USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 976 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 145 THR OG1 : rot 46:sc= 0.102 USER MOD Set 1.2: A 147 HIS : no HD1:sc= -0.52 X(o=-0.42,f=-0.8) USER MOD Set 2.1: A 5 SER OG : rot 150:sc= -0.734 USER MOD Set 2.2: A 106 TYR OH : rot 150:sc= 0 USER MOD Set 2.3: A 110 GLN : amide:sc= 0.0469 X(o=-0.69,f=-0.63) USER MOD Set 2.4: A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.5: A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.257) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.87 (180deg=1.68) USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.17) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0837 X(o=-0.084,f=-0.33) USER MOD Single : A 33 TYR OH : rot 123:sc= -0.0502 USER MOD Single : A 35 SER OG : rot -13:sc= 0.0622 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0572 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -135:sc= 1.25 USER MOD Single : A 61 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.6) USER MOD Single : A 64 MET CE :methyl 148:sc= -0.0793 (180deg=-1.73!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -43:sc= 0.311 USER MOD Single : A 77 HIS : no HD1:sc=-0.00671 X(o=-0.0067,f=-0.31) USER MOD Single : A 81 SER OG : rot 170:sc= 0 USER MOD Single : A 91 SER OG : rot -17:sc= 0.654 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 116:sc= -0.379 USER MOD Single : A 112 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.13) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -31:sc= -0.116 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -170:sc= -0.427 USER MOD Single : A 153 GLN : amide:sc= -0.422 K(o=-0.42,f=-4.4!) USER MOD Single : A 158 SER OG : rot 168:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.851 -3.356 -13.077 1.00 0.00 N ATOM 2 CA MET A 1 -9.657 -3.059 -11.854 1.00 0.00 C ATOM 3 C MET A 1 -9.677 -4.213 -10.781 1.00 0.00 C ATOM 4 O MET A 1 -10.734 -4.770 -10.472 1.00 0.00 O ATOM 5 CB MET A 1 -11.066 -2.606 -12.346 1.00 0.00 C ATOM 6 CG MET A 1 -11.895 -1.805 -11.309 1.00 0.00 C ATOM 7 SD MET A 1 -13.631 -2.315 -11.287 1.00 0.00 S ATOM 8 CE MET A 1 -14.212 -1.834 -12.926 1.00 0.00 C ATOM 0 H1 MET A 1 -8.709 -2.481 -13.620 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.927 -3.744 -12.798 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.355 -4.051 -13.665 1.00 0.00 H new ATOM 0 HA MET A 1 -9.185 -2.257 -11.287 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.943 -1.995 -13.240 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.634 -3.489 -12.639 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.464 -1.942 -10.317 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.833 -0.741 -11.539 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.301 -1.794 -12.929 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.812 -0.852 -13.180 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.874 -2.565 -13.661 1.00 0.00 H new ATOM 20 N GLU A 2 -8.514 -4.541 -10.191 1.00 0.00 N ATOM 21 CA GLU A 2 -8.428 -5.295 -8.896 1.00 0.00 C ATOM 22 C GLU A 2 -7.815 -4.375 -7.762 1.00 0.00 C ATOM 23 O GLU A 2 -7.673 -3.157 -7.937 1.00 0.00 O ATOM 24 CB GLU A 2 -7.756 -6.686 -9.161 1.00 0.00 C ATOM 25 CG GLU A 2 -6.208 -6.713 -9.274 1.00 0.00 C ATOM 26 CD GLU A 2 -5.532 -8.014 -9.658 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.580 -8.982 -8.876 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.863 -8.039 -10.711 1.00 0.00 O ATOM 0 H GLU A 2 -7.604 -4.300 -10.583 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.407 -5.548 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.048 -7.362 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.170 -7.091 -10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.916 -5.960 -10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.800 -6.399 -8.313 1.00 0.00 H new ATOM 35 N LEU A 3 -7.476 -4.930 -6.585 1.00 0.00 N ATOM 36 CA LEU A 3 -6.980 -4.132 -5.417 1.00 0.00 C ATOM 37 C LEU A 3 -5.823 -4.866 -4.660 1.00 0.00 C ATOM 38 O LEU A 3 -5.965 -6.029 -4.271 1.00 0.00 O ATOM 39 CB LEU A 3 -8.180 -3.802 -4.473 1.00 0.00 C ATOM 40 CG LEU A 3 -8.735 -2.360 -4.602 1.00 0.00 C ATOM 41 CD1 LEU A 3 -10.099 -2.240 -3.913 1.00 0.00 C ATOM 42 CD2 LEU A 3 -7.798 -1.316 -3.965 1.00 0.00 C ATOM 0 H LEU A 3 -7.532 -5.932 -6.403 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.554 -3.197 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.987 -4.506 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.867 -3.964 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.821 -2.163 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.470 -1.220 -4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.803 -2.931 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.995 -2.484 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.229 -0.322 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.674 -1.537 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.827 -1.350 -4.458 1.00 0.00 H new ATOM 54 N VAL A 4 -4.696 -4.174 -4.422 1.00 0.00 N ATOM 55 CA VAL A 4 -3.432 -4.809 -3.930 1.00 0.00 C ATOM 56 C VAL A 4 -2.763 -4.035 -2.728 1.00 0.00 C ATOM 57 O VAL A 4 -2.774 -2.802 -2.666 1.00 0.00 O ATOM 58 CB VAL A 4 -2.510 -5.070 -5.175 1.00 0.00 C ATOM 59 CG1 VAL A 4 -1.990 -3.807 -5.898 1.00 0.00 C ATOM 60 CG2 VAL A 4 -1.297 -5.965 -4.857 1.00 0.00 C ATOM 0 H VAL A 4 -4.621 -3.166 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.647 -5.772 -3.467 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.194 -5.583 -5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.365 -4.102 -6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.835 -3.221 -6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.403 -3.206 -5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.702 -6.106 -5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.686 -5.490 -4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.644 -6.933 -4.497 1.00 0.00 H new ATOM 70 N SER A 5 -2.163 -4.762 -1.765 1.00 0.00 N ATOM 71 CA SER A 5 -1.642 -4.174 -0.485 1.00 0.00 C ATOM 72 C SER A 5 -0.085 -3.951 -0.523 1.00 0.00 C ATOM 73 O SER A 5 0.665 -4.929 -0.593 1.00 0.00 O ATOM 74 CB SER A 5 -2.030 -5.090 0.718 1.00 0.00 C ATOM 75 OG SER A 5 -3.220 -5.874 0.566 1.00 0.00 O ATOM 0 H SER A 5 -2.020 -5.769 -1.838 1.00 0.00 H new ATOM 0 HA SER A 5 -2.104 -3.194 -0.361 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.198 -5.767 0.914 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.145 -4.462 1.602 1.00 0.00 H new ATOM 0 HG SER A 5 -3.133 -6.704 1.080 1.00 0.00 H new ATOM 81 N VAL A 6 0.421 -2.701 -0.483 1.00 0.00 N ATOM 82 CA VAL A 6 1.834 -2.364 -0.885 1.00 0.00 C ATOM 83 C VAL A 6 2.653 -1.751 0.322 1.00 0.00 C ATOM 84 O VAL A 6 2.632 -0.546 0.598 1.00 0.00 O ATOM 85 CB VAL A 6 1.925 -1.601 -2.278 1.00 0.00 C ATOM 86 CG1 VAL A 6 0.755 -1.819 -3.267 1.00 0.00 C ATOM 87 CG2 VAL A 6 2.165 -0.078 -2.270 1.00 0.00 C ATOM 0 H VAL A 6 -0.119 -1.892 -0.176 1.00 0.00 H new ATOM 0 HA VAL A 6 2.358 -3.294 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 6 2.831 -2.107 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.936 -1.246 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.680 -2.878 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.176 -1.487 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.202 0.290 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.353 0.416 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.111 0.139 -1.773 1.00 0.00 H new ATOM 97 N ALA A 7 3.423 -2.582 1.044 1.00 0.00 N ATOM 98 CA ALA A 7 4.140 -2.175 2.289 1.00 0.00 C ATOM 99 C ALA A 7 5.680 -2.488 2.264 1.00 0.00 C ATOM 100 O ALA A 7 6.101 -3.505 1.714 1.00 0.00 O ATOM 101 CB ALA A 7 3.396 -2.900 3.431 1.00 0.00 C ATOM 0 H ALA A 7 3.573 -3.558 0.790 1.00 0.00 H new ATOM 0 HA ALA A 7 4.120 -1.093 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.863 -2.653 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.353 -2.583 3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.446 -3.977 3.271 1.00 0.00 H new ATOM 107 N ALA A 8 6.528 -1.627 2.861 1.00 0.00 N ATOM 108 CA ALA A 8 7.964 -1.955 3.111 1.00 0.00 C ATOM 109 C ALA A 8 8.220 -2.322 4.616 1.00 0.00 C ATOM 110 O ALA A 8 7.966 -1.508 5.511 1.00 0.00 O ATOM 111 CB ALA A 8 8.822 -0.774 2.618 1.00 0.00 C ATOM 0 H ALA A 8 6.253 -0.699 3.182 1.00 0.00 H new ATOM 0 HA ALA A 8 8.250 -2.846 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.876 -0.993 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.653 -0.622 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.545 0.129 3.162 1.00 0.00 H new ATOM 117 N LEU A 9 8.727 -3.539 4.888 1.00 0.00 N ATOM 118 CA LEU A 9 9.078 -3.973 6.275 1.00 0.00 C ATOM 119 C LEU A 9 10.477 -3.460 6.771 1.00 0.00 C ATOM 120 O LEU A 9 11.401 -3.184 6.003 1.00 0.00 O ATOM 121 CB LEU A 9 9.031 -5.531 6.382 1.00 0.00 C ATOM 122 CG LEU A 9 7.658 -6.243 6.430 1.00 0.00 C ATOM 123 CD1 LEU A 9 7.881 -7.763 6.445 1.00 0.00 C ATOM 124 CD2 LEU A 9 6.823 -5.849 7.660 1.00 0.00 C ATOM 0 H LEU A 9 8.907 -4.246 4.175 1.00 0.00 H new ATOM 0 HA LEU A 9 8.330 -3.519 6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.581 -5.935 5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.579 -5.815 7.280 1.00 0.00 H new ATOM 0 HG LEU A 9 7.102 -5.933 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.918 -8.272 6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.417 -8.061 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.467 -8.036 7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.871 -6.380 7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.366 -6.113 8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.639 -4.775 7.646 1.00 0.00 H new ATOM 136 N ALA A 10 10.614 -3.415 8.101 1.00 0.00 N ATOM 137 CA ALA A 10 11.926 -3.296 8.790 1.00 0.00 C ATOM 138 C ALA A 10 12.269 -4.627 9.562 1.00 0.00 C ATOM 139 O ALA A 10 11.890 -5.714 9.110 1.00 0.00 O ATOM 140 CB ALA A 10 11.681 -2.036 9.646 1.00 0.00 C ATOM 0 H ALA A 10 9.822 -3.460 8.742 1.00 0.00 H new ATOM 0 HA ALA A 10 12.812 -3.180 8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 10 12.576 -1.811 10.226 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.449 -1.193 8.995 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.845 -2.213 10.322 1.00 0.00 H new ATOM 400 N PRO A 27 17.118 2.195 -3.640 1.00 0.00 N ATOM 401 CA PRO A 27 16.506 2.019 -5.004 1.00 0.00 C ATOM 402 C PRO A 27 16.148 0.598 -5.577 1.00 0.00 C ATOM 403 O PRO A 27 15.642 0.499 -6.699 1.00 0.00 O ATOM 404 CB PRO A 27 17.562 2.714 -5.889 1.00 0.00 C ATOM 405 CG PRO A 27 18.184 3.771 -4.978 1.00 0.00 C ATOM 406 CD PRO A 27 18.344 3.022 -3.662 1.00 0.00 C ATOM 0 HA PRO A 27 15.491 2.414 -4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 27 18.310 2.006 -6.245 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.107 3.167 -6.770 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.141 4.125 -5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.540 4.644 -4.872 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.249 2.414 -3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 27 18.397 3.699 -2.809 1.00 0.00 H new ATOM 414 N ALA A 28 16.400 -0.486 -4.829 1.00 0.00 N ATOM 415 CA ALA A 28 15.885 -1.848 -5.134 1.00 0.00 C ATOM 416 C ALA A 28 14.403 -2.094 -4.678 1.00 0.00 C ATOM 417 O ALA A 28 13.562 -2.480 -5.490 1.00 0.00 O ATOM 418 CB ALA A 28 16.885 -2.829 -4.496 1.00 0.00 C ATOM 0 H ALA A 28 16.972 -0.452 -3.985 1.00 0.00 H new ATOM 0 HA ALA A 28 15.824 -1.992 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.562 -3.853 -4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.873 -2.675 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.929 -2.656 -3.421 1.00 0.00 H new ATOM 424 N ASP A 29 14.074 -1.812 -3.411 1.00 0.00 N ATOM 425 CA ASP A 29 12.671 -1.582 -2.938 1.00 0.00 C ATOM 426 C ASP A 29 11.898 -0.488 -3.764 1.00 0.00 C ATOM 427 O ASP A 29 10.910 -0.798 -4.439 1.00 0.00 O ATOM 428 CB ASP A 29 12.805 -1.335 -1.403 1.00 0.00 C ATOM 429 CG ASP A 29 11.670 -0.632 -0.650 1.00 0.00 C ATOM 430 OD1 ASP A 29 10.481 -0.949 -0.859 1.00 0.00 O ATOM 431 OD2 ASP A 29 11.956 0.322 0.104 1.00 0.00 O ATOM 0 H ASP A 29 14.767 -1.733 -2.667 1.00 0.00 H new ATOM 0 HA ASP A 29 12.021 -2.439 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.961 -2.304 -0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.713 -0.753 -1.244 1.00 0.00 H new ATOM 436 N LYS A 30 12.390 0.767 -3.802 1.00 0.00 N ATOM 437 CA LYS A 30 11.736 1.873 -4.567 1.00 0.00 C ATOM 438 C LYS A 30 11.975 1.899 -6.139 1.00 0.00 C ATOM 439 O LYS A 30 11.727 2.923 -6.787 1.00 0.00 O ATOM 440 CB LYS A 30 12.027 3.213 -3.815 1.00 0.00 C ATOM 441 CG LYS A 30 11.613 3.317 -2.312 1.00 0.00 C ATOM 442 CD LYS A 30 10.136 3.668 -1.992 1.00 0.00 C ATOM 443 CE LYS A 30 9.323 2.649 -1.153 1.00 0.00 C ATOM 444 NZ LYS A 30 9.935 2.138 0.109 1.00 0.00 N ATOM 0 H LYS A 30 13.240 1.050 -3.314 1.00 0.00 H new ATOM 0 HA LYS A 30 10.662 1.688 -4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.098 3.407 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.525 4.015 -4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.842 2.364 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.246 4.069 -1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.124 4.623 -1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.614 3.818 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.369 3.111 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.103 1.792 -1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.306 1.430 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.855 1.701 -0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.072 2.927 0.773 1.00 0.00 H new ATOM 458 N LYS A 31 12.346 0.759 -6.771 1.00 0.00 N ATOM 459 CA LYS A 31 12.017 0.442 -8.201 1.00 0.00 C ATOM 460 C LYS A 31 10.759 -0.486 -8.386 1.00 0.00 C ATOM 461 O LYS A 31 10.032 -0.287 -9.353 1.00 0.00 O ATOM 462 CB LYS A 31 13.253 -0.118 -8.982 1.00 0.00 C ATOM 463 CG LYS A 31 13.653 -1.584 -8.671 1.00 0.00 C ATOM 464 CD LYS A 31 15.057 -2.055 -9.087 1.00 0.00 C ATOM 465 CE LYS A 31 15.178 -2.301 -10.598 1.00 0.00 C ATOM 466 NZ LYS A 31 16.510 -2.921 -10.850 1.00 0.00 N ATOM 0 H LYS A 31 12.884 0.025 -6.310 1.00 0.00 H new ATOM 0 HA LYS A 31 11.744 1.402 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.049 -0.038 -10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.110 0.523 -8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.555 -1.736 -7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.926 -2.238 -9.153 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.790 -1.307 -8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.300 -2.974 -8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.379 -2.957 -10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.082 -1.364 -11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.622 -3.100 -11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 17.260 -2.276 -10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 16.579 -3.819 -10.331 1.00 0.00 H new ATOM 480 N GLN A 32 10.515 -1.515 -7.540 1.00 0.00 N ATOM 481 CA GLN A 32 9.267 -2.345 -7.595 1.00 0.00 C ATOM 482 C GLN A 32 8.029 -1.645 -6.952 1.00 0.00 C ATOM 483 O GLN A 32 6.987 -1.515 -7.598 1.00 0.00 O ATOM 484 CB GLN A 32 9.567 -3.745 -6.988 1.00 0.00 C ATOM 485 CG GLN A 32 8.537 -4.863 -7.329 1.00 0.00 C ATOM 486 CD GLN A 32 7.178 -4.827 -6.601 1.00 0.00 C ATOM 487 OE1 GLN A 32 7.034 -4.316 -5.496 1.00 0.00 O ATOM 488 NE2 GLN A 32 6.144 -5.391 -7.167 1.00 0.00 N ATOM 0 H GLN A 32 11.163 -1.798 -6.805 1.00 0.00 H new ATOM 0 HA GLN A 32 8.979 -2.471 -8.639 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.551 -4.066 -7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.623 -3.646 -5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.345 -4.827 -8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.004 -5.825 -7.121 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.238 -5.823 -8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.243 -5.399 -6.690 1.00 0.00 H new ATOM 497 N TYR A 33 8.165 -1.105 -5.727 1.00 0.00 N ATOM 498 CA TYR A 33 7.222 -0.095 -5.163 1.00 0.00 C ATOM 499 C TYR A 33 6.882 1.159 -6.065 1.00 0.00 C ATOM 500 O TYR A 33 5.823 1.752 -5.887 1.00 0.00 O ATOM 501 CB TYR A 33 7.835 0.325 -3.797 1.00 0.00 C ATOM 502 CG TYR A 33 6.846 0.693 -2.674 1.00 0.00 C ATOM 503 CD1 TYR A 33 6.228 1.951 -2.608 1.00 0.00 C ATOM 504 CD2 TYR A 33 6.687 -0.203 -1.612 1.00 0.00 C ATOM 505 CE1 TYR A 33 5.468 2.298 -1.488 1.00 0.00 C ATOM 506 CE2 TYR A 33 5.915 0.142 -0.509 1.00 0.00 C ATOM 507 CZ TYR A 33 5.300 1.383 -0.450 1.00 0.00 C ATOM 508 OH TYR A 33 4.473 1.655 0.603 1.00 0.00 O ATOM 0 H TYR A 33 8.926 -1.349 -5.094 1.00 0.00 H new ATOM 0 HA TYR A 33 6.241 -0.562 -5.079 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.464 -0.491 -3.442 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.489 1.180 -3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.340 2.651 -3.423 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.167 -1.170 -1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.011 3.275 -1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.794 -0.558 0.304 1.00 0.00 H new ATOM 0 HH TYR A 33 3.799 0.948 0.681 1.00 0.00 H new ATOM 518 N ARG A 34 7.751 1.545 -7.027 1.00 0.00 N ATOM 519 CA ARG A 34 7.394 2.494 -8.131 1.00 0.00 C ATOM 520 C ARG A 34 7.336 1.882 -9.596 1.00 0.00 C ATOM 521 O ARG A 34 7.461 2.598 -10.590 1.00 0.00 O ATOM 522 CB ARG A 34 8.377 3.694 -8.024 1.00 0.00 C ATOM 523 CG ARG A 34 7.782 5.050 -8.492 1.00 0.00 C ATOM 524 CD ARG A 34 8.811 6.091 -8.985 1.00 0.00 C ATOM 525 NE ARG A 34 9.843 6.418 -7.954 1.00 0.00 N ATOM 526 CZ ARG A 34 9.778 7.402 -7.066 1.00 0.00 C ATOM 527 NH1 ARG A 34 8.884 8.349 -7.094 1.00 0.00 N ATOM 528 NH2 ARG A 34 10.656 7.412 -6.117 1.00 0.00 N ATOM 0 H ARG A 34 8.715 1.216 -7.069 1.00 0.00 H new ATOM 0 HA ARG A 34 6.358 2.800 -7.986 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.702 3.791 -6.988 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.265 3.476 -8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.072 4.857 -9.296 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.218 5.484 -7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.305 5.712 -9.879 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.289 7.004 -9.272 1.00 0.00 H new ATOM 0 HE ARG A 34 10.676 5.829 -7.931 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.178 8.362 -7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.890 9.077 -6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.365 6.680 -6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.640 8.152 -5.415 1.00 0.00 H new ATOM 542 N SER A 35 7.140 0.563 -9.741 1.00 0.00 N ATOM 543 CA SER A 35 6.729 -0.112 -11.011 1.00 0.00 C ATOM 544 C SER A 35 5.443 -1.006 -10.878 1.00 0.00 C ATOM 545 O SER A 35 4.817 -1.287 -11.901 1.00 0.00 O ATOM 546 CB SER A 35 7.929 -0.904 -11.584 1.00 0.00 C ATOM 547 OG SER A 35 7.603 -1.542 -12.822 1.00 0.00 O ATOM 0 H SER A 35 7.262 -0.092 -8.968 1.00 0.00 H new ATOM 0 HA SER A 35 6.440 0.671 -11.712 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.772 -0.229 -11.734 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.247 -1.655 -10.861 1.00 0.00 H new ATOM 0 HG SER A 35 6.633 -1.519 -12.956 1.00 0.00 H new ATOM 553 N ARG A 36 4.988 -1.411 -9.670 1.00 0.00 N ATOM 554 CA ARG A 36 3.535 -1.371 -9.335 1.00 0.00 C ATOM 555 C ARG A 36 2.953 0.089 -9.351 1.00 0.00 C ATOM 556 O ARG A 36 2.109 0.368 -10.201 1.00 0.00 O ATOM 557 CB ARG A 36 3.267 -2.134 -7.996 1.00 0.00 C ATOM 558 CG ARG A 36 2.745 -3.591 -8.121 1.00 0.00 C ATOM 559 CD ARG A 36 1.220 -3.743 -8.358 1.00 0.00 C ATOM 560 NE ARG A 36 0.777 -3.300 -9.716 1.00 0.00 N ATOM 561 CZ ARG A 36 0.646 -4.065 -10.796 1.00 0.00 C ATOM 562 NH1 ARG A 36 0.855 -5.352 -10.801 1.00 0.00 N ATOM 563 NH2 ARG A 36 0.290 -3.495 -11.908 1.00 0.00 N ATOM 0 H ARG A 36 5.586 -1.763 -8.922 1.00 0.00 H new ATOM 0 HA ARG A 36 2.989 -1.894 -10.120 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.194 -2.152 -7.422 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.544 -1.561 -7.416 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.272 -4.076 -8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.008 -4.131 -7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.941 -4.787 -8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.685 -3.166 -7.604 1.00 0.00 H new ATOM 0 HE ARG A 36 0.553 -2.311 -9.825 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.136 -5.826 -9.943 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.738 -5.884 -11.663 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.120 -2.490 -11.934 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.180 -4.053 -12.755 1.00 0.00 H new ATOM 577 N VAL A 37 3.417 1.003 -8.467 1.00 0.00 N ATOM 578 CA VAL A 37 2.929 2.424 -8.416 1.00 0.00 C ATOM 579 C VAL A 37 3.664 3.318 -9.492 1.00 0.00 C ATOM 580 O VAL A 37 4.656 3.990 -9.192 1.00 0.00 O ATOM 581 CB VAL A 37 3.036 3.026 -6.960 1.00 0.00 C ATOM 582 CG1 VAL A 37 2.239 4.342 -6.827 1.00 0.00 C ATOM 583 CG2 VAL A 37 2.595 2.132 -5.770 1.00 0.00 C ATOM 0 H VAL A 37 4.132 0.792 -7.771 1.00 0.00 H new ATOM 0 HA VAL A 37 1.869 2.422 -8.672 1.00 0.00 H new ATOM 0 HB VAL A 37 4.115 3.156 -6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.337 4.726 -5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.629 5.077 -7.531 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.187 4.154 -7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.725 2.679 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.546 1.860 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.204 1.228 -5.749 1.00 0.00 H new ATOM 593 N ALA A 38 3.203 3.284 -10.755 1.00 0.00 N ATOM 594 CA ALA A 38 3.826 4.046 -11.876 1.00 0.00 C ATOM 595 C ALA A 38 2.968 5.279 -12.334 1.00 0.00 C ATOM 596 O ALA A 38 3.152 6.371 -11.797 1.00 0.00 O ATOM 597 CB ALA A 38 4.190 3.017 -12.971 1.00 0.00 C ATOM 0 H ALA A 38 2.392 2.733 -11.037 1.00 0.00 H new ATOM 0 HA ALA A 38 4.746 4.540 -11.562 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.651 3.531 -13.815 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.890 2.286 -12.565 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.287 2.507 -13.306 1.00 0.00 H new ATOM 603 N ASP A 39 2.052 5.111 -13.305 1.00 0.00 N ATOM 604 CA ASP A 39 1.158 6.204 -13.801 1.00 0.00 C ATOM 605 C ASP A 39 -0.376 5.862 -13.632 1.00 0.00 C ATOM 606 O ASP A 39 -1.192 6.166 -14.501 1.00 0.00 O ATOM 607 CB ASP A 39 1.640 6.515 -15.256 1.00 0.00 C ATOM 608 CG ASP A 39 1.312 7.894 -15.831 1.00 0.00 C ATOM 609 OD1 ASP A 39 1.101 8.856 -15.063 1.00 0.00 O ATOM 610 OD2 ASP A 39 1.329 8.031 -17.074 1.00 0.00 O ATOM 0 H ASP A 39 1.901 4.219 -13.776 1.00 0.00 H new ATOM 0 HA ASP A 39 1.237 7.112 -13.203 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.722 6.387 -15.286 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.212 5.764 -15.920 1.00 0.00 H new ATOM 615 N ASP A 40 -0.799 5.283 -12.483 1.00 0.00 N ATOM 616 CA ASP A 40 -2.211 4.827 -12.241 1.00 0.00 C ATOM 617 C ASP A 40 -2.687 5.096 -10.737 1.00 0.00 C ATOM 618 O ASP A 40 -1.874 5.534 -9.907 1.00 0.00 O ATOM 619 CB ASP A 40 -2.319 3.332 -12.707 1.00 0.00 C ATOM 620 CG ASP A 40 -3.468 2.904 -13.622 1.00 0.00 C ATOM 621 OD1 ASP A 40 -4.250 3.736 -14.115 1.00 0.00 O ATOM 622 OD2 ASP A 40 -3.624 1.675 -13.799 1.00 0.00 O ATOM 0 H ASP A 40 -0.180 5.114 -11.691 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.913 5.416 -12.831 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.388 3.081 -13.215 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.369 2.714 -11.810 1.00 0.00 H new ATOM 627 N PRO A 41 -3.978 4.893 -10.313 1.00 0.00 N ATOM 628 CA PRO A 41 -4.476 5.311 -8.968 1.00 0.00 C ATOM 629 C PRO A 41 -3.839 4.692 -7.675 1.00 0.00 C ATOM 630 O PRO A 41 -3.776 3.474 -7.482 1.00 0.00 O ATOM 631 CB PRO A 41 -5.981 4.996 -9.055 1.00 0.00 C ATOM 632 CG PRO A 41 -6.331 5.035 -10.542 1.00 0.00 C ATOM 633 CD PRO A 41 -5.072 4.524 -11.225 1.00 0.00 C ATOM 0 HA PRO A 41 -4.194 6.352 -8.811 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.201 4.018 -8.627 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.566 5.727 -8.497 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.192 4.405 -10.767 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.581 6.045 -10.868 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.114 3.446 -11.378 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.941 4.980 -12.206 1.00 0.00 H new ATOM 641 N VAL A 42 -3.451 5.567 -6.740 1.00 0.00 N ATOM 642 CA VAL A 42 -2.667 5.202 -5.520 1.00 0.00 C ATOM 643 C VAL A 42 -3.505 5.468 -4.225 1.00 0.00 C ATOM 644 O VAL A 42 -3.720 6.617 -3.823 1.00 0.00 O ATOM 645 CB VAL A 42 -1.249 5.889 -5.566 1.00 0.00 C ATOM 646 CG1 VAL A 42 -1.247 7.436 -5.680 1.00 0.00 C ATOM 647 CG2 VAL A 42 -0.362 5.500 -4.362 1.00 0.00 C ATOM 0 H VAL A 42 -3.667 6.562 -6.795 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.465 4.131 -5.498 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.838 5.497 -6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.219 7.798 -5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.757 7.734 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.763 7.865 -4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.603 6.001 -4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.851 5.804 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.211 4.421 -4.355 1.00 0.00 H new ATOM 657 N VAL A 43 -3.954 4.408 -3.533 1.00 0.00 N ATOM 658 CA VAL A 43 -4.662 4.527 -2.221 1.00 0.00 C ATOM 659 C VAL A 43 -3.650 4.734 -1.035 1.00 0.00 C ATOM 660 O VAL A 43 -2.775 3.906 -0.785 1.00 0.00 O ATOM 661 CB VAL A 43 -5.663 3.328 -2.009 1.00 0.00 C ATOM 662 CG1 VAL A 43 -6.487 3.488 -0.702 1.00 0.00 C ATOM 663 CG2 VAL A 43 -6.677 3.109 -3.158 1.00 0.00 C ATOM 0 H VAL A 43 -3.844 3.446 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.275 5.428 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.003 2.462 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.165 2.641 -0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.811 3.524 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.064 4.411 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.321 2.263 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.286 4.005 -3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.139 2.905 -4.084 1.00 0.00 H new ATOM 673 N LEU A 44 -3.781 5.826 -0.275 1.00 0.00 N ATOM 674 CA LEU A 44 -2.959 6.087 0.943 1.00 0.00 C ATOM 675 C LEU A 44 -3.776 6.850 2.045 1.00 0.00 C ATOM 676 O LEU A 44 -4.985 7.055 1.905 1.00 0.00 O ATOM 677 CB LEU A 44 -1.600 6.699 0.487 1.00 0.00 C ATOM 678 CG LEU A 44 -1.564 8.000 -0.358 1.00 0.00 C ATOM 679 CD1 LEU A 44 -1.982 9.245 0.440 1.00 0.00 C ATOM 680 CD2 LEU A 44 -0.150 8.190 -0.927 1.00 0.00 C ATOM 0 H LEU A 44 -4.457 6.563 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.699 5.170 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.013 6.884 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.077 5.931 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.290 7.889 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.937 10.123 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.000 9.117 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.306 9.380 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.117 9.103 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.565 8.265 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.107 7.337 -1.556 1.00 0.00 H new ATOM 692 N GLY A 45 -3.161 7.253 3.170 1.00 0.00 N ATOM 693 CA GLY A 45 -3.845 8.076 4.212 1.00 0.00 C ATOM 694 C GLY A 45 -3.339 9.513 4.366 1.00 0.00 C ATOM 695 O GLY A 45 -2.191 9.847 4.065 1.00 0.00 O ATOM 0 H GLY A 45 -2.191 7.028 3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.910 8.109 3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.743 7.570 5.172 1.00 0.00 H new ATOM 699 N ARG A 46 -4.207 10.369 4.922 1.00 0.00 N ATOM 700 CA ARG A 46 -3.899 11.822 5.131 1.00 0.00 C ATOM 701 C ARG A 46 -2.613 12.252 5.920 1.00 0.00 C ATOM 702 O ARG A 46 -2.148 13.384 5.783 1.00 0.00 O ATOM 703 CB ARG A 46 -5.190 12.521 5.640 1.00 0.00 C ATOM 704 CG ARG A 46 -5.794 12.136 7.022 1.00 0.00 C ATOM 705 CD ARG A 46 -5.072 12.697 8.270 1.00 0.00 C ATOM 706 NE ARG A 46 -5.676 12.161 9.526 1.00 0.00 N ATOM 707 CZ ARG A 46 -5.300 11.044 10.152 1.00 0.00 C ATOM 708 NH1 ARG A 46 -4.447 10.182 9.668 1.00 0.00 N ATOM 709 NH2 ARG A 46 -5.812 10.800 11.315 1.00 0.00 N ATOM 0 H ARG A 46 -5.136 10.095 5.242 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.590 12.171 4.146 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.991 13.592 5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.964 12.355 4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.830 12.472 7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.810 11.049 7.097 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.015 12.435 8.231 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.131 13.785 8.270 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.441 12.694 9.941 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.022 10.343 8.755 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.206 9.348 10.203 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.481 11.452 11.725 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.547 9.955 11.822 1.00 0.00 H new ATOM 723 N THR A 47 -2.042 11.357 6.730 1.00 0.00 N ATOM 724 CA THR A 47 -0.688 11.537 7.333 1.00 0.00 C ATOM 725 C THR A 47 0.503 11.331 6.356 1.00 0.00 C ATOM 726 O THR A 47 1.367 12.211 6.290 1.00 0.00 O ATOM 727 CB THR A 47 -0.565 10.666 8.616 1.00 0.00 C ATOM 728 OG1 THR A 47 -1.303 9.446 8.505 1.00 0.00 O ATOM 729 CG2 THR A 47 -1.104 11.393 9.844 1.00 0.00 C ATOM 0 H THR A 47 -2.493 10.482 6.996 1.00 0.00 H new ATOM 0 HA THR A 47 -0.608 12.590 7.602 1.00 0.00 H new ATOM 0 HB THR A 47 0.500 10.460 8.725 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.200 8.925 9.329 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.001 10.753 10.720 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.541 12.313 9.999 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.156 11.633 9.692 1.00 0.00 H new ATOM 