 0.00 H new ATOM 0 HB VAL A 119 -15.088 23.936 6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.885 24.564 4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -13.045 25.137 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -12.440 23.707 5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.227 22.492 4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -13.840 21.549 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.366 21.556 6.260 1.00 0.00 H new ATOM 1761 N PRO A 120 -15.088 22.550 9.473 1.00 0.00 N ATOM 1762 CA PRO A 120 -15.997 21.788 10.335 1.00 0.00 C ATOM 1763 C PRO A 120 -17.219 21.276 9.579 1.00 0.00 C ATOM 1764 O PRO A 120 -18.127 20.693 10.170 1.00 0.00 O ATOM 1765 CB PRO A 120 -16.415 22.807 11.398 1.00 0.00 C ATOM 1766 CG PRO A 120 -16.250 24.132 10.739 1.00 0.00 C ATOM 1767 CD PRO A 120 -15.084 23.985 9.800 1.00 0.00 C ATOM 0 HA PRO A 120 -15.521 20.897 10.743 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -17.446 22.648 11.715 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -15.792 22.728 12.289 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -17.153 24.414 10.198 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -16.062 24.913 11.475 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -15.206 24.601 8.909 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -14.148 24.287 10.271 1.00 0.00 H new ATOM 1775 N SER A 121 -17.233 21.497 8.268 1.00 0.00 N ATOM 1776 CA SER A 121 -18.345 21.061 7.431 1.00 0.00 C ATOM 1777 C SER A 121 -18.973 19.785 7.985 1.00 0.00 C ATOM 1778 O SER A 121 -20.193 19.623 7.970 1.00 0.00 O ATOM 1779 CB SER A 121 -17.870 20.828 5.996 1.00 0.00 C ATOM 1780 OG SER A 121 -16.821 19.877 5.954 1.00 0.00 O ATOM 0 H SER A 121 -16.487 21.975 7.763 1.00 0.00 H new ATOM 0 HA SER A 121 -19.100 21.847 7.433 1.00 0.00 H new ATOM 0 HB2 SER A 121 -18.704 20.481 5.385 1.00 0.00 H new ATOM 0 HB3 SER A 121 -17.529 21.769 5.565 1.00 0.00 H new ATOM 0 HG SER A 121 -16.805 19.446 5.074 1.00 0.00 H new ATOM 1786 N GLY A 122 -18.130 18.881 8.473 1.00 0.00 N ATOM 1787 CA GLY A 122 -18.619 17.631 9.024 1.00 0.00 C ATOM 1788 C GLY A 122 -17.515 16.611 9.218 1.00 0.00 C ATOM 1789 O GLY A 122 -17.152 15.876 8.299 1.00 0.00 O ATOM 0 H GLY A 122 -17.116 18.992 8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -19.103 17.824 9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -19.379 17.218 8.361 1.00 0.00 H new ATOM 1793 N PRO A 123 -16.960 16.558 10.438 1.00 0.00 N ATOM 1794 CA PRO A 123 -15.882 15.625 10.777 1.00 0.00 C ATOM 1795 C PRO A 123 -16.361 14.178 10.824 1.00 0.00 C ATOM 1796 O PRO A 123 -17.523 13.893 11.112 1.00 0.00 O ATOM 1797 CB PRO A 123 -15.437 16.087 12.167 1.00 0.00 C ATOM 1798 CG PRO A 123 -16.632 16.765 12.741 1.00 0.00 C ATOM 1799 CD PRO A 123 -17.343 17.404 11.580 1.00 0.00 C ATOM 0 HA PRO A 123 -15.085 15.636 10.034 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.126 15.244 12.784 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -14.588 16.767 12.105 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -17.279 16.051 13.250 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -16.340 17.512 13.479 