USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=25 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 180:sc= -0.0342 USER MOD Set 1.2: A 147 HIS : no HD1:sc= -0.145 X(o=-0.18,f=-0.44) USER MOD Set 2.1: A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 131 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 5 SER OG : rot 98:sc= 0.797 USER MOD Set 3.2: A 106 TYR OH : rot 180:sc= 0.478 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -144:sc= 1.89 (180deg=1.45) USER MOD Single : A 30 LYS NZ :NH3+ -141:sc= 1.07 (180deg=-0.538!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc=-0.00785 K(o=-0.0079,f=-0.96) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 35 SER OG : rot 84:sc= 0.00177 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.225 K(o=-0.22,f=-0.92!) USER MOD Single : A 64 MET CE :methyl 143:sc= 0 (180deg=-0.891) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 42:sc= 0.621 USER MOD Single : A 75 THR OG1 : rot -49:sc= 0.292 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -16:sc= 0.507 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0924 USER MOD Single : A 98 TYR OH : rot 118:sc=-0.00418 USER MOD Single : A 110 GLN : amide:sc= -0.0339 K(o=-0.034,f=-0.6) USER MOD Single : A 112 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.023) USER MOD Single : A 119 SER OG : rot -91:sc= 0.0831 USER MOD Single : A 129 THR OG1 : rot -28:sc= 0.00496 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -133:sc= 1.25 USER MOD Single : A 153 GLN : amide:sc= 0.24 X(o=0.24,f=-0.0012) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.584 -2.622 -12.688 1.00 0.00 N ATOM 2 CA MET A 1 -9.998 -2.325 -11.283 1.00 0.00 C ATOM 3 C MET A 1 -10.068 -3.520 -10.249 1.00 0.00 C ATOM 4 O MET A 1 -10.950 -3.513 -9.385 1.00 0.00 O ATOM 5 CB MET A 1 -11.265 -1.414 -11.344 1.00 0.00 C ATOM 6 CG MET A 1 -12.583 -2.049 -11.859 1.00 0.00 C ATOM 7 SD MET A 1 -12.682 -1.904 -13.656 1.00 0.00 S ATOM 8 CE MET A 1 -14.423 -2.287 -13.912 1.00 0.00 C ATOM 0 H1 MET A 1 -9.016 -1.833 -13.057 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.017 -3.494 -12.706 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.430 -2.746 -13.280 1.00 0.00 H new ATOM 0 HA MET A 1 -9.169 -1.793 -10.816 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.448 -1.026 -10.342 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.034 -0.559 -11.979 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.628 -3.099 -11.568 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.438 -1.554 -11.399 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.653 -2.241 -14.976 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.634 -3.289 -13.538 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.037 -1.563 -13.377 1.00 0.00 H new ATOM 20 N GLU A 2 -9.109 -4.477 -10.229 1.00 0.00 N ATOM 21 CA GLU A 2 -8.872 -5.342 -9.016 1.00 0.00 C ATOM 22 C GLU A 2 -8.114 -4.569 -7.866 1.00 0.00 C ATOM 23 O GLU A 2 -7.684 -3.422 -8.045 1.00 0.00 O ATOM 24 CB GLU A 2 -8.290 -6.734 -9.424 1.00 0.00 C ATOM 25 CG GLU A 2 -6.825 -6.804 -9.941 1.00 0.00 C ATOM 26 CD GLU A 2 -6.191 -8.169 -10.190 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.862 -9.085 -10.705 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.980 -8.315 -9.902 1.00 0.00 O ATOM 0 H GLU A 2 -8.491 -4.678 -11.015 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.829 -5.579 -8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.368 -7.392 -8.559 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.935 -7.149 -10.199 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.779 -6.245 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.197 -6.276 -9.223 1.00 0.00 H new ATOM 35 N LEU A 3 -7.982 -5.140 -6.657 1.00 0.00 N ATOM 36 CA LEU A 3 -7.476 -4.394 -5.459 1.00 0.00 C ATOM 37 C LEU A 3 -6.283 -5.103 -4.736 1.00 0.00 C ATOM 38 O LEU A 3 -6.312 -6.309 -4.479 1.00 0.00 O ATOM 39 CB LEU A 3 -8.684 -4.064 -4.514 1.00 0.00 C ATOM 40 CG LEU A 3 -9.126 -2.576 -4.529 1.00 0.00 C ATOM 41 CD1 LEU A 3 -10.470 -2.381 -3.821 1.00 0.00 C ATOM 42 CD2 LEU A 3 -8.105 -1.650 -3.846 1.00 0.00 C ATOM 0 H LEU A 3 -8.215 -6.115 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.038 -3.454 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.533 -4.685 -4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.417 -4.340 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.208 -2.312 -5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.748 -1.327 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.235 -2.972 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.385 -2.704 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.464 -0.621 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.979 -1.951 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.148 -1.720 -4.363 1.00 0.00 H new ATOM 54 N VAL A 4 -5.243 -4.328 -4.378 1.00 0.00 N ATOM 55 CA VAL A 4 -3.955 -4.854 -3.822 1.00 0.00 C ATOM 56 C VAL A 4 -3.390 -3.924 -2.682 1.00 0.00 C ATOM 57 O VAL A 4 -3.606 -2.709 -2.699 1.00 0.00 O ATOM 58 CB VAL A 4 -2.965 -5.103 -5.023 1.00 0.00 C ATOM 59 CG1 VAL A 4 -2.500 -3.850 -5.803 1.00 0.00 C ATOM 60 CG2 VAL A 4 -1.709 -5.916 -4.647 1.00 0.00 C ATOM 0 H VAL A 4 -5.260 -3.312 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.110 -5.810 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.607 -5.684 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.823 -4.150 -6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.366 -3.345 -6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.982 -3.171 -5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.080 -6.043 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.150 -5.386 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.008 -6.894 -4.271 1.00 0.00 H new ATOM 70 N SER A 5 -2.632 -4.459 -1.700 1.00 0.00 N ATOM 71 CA SER A 5 -1.884 -3.634 -0.693 1.00 0.00 C ATOM 72 C SER A 5 -0.333 -3.811 -0.773 1.00 0.00 C ATOM 73 O SER A 5 0.176 -4.883 -1.111 1.00 0.00 O ATOM 74 CB SER A 5 -2.445 -3.881 0.724 1.00 0.00 C ATOM 75 OG SER A 5 -2.072 -5.146 1.265 1.00 0.00 O ATOM 0 H SER A 5 -2.514 -5.464 -1.573 1.00 0.00 H new ATOM 0 HA SER A 5 -2.050 -2.586 -0.943 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.094 -3.092 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.532 -3.813 0.694 1.00 0.00 H new ATOM 0 HG SER A 5 -1.298 -5.034 1.855 1.00 0.00 H new ATOM 81 N VAL A 6 0.437 -2.736 -0.513 1.00 0.00 N ATOM 82 CA VAL A 6 1.856 -2.621 -0.987 1.00 0.00 C ATOM 83 C VAL A 6 2.691 -1.947 0.170 1.00 0.00 C ATOM 84 O VAL A 6 2.621 -0.734 0.385 1.00 0.00 O ATOM 85 CB VAL A 6 1.979 -1.997 -2.445 1.00 0.00 C ATOM 86 CG1 VAL A 6 0.780 -2.230 -3.412 1.00 0.00 C ATOM 87 CG2 VAL A 6 2.258 -0.485 -2.563 1.00 0.00 C ATOM 0 H VAL A 6 0.113 -1.929 0.021 1.00 0.00 H new ATOM 0 HA VAL A 6 2.303 -3.600 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 6 2.857 -2.575 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.988 -1.755 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.635 -3.300 -3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.124 -1.798 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.315 -0.207 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.453 0.072 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.203 -0.250 -2.074 1.00 0.00 H new ATOM 97 N ALA A 7 3.436 -2.732 0.974 1.00 0.00 N ATOM 98 CA ALA A 7 4.087 -2.241 2.230 1.00 0.00 C ATOM 99 C ALA A 7 5.653 -2.282 2.233 1.00 0.00 C ATOM 100 O ALA A 7 6.281 -2.917 1.382 1.00 0.00 O ATOM 101 CB ALA A 7 3.499 -3.117 3.355 1.00 0.00 C ATOM 0 H ALA A 7 3.609 -3.719 0.783 1.00 0.00 H new ATOM 0 HA ALA A 7 3.875 -1.179 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.928 -2.818 4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.417 -2.990 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.736 -4.163 3.163 1.00 0.00 H new ATOM 107 N ALA A 8 6.280 -1.606 3.215 1.00 0.00 N ATOM 108 CA ALA A 8 7.741 -1.727 3.494 1.00 0.00 C ATOM 109 C ALA A 8 8.030 -2.076 4.997 1.00 0.00 C ATOM 110 O ALA A 8 7.620 -1.343 5.903 1.00 0.00 O ATOM 111 CB ALA A 8 8.387 -0.408 3.029 1.00 0.00 C ATOM 0 H ALA A 8 5.798 -0.960 3.840 1.00 0.00 H new ATOM 0 HA ALA A 8 8.179 -2.562 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.461 -0.445 3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.205 -0.269 1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.953 0.425 3.583 1.00 0.00 H new ATOM 117 N LEU A 9 8.706 -3.211 5.239 1.00 0.00 N ATOM 118 CA LEU A 9 8.969 -3.741 6.611 1.00 0.00 C ATOM 119 C LEU A 9 10.410 -3.363 7.074 1.00 0.00 C ATOM 120 O LEU A 9 11.390 -3.836 6.491 1.00 0.00 O ATOM 121 CB LEU A 9 8.826 -5.300 6.617 1.00 0.00 C ATOM 122 CG LEU A 9 7.440 -5.990 6.721 1.00 0.00 C ATOM 123 CD1 LEU A 9 7.016 -6.134 8.192 1.00 0.00 C ATOM 124 CD2 LEU A 9 6.321 -5.330 5.898 1.00 0.00 C ATOM 0 H LEU A 9 9.091 -3.796 4.497 1.00 0.00 H new ATOM 0 HA LEU A 9 8.243 -3.300 7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.292 -5.664 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.426 -5.669 7.449 1.00 0.00 H new ATOM 0 HG LEU A 9 7.579 -6.974 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.042 -6.620 8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.751 -6.737 8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.954 -5.147 8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.393 -5.884 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.183 -4.301 6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.594 -5.336 4.843 1.00 0.00 H new ATOM 136 N ALA A 10 10.535 -2.604 8.171 1.00 0.00 N ATOM 137 CA ALA A 10 11.827 -2.464 8.904 1.00 0.00 C ATOM 138 C ALA A 10 12.019 -3.570 10.017 1.00 0.00 C ATOM 139 O ALA A 10 12.037 -3.269 11.215 1.00 0.00 O ATOM 140 CB ALA A 10 11.804 -0.998 9.396 1.00 0.00 C ATOM 0 H ALA A 10 9.766 -2.073 8.580 1.00 0.00 H new ATOM 0 HA ALA A 10 12.708 -2.643 8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 10 12.717 -0.787 9.953 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.738 -0.328 8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.941 -0.845 10.044 1.00 0.00 H new ATOM 400 N PRO A 27 17.302 2.481 -3.336 1.00 0.00 N ATOM 401 CA PRO A 27 16.373 2.625 -4.496 1.00 0.00 C ATOM 402 C PRO A 27 15.721 1.372 -5.168 1.00 0.00 C ATOM 403 O PRO A 27 14.816 1.559 -5.980 1.00 0.00 O ATOM 404 CB PRO A 27 17.239 3.392 -5.511 1.00 0.00 C ATOM 405 CG PRO A 27 18.230 4.184 -4.663 1.00 0.00 C ATOM 406 CD PRO A 27 18.552 3.245 -3.501 1.00 0.00 C ATOM 0 HA PRO A 27 15.463 3.098 -4.126 1.00 0.00 H new ATOM 0 HB2 PRO A 27 17.754 2.709 -6.186 1.00 0.00 H new ATOM 0 HB3 PRO A 27 16.631 4.053 -6.129 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.125 4.440 -5.230 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.796 5.120 -4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.396 2.594 -3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 27 18.811 3.796 -2.597 1.00 0.00 H new ATOM 414 N ALA A 28 16.177 0.142 -4.879 1.00 0.00 N ATOM 415 CA ALA A 28 15.593 -1.116 -5.431 1.00 0.00 C ATOM 416 C ALA A 28 14.176 -1.521 -4.901 1.00 0.00 C ATOM 417 O ALA A 28 13.288 -1.796 -5.715 1.00 0.00 O ATOM 418 CB ALA A 28 16.655 -2.205 -5.208 1.00 0.00 C ATOM 0 H ALA A 28 16.966 -0.021 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 28 15.374 -0.962 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.287 -3.156 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.571 -1.932 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.861 -2.300 -4.142 1.00 0.00 H new ATOM 424 N ASP A 29 13.944 -1.468 -3.568 1.00 0.00 N ATOM 425 CA ASP A 29 12.585 -1.376 -2.955 1.00 0.00 C ATOM 426 C ASP A 29 11.619 -0.357 -3.658 1.00 0.00 C ATOM 427 O ASP A 29 10.537 -0.731 -4.124 1.00 0.00 