737 N THR A 48 0.553 10.248 5.560 1.00 0.00 N ATOM 738 CA THR A 48 1.540 10.146 4.433 1.00 0.00 C ATOM 739 C THR A 48 1.408 11.139 3.221 1.00 0.00 C ATOM 740 O THR A 48 2.404 11.441 2.559 1.00 0.00 O ATOM 741 CB THR A 48 1.847 8.660 4.079 1.00 0.00 C ATOM 742 OG1 THR A 48 2.974 8.569 3.213 1.00 0.00 O ATOM 743 CG2 THR A 48 0.715 7.894 3.401 1.00 0.00 C ATOM 0 H THR A 48 -0.059 9.438 5.660 1.00 0.00 H new ATOM 0 HA THR A 48 2.453 10.573 4.848 1.00 0.00 H new ATOM 0 HB THR A 48 2.021 8.202 5.053 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.151 7.628 3.004 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.037 6.872 3.200 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.157 7.878 4.055 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.455 8.384 2.463 1.00 0.00 H new ATOM 751 N PHE A 49 0.222 11.733 3.006 1.00 0.00 N ATOM 752 CA PHE A 49 0.020 12.930 2.140 1.00 0.00 C ATOM 753 C PHE A 49 0.883 14.223 2.413 1.00 0.00 C ATOM 754 O PHE A 49 1.187 14.933 1.452 1.00 0.00 O ATOM 755 CB PHE A 49 -1.507 13.216 2.222 1.00 0.00 C ATOM 756 CG PHE A 49 -2.046 14.249 1.221 1.00 0.00 C ATOM 757 CD1 PHE A 49 -2.004 15.608 1.540 1.00 0.00 C ATOM 758 CD2 PHE A 49 -2.537 13.850 -0.028 1.00 0.00 C ATOM 759 CE1 PHE A 49 -2.411 16.561 0.608 1.00 0.00 C ATOM 760 CE2 PHE A 49 -2.968 14.802 -0.946 1.00 0.00 C ATOM 761 CZ PHE A 49 -2.891 16.158 -0.631 1.00 0.00 C ATOM 0 H PHE A 49 -0.643 11.398 3.431 1.00 0.00 H new ATOM 0 HA PHE A 49 0.389 12.683 1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.042 12.278 2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.740 13.558 3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.655 15.922 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.581 12.801 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.353 17.612 0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.362 14.491 -1.902 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.206 16.897 -1.353 1.00 0.00 H new ATOM 771 N GLU A 50 1.270 14.574 3.654 1.00 0.00 N ATOM 772 CA GLU A 50 2.200 15.737 3.894 1.00 0.00 C ATOM 773 C GLU A 50 3.685 15.582 3.375 1.00 0.00 C ATOM 774 O GLU A 50 4.334 16.600 3.104 1.00 0.00 O ATOM 775 CB GLU A 50 2.088 16.226 5.364 1.00 0.00 C ATOM 776 CG GLU A 50 0.729 16.919 5.703 1.00 0.00 C ATOM 777 CD GLU A 50 0.662 17.736 6.982 1.00 0.00 C ATOM 778 OE1 GLU A 50 1.339 18.784 7.061 1.00 0.00 O ATOM 779 OE2 GLU A 50 -0.126 17.377 7.883 1.00 0.00 O ATOM 0 H GLU A 50 0.971 14.092 4.502 1.00 0.00 H new ATOM 0 HA GLU A 50 1.841 16.530 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.226 15.375 6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.900 16.924 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.467 17.573 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.039 16.147 5.755 1.00 0.00 H new ATOM 786 N SER A 51 4.186 14.348 3.155 1.00 0.00 N ATOM 787 CA SER A 51 5.312 14.082 2.203 1.00 0.00 C ATOM 788 C SER A 51 4.862 14.083 0.693 1.00 0.00 C ATOM 789 O SER A 51 5.387 14.870 -0.096 1.00 0.00 O ATOM 790 CB SER A 51 6.024 12.785 2.664 1.00 0.00 C ATOM 791 OG SER A 51 7.186 12.514 1.871 1.00 0.00 O ATOM 0 H SER A 51 3.835 13.511 3.620 1.00 0.00 H new ATOM 0 HA SER A 51 6.030 14.901 2.235 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.311 12.879 3.711 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.332 11.945 2.597 1.00 0.00 H new ATOM 0 HG SER A 51 7.613 11.691 2.188 1.00 0.00 H new ATOM 797 N MET A 52 3.859 13.267 0.298 1.00 0.00 N ATOM 798 CA MET A 52 3.342 13.193 -1.113 1.00 0.00 C ATOM 799 C MET A 52 2.538 14.415 -1.728 1.00 0.00 C ATOM 800 O MET A 52 1.905 14.268 -2.780 1.00 0.00 O ATOM 801 CB MET A 52 2.454 11.911 -1.225 1.00 0.00 C ATOM 802 CG MET A 52 3.014 10.546 -0.778 1.00 0.00 C ATOM 803 SD MET A 52 4.666 10.250 -1.429 1.00 0.00 S ATOM 804 CE MET A 52 5.068 8.841 -0.381 1.00 0.00 C ATOM 0 H MET A 52 3.377 12.636 0.938 1.00 0.00 H new ATOM 0 HA MET A 52 4.254 13.194 -1.710 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.546 12.094 -0.650 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.155 11.813 -2.269 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.040 10.504 0.311 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.345 9.753 -1.112 1.00 0.00 H new ATOM 0 HE1 MET A 52 6.071 8.486 -0.618 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.028 9.143 0.666 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.349 8.041 -0.556 1.00 0.00 H new ATOM 814 N ARG A 53 2.537 15.613 -1.111 1.00 0.00 N ATOM 815 CA ARG A 53 1.930 16.849 -1.705 1.00 0.00 C ATOM 816 C ARG A 53 2.799 17.644 -2.747 1.00 0.00 C ATOM 817 O ARG A 53 2.215 18.338 -3.581 1.00 0.00 O ATOM 818 CB ARG A 53 1.336 17.746 -0.573 1.00 0.00 C ATOM 819 CG ARG A 53 2.322 18.406 0.430 1.00 0.00 C ATOM 820 CD ARG A 53 2.865 19.798 0.013 1.00 0.00 C ATOM 821 NE ARG A 53 4.248 20.010 0.517 1.00 0.00 N ATOM 822 CZ ARG A 53 4.636 20.088 1.775 1.00 0.00 C ATOM 823 NH1 ARG A 53 3.831 20.355 2.769 1.00 0.00 N ATOM 824 NH2 ARG A 53 5.888 19.878 2.007 1.00 0.00 N ATOM 0 H ARG A 53 2.951 15.764 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 53 1.124 16.492 -2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.759 18.541 -1.046 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.634 17.140 -0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.822 18.504 1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.168 17.734 0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.854 19.885 -1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.210 20.578 0.402 1.00 0.00 H new ATOM 0 HE ARG A 53 4.978 20.106 -0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.840 20.517 2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.194 20.401 3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.521 19.665 1.236 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.245 19.925 2.961 1.00 0.00 H new ATOM 838 N ASP A 54 4.141 17.582 -2.695 1.00 0.00 N ATOM 839 CA ASP A 54 5.052 18.242 -3.683 1.00 0.00 C ATOM 840 C ASP A 54 5.228 17.482 -5.065 1.00 0.00 C ATOM 841 O ASP A 54 5.269 18.129 -6.114 1.00 0.00 O ATOM 842 CB ASP A 54 6.402 18.510 -2.947 1.00 0.00 C ATOM 843 CG ASP A 54 6.384 19.507 -1.776 1.00 0.00 C ATOM 844 OD1 ASP A 54 6.034 20.688 -1.978 1.00 0.00 O ATOM 845 OD2 ASP A 54 6.678 19.121 -0.621 1.00 0.00 O ATOM 0 H ASP A 54 4.640 17.072 -1.966 1.00 0.00 H new ATOM 0 HA ASP A 54 4.593 19.176 -4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.776 17.557 -2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.122 18.868 -3.683 1.00 0.00 H new ATOM 850 N ASP A 55 5.319 16.134 -5.065 1.00 0.00 N ATOM 851 CA ASP A 55 5.214 15.267 -6.285 1.00 0.00 C ATOM 852 C ASP A 55 4.223 14.075 -5.985 1.00 0.00 C ATOM 853 O ASP A 55 4.232 13.493 -4.890 1.00 0.00 O ATOM 854 CB ASP A 55 6.649 14.824 -6.700 1.00 0.00 C ATOM 855 CG ASP A 55 6.778 13.958 -7.957 1.00 0.00 C ATOM 856 OD1 ASP A 55 5.989 14.139 -8.910 1.00 0.00 O ATOM 857 OD2 ASP A 55 7.691 13.098 -7.997 1.00 0.00 O ATOM 0 H ASP A 55 5.470 15.598 -4.210 1.00 0.00 H new ATOM 0 HA ASP A 55 4.794 15.801 -7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.251 15.721 -6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.088 14.276 -5.866 1.00 0.00 H new ATOM 862 N LEU A 56 3.345 13.713 -6.945 1.00 0.00 N ATOM 863 CA LEU A 56 2.334 12.625 -6.739 1.00 0.00 C ATOM 864 C LEU A 56 2.883 11.210 -7.183 1.00 0.00 C ATOM 865 O LEU A 56 3.277 11.088 -8.347 1.00 0.00 O ATOM 866 CB LEU A 56 0.968 12.923 -7.444 1.00 0.00 C ATOM 867 CG LEU A 56 0.085 14.146 -7.042 1.00 0.00 C ATOM 868 CD1 LEU A 56 0.088 14.473 -5.538 1.00 0.00 C ATOM 869 CD2 LEU A 56 0.428 15.406 -7.855 1.00 0.00 C ATOM 0 H LEU A 56 3.306 14.147 -7.867 1.00 0.00 H new ATOM 0 HA LEU A 56 2.150 12.599 -5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.178 13.022 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.350 12.034 -7.322 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.928 13.828 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.552 15.336 -5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.287 13.616 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.105 14.699 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.213 16.229 -7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.471 15.674 -7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.269 15.209 -8.915 1.00 0.00 H new ATOM 881 N PRO A 57 2.870 10.100 -6.373 1.00 0.00 N ATOM 882 CA PRO A 57 3.329 8.751 -6.842 1.00 0.00 C ATOM 883 C PRO A 57 2.772 8.106 -8.160 1.00 0.00 C ATOM 884 O PRO A 57 3.499 7.364 -8.818 1.00 0.00 O ATOM 885 CB PRO A 57 3.051 7.871 -5.608 1.00 0.00 C ATOM 886 CG PRO A 57 3.080 8.810 -4.401 1.00 0.00 C ATOM 887 CD PRO A 57 2.548 10.142 -4.933 1.00 0.00 C ATOM 0 HA PRO A 57 4.361 8.853 -7.178 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.084 7.375 -5.693 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.803 7.088 -5.511 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.459 8.431 -3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.090 8.916 -4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.475 10.240 -4.766 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.026 10.989 -4.441 1.00 0.00 H new ATOM 895 N GLY A 58 1.505 8.370 -8.502 1.00 0.00 N ATOM 896 CA GLY A 58 0.943 8.067 -9.845 1.00 0.00 C ATOM 897 C GLY A 58 -0.282 8.944 -10.201 1.00 0.00 C ATOM 898 O GLY A 58 -0.573 9.965 -9.559 1.00 0.00 O ATOM 0 H GLY A 58 0.834 8.799 -7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.718 8.212 -10.598 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.654 7.017 -9.883 1.00 0.00 H new ATOM 902 N SER A 59 -1.003 8.562 -11.262 1.00 0.00 N ATOM 903 CA SER A 59 -2.003 9.467 -11.910 1.00 0.00 C ATOM 904 C SER A 59 -3.378 9.732 -11.193 1.00 0.00 C ATOM 905 O SER A 59 -4.099 10.627 -11.637 1.00 0.00 O ATOM 906 CB SER A 59 -2.153 9.078 -13.399 1.00 0.00 C ATOM 907 OG SER A 59 -2.915 7.887 -13.574 1.00 0.00 O ATOM 0 H SER A 59 -0.925 7.643 -11.699 1.00 0.00 H new ATOM 0 HA SER A 59 -1.566 10.460 -11.803 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.631 9.895 -13.939 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.165 8.942 -13.838 1.00 0.00 H new ATOM 0 HG SER A 59 -2.470 7.307 -14.226 1.00 0.00 H new ATOM 913 N ALA A 60 -3.749 9.068 -10.075 1.00 0.00 N ATOM 914 CA ALA A 60 -4.832 9.564 -9.176 1.00 0.00 C ATOM 915 C ALA A 60 -4.494 9.391 -7.657 1.00 0.00 C ATOM 916 O ALA A 60 -4.515 8.281 -7.122 1.00 0.00 O ATOM 917 CB ALA A 60 -6.175 8.927 -9.574 1.00 0.00 C ATOM 0 H ALA A 60 -3.322 8.193 -9.770 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.919 10.642 -9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.961 9.293 -8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.413 9.193 -10.604 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.104 7.843 -9.487 1.00 0.00 H new ATOM 923 N GLN A 61 -4.238 10.507 -6.953 1.00 0.00 N ATOM 924 CA GLN A 61 -3.971 10.521 -5.485 1.00 0.00 C ATOM 925 C GLN A 61 -5.259 10.237 -4.630 1.00 0.00 C ATOM 926 O GLN A 61 -6.070 11.135 -4.356 1.00 0.00 O ATOM 927 CB GLN A 61 -3.275 11.891 -5.218 1.00 0.00 C ATOM 928 CG GLN A 61 -2.911 12.264 -3.755 1.00 0.00 C ATOM 929 CD GLN A 61 -2.010 11.275 -3.018 1.00 0.00 C ATOM 930 OE1 GLN A 61 -2.443 10.196 -2.636 1.00 0.00 O ATOM 931 NE2 GLN A 61 -0.771 11.588 -2.755 1.00 0.00 N ATOM 0 H GLN A 61 -4.208 11.434 -7.378 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.319 9.708 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.357 11.916 -5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.925 12.675 -5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.421 13.238 -3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.835 12.375 -3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.394 12.483 -3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.179 10.937 -2.238 1.00 0.00 H new ATOM 940 N ILE A 62 -5.449 8.971 -4.237 1.00 0.00 N ATOM 941 CA ILE A 62 -6.581 8.518 -3.380 1.00 0.00 C ATOM 942 C ILE A 62 -6.111 8.605 -1.878 1.00 0.00 C ATOM 943 O ILE A 62 -5.069 8.061 -1.504 1.00 0.00 O ATOM 944 CB ILE A 62 -7.146 7.121 -3.843 1.00 0.00 C ATOM 945 CG1 ILE A 62 -7.713 7.120 -5.298 1.00 0.00 C ATOM 946 CG2 ILE A 62 -8.256 6.615 -2.882 1.00 0.00 C ATOM 947 CD1 ILE A 62 -8.040 5.732 -5.899 1.00 0.00 C ATOM 0 H ILE A 62 -4.819 8.214 -4.502 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.448 9.171 -3.484 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.286 6.452 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.621 7.723 -5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.991 7.614 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.625 5.650 -3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.846 6.508 -1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.077 7.332 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.426 5.855 -6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.135 5.125 -5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.790 5.236 -5.283 1.00 0.00 H new ATOM 959 N VAL A 63 -6.865 9.305 -1.011 1.00 0.00 N ATOM 960 CA VAL A 63 -6.365 9.730 0.343 1.00 0.00 C ATOM 961 C VAL A 63 -7.447 9.556 1.476 1.00 0.00 C ATOM 962 O VAL A 63 -8.359 10.368 1.627 1.00 0.00 O ATOM 963 CB VAL A 63 -5.683 11.149 0.259 1.00 0.00 C ATOM 964 CG1 VAL A 63 -6.539 12.294 -0.333 1.00 0.00 C ATOM 965 CG2 VAL A 63 -5.113 11.641 1.610 1.00 0.00 C ATOM 0 H VAL A 63 -7.823 9.596 -1.208 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.576 9.047 0.658 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.880 10.943 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.959 13.217 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.827 12.042 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.434 12.430 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.659 12.623 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.918 11.709 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.359 10.938 1.965 1.00 0.00 H new ATOM 975 N MET A 64 -7.321 8.538 2.343 1.00 0.00 N ATOM 976 CA MET A 64 -8.230 8.295 3.507 1.00 0.00 C ATOM 977 C MET A 64 -8.287 9.456 4.570 1.00 0.00 C ATOM 978 O MET A 64 -7.269 9.830 5.165 1.00 0.00 O ATOM 979 CB MET A 64 -7.804 6.936 4.138 1.00 0.00 C ATOM 980 CG MET A 64 -8.637 5.730 3.678 1.00 0.00 C ATOM 981 SD MET A 64 -10.286 5.846 4.390 1.00 0.00 S ATOM 982 CE MET A 64 -10.954 4.321 3.729 1.00 0.00 C ATOM 0 H MET A 64 -6.578 7.843 2.266 1.00 0.00 H new ATOM 0 HA MET A 64 -9.256 8.262 3.140 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.757 6.751 3.898 1.00 0.00 H new ATOM 0 HB3 MET A 64 -7.873 7.016 5.223 1.00 0.00 H new ATOM 0 HG2 MET A 64 -8.698 5.708 2.590 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.158 4.802 3.989 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.678 3.906 4.431 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.446 4.522 2.777 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.146 3.606 3.576 1.00 0.00 H new ATOM 992 N SER A 65 -9.476 10.052 4.778 1.00 0.00 N ATOM 993 CA SER A 65 -9.659 11.247 5.658 1.00 0.00 C ATOM 994 C SER A 65 -11.087 11.271 6.327 1.00 0.00 C ATOM 995 O SER A 65 -11.803 10.265 6.366 