USER MOD reduce.3.24.130724 H: found=0, std=0, add=1130, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1130 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 61 TYR OH : rot 110:sc= -0.913 USER MOD Set 1.2: A 93 SER OG : rot -114:sc= -1.98! USER MOD Set 2.1: A 66 MET CE :methyl -125:sc= -2 (180deg=-2.02) USER MOD Set 2.2: A 69 TYR OH : rot 31:sc= -2.93! USER MOD Set 3.1: A 57 THR OG1 : rot 88:sc= 0.926 USER MOD Set 3.2: A 58 ASN : amide:sc= 0.526 K(o=1.4,f=-2.9!) USER MOD Set 3.3: A 90 TYR OH : rot 30:sc= -0.0452 USER MOD Set 4.1: A 23 SER OG : rot -62:sc= 0.66 USER MOD Set 4.2: A 25 ASN : amide:sc= -4.92! C(o=-4.3!,f=-9.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 0 (180deg=-0.00114) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -22:sc= 0.0423 USER MOD Single : A 15 GLN : amide:sc= -2.5! C(o=-2.5!,f=-4.2!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.00126 X(o=-0.0013,f=-0.0013) USER MOD Single : A 24 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.6!) USER MOD Single : A 32 TYR OH : rot 142:sc= -7.95! USER MOD Single : A 33 GLN : amide:sc= -0.0878 X(o=-0.088,f=-0.42) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00776) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -76:sc= 0.84 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 49:sc= -0.398 USER MOD Single : A 79 GLN : amide:sc= -5.98 K(o=-6,f=-8.6!) USER MOD Single : A 82 LYS NZ :NH3+ -122:sc= -6.06! (180deg=-8.28!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 72:sc= -1.97! USER MOD Single : A 101 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00281) USER MOD Single : A 105 ASN : amide:sc= -2.33! C(o=-2.3!,f=-6.1!) USER MOD Single : A 112 LYS NZ :NH3+ -140:sc= 0.0921 (180deg=-0.0853) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= -0.479 USER MOD Single : A 120 HIS : no HD1:sc= -9.72! K(o=-9.7!,f=-6.2) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -5.1! C(o=-5.1!,f=-7.7!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -2.05 K(o=-2.1,f=-4.4!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 129.113 8.490 -19.605 1.00 0.00 N ATOM 2 CA MET A 1 129.914 7.239 -19.658 1.00 0.00 C ATOM 3 C MET A 1 129.750 6.426 -18.378 1.00 0.00 C ATOM 4 O MET A 1 130.732 5.961 -17.797 1.00 0.00 O ATOM 5 CB MET A 1 131.383 7.610 -19.865 1.00 0.00 C ATOM 6 CG MET A 1 132.029 6.900 -21.045 1.00 0.00 C ATOM 7 SD MET A 1 132.947 8.025 -22.114 1.00 0.00 S ATOM 8 CE MET A 1 132.491 7.404 -23.730 1.00 0.00 C ATOM 0 H1 MET A 1 129.257 9.032 -20.481 1.00 0.00 H new ATOM 0 H2 MET A 1 128.105 8.253 -19.506 1.00 0.00 H new ATOM 0 H3 MET A 1 129.416 9.062 -18.791 1.00 0.00 H new ATOM 0 HA MET A 1 129.562 6.622 -20.485 1.00 0.00 H new ATOM 0 HB2 MET A 1 131.460 8.687 -20.013 1.00 0.00 H new ATOM 0 HB3 MET A 1 131.940 7.372 -18.959 1.00 0.00 H new ATOM 0 HG2 MET A 1 132.702 6.127 -20.675 1.00 0.00 H new ATOM 0 HG3 MET A 1 131.257 6.398 -21.629 1.00 0.00 H new ATOM 0 HE1 MET A 1 132.981 7.999 -24.500 1.00 0.00 H new ATOM 0 HE2 MET A 1 132.803 6.364 -23.821 1.00 0.00 H new ATOM 0 HE3 MET A 1 131.410 7.470 -23.854 1.00 0.00 H new ATOM 20 N LYS A 2 128.506 6.260 -17.943 1.00 0.00 N ATOM 21 CA LYS A 2 128.214 5.504 -16.731 1.00 0.00 C ATOM 22 C LYS A 2 127.969 4.032 -17.052 1.00 0.00 C ATOM 23 O LYS A 2 127.502 3.694 -18.139 1.00 0.00 O ATOM 24 CB LYS A 2 126.995 6.092 -16.018 1.00 0.00 C ATOM 25 CG LYS A 2 127.201 7.519 -15.539 1.00 0.00 C ATOM 26 CD LYS A 2 126.436 7.792 -14.255 1.00 0.00 C ATOM 27 CE LYS A 2 127.172 7.250 -13.041 1.00 0.00 C ATOM 28 NZ LYS A 2 126.330 6.310 -12.252 1.00 0.00 N ATOM 0 H LYS A 2 127.683 6.639 -18.412 1.00 0.00 H new ATOM 0 HA LYS A 2 129.080 5.574 -16.073 1.00 0.00 H new ATOM 0 HB2 LYS A 2 126.141 6.064 -16.694 1.00 0.00 H new ATOM 0 HB3 LYS A 2 126.746 5.463 -15.163 1.00 0.00 H new ATOM 0 HG2 LYS A 2 128.264 7.699 -15.376 1.00 0.00 H new ATOM 0 HG3 LYS A 2 126.875 8.214 -16.313 1.00 0.00 H new ATOM 0 HD2 LYS A 2 126.286 8.866 -14.141 1.00 0.00 H new ATOM 0 HD3 LYS A 2 125.448 7.337 -14.316 1.00 0.00 H new ATOM 0 HE2 LYS A 2 128.079 6.740 -13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 2 127.483 8.079 -12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 126.870 5.964 -11.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 125.476 6.803 -11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 126.054 5.505 -12.850 1.00 0.00 H new ATOM 42 N PRO A 3 128.286 3.140 -16.103 1.00 0.00 N ATOM 43 CA PRO A 3 128.104 1.695 -16.276 1.00 0.00 C ATOM 44 C PRO A 3 126.682 1.335 -16.695 1.00 0.00 C ATOM 45 O PRO A 3 125.974 2.149 -17.288 1.00 0.00 O ATOM 46 CB PRO A 3 128.409 1.139 -14.883 1.00 0.00 C ATOM 47 CG PRO A 3 129.326 2.138 -14.279 1.00 0.00 C ATOM 48 CD PRO A 3 128.850 3.468 -14.782 1.00 0.00 C ATOM 0 HA PRO A 3 128.740 1.292 -17.064 1.00 0.00 H new ATOM 0 HB2 PRO A 3 127.500 1.026 -14.292 1.00 0.00 H new ATOM 0 HB3 PRO A 3 128.875 0.156 -14.941 1.00 0.00 H new ATOM 0 HG2 PRO A 3 129.293 2.095 -13.190 1.00 0.00 H new ATOM 0 HG3 PRO A 3 130.359 1.953 -14.574 1.00 0.00 H new ATOM 0 HD2 PRO A 3 128.102 3.905 -14.121 1.00 0.00 H new ATOM 0 HD3 PRO A 3 129.666 4.186 -14.859 1.00 0.00 H new ATOM 56 N ALA A 4 126.272 0.110 -16.383 1.00 0.00 N ATOM 57 CA ALA A 4 124.934 -0.358 -16.727 1.00 0.00 C ATOM 58 C ALA A 4 123.911 0.767 -16.608 1.00 0.00 C ATOM 59 O ALA A 4 123.128 1.005 -17.526 1.00 0.00 O ATOM 60 CB ALA A 4 124.540 -1.527 -15.836 1.00 0.00 C ATOM 0 H ALA A 4 126.846 -0.576 -15.893 1.00 0.00 H new ATOM 0 HA ALA A 4 124.948 -0.693 -17.764 1.00 0.00 H new ATOM 0 HB1 ALA A 4 123.539 -1.867 -16.103 1.00 0.00 H new ATOM 0 HB2 ALA A 4 125.249 -2.344 -15.972 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.549 -1.209 -14.793 1.00 0.00 H new ATOM 66 N ALA A 5 123.926 1.456 -15.472 1.00 0.00 N ATOM 67 CA ALA A 5 123.001 2.556 -15.233 1.00 0.00 C ATOM 68 C ALA A 5 121.673 2.048 -14.680 1.00 0.00 C ATOM 69 O ALA A 5 120.863 2.823 -14.171 1.00 0.00 O ATOM 70 CB ALA A 5 122.775 3.344 -16.514 1.00 0.00 C ATOM 0 H ALA A 5 124.569 1.271 -14.702 1.00 0.00 H new ATOM 0 HA ALA A 5 123.446 3.216 -14.488 1.00 0.00 H new ATOM 0 HB1 ALA A 5 122.082 4.163 -16.320 1.00 0.00 H new ATOM 0 HB2 ALA A 5 123.725 3.748 -16.865 1.00 0.00 H new ATOM 0 HB3 ALA A 5 122.356 2.687 -17.276 1.00 0.00 H new ATOM 76 N ARG A 6 121.455 0.741 -14.783 1.00 0.00 N ATOM 77 CA ARG A 6 120.225 0.130 -14.294 1.00 0.00 C ATOM 78 C ARG A 6 119.991 0.480 -12.827 1.00 0.00 C ATOM 79 O ARG A 6 118.971 1.071 -12.475 1.00 0.00 O ATOM 80 CB ARG A 6 120.281 -1.389 -14.465 1.00 0.00 C ATOM 81 CG ARG A 6 118.938 -2.013 -14.806 1.00 0.00 C ATOM 82 CD ARG A 6 118.885 -3.477 -14.398 1.00 0.00 C ATOM 83 NE ARG A 6 120.112 -4.186 -14.744 1.00 0.00 N ATOM 84 CZ ARG A 6 120.293 -5.487 -14.538 1.00 0.00 C ATOM 85 NH1 ARG A 6 119.329 -6.215 -13.991 1.00 0.00 N ATOM 86 NH2 ARG A 6 121.438 -6.061 -14.880 1.00 0.00 N ATOM 0 H ARG A 6 122.115 0.085 -15.201 1.00 0.00 H new ATOM 0 HA ARG A 6 119.395 0.523 -14.881 1.00 0.00 H new ATOM 0 HB2 ARG A 6 120.995 -1.632 -15.252 1.00 0.00 H new ATOM 0 HB3 ARG A 6 120.657 -1.836 -13.545 1.00 0.00 H new ATOM 0 HG2 ARG A 6 118.142 -1.465 -14.302 1.00 0.00 H new ATOM 0 HG3 ARG A 6 118.756 -1.926 -15.877 1.00 0.00 H new ATOM 0 HD2 ARG A 6 118.716 -3.548 -13.323 1.00 0.00 H new ATOM 0 HD3 ARG A 6 118.038 -3.959 -14.886 1.00 0.00 H new ATOM 0 HE ARG A 6 120.873 -3.655 -15.167 1.00 0.00 H new ATOM 0 HH11 ARG A 6 118.446 -5.777 -13.727 1.00 0.00 H new ATOM 0 HH12 ARG A 6 119.470 -7.213 -13.834 1.00 0.00 H new ATOM 0 HH21 ARG A 6 122.182 -5.504 -15.302 1.00 0.00 H new ATOM 0 HH22 ARG A 6 121.575 -7.059 -14.721 1.00 0.00 H new ATOM 100 N ARG A 7 120.945 0.111 -11.978 1.00 0.00 N ATOM 101 CA ARG A 7 120.845 0.388 -10.549 1.00 0.00 C ATOM 102 C ARG A 7 119.794 -0.503 -9.893 1.00 0.00 C ATOM 103 O ARG A 7 119.255 -1.413 -10.523 1.00 0.00 O ATOM 104 CB ARG A 7 120.500 1.860 -10.317 1.00 0.00 C ATOM 105 CG ARG A 7 121.635 2.660 -9.697 1.00 0.00 C ATOM 106 CD ARG A 7 121.309 3.076 -8.271 1.00 0.00 C ATOM 107 NE ARG A 7 122.295 4.011 -7.736 1.00 0.00 N ATOM 108 CZ ARG A 7 122.413 4.296 -6.444 1.00 0.00 C ATOM 109 NH1 ARG A 7 121.609 3.719 -5.559 1.00 0.00 N ATOM 110 NH2 ARG A 7 123.333 5.157 -6.033 1.00 0.00 N ATOM 0 H ARG A 7 121.795 -0.380 -12.254 1.00 0.00 H new ATOM 0 HA ARG A 7 121.812 0.172 -10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 7 120.224 2.314 -11.269 1.00 0.00 H new ATOM 0 HB3 ARG A 7 119.626 1.922 -9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 7 122.548 2.064 -9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 7 121.829 3.547 -10.301 1.00 0.00 H new ATOM 0 HD2 ARG A 7 120.321 3.536 -8.244 1.00 0.00 H new ATOM 0 HD3 ARG A 7 121.266 2.191 -7.636 1.00 0.00 H new ATOM 0 HE ARG A 7 122.928 4.471 -8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 7 120.900 3.056 -5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 7 121.701 3.939 -4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 7 123.953 5.603 -6.709 1.00 0.00 H new ATOM 0 HH22 ARG A 7 123.421 5.374 -5.040 1.00 0.00 H new ATOM 124 N ARG A 8 119.509 -0.234 -8.624 1.00 0.00 N ATOM 125 CA ARG A 8 118.523 -1.008 -7.878 1.00 0.00 C ATOM 126 C ARG A 8 118.618 -0.708 -6.385 1.00 0.00 C ATOM 127 O ARG A 8 117.667 -0.204 -5.789 1.00 0.00 O ATOM 128 CB ARG A 8 118.727 -2.505 -8.123 1.00 0.00 C ATOM 129 CG ARG A 8 117.808 -3.075 -9.191 1.00 0.00 C ATOM 130 CD ARG A 8 116.853 -4.106 -8.610 1.00 0.00 C ATOM 131 NE ARG A 8 117.010 -5.413 -9.240 1.00 0.00 N ATOM 132 CZ ARG A 8 117.940 -6.294 -8.888 1.00 0.00 C ATOM 133 NH1 ARG A 8 118.795 -6.005 -7.916 1.00 0.00 N ATOM 134 NH2 ARG A 8 118.019 -7.463 -9.508 1.00 0.00 N ATOM 0 H ARG A 8 119.948 0.516 -8.089 1.00 0.00 H new ATOM 0 HA ARG A 8 117.531 -0.722 -8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 8 119.763 -2.680 -8.415 1.00 0.00 H new ATOM 0 HB3 ARG A 8 118.564 -3.043 -7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 8 117.238 -2.268 -9.651 1.00 0.00 H new ATOM 0 HG3 ARG A 8 118.405 -3.533 -9.980 1.00 0.00 H new ATOM 0 HD2 ARG A 8 117.027 -4.197 -7.538 1.00 0.00 H new ATOM 0 HD3 ARG A 8 115.827 -3.762 -8.739 1.00 0.00 H new ATOM 0 HE ARG A 8 116.370 -5.664 -9.993 1.00 0.00 H new ATOM 0 HH11 ARG A 8 118.739 -5.106 -7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 8 119.509 -6.682 -7.646 1.00 0.00 H new ATOM 0 HH21 ARG A 8 117.365 -7.688 -10.257 1.00 0.00 H new ATOM 0 HH22 ARG A 8 118.734 -8.137 -9.236 1.00 0.00 H new ATOM 148 N ALA A 9 119.777 -1.023 -5.803 1.00 0.00 N ATOM 149 CA ALA A 9 120.043 -0.800 -4.379 1.00 0.00 C ATOM 150 C ALA A 9 118.759 -0.665 -3.559 1.00 0.00 C ATOM 151 O ALA A 9 118.316 -1.627 -2.929 1.00 0.00 O ATOM 152 CB ALA A 9 120.940 0.419 -4.198 1.00 0.00 C ATOM 0 H ALA A 9 120.560 -1.441 -6.306 1.00 0.00 H new ATOM 0 HA ALA A 9 120.561 -1.681 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.131 0.576 -3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 9 121.885 0.256 -4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.446 1.299 -4.611 1.00 0.00 H new ATOM 158 N ARG A 10 118.164 0.529 -3.566 1.00 0.00 N ATOM 159 CA ARG A 10 116.935 0.782 -2.819 1.00 0.00 C ATOM 160 C ARG A 10 116.047 -0.458 -2.775 1.00 0.00 C ATOM 161 O ARG A 10 115.901 -1.092 -1.729 1.00 0.00 O ATOM 162 CB ARG A 10 116.167 1.948 -3.445 1.00 0.00 C ATOM 163 CG ARG A 10 116.078 3.173 -2.549 1.00 0.00 C ATOM 164 CD ARG A 10 116.827 4.354 -3.146 1.00 0.00 C ATOM 165 NE ARG A 10 116.041 5.583 -3.097 1.00 0.00 N ATOM 166 CZ ARG A 10 116.523 6.778 -3.418 1.00 0.00 C ATOM 167 NH1 ARG A 10 117.784 6.903 -3.811 1.00 0.00 N ATOM 168 NH2 ARG A 10 115.746 7.850 -3.347 1.00 0.00 N ATOM 0 H ARG A 10 118.515 1.336 -4.082 1.00 0.00 H new ATOM 0 HA ARG A 10 117.213 1.039 -1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 10 116.649 2.228 -4.381 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.159 1.616 -3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 10 115.032 3.441 -2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 10 116.489 2.938 -1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 10 117.762 4.500 -2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 10 117.088 4.132 -4.181 1.00 0.00 H new ATOM 0 HE ARG A 10 115.067 5.520 -2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 10 118.385 6.081 -3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 10 118.153 7.822 -4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 10 114.776 7.758 -3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 10 116.118 8.767 -3.594 1.00 0.00 H new ATOM 182 N GLU A 11 115.456 -0.796 -3.914 1.00 0.00 N ATOM 183 CA GLU A 11 114.579 -1.958 -4.007 1.00 0.00 C ATOM 184 C GLU A 11 115.328 -3.239 -3.653 1.00 0.00 C ATOM 185 O GLU A 11 114.778 -4.135 -3.015 1.00 0.00 O ATOM 186 CB GLU A 11 113.995 -2.068 -5.417 1.00 0.00 C ATOM 187 CG GLU A 11 113.637 -0.727 -6.035 1.00 0.00 C ATOM 188 CD GLU A 11 114.756 -0.161 -6.887 1.00 0.00 C ATOM 189 OE1 GLU A 11 115.389 -0.940 -7.630 1.00 0.00 O ATOM 190 OE2 GLU A 11 114.998 1.062 -6.811 1.00 0.00 O ATOM 0 H GLU A 11 115.568 -0.282 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 11 113.767 -1.827 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 11 114.715 -2.574 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 11 113.102 -2.693 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 11 112.742 -0.840 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 11 113.395 -0.019 -5.243 1.00 0.00 H new ATOM 197 N CYS A 12 116.586 -3.318 -4.073 1.00 0.00 N ATOM 198 CA CYS A 12 117.411 -4.490 -3.803 1.00 0.00 C ATOM 199 C CYS A 12 117.621 -4.676 -2.305 1.00 0.00 C ATOM 200 O CYS A 12 117.766 -5.799 -1.821 1.00 0.00 O ATOM 201 CB CYS A 12 118.763 -4.360 -4.506 1.00 0.00 C ATOM 202 SG CYS A 12 119.870 -5.764 -4.243 1.00 0.00 S ATOM 0 H CYS A 12 117.057 -2.584 -4.602 1.00 0.00 H new ATOM 0 HA CYS A 12 116.890 -5.366 -4.189 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.594 -4.240 -5.576 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.256 -3.452 -4.157 1.00 0.00 H new ATOM 0 HG CYS A 12 119.521 -6.395 -3.161 1.00 0.00 H new ATOM 208 N ALA A 13 117.645 -3.566 -1.576 1.00 0.00 N ATOM 209 CA ALA A 13 117.850 -3.602 -0.134 1.00 0.00 C ATOM 210 C ALA A 13 116.735 -4.368 0.572 1.00 0.00 C ATOM 211 O ALA A 13 116.966 -5.000 1.604 1.00 0.00 O ATOM 212 CB ALA A 13 117.965 -2.188 0.417 1.00 0.00 C ATOM 0 H ALA A 13 117.525 -2.629 -1.961 1.00 0.00 H new ATOM 0 HA ALA A 13 118.783 -4.132 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 13 118.118 -2.229 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 13 118.810 -1.683 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 13 117.049 -1.638 0.201 1.00 0.00 H new ATOM 218 N VAL A 14 115.529 -4.317 0.016 1.00 0.00 N ATOM 219 CA VAL A 14 114.396 -5.016 0.611 1.00 0.00 C ATOM 220 C VAL A 14 114.677 -6.512 0.722 1.00 0.00 C ATOM 221 O VAL A 14 114.270 -7.159 1.686 1.00 0.00 O ATOM 222 CB VAL A 14 113.104 -4.796 -0.199 1.00 0.00 C ATOM 223 CG1 VAL A 14 112.845 -3.311 -0.392 1.00 0.00 C ATOM 224 CG2 VAL A 14 113.179 -5.507 -1.541 1.00 0.00 C ATOM 0 H VAL A 14 115.312 -3.804 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 14 114.254 -4.601 1.609 1.00 0.00 H new ATOM 0 HB VAL A 14 112.272 -5.221 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 14 111.929 -3.173 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 14 112.740 -2.831 0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 14 113.681 -2.863 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 14 112.256 -5.337 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 14 114.022 -5.118 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 14 113.314 -6.576 -1.379 1.00 0.00 H new ATOM 234 N GLN A 15 115.396 -7.049 -0.259 1.00 0.00 N ATOM 235 CA GLN A 15 115.752 -8.459 -0.261 1.00 0.00 C ATOM 236 C GLN A 15 116.534 -8.785 0.996 1.00 0.00 C ATOM 237 O GLN A 15 116.295 -9.800 1.650 1.00 0.00 O ATOM 238 CB GLN A 15 116.586 -8.801 -1.499 1.00 0.00 C ATOM 239 CG GLN A 15 115.802 -8.740 -2.798 1.00 0.00 C ATOM 240 CD GLN A 15 114.343 -9.106 -2.617 1.00 0.00 C ATOM 241 OE1 GLN A 15 114.017 -10.186 -2.123 1.00 0.00 O ATOM 242 NE2 GLN A 15 113.453 -8.206 -3.017 1.00 0.00 N ATOM 0 H GLN A 15 115.743 -6.526 -1.063 1.00 0.00 H new ATOM 0 HA GLN A 15 114.839 -9.054 -0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 15 117.428 -8.112 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 15 117.001 -9.802 -1.382 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.872 -7.734 -3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 15 116.255 -9.416 -3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 15 113.766 -7.323 -3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.456 -8.397 -2.920 1.00 0.00 H new ATOM 251 N ALA A 16 117.455 -7.893 1.345 1.00 0.00 N ATOM 252 CA ALA A 16 118.255 -8.063 2.542 1.00 0.00 C ATOM 253 C ALA A 16 117.362 -7.954 3.761 1.00 0.00 C ATOM 254 O ALA A 16 117.557 -8.654 4.754 1.00 0.00 O ATOM 255 CB ALA A 16 119.361 -7.028 2.591 1.00 0.00 C ATOM 0 H ALA A 16 117.662 -7.047 0.814 1.00 0.00 H new ATOM 0 HA ALA A 16 118.720 -9.049 2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 16 119.952 -7.170 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 16 120.003 -7.140 1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 16 118.925 -6.029 2.595 1.00 0.00 H new ATOM 261 N LEU A 17 116.350 -7.095 3.661 1.00 0.00 N ATOM 262 CA LEU A 17 115.405 -6.928 4.746 1.00 0.00 C ATOM 263 C LEU A 17 114.753 -8.268 5.010 1.00 0.00 C ATOM 264 O LEU A 17 114.448 -8.618 6.150 1.00 0.00 O ATOM 265 CB LEU A 17 114.348 -5.878 4.391 1.00 0.00 C ATOM 266 CG LEU A 17 114.458 -4.562 5.164 1.00 0.00 C ATOM 267 CD1 LEU A 17 113.854 -3.420 4.363 1.00 0.00 C ATOM 268 CD2 LEU A 17 113.778 -4.684 6.520 1.00 0.00 C ATOM 0 H LEU A 17 116.170 -6.511 2.844 1.00 0.00 H new ATOM 0 HA LEU A 17 115.924 -6.579 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 17 114.416 -5.662 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.361 -6.304 4.568 1.00 0.00 H new ATOM 0 HG LEU A 17 115.514 -4.344 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 17 113.942 -2.493 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 17 114.385 -3.319 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 17 112.802 -3.628 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 17 113.865 -3.740 7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 17 112.724 -4.925 6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 17 114.257 -5.475 7.097 1.00 0.00 H new ATOM 280 N TYR A 18 114.579 -9.035 3.937 1.00 0.00 N ATOM 281 CA TYR A 18 114.006 -10.366 4.045 1.00 0.00 C ATOM 282 C TYR A 18 115.006 -11.293 4.730 1.00 0.00 C ATOM 283 O TYR A 18 114.640 -12.108 5.576 1.00 0.00 O ATOM 284 CB TYR A 18 113.643 -10.910 2.662 1.00 0.00 C ATOM 285 CG TYR A 18 112.996 -12.275 2.697 1.00 0.00 C ATOM 286 CD1 TYR A 18 112.100 -12.616 3.703 1.00 0.00 C ATOM 287 CD2 TYR A 18 113.281 -13.225 1.724 1.00 0.00 C ATOM 288 CE1 TYR A 18 111.508 -13.864 3.739 1.00 0.00 C ATOM 289 CE2 TYR A 18 112.692 -14.475 1.752 1.00 0.00 C ATOM 290 CZ TYR A 18 111.806 -14.790 2.761 1.00 0.00 C ATOM 291 OH TYR A 18 111.218 -16.033 2.793 1.00 0.00 O ATOM 0 H TYR A 18 114.827 -8.756 2.988 1.00 0.00 H new ATOM 0 HA TYR A 18 113.094 -10.313 4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.967 -10.210 2.172 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.546 -10.961 2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 18 111.862 -11.893 4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 18 113.975 -12.983 0.932 1.00 0.00 H new ATOM 0 HE1 TYR A 18 110.815 -14.113 4.529 1.00 0.00 H new ATOM 0 HE2 TYR A 18 112.924 -15.202 0.988 1.00 0.00 H new ATOM 0 HH TYR A 18 111.534 -16.564 2.032 1.00 0.00 H new ATOM 301 N SER A 19 116.278 -11.144 4.360 1.00 0.00 N ATOM 302 CA SER A 19 117.351 -11.947 4.938 1.00 0.00 C ATOM 303 C SER A 19 117.583 -11.560 6.395 1.00 0.00 C ATOM 304 O SER A 19 117.944 -12.395 7.223 1.00 0.00 O ATOM 305 CB SER A 19 118.642 -11.766 4.137 1.00 0.00 C ATOM 306 OG SER A 19 119.589 -12.770 4.462 1.00 0.00 O ATOM 0 H SER A 19 116.589 -10.471 3.659 1.00 0.00 H new ATOM 0 HA SER A 19 117.055 -12.995 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 19 118.420 -11.803 3.070 1.00 0.00 H new ATOM 0 HB3 SER A 19 119.065 -10.783 4.341 1.00 0.00 H new ATOM 0 HG SER A 19 120.404 -12.633 3.936 1.00 0.00 H new ATOM 312 N TRP A 20 117.374 -10.282 6.694 1.00 0.00 N ATOM 313 CA TRP A 20 117.559 -9.765 8.046 1.00 0.00 C ATOM 314 C TRP A 20 116.634 -10.473 9.027 1.00 0.00 C ATOM 315 O TRP A 20 117.062 -10.934 10.084 1.00 0.00 O ATOM 316 CB TRP A 20 117.256 -8.268 8.072 1.00 0.00 C ATOM 317 CG TRP A 20 117.741 -7.576 9.311 1.00 0.00 C ATOM 318 CD1 TRP A 20 118.806 -7.930 10.087 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.172 -6.408 9.915 1.00 0.00 C ATOM 320 NE1 TRP A 20 118.940 -7.049 11.134 1.00 0.00 N ATOM 321 CE2 TRP A 20 117.947 -6.106 11.053 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.083 -5.587 9.605 1.00 0.00 C ATOM 323 CZ2 TRP A 20 117.668 -5.016 11.876 1.00 0.00 C ATOM 324 CZ3 TRP A 20 115.808 -4.508 10.424 1.00 0.00 C ATOM 325 CH2 TRP A 20 116.598 -4.230 11.547 1.00 0.00 C ATOM 0 H TRP A 20 117.075 -9.582 6.015 1.00 0.00 H new ATOM 0 HA TRP A 20 118.593 -9.943 8.340 1.00 0.00 H new ATOM 0 HB2 TRP A 20 117.714 -7.798 7.201 1.00 0.00 H new ATOM 0 HB3 TRP A 20 116.179 -8.123 7.983 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.450 -8.778 9.905 1.00 0.00 H new ATOM 0 HE1 TRP A 20 119.661 -7.090 11.854 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.468 -5.792 8.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 118.275 -4.800 12.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 114.969 -3.868 10.194 1.00 0.00 H new ATOM 0 HH2 TRP A 20 116.357 -3.378 12.165 1.00 0.00 H new ATOM 336 N GLN A 21 115.361 -10.545 8.666 1.00 0.00 N ATOM 337 CA GLN A 21 114.356 -11.186 9.507 1.00 0.00 C ATOM 338 C GLN A 21 114.671 -12.665 9.722 1.00 0.00 C ATOM 339 O GLN A 21 114.671 -13.150 10.853 1.00 0.00 O ATOM 340 CB GLN A 21 112.969 -11.037 8.880 1.00 0.00 C ATOM 341 CG GLN A 21 111.885 -10.665 9.879 1.00 0.00 C ATOM 342 CD GLN A 21 111.609 -11.772 10.878 1.00 0.00 C ATOM 343 OE1 GLN A 21 112.169 -11.788 11.974 1.00 0.00 O ATOM 344 NE2 GLN A 21 110.741 -12.705 10.503 1.00 0.00 N ATOM 0 H GLN A 21 114.997 -10.166 7.792 1.00 0.00 H new ATOM 0 HA GLN A 21 114.369 -10.691 10.478 1.00 0.00 H new ATOM 0 HB2 GLN A 21 113.011 -10.275 8.102 1.00 0.00 H new ATOM 0 HB3 GLN A 21 112.697 -11.974 8.394 1.00 0.00 H new ATOM 0 HG2 GLN A 21 112.183 -9.763 10.414 1.00 0.00 H new ATOM 0 HG3 GLN A 21 110.967 -10.428 9.342 1.00 0.00 H new ATOM 0 HE21 GLN A 21 110.300 -12.652 9.585 1.00 0.00 H new ATOM 0 HE22 GLN A 21 110.515 -13.474 11.133 1.00 0.00 H new ATOM 353 N LEU A 22 114.933 -13.377 8.631 1.00 0.00 N ATOM 354 CA LEU A 22 115.240 -14.802 8.704 1.00 0.00 C ATOM 355 C LEU A 22 116.655 -15.037 9.224 1.00 0.00 C ATOM 356 O LEU A 22 116.866 -15.841 10.133 1.00 0.00 O ATOM 357 CB LEU A 22 115.078 -15.450 7.328 1.00 0.00 C ATOM 358 CG LEU A 22 113.709 -15.249 6.675 1.00 0.00 C ATOM 359 CD1 LEU A 22 113.538 -16.191 5.493 1.00 0.00 C ATOM 360 CD2 LEU A 22 112.598 -15.462 7.692 1.00 0.00 C ATOM 0 H LEU A 22 114.939 -12.992 7.687 1.00 0.00 H new ATOM 0 HA LEU A 22 114.539 -15.259 9.402 1.00 0.00 H new ATOM 0 HB2 LEU A 22 115.843 -15.050 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 22 115.265 -16.520 7.423 1.00 0.00 H new ATOM 0 HG LEU A 22 113.649 -14.224 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 22 112.559 -16.034 5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 22 114.315 -15.993 4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 22 113.618 -17.223 5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 22 111.631 -15.315 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 22 112.656 -16.476 8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 22 112.710 -14.748 8.508 1.00 0.00 H new ATOM 372 N SER A 23 117.620 -14.336 8.642 1.00 0.00 N ATOM 373 CA SER A 23 119.016 -14.473 9.046 1.00 0.00 C ATOM 374 C SER A 23 119.264 -13.803 10.394 1.00 0.00 C ATOM 375 O SER A 23 120.206 -14.150 11.106 1.00 0.00 O ATOM 376 CB SER A 23 119.937 -13.869 7.986 1.00 0.00 C ATOM 377 OG SER A 23 121.166 -14.570 7.918 1.00 0.00 O ATOM 0 H SER A 23 117.463 -13.667 7.889 1.00 0.00 H new ATOM 0 HA SER A 23 119.235 -15.536 9.145 1.00 0.00 H new ATOM 0 HB2 SER A 23 119.445 -13.897 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 23 120.125 -12.821 8.218 1.00 0.00 H new ATOM 0 HG SER A 23 121.632 -14.497 8.777 1.00 0.00 H new ATOM 383 N GLN A 24 118.415 -12.841 10.737 1.00 0.00 N ATOM 384 CA GLN A 24 118.544 -12.122 11.999 1.00 0.00 C ATOM 385 C GLN A 24 119.926 -11.487 12.122 1.00 0.00 C ATOM 386 O GLN A 24 120.428 -11.276 13.226 1.00 0.00 O ATOM 387 CB GLN A 24 118.297 -13.066 13.177 1.00 0.00 C ATOM 388 CG GLN A 24 116.844 -13.483 13.328 1.00 0.00 C ATOM 389 CD GLN A 24 116.093 -12.625 14.326 1.00 0.00 C ATOM 390 OE1 GLN A 24 116.691 -11.856 15.078 1.00 0.00 O ATOM 391 NE2 GLN A 24 114.770 -12.753 14.338 1.00 0.00 N ATOM 0 H GLN A 24 117.630 -12.541 10.159 1.00 0.00 H new ATOM 0 HA GLN A 24 117.796 -11.330 12.016 1.00 0.00 H new ATOM 0 HB2 GLN A 24 118.911 -13.958 13.052 1.00 0.00 H new ATOM 0 HB3 GLN A 24 118.624 -12.580 14.096 1.00 0.00 H new ATOM 0 HG2 GLN A 24 116.350 -13.423 12.358 1.00 0.00 H new ATOM 0 HG3 GLN A 24 116.800 -14.525 13.644 1.00 0.00 H new ATOM 0 HE21 GLN A 24 114.315 -13.403 13.697 1.00 0.00 H new ATOM 0 HE22 GLN A 24 114.210 -12.201 14.988 1.00 0.00 H new ATOM 400 N ASN A 25 120.537 -11.186 10.980 1.00 0.00 N ATOM 401 CA ASN A 25 121.862 -10.577 10.959 1.00 0.00 C ATOM 402 C ASN A 25 121.780 -9.083 11.255 1.00 0.00 C ATOM 403 O ASN A 25 120.851 -8.622 11.920 1.00 0.00 O ATOM 404 CB ASN A 25 122.529 -10.804 9.601 1.00 0.00 C ATOM 405 CG ASN A 25 122.430 -12.245 9.141 1.00 0.00 C ATOM 406 OD1 ASN A 25 121.869 -13.093 9.835 1.00 0.00 O ATOM 407 ND2 ASN A 25 122.977 -12.529 7.965 1.00 0.00 N ATOM 0 H ASN A 25 120.135 -11.354 10.058 1.00 0.00 H new ATOM 0 HA ASN A 25 122.464 -11.050 11.735 1.00 0.00 H new ATOM 0 HB2 ASN A 25 122.064 -10.156 8.858 1.00 0.00 H new ATOM 0 HB3 ASN A 25 123.579 -10.517 9.662 1.00 0.00 H new ATOM 0 HD21 ASN A 25 122.942 -13.482 7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 25 123.432 -11.794 7.423 1.00 0.00 H new ATOM 414 N ASP A 26 122.757 -8.331 10.758 1.00 0.00 N ATOM 415 CA ASP A 26 122.795 -6.889 10.971 1.00 0.00 C ATOM 416 C ASP A 26 121.731 -6.185 10.134 1.00 0.00 C ATOM 417 O ASP A 26 120.810 -5.586 10.683 1.00 0.00 O ATOM 418 CB ASP A 26 124.179 -6.338 10.623 1.00 0.00 C ATOM 419 CG ASP A 26 124.931 -5.848 11.844 1.00 0.00 C ATOM 420 OD1 ASP A 26 124.274 -5.374 12.796 1.00 0.00 O ATOM 421 OD2 ASP A 26 126.177 -5.937 11.851 1.00 0.00 O ATOM 0 H ASP A 26 123.532 -8.696 10.205 1.00 0.00 H new ATOM 0 HA ASP A 26 122.588 -6.698 12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 26 124.762 -7.115 10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 26 124.072 -5.518 9.912 1.00 0.00 H new ATOM 426 N ILE A 27 121.883 -6.274 8.809 1.00 0.00 N ATOM 427 CA ILE A 27 120.963 -5.662 7.840 1.00 0.00 C ATOM 428 C ILE A 27 121.632 -4.518 7.102 1.00 0.00 C ATOM 429 O ILE A 27 121.420 -4.332 5.904 1.00 0.00 O ATOM 430 CB ILE A 27 119.663 -5.126 8.482 1.00 0.00 C ATOM 431 CG1 ILE A 27 118.550 -4.962 7.437 1.00 0.00 C ATOM 432 CG2 ILE A 27 119.920 -3.790 9.167 1.00 0.00 C ATOM 433 CD1 ILE A 27 118.768 -5.742 6.157 1.00 0.00 C ATOM 0 H ILE A 27 122.655 -6.778 8.373 1.00 0.00 H new ATOM 0 HA ILE A 27 120.698 -6.464 7.151 1.00 0.00 H new ATOM 0 HB ILE A 27 119.337 -5.856 9.223 1.00 0.00 H new ATOM 0 HG12 ILE A 27 117.604 -5.274 7.880 1.00 0.00 H new ATOM 0 HG13 ILE A 27 118.454 -3.905 7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 27 118.995 -3.426 9.614 1.00 0.00 H new ATOM 0 HG22 ILE A 27 120.673 -3.919 9.945 1.00 0.00 H new ATOM 0 HG23 ILE A 27 120.277 -3.067 8.433 1.00 0.00 H new ATOM 0 HD11 ILE A 27 117.934 -5.567 5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 27 119.695 -5.416 5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 27 118.832 -6.806 6.386 1.00 0.00 H new ATOM 445 N ALA A 28 122.435 -3.747 7.819 1.00 0.00 N ATOM 446 CA ALA A 28 123.119 -2.619 7.217 1.00 0.00 C ATOM 447 C ALA A 28 124.170 -3.083 6.224 1.00 0.00 C ATOM 448 O ALA A 28 124.174 -2.655 5.080 1.00 0.00 O ATOM 449 CB ALA A 28 123.750 -1.747 8.291 1.00 0.00 C ATOM 0 H ALA A 28 122.627 -3.882 8.812 1.00 0.00 H new ATOM 0 HA ALA A 28 122.382 -2.027 6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.260 -0.905 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 28 122.974 -1.375 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 28 124.469 -2.335 8.861 1.00 0.00 H new ATOM 455 N ASP A 29 125.061 -3.953 6.674 1.00 0.00 N ATOM 456 CA ASP A 29 126.127 -4.474 5.823 1.00 0.00 C ATOM 457 C ASP A 29 125.633 -5.524 4.820 1.00 0.00 C ATOM 458 O ASP A 29 126.154 -5.621 3.713 1.00 0.00 O ATOM 459 CB ASP A 29 127.236 -5.075 6.688 1.00 0.00 C ATOM 460 CG ASP A 29 127.866 -4.053 7.613 1.00 0.00 C ATOM 461 OD1 ASP A 29 127.858 -2.853 7.266 1.00 0.00 O ATOM 462 OD2 ASP A 29 128.368 -4.452 8.685 1.00 0.00 O ATOM 0 H ASP A 29 125.069 -4.316 7.627 1.00 0.00 H new ATOM 0 HA ASP A 29 126.509 -3.632 5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 29 126.827 -5.894 7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 29 128.005 -5.501 6.044 1.00 0.00 H new ATOM 467 N VAL A 30 124.672 -6.346 5.237 1.00 0.00 N ATOM 468 CA VAL A 30 124.170 -7.441 4.398 1.00 0.00 C ATOM 469 C VAL A 30 123.550 -7.003 3.066 1.00 0.00 C ATOM 470 O VAL A 30 123.921 -7.522 2.012 1.00 0.00 O ATOM 471 CB VAL A 30 123.124 -8.282 5.163 1.00 0.00 C ATOM 472 CG1 VAL A 30 121.883 -7.459 5.460 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.755 -9.533 4.381 1.00 0.00 C ATOM 0 H VAL A 30 124.223 -6.277 6.150 1.00 0.00 H new ATOM 0 HA VAL A 30 125.058 -8.026 4.160 1.00 0.00 H new ATOM 0 HB VAL A 30 123.569 -8.589 6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.160 -8.072 5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.155 -6.598 6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.441 -7.116 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 30 122.017 -10.108 4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 30 122.337 -9.248 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.646 -10.141 4.225 1.00 0.00 H new ATOM 483 N GLU A 31 122.592 -6.087 3.100 1.00 0.00 N ATOM 484 CA GLU A 31 121.909 -5.668 1.869 1.00 0.00 C ATOM 485 C GLU A 31 122.873 -5.237 0.766 1.00 0.00 C ATOM 486 O GLU A 31 122.794 -5.724 -0.363 1.00 0.00 O ATOM 487 CB GLU A 31 120.922 -4.530 2.176 1.00 0.00 C ATOM 488 CG GLU A 31 121.173 -3.246 1.394 1.00 0.00 C ATOM 489 CD GLU A 31 120.973 -3.410 -0.101 1.00 0.00 C ATOM 490 OE1 GLU A 31 120.752 -4.554 -0.549 1.00 0.00 O ATOM 491 OE2 GLU A 31 121.039 -2.393 -0.824 1.00 0.00 O ATOM 0 H GLU A 31 122.269 -5.622 3.949 1.00 0.00 H new ATOM 0 HA GLU A 31 121.372 -6.540 1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 31 119.910 -4.877 1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 31 120.966 -4.306 3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 31 120.504 -2.468 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 31 122.191 -2.906 1.583 1.00 0.00 H new ATOM 498 N TYR A 32 123.756 -4.317 1.084 1.00 0.00 N ATOM 499 CA TYR A 32 124.716 -3.799 0.114 1.00 0.00 C ATOM 500 C TYR A 32 125.801 -4.810 -0.226 1.00 0.00 C ATOM 501 O TYR A 32 126.376 -4.763 -1.314 1.00 0.00 O ATOM 502 CB TYR A 32 125.312 -2.490 0.625 1.00 0.00 C ATOM 503 CG TYR A 32 124.277 -1.630 1.306 1.00 0.00 C ATOM 504 CD1 TYR A 32 123.937 -1.868 2.623 1.00 0.00 C ATOM 505 CD2 TYR A 32 123.616 -0.612 0.631 1.00 0.00 C ATOM 506 CE1 TYR A 32 122.971 -1.124 3.264 1.00 0.00 C ATOM 507 CE2 TYR A 32 122.645 0.141 1.260 1.00 0.00 C ATOM 508 CZ TYR A 32 122.326 -0.118 2.577 1.00 0.00 C ATOM 509 OH TYR A 32 121.360 0.630 3.203 1.00 0.00 O ATOM 0 H TYR A 32 123.835 -3.904 2.013 1.00 0.00 H new ATOM 0 HA TYR A 32 124.181 -3.605 -0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 32 126.120 -2.707 1.323 1.00 0.00 H new ATOM 0 HB3 TYR A 32 125.750 -1.940 -0.208 1.00 0.00 H new ATOM 0 HD1 TYR A 32 124.440 -2.656 3.163 1.00 0.00 H new ATOM 0 HD2 TYR A 32 123.865 -0.407 -0.400 1.00 0.00 H new ATOM 0 HE1 TYR A 32 122.721 -1.327 4.295 1.00 0.00 H new ATOM 0 HE2 TYR A 32 122.137 0.929 0.724 1.00 0.00 H new ATOM 0 HH TYR A 32 121.431 1.564 2.914 1.00 0.00 H new ATOM 519 N GLN A 33 126.088 -5.724 0.695 1.00 0.00 N ATOM 520 CA GLN A 33 127.114 -6.726 0.449 1.00 0.00 C ATOM 521 C GLN A 33 126.627 -7.724 -0.592 1.00 0.00 C ATOM 522 O GLN A 33 127.414 -8.266 -1.369 1.00 0.00 O ATOM 523 CB GLN A 33 127.508 -7.428 1.746 1.00 0.00 C ATOM 524 CG GLN A 33 126.635 -8.624 2.089 1.00 0.00 C ATOM 525 CD GLN A 33 127.279 -9.942 1.710 1.00 0.00 C ATOM 526 OE1 GLN A 33 126.840 -10.616 0.779 1.00 0.00 O ATOM 527 NE2 GLN A 33 128.328 -10.318 2.433 1.00 0.00 N ATOM 0 H GLN A 33 125.632 -5.791 1.605 1.00 0.00 H new ATOM 0 HA GLN A 33 128.004 -6.231 0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 33 128.544 -7.757 1.669 1.00 0.00 H new ATOM 0 HB3 GLN A 33 127.462 -6.710 2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 33 126.424 -8.621 3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 33 125.678 -8.530 1.575 1.00 0.00 H new ATOM 0 HE21 GLN A 33 128.659 -9.728 3.197 1.00 0.00 H new ATOM 0 HE22 GLN A 33 128.803 -11.196 2.225 1.00 0.00 H new ATOM 536 N PHE A 34 125.317 -7.937 -0.618 1.00 0.00 N ATOM 537 CA PHE A 34 124.705 -8.841 -1.581 1.00 0.00 C ATOM 538 C PHE A 34 125.036 -8.386 -2.996 1.00 0.00 C ATOM 539 O PHE A 34 125.216 -9.199 -3.902 1.00 0.00 O ATOM 540 CB PHE A 34 123.188 -8.873 -1.385 1.00 0.00 C ATOM 541 CG PHE A 34 122.468 -9.758 -2.363 1.00 0.00 C ATOM 542 CD1 PHE A 34 122.449 -9.447 -3.714 1.00 0.00 C ATOM 543 CD2 PHE A 34 121.810 -10.898 -1.932 1.00 0.00 C ATOM 544 CE1 PHE A 34 121.786 -10.257 -4.615 1.00 0.00 C ATOM 545 CE2 PHE A 34 121.145 -11.711 -2.829 1.00 0.00 C ATOM 546 CZ PHE A 34 121.133 -11.391 -4.172 