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -18.423 17.415 11.727 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -17.030 18.438 11.437 1.00 0.00 H new ATOM 1807 N PRO A 124 -15.445 13.241 10.537 1.00 0.00 N ATOM 1808 CA PRO A 124 -15.751 11.807 10.541 1.00 0.00 C ATOM 1809 C PRO A 124 -16.000 11.272 11.947 1.00 0.00 C ATOM 1810 O PRO A 124 -15.997 12.028 12.919 1.00 0.00 O ATOM 1811 CB PRO A 124 -14.492 11.174 9.943 1.00 0.00 C ATOM 1812 CG PRO A 124 -13.403 12.148 10.235 1.00 0.00 C ATOM 1813 CD PRO A 124 -14.040 13.509 10.186 1.00 0.00 C ATOM 0 HA PRO A 124 -16.662 11.583 9.986 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -14.285 10.203 10.393 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -14.601 11.012 8.871 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -12.962 11.959 11.214 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -12.600 12.066 9.503 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -13.574 14.197 10.892 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -13.952 13.959 9.197 1.00 0.00 H new ATOM 1821 N ARG A 125 -16.215 9.964 12.048 1.00 0.00 N ATOM 1822 CA ARG A 125 -16.466 9.328 13.336 1.00 0.00 C ATOM 1823 C ARG A 125 -15.156 8.963 14.027 1.00 0.00 C ATOM 1824 O ARG A 125 -14.302 8.291 13.447 1.00 0.00 O ATOM 1825 CB ARG A 125 -17.325 8.076 13.151 1.00 0.00 C ATOM 1826 CG ARG A 125 -17.493 7.260 14.422 1.00 0.00 C ATOM 1827 CD ARG A 125 -18.698 7.723 15.226 1.00 0.00 C ATOM 1828 NE ARG A 125 -18.354 8.784 16.168 1.00 0.00 N ATOM 1829 CZ ARG A 125 -19.226 9.338 17.002 1.00 0.00 C ATOM 1830 NH1 ARG A 125 -20.489 8.932 17.012 1.00 0.00 N ATOM 1831 NH2 ARG A 125 -18.836 10.299 17.830 1.00 0.00 N ATOM 0 H ARG A 125 -16.220 9.324 11.254 1.00 0.00 H new ATOM 0 HA ARG A 125 -17.002 10.038 13.966 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -18.309 8.371 12.786 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -16.875 7.447 12.382 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.607 6.206 14.167 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -16.593 7.344 15.031 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -19.472 8.079 14.546 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -19.117 6.877 15.771 1.00 0.00 H new ATOM 0 HE ARG A 125 -17.390 9.118 16.186 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -20.792 8.193 16.378 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -21.157 9.359 17.654 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -17.865 10.613 17.826 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -19.507 10.724 18.470 1.00 0.00 H new ATOM 1845 N LYS A 126 -15.003 9.409 15.269 1.00 0.00 N ATOM 1846 CA LYS A 126 -13.798 9.129 16.040 1.00 0.00 C ATOM 1847 C LYS A 126 -13.915 7.792 16.766 1.00 0.00 C ATOM 1848 O LYS A 126 -14.688 7.655 17.714 1.00 0.00 O ATOM 1849 CB LYS A 126 -13.543 10.249 17.051 1.00 0.00 C ATOM 1850 CG LYS A 126 -12.075 10.436 17.394 1.00 0.00 C ATOM 1851 CD LYS A 126 -11.332 11.165 16.287 1.00 0.00 C ATOM 1852 CE LYS A 126 -11.595 12.662 16.331 1.00 0.00 C ATOM 1853 NZ LYS A 126 -11.128 13.344 15.093 1.00 0.00 N ATOM 0 H LYS A 126 -15.699 9.967 15.764 1.00 0.00 H new ATOM 0 HA LYS A 126 -12.958 9.075 15.347 