1.00 0.00 O ATOM 996 CB SER A 65 -9.319 12.497 4.783 1.00 0.00 C ATOM 997 OG SER A 65 -9.122 13.658 5.597 1.00 0.00 O ATOM 0 H SER A 65 -10.342 9.728 4.347 1.00 0.00 H new ATOM 0 HA SER A 65 -8.988 11.228 6.517 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.420 12.302 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.127 12.679 4.074 1.00 0.00 H new ATOM 0 HG SER A 65 -8.909 14.426 5.026 1.00 0.00 H new ATOM 1088 N PHE A 71 -8.920 18.608 0.012 1.00 0.00 N ATOM 1089 CA PHE A 71 -7.617 18.910 -0.668 1.00 0.00 C ATOM 1090 C PHE A 71 -7.808 19.447 -2.134 1.00 0.00 C ATOM 1091 O PHE A 71 -8.339 18.746 -3.004 1.00 0.00 O ATOM 1092 CB PHE A 71 -6.672 17.666 -0.659 1.00 0.00 C ATOM 1093 CG PHE A 71 -6.414 16.954 0.685 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -5.573 17.521 1.648 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -6.991 15.703 0.932 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -5.310 16.844 2.838 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -6.736 15.031 2.125 1.00 0.00 C ATOM 1098 CZ PHE A 71 -5.896 15.605 3.076 1.00 0.00 C ATOM 0 HA PHE A 71 -7.149 19.708 -0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.083 16.931 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.708 17.978 -1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.125 18.487 1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.638 15.256 0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.652 17.281 3.574 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.188 14.068 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.699 15.086 4.002 1.00 0.00 H new ATOM 1108 N SER A 72 -7.345 20.677 -2.412 1.00 0.00 N ATOM 1109 CA SER A 72 -7.340 21.261 -3.786 1.00 0.00 C ATOM 1110 C SER A 72 -6.066 20.878 -4.615 1.00 0.00 C ATOM 1111 O SER A 72 -5.131 21.673 -4.753 1.00 0.00 O ATOM 1112 CB SER A 72 -7.547 22.787 -3.635 1.00 0.00 C ATOM 1113 OG SER A 72 -7.643 23.407 -4.920 1.00 0.00 O ATOM 0 H SER A 72 -6.963 21.301 -1.702 1.00 0.00 H new ATOM 0 HA SER A 72 -8.154 20.839 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.453 22.982 -3.061 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.717 23.219 -3.077 1.00 0.00 H new ATOM 0 HG SER A 72 -7.775 24.372 -4.809 1.00 0.00 H new ATOM 1119 N VAL A 73 -6.067 19.662 -5.177 1.00 0.00 N ATOM 1120 CA VAL A 73 -4.977 19.146 -6.070 1.00 0.00 C ATOM 1121 C VAL A 73 -5.568 18.874 -7.508 1.00 0.00 C ATOM 1122 O VAL A 73 -6.788 18.758 -7.698 1.00 0.00 O ATOM 1123 CB VAL A 73 -4.271 17.868 -5.451 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.855 17.606 -6.030 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -4.120 17.788 -3.911 1.00 0.00 C ATOM 0 H VAL A 73 -6.822 18.991 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.196 19.901 -6.159 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.999 17.113 -5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.430 16.718 -5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.925 17.452 -7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.214 18.464 -5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.619 16.858 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.529 18.633 -3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.106 17.816 -3.447 1.00 0.00 H new ATOM 1135 N ASP A 74 -4.686 18.709 -8.506 1.00 0.00 N ATOM 1136 CA ASP A 74 -5.019 18.381 -9.928 1.00 0.00 C ATOM 1137 C ASP A 74 -6.106 17.258 -10.155 1.00 0.00 C ATOM 1138 O ASP A 74 -7.231 17.554 -10.573 1.00 0.00 O ATOM 1139 CB ASP A 74 -3.649 18.105 -10.627 1.00 0.00 C ATOM 1140 CG ASP A 74 -2.778 19.342 -10.837 1.00 0.00 C ATOM 1141 OD1 ASP A 74 -2.170 19.817 -9.853 1.00 0.00 O ATOM 1142 OD2 ASP A 74 -2.742 19.867 -11.968 1.00 0.00 O ATOM 0 H ASP A 74 -3.682 18.801 -8.354 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.538 19.225 -10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.092 17.382 -10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.838 17.642 -11.595 1.00 0.00 H new ATOM 1147 N THR A 75 -5.812 15.987 -9.814 1.00 0.00 N ATOM 1148 CA THR A 75 -6.814 14.867 -9.855 1.00 0.00 C ATOM 1149 C THR A 75 -6.874 13.972 -8.558 1.00 0.00 C ATOM 1150 O THR A 75 -7.008 12.742 -8.612 1.00 0.00 O ATOM 1151 CB THR A 75 -6.702 14.106 -11.216 1.00 0.00 C ATOM 1152 OG1 THR A 75 -7.729 13.130 -11.343 1.00 0.00 O ATOM 1153 CG2 THR A 75 -5.386 13.354 -11.453 1.00 0.00 C ATOM 0 H THR A 75 -4.886 15.695 -9.503 1.00 0.00 H new ATOM 0 HA THR A 75 -7.811 15.307 -9.825 1.00 0.00 H new ATOM 0 HB THR A 75 -6.777 14.911 -11.947 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.834 12.653 -10.493 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.417 12.863 -12.426 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.555 14.059 -11.429 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.249 12.605 -10.673 1.00 0.00 H new ATOM 1161 N ALA A 76 -6.875 14.593 -7.365 1.00 0.00 N ATOM 1162 CA ALA A 76 -6.970 13.864 -6.072 1.00 0.00 C ATOM 1163 C ALA A 76 -8.442 13.603 -5.588 1.00 0.00 C ATOM 1164 O ALA A 76 -9.367 14.386 -5.841 1.00 0.00 O ATOM 1165 CB ALA A 76 -6.161 14.693 -5.061 1.00 0.00 C ATOM 0 H ALA A 76 -6.811 15.606 -7.262 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.566 12.858 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.192 14.208 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.127 14.768 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.590 15.692 -4.983 1.00 0.00 H new ATOM 1171 N HIS A 77 -8.673 12.480 -4.896 1.00 0.00 N ATOM 1172 CA HIS A 77 -10.015 12.107 -4.358 1.00 0.00 C ATOM 1173 C HIS A 77 -9.841 11.490 -2.931 1.00 0.00 C ATOM 1174 O HIS A 77 -9.120 10.505 -2.783 1.00 0.00 O ATOM 1175 CB HIS A 77 -10.707 11.075 -5.297 1.00 0.00 C ATOM 1176 CG HIS A 77 -11.205 11.519 -6.681 1.00 0.00 C ATOM 1177 ND1 HIS A 77 -12.525 11.354 -7.080 1.00 0.00 N ATOM 1178 CD2 HIS A 77 -10.406 11.806 -7.810 1.00 0.00 C ATOM 1179 CE1 HIS A 77 -12.408 11.468 -8.445 1.00 0.00 C ATOM 1180 NE2 HIS A 77 -11.183 11.780 -8.966 1.00 0.00 N ATOM 0 H HIS A 77 -7.945 11.797 -4.686 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.640 12.998 -4.302 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -10.007 10.254 -5.451 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -11.563 10.667 -4.758 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.347 12.015 -7.781 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.261 11.315 -9.089 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.912 11.948 -9.935 1.00 0.00 H new ATOM 1189 N ARG A 78 -10.496 11.993 -1.869 1.00 0.00 N ATOM 1190 CA ARG A 78 -10.418 11.342 -0.517 1.00 0.00 C ATOM 1191 C ARG A 78 -11.326 10.057 -0.367 1.00 0.00 C ATOM 1192 O ARG A 78 -12.220 9.832 -1.188 1.00 0.00 O ATOM 1193 CB ARG A 78 -10.522 12.461 0.586 1.00 0.00 C ATOM 1194 CG ARG A 78 -11.775 12.598 1.511 1.00 0.00 C ATOM 1195 CD ARG A 78 -13.167 12.348 0.903 1.00 0.00 C ATOM 1196 NE ARG A 78 -13.298 13.135 -0.347 1.00 0.00 N ATOM 1197 CZ ARG A 78 -14.053 12.798 -1.376 1.00 0.00 C ATOM 1198 NH1 ARG A 78 -14.800 11.736 -1.435 1.00 0.00 N ATOM 1199 NH2 ARG A 78 -14.061 13.596 -2.375 1.00 0.00 N ATOM 0 H ARG A 78 -11.078 12.830 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.443 10.876 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.660 12.338 1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.401 13.417 0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.649 11.908 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.771 13.605 1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.302 11.287 0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.944 12.635 1.611 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.765 14.002 -0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.831 11.090 -0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.355 11.548 -2.270 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.500 14.448 -2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.628 13.381 -3.195 1.00 0.00 H new ATOM 1213 N ALA A 79 -11.134 9.267 0.699 1.00 0.00 N ATOM 1214 CA ALA A 79 -12.056 8.149 1.066 1.00 0.00 C ATOM 1215 C ALA A 79 -12.431 8.100 2.593 1.00 0.00 C ATOM 1216 O ALA A 79 -11.652 8.518 3.457 1.00 0.00 O ATOM 1217 CB ALA A 79 -11.398 6.852 0.558 1.00 0.00 C ATOM 0 H ALA A 79 -10.345 9.372 1.336 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.025 8.300 0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.034 6.001 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.268 6.909 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.426 6.726 1.035 1.00 0.00 H new ATOM 1223 N ALA A 80 -13.626 7.584 2.927 1.00 0.00 N ATOM 1224 CA ALA A 80 -14.048 7.301 4.332 1.00 0.00 C ATOM 1225 C ALA A 80 -14.094 5.784 4.735 1.00 0.00 C ATOM 1226 O ALA A 80 -13.586 5.428 5.804 1.00 0.00 O ATOM 1227 CB ALA A 80 -15.424 7.961 4.544 1.00 0.00 C ATOM 0 H ALA A 80 -14.338 7.346 2.236 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.282 7.718 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.764 7.774 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -15.341 9.035 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.141 7.541 3.839 1.00 0.00 H new ATOM 1233 N SER A 81 -14.720 4.918 3.923 1.00 0.00 N ATOM 1234 CA SER A 81 -14.862 3.459 4.197 1.00 0.00 C ATOM 1235 C SER A 81 -14.096 2.568 3.146 1.00 0.00 C ATOM 1236 O SER A 81 -13.408 3.065 2.246 1.00 0.00 O ATOM 1237 CB SER A 81 -16.391 3.194 4.177 1.00 0.00 C ATOM 1238 OG SER A 81 -17.144 3.851 5.198 1.00 0.00 O ATOM 0 H SER A 81 -15.151 5.204 3.044 1.00 0.00 H new ATOM 0 HA SER A 81 -14.414 3.190 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.782 3.501 3.207 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.557 2.120 4.262 1.00 0.00 H new ATOM 0 HG SER A 81 -18.101 3.757 5.010 1.00 0.00 H new ATOM 1244 N VAL A 82 -14.274 1.232 3.199 1.00 0.00 N ATOM 1245 CA VAL A 82 -13.933 0.320 2.052 1.00 0.00 C ATOM 1246 C VAL A 82 -14.684 0.704 0.719 1.00 0.00 C ATOM 1247 O VAL A 82 -14.025 0.987 -0.290 1.00 0.00 O ATOM 1248 CB VAL A 82 -14.126 -1.170 2.523 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -14.114 -2.241 1.401 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -13.065 -1.621 3.558 1.00 0.00 C ATOM 0 H VAL A 82 -14.650 0.748 4.014 1.00 0.00 H new ATOM 0 HA VAL A 82 -12.885 0.443 1.777 1.00 0.00 H new ATOM 0 HB VAL A 82 -15.125 -1.127 2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -14.255 -3.229 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -14.920 -2.038 0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.158 -2.209 0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.252 -2.656 3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.071 -1.539 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.125 -0.985 4.441 1.00 0.00 H new ATOM 1260 N GLU A 83 -16.025 0.752 0.725 1.00 0.00 N ATOM 1261 CA GLU A 83 -16.862 1.253 -0.403 1.00 0.00 C ATOM 1262 C GLU A 83 -16.548 2.655 -1.047 1.00 0.00 C ATOM 1263 O GLU A 83 -16.569 2.746 -2.276 1.00 0.00 O ATOM 1264 CB GLU A 83 -18.363 1.067 -0.025 1.00 0.00 C ATOM 1265 CG GLU A 83 -18.942 1.844 1.201 1.00 0.00 C ATOM 1266 CD GLU A 83 -18.678 1.316 2.610 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -17.974 0.302 2.798 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -19.152 1.970 3.564 1.00 0.00 O ATOM 0 H GLU A 83 -16.579 0.441 1.523 1.00 0.00 H new ATOM 0 HA GLU A 83 -16.572 0.629 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.957 1.340 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.527 0.004 0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.558 2.863 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -20.022 1.905 1.070 1.00 0.00 H new ATOM 1275 N GLU A 84 -16.196 3.728 -0.286 1.00 0.00 N ATOM 1276 CA GLU A 84 -15.731 5.026 -0.897 1.00 0.00 C ATOM 1277 C GLU A 84 -14.528 4.894 -1.908 1.00 0.00 C ATOM 1278 O GLU A 84 -14.617 5.423 -3.012 1.00 0.00 O ATOM 1279 CB GLU A 84 -15.425 6.151 0.153 1.00 0.00 C ATOM 1280 CG GLU A 84 -16.564 7.177 0.439 1.00 0.00 C ATOM 1281 CD GLU A 84 -16.207 8.537 1.055 1.00 0.00 C ATOM 1282 OE1 GLU A 84 -15.356 9.283 0.516 1.00 0.00 O ATOM 1283 OE2 GLU A 84 -16.828 8.898 2.075 1.00 0.00 O ATOM 0 H GLU A 84 -16.221 3.731 0.734 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.602 5.331 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.155 5.672 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.549 6.703 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.078 7.368 -0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.282 6.694 1.102 1.00 0.00 H new ATOM 1290 N ALA A 85 -13.423 4.206 -1.548 1.00 0.00 N ATOM 1291 CA ALA A 85 -12.317 3.914 -2.521 1.00 0.00 C ATOM 1292 C ALA A 85 -12.550 2.796 -3.601 1.00 0.00 C ATOM 1293 O ALA A 85 -11.869 2.827 -4.636 1.00 0.00 O ATOM 1294 CB ALA A 85 -10.979 3.805 -1.754 1.00 0.00 C ATOM 0 H ALA A 85 -13.262 3.842 -0.609 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.289 4.774 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.173 3.593 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.776 4.745 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.044 3.000 -1.022 1.00 0.00 H new ATOM 1300 N VAL A 86 -13.503 1.861 -3.443 1.00 0.00 N ATOM 1301 CA VAL A 86 -13.943 0.925 -4.527 1.00 0.00 C ATOM 1302 C VAL A 86 -14.717 1.640 -5.684 1.00 0.00 C ATOM 1303 O VAL A 86 -14.283 1.538 -6.834 1.00 0.00 O ATOM 1304 CB VAL A 86 -14.685 -0.330 -3.939 1.00 0.00 C ATOM 1305 CG1 VAL A 86 -15.206 -1.323 -5.007 1.00 0.00 C ATOM 1306 CG2 VAL A 86 -13.791 -1.150 -2.985 1.00 0.00 C ATOM 0 H VAL A 86 -13.999 1.722 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 86 -13.041 0.545 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.530 0.113 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.704 -2.158 -4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.913 -0.814 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.368 -1.696 -5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.351 -2.005 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.911 -1.502 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.479 -0.523 -2.150 1.00 0.00 H new ATOM 1316 N ASP A 87 -15.819 2.364 -5.411 1.00 0.00 N ATOM 1317 CA ASP A 87 -16.610 3.091 -6.456 1.00 0.00 C ATOM 1318 C ASP A 87 -15.809 4.154 -7.309 1.00 0.00 C ATOM 1319 O ASP A 87 -16.007 4.230 -8.530 1.00 0.00 O ATOM 1320 CB ASP A 87 -17.903 3.656 -5.794 1.00 0.00 C ATOM 1321 CG ASP A 87 -19.016 2.631 -5.557 1.00 0.00 C ATOM 1322 OD1 ASP A 87 -19.004 1.950 -4.513 1.00 0.00 O ATOM 1323 OD2 ASP A 87 -19.921 2.521 -6.415 1.00 0.00 O ATOM 0 H ASP A 87 -16.195 2.469 -4.469 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.880 2.366 -7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.636 4.106 -4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.295 4.455 -6.423 1.00 0.00 H new ATOM 1328 N ILE A 88 -14.866 4.931 -6.742 1.00 0.00 N ATOM 1329 CA ILE A 88 -13.848 5.700 -7.549 1.00 0.00 C ATOM 1330 C ILE A 88 -12.797 4.851 -8.347 1.00 0.00 C ATOM 1331 O ILE A 88 -12.481 5.255 -9.464 1.00 0.00 O ATOM 1332 CB ILE A 88 -13.126 6.864 -6.768 1.00 0.00 C ATOM 1333 CG1 ILE A 88 -12.757 6.527 -5.298 1.00 0.00 C ATOM 1334 