1.00 0.00 C ATOM 0 H PHE A 34 124.657 -7.493 0.020 1.00 0.00 H new ATOM 0 HA PHE A 34 125.100 -9.845 -1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 34 122.969 -9.213 -0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 34 122.798 -7.859 -1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 34 122.958 -8.562 -4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 34 121.817 -11.154 -0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 34 121.778 -10.004 -5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 34 120.635 -12.597 -2.480 1.00 0.00 H new ATOM 0 HZ PHE A 34 120.614 -12.026 -4.875 1.00 0.00 H new ATOM 556 N LEU A 35 125.112 -7.070 -3.167 1.00 0.00 N ATOM 557 CA LEU A 35 125.421 -6.475 -4.462 1.00 0.00 C ATOM 558 C LEU A 35 126.765 -6.977 -4.982 1.00 0.00 C ATOM 559 O LEU A 35 127.052 -6.890 -6.176 1.00 0.00 O ATOM 560 CB LEU A 35 125.446 -4.947 -4.353 1.00 0.00 C ATOM 561 CG LEU A 35 124.257 -4.323 -3.616 1.00 0.00 C ATOM 562 CD1 LEU A 35 124.650 -2.987 -3.000 1.00 0.00 C ATOM 563 CD2 LEU A 35 123.078 -4.149 -4.562 1.00 0.00 C ATOM 0 H LEU A 35 124.963 -6.392 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 35 124.642 -6.771 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 35 126.363 -4.651 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 35 125.489 -4.528 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 35 123.958 -4.996 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 35 123.792 -2.559 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 35 125.464 -3.139 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 35 124.975 -2.305 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 35 122.241 -3.705 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 35 123.366 -3.497 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 35 122.781 -5.121 -4.955 1.00 0.00 H new ATOM 575 N ALA A 36 127.585 -7.504 -4.080 1.00 0.00 N ATOM 576 CA ALA A 36 128.897 -8.019 -4.452 1.00 0.00 C ATOM 577 C ALA A 36 128.768 -9.170 -5.444 1.00 0.00 C ATOM 578 O ALA A 36 129.748 -9.576 -6.070 1.00 0.00 O ATOM 579 CB ALA A 36 129.659 -8.469 -3.214 1.00 0.00 C ATOM 0 H ALA A 36 127.365 -7.586 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 36 129.454 -7.216 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 36 130.637 -8.851 -3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 36 129.788 -7.623 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 36 129.099 -9.255 -2.708 1.00 0.00 H new ATOM 585 N GLU A 37 127.552 -9.687 -5.585 1.00 0.00 N ATOM 586 CA GLU A 37 127.290 -10.788 -6.505 1.00 0.00 C ATOM 587 C GLU A 37 127.427 -10.325 -7.952 1.00 0.00 C ATOM 588 O GLU A 37 128.175 -9.391 -8.244 1.00 0.00 O ATOM 589 CB GLU A 37 125.889 -11.353 -6.265 1.00 0.00 C ATOM 590 CG GLU A 37 125.848 -12.870 -6.198 1.00 0.00 C ATOM 591 CD GLU A 37 124.436 -13.411 -6.087 1.00 0.00 C ATOM 592 OE1 GLU A 37 123.672 -13.285 -7.068 1.00 0.00 O ATOM 593 OE2 GLU A 37 124.093 -13.960 -5.020 1.00 0.00 O ATOM 0 H GLU A 37 126.732 -9.361 -5.074 1.00 0.00 H new ATOM 0 HA GLU A 37 128.025 -11.572 -6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 37 125.497 -10.946 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 37 125.228 -11.015 -7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 37 126.322 -13.282 -7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 37 126.431 -13.208 -5.341 1.00 0.00 H new ATOM 600 N GLN A 38 126.703 -10.980 -8.855 1.00 0.00 N ATOM 601 CA GLN A 38 126.746 -10.628 -10.270 1.00 0.00 C ATOM 602 C GLN A 38 126.893 -9.121 -10.448 1.00 0.00 C ATOM 603 O GLN A 38 125.933 -8.369 -10.286 1.00 0.00 O ATOM 604 CB GLN A 38 125.480 -11.115 -10.978 1.00 0.00 C ATOM 605 CG GLN A 38 125.686 -12.384 -11.789 1.00 0.00 C ATOM 606 CD GLN A 38 124.860 -12.402 -13.060 1.00 0.00 C ATOM 607 OE1 GLN A 38 123.728 -11.916 -13.086 1.00 0.00 O ATOM 608 NE2 GLN A 38 125.421 -12.964 -14.124 1.00 0.00 N ATOM 0 H GLN A 38 126.080 -11.756 -8.632 1.00 0.00 H new ATOM 0 HA GLN A 38 127.613 -11.117 -10.715 1.00 0.00 H new ATOM 0 HB2 GLN A 38 124.703 -11.291 -10.234 1.00 0.00 H new ATOM 0 HB3 GLN A 38 125.117 -10.327 -11.638 1.00 0.00 H new ATOM 0 HG2 GLN A 38 126.741 -12.481 -12.044 1.00 0.00 H new ATOM 0 HG3 GLN A 38 125.425 -13.248 -11.178 1.00 0.00 H new ATOM 0 HE21 GLN A 38 126.361 -13.354 -14.058 1.00 0.00 H new ATOM 0 HE22 GLN A 38 124.912 -13.005 -15.007 1.00 0.00 H new ATOM 617 N ASP A 39 128.106 -8.685 -10.775 1.00 0.00 N ATOM 618 CA ASP A 39 128.383 -7.268 -10.967 1.00 0.00 C ATOM 619 C ASP A 39 127.641 -6.424 -9.929 1.00 0.00 C ATOM 620 O ASP A 39 127.919 -6.533 -8.733 1.00 0.00 O ATOM 621 CB ASP A 39 128.011 -6.840 -12.387 1.00 0.00 C ATOM 622 CG ASP A 39 128.684 -7.694 -13.444 1.00 0.00 C ATOM 623 OD1 ASP A 39 128.232 -8.839 -13.658 1.00 0.00 O ATOM 624 OD2 ASP A 39 129.661 -7.218 -14.058 1.00 0.00 O ATOM 0 H ASP A 39 128.912 -9.294 -10.912 1.00 0.00 H new ATOM 0 HA ASP A 39 129.452 -7.104 -10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 39 126.930 -6.900 -12.510 1.00 0.00 H new ATOM 0 HB3 ASP A 39 128.291 -5.797 -12.534 1.00 0.00 H new ATOM 629 N VAL A 40 126.711 -5.574 -10.376 1.00 0.00 N ATOM 630 CA VAL A 40 125.964 -4.716 -9.464 1.00 0.00 C ATOM 631 C VAL A 40 126.851 -4.252 -8.316 1.00 0.00 C ATOM 632 O VAL A 40 126.381 -4.021 -7.202 1.00 0.00 O ATOM 633 CB VAL A 40 124.722 -5.426 -8.894 1.00 0.00 C ATOM 634 CG1 VAL A 40 123.960 -6.142 -9.998 1.00 0.00 C ATOM 635 CG2 VAL A 40 125.115 -6.396 -7.790 1.00 0.00 C ATOM 0 H VAL A 40 126.462 -5.465 -11.359 1.00 0.00 H new ATOM 0 HA VAL A 40 125.630 -3.854 -10.041 1.00 0.00 H new ATOM 0 HB VAL A 40 124.065 -4.671 -8.462 1.00 0.00 H new ATOM 0 HG11 VAL A 40 123.086 -6.637 -9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.639 -5.418 -10.747 1.00 0.00 H new ATOM 0 HG13 VAL A 40 124.607 -6.885 -10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 40 124.222 -6.886 -7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 40 125.796 -7.147 -8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 40 125.609 -5.851 -6.985 1.00 0.00 H new ATOM 645 N LYS A 41 128.140 -4.115 -8.607 1.00 0.00 N ATOM 646 CA LYS A 41 129.113 -3.674 -7.620 1.00 0.00 C ATOM 647 C LYS A 41 129.877 -2.471 -8.150 1.00 0.00 C ATOM 648 O LYS A 41 130.162 -1.528 -7.412 1.00 0.00 O ATOM 649 CB LYS A 41 130.086 -4.807 -7.284 1.00 0.00 C ATOM 650 CG LYS A 41 131.305 -4.351 -6.501 1.00 0.00 C ATOM 651 CD LYS A 41 130.964 -4.091 -5.042 1.00 0.00 C ATOM 652 CE LYS A 41 131.222 -2.642 -4.659 1.00 0.00 C ATOM 653 NZ LYS A 41 130.626 -2.302 -3.338 1.00 0.00 N ATOM 0 H LYS A 41 128.536 -4.306 -9.528 1.00 0.00 H new ATOM 0 HA LYS A 41 128.584 -3.390 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 41 129.559 -5.568 -6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 41 130.415 -5.278 -8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 41 132.084 -5.110 -6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 41 131.708 -3.443 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 41 129.917 -4.335 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 41 131.557 -4.748 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 41 132.296 -2.460 -4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 41 130.808 -1.985 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 130.795 -1.297 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 129.602 -2.483 -3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 131.064 -2.888 -2.598 1.00 0.00 H new ATOM 667 N ASP A 42 130.190 -2.504 -9.443 1.00 0.00 N ATOM 668 CA ASP A 42 130.904 -1.404 -10.076 1.00 0.00 C ATOM 669 C ASP A 42 130.193 -0.086 -9.789 1.00 0.00 C ATOM 670 O ASP A 42 130.790 0.988 -9.866 1.00 0.00 O ATOM 671 CB ASP A 42 131.003 -1.630 -11.586 1.00 0.00 C ATOM 672 CG ASP A 42 131.917 -2.786 -11.941 1.00 0.00 C ATOM 673 OD1 ASP A 42 132.457 -3.422 -11.011 1.00 0.00 O ATOM 674 OD2 ASP A 42 132.092 -3.056 -13.147 1.00 0.00 O ATOM 0 H ASP A 42 129.961 -3.277 -10.068 1.00 0.00 H new ATOM 0 HA ASP A 42 131.912 -1.360 -9.664 1.00 0.00 H new ATOM 0 HB2 ASP A 42 130.008 -1.821 -11.988 1.00 0.00 H new ATOM 0 HB3 ASP A 42 131.370 -0.721 -12.063 1.00 0.00 H new ATOM 679 N VAL A 43 128.909 -0.184 -9.453 1.00 0.00 N ATOM 680 CA VAL A 43 128.102 0.989 -9.144 1.00 0.00 C ATOM 681 C VAL A 43 128.247 1.380 -7.678 1.00 0.00 C ATOM 682 O VAL A 43 127.650 0.757 -6.800 1.00 0.00 O ATOM 683 CB VAL A 43 126.613 0.738 -9.452 1.00 0.00 C ATOM 684 CG1 VAL A 43 126.396 0.579 -10.949 1.00 0.00 C ATOM 685 CG2 VAL A 43 126.110 -0.486 -8.699 1.00 0.00 C ATOM 0 H VAL A 43 128.405 -1.069 -9.388 1.00 0.00 H new ATOM 0 HA VAL A 43 128.465 1.802 -9.773 1.00 0.00 H new ATOM 0 HB VAL A 43 126.041 1.603 -9.116 1.00 0.00 H new ATOM 0 HG11 VAL A 43 125.339 0.403 -11.147 1.00 0.00 H new ATOM 0 HG12 VAL A 43 126.714 1.487 -11.461 1.00 0.00 H new ATOM 0 HG13 VAL A 43 126.979 -0.267 -11.313 1.00 0.00 H new ATOM 0 HG21 VAL A 43 125.057 -0.647 -8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 43 126.686 -1.361 -9.001 1.00 0.00 H new ATOM 0 HG23 VAL A 43 126.227 -0.327 -7.627 1.00 0.00 H new ATOM 695 N ASP A 44 129.045 2.411 -7.421 1.00 0.00 N ATOM 696 CA ASP A 44 129.275 2.885 -6.059 1.00 0.00 C ATOM 697 C ASP A 44 128.021 2.729 -5.204 1.00 0.00 C ATOM 698 O ASP A 44 127.000 3.369 -5.457 1.00 0.00 O ATOM 699 CB ASP A 44 129.715 4.350 -6.075 1.00 0.00 C ATOM 700 CG ASP A 44 131.218 4.504 -5.963 1.00 0.00 C ATOM 701 OD1 ASP A 44 131.746 4.366 -4.839 1.00 0.00 O ATOM 702 OD2 ASP A 44 131.868 4.762 -6.998 1.00 0.00 O ATOM 0 H ASP A 44 129.545 2.936 -8.139 1.00 0.00 H new ATOM 0 HA ASP A 44 130.067 2.277 -5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 44 129.372 4.819 -6.997 1.00 0.00 H new ATOM 0 HB3 ASP A 44 129.236 4.879 -5.251 1.00 0.00 H new ATOM 707 N VAL A 45 128.106 1.875 -4.188 1.00 0.00 N ATOM 708 CA VAL A 45 126.980 1.636 -3.293 1.00 0.00 C ATOM 709 C VAL A 45 127.394 1.772 -1.833 1.00 0.00 C ATOM 710 O VAL A 45 126.580 1.584 -0.929 1.00 0.00 O ATOM 711 CB VAL A 45 126.381 0.236 -3.495 1.00 0.00 C ATOM 712 CG1 VAL A 45 125.111 0.310 -4.329 1.00 0.00 C ATOM 713 CG2 VAL A 45 127.397 -0.697 -4.134 1.00 0.00 C ATOM 0 H VAL A 45 128.943 1.337 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 45 126.231 2.390 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 45 126.120 -0.169 -2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 45 124.703 -0.692 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 45 124.378 0.937 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 45 125.341 0.739 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 45 126.952 -1.683 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 45 127.697 -0.299 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 45 128.272 -0.779 -3.489 1.00 0.00 H new ATOM 723 N LEU A 46 128.660 2.095 -1.605 1.00 0.00 N ATOM 724 CA LEU A 46 129.170 2.247 -0.249 1.00 0.00 C ATOM 725 C LEU A 46 128.340 3.269 0.514 1.00 0.00 C ATOM 726 O LEU A 46 127.988 3.056 1.675 1.00 0.00 O ATOM 727 CB LEU A 46 130.638 2.675 -0.277 1.00 0.00 C ATOM 728 CG LEU A 46 130.983 3.866 0.619 1.00 0.00 C ATOM 729 CD1 LEU A 46 130.732 3.526 2.080 1.00 0.00 C ATOM 730 CD2 LEU A 46 132.428 4.289 0.408 1.00 0.00 C ATOM 0 H LEU A 46 129.350 2.256 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 46 129.097 1.286 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 46 131.254 1.826 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 46 130.909 2.922 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 46 130.337 4.701 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 46 130.983 4.385 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 46 129.681 3.272 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 46 131.352 2.677 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 46 132.657 5.137 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 46 133.090 3.458 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 46 132.575 4.575 -0.633 1.00 0.00 H new ATOM 742 N TYR A 47 128.013 4.371 -0.150 1.00 0.00 N ATOM 743 CA TYR A 47 127.205 5.412 0.467 1.00 0.00 C ATOM 744 C TYR A 47 125.825 4.868 0.816 1.00 0.00 C ATOM 745 O TYR A 47 125.259 5.199 1.858 1.00 0.00 O ATOM 746 CB TYR A 47 127.076 6.613 -0.472 1.00 0.00 C ATOM 747 CG TYR A 47 128.198 7.616 -0.331 1.00 0.00 C ATOM 748 CD1 TYR A 47 128.121 8.650 0.595 1.00 0.00 C ATOM 749 CD2 TYR A 47 129.336 7.529 -1.124 1.00 0.00 C ATOM 750 CE1 TYR A 47 129.146 9.568 0.725 1.00 0.00 C ATOM 751 CE2 TYR A 47 130.365 8.443 -0.997 1.00 0.00 C ATOM 752 CZ TYR A 47 130.264 9.460 -0.072 1.00 0.00 C ATOM 753 OH TYR A 47 131.286 10.373 0.055 1.00 0.00 O ATOM 0 H TYR A 47 128.294 4.565 -1.111 1.00 0.00 H new ATOM 0 HA TYR A 47 127.697 5.738 1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 47 127.046 6.257 -1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 47 126.127 7.113 -0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 47 127.246 8.737 1.223 1.00 0.00 H new ATOM 0 HD2 TYR A 47 129.418 6.735 -1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 47 129.071 10.366 1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 47 131.244 8.361 -1.619 1.00 0.00 H new ATOM 0 HH TYR A 47 132.001 10.155 -0.579 1.00 0.00 H new ATOM 763 N PHE A 48 125.295 4.016 -0.060 1.00 0.00 N ATOM 764 CA PHE A 48 123.986 3.415 0.157 1.00 0.00 C ATOM 765 C PHE A 48 123.981 2.607 1.446 1.00 0.00 C ATOM 766 O PHE A 48 122.959 2.507 2.122 1.00 0.00 O ATOM 767 CB PHE A 48 123.589 2.521 -1.022 1.00 0.00 C ATOM 768 CG PHE A 48 122.122 2.588 -1.353 1.00 0.00 C ATOM 769 CD1 PHE A 48 121.520 3.806 -1.623 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.344 1.439 -1.390 1.00 0.00 C ATOM 771 CE1 PHE A 48 120.173 3.879 -1.922 1.00 0.00 C ATOM 772 CE2 PHE A 48 119.997 1.508 -1.689 1.00 0.00 C ATOM 773 CZ PHE A 48 119.412 2.729 -1.955 1.00 0.00 C ATOM 0 H PHE A 48 125.753 3.728 -0.925 1.00 0.00 H new ATOM 0 HA PHE A 48 123.256 4.220 0.239 1.00 0.00 H new ATOM 0 HB2 PHE A 48 124.166 2.812 -1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.856 1.489 -0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 48 122.111 4.710 -1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.797 0.481 -1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 48 119.716 4.835 -2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 48 119.402 0.607 -1.715 1.00 0.00 H new ATOM 0 HZ PHE A 48 118.359 2.784 -2.189 1.00 0.00 H new ATOM 783 N ARG A 49 125.127 2.025 1.783 1.00 0.00 N ATOM 784 CA ARG A 49 125.232 1.217 2.988 1.00 0.00 C ATOM 785 C ARG A 49 124.783 2.010 4.217 1.00 0.00 C ATOM 786 O ARG A 49 124.076 1.486 5.081 1.00 0.00 O ATOM 787 CB ARG A 49 126.672 0.719 3.175 1.00 0.00 C ATOM 788 CG ARG A 49 126.766 -0.703 3.719 1.00 0.00 C ATOM 789 CD ARG A 49 127.554 -1.617 2.786 1.00 0.00 C ATOM 790 NE ARG A 49 128.995 -1.457 2.954 1.00 0.00 N ATOM 791 CZ ARG A 49 129.648 -1.785 4.064 1.00 0.00 C ATOM 792 NH1 ARG A 49 128.991 -2.293 5.097 1.00 0.00 N ATOM 793 NH2 ARG A 49 130.960 -1.609 4.139 1.00 0.00 N ATOM 0 H ARG A 49 125.989 2.098 1.242 1.00 0.00 H new ATOM 0 HA ARG A 49 124.574 0.355 2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 49 127.190 0.767 2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 49 127.194 1.393 3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 49 127.243 -0.686 4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 49 125.763 -1.105 3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 49 127.279 -2.654 2.977 1.00 0.00 H new ATOM 0 HD3 ARG A 49 127.283 -1.401 1.753 1.00 0.00 H new ATOM 0 HE ARG A 49 129.531 -1.072 2.176 1.00 0.00 H new ATOM 0 HH11 ARG A 49 127.982 -2.433 5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 49 129.494 -2.544 5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 49 131.469 -1.222 3.344 1.00 0.00 H new ATOM 0 HH22 ARG A 49 131.460 -1.861 4.991 1.00 0.00 H new ATOM 807 N GLU A 50 125.182 3.275 4.283 1.00 0.00 N ATOM 808 CA GLU A 50 124.818 4.139 5.403 1.00 0.00 C ATOM 809 C GLU A 50 123.303 4.316 5.522 1.00 0.00 C ATOM 810 O GLU A 50 122.778 4.509 6.618 1.00 0.00 O ATOM 811 CB GLU A 50 125.487 5.508 5.251 1.00 0.00 C ATOM 812 CG GLU A 50 126.898 5.560 5.812 1.00 0.00 C ATOM 813 CD GLU A 50 127.297 6.954 6.257 1.00 0.00 C ATOM 814 OE1 GLU A 50 126.647 7.926 5.817 1.00 0.00 O ATOM 815 OE2 GLU A 50 128.260 7.074 7.043 1.00 0.00 O ATOM 0 H GLU A 50 125.759 3.727 3.573 1.00 0.00 H new ATOM 0 HA GLU A 50 125.170 3.655 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 50 125.515 5.774 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 50 124.877 6.259 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 50 126.974 4.877 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 50 127.599 5.209 5.055 1.00 0.00 H new ATOM 822 N LEU A 51 122.610 4.268 4.389 1.00 0.00 N ATOM 823 CA LEU A 51 121.158 4.444 4.369 1.00 0.00 C ATOM 824 C LEU A 51 120.441 3.417 5.241 1.00 0.00 C ATOM 825 O LEU A 51 119.438 3.731 5.884 1.00 0.00 O ATOM 826 CB LEU A 51 120.632 4.331 2.937 1.00 0.00 C ATOM 827 CG LEU A 51 120.322 5.656 2.243 1.00 0.00 C ATOM 828 CD1 LEU A 51 120.521 5.517 0.742 1.00 0.00 