O ATOM 428 CB ASP A 29 12.782 -1.030 -1.444 1.00 0.00 C ATOM 429 CG ASP A 29 11.519 -0.668 -0.662 1.00 0.00 C ATOM 430 OD1 ASP A 29 10.456 -1.275 -0.874 1.00 0.00 O ATOM 431 OD2 ASP A 29 11.524 0.351 0.055 1.00 0.00 O ATOM 0 H ASP A 29 14.695 -1.488 -2.878 1.00 0.00 H new ATOM 0 HA ASP A 29 12.086 -2.336 -3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.254 -1.883 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.480 -0.196 -1.372 1.00 0.00 H new ATOM 436 N LYS A 30 12.041 0.914 -3.774 1.00 0.00 N ATOM 437 CA LYS A 30 11.295 1.940 -4.571 1.00 0.00 C ATOM 438 C LYS A 30 11.628 1.967 -6.118 1.00 0.00 C ATOM 439 O LYS A 30 11.386 2.970 -6.800 1.00 0.00 O ATOM 440 CB LYS A 30 11.329 3.304 -3.813 1.00 0.00 C ATOM 441 CG LYS A 30 10.807 3.261 -2.345 1.00 0.00 C ATOM 442 CD LYS A 30 9.280 3.096 -2.175 1.00 0.00 C ATOM 443 CE LYS A 30 8.881 2.674 -0.744 1.00 0.00 C ATOM 444 NZ LYS A 30 9.046 1.217 -0.469 1.00 0.00 N ATOM 0 H LYS A 30 12.890 1.268 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 30 10.247 1.644 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.355 3.672 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.735 4.027 -4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.301 2.438 -1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.111 4.180 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.787 4.036 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.918 2.351 -2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.482 3.238 -0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.840 2.949 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.253 0.882 0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.060 0.694 -1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.940 1.058 0.038 1.00 0.00 H new ATOM 458 N LYS A 31 12.058 0.819 -6.681 1.00 0.00 N ATOM 459 CA LYS A 31 11.821 0.423 -8.094 1.00 0.00 C ATOM 460 C LYS A 31 10.588 -0.523 -8.224 1.00 0.00 C ATOM 461 O LYS A 31 9.704 -0.196 -9.003 1.00 0.00 O ATOM 462 CB LYS A 31 13.045 -0.281 -8.761 1.00 0.00 C ATOM 463 CG LYS A 31 14.326 0.518 -9.099 1.00 0.00 C ATOM 464 CD LYS A 31 14.138 1.899 -9.768 1.00 0.00 C ATOM 465 CE LYS A 31 13.396 1.878 -11.121 1.00 0.00 C ATOM 466 NZ LYS A 31 13.350 3.269 -11.667 1.00 0.00 N ATOM 0 H LYS A 31 12.591 0.124 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 31 11.640 1.362 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.341 -1.100 -8.105 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.691 -0.728 -9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.888 0.663 -8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.944 -0.095 -9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.591 2.546 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.119 2.349 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.905 1.215 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.386 1.490 -10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.852 3.267 -12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.847 3.888 -10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.319 3.621 -11.802 1.00 0.00 H new ATOM 480 N GLN A 32 10.512 -1.671 -7.519 1.00 0.00 N ATOM 481 CA GLN A 32 9.333 -2.591 -7.558 1.00 0.00 C ATOM 482 C GLN A 32 8.001 -1.975 -7.015 1.00 0.00 C ATOM 483 O GLN A 32 6.994 -1.922 -7.726 1.00 0.00 O ATOM 484 CB GLN A 32 9.749 -3.865 -6.784 1.00 0.00 C ATOM 485 CG GLN A 32 8.791 -5.075 -6.954 1.00 0.00 C ATOM 486 CD GLN A 32 9.151 -6.087 -8.057 1.00 0.00 C ATOM 487 OE1 GLN A 32 10.270 -6.169 -8.553 1.00 0.00 O ATOM 488 NE2 GLN A 32 8.219 -6.916 -8.457 1.00 0.00 N ATOM 0 H GLN A 32 11.259 -1.995 -6.905 1.00 0.00 H new ATOM 0 HA GLN A 32 9.088 -2.812 -8.597 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.746 -4.161 -7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.819 -3.622 -5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.743 -5.608 -6.004 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.791 -4.692 -7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.283 -6.863 -8.056 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.430 -7.615 -9.170 1.00 0.00 H new ATOM 497 N TYR A 33 8.028 -1.424 -5.789 1.00 0.00 N ATOM 498 CA TYR A 33 6.963 -0.522 -5.256 1.00 0.00 C ATOM 499 C TYR A 33 6.576 0.705 -6.174 1.00 0.00 C ATOM 500 O TYR A 33 5.421 1.120 -6.134 1.00 0.00 O ATOM 501 CB TYR A 33 7.451 -0.144 -3.822 1.00 0.00 C ATOM 502 CG TYR A 33 6.466 0.495 -2.820 1.00 0.00 C ATOM 503 CD1 TYR A 33 6.076 1.834 -2.955 1.00 0.00 C ATOM 504 CD2 TYR A 33 6.152 -0.193 -1.639 1.00 0.00 C ATOM 505 CE1 TYR A 33 5.435 2.487 -1.903 1.00 0.00 C ATOM 506 CE2 TYR A 33 5.518 0.467 -0.589 1.00 0.00 C ATOM 507 CZ TYR A 33 5.185 1.806 -0.714 1.00 0.00 C ATOM 508 OH TYR A 33 4.647 2.454 0.359 1.00 0.00 O ATOM 0 H TYR A 33 8.788 -1.586 -5.128 1.00 0.00 H new ATOM 0 HA TYR A 33 6.001 -1.033 -5.232 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.840 -1.052 -3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.291 0.542 -3.935 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.272 2.362 -3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.403 -1.239 -1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.133 3.518 -2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.286 -0.065 0.322 1.00 0.00 H new ATOM 0 HH TYR A 33 4.540 1.824 1.102 1.00 0.00 H new ATOM 518 N ARG A 34 7.484 1.248 -7.023 1.00 0.00 N ATOM 519 CA ARG A 34 7.114 2.231 -8.100 1.00 0.00 C ATOM 520 C ARG A 34 7.120 1.718 -9.604 1.00 0.00 C ATOM 521 O ARG A 34 7.147 2.504 -10.550 1.00 0.00 O ATOM 522 CB ARG A 34 8.010 3.486 -7.872 1.00 0.00 C ATOM 523 CG ARG A 34 7.351 4.830 -8.299 1.00 0.00 C ATOM 524 CD ARG A 34 8.281 6.030 -8.568 1.00 0.00 C ATOM 525 NE ARG A 34 9.215 6.293 -7.436 1.00 0.00 N ATOM 526 CZ ARG A 34 10.034 7.332 -7.328 1.00 0.00 C ATOM 527 NH1 ARG A 34 10.045 8.345 -8.149 1.00 0.00 N ATOM 