CG2 ILE A 88 -13.955 8.164 -6.823 1.00 0.00 C ATOM 1335 CD1 ILE A 88 -11.515 7.209 -4.717 1.00 0.00 C ATOM 0 H ILE A 88 -14.773 5.055 -5.734 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.500 6.149 -8.299 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.178 7.005 -7.288 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.609 6.783 -4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.617 5.449 -5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.435 8.951 -6.277 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.086 8.469 -7.861 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -14.931 7.992 -6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.372 6.887 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.640 6.936 -5.307 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.648 8.291 -4.744 1.00 0.00 H new ATOM 1347 N ALA A 89 -12.253 3.716 -7.854 1.00 0.00 N ATOM 1348 CA ALA A 89 -11.508 2.754 -8.723 1.00 0.00 C ATOM 1349 C ALA A 89 -12.323 2.129 -9.918 1.00 0.00 C ATOM 1350 O ALA A 89 -11.833 2.140 -11.051 1.00 0.00 O ATOM 1351 CB ALA A 89 -10.862 1.714 -7.788 1.00 0.00 C ATOM 0 H ALA A 89 -12.310 3.439 -6.874 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.744 3.303 -9.274 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.305 0.988 -8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.184 2.216 -7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.640 1.201 -7.222 1.00 0.00 H new ATOM 1357 N ALA A 90 -13.580 1.691 -9.706 1.00 0.00 N ATOM 1358 CA ALA A 90 -14.556 1.439 -10.807 1.00 0.00 C ATOM 1359 C ALA A 90 -14.875 2.621 -11.798 1.00 0.00 C ATOM 1360 O ALA A 90 -15.014 2.391 -13.002 1.00 0.00 O ATOM 1361 CB ALA A 90 -15.825 0.858 -10.149 1.00 0.00 C ATOM 0 H ALA A 90 -13.954 1.500 -8.776 1.00 0.00 H new ATOM 0 HA ALA A 90 -14.079 0.741 -11.495 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.573 0.656 -10.916 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.575 -0.069 -9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -16.225 1.576 -9.433 1.00 0.00 H new ATOM 1367 N SER A 91 -14.973 3.877 -11.326 1.00 0.00 N ATOM 1368 CA SER A 91 -15.008 5.082 -12.219 1.00 0.00 C ATOM 1369 C SER A 91 -13.654 5.571 -12.849 1.00 0.00 C ATOM 1370 O SER A 91 -13.708 6.465 -13.711 1.00 0.00 O ATOM 1371 CB SER A 91 -15.710 6.239 -11.460 1.00 0.00 C ATOM 1372 OG SER A 91 -15.902 7.367 -12.320 1.00 0.00 O ATOM 0 H SER A 91 -15.030 4.099 -10.332 1.00 0.00 H new ATOM 0 HA SER A 91 -15.564 4.756 -13.098 1.00 0.00 H new ATOM 0 HB2 SER A 91 -16.673 5.899 -11.078 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.111 6.531 -10.598 1.00 0.00 H new ATOM 0 HG SER A 91 -15.321 7.283 -13.105 1.00 0.00 H new ATOM 1378 N LEU A 92 -12.492 5.085 -12.421 1.00 0.00 N ATOM 1379 CA LEU A 92 -11.179 5.300 -13.102 1.00 0.00 C ATOM 1380 C LEU A 92 -10.702 4.135 -14.045 1.00 0.00 C ATOM 1381 O LEU A 92 -9.822 4.390 -14.876 1.00 0.00 O ATOM 1382 CB LEU A 92 -10.144 5.660 -11.984 1.00 0.00 C ATOM 1383 CG LEU A 92 -10.349 7.051 -11.290 1.00 0.00 C ATOM 1384 CD1 LEU A 92 -9.675 7.094 -9.909 1.00 0.00 C ATOM 1385 CD2 LEU A 92 -9.782 8.193 -12.158 1.00 0.00 C ATOM 0 H LEU A 92 -12.415 4.518 -11.577 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.286 6.118 -13.815 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.179 4.884 -11.219 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.145 5.635 -12.418 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.423 7.187 -11.167 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.836 8.072 -9.456 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.105 6.322 -9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.605 6.918 -10.021 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.938 9.146 -11.652 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.715 8.036 -12.315 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.292 8.206 -13.121 1.00 0.00 H new ATOM 1397 N ASP A 93 -11.276 2.915 -13.968 1.00 0.00 N ATOM 1398 CA ASP A 93 -10.928 1.737 -14.820 1.00 0.00 C ATOM 1399 C ASP A 93 -9.599 1.069 -14.326 1.00 0.00 C ATOM 1400 O ASP A 93 -9.641 0.235 -13.411 1.00 0.00 O ATOM 1401 CB ASP A 93 -11.131 2.016 -16.345 1.00 0.00 C ATOM 1402 CG ASP A 93 -11.719 0.878 -17.185 1.00 0.00 C ATOM 1403 OD1 ASP A 93 -12.562 0.105 -16.682 1.00 0.00 O ATOM 1404 OD2 ASP A 93 -11.374 0.783 -18.381 1.00 0.00 O ATOM 0 H ASP A 93 -12.015 2.708 -13.296 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.651 0.932 -14.686 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.782 2.884 -16.447 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.166 2.289 -16.771 1.00 0.00 H new ATOM 1409 N ALA A 94 -8.434 1.499 -14.851 1.00 0.00 N ATOM 1410 CA ALA A 94 -7.082 1.155 -14.302 1.00 0.00 C ATOM 1411 C ALA A 94 -6.671 -0.365 -14.393 1.00 0.00 C ATOM 1412 O ALA A 94 -7.517 -1.272 -14.359 1.00 0.00 O ATOM 1413 CB ALA A 94 -6.963 1.789 -12.886 1.00 0.00 C ATOM 0 H ALA A 94 -8.391 2.100 -15.674 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.325 1.593 -14.953 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.987 1.553 -12.463 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.075 2.871 -12.961 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.744 1.388 -12.241 1.00 0.00 H new ATOM 1419 N GLU A 95 -5.359 -0.690 -14.444 1.00 0.00 N ATOM 1420 CA GLU A 95 -4.876 -2.092 -14.227 1.00 0.00 C ATOM 1421 C GLU A 95 -5.218 -2.638 -12.788 1.00 0.00 C ATOM 1422 O GLU A 95 -6.059 -3.537 -12.636 1.00 0.00 O ATOM 1423 CB GLU A 95 -3.365 -2.233 -14.579 1.00 0.00 C ATOM 1424 CG GLU A 95 -2.945 -2.137 -16.074 1.00 0.00 C ATOM 1425 CD GLU A 95 -1.661 -2.874 -16.464 1.00 0.00 C ATOM 1426 OE1 GLU A 95 -0.867 -3.291 -15.586 1.00 0.00 O ATOM 1427 OE2 GLU A 95 -1.452 -3.051 -17.682 1.00 0.00 O ATOM 0 H GLU A 95 -4.616 -0.016 -14.631 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.426 -2.729 -14.919 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.822 -1.463 -14.031 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.023 -3.196 -14.199 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.761 -2.524 -16.685 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.827 -1.084 -16.330 1.00 0.00 H new ATOM 1434 N THR A 96 -4.625 -2.044 -11.741 1.00 0.00 N ATOM 1435 CA THR A 96 -4.974 -2.320 -10.319 1.00 0.00 C ATOM 1436 C THR A 96 -4.728 -1.071 -9.411 1.00 0.00 C ATOM 1437 O THR A 96 -3.780 -0.310 -9.623 1.00 0.00 O ATOM 1438 CB THR A 96 -4.300 -3.632 -9.807 1.00 0.00 C ATOM 1439 OG1 THR A 96 -4.753 -3.950 -8.498 1.00 0.00 O ATOM 1440 CG2 THR A 96 -2.773 -3.713 -9.772 1.00 0.00 C ATOM 0 H THR A 96 -3.883 -1.352 -11.847 1.00 0.00 H new ATOM 0 HA THR A 96 -6.046 -2.507 -10.259 1.00 0.00 H new ATOM 0 HB THR A 96 -4.610 -4.337 -10.578 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.322 -4.776 -8.194 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.469 -4.688 -9.392 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.378 -3.577 -10.779 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.382 -2.932 -9.120 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.579 -0.854 -8.393 1.00 0.00 N ATOM 1449 CA ALA A 97 -5.373 0.217 -7.382 1.00 0.00 C ATOM 1450 C ALA A 97 -4.596 -0.310 -6.124 1.00 0.00 C ATOM 1451 O ALA A 97 -4.733 -1.474 -5.727 1.00 0.00 O ATOM 1452 CB ALA A 97 -6.781 0.752 -7.055 1.00 0.00 C ATOM 0 H ALA A 97 -6.423 -1.406 -8.242 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.741 1.021 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.705 1.547 -6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.241 1.144 -7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.394 -0.057 -6.658 1.00 0.00 H new ATOM 1458 N TYR A 98 -3.762 0.532 -5.499 1.00 0.00 N ATOM 1459 CA TYR A 98 -2.656 0.032 -4.618 1.00 0.00 C ATOM 1460 C TYR A 98 -2.618 0.752 -3.227 1.00 0.00 C ATOM 1461 O TYR A 98 -2.337 1.952 -3.154 1.00 0.00 O ATOM 1462 CB TYR A 98 -1.262 0.025 -5.342 1.00 0.00 C ATOM 1463 CG TYR A 98 -1.076 0.592 -6.764 1.00 0.00 C ATOM 1464 CD1 TYR A 98 -0.975 1.970 -6.957 1.00 0.00 C ATOM 1465 CD2 TYR A 98 -1.028 -0.264 -7.869 1.00 0.00 C ATOM 1466 CE1 TYR A 98 -0.807 2.487 -8.243 1.00 0.00 C ATOM 1467 CE2 TYR A 98 -0.846 0.255 -9.151 1.00 0.00 C ATOM 1468 CZ TYR A 98 -0.724 1.629 -9.325 1.00 0.00 C ATOM 1469 OH TYR A 98 -0.452 2.122 -10.570 1.00 0.00 O ATOM 0 H TYR A 98 -3.816 1.548 -5.574 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.887 -1.012 -4.406 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.570 0.564 -4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.928 -1.012 -5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.027 2.638 -6.110 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.132 -1.330 -7.729 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.742 3.555 -8.393 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.800 -0.407 -10.003 1.00 0.00 H new ATOM 0 HH TYR A 98 0.406 1.766 -10.882 1.00 0.00 H new ATOM 1479 N VAL A 99 -2.860 0.023 -2.119 1.00 0.00 N ATOM 1480 CA VAL A 99 -2.872 0.593 -0.730 1.00 0.00 C ATOM 1481 C VAL A 99 -1.425 0.697 -0.133 1.00 0.00 C ATOM 1482 O VAL A 99 -0.822 -0.318 0.208 1.00 0.00 O ATOM 1483 CB VAL A 99 -3.859 -0.192 0.214 1.00 0.00 C ATOM 1484 CG1 VAL A 99 -3.901 0.288 1.687 1.00 0.00 C ATOM 1485 CG2 VAL A 99 -5.327 -0.116 -0.266 1.00 0.00 C ATOM 0 H VAL A 99 -3.054 -0.978 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.253 1.612 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.447 -1.200 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.611 -0.320 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.910 0.189 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.211 1.332 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.964 -0.674 0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.647 0.925 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.406 -0.546 -1.264 1.00 0.00 H new ATOM 1495 N ILE A 100 -0.899 1.917 0.069 1.00 0.00 N ATOM 1496 CA ILE A 100 0.402 2.151 0.779 1.00 0.00 C ATOM 1497 C ILE A 100 0.386 1.770 2.313 1.00 0.00 C ATOM 1498 O ILE A 100 1.234 1.018 2.805 1.00 0.00 O ATOM 1499 CB ILE A 100 0.874 3.647 0.562 1.00 0.00 C ATOM 1500 CG1 ILE A 100 0.930 4.223 -0.890 1.00 0.00 C ATOM 1501 CG2 ILE A 100 2.224 3.992 1.243 1.00 0.00 C ATOM 1502 CD1 ILE A 100 1.759 3.457 -1.940 1.00 0.00 C ATOM 0 H ILE A 100 -1.350 2.775 -0.248 1.00 0.00 H new ATOM 0 HA ILE A 100 1.124 1.469 0.330 1.00 0.00 H new ATOM 0 HB ILE A 100 0.032 4.137 1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.093 4.296 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.321 5.239 -0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.475 5.034 1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.139 3.836 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.008 3.348 0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.703 3.976 -2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.798 3.405 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.363 2.448 -2.051 1.00 0.00 H new ATOM 1514 N GLY A 101 -0.504 2.415 3.078 1.00 0.00 N ATOM 1515 CA GLY A 101 -0.292 2.675 4.523 1.00 0.00 C ATOM 1516 C GLY A 101 -0.716 4.105 4.971 1.00 0.00 C ATOM 1517 O GLY A 101 -1.224 4.926 4.199 1.00 0.00 O ATOM 0 H GLY A 101 -1.390 2.773 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.854 1.941 5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.762 2.528 4.759 1.00 0.00 H new ATOM 1521 N GLY A 102 -0.605 4.518 6.237 1.00 0.00 N ATOM 1522 CA GLY A 102 -0.129 3.666 7.364 1.00 0.00 C ATOM 1523 C GLY A 102 -1.138 2.627 7.930 1.00 0.00 C ATOM 1524 O GLY A 102 -2.098 2.219 7.268 1.00 0.00 O ATOM 0 H GLY A 102 -0.844 5.466 6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.761 3.130 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 102 0.178 4.321 8.179 1.00 0.00 H new ATOM 1528 N ALA A 103 -0.907 2.170 9.165 1.00 0.00 N ATOM 1529 CA ALA A 103 -1.545 0.922 9.669 1.00 0.00 C ATOM 1530 C ALA A 103 -3.104 0.845 9.828 1.00 0.00 C ATOM 1531 O ALA A 103 -3.669 -0.164 9.405 1.00 0.00 O ATOM 1532 CB ALA A 103 -0.799 0.493 10.933 1.00 0.00 C ATOM 0 H ALA A 103 -0.293 2.630 9.837 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.437 0.214 8.847 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.245 -0.421 11.326 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.249 0.312 10.693 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.868 1.282 11.682 1.00 0.00 H new ATOM 1538 N ALA A 104 -3.819 1.846 10.376 1.00 0.00 N ATOM 1539 CA ALA A 104 -5.323 1.842 10.380 1.00 0.00 C ATOM 1540 C ALA A 104 -6.067 1.894 8.991 1.00 0.00 C ATOM 1541 O ALA A 104 -7.165 1.348 8.853 1.00 0.00 O ATOM 1542 CB ALA A 104 -5.783 2.969 11.320 1.00 0.00 C ATOM 0 H ALA A 104 -3.401 2.664 10.820 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.618 0.853 10.731 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.872 2.997 11.349 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.398 2.786 12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.405 3.924 10.955 1.00 0.00 H new ATOM 1548 N ILE A 105 -5.448 2.518 7.975 1.00 0.00 N ATOM 1549 CA ILE A 105 -5.838 2.389 6.537 1.00 0.00 C ATOM 1550 C ILE A 105 -5.672 0.915 6.008 1.00 0.00 C ATOM 1551 O ILE A 105 -6.638 0.320 5.525 1.00 0.00 O ATOM 1552 CB ILE A 105 -5.056 3.490 5.708 1.00 0.00 C ATOM 1553 CG1 ILE A 105 -5.393 4.973 6.075 1.00 0.00 C ATOM 1554 CG2 ILE A 105 -5.248 3.350 4.177 1.00 0.00 C ATOM 1555 CD1 ILE A 105 -4.603 5.570 7.255 1.00 0.00 C ATOM 0 H ILE A 105 -4.650 3.137 8.118 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.903 2.581 6.410 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.024 3.288 5.994 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.219 5.593 5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.456 5.037 6.305 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.687 4.133 3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -4.886 2.374 3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.306 3.444 3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.918 6.600 7.420 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.794 4.984 8.154 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.537 5.549 7.027 1.00 0.00 H new ATOM 1567 N TYR A 106 -4.466 0.320 6.149 1.00 0.00 N ATOM 1568 CA TYR A 106 -4.215 -1.135 5.926 1.00 0.00 C ATOM 1569 C TYR A 106 -5.154 -2.156 6.684 1.00 0.00 C ATOM 1570 O TYR A 106 -5.547 -3.167 6.099 1.00 0.00 O ATOM 1571 CB TYR A 106 -2.700 -1.372 6.243 1.00 0.00 C ATOM 1572 CG TYR A 106 -1.945 -2.289 5.269 1.00 0.00 C ATOM 1573 CD1 TYR A 106 -1.423 -1.754 4.089 1.00 0.00 C ATOM 1574 CD2 TYR A 106 -1.656 -3.615 5.609 1.00 0.00 C ATOM 1575 CE1 TYR A 106 -0.608 -2.528 3.265 1.00 0.00 C ATOM 1576 CE2 TYR A 106 -0.845 -4.390 4.781 1.00 0.00 C ATOM 1577 CZ TYR A 106 -0.321 -3.843 3.612 1.00 0.00 C ATOM 1578 OH TYR A 106 0.478 -4.601 2.797 1.00 0.00 O ATOM 0 H TYR A 106 -3.629 0.834 6.423 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.471 -1.356 4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.198 -0.405 6.264 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.620 -1.794 7.245 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.652 -0.735 3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -2.062 -4.039 6.515 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.200 -2.107 2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.623 -5.413 5.046 1.00 0.00 H new ATOM 0 HH TYR A 106 0.965 -5.259 3.336 1.00 0.00 H new ATOM 1588 N ALA A 107 -5.533 -1.896 7.958 1.00 0.00 N ATOM 1589 CA ALA A 107 -6.480 -2.740 8.739 1.00 0.00 C ATOM 1590 C ALA A 107 -7.915 -2.968 8.169 1.00 0.00 C ATOM 1591 O ALA A 107 -8.317 -4.121 7.990 1.00 0.00 O ATOM 1592 CB ALA A 107 -6.519 -2.161 10.167 1.00 0.00 C ATOM 0 H ALA A 107 -5.190 -1.090 8.480 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.086 -3.755 8.692 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.203 -2.749 10.779 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -5.520 -2.197 10.602 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.862 -1.127 10.131 1.00 0.00 H new ATOM 1598 N LEU A 108 -8.677 -1.898 7.873 1.00 0.00 N ATOM 1599 CA LEU A 108 -9.979 -2.035 7.149 1.00 0.00 C ATOM 1600 C LEU A 108 -9.903 -2.586 5.684 1.00 0.00 C ATOM 1601 O LEU A 108 -10.828 -3.278 5.249 1.00 0.00 O ATOM 1602 CB LEU A 108 -10.807 -0.724 7.333 1.00 0.00 C ATOM 1603 CG LEU A 108 -10.265 0.606 6.728 1.00 0.00 C ATOM 1604 CD1 LEU A 108 -10.666 0.816 5.260 1.00 0.00 C ATOM 1605 CD2 LEU A 108 -10.796 1.809 7.523 1.00 0.00 C ATOM 0 H LEU A 108 -8.429 -0.939 8.115 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.527 -2.852 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.796 -0.898 6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.941 -0.568 8.403 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.179 0.531 6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.256 1.760 4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.274 -0.002 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.753 0.839 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.409 2.731 7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.885 1.819 7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.471 1.732 8.560 1.00 0.00 H new ATOM 1617 N PHE A 109 -8.818 -2.297 4.932 1.00 0.00 N ATOM 1618 CA PHE A 109 -8.643 -2.788 3.545 1.00 0.00 C ATOM 1619 C PHE A 109 -8.224 -4.279 3.349 1.00 0.00 C ATOM 1620 O PHE A 109 -8.842 -4.912 2.493 1.00 0.00 O ATOM 1621 CB PHE A 109 -7.775 -1.777 2.738 1.00 0.00 C ATOM 1622 CG PHE A 109 -8.598 -0.713 1.989 1.00 0.00 C ATOM 1623 CD1 PHE A 109 -9.562 -1.099 1.046 1.00 0.00 C ATOM 1624 CD2 PHE A 109 -8.434 0.646 2.276 1.00 0.00 C ATOM 1625 CE1 PHE A 109 -10.398 -0.155 0.464 1.00 0.00 C ATOM 1626 CE2 PHE A 109 -9.266 1.593 1.684 1.00 0.00 C ATOM 1627 CZ PHE A 109 -10.260 1.183 0.799 1.00 0.00 C ATOM 0 H PHE A 109 -8.044 -1.722 5.265 1.00 0.00 H new ATOM 0 HA PHE A 109 -9.650 -2.824 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -7.087 -1.277 3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.168 -2.327 2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -9.655 -2.139 0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -7.659 0.962 2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.152 -0.462 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -9.141 2.642 1.910 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.929 1.914 0.370 1.00 0.00 H new ATOM 1637 N GLN A 110 -7.265 -4.867 4.089 1.00 0.00 N ATOM 1638 CA GLN A 110 -6.873 -6.317 3.943 1.00 0.00 C ATOM 1639 C GLN A 110 -8.053 -7.376 3.806 1.00 0.00 C ATOM 1640 O GLN A 110 -8.026 -8.094 2.801 1.00 0.00 O ATOM 1641 CB GLN A 110 -5.798 -6.684 5.008 1.00 0.00 C ATOM 1642 CG GLN A 110 -4.398 -6.009 4.867 1.00 0.00 C ATOM 1643 CD GLN A 110 -3.249 -6.940 4.442 1.00 0.00 C ATOM 1644 OE1 GLN A 110 -2.753 -6.912 3.322 1.00 0.00 O ATOM 1645 NE2 GLN A 110 -2.769 -7.779 5.323 1.00 0.00 N ATOM 0 H GLN A 110 -6.733 -4.371 4.804 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.429 -6.402 2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -6.197 -6.434 5.991 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.656 -7.765 4.987 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.476 -5.202 4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -4.137 -5.552 5.822 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -3.168 -7.818 6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.995 -8.395 5.072 1.00 0.00 H new ATOM 1654 N PRO A 111 -9.153 -7.450 4.634 1.00 0.00 N ATOM 1655 CA PRO A 111 -10.397 -8.223 4.289 1.00 0.00 C ATOM 1656 C PRO A 111 -11.116 -8.026 2.901 1.00 0.00 C ATOM 1657 O PRO A 111 -11.834 -8.920 2.454 1.00 0.00 O ATOM 1658 CB PRO A 111 -11.320 -7.884 5.478 1.00 0.00 C ATOM 1659 CG PRO A 111 -10.373 -7.599 6.643 1.00 0.00 C ATOM 1660 CD PRO A 111 -9.195 -6.870 5.992 1.00 0.00 C ATOM 0 HA PRO A 111 -10.120 -9.267 4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -11.946 -7.020 5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.990 -8.713 5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -10.851 -6.984 7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -10.052 -8.519 7.131 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -9.353 -5.792 5.965 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.265 -7.043 6.533 1.00 0.00 H new ATOM 1668 N HIS A 112 -10.950 -6.875 2.232 1.00 0.00 N ATOM 1669 CA HIS A 112 -11.351 -6.671 0.806 1.00 0.00 C ATOM 1670 C HIS A 112 -10.178 -6.611 -0.252 1.00 0.00 C ATOM 1671 O HIS A 112 -10.464 -6.354 -1.424 1.00 0.00 O ATOM 1672 CB HIS A 112 -12.235 -5.379 0.807 1.00 0.00 C ATOM 1673 CG HIS A 112 -13.183 -5.190 -0.386 1.00 0.00 C ATOM 1674 ND1 HIS A 112 -14.524 -5.549 -0.353 1.00 0.00 N ATOM 1675 CD2 HIS A 112 -12.860 -4.676 -1.665 1.00 0.00 C ATOM 1676 CE1 HIS A 112 -14.903 -5.263 -1.643 1.00 0.00 C ATOM 1677 NE2 HIS A 112 -13.973 -4.737 -2.501 1.00 0.00 N ATOM 0 H HIS A 112 -10.532 -6.046 2.656 1.00 0.00 H new ATOM 0 HA HIS A 112 -11.891 -7.552 0.460 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -12.832 -5.376 1.719 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.573 -4.514 0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -11.892 -4.292 -1.951 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -15.914 -5.449 -1.974 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -14.069 -4.466 -3.480 1.00 0.00 H new ATOM 1686 N LEU A 113 -8.894 -6.819 0.086 1.00 0.00 N ATOM 1687 CA LEU A 113 -7.773 -6.788 -0.902 1.00 0.00 C ATOM 1688 C LEU A 113 -7.395 -8.232 -1.305 1.00 0.00 C ATOM 1689 O LEU A 113 -6.840 -8.998 -0.515 1.00 0.00 O ATOM 1690 CB LEU A 113 -6.591 -5.946 -0.342 1.00 0.00 C ATOM 1691 CG LEU A 113 -6.550 -4.461 -0.799 1.00 0.00 C ATOM 1692 CD1 LEU A 113 -7.873 -3.704 -0.607 1.00 0.00 C ATOM 1693 CD2 LEU A 113 -5.460 -3.709 -0.041 1.00 0.00 C ATOM 0 H LEU A 113 -8.593 -7.013 1.041 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.080 -6.288 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.634 -5.972 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.656 -6.424 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.348 -4.496 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -7.757 -2.676 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -8.659 -4.193 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -8.143 -3.705 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.440 -2.670 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.667 -3.748 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.493 -4.171 -0.240 1.00 0.00 H new ATOM 1705 N ASP A 114 -7.748 -8.600 -2.536 1.00 0.00 N ATOM 1706 CA ASP A 114 -7.540 -9.974 -3.063 1.00 0.00 C ATOM 1707 C ASP A 114 -6.061 -10.294 -3.540 1.00 0.00 C ATOM 1708 O ASP A 114 -5.695 -11.469 -3.563 1.00 0.00 O ATOM 1709 CB ASP A 114 -8.688 -10.214 -4.095 1.00 0.00 C ATOM 1710 CG ASP A 114 -10.170 -10.242 -3.627 1.00 0.00 C ATOM 1711 OD1 ASP A 114 -10.543 -9.647 -2.592 1.00 0.00 O ATOM 1712 OD2 ASP A 114 -10.992 -10.865 -4.331 1.00 0.00 O ATOM 0 H ASP A 114 -8.186 -7.966 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.615 -10.718 -2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.605 -9.439 -4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.487 -11.166 -4.586 1.00 0.00 H new ATOM 1717 N ARG A 115 -5.184 -9.300 -3.823 1.00 0.00 N ATOM 1718 CA ARG A 115 -3.698 -9.502 -3.908 1.00 0.00 C ATOM 1719 C ARG A 115 -2.879 -8.782 -2.760 1.00 0.00 C ATOM 1720 O ARG A 115 -3.334 -7.821 -2.130 1.00 0.00 O ATOM 1721 CB ARG A 115 -3.211 -9.054 -5.320 1.00 0.00 C ATOM 1722 CG ARG A 115 -3.340 -10.099 -6.454 1.00 0.00 C ATOM 1723 CD ARG A 115 -2.553 -9.680 -7.720 1.00 0.00 C ATOM 1724 NE ARG A 115 -2.303 -10.837 -8.625 1.00 0.00 N ATOM 1725 CZ ARG A 115 -1.219 -11.613 -8.613 1.00 0.00 C ATOM 1726 NH1 ARG A 115 -0.157 -11.387 -7.898 1.00 0.00 N ATOM 1727 NH2 ARG A 115 -1.201 -12.663 -9.364 1.00 0.00 N ATOM 0 H ARG A 115 -5.474 -8.338 -3.999 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.504 -10.564 -3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.772 -8.165 -5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -2.164 -8.760 -5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -2.974 -11.063 -6.102 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.392 -10.231 -6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -3.110 -8.913 -8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.602 -9.236 -7.426 1.00 0.00 H new ATOM 0 HE ARG A 115 -3.024 -11.054 -9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -0.115 -10.568 -7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.634 -12.029 -7.943 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.006 -12.884 -9.950 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -0.382 -13.271 -9.371 1.00 0.00 H new ATOM 1741 N MET A 116 -1.610 -9.194 -2.534 1.00 0.00 N ATOM 1742 CA MET A 116 -0.634 -8.457 -1.662 1.00 0.00 C ATOM 1743 C MET A 116 0.755 -8.320 -2.383 1.00 0.00 C ATOM 1744 O MET A 116 1.235 -9.271 -3.008 1.00 0.00 O ATOM 1745 CB MET A 116 -0.482 -9.190 -0.296 1.00 0.00 C ATOM 1746 CG MET A 116 -0.007 -8.339 0.898 1.00 0.00 C ATOM 1747 SD MET A 116 0.621 -9.408 2.204 1.00 0.00 S ATOM 1748 CE MET A 116 0.777 -8.194 3.530 1.00 0.00 C ATOM 0 H MET A 116 -1.223 -10.044 -2.945 1.00 0.00 H new ATOM 0 HA MET A 116 -1.015 -7.453 -1.475 1.00 0.00 H new ATOM 0 HB2 MET A 116 -1.445 -9.631 -0.038 1.00 0.00 H new ATOM 0 HB3 MET A 116 0.220 -10.013 -0.428 1.00 0.00 H new ATOM 0 HG2 MET A 116 0.772 -7.648 0.576 1.00 0.00 H new ATOM 0 HG3 MET A 116 -0.832 -7.735 1.276 1.00 0.00 H new ATOM 0 HE1 MET A 116 1.157 -8.682 4.427 1.00 0.00 H new ATOM 0 HE2 MET A 116 1.468 -7.408 3.224 1.00 0.00 H new ATOM 0 HE3 MET A 116 -0.199 -7.757 3.740 1.00 0.00 H new ATOM 1758 N VAL A 117 1.419 -7.157 -2.286 1.00 0.00 N ATOM 1759 CA VAL A 117 2.815 -6.944 -2.810 1.00 0.00 C ATOM 1760 C VAL A 117 3.709 -6.217 -1.751 1.00 0.00 C ATOM 1761 O VAL A 117 3.997 -5.020 -1.887 1.00 0.00 O ATOM 1762 CB VAL A 117 2.847 -6.215 -4.210 1.00 0.00 C ATOM 1763 CG1 VAL A 117 2.340 -7.114 -5.340 1.00 0.00 C ATOM 1764 CG2 VAL A 117 2.162 -4.834 -4.298 1.00 0.00 C ATOM 0 H VAL A 117 1.021 -6.327 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 117 3.238 -7.934 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 117 3.910 -6.008 -4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.380 -6.570 -6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.967 -8.003 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.311 -7.410 -5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.257 -4.445 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.107 -4.935 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.639 -4.146 -3.599 1.00 0.00 H new ATOM 1774 N LEU A 118 4.176 -6.909 -0.694 1.00 0.00 N ATOM 1775 CA LEU A 118 5.104 -6.298 0.305 1.00 0.00 C ATOM 1776 C LEU A 118 6.605 -6.585 -0.040 1.00 0.00 C ATOM 1777 O LEU A 118 7.009 -7.710 -0.370 1.00 0.00 O ATOM 1778 CB LEU A 118 4.624 -6.511 1.776 1.00 0.00 C ATOM 1779 CG LEU A 118 4.978 -7.752 2.633 1.00 0.00 C ATOM 1780 CD1 LEU A 118 4.497 -9.054 1.990 1.00 0.00 C ATOM 1781 CD2 LEU A 118 6.464 -7.846 3.020 1.00 0.00 C ATOM 0 H LEU A 118 3.935 -7.881 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 118 5.060 -5.212 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.972 -5.644 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.536 -6.459 1.751 1.00 0.00 H new ATOM 0 HG LEU A 118 4.432 -7.608 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.768 -9.896 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.414 -9.023 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.966 -9.172 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.628 -8.742 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.073 -7.896 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.746 -6.966 3.599 1.00 0.00 H new ATOM 1793 N SER A 119 7.431 -5.528 0.034 1.00 0.00 N ATOM 1794 CA SER A 119 8.904 -5.638 -0.120 1.00 0.00 C ATOM 1795 C SER A 119 9.602 -5.756 1.267 1.00 0.00 C ATOM 1796 O SER A 119 9.723 -4.798 2.039 1.00 0.00 O ATOM 1797 CB SER A 119 9.385 -4.454 -0.984 1.00 0.00 C ATOM 1798 OG SER A 119 9.048 -4.693 -2.351 1.00 0.00 O ATOM 0 H SER A 119 7.106 -4.576 0.201 1.00 0.00 H new ATOM 0 HA SER A 119 9.182 -6.555 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.923 -3.528 -0.641 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.463 -4.329 -0.881 1.00 0.00 H new ATOM 0 HG SER A 119 9.352 -3.940 -2.899 1.00 0.00 H new ATOM 1804 N ARG A 120 10.036 -6.979 1.586 1.00 0.00 N ATOM 1805 CA ARG A 120 10.657 -7.326 2.889 1.00 0.00 C ATOM 1806 C ARG A 120 12.158 -6.880 2.915 1.00 0.00 C ATOM 1807 O ARG A 120 12.952 -7.405 2.134 1.00 0.00 O ATOM 1808 CB ARG A 120 10.400 -8.853 3.028 1.00 0.00 C ATOM 1809 CG ARG A 120 10.905 -9.528 4.326 1.00 0.00 C ATOM 1810 CD ARG A 120 10.726 -11.062 4.371 1.00 0.00 C ATOM 1811 NE ARG A 120 9.284 -11.452 4.461 1.00 0.00 N ATOM 1812 CZ ARG A 120 8.809 -12.559 5.018 1.00 0.00 C ATOM 1813 NH1 ARG A 120 9.564 -13.490 5.527 1.00 0.00 N ATOM 1814 NH2 ARG A 120 7.527 -12.725 5.063 1.00 0.00 N ATOM 0 H ARG A 120 9.970 -7.771 0.947 1.00 0.00 H new ATOM 0 HA ARG A 120 10.238 -6.808 3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 120 9.327 -9.026 2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 120 10.866 -9.355 2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 120 11.963 -9.296 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 120 10.380 -9.090 5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 120 11.167 -11.506 3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 120 11.266 -11.466 5.228 1.00 0.00 H new ATOM 0 HE ARG A 120 8.604 -10.808 4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.579 -13.389 5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 120 9.140 -14.320 5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 120 6.907 -12.014 4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 120 7.136 -13.567 5.486 1.00 0.00 H new ATOM 1828 N VAL A 121 12.539 -5.898 3.753 1.00 0.00 N ATOM 1829 CA VAL A 121 13.872 -5.213 3.658 1.00 0.00 C ATOM 1830 C VAL A 121 14.789 -5.678 4.855 1.00 0.00 C ATOM 1831 O VAL A 121 14.657 -5.117 5.950 1.00 0.00 O ATOM 1832 CB VAL A 121 13.720 -3.650 3.564 1.00 0.00 C ATOM 1833 CG1 VAL A 