C ATOM 829 CD2 LEU A 51 118.902 6.103 2.559 1.00 0.00 C ATOM 0 H LEU A 51 123.028 4.109 3.472 1.00 0.00 H new ATOM 0 HA LEU A 51 120.953 5.436 4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 51 121.367 3.792 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 51 119.725 3.726 2.948 1.00 0.00 H new ATOM 0 HG LEU A 51 121.008 6.417 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 51 120.298 6.467 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 51 121.554 5.238 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 51 119.854 4.746 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 51 118.698 7.049 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 51 118.197 5.348 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 51 118.793 6.233 3.636 1.00 0.00 H new ATOM 841 N LEU A 52 120.944 2.189 5.253 1.00 0.00 N ATOM 842 CA LEU A 52 120.325 1.124 6.034 1.00 0.00 C ATOM 843 C LEU A 52 120.338 1.442 7.522 1.00 0.00 C ATOM 844 O LEU A 52 119.430 1.051 8.256 1.00 0.00 O ATOM 845 CB LEU A 52 121.052 -0.192 5.793 1.00 0.00 C ATOM 846 CG LEU A 52 120.259 -1.267 5.040 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.556 -2.192 6.018 1.00 0.00 C ATOM 848 CD2 LEU A 52 119.254 -0.643 4.081 1.00 0.00 C ATOM 0 H LEU A 52 121.775 1.906 4.734 1.00 0.00 H new ATOM 0 HA LEU A 52 119.288 1.039 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 52 121.965 0.016 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 52 121.354 -0.600 6.758 1.00 0.00 H new ATOM 0 HG LEU A 52 120.965 -1.852 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 52 118.998 -2.949 5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 52 120.295 -2.678 6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.869 -1.614 6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 52 118.708 -1.431 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.553 -0.024 4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.781 -0.027 3.352 1.00 0.00 H new ATOM 860 N ALA A 53 121.370 2.146 7.964 1.00 0.00 N ATOM 861 CA ALA A 53 121.490 2.495 9.370 1.00 0.00 C ATOM 862 C ALA A 53 120.264 3.263 9.840 1.00 0.00 C ATOM 863 O ALA A 53 119.803 3.083 10.967 1.00 0.00 O ATOM 864 CB ALA A 53 122.751 3.313 9.606 1.00 0.00 C ATOM 0 H ALA A 53 122.130 2.484 7.374 1.00 0.00 H new ATOM 0 HA ALA A 53 121.559 1.573 9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 53 122.827 3.567 10.663 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.623 2.731 9.309 1.00 0.00 H new ATOM 0 HB3 ALA A 53 122.707 4.228 9.015 1.00 0.00 H new ATOM 870 N GLY A 54 119.723 4.102 8.963 1.00 0.00 N ATOM 871 CA GLY A 54 118.550 4.869 9.322 1.00 0.00 C ATOM 872 C GLY A 54 117.394 3.981 9.722 1.00 0.00 C ATOM 873 O GLY A 54 116.716 4.242 10.714 1.00 0.00 O ATOM 0 H GLY A 54 120.074 4.262 8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 54 118.794 5.540 10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.253 5.493 8.479 1.00 0.00 H new ATOM 877 N VAL A 55 117.187 2.908 8.970 1.00 0.00 N ATOM 878 CA VAL A 55 116.120 1.970 9.276 1.00 0.00 C ATOM 879 C VAL A 55 116.435 1.234 10.567 1.00 0.00 C ATOM 880 O VAL A 55 115.544 0.902 11.348 1.00 0.00 O ATOM 881 CB VAL A 55 115.925 0.945 8.143 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.758 0.021 8.455 1.00 0.00 C ATOM 883 CG2 VAL A 55 115.713 1.652 6.813 1.00 0.00 C ATOM 0 H VAL A 55 117.742 2.668 8.148 1.00 0.00 H new ATOM 0 HA VAL A 55 115.198 2.541 9.385 1.00 0.00 H new ATOM 0 HB VAL A 55 116.828 0.340 8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.635 -0.696 7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.955 -0.513 9.385 1.00 0.00 H new ATOM 0 HG13 VAL A 55 113.846 0.609 8.561 1.00 0.00 H new ATOM 0 HG21 VAL A 55 115.577 0.911 6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 55 114.827 2.284 6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 55 116.583 2.268 6.586 1.00 0.00 H new ATOM 893 N ALA A 56 117.722 0.983 10.775 1.00 0.00 N ATOM 894 CA ALA A 56 118.193 0.286 11.959 1.00 0.00 C ATOM 895 C ALA A 56 118.108 1.164 13.203 1.00 0.00 C ATOM 896 O ALA A 56 118.107 0.662 14.327 1.00 0.00 O ATOM 897 CB ALA A 56 119.615 -0.195 11.733 1.00 0.00 C ATOM 0 H ALA A 56 118.463 1.257 10.129 1.00 0.00 H new ATOM 0 HA ALA A 56 117.545 -0.574 12.132 1.00 0.00 H new ATOM 0 HB1 ALA A 56 119.968 -0.718 12.622 1.00 0.00 H new ATOM 0 HB2 ALA A 56 119.638 -0.873 10.880 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.261 0.660 11.535 1.00 0.00 H new ATOM 903 N THR A 57 118.047 2.479 13.001 1.00 0.00 N ATOM 904 CA THR A 57 117.976 3.415 14.118 1.00 0.00 C ATOM 905 C THR A 57 116.637 4.141 14.149 1.00 0.00 C ATOM 906 O THR A 57 115.936 4.129 15.162 1.00 0.00 O ATOM 907 CB THR A 57 119.115 4.432 14.029 1.00 0.00 C ATOM 908 OG1 THR A 57 119.013 5.196 12.841 1.00 0.00 O ATOM 909 CG2 THR A 57 120.488 3.795 14.050 1.00 0.00 C ATOM 0 H THR A 57 118.045 2.917 12.080 1.00 0.00 H new ATOM 0 HA THR A 57 118.074 2.841 15.040 1.00 0.00 H new ATOM 0 HB THR A 57 119.011 5.061 14.913 1.00 0.00 H new ATOM 0 HG1 THR A 57 118.448 5.980 13.004 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.250 4.571 13.984 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.617 3.238 14.978 1.00 0.00 H new ATOM 0 HG23 THR A 57 120.587 3.116 13.203 1.00 0.00 H new ATOM 917 N ASN A 58 116.288 4.774 13.036 1.00 0.00 N ATOM 918 CA ASN A 58 115.033 5.508 12.938 1.00 0.00 C ATOM 919 C ASN A 58 113.900 4.598 12.477 1.00 0.00 C ATOM 920 O ASN A 58 112.954 5.050 11.833 1.00 0.00 O ATOM 921 CB ASN A 58 115.182 6.684 11.972 1.00 0.00 C ATOM 922 CG ASN A 58 116.501 7.411 12.144 1.00 0.00 C ATOM 923 OD1 ASN A 58 117.184 7.250 13.154 1.00 0.00 O ATOM 924 ND2 ASN A 58 116.866 8.217 11.153 1.00 0.00 N ATOM 0 H ASN A 58 116.856 4.794 12.189 1.00 0.00 H new ATOM 0 HA ASN A 58 114.786 5.887 13.930 1.00 0.00 H new ATOM 0 HB2 ASN A 58 115.101 6.321 10.947 1.00 0.00 H new ATOM 0 HB3 ASN A 58 114.361 7.384 12.128 1.00 0.00 H new ATOM 0 HD21 ASN A 58 117.744 8.732 11.212 1.00 0.00 H new ATOM 0 HD22 ASN A 58 116.268 8.320 10.333 1.00 0.00 H new ATOM 931 N THR A 59 113.996 3.314 12.815 1.00 0.00 N ATOM 932 CA THR A 59 112.970 2.355 12.432 1.00 0.00 C ATOM 933 C THR A 59 111.606 2.811 12.935 1.00 0.00 C ATOM 934 O THR A 59 110.634 2.837 12.181 1.00 0.00 O ATOM 935 CB THR A 59 113.294 0.965 12.987 1.00 0.00 C ATOM 936 OG1 THR A 59 114.617 0.922 13.491 1.00 0.00 O ATOM 937 CG2 THR A 59 113.158 -0.136 11.956 1.00 0.00 C ATOM 0 H THR A 59 114.769 2.918 13.350 1.00 0.00 H new ATOM 0 HA THR A 59 112.946 2.298 11.344 1.00 0.00 H new ATOM 0 HB THR A 59 112.565 0.792 13.779 1.00 0.00 H new ATOM 0 HG1 THR A 59 115.250 0.872 12.745 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.401 -1.095 12.413 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.134 -0.161 11.584 1.00 0.00 H new ATOM 0 HG23 THR A 59 113.841 0.055 11.128 1.00 0.00 H new ATOM 945 N ALA A 60 111.545 3.189 14.209 1.00 0.00 N ATOM 946 CA ALA A 60 110.299 3.658 14.798 1.00 0.00 C ATOM 947 C ALA A 60 109.778 4.857 14.024 1.00 0.00 C ATOM 948 O ALA A 60 108.586 4.955 13.733 1.00 0.00 O ATOM 949 CB ALA A 60 110.504 4.013 16.263 1.00 0.00 C ATOM 0 H ALA A 60 112.340 3.179 14.848 1.00 0.00 H new ATOM 0 HA ALA A 60 109.560 2.859 14.742 1.00 0.00 H new ATOM 0 HB1 ALA A 60 109.563 4.362 16.688 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.843 3.131 16.807 1.00 0.00 H new ATOM 0 HB3 ALA A 60 111.253 4.801 16.345 1.00 0.00 H new ATOM 955 N TYR A 61 110.690 5.750 13.657 1.00 0.00 N ATOM 956 CA TYR A 61 110.329 6.924 12.878 1.00 0.00 C ATOM 957 C TYR A 61 109.833 6.463 11.524 1.00 0.00 C ATOM 958 O TYR A 61 108.866 6.993 10.978 1.00 0.00 O ATOM 959 CB TYR A 61 111.529 7.855 12.705 1.00 0.00 C ATOM 960 CG TYR A 61 111.607 8.487 11.332 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.767 9.537 10.983 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.518 8.032 10.384 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.832 10.117 9.730 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.589 8.608 9.129 1.00 0.00 C ATOM 965 CZ TYR A 61 111.744 9.650 8.807 1.00 0.00 C ATOM 966 OH TYR A 61 111.812 10.225 7.560 1.00 0.00 O ATOM 0 H TYR A 61 111.682 5.682 13.887 1.00 0.00 H new ATOM 0 HA TYR A 61 109.549 7.479 13.399 1.00 0.00 H new ATOM 0 HB2 TYR A 61 111.480 8.643 13.457 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.445 7.294 12.891 1.00 0.00 H new ATOM 0 HD1 TYR A 61 110.051 9.906 11.703 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.180 7.216 10.632 1.00 0.00 H new ATOM 0 HE1 TYR A 61 110.171 10.932 9.475 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.302 8.244 8.404 1.00 0.00 H new ATOM 0 HH TYR A 61 112.647 10.731 7.478 1.00 0.00 H new ATOM 976 N LEU A 62 110.494 5.433 11.010 1.00 0.00 N ATOM 977 CA LEU A 62 110.131 4.842 9.749 1.00 0.00 C ATOM 978 C LEU A 62 108.803 4.126 9.920 1.00 0.00 C ATOM 979 O LEU A 62 107.998 4.037 8.992 1.00 0.00 O ATOM 980 CB LEU A 62 111.225 3.872 9.308 1.00 0.00 C ATOM 981 CG LEU A 62 111.168 3.460 7.846 1.00 0.00 C ATOM 982 CD1 LEU A 62 109.800 2.889 7.528 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.483 4.644 6.945 1.00 0.00 C ATOM 0 H LEU A 62 111.294 4.992 11.463 1.00 0.00 H new ATOM 0 HA LEU A 62 110.028 5.607 8.980 1.00 0.00 H new ATOM 0 HB2 LEU A 62 112.195 4.329 9.503 1.00 0.00 H new ATOM 0 HB3 LEU A 62 111.165 2.975 9.925 1.00 0.00 H new ATOM 0 HG LEU A 62 111.919 2.691 7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 62 109.763 2.595 6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 62 109.615 2.018 8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 62 109.037 3.644 7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 62 111.437 4.330 5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 62 110.755 5.436 7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 62 112.483 5.015 7.169 1.00 0.00 H new ATOM 995 N ASP A 63 108.581 3.631 11.136 1.00 0.00 N ATOM 996 CA ASP A 63 107.347 2.933 11.464 1.00 0.00 C ATOM 997 C ASP A 63 106.181 3.910 11.482 1.00 0.00 C ATOM 998 O ASP A 63 105.030 3.530 11.261 1.00 0.00 O ATOM 999 CB ASP A 63 107.470 2.238 12.822 1.00 0.00 C ATOM 1000 CG ASP A 63 106.267 2.488 13.710 1.00 0.00 C ATOM 1001 OD1 ASP A 63 106.083 3.642 14.152 1.00 0.00 O ATOM 1002 OD2 ASP A 63 105.507 1.529 13.963 1.00 0.00 O ATOM 0 H ASP A 63 109.243 3.702 11.909 1.00 0.00 H new ATOM 0 HA ASP A 63 107.164 2.177 10.701 1.00 0.00 H new ATOM 0 HB2 ASP A 63 107.588 1.165 12.669 1.00 0.00 H new ATOM 0 HB3 ASP A 63 108.370 2.589 13.327 1.00 0.00 H new ATOM 1007 N GLY A 64 106.489 5.178 11.740 1.00 0.00 N ATOM 1008 CA GLY A 64 105.461 6.199 11.773 1.00 0.00 C ATOM 1009 C GLY A 64 104.766 6.342 10.437 1.00 0.00 C ATOM 1010 O GLY A 64 103.611 6.762 10.369 1.00 0.00 O ATOM 0 H GLY A 64 107.433 5.515 11.927 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.727 5.951 12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.906 7.153 12.055 1.00 0.00 H new ATOM 1014 N LEU A 65 105.471 5.981 9.369 1.00 0.00 N ATOM 1015 CA LEU A 65 104.916 6.060 8.025 1.00 0.00 C ATOM 1016 C LEU A 65 103.816 5.022 7.848 1.00 0.00 C ATOM 1017 O LEU A 65 102.804 5.276 7.194 1.00 0.00 O ATOM 1018 CB LEU A 65 106.017 5.854 6.985 1.00 0.00 C ATOM 1019 CG LEU A 65 106.835 7.104 6.662 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.185 7.884 5.531 1.00 0.00 C ATOM 1021 CD2 LEU A 65 106.979 7.977 7.900 1.00 0.00 C ATOM 0 H LEU A 65 106.428 5.631 9.410 1.00 0.00 H new ATOM 0 HA LEU A 65 104.485 7.051 7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 65 106.693 5.076 7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 65 105.564 5.486 6.065 1.00 0.00 H new ATOM 0 HG LEU A 65 107.830 6.796 6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 65 106.779 8.771 5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 65 106.129 7.257 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 65 105.180 8.184 5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 65 107.564 8.863 7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 65 105.992 8.279 8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 65 107.485 7.415 8.685 1.00 0.00 H new ATOM 1033 N MET A 66 104.017 3.856 8.452 1.00 0.00 N ATOM 1034 CA MET A 66 103.040 2.778 8.384 1.00 0.00 C ATOM 1035 C MET A 66 101.922 3.023 9.381 1.00 0.00 C ATOM 1036 O MET A 66 100.825 2.480 9.251 1.00 0.00 O ATOM 1037 CB MET A 66 103.710 1.440 8.674 1.00 0.00 C ATOM 1038 CG MET A 66 104.835 1.117 7.717 1.00 0.00 C ATOM 1039 SD MET A 66 104.729 -0.560 7.059 1.00 0.00 S ATOM 1040 CE MET A 66 106.331 -0.722 6.275 1.00 0.00 C ATOM 0 H MET A 66 104.851 3.634 8.996 1.00 0.00 H new ATOM 0 HA MET A 66 102.620 2.751 7.379 1.00 0.00 H new ATOM 0 HB2 MET A 66 104.099 1.449 9.692 1.00 0.00 H new ATOM 0 HB3 MET A 66 102.962 0.649 8.626 1.00 0.00 H new ATOM 0 HG2 MET A 66 104.820 1.829 6.891 1.00 0.00 H new ATOM 0 HG3 MET A 66 105.789 1.243 8.229 1.00 0.00 H new ATOM 0 HE1 MET A 66 106.198 -1.001 5.230 1.00 0.00 H new ATOM 0 HE2 MET A 66 106.862 0.228 6.333 1.00 0.00 H new ATOM 0 HE3 MET A 66 106.909 -1.492 6.785 1.00 0.00 H new ATOM 1050 N LYS A 67 102.218 3.852 10.373 1.00 0.00 N ATOM 1051 CA LYS A 67 101.248 4.194 11.409 1.00 0.00 C ATOM 1052 C LYS A 67 99.829 4.201 10.846 1.00 0.00 C ATOM 1053 O LYS A 67 98.945 3.523 11.368 1.00 0.00 O ATOM 1054 CB LYS A 67 101.576 5.559 12.017 1.00 0.00 C ATOM 1055 CG LYS A 67 101.088 5.720 13.447 1.00 0.00 C ATOM 1056 CD LYS A 67 102.223 6.100 14.385 1.00 0.00 C ATOM 1057 CE LYS A 67 102.297 7.605 14.589 1.00 0.00 C ATOM 1058 NZ LYS A 67 103.652 8.040 15.030 1.00 0.00 N ATOM 0 H LYS A 67 103.126 4.303 10.484 1.00 0.00 H new ATOM 0 HA LYS A 67 101.306 3.435 12.189 1.00 0.00 H new ATOM 0 HB2 LYS A 67 102.655 5.709 11.991 1.00 0.00 H new ATOM 0 HB3 LYS A 67 101.131 6.339 11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 67 100.313 6.485 13.484 1.00 0.00 H new ATOM 0 HG3 LYS A 67 100.633 4.789 13.784 1.00 0.00 H new ATOM 0 HD2 LYS A 67 102.081 5.608 15.347 1.00 0.00 H new ATOM 0 HD3 LYS A 67 103.168 5.740 13.979 1.00 0.00 H new ATOM 0 HE2 LYS A 67 102.038 8.111 13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 67 101.559 7.907 15.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 103.661 9.072 15.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 103.889 7.577 15.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 104.353 7.774 14.310 1.00 0.00 H new ATOM 1072 N PRO A 68 99.589 4.965 9.765 1.00 0.00 N ATOM 1073 CA PRO A 68 98.267 5.043 9.136 1.00 0.00 C ATOM 1074 C PRO A 68 97.849 3.712 8.517 1.00 0.00 C ATOM 1075 O PRO A 68 96.671 3.355 8.528 1.00 0.00 O ATOM 1076 CB PRO A 68 98.443 6.109 8.051 1.00 0.00 C ATOM 1077 CG PRO A 68 99.905 6.131 7.769 1.00 0.00 C ATOM 1078 CD PRO A 68 100.581 5.806 9.070 1.00 0.00 C ATOM 0 HA PRO A 68 97.486 5.284 9.857 1.00 0.00 H new ATOM 0 HB2 PRO A 68 97.872 5.860 7.157 1.00 0.00 H new ATOM 0 HB3 PRO A 68 98.092 7.083 8.393 1.00 0.00 H new ATOM 0 HG2 PRO A 68 100.165 5.403 7.001 1.00 0.00 H new ATOM 0 HG3 PRO A 68 100.217 7.108 7.400 1.00 0.00 H new ATOM 0 HD2 PRO A 68 101.520 5.275 8.914 1.00 0.00 H new ATOM 0 HD3 PRO A 68 100.814 6.706 9.638 1.00 0.00 H new ATOM 1086 N TYR A 69 98.823 2.983 7.982 1.00 0.00 N ATOM 1087 CA TYR A 69 98.559 1.689 7.362 1.00 0.00 C ATOM 1088 C TYR A 69 99.340 0.580 8.060 1.00 0.00 C ATOM 1089 O TYR A 69 100.568 0.529 7.991 1.00 0.00 O ATOM 1090 CB TYR A 69 98.903 1.730 5.871 1.00 0.00 C ATOM 1091 CG TYR A 69 100.367 1.503 5.574 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.885 0.219 5.480 1.00 0.00 C ATOM 1093 CD2 TYR A 69 101.229 2.575 5.383 1.00 0.00 C ATOM 1094 CE1 TYR A 69 102.222 0.008 5.207 1.00 0.00 C ATOM 1095 CE2 TYR A 69 102.567 2.373 5.109 1.00 0.00 C ATOM 1096 CZ TYR A 69 103.060 1.087 5.022 1.00 0.00 C ATOM 1097 OH TYR A 69 104.392 0.881 4.749 1.00 0.00 O ATOM 0 H TYR A 69 99.803 3.266 7.965 1.00 0.00 H new ATOM 0 HA TYR A 69 97.496 1.473 7.468 1.00 0.00 H new ATOM 0 HB2 TYR A 69 98.315 0.973 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 69 98.606 2.697 5.466 1.00 0.00 H new ATOM 0 HD1 TYR A 69 100.232 -0.629 5.623 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.847 3.583 5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.610 -0.998 5.139 1.00 0.00 H new ATOM 0 HE2 TYR A 69 103.225 3.217 4.963 1.00 0.00 H new ATOM 0 HH TYR A 69 104.498 0.044 4.251 1.00 0.00 H new ATOM 1107 N LEU A 70 98.617 -0.302 8.744 1.00 0.00 N ATOM 1108 CA LEU A 70 99.231 -1.407 9.466 1.00 0.00 C ATOM 1109 C LEU A 70 98.836 -2.744 8.840 1.00 0.00 C ATOM 1110 O LEU A 70 98.588 -2.823 7.637 1.00 0.00 O ATOM 1111 CB LEU A 70 98.811 -1.369 10.939 1.00 0.00 C ATOM 1112 CG LEU A 70 98.995 -0.022 11.642 1.00 0.00 C ATOM 1113 CD1 LEU A 70 100.468 0.346 11.713 1.00 0.00 C ATOM 1114 CD2 LEU A 70 98.204 1.072 10.942 1.00 0.00 C ATOM 0 H LEU A 70 97.600 -0.271 8.812 1.00 0.00 H new ATOM 0 HA LEU A 70 100.314 -1.304 9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 70 97.761 -1.654 11.007 1.00 0.00 H new ATOM 0 HB3 LEU A 70 99.382 -2.123 11.481 1.00 0.00 H new ATOM 0 HG LEU A 70 98.612 -0.117 12.658 1.00 0.00 H new ATOM 0 