528 NH2 ARG A 34 10.888 7.327 -6.357 1.00 0.00 N ATOM 0 H ARG A 34 8.480 1.029 -6.991 1.00 0.00 H new ATOM 0 HA ARG A 34 6.052 2.451 -7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.273 3.543 -6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.940 3.359 -8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.770 4.647 -9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.646 5.120 -7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.857 5.843 -9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.678 6.919 -8.751 1.00 0.00 H new ATOM 0 HE ARG A 34 9.226 5.613 -6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.395 8.372 -8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.703 9.111 -8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.916 6.542 -5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.534 8.108 -6.242 1.00 0.00 H new ATOM 542 N SER A 35 7.078 0.402 -9.846 1.00 0.00 N ATOM 543 CA SER A 35 6.692 -0.225 -11.149 1.00 0.00 C ATOM 544 C SER A 35 5.329 -0.997 -11.081 1.00 0.00 C ATOM 545 O SER A 35 4.612 -1.022 -12.082 1.00 0.00 O ATOM 546 CB SER A 35 7.845 -1.118 -11.670 1.00 0.00 C ATOM 547 OG SER A 35 8.934 -0.316 -12.130 1.00 0.00 O ATOM 0 H SER A 35 7.315 -0.288 -9.133 1.00 0.00 H new ATOM 0 HA SER A 35 6.527 0.580 -11.865 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.186 -1.782 -10.875 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.484 -1.751 -12.481 1.00 0.00 H new ATOM 0 HG SER A 35 9.500 -0.066 -11.370 1.00 0.00 H new ATOM 553 N ARG A 36 4.905 -1.540 -9.914 1.00 0.00 N ATOM 554 CA ARG A 36 3.464 -1.526 -9.529 1.00 0.00 C ATOM 555 C ARG A 36 2.848 -0.082 -9.479 1.00 0.00 C ATOM 556 O ARG A 36 1.995 0.211 -10.315 1.00 0.00 O ATOM 557 CB ARG A 36 3.272 -2.358 -8.215 1.00 0.00 C ATOM 558 CG ARG A 36 2.653 -3.763 -8.428 1.00 0.00 C ATOM 559 CD ARG A 36 1.120 -3.730 -8.580 1.00 0.00 C ATOM 560 NE ARG A 36 0.627 -5.124 -8.774 1.00 0.00 N ATOM 561 CZ ARG A 36 0.070 -5.623 -9.875 1.00 0.00 C ATOM 562 NH1 ARG A 36 -0.217 -4.928 -10.941 1.00 0.00 N ATOM 563 NH2 ARG A 36 -0.204 -6.886 -9.887 1.00 0.00 N ATOM 0 H ARG A 36 5.521 -1.985 -9.233 1.00 0.00 H new ATOM 0 HA ARG A 36 2.885 -2.012 -10.314 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.240 -2.472 -7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.636 -1.794 -7.533 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.091 -4.216 -9.318 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.915 -4.401 -7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.662 -3.287 -7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.838 -3.108 -9.430 1.00 0.00 H new ATOM 0 HE ARG A 36 0.727 -5.760 -7.983 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.014 -3.929 -10.968 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.644 -5.384 -11.747 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.007 -7.461 -9.072 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.631 -7.307 -10.712 1.00 0.00 H new ATOM 577 N VAL A 37 3.296 0.824 -8.583 1.00 0.00 N ATOM 578 CA VAL A 37 2.750 2.221 -8.515 1.00 0.00 C ATOM 579 C VAL A 37 3.478 3.154 -9.554 1.00 0.00 C ATOM 580 O VAL A 37 4.451 3.832 -9.217 1.00 0.00 O ATOM 581 CB VAL A 37 2.775 2.779 -7.041 1.00 0.00 C ATOM 582 CG1 VAL A 37 1.987 4.105 -6.924 1.00 0.00 C ATOM 583 CG2 VAL A 37 2.243 1.825 -5.935 1.00 0.00 C ATOM 0 H VAL A 37 4.026 0.628 -7.898 1.00 0.00 H new ATOM 0 HA VAL A 37 1.699 2.201 -8.802 1.00 0.00 H new ATOM 0 HB VAL A 37 3.841 2.915 -6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.025 4.461 -5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.431 4.851 -7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.949 3.938 -7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.310 2.319 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.203 1.572 -6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.842 0.914 -5.921 1.00 0.00 H new ATOM 593 N ALA A 38 3.034 3.153 -10.827 1.00 0.00 N ATOM 594 CA ALA A 38 3.705 3.894 -11.935 1.00 0.00 C ATOM 595 C ALA A 38 2.921 5.166 -12.423 1.00 0.00 C ATOM 596 O ALA A 38 3.195 6.267 -11.944 1.00 0.00 O ATOM 597 CB ALA A 38 4.037 2.833 -13.012 1.00 0.00 C ATOM 0 H ALA A 38 2.203 2.642 -11.124 1.00 0.00 H new ATOM 0 HA ALA A 38 4.630 4.364 -11.602 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.533 3.314 -13.855 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.696 2.077 -12.586 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.116 2.361 -13.354 1.00 0.00 H new ATOM 603 N ASP A 39 1.971 5.033 -13.364 1.00 0.00 N ATOM 604 CA ASP A 39 1.086 6.154 -13.816 1.00 0.00 C ATOM 605 C ASP A 39 -0.439 5.739 -13.739 1.00 0.00 C ATOM 606 O ASP A 39 -1.191 5.875 -14.704 1.00 0.00 O ATOM 607 CB ASP A 39 1.617 6.616 -15.211 1.00 0.00 C ATOM 608 CG ASP A 39 1.193 7.995 -15.736 1.00 0.00 C ATOM 609 OD1 ASP A 39 0.590 8.805 -14.997 1.00 0.00 O ATOM 610 OD2 ASP A 39 1.527 8.291 -16.905 1.00 0.00 O ATOM 0 H ASP A 39 1.784 4.151 -13.841 1.00 0.00 H new ATOM 0 HA ASP A 39 1.126 7.022 -13.158 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.706 6.596 -15.174 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.309 5.872 -15.946 1.00 0.00 H new ATOM 615 N ASP A 40 -0.910 5.255 -12.564 1.00 0.00 N ATOM 616 CA ASP A 40 -2.338 4.843 -12.334 1.00 0.00 C ATOM 617 C ASP A 40 -2.768 5.074 -10.811 1.00 0.00 C ATOM 618 O ASP A 40 -1.893 5.324 -9.966 1.00 0.00 O ATOM 619 CB ASP A 40 -2.540 3.374 -12.847 1.00 0.00 C ATOM 620 CG ASP A 40 -3.738 3.059 -13.744 1.00 0.00 C ATOM 621 OD1 ASP A 40 -4.440 3.974 -14.226 1.00 0.00 O ATOM 622 OD2 ASP A 40 -4.002 1.855 -13.949 1.00 0.00 O ATOM 0 H ASP A 40 -0.319 5.135 -11.741 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.012 5.476 -12.911 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.639 3.088 -13.390 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.604 2.726 -11.973 1.00 