121 15.054 -2.959 3.203 1.00 0.00 C ATOM 1834 CG2 VAL A 121 12.654 -3.141 2.559 1.00 0.00 C ATOM 0 H VAL A 121 11.951 -5.550 4.510 1.00 0.00 H new ATOM 0 HA VAL A 121 14.363 -5.508 2.731 1.00 0.00 H new ATOM 0 HB VAL A 121 13.387 -3.384 4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 121 14.902 -1.881 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 121 15.798 -3.183 3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 121 15.404 -3.325 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 121 12.631 -2.051 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 121 12.906 -3.486 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.675 -3.528 2.840 1.00 0.00 H new ATOM 1844 N PRO A 122 15.703 -6.692 4.741 1.00 0.00 N ATOM 1845 CA PRO A 122 16.385 -7.278 5.931 1.00 0.00 C ATOM 1846 C PRO A 122 17.705 -6.557 6.371 1.00 0.00 C ATOM 1847 O PRO A 122 18.586 -6.265 5.555 1.00 0.00 O ATOM 1848 CB PRO A 122 16.618 -8.721 5.426 1.00 0.00 C ATOM 1849 CG PRO A 122 16.885 -8.575 3.925 1.00 0.00 C ATOM 1850 CD PRO A 122 15.896 -7.489 3.508 1.00 0.00 C ATOM 0 HA PRO A 122 15.803 -7.191 6.848 1.00 0.00 H new ATOM 0 HB2 PRO A 122 17.463 -9.186 5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 122 15.748 -9.350 5.613 1.00 0.00 H new ATOM 0 HG2 PRO A 122 17.916 -8.282 3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 122 16.709 -9.509 3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 122 16.291 -6.879 2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 122 14.957 -7.917 3.158 1.00 0.00 H new ATOM 1935 N THR A 129 4.248 2.087 13.520 1.00 0.00 N ATOM 1936 CA THR A 129 3.003 1.269 13.747 1.00 0.00 C ATOM 1937 C THR A 129 3.228 -0.284 13.616 1.00 0.00 C ATOM 1938 O THR A 129 4.245 -0.742 13.093 1.00 0.00 O ATOM 1939 CB THR A 129 1.849 1.763 12.811 1.00 0.00 C ATOM 1940 OG1 THR A 129 2.192 1.608 11.439 1.00 0.00 O ATOM 1941 CG2 THR A 129 1.403 3.221 13.008 1.00 0.00 C ATOM 0 HA THR A 129 2.713 1.429 14.786 1.00 0.00 H new ATOM 0 HB THR A 129 1.013 1.126 13.101 1.00 0.00 H new ATOM 0 HG1 THR A 129 3.161 1.703 11.331 1.00 0.00 H new ATOM 0 HG21 THR A 129 0.600 3.454 12.308 1.00 0.00 H new ATOM 0 HG22 THR A 129 1.045 3.357 14.029 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.247 3.887 12.827 1.00 0.00 H new ATOM 1949 N TYR A 130 2.271 -1.112 14.078 1.00 0.00 N ATOM 1950 CA TYR A 130 2.364 -2.607 13.988 1.00 0.00 C ATOM 1951 C TYR A 130 1.350 -3.218 12.957 1.00 0.00 C ATOM 1952 O TYR A 130 0.364 -2.574 12.583 1.00 0.00 O ATOM 1953 CB TYR A 130 2.176 -3.229 15.407 1.00 0.00 C ATOM 1954 CG TYR A 130 3.164 -2.778 16.501 1.00 0.00 C ATOM 1955 CD1 TYR A 130 4.544 -2.944 16.339 1.00 0.00 C ATOM 1956 CD2 TYR A 130 2.683 -2.126 17.640 1.00 0.00 C ATOM 1957 CE1 TYR A 130 5.431 -2.457 17.297 1.00 0.00 C ATOM 1958 CE2 TYR A 130 3.569 -1.629 18.593 1.00 0.00 C ATOM 1959 CZ TYR A 130 4.941 -1.792 18.418 1.00 0.00 C ATOM 1960 OH TYR A 130 5.811 -1.275 19.337 1.00 0.00 O ATOM 0 H TYR A 130 1.414 -0.781 14.522 1.00 0.00 H new ATOM 0 HA TYR A 130 3.357 -2.857 13.614 1.00 0.00 H new ATOM 0 HB2 TYR A 130 1.166 -3.001 15.747 1.00 0.00 H new ATOM 0 HB3 TYR A 130 2.244 -4.313 15.314 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.924 -3.453 15.466 1.00 0.00 H new ATOM 0 HD2 TYR A 130 1.619 -2.007 17.782 1.00 0.00 H new ATOM 0 HE1 TYR A 130 6.495 -2.595 17.171 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.192 -1.118 19.467 1.00 0.00 H new ATOM 0 HH TYR A 130 5.307 -0.842 20.057 1.00 0.00 H new ATOM 1970 N TYR A 131 1.537 -4.491 12.541 1.00 0.00 N ATOM 1971 CA TYR A 131 0.476 -5.245 11.797 1.00 0.00 C ATOM 1972 C TYR A 131 -0.890 -5.412 12.577 1.00 0.00 C ATOM 1973 O TYR A 131 -0.828 -5.610 13.797 1.00 0.00 O ATOM 1974 CB TYR A 131 1.004 -6.636 11.333 1.00 0.00 C ATOM 1975 CG TYR A 131 1.706 -6.736 9.966 1.00 0.00 C ATOM 1976 CD1 TYR A 131 1.117 -6.231 8.797 1.00 0.00 C ATOM 1977 CD2 TYR A 131 2.873 -7.498 9.861 1.00 0.00 C ATOM 1978 CE1 TYR A 131 1.699 -6.469 7.553 1.00 0.00 C ATOM 1979 CE2 TYR A 131 3.454 -7.734 8.619 1.00 0.00 C ATOM 1980 CZ TYR A 131 2.861 -7.227 7.467 1.00 0.00 C ATOM 1981 OH TYR A 131 3.406 -7.499 6.244 1.00 0.00 O ATOM 0 H TYR A 131 2.395 -5.020 12.699 1.00 0.00 H new ATOM 0 HA TYR A 131 0.247 -4.625 10.931 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.700 -6.996 12.090 1.00 0.00 H new ATOM 0 HB3 TYR A 131 0.159 -7.325 11.323 1.00 0.00 H new ATOM 0 HD1 TYR A 131 0.206 -5.654 8.861 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.327 -7.907 10.751 1.00 0.00 H new ATOM 0 HE1 TYR A 131 1.248 -6.066 6.658 1.00 0.00 H new ATOM 0 HE2 TYR A 131 4.365 -8.310 8.549 1.00 0.00 H new ATOM 0 HH TYR A 131 4.216 -8.038 6.359 1.00 0.00 H new ATOM 1991 N PRO A 132 -2.116 -5.367 11.959 1.00 0.00 N ATOM 1992 CA PRO A 132 -3.395 -5.519 12.698 1.00 0.00 C ATOM 1993 C PRO A 132 -3.749 -7.021 12.986 1.00 0.00 C ATOM 1994 O PRO A 132 -3.227 -7.606 13.937 1.00 0.00 O ATOM 1995 CB PRO A 132 -4.360 -4.663 11.829 1.00 0.00 C ATOM 1996 CG PRO A 132 -3.647 -4.362 10.500 1.00 0.00 C ATOM 1997 CD PRO A 132 -2.336 -5.143 10.519 1.00 0.00 C ATOM 0 HA PRO A 132 -3.413 -5.160 13.727 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -5.292 -5.199 11.650 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -4.619 -3.737 12.343 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -4.264 -4.662 9.653 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -3.459 -3.293 10.395 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.415 -6.081 9.970 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.521 -4.578 10.068 1.00 0.00 H new ATOM 2005 N GLU A 133 -4.598 -7.640 12.154 1.00 0.00 N ATOM 2006 CA GLU A 133 -5.069 -9.043 12.342 1.00 0.00 C ATOM 2007 C GLU A 133 -4.944 -9.887 11.009 1.00 0.00 C ATOM 2008 O GLU A 133 -5.892 -10.541 10.562 1.00 0.00 O ATOM 2009 CB GLU A 133 -6.460 -8.949 13.052 1.00 0.00 C ATOM 2010 CG GLU A 133 -7.682 -8.448 12.217 1.00 0.00 C ATOM 2011 CD GLU A 133 -8.833 -7.739 12.934 1.00 0.00 C ATOM 2012 OE1 GLU A 133 -8.901 -7.719 14.181 1.00 0.00 O ATOM 2013 OE2 GLU A 133 -9.679 -7.161 12.220 1.00 0.00 O ATOM 0 H GLU A 133 -4.986 -7.190 11.325 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.437 -9.640 12.999 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -6.704 -9.938 13.439 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -6.351 -8.288 13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -7.302 -7.769 11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -8.100 -9.310 11.697 1.00 0.00 H new ATOM 2020 N TRP A 134 -3.749 -9.874 10.381 1.00 0.00 N ATOM 2021 CA TRP A 134 -3.507 -10.479 9.036 1.00 0.00 C ATOM 2022 C TRP A 134 -3.471 -12.047 8.976 1.00 0.00 C ATOM 2023 O TRP A 134 -3.042 -12.725 9.928 1.00 0.00 O ATOM 2024 CB TRP A 134 -2.269 -9.768 8.390 1.00 0.00 C ATOM 2025 CG TRP A 134 -0.852 -10.365 8.585 1.00 0.00 C ATOM 2026 CD1 TRP A 134 -0.134 -11.049 7.580 1.00 0.00 C ATOM 2027 CD2 TRP A 134 -0.058 -10.440 9.721 1.00 0.00 C ATOM 2028 NE1 TRP A 134 1.105 -11.531 8.052 1.00 0.00 N ATOM 2029 CE2 TRP A 134 1.114 -11.169 9.387 1.00 0.00 C ATOM 2030 CE3 TRP A 134 -0.291 -10.045 11.063 1.00 0.00 C ATOM 2031 CZ2 TRP A 134 2.049 -11.514 10.392 1.00 0.00 C ATOM 2032 CZ3 TRP A 134 0.649 -10.386 12.035 1.00 0.00 C ATOM 2033 CH2 TRP A 134 1.801 -11.108 11.706 1.00 0.00 C ATOM 0 H TRP A 134 -2.917 -9.445 10.786 1.00 0.00 H new ATOM 0 HA TRP A 134 -4.390 -10.288 8.426 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -2.452 -9.707 7.317 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -2.247 -8.746 8.768 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -0.491 -11.187 6.570 1.00 0.00 H new ATOM 0 HE1 TRP A 134 1.826 -12.030 7.531 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -1.179 -9.491 11.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 2.936 -12.080 10.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 0.485 -10.087 13.060 1.00 0.00 H new ATOM 0 HH2 TRP A 134 2.511 -11.356 12.481 1.00 0.00 H new ATOM 2044 N ASP A 135 -3.897 -12.596 7.837 1.00 0.00 N ATOM 2045 CA ASP A 135 -4.253 -14.041 7.724 1.00 0.00 C ATOM 2046 C ASP A 135 -3.006 -14.982 7.567 1.00 0.00 C ATOM 2047 O ASP A 135 -2.457 -15.163 6.476 1.00 0.00 O ATOM 2048 CB ASP A 135 -5.263 -14.169 6.548 1.00 0.00 C ATOM 2049 CG ASP A 135 -6.542 -13.329 6.605 1.00 0.00 C ATOM 2050 OD1 ASP A 135 -6.454 -12.103 6.353 1.00 0.00 O ATOM 2051 OD2 ASP A 135 -7.622 -13.871 6.915 1.00 0.00 O ATOM 0 H ASP A 135 -4.009 -12.073 6.969 1.00 0.00 H new ATOM 0 HA ASP A 135 -4.710 -14.382 8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -4.738 -13.915 5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -5.554 -15.216 6.470 1.00 0.00 H new ATOM 2056 N ALA A 136 -2.585 -15.606 8.678 1.00 0.00 N ATOM 2057 CA ALA A 136 -1.399 -16.522 8.663 1.00 0.00 C ATOM 2058 C ALA A 136 -1.534 -17.955 8.019 1.00 0.00 C ATOM 2059 O ALA A 136 -0.499 -18.586 7.765 1.00 0.00 O ATOM 2060 CB ALA A 136 -0.921 -16.607 10.128 1.00 0.00 C ATOM 0 H ALA A 136 -3.029 -15.506 9.591 1.00 0.00 H new ATOM 0 HA ALA A 136 -0.685 -16.078 7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -0.053 -17.263 10.190 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.649 -15.612 10.480 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.723 -17.006 10.750 1.00 0.00 H new ATOM 2066 N ALA A 137 -2.757 -18.470 7.769 1.00 0.00 N ATOM 2067 CA ALA A 137 -2.989 -19.592 6.815 1.00 0.00 C ATOM 2068 C ALA A 137 -3.743 -19.187 5.503 1.00 0.00 C ATOM 2069 O ALA A 137 -3.339 -19.649 4.434 1.00 0.00 O ATOM 2070 CB ALA A 137 -3.712 -20.736 7.560 1.00 0.00 C ATOM 0 H ALA A 137 -3.608 -18.128 8.215 1.00 0.00 H new ATOM 0 HA ALA A 137 -2.012 -19.925 6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -3.888 -21.564 6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -3.093 -21.078 8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.666 -20.374 7.944 1.00 0.00 H new ATOM 2076 N GLU A 138 -4.786 -18.337 5.549 1.00 0.00 N ATOM 2077 CA GLU A 138 -5.594 -17.945 4.346 1.00 0.00 C ATOM 2078 C GLU A 138 -4.984 -16.869 3.359 1.00 0.00 C ATOM 2079 O GLU A 138 -5.650 -16.477 2.401 1.00 0.00 O ATOM 2080 CB GLU A 138 -6.993 -17.523 4.887 1.00 0.00 C ATOM 2081 CG GLU A 138 -7.866 -18.605 5.606 1.00 0.00 C ATOM 2082 CD GLU A 138 -8.710 -19.564 4.790 1.00 0.00 C ATOM 2083 OE1 GLU A 138 -9.551 -19.093 3.997 1.00 0.00 O ATOM 2084 OE2 GLU A 138 -8.603 -20.790 5.012 1.00 0.00 O ATOM 0 H GLU A 138 -5.103 -17.896 6.412 1.00 0.00 H new ATOM 0 HA GLU A 138 -5.627 -18.812 3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -6.845 -16.698 5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -7.570 -17.133 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -7.196 -19.206 6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -8.537 -18.080 6.286 1.00 0.00 H new ATOM 2091 N TRP A 139 -3.716 -16.434 3.518 1.00 0.00 N ATOM 2092 CA TRP A 139 -2.954 -15.761 2.432 1.00 0.00 C ATOM 2093 C TRP A 139 -2.092 -16.806 1.625 1.00 0.00 C ATOM 2094 O TRP A 139 -1.033 -17.247 2.089 1.00 0.00 O ATOM 2095 CB TRP A 139 -2.092 -14.589 3.024 1.00 0.00 C ATOM 2096 CG TRP A 139 -2.709 -13.182 3.021 1.00 0.00 C ATOM 2097 CD1 TRP A 139 -3.058 -12.428 4.150 1.00 0.00 C ATOM 2098 CD2 TRP A 139 -3.035 -12.393 1.933 1.00 0.00 C ATOM 2099 NE1 TRP A 139 -3.652 -11.194 3.814 1.00 0.00 N ATOM 2100 CE2 TRP A 139 -3.634 -11.200 2.428 1.00 0.00 C ATOM 2101 CE3 TRP A 139 -2.940 -12.621 0.539 1.00 0.00 C ATOM 2102 CZ2 TRP A 139 -4.135 -10.230 1.531 1.00 0.00 C ATOM 2103 CZ3 TRP A 139 -3.449 -11.653 -0.329 1.00 0.00 C ATOM 2104 CH2 TRP A 139 -4.043 -10.484 0.164 1.00 0.00 C ATOM 0 H TRP A 139 -3.193 -16.535 4.388 1.00 0.00 H new ATOM 0 HA TRP A 139 -3.652 -15.320 1.720 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.840 -14.844 4.054 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.155 -14.547 2.468 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -2.890 -12.756 5.165 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -4.009 -10.472 4.440 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -2.485 -13.522 0.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.578 -9.315 1.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -3.384 -11.808 -1.396 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -4.440 -9.761 -0.533 1.00 0.00 H new ATOM 2115 N GLU A 140 -2.517 -17.160 0.399 1.00 0.00 N ATOM 2116 CA GLU A 140 -1.699 -17.978 -0.555 1.00 0.00 C ATOM 2117 C GLU A 140 -0.590 -17.146 -1.283 1.00 0.00 C ATOM 2118 O GLU A 140 -0.787 -15.977 -1.638 1.00 0.00 O ATOM 2119 CB GLU A 140 -2.641 -18.656 -1.590 1.00 0.00 C ATOM 2120 CG GLU A 140 -3.455 -19.883 -1.072 1.00 0.00 C ATOM 2121 CD GLU A 140 -2.763 -21.231 -1.221 1.00 0.00 C ATOM 2122 OE1 GLU A 140 -1.706 -21.449 -0.589 1.00 0.00 O ATOM 2123 OE2 GLU A 140 -3.284 -22.080 -1.977 1.00 0.00 O ATOM 0 H GLU A 140 -3.430 -16.896 0.030 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.176 -18.735 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.343 -17.908 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.042 -18.976 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.687 -19.726 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.405 -19.920 -1.605 1.00 0.00 H new ATOM 2130 N LEU A 141 0.571 -17.761 -1.521 1.00 0.00 N ATOM 2131 CA LEU A 141 1.715 -17.113 -2.230 1.00 0.00 C ATOM 2132 C LEU A 141 1.649 -17.369 -3.785 1.00 0.00 C ATOM 2133 O LEU A 141 1.569 -18.514 -4.244 1.00 0.00 O ATOM 2134 CB LEU A 141 3.046 -17.621 -1.591 1.00 0.00 C ATOM 2135 CG LEU A 141 3.294 -17.289 -0.083 1.00 0.00 C ATOM 2136 CD1 LEU A 141 3.182 -18.532 0.821 1.00 0.00 C ATOM 2137 CD2 LEU A 141 4.629 -16.562 0.155 1.00 0.00 C ATOM 0 H LEU A 141 0.760 -18.721 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 141 1.662 -16.031 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.084 -18.704 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 141 3.875 -17.209 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 141 2.495 -16.603 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 141 3.363 -18.246 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 141 2.183 -18.958 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 141 3.921 -19.272 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.747 -16.357 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.451 -17.190 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 141 4.635 -15.623 -0.398 1.00 0.00 H new ATOM 2149 N ASP A 142 1.704 -16.295 -4.595 1.00 0.00 N ATOM 2150 CA ASP A 142 1.819 -16.365 -6.085 1.00 0.00 C ATOM 2151 C ASP A 142 3.331 -16.498 -6.485 1.00 0.00 C ATOM 2152 O ASP A 142 3.749 -17.561 -6.957 1.00 0.00 O ATOM 2153 CB ASP A 142 1.038 -15.120 -6.616 1.00 0.00 C ATOM 2154 CG ASP A 142 0.965 -14.821 -8.113 1.00 0.00 C ATOM 2155 OD1 ASP A 142 0.483 -15.644 -8.914 1.00 0.00 O ATOM 2156 OD2 ASP A 142 1.275 -13.672 -8.485 1.00 0.00 O ATOM 0 H ASP A 142 1.670 -15.339 -4.241 1.00 0.00 H new ATOM 0 HA ASP A 142 1.371 -17.244 -6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 142 0.013 -15.208 -6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 142 1.470 -14.242 -6.135 1.00 0.00 H new ATOM 2161 N ALA A 143 4.170 -15.464 -6.256 1.00 0.00 N ATOM 2162 