HD11 LEU A 70 100.579 1.307 12.216 1.00 0.00 H new ATOM 0 HD12 LEU A 70 101.008 -0.420 12.270 1.00 0.00 H new ATOM 0 HD13 LEU A 70 100.875 0.416 10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 70 98.353 2.018 11.462 1.00 0.00 H new ATOM 0 HD22 LEU A 70 98.547 1.167 9.912 1.00 0.00 H new ATOM 0 HD23 LEU A 70 97.144 0.816 10.950 1.00 0.00 H new ATOM 1126 N SER A 71 98.777 -3.791 9.659 1.00 0.00 N ATOM 1127 CA SER A 71 98.410 -5.118 9.179 1.00 0.00 C ATOM 1128 C SER A 71 98.461 -6.139 10.312 1.00 0.00 C ATOM 1129 O SER A 71 98.811 -7.299 10.098 1.00 0.00 O ATOM 1130 CB SER A 71 99.342 -5.549 8.045 1.00 0.00 C ATOM 1131 OG SER A 71 98.864 -5.094 6.790 1.00 0.00 O ATOM 0 H SER A 71 98.979 -3.745 10.658 1.00 0.00 H new ATOM 0 HA SER A 71 97.388 -5.072 8.802 1.00 0.00 H new ATOM 0 HB2 SER A 71 100.342 -5.153 8.222 1.00 0.00 H new ATOM 0 HB3 SER A 71 99.427 -6.636 8.033 1.00 0.00 H new ATOM 0 HG SER A 71 98.642 -4.141 6.850 1.00 0.00 H new ATOM 1137 N ARG A 72 98.110 -5.697 11.515 1.00 0.00 N ATOM 1138 CA ARG A 72 98.117 -6.572 12.683 1.00 0.00 C ATOM 1139 C ARG A 72 99.535 -7.027 13.010 1.00 0.00 C ATOM 1140 O ARG A 72 100.066 -6.720 14.077 1.00 0.00 O ATOM 1141 CB ARG A 72 97.220 -7.786 12.442 1.00 0.00 C ATOM 1142 CG ARG A 72 95.802 -7.426 12.032 1.00 0.00 C ATOM 1143 CD ARG A 72 95.348 -8.234 10.828 1.00 0.00 C ATOM 1144 NE ARG A 72 93.905 -8.146 10.621 1.00 0.00 N ATOM 1145 CZ ARG A 72 93.285 -7.038 10.227 1.00 0.00 C ATOM 1146 NH1 ARG A 72 93.978 -5.931 10.003 1.00 0.00 N ATOM 1147 NH2 ARG A 72 91.970 -7.037 10.058 1.00 0.00 N ATOM 0 H ARG A 72 97.817 -4.739 11.707 1.00 0.00 H new ATOM 0 HA ARG A 72 97.730 -6.009 13.532 1.00 0.00 H new ATOM 0 HB2 ARG A 72 97.666 -8.408 11.666 1.00 0.00 H new ATOM 0 HB3 ARG A 72 97.185 -8.387 13.351 1.00 0.00 H new ATOM 0 HG2 ARG A 72 95.125 -7.604 12.867 1.00 0.00 H new ATOM 0 HG3 ARG A 72 95.748 -6.363 11.799 1.00 0.00 H new ATOM 0 HD2 ARG A 72 95.864 -7.877 9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 72 95.631 -9.278 10.964 1.00 0.00 H new ATOM 0 HE ARG A 72 93.342 -8.980 10.788 1.00 0.00 H new ATOM 0 HH11 ARG A 72 94.990 -5.928 10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 72 93.500 -5.082 9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 72 91.433 -7.887 10.230 1.00 0.00 H new ATOM 0 HH22 ARG A 72 91.495 -6.186 9.756 1.00 0.00 H new ATOM 1161 N LEU A 73 100.145 -7.755 12.081 1.00 0.00 N ATOM 1162 CA LEU A 73 101.507 -8.246 12.265 1.00 0.00 C ATOM 1163 C LEU A 73 102.341 -8.013 11.010 1.00 0.00 C ATOM 1164 O LEU A 73 102.226 -8.749 10.029 1.00 0.00 O ATOM 1165 CB LEU A 73 101.514 -9.737 12.625 1.00 0.00 C ATOM 1166 CG LEU A 73 100.203 -10.488 12.379 1.00 0.00 C ATOM 1167 CD1 LEU A 73 99.144 -10.065 13.385 1.00 0.00 C ATOM 1168 CD2 LEU A 73 99.712 -10.268 10.956 1.00 0.00 C ATOM 0 H LEU A 73 99.718 -8.018 11.193 1.00 0.00 H new ATOM 0 HA LEU A 73 101.948 -7.688 13.091 1.00 0.00 H new ATOM 0 HB2 LEU A 73 102.303 -10.226 12.054 1.00 0.00 H new ATOM 0 HB3 LEU A 73 101.775 -9.836 13.679 1.00 0.00 H new ATOM 0 HG LEU A 73 100.393 -11.553 12.511 1.00 0.00 H new ATOM 0 HD11 LEU A 73 98.220 -10.611 13.192 1.00 0.00 H new ATOM 0 HD12 LEU A 73 99.492 -10.286 14.394 1.00 0.00 H new ATOM 0 HD13 LEU A 73 98.960 -8.995 13.291 1.00 0.00 H new ATOM 0 HD21 LEU A 73 98.779 -10.811 10.805 1.00 0.00 H new ATOM 0 HD22 LEU A 73 99.543 -9.204 10.790 1.00 0.00 H new ATOM 0 HD23 LEU A 73 100.461 -10.631 10.252 1.00 0.00 H new ATOM 1180 N LEU A 74 103.180 -6.983 11.046 1.00 0.00 N ATOM 1181 CA LEU A 74 104.033 -6.652 9.911 1.00 0.00 C ATOM 1182 C LEU A 74 104.892 -7.846 9.508 1.00 0.00 C ATOM 1183 O LEU A 74 105.117 -8.088 8.322 1.00 0.00 O ATOM 1184 CB LEU A 74 104.927 -5.458 10.250 1.00 0.00 C ATOM 1185 CG LEU A 74 104.193 -4.127 10.431 1.00 0.00 C ATOM 1186 CD1 LEU A 74 104.504 -3.528 11.794 1.00 0.00 C ATOM 1187 CD2 LEU A 74 104.569 -3.158 9.321 1.00 0.00 C ATOM 0 H LEU A 74 103.287 -6.363 11.849 1.00 0.00 H new ATOM 0 HA LEU A 74 103.390 -6.390 9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 74 105.473 -5.682 11.167 1.00 0.00 H new ATOM 0 HB3 LEU A 74 105.667 -5.342 9.458 1.00 0.00 H new ATOM 0 HG LEU A 74 103.120 -4.313 10.376 1.00 0.00 H new ATOM 0 HD11 LEU A 74 103.974 -2.582 11.905 1.00 0.00 H new ATOM 0 HD12 LEU A 74 104.185 -4.217 12.576 1.00 0.00 H new ATOM 0 HD13 LEU A 74 105.577 -3.355 11.879 1.00 0.00 H new ATOM 0 HD21 LEU A 74 104.038 -2.217 9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 74 105.643 -2.976 9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 74 104.295 -3.585 8.357 1.00 0.00 H new ATOM 1199 N GLU A 75 105.369 -8.587 10.501 1.00 0.00 N ATOM 1200 CA GLU A 75 106.205 -9.756 10.249 1.00 0.00 C ATOM 1201 C GLU A 75 105.462 -10.783 9.400 1.00 0.00 C ATOM 1202 O GLU A 75 106.012 -11.324 8.441 1.00 0.00 O ATOM 1203 CB GLU A 75 106.642 -10.391 11.571 1.00 0.00 C ATOM 1204 CG GLU A 75 106.087 -11.789 11.789 1.00 0.00 C ATOM 1205 CD GLU A 75 106.704 -12.482 12.988 1.00 0.00 C ATOM 1206 OE1 GLU A 75 107.568 -11.867 13.648 1.00 0.00 O ATOM 1207 OE2 GLU A 75 106.324 -13.638 13.266 1.00 0.00 O ATOM 0 H GLU A 75 105.192 -8.400 11.488 1.00 0.00 H new ATOM 0 HA GLU A 75 107.089 -9.429 9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 75 107.731 -10.433 11.602 1.00 0.00 H new ATOM 0 HB3 GLU A 75 106.324 -9.751 12.394 1.00 0.00 H new ATOM 0 HG2 GLU A 75 105.007 -11.730 11.924 1.00 0.00 H new ATOM 0 HG3 GLU A 75 106.264 -12.389 10.897 1.00 0.00 H new ATOM 1214 N GLU A 76 104.210 -11.048 9.760 1.00 0.00 N ATOM 1215 CA GLU A 76 103.392 -12.012 9.031 1.00 0.00 C ATOM 1216 C GLU A 76 103.235 -11.598 7.571 1.00 0.00 C ATOM 1217 O GLU A 76 103.628 -12.330 6.663 1.00 0.00 O ATOM 1218 CB GLU A 76 102.017 -12.143 9.687 1.00 0.00 C ATOM 1219 CG GLU A 76 101.993 -13.106 10.862 1.00 0.00 C ATOM 1220 CD GLU A 76 100.783 -14.019 10.844 1.00 0.00 C ATOM 1221 OE1 GLU A 76 99.666 -13.520 10.594 1.00 0.00 O ATOM 1222 OE2 GLU A 76 100.952 -15.234 11.080 1.00 0.00 O ATOM 0 H GLU A 76 103.740 -10.609 10.552 1.00 0.00 H new ATOM 0 HA GLU A 76 103.896 -12.978 9.063 1.00 0.00 H new ATOM 0 HB2 GLU A 76 101.691 -11.160 10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 76 101.297 -12.477 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 76 102.900 -13.711 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 76 102.001 -12.538 11.792 1.00 0.00 H new ATOM 1229 N LEU A 77 102.657 -10.421 7.353 1.00 0.00 N ATOM 1230 CA LEU A 77 102.448 -9.911 6.003 1.00 0.00 C ATOM 1231 C LEU A 77 103.646 -10.220 5.112 1.00 0.00 C ATOM 1232 O LEU A 77 104.723 -10.561 5.600 1.00 0.00 O ATOM 1233 CB LEU A 77 102.200 -8.401 6.038 1.00 0.00 C ATOM 1234 CG LEU A 77 101.437 -7.843 4.836 1.00 0.00 C ATOM 1235 CD1 LEU A 77 100.259 -6.998 5.297 1.00 0.00 C ATOM 1236 CD2 LEU A 77 102.366 -7.028 3.949 1.00 0.00 C ATOM 0 H LEU A 77 102.325 -9.803 8.094 1.00 0.00 H new ATOM 0 HA LEU A 77 101.571 -10.407 5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 77 101.645 -8.160 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 77 103.161 -7.892 6.107 1.00 0.00 H new ATOM 0 HG LEU A 77 101.051 -8.679 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 77 99.728 -6.609 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 77 99.582 -7.611 5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 77 100.622 -6.167 5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 77 101.807 -6.638 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 77 102.781 -6.198 4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 77 103.176 -7.663 3.591 1.00 0.00 H new ATOM 1248 N GLY A 78 103.450 -10.101 3.803 1.00 0.00 N ATOM 1249 CA GLY A 78 104.523 -10.371 2.863 1.00 0.00 C ATOM 1250 C GLY A 78 105.877 -9.934 3.388 1.00 0.00 C ATOM 1251 O GLY A 78 106.176 -8.741 3.435 1.00 0.00 O ATOM 0 H GLY A 78 102.567 -9.822 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 78 104.549 -11.438 2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 78 104.317 -9.857 1.924 1.00 0.00 H new ATOM 1255 N GLN A 79 106.697 -10.902 3.782 1.00 0.00 N ATOM 1256 CA GLN A 79 108.026 -10.612 4.306 1.00 0.00 C ATOM 1257 C GLN A 79 108.706 -9.515 3.492 1.00 0.00 C ATOM 1258 O GLN A 79 108.903 -8.400 3.977 1.00 0.00 O ATOM 1259 CB GLN A 79 108.888 -11.876 4.297 1.00 0.00 C ATOM 1260 CG GLN A 79 109.065 -12.500 5.671 1.00 0.00 C ATOM 1261 CD GLN A 79 110.417 -12.187 6.283 1.00 0.00 C ATOM 1262 OE1 GLN A 79 111.287 -13.053 6.373 1.00 0.00 O ATOM 1263 NE2 GLN A 79 110.600 -10.942 6.710 1.00 0.00 N ATOM 0 H GLN A 79 106.464 -11.895 3.748 1.00 0.00 H new ATOM 0 HA GLN A 79 107.915 -10.262 5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 79 108.436 -12.609 3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 79 109.869 -11.634 3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 79 108.278 -12.140 6.334 1.00 0.00 H new ATOM 0 HG3 GLN A 79 108.947 -13.581 5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 79 109.852 -10.255 6.616 1.00 0.00 H new ATOM 0 HE22 GLN A 79 111.489 -10.673 7.132 1.00 0.00 H new ATOM 1272 N VAL A 80 109.066 -9.840 2.255 1.00 0.00 N ATOM 1273 CA VAL A 80 109.729 -8.879 1.377 1.00 0.00 C ATOM 1274 C VAL A 80 108.852 -7.660 1.124 1.00 0.00 C ATOM 1275 O VAL A 80 109.297 -6.521 1.274 1.00 0.00 O ATOM 1276 CB VAL A 80 110.104 -9.495 0.011 1.00 0.00 C ATOM 1277 CG1 VAL A 80 111.562 -9.921 -0.006 1.00 0.00 C ATOM 1278 CG2 VAL A 80 109.192 -10.665 -0.334 1.00 0.00 C ATOM 0 H VAL A 80 108.911 -10.758 1.838 1.00 0.00 H new ATOM 0 HA VAL A 80 110.640 -8.583 1.897 1.00 0.00 H new ATOM 0 HB VAL A 80 109.965 -8.729 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.804 -10.352 -0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 80 112.197 -9.053 0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 80 111.733 -10.664 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 80 109.480 -11.078 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 80 109.283 -11.435 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 80 108.159 -10.320 -0.380 1.00 0.00 H new ATOM 1288 N GLU A 81 107.604 -7.901 0.737 1.00 0.00 N ATOM 1289 CA GLU A 81 106.678 -6.819 0.447 1.00 0.00 C ATOM 1290 C GLU A 81 106.578 -5.856 1.621 1.00 0.00 C ATOM 1291 O GLU A 81 106.707 -4.645 1.449 1.00 0.00 O ATOM 1292 CB GLU A 81 105.295 -7.383 0.116 1.00 0.00 C ATOM 1293 CG GLU A 81 104.481 -6.489 -0.801 1.00 0.00 C ATOM 1294 CD GLU A 81 105.187 -6.202 -2.111 1.00 0.00 C ATOM 1295 OE1 GLU A 81 105.726 -7.153 -2.716 1.00 0.00 O ATOM 1296 OE2 GLU A 81 105.201 -5.027 -2.533 1.00 0.00 O ATOM 0 H GLU A 81 107.213 -8.836 0.618 1.00 0.00 H new ATOM 0 HA GLU A 81 107.058 -6.270 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 81 105.412 -8.360 -0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.743 -7.538 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 81 103.521 -6.963 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 81 104.270 -5.548 -0.292 1.00 0.00 H new ATOM 1303 N LYS A 82 106.373 -6.394 2.817 1.00 0.00 N ATOM 1304 CA LYS A 82 106.276 -5.556 4.003 1.00 0.00 C ATOM 1305 C LYS A 82 107.530 -4.710 4.128 1.00 0.00 C ATOM 1306 O LYS A 82 107.463 -3.521 4.438 1.00 0.00 O ATOM 1307 CB LYS A 82 106.096 -6.413 5.258 1.00 0.00 C ATOM 1308 CG LYS A 82 106.122 -5.609 6.549 1.00 0.00 C ATOM 1309 CD LYS A 82 107.538 -5.439 7.076 1.00 0.00 C ATOM 1310 CE LYS A 82 107.695 -4.139 7.850 1.00 0.00 C ATOM 1311 NZ LYS A 82 107.609 -4.354 9.320 1.00 0.00 N ATOM 0 H LYS A 82 106.272 -7.394 2.990 1.00 0.00 H new ATOM 0 HA LYS A 82 105.406 -4.907 3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 82 105.148 -6.947 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.884 -7.165 5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 82 105.678 -4.629 6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 82 105.511 -6.108 7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 82 107.790 -6.280 7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 82 108.241 -5.455 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 82 108.655 -3.685 7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 82 106.921 -3.436 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 106.836 -3.778 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 107.423 -5.359 9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 108.507 -4.076 9.765 1.00 0.00 H new ATOM 1325 N ALA A 83 108.673 -5.324 3.854 1.00 0.00 N ATOM 1326 CA ALA A 83 109.938 -4.618 3.904 1.00 0.00 C ATOM 1327 C ALA A 83 110.036 -3.650 2.734 1.00 0.00 C ATOM 1328 O ALA A 83 110.558 -2.543 2.865 1.00 0.00 O ATOM 1329 CB ALA A 83 111.100 -5.601 3.885 1.00 0.00 C ATOM 0 H ALA A 83 108.746 -6.308 3.596 1.00 0.00 H new ATOM 0 HA ALA A 83 109.989 -4.052 4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 83 112.041 -5.053 3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 83 111.031 -6.263 4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 83 111.061 -6.192 2.970 1.00 0.00 H new ATOM 1335 N VAL A 84 109.515 -4.081 1.587 1.00 0.00 N ATOM 1336 CA VAL A 84 109.539 -3.272 0.380 1.00 0.00 C ATOM 1337 C VAL A 84 108.863 -1.935 0.615 1.00 0.00 C ATOM 1338 O VAL A 84 109.381 -0.887 0.231 1.00 0.00 O ATOM 1339 CB VAL A 84 108.835 -3.993 -0.783 1.00 0.00 C ATOM 1340 CG1 VAL A 84 107.696 -3.145 -1.332 1.00 0.00 C ATOM 1341 CG2 VAL A 84 109.833 -4.339 -1.876 1.00 0.00 C ATOM 0 H VAL A 84 109.070 -4.992 1.473 1.00 0.00 H new ATOM 0 HA VAL A 84 110.585 -3.109 0.119 1.00 0.00 H new ATOM 0 HB VAL A 84 108.409 -4.923 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.212 -3.674 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 84 106.968 -2.958 -0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.091 -2.196 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.318 -4.848 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.292 -3.425 -2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.605 -4.992 -1.470 1.00 0.00 H new ATOM 1351 N LEU A 85 107.707 -1.977 1.255 1.00 0.00 N ATOM 1352 CA LEU A 85 106.967 -0.766 1.551 1.00 0.00 C ATOM 1353 C LEU A 85 107.694 0.063 2.602 1.00 0.00 C ATOM 1354 O LEU A 85 107.649 1.291 2.572 1.00 0.00 O ATOM 1355 CB LEU A 85 105.560 -1.110 2.043 1.00 0.00 C ATOM 1356 CG LEU A 85 104.776 -2.069 1.147 1.00 0.00 C ATOM 1357 CD1 LEU A 85 103.728 -2.819 1.956 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.124 -1.313 -0.001 1.00 0.00 C ATOM 0 H LEU A 85 107.262 -2.836 1.579 1.00 0.00 H new ATOM 0 HA LEU A 85 106.890 -0.181 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 85 105.637 -1.548 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 85 104.991 -0.186 2.145 1.00 0.00 H new ATOM 0 HG LEU A 85 105.472 -2.796 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 85 103.180 -3.497 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 85 104.218 -3.392 2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.035 -2.106 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.570 -2.011 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 85 103.441 -0.564 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 85 104.893 -0.822 -0.597 1.00 0.00 H new ATOM 1370 N ARG A 86 108.371 -0.614 3.529 1.00 0.00 N ATOM 1371 CA ARG A 86 109.090 0.082 4.587 1.00 0.00 C ATOM 1372 C ARG A 86 110.128 1.017 3.995 1.00 0.00 C ATOM 1373 O ARG A 86 110.193 2.194 4.352 1.00 0.00 O ATOM 1374 CB ARG A 86 109.763 -0.922 5.524 1.00 0.00 C ATOM 1375 CG ARG A 86 109.668 -0.544 6.993 1.00 0.00 C ATOM 1376 CD ARG A 86 111.035 -0.226 7.576 1.00 0.00 C ATOM 1377 NE ARG A 86 111.455 -1.219 8.561 1.00 0.00 N ATOM 1378 CZ ARG A 86 110.835 -1.414 9.720 1.00 0.00 C ATOM 1379 NH1 ARG A 86 109.772 -0.686 10.037 1.00 0.00 N ATOM 1380 NH2 ARG A 86 111.278 -2.336 10.564 1.00 0.00 N ATOM 0 H ARG A 86 108.435 -1.631 3.567 1.00 0.00 H new ATOM 0 HA ARG A 86 108.374 0.671 5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 86 109.308 -1.902 5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 86 110.814 -1.015 5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 86 109.013 0.320 7.106 1.00 0.00 H new ATOM 0 HG3 ARG A 86 109.214 -1.363 7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 86 111.770 -0.180 6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 86 111.010 0.759 8.042 1.00 0.00 H new ATOM 0 HE ARG A 86 112.269 -1.795 8.347 1.00 0.00 H new ATOM 0 HH11 ARG A 86 109.429 0.025 9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 86 109.297 -0.837 10.927 1.00 0.00 H new ATOM 0 HH21 ARG A 86 112.096 -2.897 10.324 1.00 0.00 H new ATOM 0 HH22 ARG A 86 110.801 -2.485 11.453 1.00 0.00 H new ATOM 1394 N ILE A 87 110.917 0.502 3.068 1.00 0.00 N ATOM 1395 CA ILE A 87 111.927 1.310 2.415 1.00 0.00 C ATOM 1396 C ILE A 87 111.263 2.421 1.616 1.00 0.00 C ATOM 1397 O ILE A 87 111.790 3.530 1.515 1.00 0.00 O ATOM 1398 CB ILE A 87 112.812 0.468 1.476 1.00 0.00 C ATOM 1399 CG1 ILE A 87 111.951 -0.258 0.439 1.00 0.00 C ATOM 1400 CG2 ILE A 87 113.638 -0.527 2.278 1.00 0.00 C ATOM 1401 CD1 ILE A 87 112.677 -0.541 -0.857 1.00 0.00 C ATOM 0 H ILE A 87 110.877 -0.467 2.753 1.00 0.00 H new ATOM 0 HA ILE A 87 112.562 1.735 3.192 1.00 0.00 H new ATOM 0 HB ILE