0.00 H new ATOM 627 N PRO A 41 -4.073 5.044 -10.388 1.00 0.00 N ATOM 628 CA PRO A 41 -4.523 5.531 -9.055 1.00 0.00 C ATOM 629 C PRO A 41 -3.991 4.841 -7.762 1.00 0.00 C ATOM 630 O PRO A 41 -3.949 3.614 -7.623 1.00 0.00 O ATOM 631 CB PRO A 41 -6.056 5.403 -9.148 1.00 0.00 C ATOM 632 CG PRO A 41 -6.400 5.423 -10.636 1.00 0.00 C ATOM 633 CD PRO A 41 -5.199 4.764 -11.290 1.00 0.00 C ATOM 0 HA PRO A 41 -4.112 6.530 -8.907 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.398 4.478 -8.683 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.547 6.224 -8.625 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.319 4.875 -10.842 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.547 6.440 -11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.353 3.691 -11.408 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.018 5.171 -12.285 1.00 0.00 H new ATOM 641 N VAL A 42 -3.644 5.671 -6.772 1.00 0.00 N ATOM 642 CA VAL A 42 -2.894 5.241 -5.558 1.00 0.00 C ATOM 643 C VAL A 42 -3.722 5.473 -4.240 1.00 0.00 C ATOM 644 O VAL A 42 -4.028 6.614 -3.879 1.00 0.00 O ATOM 645 CB VAL A 42 -1.465 5.899 -5.598 1.00 0.00 C ATOM 646 CG1 VAL A 42 -1.394 7.445 -5.513 1.00 0.00 C ATOM 647 CG2 VAL A 42 -0.549 5.337 -4.499 1.00 0.00 C ATOM 0 H VAL A 42 -3.870 6.666 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.741 4.162 -5.555 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.130 5.630 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.352 7.764 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.938 7.881 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.841 7.779 -4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.428 5.816 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.990 5.534 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.435 4.262 -4.635 1.00 0.00 H new ATOM 657 N VAL A 43 -4.051 4.400 -3.499 1.00 0.00 N ATOM 658 CA VAL A 43 -4.766 4.471 -2.184 1.00 0.00 C ATOM 659 C VAL A 43 -3.759 4.688 -1.000 1.00 0.00 C ATOM 660 O VAL A 43 -2.801 3.932 -0.817 1.00 0.00 O ATOM 661 CB VAL A 43 -5.678 3.207 -1.953 1.00 0.00 C ATOM 662 CG1 VAL A 43 -6.563 3.320 -0.684 1.00 0.00 C ATOM 663 CG2 VAL A 43 -6.615 2.801 -3.120 1.00 0.00 C ATOM 0 H VAL A 43 -3.833 3.446 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.425 5.339 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.922 2.429 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.167 2.419 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.927 3.433 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.217 4.187 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.188 1.918 -2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.298 3.622 -3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.019 2.577 -4.005 1.00 0.00 H new ATOM 673 N LEU A 44 -3.988 5.717 -0.173 1.00 0.00 N ATOM 674 CA LEU A 44 -3.062 6.114 0.934 1.00 0.00 C ATOM 675 C LEU A 44 -3.781 7.007 2.009 1.00 0.00 C ATOM 676 O LEU A 44 -4.874 7.538 1.788 1.00 0.00 O ATOM 677 CB LEU A 44 -1.740 6.722 0.364 1.00 0.00 C ATOM 678 CG LEU A 44 -1.823 7.929 -0.616 1.00 0.00 C ATOM 679 CD1 LEU A 44 -2.126 9.265 0.079 1.00 0.00 C ATOM 680 CD2 LEU A 44 -0.521 8.056 -1.418 1.00 0.00 C ATOM 0 H LEU A 44 -4.817 6.308 -0.240 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.764 5.218 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.127 7.028 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.203 5.922 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.661 7.718 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.169 10.061 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.084 9.198 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.340 9.486 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.594 8.904 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.314 8.210 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.356 7.144 -1.991 1.00 0.00 H new ATOM 692 N GLY A 45 -3.185 7.183 3.204 1.00 0.00 N ATOM 693 CA GLY A 45 -3.779 8.044 4.274 1.00 0.00 C ATOM 694 C GLY A 45 -3.430 9.543 4.214 1.00 0.00 C ATOM 695 O GLY A 45 -2.424 9.939 3.625 1.00 0.00 O ATOM 0 H GLY A 45 -2.299 6.749 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.863 7.943 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.460 7.657 5.242 1.00 0.00 H new ATOM 699 N ARG A 46 -4.217 10.390 4.906 1.00 0.00 N ATOM 700 CA ARG A 46 -3.862 11.839 5.053 1.00 0.00 C ATOM 701 C ARG A 46 -2.449 12.153 5.679 1.00 0.00 C ATOM 702 O ARG A 46 -1.822 13.113 5.233 1.00 0.00 O ATOM 703 CB ARG A 46 -5.029 12.625 5.728 1.00 0.00 C ATOM 704 CG ARG A 46 -4.843 14.162 5.608 1.00 0.00 C ATOM 705 CD ARG A 46 -5.871 15.049 6.342 1.00 0.00 C ATOM 706 NE ARG A 46 -5.186 16.362 6.567 1.00 0.00 N ATOM 707 CZ ARG A 46 -4.590 16.657 7.713 1.00 0.00 C ATOM 708 NH1 ARG A 46 -5.210 16.537 8.849 1.00 0.00 N ATOM 709 NH2 ARG A 46 -3.367 17.085 7.695 1.00 0.00 N ATOM 0 H ARG A 46 -5.085 10.117 5.367 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.739 12.206 4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.974 12.337 5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.091 12.349 6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.850 14.414 5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.862 14.425 4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.775 15.176 5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.173 14.598 7.287 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.178 17.050 5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.176 16.210 8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.731 16.770 9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.877 17.191 6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.895 17.316 8.569 1.00 0.00 H new ATOM 723 N THR A 47 -1.936 11.373 6.644 1.00 0.00 N ATOM 724 CA THR A 47 -0.495 11.434 7.055 1.00 0.00 C ATOM 725 C THR A 47 0.592 11.218 