CA ALA A 143 5.588 -15.462 -6.705 1.00 0.00 C ATOM 2163 C ALA A 143 6.556 -14.652 -5.771 1.00 0.00 C ATOM 2164 O ALA A 143 6.616 -13.420 -5.841 1.00 0.00 O ATOM 2165 CB ALA A 143 5.557 -14.922 -8.153 1.00 0.00 C ATOM 0 H ALA A 143 3.893 -14.616 -5.762 1.00 0.00 H new ATOM 0 HA ALA A 143 6.004 -16.468 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 143 6.571 -14.892 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 143 4.943 -15.576 -8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 143 5.135 -13.917 -8.158 1.00 0.00 H new ATOM 2171 N GLU A 144 7.378 -15.325 -4.937 1.00 0.00 N ATOM 2172 CA GLU A 144 8.507 -14.659 -4.216 1.00 0.00 C ATOM 2173 C GLU A 144 9.797 -14.542 -5.110 1.00 0.00 C ATOM 2174 O GLU A 144 10.208 -15.483 -5.795 1.00 0.00 O ATOM 2175 CB GLU A 144 8.725 -15.288 -2.809 1.00 0.00 C ATOM 2176 CG GLU A 144 9.643 -14.458 -1.852 1.00 0.00 C ATOM 2177 CD GLU A 144 9.577 -14.719 -0.354 1.00 0.00 C ATOM 2178 OE1 GLU A 144 8.917 -15.673 0.108 1.00 0.00 O ATOM 2179 OE2 GLU A 144 10.157 -13.905 0.393 1.00 0.00 O ATOM 0 H GLU A 144 7.290 -16.322 -4.741 1.00 0.00 H new ATOM 0 HA GLU A 144 8.233 -13.622 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 144 7.754 -15.421 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 144 9.158 -16.281 -2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 144 10.674 -14.615 -2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 144 9.417 -13.404 -2.012 1.00 0.00 H new ATOM 2186 N THR A 145 10.408 -13.349 -5.125 1.00 0.00 N ATOM 2187 CA THR A 145 11.621 -13.038 -5.945 1.00 0.00 C ATOM 2188 C THR A 145 12.733 -12.439 -5.020 1.00 0.00 C ATOM 2189 O THR A 145 12.691 -11.264 -4.631 1.00 0.00 O ATOM 2190 CB THR A 145 11.285 -12.108 -7.156 1.00 0.00 C ATOM 2191 OG1 THR A 145 10.632 -10.915 -6.744 1.00 0.00 O ATOM 2192 CG2 THR A 145 10.389 -12.740 -8.230 1.00 0.00 C ATOM 0 H THR A 145 10.084 -12.557 -4.570 1.00 0.00 H new ATOM 0 HA THR A 145 11.999 -13.962 -6.382 1.00 0.00 H new ATOM 0 HB THR A 145 12.266 -11.910 -7.588 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.103 -10.533 -5.974 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.213 -12.018 -9.028 1.00 0.00 H new ATOM 0 HG22 THR A 145 10.880 -13.622 -8.641 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.437 -13.029 -7.785 1.00 0.00 H new ATOM 2200 N ASP A 146 13.758 -13.247 -4.699 1.00 0.00 N ATOM 2201 CA ASP A 146 14.912 -12.831 -3.857 1.00 0.00 C ATOM 2202 C ASP A 146 15.898 -11.814 -4.540 1.00 0.00 C ATOM 2203 O ASP A 146 16.024 -11.747 -5.769 1.00 0.00 O ATOM 2204 CB ASP A 146 15.591 -14.114 -3.292 1.00 0.00 C ATOM 2205 CG ASP A 146 16.520 -14.886 -4.235 1.00 0.00 C ATOM 2206 OD1 ASP A 146 16.023 -15.570 -5.153 1.00 0.00 O ATOM 2207 OD2 ASP A 146 17.754 -14.795 -4.057 1.00 0.00 O ATOM 0 H ASP A 146 13.817 -14.215 -5.015 1.00 0.00 H new ATOM 0 HA ASP A 146 14.537 -12.235 -3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 146 16.164 -13.832 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 146 14.806 -14.793 -2.959 1.00 0.00 H new ATOM 2212 N HIS A 147 16.536 -10.947 -3.734 1.00 0.00 N ATOM 2213 CA HIS A 147 17.481 -9.908 -4.234 1.00 0.00 C ATOM 2214 C HIS A 147 18.561 -9.531 -3.162 1.00 0.00 C ATOM 2215 O HIS A 147 18.343 -9.639 -1.951 1.00 0.00 O ATOM 2216 CB HIS A 147 16.716 -8.616 -4.679 1.00 0.00 C ATOM 2217 CG HIS A 147 15.640 -8.763 -5.763 1.00 0.00 C ATOM 2218 ND1 HIS A 147 14.298 -8.865 -5.457 1.00 0.00 N ATOM 2219 CD2 HIS A 147 15.846 -9.089 -7.118 1.00 0.00 C ATOM 2220 CE1 HIS A 147 13.793 -9.329 -6.641 1.00 0.00 C ATOM 2221 NE2 HIS A 147 14.639 -9.462 -7.717 1.00 0.00 N ATOM 0 H HIS A 147 16.418 -10.939 -2.721 1.00 0.00 H new ATOM 0 HA HIS A 147 17.989 -10.340 -5.096 1.00 0.00 H new ATOM 0 HB2 HIS A 147 16.246 -8.184 -3.796 1.00 0.00 H new ATOM 0 HB3 HIS A 147 17.453 -7.895 -5.033 1.00 0.00 H new ATOM 0 HD2 HIS A 147 16.800 -9.056 -7.622 1.00 0.00 H new ATOM 0 HE1 HIS A 147 12.748 -9.586 -6.729 1.00 0.00 H new ATOM 0 HE2 HIS A 147 14.443 -9.750 -8.676 1.00 0.00 H new ATOM 2230 N GLU A 148 19.673 -8.947 -3.634 1.00 0.00 N ATOM 2231 CA GLU A 148 20.736 -8.307 -2.797 1.00 0.00 C ATOM 2232 C GLU A 148 20.387 -7.385 -1.569 1.00 0.00 C ATOM 2233 O GLU A 148 21.140 -7.371 -0.592 1.00 0.00 O ATOM 2234 CB GLU A 148 21.677 -7.620 -3.830 1.00 0.00 C ATOM 2235 CG GLU A 148 21.096 -6.414 -4.636 1.00 0.00 C ATOM 2236 CD GLU A 148 21.769 -6.067 -5.950 1.00 0.00 C ATOM 2237 OE1 GLU A 148 21.796 -6.925 -6.857 1.00 0.00 O ATOM 2238 OE2 GLU A 148 22.180 -4.903 -6.116 1.00 0.00 O ATOM 0 H GLU A 148 19.876 -8.898 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 148 21.175 -9.109 -2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 148 22.565 -7.275 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 148 22.005 -8.376 -4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 148 20.045 -6.619 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 148 21.131 -5.532 -3.996 1.00 0.00 H new ATOM 2245 N GLY A 149 19.251 -6.667 -1.571 1.00 0.00 N ATOM 2246 CA GLY A 149 18.653 -6.154 -0.304 1.00 0.00 C ATOM 2247 C GLY A 149 17.126 -5.896 -0.300 1.00 0.00 C ATOM 2248 O GLY A 149 16.684 -4.903 0.277 1.00 0.00 O ATOM 0 H GLY A 149 18.729 -6.426 -2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 149 18.878 -6.867 0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 149 19.155 -5.221 -0.046 1.00 0.00 H new ATOM 2252 N PHE A 150 16.321 -6.797 -0.890 1.00 0.00 N ATOM 2253 CA PHE A 150 14.837 -6.820 -0.713 1.00 0.00 C ATOM 2254 C PHE A 150 14.255 -8.209 -1.146 1.00 0.00 C ATOM 2255 O PHE A 150 14.696 -8.817 -2.125 1.00 0.00 O ATOM 2256 CB PHE A 150 14.088 -5.608 -1.364 1.00 0.00 C ATOM 2257 CG PHE A 150 13.710 -5.637 -2.862 1.00 0.00 C ATOM 2258 CD1 PHE A 150 14.701 -5.666 -3.846 1.00 0.00 C ATOM 2259 CD2 PHE A 150 12.368 -5.596 -3.249 1.00 0.00 C ATOM 2260 CE1 PHE A 150 14.355 -5.640 -5.195 1.00 0.00 C ATOM 2261 CE2 PHE A 150 12.022 -5.565 -4.599 1.00 0.00 C ATOM 2262 CZ PHE A 150 13.014 -5.595 -5.571 1.00 0.00 C ATOM 0 H PHE A 150 16.669 -7.533 -1.504 1.00 0.00 H new ATOM 0 HA PHE A 150 14.649 -6.692 0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 150 13.166 -5.459 -0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 150 14.705 -4.724 -1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 150 15.741 -5.709 -3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 150 11.593 -5.588 -2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 150 15.127 -5.655 -5.950 1.00 0.00 H new ATOM 0 HE2 PHE A 150 10.983 -5.518 -4.889 1.00 0.00 H new ATOM 0 HZ PHE A 150 12.746 -5.583 -6.617 1.00 0.00 H new ATOM 2272 N THR A 151 13.211 -8.677 -0.464 1.00 0.00 N ATOM 2273 CA THR A 151 12.386 -9.832 -0.928 1.00 0.00 C ATOM 2274 C THR A 151 10.978 -9.289 -1.330 1.00 0.00 C ATOM 2275 O THR A 151 10.123 -9.049 -0.472 1.00 0.00 O ATOM 2276 CB THR A 151 12.358 -11.002 0.121 1.00 0.00 C ATOM 2277 OG1 THR A 151 12.716 -10.607 1.443 1.00 0.00 O ATOM 2278 CG2 THR A 151 13.324 -12.138 -0.223 1.00 0.00 C ATOM 0 H THR A 151 12.900 -8.281 0.423 1.00 0.00 H new ATOM 0 HA THR A 151 12.834 -10.292 -1.809 1.00 0.00 H new ATOM 0 HB THR A 151 11.318 -11.325 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 151 12.830 -11.403 2.003 1.00 0.00 H new ATOM 0 HG21 THR A 151 13.258 -12.915 0.539 1.00 0.00 H new ATOM 0 HG22 THR A 151 13.061 -12.558 -1.194 1.00 0.00 H new ATOM 0 HG23 THR A 151 14.342 -11.751 -0.259 1.00 0.00 H new ATOM 2286 N LEU A 152 10.721 -9.092 -2.644 1.00 0.00 N ATOM 2287 CA LEU A 152 9.319 -8.950 -3.149 1.00 0.00 C ATOM 2288 C LEU A 152 8.600 -10.324 -3.072 1.00 0.00 C ATOM 2289 O LEU A 152 9.007 -11.280 -3.739 1.00 0.00 O ATOM 2290 CB LEU A 152 9.274 -8.346 -4.585 1.00 0.00 C ATOM 2291 CG LEU A 152 7.904 -8.227 -5.329 1.00 0.00 C ATOM 2292 CD1 LEU A 152 7.448 -9.521 -6.042 1.00 0.00 C ATOM 2293 CD2 LEU A 152 6.750 -7.651 -4.479 1.00 0.00 C ATOM 0 H LEU A 152 11.440 -9.028 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 152 8.788 -8.243 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 152 9.705 -7.346 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 152 9.935 -8.945 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 152 8.130 -7.490 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 152 6.489 -9.348 -6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 152 8.190 -9.806 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 152 7.343 -10.322 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.842 -7.607 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 152 6.581 -8.291 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 152 7.011 -6.648 -4.143 1.00 0.00 H new ATOM 2305 N GLN A 153 7.531 -10.373 -2.282 1.00 0.00 N ATOM 2306 CA GLN A 153 6.596 -11.521 -2.253 1.00 0.00 C ATOM 2307 C GLN A 153 5.218 -11.083 -2.849 1.00 0.00 C ATOM 2308 O GLN A 153 4.538 -10.212 -2.289 1.00 0.00 O ATOM 2309 CB GLN A 153 6.481 -12.166 -0.837 1.00 0.00 C ATOM 2310 CG GLN A 153 7.428 -11.749 0.330 1.00 0.00 C ATOM 2311 CD GLN A 153 7.045 -12.377 1.665 1.00 0.00 C ATOM 2312 OE1 GLN A 153 6.523 -11.737 2.576 1.00 0.00 O ATOM 2313 NE2 GLN A 153 7.290 -13.646 1.836 1.00 0.00 N ATOM 0 H GLN A 153 7.278 -9.623 -1.639 1.00 0.00 H new ATOM 0 HA GLN A 153 6.997 -12.316 -2.881 1.00 0.00 H new ATOM 0 HB2 GLN A 153 5.461 -11.995 -0.493 1.00 0.00 H new ATOM 0 HB3 GLN A 153 6.596 -13.242 -0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 153 8.450 -12.035 0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 153 7.416 -10.664 0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 153 7.723 -14.187 1.088 1.00 0.00 H new ATOM 0 HE22 GLN A 153 7.049 -14.098 2.718 1.00 0.00 H new ATOM 2322 N GLU A 154 4.828 -11.691 -3.981 1.00 0.00 N ATOM 2323 CA GLU A 154 3.451 -11.590 -4.539 1.00 0.00 C ATOM 2324 C GLU A 154 2.499 -12.676 -3.931 1.00 0.00 C ATOM 2325 O GLU A 154 2.882 -13.832 -3.711 1.00 0.00 O ATOM 2326 CB GLU A 154 3.559 -11.608 -6.103 1.00 0.00 C ATOM 2327 CG GLU A 154 3.468 -10.166 -6.663 1.00 0.00 C ATOM 2328 CD GLU A 154 3.588 -9.851 -8.138 1.00 0.00 C ATOM 2329 OE1 GLU A 154 2.567 -9.951 -8.850 1.00 0.00 O ATOM 2330 OE2 GLU A 154 4.650 -9.340 -8.558 1.00 0.00 O ATOM 0 H GLU A 154 5.452 -12.270 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 154 2.981 -10.649 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 154 4.502 -12.064 -6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 154 2.761 -12.220 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 154 2.508 -9.767 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 154 4.242 -9.587 -6.158 1.00 0.00 H new ATOM 2337 N TRP A 155 1.260 -12.278 -3.613 1.00 0.00 N ATOM 2338 CA TRP A 155 0.267 -13.153 -2.918 1.00 0.00 C ATOM 2339 C TRP A 155 -1.160 -13.024 -3.566 1.00 0.00 C ATOM 2340 O TRP A 155 -1.509 -11.993 -4.145 1.00 0.00 O ATOM 2341 CB TRP A 155 0.189 -12.806 -1.403 1.00 0.00 C ATOM 2342 CG TRP A 155 1.453 -12.749 -0.517 1.00 0.00 C ATOM 2343 CD1 TRP A 155 2.361 -11.672 -0.500 1.00 0.00 C ATOM 2344 CD2 TRP A 155 1.745 -13.472 0.633 1.00 0.00 C ATOM 2345 NE1 TRP A 155 3.184 -11.681 0.637 1.00 0.00 N ATOM 2346 CE2 TRP A 155 2.789 -12.803 1.322 1.00 0.00 C ATOM 2347 CE3 TRP A 155 1.109 -14.586 1.226 1.00 0.00 C ATOM 2348 CZ2 TRP A 155 3.174 -13.218 2.619 1.00 0.00 C ATOM 2349 CZ3 TRP A 155 1.524 -15.002 2.493 1.00 0.00 C ATOM 2350 CH2 TRP A 155 2.529 -14.319 3.184 1.00 0.00 C ATOM 0 H TRP A 155 0.905 -11.345 -3.823 1.00 0.00 H new ATOM 0 HA TRP A 155 0.606 -14.183 -3.030 1.00 0.00 H new ATOM 0 HB2 TRP A 155 -0.294 -11.832 -1.327 1.00 0.00 H new ATOM 0 HB3 TRP A 155 -0.484 -13.532 -0.947 1.00 0.00 H new ATOM 0 HD1 TRP A 155 2.418 -10.923 -1.276 1.00 0.00 H new ATOM 0 HE1 TRP A 155 3.908 -11.010 0.894 1.00 0.00 H new ATOM 0 HE3 TRP A 155 0.316 -15.106 0.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 155 3.949 -12.695 3.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 155 1.061 -15.866 2.946 1.00 0.00 H new ATOM 0 HH2 TRP A 155 2.811 -14.649 4.173 1.00 0.00 H new ATOM 2361 N VAL A 156 -1.995 -14.066 -3.411 1.00 0.00 N ATOM 2362 CA VAL A 156 -3.358 -14.159 -4.058 1.00 0.00 C ATOM 2363 C VAL A 156 -4.584 -14.518 -3.116 1.00 0.00 C ATOM 2364 O VAL A 156 -5.731 -14.491 -3.572 1.00 0.00 O ATOM 2365 CB VAL A 156 -3.205 -15.080 -5.324 1.00 0.00 C ATOM 2366 CG1 VAL A 156 -3.013 -16.588 -5.017 1.00 0.00 C ATOM 2367 CG2 VAL A 156 -4.346 -14.925 -6.354 1.00 0.00 C ATOM 0 H VAL A 156 -1.764 -14.878 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 156 -3.662 -13.153 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 156 -2.279 -14.707 -5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -2.917 -17.140 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 156 -2.112 -16.726 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -3.875 -16.959 -4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -4.168 -15.593 -7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -5.297 -15.178 -5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -4.379 -13.895 -6.708 1.00 0.00 H new ATOM 2377 N ARG A 157 -4.385 -14.805 -1.811 1.00 0.00 N ATOM 2378 CA ARG A 157 -5.495 -15.055 -0.831 1.00 0.00 C ATOM 2379 C ARG A 157 -6.182 -16.457 -0.967 1.00 0.00 C ATOM 2380 O ARG A 157 -5.738 -17.291 -1.762 1.00 0.00 O ATOM 2381 CB ARG A 157 -6.414 -13.796 -0.667 1.00 0.00 C ATOM 2382 CG ARG A 157 -6.680 -13.407 0.815 1.00 0.00 C ATOM 2383 CD ARG A 157 -7.253 -11.990 1.005 1.00 0.00 C ATOM 2384 NE ARG A 157 -8.685 -12.028 1.434 1.00 0.00 N ATOM 2385 CZ ARG A 157 -9.699 -11.480 0.781 1.00 0.00 C ATOM 2386 NH1 ARG A 157 -9.540 -10.770 -0.287 1.00 0.00 N ATOM 2387 NH2 ARG A 157 -10.897 -11.652 1.230 1.00 0.00 N ATOM 0 H ARG A 157 -3.456 -14.873 -1.396 1.00 0.00 H new ATOM 0 HA ARG A 157 -5.050 -15.172 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -5.953 -12.951 -1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.367 -13.986 -1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -7.373 -14.128 1.249 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -5.747 -13.487 1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.664 -11.455 1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -7.167 -11.434 0.071 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.899 -12.517 2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.604 -10.612 -0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.351 -10.367 -0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -11.051 -12.203 2.075 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.690 -11.237 0.740 1.00 0.00 H new ATOM 2401 N SER A 158 -7.211 -16.779 -0.157 1.00 0.00 N ATOM 2402 CA SER A 158 -7.735 -18.182 -0.067 1.00 0.00 C ATOM 2403 C SER A 158 -8.654 -18.625 -1.257 1.00 0.00 C ATOM 2404 O SER A 158 -9.884 -18.692 -1.189 1.00 0.00 O ATOM 2405 CB SER A 158 -8.266 -18.497 1.343 1.00 0.00 C ATOM 2406 OG SER A 158 -9.390 -17.722 1.761 1.00 0.00 O ATOM 0 H SER A 158 -7.697 -16.109 0.439 1.00 0.00 H new ATOM 0 HA SER A 158 -6.879 -18.841 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 158 -8.538 -19.552 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 158 -7.457 -18.349 2.059 1.00 0.00 H new ATOM 0 HG SER A 158 -9.773 -18.114 2.573 1.00 0.00 H new