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -13.936 11.184 16.652 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -14.097 10.035 17.965 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -11.986 10.998 18.324 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -11.613 9.463 17.564 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -10.262 10.980 16.382 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -11.639 10.769 15.319 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -12.662 12.839 16.463 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -11.091 13.094 17.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -11.325 14.363 15.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -10.105 13.196 14.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -11.627 12.950 14.270 1.00 0.00 H new ATOM 1867 N VAL A 127 -13.142 6.809 16.315 1.00 0.00 N ATOM 1868 CA VAL A 127 -13.157 5.484 16.923 1.00 0.00 C ATOM 1869 C VAL A 127 -11.744 5.012 17.247 1.00 0.00 C ATOM 1870 O VAL A 127 -10.807 5.260 16.488 1.00 0.00 O ATOM 1871 CB VAL A 127 -13.833 4.452 16.002 1.00 0.00 C ATOM 1872 CG1 VAL A 127 -13.209 4.483 14.616 1.00 0.00 C ATOM 1873 CG2 VAL A 127 -13.741 3.059 16.606 1.00 0.00 C ATOM 0 H VAL A 127 -12.497 6.906 15.530 1.00 0.00 H new ATOM 0 HA VAL A 127 -13.730 5.566 17.847 1.00 0.00 H new ATOM 0 HB VAL A 127 -14.887 4.713 15.905 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -13.700 3.747 13.979 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -13.332 5.476 14.184 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -12.147 4.248 14.690 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -14.224 2.342 15.942 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -12.693 2.787 16.734 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -14.240 3.049 17.575 1.00 0.00 H new ATOM 1883 N GLU A 128 -11.598 4.329 18.378 1.00 0.00 N ATOM 1884 CA GLU A 128 -10.299 3.822 18.802 1.00 0.00 C ATOM 1885 C GLU A 128 -10.049 2.426 18.239 1.00 0.00 C ATOM 1886 O GLU A 128 -10.978 1.633 18.082 1.00 0.00 O ATOM 1887 CB GLU A 128 -10.212 3.791 20.329 1.00 0.00 C ATOM 1888 CG GLU A 128 -11.221 2.859 20.977 1.00 0.00 C ATOM 1889 CD GLU A 128 -10.950 2.641 22.453 1.00 0.00 C ATOM 1890 OE1 GLU A 128 -10.602 3.623 23.143 1.00 0.00 O ATOM 1891 OE2 GLU A 128 -11.087 1.491 22.919 1.00 0.00 O ATOM 0 H GLU A 128 -12.364 4.114 19.017 1.00 0.00 H new ATOM 0 HA GLU A 128 -9.532 4.493 18.415 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -9.207 3.485 20.621 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.362 4.800 20.714 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.223 3.271 20.852 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -11.205 1.898 20.463 1.00 0.00 H new ATOM 1898 N SER A 129 -8.789 2.133 17.935 1.00 0.00 N ATOM 1899 CA SER A 129 -8.417 0.834 17.385 1.00 0.00 C ATOM 1900 C SER A 129 -6.920 0.587 17.541 1.00 0.00 C ATOM 1901 O SER A 129 -6.101 1.449 17.225 1.00 0.00 O ATOM 1902 CB SER A 129 -8.808 0.751 15.909 1.00 0.00 C ATOM 1903 OG SER A 129 -8.947 -0.596 15.493 1.00 0.00 O ATOM 0 H SER A 129 -8.008 2.777 18.060 1.00 0.00 H new ATOM 0 HA SER A 129 -8.954 0.065 17.940 1.00 