A 87 113.494 1.136 0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 87 111.602 -1.199 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 87 111.067 0.344 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 87 114.258 -1.115 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.276 0.011 2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 87 112.973 -1.191 2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.007 -1.057 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 87 113.003 0.398 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 87 113.546 -1.169 -0.658 1.00 0.00 H new ATOM 1413 N ALA A 88 110.088 2.120 1.067 1.00 0.00 N ATOM 1414 CA ALA A 88 109.346 3.096 0.287 1.00 0.00 C ATOM 1415 C ALA A 88 109.019 4.310 1.134 1.00 0.00 C ATOM 1416 O ALA A 88 109.041 5.442 0.651 1.00 0.00 O ATOM 1417 CB ALA A 88 108.072 2.476 -0.267 1.00 0.00 C ATOM 0 H ALA A 88 109.634 1.210 1.150 1.00 0.00 H new ATOM 0 HA ALA A 88 109.967 3.415 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 88 107.528 3.220 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 88 108.327 1.631 -0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 88 107.447 2.132 0.557 1.00 0.00 H new ATOM 1423 N LEU A 89 108.728 4.068 2.404 1.00 0.00 N ATOM 1424 CA LEU A 89 108.403 5.147 3.315 1.00 0.00 C ATOM 1425 C LEU A 89 109.582 6.103 3.441 1.00 0.00 C ATOM 1426 O LEU A 89 109.411 7.323 3.433 1.00 0.00 O ATOM 1427 CB LEU A 89 108.023 4.587 4.691 1.00 0.00 C ATOM 1428 CG LEU A 89 107.026 3.425 4.674 1.00 0.00 C ATOM 1429 CD1 LEU A 89 106.602 3.065 6.093 1.00 0.00 C ATOM 1430 CD2 LEU A 89 105.813 3.777 3.826 1.00 0.00 C ATOM 0 H LEU A 89 108.711 3.138 2.822 1.00 0.00 H new ATOM 0 HA LEU A 89 107.550 5.695 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 89 108.932 4.256 5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 89 107.603 5.395 5.290 1.00 0.00 H new ATOM 0 HG LEU A 89 107.515 2.557 4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 89 105.893 2.237 6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 89 107.478 2.771 6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 89 106.131 3.929 6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 89 105.115 2.940 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 89 105.323 4.658 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 89 106.131 3.985 2.805 1.00 0.00 H new ATOM 1442 N TYR A 90 110.786 5.544 3.530 1.00 0.00 N ATOM 1443 CA TYR A 90 111.986 6.359 3.640 1.00 0.00 C ATOM 1444 C TYR A 90 112.241 7.105 2.340 1.00 0.00 C ATOM 1445 O TYR A 90 112.827 8.188 2.334 1.00 0.00 O ATOM 1446 CB TYR A 90 113.202 5.504 4.004 1.00 0.00 C ATOM 1447 CG TYR A 90 114.126 6.151 5.018 1.00 0.00 C ATOM 1448 CD1 TYR A 90 113.962 7.480 5.405 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.164 5.427 5.595 1.00 0.00 C ATOM 1450 CE1 TYR A 90 114.804 8.062 6.332 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.009 6.004 6.525 1.00 0.00 C ATOM 1452 CZ TYR A 90 115.824 7.321 6.890 1.00 0.00 C ATOM 1453 OH TYR A 90 116.663 7.899 7.815 1.00 0.00 O ATOM 0 H TYR A 90 110.953 4.538 3.528 1.00 0.00 H new ATOM 0 HA TYR A 90 111.828 7.083 4.439 1.00 0.00 H new ATOM 0 HB2 TYR A 90 112.857 4.548 4.399 1.00 0.00 H new ATOM 0 HB3 TYR A 90 113.767 5.289 3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.163 8.064 4.973 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.313 4.396 5.312 1.00 0.00 H new ATOM 0 HE1 TYR A 90 114.664 9.094 6.619 1.00 0.00 H new ATOM 0 HE2 TYR A 90 116.810 5.426 6.963 1.00 0.00 H new ATOM 0 HH TYR A 90 116.177 8.592 8.309 1.00 0.00 H new ATOM 1463 N GLU A 91 111.796 6.515 1.238 1.00 0.00 N ATOM 1464 CA GLU A 91 111.975 7.118 -0.074 1.00 0.00 C ATOM 1465 C GLU A 91 111.448 8.547 -0.079 1.00 0.00 C ATOM 1466 O GLU A 91 111.998 9.418 -0.753 1.00 0.00 O ATOM 1467 CB GLU A 91 111.259 6.291 -1.144 1.00 0.00 C ATOM 1468 CG GLU A 91 111.925 6.355 -2.508 1.00 0.00 C ATOM 1469 CD GLU A 91 112.143 7.777 -2.986 1.00 0.00 C ATOM 1470 OE1 GLU A 91 111.141 8.482 -3.226 1.00 0.00 O ATOM 1471 OE2 GLU A 91 113.316 8.186 -3.119 1.00 0.00 O ATOM 0 H GLU A 91 111.308 5.619 1.228 1.00 0.00 H new ATOM 0 HA GLU A 91 113.041 7.137 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 91 111.215 5.252 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 91 110.231 6.641 -1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 91 112.884 5.840 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 91 111.310 5.822 -3.233 1.00 0.00 H new ATOM 1478 N LEU A 92 110.380 8.782 0.675 1.00 0.00 N ATOM 1479 CA LEU A 92 109.786 10.108 0.752 1.00 0.00 C ATOM 1480 C LEU A 92 110.705 11.074 1.493 1.00 0.00 C ATOM 1481 O LEU A 92 110.864 12.227 1.091 1.00 0.00 O ATOM 1482 CB LEU A 92 108.423 10.034 1.442 1.00 0.00 C ATOM 1483 CG LEU A 92 107.459 9.011 0.841 1.00 0.00 C ATOM 1484 CD1 LEU A 92 106.723 8.258 1.938 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.475 9.694 -0.096 1.00 0.00 C ATOM 0 H LEU A 92 109.911 8.073 1.239 1.00 0.00 H new ATOM 0 HA LEU A 92 109.649 10.483 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 92 108.576 9.795 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.957 11.019 1.403 1.00 0.00 H new ATOM 0 HG LEU A 92 108.038 8.290 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 92 106.042 7.535 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 92 107.444 7.736 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 92 106.155 8.963 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 92 105.796 8.951 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 92 105.902 10.438 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.021 10.183 -0.903 1.00 0.00 H new ATOM 1497 N SER A 93 111.311 10.596 2.576 1.00 0.00 N ATOM 1498 CA SER A 93 112.217 11.416 3.372 1.00 0.00 C ATOM 1499 C SER A 93 113.560 11.587 2.671 1.00 0.00 C ATOM 1500 O SER A 93 114.087 12.696 2.576 1.00 0.00 O ATOM 1501 CB SER A 93 112.427 10.791 4.751 1.00 0.00 C ATOM 1502 OG SER A 93 113.806 10.693 5.063 1.00 0.00 O ATOM 0 H SER A 93 111.191 9.644 2.922 1.00 0.00 H new ATOM 0 HA SER A 93 111.762 12.400 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 93 111.922 11.392 5.507 1.00 0.00 H new ATOM 0 HB3 SER A 93 111.974 9.800 4.777 1.00 0.00 H new ATOM 0 HG SER A 93 114.064 9.749 5.112 1.00 0.00 H new ATOM 1508 N LYS A 94 114.113 10.480 2.184 1.00 0.00 N ATOM 1509 CA LYS A 94 115.398 10.507 1.495 1.00 0.00 C ATOM 1510 C LYS A 94 115.207 10.647 -0.011 1.00 0.00 C ATOM 1511 O LYS A 94 116.049 10.212 -0.797 1.00 0.00 O ATOM 1512 CB LYS A 94 116.192 9.238 1.804 1.00 0.00 C ATOM 1513 CG LYS A 94 116.483 9.047 3.285 1.00 0.00 C ATOM 1514 CD LYS A 94 116.461 10.372 4.030 1.00 0.00 C ATOM 1515 CE LYS A 94 116.636 10.173 5.527 1.00 0.00 C ATOM 1516 NZ LYS A 94 117.792 10.946 6.058 1.00 0.00 N ATOM 0 H LYS A 94 113.691 9.554 2.254 1.00 0.00 H new ATOM 0 HA LYS A 94 115.955 11.373 1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 94 115.638 8.374 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.135 9.267 1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 94 115.745 8.372 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.458 8.575 3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 94 117.255 11.016 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 94 115.518 10.883 3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 94 115.726 10.480 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 94 116.780 9.113 5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 117.877 10.784 7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 118.664 10.636 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 117.643 11.960 5.880 1.00 0.00 H new ATOM 1530 N ARG A 95 114.094 11.256 -0.407 1.00 0.00 N ATOM 1531 CA ARG A 95 113.794 11.454 -1.820 1.00 0.00 C ATOM 1532 C ARG A 95 114.712 12.510 -2.428 1.00 0.00 C ATOM 1533 O ARG A 95 115.139 13.442 -1.747 1.00 0.00 O ATOM 1534 CB ARG A 95 112.331 11.867 -1.999 1.00 0.00 C ATOM 1535 CG ARG A 95 112.134 13.370 -2.122 1.00 0.00 C ATOM 1536 CD ARG A 95 112.783 14.112 -0.965 1.00 0.00 C ATOM 1537 NE ARG A 95 111.798 14.597 -0.003 1.00 0.00 N ATOM 1538 CZ ARG A 95 111.103 15.719 -0.163 1.00 0.00 C ATOM 1539 NH1 ARG A 95 111.280 16.464 -1.246 1.00 0.00 N ATOM 1540 NH2 ARG A 95 110.228 16.096 0.760 1.00 0.00 N ATOM 0 H ARG A 95 113.386 11.620 0.230 1.00 0.00 H new ATOM 0 HA ARG A 95 113.963 10.510 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 95 111.932 11.382 -2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 95 111.752 11.501 -1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 95 112.559 13.718 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 95 111.068 13.598 -2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 95 113.487 13.451 -0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 95 113.357 14.954 -1.351 1.00 0.00 H new ATOM 0 HE ARG A 95 111.634 14.044 0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 95 111.951 16.177 -1.959 1.00 0.00 H new ATOM 0 HH12 ARG A 95 110.745 17.324 -1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 95 110.088 15.525 1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 95 109.695 16.957 0.636 1.00 0.00 H new ATOM 1554 N SER A 96 115.010 12.358 -3.714 1.00 0.00 N ATOM 1555 CA SER A 96 115.875 13.298 -4.414 1.00 0.00 C ATOM 1556 C SER A 96 115.091 14.081 -5.461 1.00 0.00 C ATOM 1557 O SER A 96 114.921 13.626 -6.592 1.00 0.00 O ATOM 1558 CB SER A 96 117.037 12.558 -5.078 1.00 0.00 C ATOM 1559 OG SER A 96 118.021 13.464 -5.545 1.00 0.00 O ATOM 0 H SER A 96 114.665 11.592 -4.292 1.00 0.00 H new ATOM 0 HA SER A 96 116.273 14.001 -3.682 1.00 0.00 H new ATOM 0 HB2 SER A 96 117.485 11.866 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 96 116.664 11.962 -5.910 1.00 0.00 H new ATOM 0 HG SER A 96 118.753 12.965 -5.964 1.00 0.00 H new ATOM 1565 N ASP A 97 114.613 15.260 -5.076 1.00 0.00 N ATOM 1566 CA ASP A 97 113.845 16.105 -5.982 1.00 0.00 C ATOM 1567 C ASP A 97 112.614 15.366 -6.499 1.00 0.00 C ATOM 1568 O ASP A 97 112.042 15.735 -7.525 1.00 0.00 O ATOM 1569 CB ASP A 97 114.716 16.554 -7.156 1.00 0.00 C ATOM 1570 CG ASP A 97 114.549 18.028 -7.470 1.00 0.00 C ATOM 1571 OD1 ASP A 97 114.992 18.862 -6.653 1.00 0.00 O ATOM 1572 OD2 ASP A 97 113.976 18.347 -8.533 1.00 0.00 O ATOM 0 H ASP A 97 114.744 15.651 -4.143 1.00 0.00 H new ATOM 0 HA ASP A 97 113.514 16.984 -5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 97 115.762 16.350 -6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 97 114.462 15.966 -8.038 1.00 0.00 H new ATOM 1577 N VAL A 98 112.215 14.322 -5.782 1.00 0.00 N ATOM 1578 CA VAL A 98 111.053 13.529 -6.165 1.00 0.00 C ATOM 1579 C VAL A 98 109.789 14.040 -5.480 1.00 0.00 C ATOM 1580 O VAL A 98 109.729 14.128 -4.253 1.00 0.00 O ATOM 1581 CB VAL A 98 111.248 12.042 -5.814 1.00 0.00 C ATOM 1582 CG1 VAL A 98 110.244 11.605 -4.759 1.00 0.00 C ATOM 1583 CG2 VAL A 98 111.131 11.179 -7.062 1.00 0.00 C ATOM 0 H VAL A 98 112.680 14.005 -4.931 1.00 0.00 H new ATOM 0 HA VAL A 98 110.944 13.629 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 98 112.249 11.913 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.398 10.552 -4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 98 110.381 12.201 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.232 11.748 -5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 98 111.272 10.132 -6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 98 110.144 11.311 -7.505 1.00 0.00 H new ATOM 0 HG23 VAL A 98 111.894 11.475 -7.782 1.00 0.00 H new ATOM 1593 N PRO A 99 108.761 14.386 -6.270 1.00 0.00 N ATOM 1594 CA PRO A 99 107.490 14.893 -5.744 1.00 0.00 C ATOM 1595 C PRO A 99 106.848 13.935 -4.744 1.00 0.00 C ATOM 1596 O PRO A 99 107.517 13.069 -4.179 1.00 0.00 O ATOM 1597 CB PRO A 99 106.606 15.041 -6.991 1.00 0.00 C ATOM 1598 CG PRO A 99 107.294 14.262 -8.061 1.00 0.00 C ATOM 1599 CD PRO A 99 108.758 14.312 -7.736 1.00 0.00 C ATOM 0 HA PRO A 99 107.627 15.825 -5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 99 105.603 14.656 -6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 99 106.499 16.088 -7.275 1.00 0.00 H new ATOM 0 HG2 PRO A 99 106.935 13.233 -8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 99 107.098 14.692 -9.043 1.00 0.00 H new ATOM 0 HD2 PRO A 99 109.283 13.428 -8.098 1.00 0.00 H new ATOM 0 HD3 PRO A 99 109.243 15.178 -8.186 1.00 0.00 H new ATOM 1607 N TYR A 100 105.549 14.105 -4.527 1.00 0.00 N ATOM 1608 CA TYR A 100 104.808 13.268 -3.589 1.00 0.00 C ATOM 1609 C TYR A 100 104.213 12.048 -4.289 1.00 0.00 C ATOM 1610 O TYR A 100 104.431 10.912 -3.870 1.00 0.00 O ATOM 1611 CB TYR A 100 103.699 14.096 -2.925 1.00 0.00 C ATOM 1612 CG TYR A 100 102.670 13.283 -2.161 1.00 0.00 C ATOM 1613 CD1 TYR A 100 101.830 12.389 -2.814 1.00 0.00 C ATOM 1614 CD2 TYR A 100 102.527 13.426 -0.785 1.00 0.00 C ATOM 1615 CE1 TYR A 100 100.887 11.660 -2.121 1.00 0.00 C ATOM 1616 CE2 TYR A 100 101.580 12.699 -0.087 1.00 0.00 C ATOM 1617 CZ TYR A 100 100.763 11.817 -0.762 1.00 0.00 C ATOM 1618 OH TYR A 100 99.811 11.097 -0.080 1.00 0.00 O ATOM 0 H TYR A 100 104.985 14.818 -4.990 1.00 0.00 H new ATOM 0 HA TYR A 100 105.498 12.909 -2.825 1.00 0.00 H new ATOM 0 HB2 TYR A 100 104.158 14.810 -2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 100 103.187 14.674 -3.694 1.00 0.00 H new ATOM 0 HD1 TYR A 100 101.917 12.263 -3.883 1.00 0.00 H new ATOM 0 HD2 TYR A 100 103.166 14.116 -0.253 1.00 0.00 H new ATOM 0 HE1 TYR A 100 100.247 10.967 -2.646 1.00 0.00 H new ATOM 0 HE2 TYR A 100 101.481 12.822 0.981 1.00 0.00 H new ATOM 0 HH TYR A 100 100.079 10.155 -0.041 1.00 0.00 H new ATOM 1628 N LYS A 101 103.450 12.294 -5.350 1.00 0.00 N ATOM 1629 CA LYS A 101 102.808 11.216 -6.097 1.00 0.00 C ATOM 1630 C LYS A 101 103.830 10.228 -6.649 1.00 0.00 C ATOM 1631 O LYS A 101 103.604 9.018 -6.638 1.00 0.00 O ATOM 1632 CB LYS A 101 101.968 11.791 -7.238 1.00 0.00 C ATOM 1633 CG LYS A 101 102.794 12.305 -8.407 1.00 0.00 C ATOM 1634 CD LYS A 101 103.043 11.214 -9.436 1.00 0.00 C ATOM 1635 CE LYS A 101 101.826 10.996 -10.321 1.00 0.00 C ATOM 1636 NZ LYS A 101 101.704 12.049 -11.367 1.00 0.00 N ATOM 0 H LYS A 101 103.261 13.229 -5.712 1.00 0.00 H new ATOM 0 HA LYS A 101 102.160 10.676 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 101 101.285 11.022 -7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 101 101.355 12.606 -6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 101 102.278 13.141 -8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 101 103.747 12.685 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 101 103.900 11.483 -10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 101 103.296 10.284 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 101 101.894 10.018 -10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 101 100.926 10.989 -9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 100.882 11.846 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 101.580 12.976 -10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 102.566 12.061 -11.949 1.00 0.00 H new ATOM 1650 N VAL A 102 104.949 10.748 -7.136 1.00 0.00 N ATOM 1651 CA VAL A 102 105.992 9.905 -7.704 1.00 0.00 C ATOM 1652 C VAL A 102 106.483 8.876 -6.696 1.00 0.00 C ATOM 1653 O VAL A 102 106.813 7.748 -7.062 1.00 0.00 O ATOM 1654 CB VAL A 102 107.190 10.742 -8.187 1.00 0.00 C ATOM 1655 CG1 VAL A 102 107.927 11.351 -7.003 1.00 0.00 C ATOM 1656 CG2 VAL A 102 108.130 9.893 -9.030 1.00 0.00 C ATOM 0 H VAL A 102 105.157 11.746 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 102 105.548 9.390 -8.556 1.00 0.00 H new ATOM 0 HB VAL A 102 106.815 11.554 -8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 102 108.771 11.939 -7.363 1.00 0.00 H new ATOM 0 HG12 VAL A 102 107.248 11.995 -6.444 1.00 0.00 H new ATOM 0 HG13 VAL A 102 108.291 10.556 -6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 102 108.971 10.502 -9.362 1.00 0.00 H new ATOM 0 HG22 VAL A 102 108.500 9.058 -8.434 1.00 0.00 H new ATOM 0 HG23 VAL A 102 107.594 9.510 -9.898 1.00 0.00 H new ATOM 1666 N ALA A 103 106.519 9.258 -5.425 1.00 0.00 N ATOM 1667 CA ALA A 103 106.964 8.348 -4.386 1.00 0.00 C ATOM 1668 C ALA A 103 106.067 7.120 -4.338 1.00 0.00 C ATOM 1669 O ALA A 103 106.548 5.992 -4.228 1.00 0.00 O ATOM 1670 CB ALA A 103 106.977 9.051 -3.036 1.00 0.00 C ATOM 0 H ALA A 103 106.247 10.184 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 103 107.979 8.026 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 103 107.313 8.356 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 103 107.655 9.903 -3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 103 105.972 9.398 -2.797 1.00 0.00 H new ATOM 1676 N ILE A 104 104.761 7.349 -4.431 1.00 0.00 N ATOM 1677 CA ILE A 104 103.784 6.272 -4.400 1.00 0.00 C ATOM 1678 C ILE A 104 103.991 5.313 -5.561 1.00 0.00 C ATOM 1679 O ILE A 104 103.697 4.122 -5.461 1.00 0.00 O ATOM 1680 CB ILE A 104 102.349 6.825 -4.439 1.00 0.00 C ATOM 1681 CG1 ILE A 104 101.880 7.171 -3.025 1.00 0.00 C ATOM 1682 CG2 ILE A 104 101.409 5.819 -5.087 1.00 0.00 C ATOM 1683 CD1 ILE A 104 102.888 