0.00 H new ATOM 0 HB2 SER A 129 -9.745 1.283 15.747 1.00 0.00 H new ATOM 0 HB3 SER A 129 -8.051 1.246 15.301 1.00 0.00 H new ATOM 0 HG SER A 129 -9.199 -0.622 14.546 1.00 0.00 H new ATOM 1909 N GLY A 130 -6.570 -0.598 18.032 1.00 0.00 N ATOM 1910 CA GLY A 130 -5.172 -0.939 18.222 1.00 0.00 C ATOM 1911 C GLY A 130 -4.901 -2.415 18.010 1.00 0.00 C ATOM 1912 O GLY A 130 -4.684 -3.171 18.957 1.00 0.00 O ATOM 0 H GLY A 130 -7.230 -1.328 18.302 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -4.562 -0.358 17.530 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.866 -0.658 19.230 1.00 0.00 H new ATOM 1916 N PRO A 131 -4.914 -2.847 16.740 1.00 0.00 N ATOM 1917 CA PRO A 131 -4.670 -4.246 16.376 1.00 0.00 C ATOM 1918 C PRO A 131 -3.221 -4.661 16.606 1.00 0.00 C ATOM 1919 O PRO A 131 -2.294 -3.917 16.286 1.00 0.00 O ATOM 1920 CB PRO A 131 -5.009 -4.289 14.884 1.00 0.00 C ATOM 1921 CG PRO A 131 -4.797 -2.893 14.407 1.00 0.00 C ATOM 1922 CD PRO A 131 -5.166 -2.001 15.560 1.00 0.00 C ATOM 0 HA PRO A 131 -5.261 -4.933 16.981 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -4.367 -4.991 14.352 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -6.037 -4.611 14.721 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -3.761 -2.736 14.108 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -5.416 -2.680 13.535 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -4.559 -1.096 15.578 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -6.208 -1.686 15.507 1.00 0.00 H new ATOM 1930 N SER A 132 -3.033 -5.854 17.162 1.00 0.00 N ATOM 1931 CA SER A 132 -1.696 -6.366 17.437 1.00 0.00 C ATOM 1932 C SER A 132 -1.391 -7.584 16.570 1.00 0.00 C ATOM 1933 O SER A 132 -2.266 -8.411 16.313 1.00 0.00 O ATOM 1934 CB SER A 132 -1.562 -6.734 18.917 1.00 0.00 C ATOM 1935 OG SER A 132 -2.576 -7.642 19.310 1.00 0.00 O ATOM 0 H SER A 132 -3.789 -6.483 17.431 1.00 0.00 H new ATOM 0 HA SER A 132 -0.978 -5.582 17.198 1.00 0.00 H new ATOM 0 HB2 SER A 132 -0.583 -7.177 19.098 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.621 -5.832 19.526 1.00 0.00 H new ATOM 0 HG SER A 132 -2.468 -7.863 20.259 1.00 0.00 H new ATOM 1941 N SER A 133 -0.144 -7.686 16.121 1.00 0.00 N ATOM 1942 CA SER A 133 0.276 -8.799 15.279 1.00 0.00 C ATOM 1943 C SER A 133 0.332 -10.096 16.081 1.00 0.00 C ATOM 1944 O SER A 133 0.724 -10.102 17.247 1.00 0.00 O ATOM 1945 CB SER A 133 1.645 -8.510 14.661 1.00 0.00 C ATOM 1946 OG SER A 133 2.211 -9.683 14.103 1.00 0.00 O ATOM 0 H SER A 133 0.593 -7.011 16.327 1.00 0.00 H new ATOM 0 HA SER A 133 -0.458 -8.916 14.482 1.00 0.00 H new ATOM 0 HB2 SER A 133 1.545 -7.748 13.888 1.00 0.00 H new ATOM 0 HB3 SER A 133 2.313 -8.107 15.422 1.00 0.00 H new ATOM 0 HG SER A 133 3.085 -9.471 13.713 1.00 0.00 H new ATOM 1952 N GLY A 134 -0.064 -11.195 15.446 1.00 0.00 N ATOM 1953 CA GLY A 134 -0.053 -12.483 16.114 1.00 0.00 C ATOM 1954 C GLY A 134 0.369 -13.611 15.193 1.00 0.00 C ATOM 1955 O GLY A 134 1.443 -14.189 15.359 1.00 0.00 O ATOM 0 H GLY A 134 -0.392 -11.216 14.481 1.00 0.00 H new ATOM 0 HA2 GLY A 134 0.625 -12.441 16.966 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.047 -12.693 16.508 1.00 0.00 H new TER 1959 GLY A 134