7.971 -2.224 1.00 0.00 C ATOM 0 H ILE A 104 104.355 8.279 -4.529 1.00 0.00 H new ATOM 0 HA ILE A 104 103.928 5.731 -3.465 1.00 0.00 H new ATOM 0 HB ILE A 104 102.339 7.735 -5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 104 100.950 7.736 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.656 6.248 -2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.398 6.226 -5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.739 5.617 -6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 104 101.416 4.892 -4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 104 102.484 8.178 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 104 103.811 7.400 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 104 103.095 8.911 -2.735 1.00 0.00 H new ATOM 1695 N ASN A 105 104.499 5.846 -6.663 1.00 0.00 N ATOM 1696 CA ASN A 105 104.751 5.043 -7.854 1.00 0.00 C ATOM 1697 C ASN A 105 105.717 3.900 -7.551 1.00 0.00 C ATOM 1698 O ASN A 105 105.664 2.846 -8.184 1.00 0.00 O ATOM 1699 CB ASN A 105 105.314 5.919 -8.975 1.00 0.00 C ATOM 1700 CG ASN A 105 104.336 6.987 -9.422 1.00 0.00 C ATOM 1701 OD1 ASN A 105 103.822 7.755 -8.609 1.00 0.00 O ATOM 1702 ND2 ASN A 105 104.074 7.041 -10.722 1.00 0.00 N ATOM 0 H ASN A 105 104.745 6.831 -6.758 1.00 0.00 H new ATOM 0 HA ASN A 105 103.803 4.614 -8.178 1.00 0.00 H new ATOM 0 HB2 ASN A 105 106.234 6.393 -8.634 1.00 0.00 H new ATOM 0 HB3 ASN A 105 105.576 5.291 -9.826 1.00 0.00 H new ATOM 0 HD21 ASN A 105 103.424 7.739 -11.083 1.00 0.00 H new ATOM 0 HD22 ASN A 105 104.523 6.384 -11.360 1.00 0.00 H new ATOM 1709 N GLU A 106 106.604 4.119 -6.585 1.00 0.00 N ATOM 1710 CA GLU A 106 107.588 3.110 -6.204 1.00 0.00 C ATOM 1711 C GLU A 106 106.938 1.950 -5.451 1.00 0.00 C ATOM 1712 O GLU A 106 107.359 0.801 -5.584 1.00 0.00 O ATOM 1713 CB GLU A 106 108.683 3.740 -5.341 1.00 0.00 C ATOM 1714 CG GLU A 106 109.717 4.516 -6.141 1.00 0.00 C ATOM 1715 CD GLU A 106 110.151 5.793 -5.448 1.00 0.00 C ATOM 1716 OE1 GLU A 106 109.336 6.368 -4.697 1.00 0.00 O ATOM 1717 OE2 GLU A 106 111.308 6.216 -5.656 1.00 0.00 O ATOM 0 H GLU A 106 106.662 4.986 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 106 108.029 2.715 -7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 106 108.222 4.409 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 106 109.187 2.955 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 106 110.589 3.884 -6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 106 109.305 4.760 -7.120 1.00 0.00 H new ATOM 1724 N ALA A 107 105.908 2.253 -4.667 1.00 0.00 N ATOM 1725 CA ALA A 107 105.207 1.232 -3.905 1.00 0.00 C ATOM 1726 C ALA A 107 104.871 0.043 -4.791 1.00 0.00 C ATOM 1727 O ALA A 107 105.514 -1.007 -4.720 1.00 0.00 O ATOM 1728 CB ALA A 107 103.940 1.812 -3.295 1.00 0.00 C ATOM 0 H ALA A 107 105.542 3.197 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 107 105.858 0.889 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 107 103.423 1.039 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 107 104.200 2.637 -2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 107 103.288 2.176 -4.089 1.00 0.00 H new ATOM 1734 N ILE A 108 103.856 0.221 -5.629 1.00 0.00 N ATOM 1735 CA ILE A 108 103.418 -0.830 -6.535 1.00 0.00 C ATOM 1736 C ILE A 108 104.586 -1.410 -7.324 1.00 0.00 C ATOM 1737 O ILE A 108 104.521 -2.543 -7.802 1.00 0.00 O ATOM 1738 CB ILE A 108 102.355 -0.319 -7.526 1.00 0.00 C ATOM 1739 CG1 ILE A 108 101.442 0.705 -6.852 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.541 -1.481 -8.074 1.00 0.00 C ATOM 1741 CD1 ILE A 108 100.183 1.003 -7.638 1.00 0.00 C ATOM 0 H ILE A 108 103.321 1.086 -5.698 1.00 0.00 H new ATOM 0 HA ILE A 108 102.981 -1.610 -5.912 1.00 0.00 H new ATOM 0 HB ILE A 108 102.863 0.170 -8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 108 101.165 0.338 -5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.996 1.632 -6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 108 100.794 -1.104 -8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 108 102.202 -2.177 -8.590 1.00 0.00 H new ATOM 0 HG23 ILE A 108 101.043 -1.995 -7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 108 99.583 1.737 -7.100 1.00 0.00 H new ATOM 0 HD12 ILE A 108 100.451 1.400 -8.617 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.607 0.086 -7.764 1.00 0.00 H new ATOM 1753 N GLU A 109 105.651 -0.628 -7.463 1.00 0.00 N ATOM 1754 CA GLU A 109 106.825 -1.073 -8.203 1.00 0.00 C ATOM 1755 C GLU A 109 107.432 -2.320 -7.570 1.00 0.00 C ATOM 1756 O GLU A 109 107.603 -3.343 -8.233 1.00 0.00 O ATOM 1757 CB GLU A 109 107.869 0.044 -8.267 1.00 0.00 C ATOM 1758 CG GLU A 109 108.140 0.542 -9.677 1.00 0.00 C ATOM 1759 CD GLU A 109 109.410 -0.038 -10.268 1.00 0.00 C ATOM 1760 OE1 GLU A 109 110.178 -0.672 -9.515 1.00 0.00 O ATOM 1761 OE2 GLU A 109 109.636 0.143 -11.482 1.00 0.00 O ATOM 0 H GLU A 109 105.725 0.312 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 109 106.509 -1.323 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 109 107.533 0.880 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 109 108.801 -0.316 -7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 109 107.296 0.285 -10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 109 108.213 1.630 -9.666 1.00 0.00 H new ATOM 1768 N LEU A 110 107.747 -2.235 -6.282 1.00 0.00 N ATOM 1769 CA LEU A 110 108.327 -3.366 -5.569 1.00 0.00 C ATOM 1770 C LEU A 110 107.246 -4.363 -5.167 1.00 0.00 C ATOM 1771 O LEU A 110 107.517 -5.359 -4.497 1.00 0.00 O ATOM 1772 CB LEU A 110 109.092 -2.882 -4.338 1.00 0.00 C ATOM 1773 CG LEU A 110 109.790 -1.531 -4.500 1.00 0.00 C ATOM 1774 CD1 LEU A 110 110.792 -1.311 -3.378 1.00 0.00 C ATOM 1775 CD2 LEU A 110 110.478 -1.444 -5.855 1.00 0.00 C ATOM 0 H LEU A 110 107.611 -1.399 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 110 109.025 -3.871 -6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 110 108.398 -2.817 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.839 -3.631 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 110 109.036 -0.746 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 110 111.279 -0.345 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 110 110.274 -1.329 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 110 111.542 -2.101 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 110 110.969 -0.476 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 110 111.221 -2.238 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 110 109.737 -1.556 -6.647 1.00 0.00 H new ATOM 1787 N ALA A 111 106.019 -4.092 -5.596 1.00 0.00 N ATOM 1788 CA ALA A 111 104.897 -4.965 -5.302 1.00 0.00 C ATOM 1789 C ALA A 111 104.482 -5.736 -6.550 1.00 0.00 C ATOM 1790 O ALA A 111 103.528 -6.513 -6.525 1.00 0.00 O ATOM 1791 CB ALA A 111 103.728 -4.152 -4.768 1.00 0.00 C ATOM 0 H ALA A 111 105.779 -3.270 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 111 105.202 -5.682 -4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 111 102.892 -4.817 -4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 111 104.029 -3.638 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.424 -3.418 -5.515 1.00 0.00 H new ATOM 1797 N LYS A 112 105.199 -5.506 -7.648 1.00 0.00 N ATOM 1798 CA LYS A 112 104.898 -6.171 -8.908 1.00 0.00 C ATOM 1799 C LYS A 112 106.015 -7.127 -9.320 1.00 0.00 C ATOM 1800 O LYS A 112 105.982 -7.687 -10.416 1.00 0.00 O ATOM 1801 CB LYS A 112 104.684 -5.133 -10.007 1.00 0.00 C ATOM 1802 CG LYS A 112 103.244 -5.037 -10.483 1.00 0.00 C ATOM 1803 CD LYS A 112 103.003 -3.763 -11.276 1.00 0.00 C ATOM 1804 CE LYS A 112 101.831 -3.915 -12.232 1.00 0.00 C ATOM 1805 NZ LYS A 112 102.161 -4.806 -13.379 1.00 0.00 N ATOM 0 H LYS A 112 105.991 -4.864 -7.688 1.00 0.00 H new ATOM 0 HA LYS A 112 103.988 -6.753 -8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.002 -4.157 -9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 112 105.323 -5.378 -10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 112 103.006 -5.902 -11.102 1.00 0.00 H new ATOM 0 HG3 LYS A 112 102.573 -5.065 -9.624 1.00 0.00 H new ATOM 0 HD2 LYS A 112 102.810 -2.938 -10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 112 103.901 -3.507 -11.838 1.00 0.00 H new ATOM 0 HE2 LYS A 112 100.974 -4.319 -11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 112 101.539 -2.934 -12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 101.750 -4.416 -14.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 103.194 -4.871 -13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 101.770 -5.754 -13.206 1.00 0.00 H new ATOM 1819 N SER A 113 107.006 -7.308 -8.451 1.00 0.00 N ATOM 1820 CA SER A 113 108.121 -8.198 -8.766 1.00 0.00 C ATOM 1821 C SER A 113 109.040 -8.434 -7.567 1.00 0.00 C ATOM 1822 O SER A 113 109.647 -9.499 -7.448 1.00 0.00 O ATOM 1823 CB SER A 113 108.935 -7.616 -9.923 1.00 0.00 C ATOM 1824 OG SER A 113 109.645 -8.631 -10.610 1.00 0.00 O ATOM 0 H SER A 113 107.061 -6.858 -7.537 1.00 0.00 H new ATOM 0 HA SER A 113 107.694 -9.161 -9.047 1.00 0.00 H new ATOM 0 HB2 SER A 113 108.270 -7.101 -10.616 1.00 0.00 H new ATOM 0 HB3 SER A 113 109.635 -6.873 -9.541 1.00 0.00 H new ATOM 0 HG SER A 113 110.156 -8.233 -11.345 1.00 0.00 H new ATOM 1830 N PHE A 114 109.165 -7.438 -6.696 1.00 0.00 N ATOM 1831 CA PHE A 114 110.040 -7.552 -5.532 1.00 0.00 C ATOM 1832 C PHE A 114 109.424 -8.403 -4.421 1.00 0.00 C ATOM 1833 O PHE A 114 109.952 -8.451 -3.310 1.00 0.00 O ATOM 1834 CB PHE A 114 110.388 -6.166 -4.989 1.00 0.00 C ATOM 1835 CG PHE A 114 111.474 -5.474 -5.762 1.00 0.00 C ATOM 1836 CD1 PHE A 114 111.191 -4.835 -6.958 1.00 0.00 C ATOM 1837 CD2 PHE A 114 112.776 -5.461 -5.290 1.00 0.00 C ATOM 1838 CE1 PHE A 114 112.188 -4.195 -7.670 1.00 0.00 C ATOM 1839 CE2 PHE A 114 113.778 -4.824 -5.999 1.00 0.00 C ATOM 1840 CZ PHE A 114 113.482 -4.190 -7.190 1.00 0.00 C ATOM 0 H PHE A 114 108.675 -6.547 -6.772 1.00 0.00 H new ATOM 0 HA PHE A 114 110.948 -8.054 -5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 114 109.492 -5.545 -5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.697 -6.260 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 114 110.180 -4.837 -7.338 1.00 0.00 H new ATOM 0 HD2 PHE A 114 113.011 -5.954 -4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 114 111.955 -3.699 -8.601 1.00 0.00 H new ATOM 0 HE2 PHE A 114 114.790 -4.822 -5.622 1.00 0.00 H new ATOM 0 HZ PHE A 114 114.262 -3.691 -7.745 1.00 0.00 H new ATOM 1850 N GLY A 115 108.317 -9.081 -4.714 1.00 0.00 N ATOM 1851 CA GLY A 115 107.687 -9.915 -3.706 1.00 0.00 C ATOM 1852 C GLY A 115 106.214 -10.161 -3.966 1.00 0.00 C ATOM 1853 O GLY A 115 105.762 -11.306 -3.976 1.00 0.00 O ATOM 0 H GLY A 115 107.850 -9.068 -5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 115 108.206 -10.873 -3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 115 107.803 -9.443 -2.730 1.00 0.00 H new ATOM 1857 N ALA A 116 105.461 -9.086 -4.167 1.00 0.00 N ATOM 1858 CA ALA A 116 104.029 -9.197 -4.416 1.00 0.00 C ATOM 1859 C ALA A 116 103.747 -9.674 -5.835 1.00 0.00 C ATOM 1860 O ALA A 116 104.656 -9.776 -6.659 1.00 0.00 O ATOM 1861 CB ALA A 116 103.348 -7.862 -4.158 1.00 0.00 C ATOM 0 H ALA A 116 105.817 -8.130 -4.162 1.00 0.00 H new ATOM 0 HA ALA A 116 103.623 -9.941 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 116 102.279 -7.956 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 116 103.508 -7.566 -3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 116 103.768 -7.105 -4.820 1.00 0.00 H new ATOM 1867 N GLU A 117 102.480 -9.967 -6.112 1.00 0.00 N ATOM 1868 CA GLU A 117 102.071 -10.437 -7.430 1.00 0.00 C ATOM 1869 C GLU A 117 102.488 -9.447 -8.514 1.00 0.00 C ATOM 1870 O GLU A 117 103.465 -8.716 -8.356 1.00 0.00 O ATOM 1871 CB GLU A 117 100.557 -10.648 -7.470 1.00 0.00 C ATOM 1872 CG GLU A 117 99.762 -9.354 -7.506 1.00 0.00 C ATOM 1873 CD GLU A 117 98.566 -9.377 -6.574 1.00 0.00 C ATOM 1874 OE1 GLU A 117 98.082 -10.484 -6.257 1.00 0.00 O ATOM 1875 OE2 GLU A 117 98.113 -8.289 -6.162 1.00 0.00 O ATOM 0 H GLU A 117 101.718 -9.887 -5.439 1.00 0.00 H new ATOM 0 HA GLU A 117 102.569 -11.388 -7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 117 100.305 -11.244 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 117 100.256 -11.225 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 117 100.414 -8.524 -7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 117 99.420 -9.170 -8.525 1.00 0.00 H new ATOM 1882 N ASP A 118 101.743 -9.429 -9.614 1.00 0.00 N ATOM 1883 CA ASP A 118 102.040 -8.528 -10.722 1.00 0.00 C ATOM 1884 C ASP A 118 101.187 -7.266 -10.641 1.00 0.00 C ATOM 1885 O ASP A 118 100.617 -6.826 -11.639 1.00 0.00 O ATOM 1886 CB ASP A 118 101.801 -9.234 -12.057 1.00 0.00 C ATOM 1887 CG ASP A 118 102.901 -8.956 -13.063 1.00 0.00 C ATOM 1888 OD1 ASP A 118 103.283 -7.776 -13.213 1.00 0.00 O ATOM 1889 OD2 ASP A 118 103.380 -9.916 -13.701 1.00 0.00 O ATOM 0 H ASP A 118 100.930 -10.027 -9.762 1.00 0.00 H new ATOM 0 HA ASP A 118 103.089 -8.240 -10.653 1.00 0.00 H new ATOM 0 HB2 ASP A 118 101.729 -10.309 -11.889 1.00 0.00 H new ATOM 0 HB3 ASP A 118 100.845 -8.911 -12.470 1.00 0.00 H new ATOM 1894 N SER A 119 101.106 -6.684 -9.448 1.00 0.00 N ATOM 1895 CA SER A 119 100.323 -5.471 -9.245 1.00 0.00 C ATOM 1896 C SER A 119 100.388 -5.010 -7.792 1.00 0.00 C ATOM 1897 O SER A 119 101.275 -4.246 -7.411 1.00 0.00 O ATOM 1898 CB SER A 119 98.867 -5.704 -9.650 1.00 0.00 C ATOM 1899 OG SER A 119 98.566 -7.086 -9.701 1.00 0.00 O ATOM 0 H SER A 119 101.572 -7.032 -8.610 1.00 0.00 H new ATOM 0 HA SER A 119 100.750 -4.689 -9.873 1.00 0.00 H new ATOM 0 HB2 SER A 119 98.205 -5.211 -8.938 1.00 0.00 H new ATOM 0 HB3 SER A 119 98.681 -5.252 -10.624 1.00 0.00 H new ATOM 0 HG SER A 119 97.629 -7.207 -9.961 1.00 0.00 H new ATOM 1905 N HIS A 120 99.438 -5.473 -6.985 1.00 0.00 N ATOM 1906 CA HIS A 120 99.383 -5.104 -5.576 1.00 0.00 C ATOM 1907 C HIS A 120 99.166 -3.602 -5.421 1.00 0.00 C ATOM 1908 O HIS A 120 99.968 -2.906 -4.798 1.00 0.00 O ATOM 1909 CB HIS A 120 100.666 -5.529 -4.861 1.00 0.00 C ATOM 1910 CG HIS A 120 100.426 -6.420 -3.681 1.00 0.00 C ATOM 1911 ND1 HIS A 120 99.280 -7.175 -3.528 1.00 0.00 N ATOM 1912 CD2 HIS A 120 101.189 -6.677 -2.592 1.00 0.00 C ATOM 1913 CE1 HIS A 120 99.351 -7.855 -2.397 1.00 0.00 C ATOM 1914 NE2 HIS A 120 100.499 -7.570 -1.811 1.00 0.00 N ATOM 0 H HIS A 120 98.695 -6.105 -7.284 1.00 0.00 H new ATOM 0 HA HIS A 120 98.541 -5.624 -5.120 1.00 0.00 H new ATOM 0 HB2 HIS A 120 101.314 -6.045 -5.570 1.00 0.00 H new ATOM 0 HB3 HIS A 120 101.201 -4.638 -4.531 1.00 0.00 H new ATOM 0 HD2 HIS A 120 102.161 -6.257 -2.378 1.00 0.00 H new ATOM 0 HE1 HIS A 120 98.598 -8.529 -2.017 1.00 0.00 H new ATOM 0 HE2 HIS A 120 100.821 -7.952 -0.922 1.00 0.00 H new ATOM 1923 N LYS A 121 98.072 -3.112 -5.995 1.00 0.00 N ATOM 1924 CA LYS A 121 97.739 -1.694 -5.926 1.00 0.00 C ATOM 1925 C LYS A 121 97.485 -1.268 -4.487 1.00 0.00 C ATOM 1926 O LYS A 121 97.729 -0.120 -4.113 1.00 0.00 O ATOM 1927 CB LYS A 121 96.500 -1.406 -6.772 1.00 0.00 C ATOM 1928 CG LYS A 121 95.230 -2.032 -6.222 1.00 0.00 C ATOM 1929 CD LYS A 121 94.054 -1.824 -7.162 1.00 0.00 C ATOM 1930 CE LYS A 121 92.910 -1.098 -6.472 1.00 0.00 C ATOM 1931 NZ LYS A 121 92.153 -0.230 -7.415 1.00 0.00 N ATOM 0 H LYS A 121 97.400 -3.677 -6.514 1.00 0.00 H new ATOM 0 HA LYS A 121 98.584 -1.126 -6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 121 96.362 -0.327 -6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 121 96.668 -1.774 -7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 121 95.387 -3.099 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 121 95.001 -1.597 -5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 121 94.378 -1.251 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 121 93.705 -2.789 -7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 121 92.233 -1.827 -6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 121 93.304 -0.491 -5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 91.382 0.247 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 92.793 0.483 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 91.755 -0.812 -8.179 1.00 0.00 H new ATOM 1945 N PHE A 122 96.989 -2.202 -3.686 1.00 0.00 N ATOM 1946 CA PHE A 122 96.689 -1.930 -2.286 1.00 0.00 C ATOM 1947 C PHE A 122 97.935 -1.450 -1.549 1.00 0.00 C ATOM 1948 O PHE A 122 97.848 -0.616 -0.647 1.00 0.00 O ATOM 1949 CB PHE A 122 96.132 -3.182 -1.608 1.00 0.00 C ATOM 1950 CG PHE A 122 96.698 -3.424 -0.238 1.00 0.00 C ATOM 1951 CD1 PHE A 122 97.987 -3.905 -0.080 1.00 0.00 C ATOM 1952 CD2 PHE A 122 95.939 -3.170 0.894 1.00 0.00 C ATOM 1953 CE1 PHE A 122 98.510 -4.128 1.180 1.00 0.00 C ATOM 1954 CE2 PHE A 122 96.455 -3.390 2.156 1.00 0.00 C ATOM 1955 CZ PHE A 122 97.743 -3.871 2.299 1.00 0.00 C ATOM 0 H PHE A 122 96.786 -3.157 -3.982 1.00 0.00 H new ATOM 0 HA PHE A 122 95.937 -1.142 -2.247 1.00 0.00 H new ATOM 0 HB2 PHE A 122 95.048 -3.094 -1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 122 96.339 -4.048 -2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 122 98.591 -4.108 -0.952 1.00 0.00 H new ATOM 0 HD2 PHE A 122 94.932 -2.795 0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 122 99.517 -4.503 1.289 1.00 0.00 H new ATOM 0 HE2 PHE A 122 95.853 -3.187 3.030 1.00 0.00 H new ATOM 0 HZ PHE A 122 98.149 -4.046 3.285 1.00 0.00 H new ATOM 1965 N VAL A 123 99.093 -1.967 -1.943 1.00 0.00 N ATOM 1966 CA VAL A 123 100.347 -1.570 -1.318 1.00 0.00 C ATOM 1967 C VAL A 123 100.625 -0.095 -1.570 1.00 0.00 C ATOM 1968 O VAL A 123 101.092 0.621 -0.688 1.00 0.00 O ATOM 1969 CB VAL A 123 101.541 -2.386 -1.841 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.131 -3.819 -2.144 1.00 0.00 C ATOM 1971 CG2 VAL A 123 102.146 -1.717 -3.066 1.00 0.00 C ATOM 0 H VAL A 123 99.189 -2.658 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 123 100.235 -1.759 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 123 102.302 -2.419 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 123 101.994 -4.374 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 123 100.757 -4.290 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 123 100.348 -3.821 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 123 102.990 -2.307 -3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 123 101.393 -1.647 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.489 -0.717 -2.802 1.00 0.00 H new ATOM 1981 N ASN A 124 100.336 0.350 -2.786 1.00 0.00 N ATOM 1982 CA ASN A 124 100.559 1.740 -3.157 1.00 0.00 C ATOM 1983 C ASN A 124 99.825 2.674 -2.204 1.00 0.00 C ATOM 1984 O ASN A 124 100.301 3.769 -1.903 1.00 0.00 O ATOM 1985 CB ASN A 124 100.096 1.988 -4.595 1.00 0.00 C ATOM 1986 CG ASN A 124 99.050 3.082 -4.684 1.00 0.00 C ATOM 1987 OD1 ASN A 124 99.295 4.148 -5.249 1.00 0.00 O ATOM 1988 ND2 ASN A 124 97.874 2.821 -4.126 1.00 0.00 N ATOM 0 H ASN A 124 99.948 -0.230 -3.530 1.00 0.00 H new ATOM 0 HA ASN A 124 101.628 1.945 -3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 124 100.955 2.259 -5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 124 99.689 1.065 -5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 124 97.130 3.518 -4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 124 97.715 1.924 -3.668 1.00 0.00 H new ATOM 1995 N GLY A 125 98.670 2.230 -1.718 1.00 0.00 N ATOM 1996 CA GLY A 125 97.902 3.042 -0.798 1.00 0.00 C ATOM 1997 C GLY A 125 98.676 3.339 0.467 1.00 0.00 C ATOM 1998 O GLY A 125 98.559 4.425 1.034 1.00 0.00 O ATOM 0 H GLY A 125 98.255 1.326 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.625 3.978 -1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.975 2.527 -0.545 1.00 0.00 H new ATOM 2002 N VAL A 126 99.490 2.382 0.895 1.00 0.00 N ATOM 2003 CA VAL A 126 100.305 2.562 2.086 1.00 0.00 C ATOM 2004 C VAL A 126 101.212 3.764 1.912 1.00 0.00 C ATOM 2005 O VAL A 126 101.374 4.573 2.826 1.00 0.00 O ATOM 2006 CB VAL A 126 101.169 1.319 2.381 1.00 0.00 C ATOM 2007 CG1 VAL A 126 100.437 0.045 1.986 1.00 0.00 C ATOM 2008 CG2 VAL A 126 102.514 1.419 1.669 1.00 0.00 C ATOM 0 H VAL A 126 99.602 1.478 0.436 1.00 0.00 H new ATOM 0 HA VAL A 126 99.628 2.717 2.926 1.00 0.00 H new ATOM 0 HB VAL A 126 101.355 1.279 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 126 101.066 -0.818 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 126 99.508 -0.031 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 126 100.212 0.071 0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 126 103.109 0.533 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 126 102.352 1.489 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 126 103.044 2.307 2.015 1.00 0.00 H new ATOM 2018 N LEU A 127 101.786 3.887 0.723 1.00 0.00 N ATOM 2019 CA LEU A 127 102.658 5.005 0.422 1.00 0.00 C ATOM 2020 C LEU A 127 101.852 6.290 0.325 1.00 0.00 C ATOM 2021 O LEU A 127 102.349 7.370 0.633 1.00 0.00 O ATOM 2022 CB LEU A 127 103.437 4.757 -0.867 1.00 0.00 C ATOM 2023 CG LEU A 127 104.956 4.841 -0.715 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.611 5.070 -2.059 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.342 5.955 0.246 1.00 0.00 C ATOM 0 H LEU A 127 101.662 3.227 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 127 103.378 5.107 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 127 103.177 3.770 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 127 103.118 5.483 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 127 105.307 3.893 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.692 5.127 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 127 105.367 4.244 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.246 6.004 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.427 5.996 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 127 104.974 6.908 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.902 5.761 1.224 1.00 0.00 H new ATOM 2037 N ASP A 128 100.598 6.164 -0.101 1.00 0.00 N ATOM 2038 CA ASP A 128 99.721 7.319 -0.228 1.00 0.00 C ATOM 2039 C ASP A 128 99.520 7.976 1.132 1.00 0.00 C ATOM 2040 O ASP A 128 99.599 9.197 1.261 1.00 0.00 O ATOM 2041 CB ASP A 128 98.371 6.903 -0.815 1.00 0.00 C ATOM 2042 CG ASP A 128 97.700 8.029 -1.577 1.00 0.00 C ATOM 2043 OD1 ASP A 128 98.288 8.509 -2.569 1.00 0.00 O ATOM 2044 OD2 ASP A 128 96.585 8.431 -1.181 1.00 0.00 O ATOM 0 H ASP A 128 100.170 5.276 -0.363 1.00 0.00 H new ATOM 0 HA ASP A 128 100.187 8.037 -0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 128 98.514 6.052 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.715 6.571 -0.010 1.00 0.00 H new ATOM 2049 N LYS A 129 99.270 7.155 2.147 1.00 0.00 N ATOM 2050 CA LYS A 129 99.074 7.656 3.500 1.00 0.00 C ATOM 2051 C LYS A 129 100.413 8.032 4.126 1.00 0.00 C ATOM 2052 O LYS A 129 100.536 9.071 4.776 1.00 0.00 O ATOM 2053 CB LYS A 129 98.369 6.605 4.361 1.00 0.00 C ATOM 2054 CG LYS A 129 97.228 5.899 3.647 1.00 0.00 C ATOM 2055 CD LYS A 129 96.021 6.809 3.492 1.00 0.00 C ATOM 2056 CE LYS A 129 95.136 6.369 2.337 1.00 0.00 C ATOM 2057 NZ LYS A 129 94.438 7.520 1.701 1.00 0.00 N ATOM 0 H LYS A 129 99.199 6.141 2.057 1.00 0.00 H new ATOM 0 HA LYS A 129 98.447 8.546 3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 129 99.099 5.863 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.982 7.084 5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.563 5.566 2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 129 96.944 5.007 4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 129 95.442 6.808 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 129 96.355 7.833 3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 129 95.742 5.855 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 129 94.399 5.652 2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 93.845 7.177 0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 93.839 7.996 2.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 95.141 8.192 1.334 1.00 0.00 H new ATOM 2071 N ALA A 130 101.414 7.179 3.923 1.00 0.00 N ATOM 2072 CA ALA A 130 102.750 7.421 4.462 1.00 0.00 C ATOM 2073 C ALA A 130 103.483 8.532 3.703 1.00 0.00 C ATOM 2074 O ALA A 130 104.382 9.175 4.241 1.00 0.00 O ATOM 2075 CB ALA A 130 103.566 6.138 4.430 1.00 0.00 C ATOM 0 H ALA A 130 101.326 6.314 3.389 1.00 0.00 H new ATOM 0 HA ALA A 130 102.633 7.752 5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 130 104.560 6.329 4.834 1.00 0.00 H new ATOM 0 HB2 ALA A 130 103.070 5.376 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.653 5.788 3.401 1.00 0.00 H new ATOM 2081 N ALA A 131 103.107 8.749 2.449 1.00 0.00 N ATOM 2082 CA ALA A 131 103.749 9.771 1.627 1.00 0.00 C ATOM 2083 C ALA A 131 103.715 11.130 2.314 1.00 0.00 C ATOM 2084 O ALA A 131 104.744 11.785 2.478 1.00 0.00 O ATOM 2085 CB ALA A 131 103.088 9.834 0.254 1.00 0.00 C ATOM 0 H ALA A 131 102.363 8.234 1.979 1.00 0.00 H new ATOM 0 HA ALA A 131 104.796 9.498 1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 131 103.575 10.600 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 131 103.183 8.867 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 131 102.032 10.080 0.369 1.00 0.00 H new ATOM 2091 N PRO A 132 102.522 11.560 2.728 1.00 0.00 N ATOM 2092 CA PRO A 132 102.323 12.840 3.409 1.00 0.00 C ATOM 2093 C PRO A 132 102.756 12.793 4.872 1.00 0.00 C ATOM 2094 O PRO A 132 102.674 13.793 5.586 1.00 0.00 O ATOM 2095 CB PRO A 132 100.813 13.048 3.307 1.00 0.00 C ATOM 2096 CG PRO A 132 100.249 11.668 3.264 1.00 0.00 C ATOM 2097 CD PRO A 132 101.266 10.819 2.558 1.00 0.00 C ATOM 0 HA PRO A 132 102.915 13.641 2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.431 13.607 4.161 1.00 0.00 H new ATOM 0 HB3 PRO A 132 100.549 13.613 2.413 1.00 0.00 H new ATOM 0 HG2 PRO A 132 100.061 11.293 4.270 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.296 11.654 2.735 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.328 9.822 2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 132 101.017 10.690 1.505 1.00 0.00 H new ATOM 2105 N VAL A 133 103.211 11.623 5.314 1.00 0.00 N ATOM 2106 CA VAL A 133 103.650 11.445 6.692 1.00 0.00 C ATOM 2107 C VAL A 133 105.088 11.919 6.884 1.00 0.00 C ATOM 2108 O VAL A 133 105.364 12.764 7.735 1.00 0.00 O ATOM 2109 CB VAL A 133 103.544 9.973 7.128 1.00 0.00 C ATOM 2110 CG1 VAL A 133 104.230 9.765 8.468 1.00 0.00 C ATOM 2111 CG2 VAL A 133 102.087 9.540 7.193 1.00 0.00 C ATOM 0 H VAL A 133 103.285 10.785 4.737 1.00 0.00 H new ATOM 0 HA VAL A 133 102.989 12.050 7.312 1.00 0.00 H new ATOM 0 HB VAL A 133 104.050 9.354 6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 133 104.146 8.719 8.761 1.00 0.00 H new ATOM 0 HG12 VAL A 133 105.283 10.034 8.383 1.00 0.00 H new ATOM 0 HG13 VAL A 133 103.754 10.393 9.222 1.00 0.00 H new ATOM 0 HG21 VAL A 133 102.031 8.496 7.503 1.00 0.00 H new ATOM 0 HG22 VAL A 133 101.555 10.161 7.913 1.00 0.00 H new ATOM 0 HG23 VAL A 133 101.630 9.651 6.210 1.00 0.00 H new ATOM 2121 N ILE A 134 106.003 11.370 6.090 1.00 0.00 N ATOM 2122 CA ILE A 134 107.408 11.738 6.177 1.00 0.00 C ATOM 2123 C ILE A 134 107.605 13.219 5.873 1.00 0.00 C ATOM 2124 O ILE A 134 108.556 13.840 6.348 1.00 0.00 O ATOM 2125 CB ILE A 134 108.261 10.911 5.199 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.322 10.116 5.958 1.00 0.00 C ATOM 2127 CG2 ILE A 134 108.909 11.820 4.168 1.00 0.00 C ATOM 2128 CD1 ILE A 134 109.210 8.618 5.784 1.00 0.00 C ATOM 0 H ILE A 134 105.794 10.669 5.380 1.00 0.00 H new ATOM 0 HA ILE A 134 107.730 11.531 7.198 1.00 0.00 H new ATOM 0 HB ILE A 134 107.612 10.206 4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.309 10.437 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.250 10.355 7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 134 109.510 11.222 3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 134 108.135 12.346 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 134 109.548 12.545 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 134 109.998 8.126 6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 134 108.238 8.282 6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 134 109.313 8.366 4.729 1.00 0.00 H new ATOM 2140 N ARG A 135 106.699 13.778 5.076 1.00 0.00 N ATOM 2141 CA ARG A 135 106.771 15.182 4.705 1.00 0.00 C ATOM 2142 C ARG A 135 106.010 16.049 5.702 1.00 0.00 C ATOM 2143 O ARG A 135 105.252 15.546 6.532 1.00 0.00 O ATOM 2144 CB ARG A 135 106.205 15.384 3.299 1.00 0.00 C ATOM 2145 CG ARG A 135 107.264 15.369 2.210 1.00 0.00 C ATOM 2146 CD ARG A 135 106.661 15.062 0.849 1.00 0.00 C ATOM 2147 NE ARG A 135 107.635 14.456 -0.054 1.00 0.00 N ATOM 2148 CZ ARG A 135 107.608 14.596 -1.376 1.00 0.00 C ATOM 2149 NH1 ARG A 135 106.652 15.313 -1.952 1.00 0.00 N ATOM 2150 NH2 ARG A 135 108.536 14.016 -2.123 1.00 0.00 N ATOM 0 H ARG A 135 105.906 13.277 4.676 1.00 0.00 H new ATOM 0 HA ARG A 135 107.818 15.484 4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 135 105.474 14.602 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 135 105.673 16.334 3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 135 107.766 16.336 2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 135 108.023 14.624 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 135 105.812 14.389 0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 135 106.278 15.981 0.406 1.00 0.00 H new ATOM 0 HE ARG A 135 108.381 13.892 0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 135 105.935 15.759 -1.380 1.00 0.00 H new ATOM 0 HH12 ARG A 135 106.634 15.418 -2.966 1.00 0.00 H new ATOM 0 HH21 ARG A 135 109.271 13.462 -1.684 1.00 0.00 H new ATOM 0 HH22 ARG A 135 108.515 14.124 -3.137 1.00 0.00 H new ATOM 2164 N PRO A 136 106.208 17.370 5.624 1.00 0.00 N ATOM 2165 CA PRO A 136 105.546 18.334 6.510 1.00 0.00 C ATOM 2166 C PRO A 136 104.026 18.208 6.466 1.00 0.00 C ATOM 2167 O PRO A 136 103.344 18.460 7.459 1.00 0.00 O ATOM 2168 CB PRO A 136 105.986 19.698 5.962 1.00 0.00 C ATOM 2169 CG PRO A 136 106.531 19.421 4.600 1.00 0.00 C ATOM 2170 CD PRO A 136 107.091 18.031 4.659 1.00 0.00 C ATOM 0 HA PRO A 136 105.818 18.177 7.554 1.00 0.00 H new ATOM 0 HB2 PRO A 136 105.147 20.392 5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 136 106.741 20.154 6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 136 105.750 19.496 3.844 1.00 0.00 H new ATOM 0 HG3 PRO A 136 107.303 20.143 4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 136 107.065 17.542 3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 136 108.129 18.026 4.991 1.00 0.00 H new ATOM 2178 N ASN A 137 103.503 17.817 5.309 1.00 0.00 N ATOM 2179 CA ASN A 137 102.065 17.659 5.136 1.00 0.00 C ATOM 2180 C ASN A 137 101.686 17.710 3.658 1.00 0.00 C ATOM 2181 O ASN A 137 101.495 18.787 3.093 1.00 0.00 O ATOM 2182 CB ASN A 137 101.313 18.747 5.905 1.00 0.00 C ATOM 2183 CG ASN A 137 100.023 19.154 5.220 1.00 0.00 C ATOM 2184 OD1 ASN A 137 99.052 18.398 5.200 1.00 0.00 O ATOM 2185 ND2 ASN A 137 100.007 20.355 4.654 1.00 0.00 N ATOM 0 H ASN A 137 104.054 17.604 4.477 1.00 0.00 H new ATOM 0 HA ASN A 137 101.782 16.684 5.532 1.00 0.00 H new ATOM 0 HB2 ASN A 137 101.090 18.389 6.910 1.00 0.00 H new ATOM 0 HB3 ASN A 137 101.955 19.621 6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 137 99.167 20.684 4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 137 100.835 20.949 4.695 1.00 0.00 H new ATOM 2192 N LYS A 138 101.577 16.539 3.040 1.00 0.00 N ATOM 2193 CA LYS A 138 101.221 16.450 1.629 1.00 0.00 C ATOM 2194 C LYS A 138 101.879 17.570 0.830 1.00 0.00 C ATOM 2195 O LYS A 138 101.206 18.326 0.131 1.00 0.00 O ATOM 2196 CB LYS A 138 99.702 16.512 1.460 1.00 0.00 C ATOM 2197 CG LYS A 138 98.950 15.534 2.348 1.00 0.00 C ATOM 2198 CD LYS A 138 97.480 15.902 2.461 1.00 0.00 C ATOM 2199 CE LYS A 138 97.258 17.007 3.481 1.00 0.00 C ATOM 2200 NZ LYS A 138 95.843 17.471 3.498 1.00 0.00 N ATOM 0 H LYS A 138 101.730 15.639 3.494 1.00 0.00 H new ATOM 0 HA LYS A 138 101.584 15.495 1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 138 99.362 17.524 1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 138 99.452 16.310 0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 138 99.044 14.527 1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 138 99.400 15.522 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 138 97.109 16.224 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 138 96.904 15.021 2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 138 97.534 16.647 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 138 97.913 17.848 3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 95.733 18.224 4.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 95.587 17.838 2.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 95.219 16.675 3.740 1.00 0.00 H new ATOM 2214 N LYS A 139 103.201 17.670 0.939 1.00 0.00 N ATOM 2215 CA LYS A 139 103.951 18.698 0.227 1.00 0.00 C ATOM 2216 C LYS A 139 103.568 20.089 0.718 1.00 0.00 C ATOM 2217 O LYS A 139 103.026 20.192 1.838 1.00 0.00 O ATOM 2218 CB LYS A 139 103.703 18.589 -1.279 1.00 0.00 C ATOM 2219 CG LYS A 139 104.933 18.885 -2.121 1.00 0.00 C ATOM 2220 CD LYS A 139 105.250 20.372 -2.140 1.00 0.00 C ATOM 2221 CE LYS A 139 106.053 20.754 -3.372 1.00 0.00 C ATOM 2222 NZ LYS A 139 107.519 20.723 -3.111 1.00 0.00 N ATOM 2223 OXT LYS A 139 103.812 21.065 -0.023 1.00 0.00 O ATOM 0 H LYS A 139 103.774 17.052 1.513 1.00 0.00 H new ATOM 0 HA LYS A 139 105.011 18.542 0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 139 103.349 17.584 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 139 102.907 19.279 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 139 105.787 18.335 -1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 139 104.771 18.533 -3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 139 104.322 20.943 -2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 139 105.809 20.637 -1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 139 105.815 20.070 -4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 139 105.763 21.753 -3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 108.031 20.990 -3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 107.751 21.394 -2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 107.800 19.764 -2.824 1.00 0.00 H new TER 2237 LYS A 139