5.930 1.00 0.00 C ATOM 726 O THR A 47 1.547 11.995 5.859 1.00 0.00 O ATOM 727 CB THR A 47 -0.307 10.566 8.334 1.00 0.00 C ATOM 728 OG1 THR A 47 1.017 10.723 8.823 1.00 0.00 O ATOM 729 CG2 THR A 47 -0.574 9.053 8.226 1.00 0.00 C ATOM 0 H THR A 47 -2.485 10.688 7.163 1.00 0.00 H new ATOM 0 HA THR A 47 -0.280 12.477 7.289 1.00 0.00 H new ATOM 0 HB THR A 47 -1.082 10.948 8.999 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.135 10.178 9.629 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.402 8.583 9.194 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.607 8.887 7.920 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.098 8.617 7.487 1.00 0.00 H new ATOM 737 N THR A 48 0.438 10.249 5.003 1.00 0.00 N ATOM 738 CA THR A 48 1.257 10.173 3.736 1.00 0.00 C ATOM 739 C THR A 48 1.208 11.434 2.793 1.00 0.00 C ATOM 740 O THR A 48 2.233 11.777 2.195 1.00 0.00 O ATOM 741 CB THR A 48 0.885 8.856 2.973 1.00 0.00 C ATOM 742 OG1 THR A 48 1.141 7.739 3.811 1.00 0.00 O ATOM 743 CG2 THR A 48 1.685 8.542 1.695 1.00 0.00 C ATOM 0 H THR A 48 -0.245 9.497 5.093 1.00 0.00 H new ATOM 0 HA THR A 48 2.300 10.160 4.053 1.00 0.00 H new ATOM 0 HB THR A 48 -0.156 9.023 2.698 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.907 6.914 3.337 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.330 7.606 1.264 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.549 9.348 0.974 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.743 8.450 1.941 1.00 0.00 H new ATOM 751 N PHE A 49 0.044 12.105 2.653 1.00 0.00 N ATOM 752 CA PHE A 49 -0.119 13.350 1.831 1.00 0.00 C ATOM 753 C PHE A 49 0.887 14.527 2.092 1.00 0.00 C ATOM 754 O PHE A 49 1.252 15.237 1.155 1.00 0.00 O ATOM 755 CB PHE A 49 -1.603 13.809 2.011 1.00 0.00 C ATOM 756 CG PHE A 49 -2.098 14.895 1.033 1.00 0.00 C ATOM 757 CD1 PHE A 49 -1.811 16.244 1.268 1.00 0.00 C ATOM 758 CD2 PHE A 49 -2.780 14.537 -0.131 1.00 0.00 C ATOM 759 CE1 PHE A 49 -2.164 17.216 0.332 1.00 0.00 C ATOM 760 CE2 PHE A 49 -3.151 15.507 -1.061 1.00 0.00 C ATOM 761 CZ PHE A 49 -2.831 16.844 -0.834 1.00 0.00 C ATOM 0 H PHE A 49 -0.820 11.806 3.105 1.00 0.00 H new ATOM 0 HA PHE A 49 0.129 13.085 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.247 12.936 1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.727 14.180 3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.312 16.535 2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.022 13.500 -0.313 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.921 18.253 0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.685 15.223 -1.956 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.100 17.594 -1.563 1.00 0.00 H new ATOM 771 N GLU A 50 1.296 14.781 3.347 1.00 0.00 N ATOM 772 CA GLU A 50 2.348 15.789 3.666 1.00 0.00 C ATOM 773 C GLU A 50 3.851 15.417 3.297 1.00 0.00 C ATOM 774 O GLU A 50 4.674 16.333 3.185 1.00 0.00 O ATOM 775 CB GLU A 50 1.997 16.519 5.014 1.00 0.00 C ATOM 776 CG GLU A 50 1.447 15.767 6.279 1.00 0.00 C ATOM 777 CD GLU A 50 0.411 16.529 7.131 1.00 0.00 C ATOM 778 OE1 GLU A 50 0.813 17.382 7.949 1.00 0.00 O ATOM 779 OE2 GLU A 50 -0.817 16.296 6.991 1.00 0.00 O ATOM 0 H GLU A 50 0.919 14.305 4.167 1.00 0.00 H new ATOM 0 HA GLU A 50 2.320 16.589 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.903 17.035 5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.263 17.286 4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.997 14.830 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.292 15.509 6.918 1.00 0.00 H new ATOM 786 N SER A 51 4.190 14.155 2.917 1.00 0.00 N ATOM 787 CA SER A 51 5.234 13.870 1.874 1.00 0.00 C ATOM 788 C SER A 51 4.732 14.084 0.398 1.00 0.00 C ATOM 789 O SER A 51 5.272 14.950 -0.293 1.00 0.00 O ATOM 790 CB SER A 51 5.852 12.458 2.091 1.00 0.00 C ATOM 791 OG SER A 51 6.862 12.163 1.120 1.00 0.00 O ATOM 0 H SER A 51 3.762 13.317 3.311 1.00 0.00 H new ATOM 0 HA SER A 51 6.021 14.612 2.007 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.282 12.399 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.066 11.705 2.037 1.00 0.00 H new ATOM 0 HG SER A 51 7.228 11.270 1.289 1.00 0.00 H new ATOM 797 N MET A 52 3.721 13.335 -0.098 1.00 0.00 N ATOM 798 CA MET A 52 3.248 13.402 -1.528 1.00 0.00 C ATOM 799 C MET A 52 2.444 14.692 -1.991 1.00 0.00 C ATOM 800 O MET A 52 1.561 14.627 -2.854 1.00 0.00 O ATOM 801 CB MET A 52 2.434 12.112 -1.865 1.00 0.00 C ATOM 802 CG MET A 52 2.939 10.725 -1.414 1.00 0.00 C ATOM 803 SD MET A 52 4.664 10.456 -1.857 1.00 0.00 S ATOM 804 CE MET A 52 5.020 9.046 -0.789 1.00 0.00 C ATOM 0 H MET A 52 3.202 12.664 0.468 1.00 0.00 H new ATOM 0 HA MET A 52 4.173 13.478 -2.100 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.436 12.243 -1.446 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.322 12.077 -2.949 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.823 10.631 -0.334 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.323 9.950 -1.869 1.00 0.00 H new ATOM 0 HE1 MET A 52 6.056 8.736 -0.928 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.863 9.329 0.252 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.357 8.220 -1.044 1.00 0.00 H new ATOM 814 N ARG A 53 2.787 15.885 -1.471 1.00 0.00 N ATOM 815 CA ARG A 53 2.284 17.199 -1.984 1.00 0.00 C ATOM 816 C ARG A 53 3.098 17.866 -3.163 1.00 0.00 C ATOM 817 O ARG A 53 2.626 18.867 -3.703 1.00 0.00 O ATOM 818 CB ARG A 53 2.024 18.149 -0.762 1.00 0.00 C ATOM 819 CG ARG A 53 3.156 18.479 0.258 1.00 0.00 C ATOM 820 CD ARG A 53 4.441 19.007 -0.393 1.00 0.00 C ATOM 821 NE ARG A 53 5.510 19.354 0.577 1.00 0.00 N ATOM 822 CZ ARG A 53 5.711 20.543 1.109 1.00 0.00 C ATOM 823 NH1 ARG A 53 4.840 21.506 1.053 1.00 0.00 N ATOM 824 NH2 ARG A 53 6.827 20.751 1.725 1.00 0.00 N ATOM 0 H ARG A 53 3.423 15.979 -0.679 1.00 0.00 H new ATOM 0 HA ARG A 53 1.345 16.994 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.672 19.098 -1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.199 17.719 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.788 19.220 0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.391 17.581 0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.822 18.255 -1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.200 19.890 -0.984 1.00 0.00 H new ATOM 0 HE ARG A 53 6.145 18.606 0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.948 21.360 0.580 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.048 22.407 1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.521 20.006 1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.014 21.660 2.148 1.00 0.00 H new ATOM 838 N ASP A 54 4.291 17.362 -3.531 1.00 0.00 N ATOM 839 CA ASP A 54 5.175 17.962 -4.577 1.00 0.00 C ATOM 840 C ASP A 54 5.227 17.086 -5.897 1.00 0.00 C ATOM 841 O ASP A 54 4.889 17.609 -6.965 1.00 0.00 O ATOM 842 CB ASP A 54 6.569 18.263 -3.943 1.00 0.00 C ATOM 843 CG ASP A 54 6.653 19.341 -2.841 1.00 0.00 C ATOM 844 OD1 ASP A 54 6.031 20.420 -2.969 1.00 0.00 O ATOM 845 OD2 ASP A 54 7.345 19.110 -1.820 1.00 0.00 O ATOM 0 H ASP A 54 4.682 16.518 -3.113 1.00 0.00 H new ATOM 0 HA ASP A 54 4.758 18.910 -4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.954 17.332 -3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.244 18.556 -4.747 1.00 0.00 H new ATOM 850 N ASP A 55 5.586 15.777 -5.850 1.00 0.00 N ATOM 851 CA ASP A 55 5.148 14.766 -6.873 1.00 0.00 C ATOM 852 C ASP A 55 4.085 13.758 -6.291 1.00 0.00 C ATOM 853 O ASP A 55 4.124 13.362 -5.117 1.00 0.00 O ATOM 854 CB ASP A 55 6.331 14.068 -7.623 1.00 0.00 C ATOM 855 CG ASP A 55 7.257 13.075 -6.903 1.00 0.00 C ATOM 856 OD1 ASP A 55 6.902 11.883 -6.772 1.00 0.00 O ATOM 857 OD2 ASP A 55 8.396 13.456 -6.563 1.00 0.00 O ATOM 0 H ASP A 55 6.178 15.387 -5.117 1.00 0.00 H new ATOM 0 HA ASP A 55 4.638 15.331 -7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.901 13.541 -8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.964 14.859 -8.024 1.00 0.00 H new ATOM 862 N LEU A 56 3.126 13.332 -7.137 1.00 0.00 N ATOM 863 CA LEU A 56 2.229 12.179 -6.828 1.00 0.00 C ATOM 864 C LEU A 56 2.875 10.812 -7.294 1.00 0.00 C ATOM 865 O LEU A 56 3.275 10.728 -8.461 1.00 0.00 O ATOM 866 CB LEU A 56 0.831 12.330 -7.514 1.00 0.00 C ATOM 867 CG LEU A 56 -0.134 13.513 -7.201 1.00 0.00 C ATOM 868 CD1 LEU A 56 -0.061 14.082 -5.773 1.00 0.00 C ATOM 869 CD2 LEU A 56 0.017 14.658 -8.217 1.00 0.00 C ATOM 0 H LEU A 56 2.945 13.764 -8.043 1.00 0.00 H new ATOM 0 HA LEU A 56 2.096 12.174 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.012 12.352 -8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.280 11.414 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.120 13.055 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.775 14.899 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.302 13.297 -5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.946 14.453 -5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.673 15.463 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.039 15.035 -8.191 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.208 14.289 -9.217 1.00 0.00 H new ATOM 881 N PRO A 57 2.902 9.694 -6.499 1.00 0.00 N ATOM 882 CA PRO A 57 3.343 8.358 -7.016 1.00 0.00 C ATOM 883 C PRO A 57 2.711 7.729 -8.307 1.00 0.00 C ATOM 884 O PRO A 57 3.401 7.002 -9.020 1.00 0.00 O ATOM 885 CB PRO A 57 3.141 7.472 -5.774 1.00 0.00 C ATOM 886 CG PRO A 57 3.338 8.399 -4.572 1.00 0.00 C ATOM 887 CD PRO A 57 2.790 9.751 -5.030 1.00 0.00 C ATOM 0 HA PRO A 57 4.351 8.462 -7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.146 7.027 -5.767 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.857 6.651 -5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.803 8.031 -3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.390 8.471 -4.296 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.757 9.893 -4.712 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.367 10.578 -4.616 1.00 0.00 H new ATOM 895 N GLY A 58 1.426 7.987 -8.576 1.00 0.00 N ATOM 896 CA GLY A 58 0.808 7.748 -9.913 1.00 0.00 C ATOM 897 C GLY A 58 -0.403 8.675 -10.207 1.00 0.00 C ATOM 898 O GLY A 58 -0.582 9.735 -9.593 1.00 0.00 O ATOM 0 H GLY A 58 0.777 8.366 -7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.563 7.893 -10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.484 6.709 -9.975 1.00 0.00 H new ATOM 902 N SER A 59 -1.239 8.287 -11.176 1.00 0.00 N ATOM 903 CA SER A 59 -2.198 9.226 -11.839 1.00 0.00 C ATOM 904 C SER A 59 -3.597 9.492 -11.165 1.00 0.00 C ATOM 905 O SER A 59 -4.498 10.011 -11.824 1.00 0.00 O ATOM 906 CB SER A 59 -2.308 8.783 -13.323 1.00 0.00 C ATOM 907 OG SER A 59 -2.382 9.916 -14.188 1.00 0.00 O ATOM 0 H SER A 59 -1.284 7.332 -11.531 1.00 0.00 H new ATOM 0 HA SER A 59 -1.772 10.223 -11.725 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.445 8.173 -13.589 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.193 8.160 -13.456 1.00 0.00 H new ATOM 0 HG SER A 59 -2.449 9.614 -15.118 1.00 0.00 H new ATOM 913 N ALA A 60 -3.790 9.229 -9.853 1.00 0.00 N ATOM 914 CA ALA A 60 -4.906 9.805 -9.045 1.00 0.00 C ATOM 915 C ALA A 60 -4.686 9.566 -7.518 1.00 0.00 C ATOM 916 O ALA A 60 -4.742 8.424 -7.050 1.00 0.00 O ATOM 917 CB ALA A 60 -6.288 9.269 -9.485 1.00 0.00 C ATOM 0 H ALA A 60 -3.180 8.612 -9.317 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.899 10.879 -9.230 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.066 9.718 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.462 9.525 -10.530 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.312 8.186 -9.368 1.00 0.00 H new ATOM 923 N GLN A 61 -4.466 10.624 -6.709 1.00 0.00 N ATOM 924 CA GLN A 61 -4.239 10.460 -5.241 1.00 0.00 C ATOM 925 C GLN A 61 -5.562 10.188 -4.443 1.00 0.00 C ATOM 926 O GLN A 61 -6.335 11.112 -4.157 1.00 0.00 O ATOM 927 CB GLN A 61 -3.426 11.680 -4.717 1.00 0.00 C ATOM 928 CG GLN A 61 -2.935 11.513 -3.243 1.00 0.00 C ATOM 929 CD GLN A 61 -1.468 11.793 -2.918 1.00 0.00 C ATOM 930 OE1 GLN A 61 -1.149 12.549 -2.013 1.00 0.00 O ATOM 931 NE2 GLN A 61 -0.541 11.136 -3.561 1.00 0.00 N ATOM 0 H GLN A 61 -4.439 11.591 -7.033 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.648 9.560 -5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.563 11.837 -5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.043 12.576 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.542 12.167 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.151 10.489 -2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.797 10.502 -4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.439 11.256 -3.306 1.00 0.00 H new ATOM 940 N ILE A 62 -5.798 8.913 -4.074 1.00 0.00 N ATOM 941 CA ILE A 62 -6.990 8.483 -3.283 1.00 0.00 C ATOM 942 C ILE A 62 -6.646 8.624 -1.752 1.00 0.00 C ATOM 943 O ILE A 62 -6.127 7.699 -1.116 1.00 0.00 O ATOM 944 CB ILE A 62 -7.545 7.069 -3.702 1.00 0.00 C ATOM 945 CG1 ILE A 62 -7.834 6.906 -5.226 1.00 0.00 C ATOM 946 CG2 ILE A 62 -8.825 6.729 -2.892 1.00 0.00 C ATOM 947 CD1 ILE A 62 -8.066 5.455 -5.694 1.00 0.00 C ATOM 0 H ILE A 62 -5.172 8.144 -4.312 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.830 9.141 -3.506 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.742 6.369 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.713 7.498 -5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.997 7.323 -5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.196 5.749 -3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.590 6.717 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.589 7.482 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.259 5.445 -6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.180 4.857 -5.479 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.923 5.036 -5.167 1.00 0.00 H new ATOM 959 N VAL A 63 -6.937 9.801 -1.167 1.00 0.00 N ATOM 960 CA VAL A 63 -6.437 10.201 0.183 1.00 0.00 C ATOM 961 C VAL A 63 -7.515 10.005 1.316 1.00 0.00 C ATOM 962 O VAL A 63 -8.418 10.830 1.500 1.00 0.00 O ATOM 963 CB VAL A 63 -5.773 11.627 0.104 1.00 0.00 C ATOM 964 CG1 VAL A 63 -6.640 12.796 -0.433 1.00 0.00 C ATOM 965 CG2 VAL A 63 -5.164 12.069 1.454 1.00 0.00 C ATOM 0 H VAL A 63 -7.524 10.509 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.645 9.520 0.495 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.006 11.452 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.054 13.715 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.961 12.573 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.515 12.923 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.719 13.058 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.946 12.104 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.396 11.357 1.757 1.00 0.00 H new ATOM 975 N MET A 64 -7.384 8.935 2.121 1.00 0.00 N ATOM 976 CA MET A 64 -8.289 8.648 3.269 1.00 0.00 C ATOM 977 C MET A 64 -8.202 9.693 4.434 1.00 0.00 C ATOM 978 O MET A 64 -7.130 10.003 4.968 1.00 0.00 O ATOM 979 CB MET A 64 -7.992 7.215 3.780 1.00 0.00 C ATOM 980 CG MET A 64 -8.805 6.115 3.086 1.00 0.00 C ATOM 981 SD MET A 64 -10.515 6.253 3.632 1.00 0.00 S ATOM 982 CE MET A 64 -11.134 4.696 3.005 1.00 0.00 C ATOM 0 H MET A 64 -6.649 8.238 2.001 1.00 0.00 H new ATOM 0 HA MET A 64 -9.314 8.726 2.906 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.931 7.006 3.644 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.190 7.176 4.851 1.00 0.00 H new ATOM 0 HG2 MET A 64 -8.742 6.221 2.003 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.405 5.132 3.334 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.856 4.281 3.709 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.618 4.858 2.042 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.306 3.998 2.882 1.00 0.00 H new ATOM 992 N SER A 65 -9.361 10.242 4.828 1.00 0.00 N ATOM 993 CA SER A 65 -9.422 11.461 5.671 1.00 0.00 C ATOM 994 C SER A 65 -10.653 11.429 6.629 1.00 0.00 C ATOM 995 O SER A 65 -11.765 11.794 6.243 1.00 0.00 O ATOM 996 CB SER A 65 -9.393 12.696 4.725 1.00 0.00 C ATOM 997 OG SER A 65 -9.840 13.886 5.378 1.00 0.00 O ATOM 0 H SER A 65 -10.275 9.865 4.579 1.00 0.00 H new ATOM 0 HA SER A 65 -8.560 11.518 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.378 12.845 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.023 12.501 3.857 1.00 0.00 H new ATOM 0 HG SER A 65 -9.805 14.637 4.749 1.00 0.00 H new ATOM 1088 N PHE A 71 -9.212 18.819 -1.535 1.00 0.00 N ATOM 1089 CA PHE A 71 -7.775 19.178 -1.738 1.00 0.00 C ATOM 1090 C PHE A 71 -7.600 19.697 -3.204 1.00 0.00 C ATOM 1091 O PHE A 71 -7.966 19.002 -4.159 1.00 0.00 O ATOM 1092 CB PHE A 71 -6.869 17.945 -1.449 1.00 0.00 C ATOM 1093 CG PHE A 71 -6.818 17.434 0.008 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -7.703 16.444 0.446 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -5.825 17.897 0.878 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -7.580 15.903 1.726 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -5.701 17.359 2.158 1.00 0.00 C ATOM 1098 CZ PHE A 71 -6.578 16.362 2.577 1.00 0.00 C ATOM 0 HA PHE A 71 -7.474 19.965 -1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.203 17.124 -2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.853 18.193 -1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.487 16.096 -0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.150 18.676 0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.259 15.131 2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.927 17.714 2.822 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.481 15.942 3.567 1.00 0.00 H new ATOM 1108 N SER A 72 -7.058 20.910 -3.387 1.00 0.00 N ATOM 1109 CA SER A 72 -6.804 21.486 -4.739 1.00 0.00 C ATOM 1110 C SER A 72 -5.485 20.947 -5.388 1.00 0.00 C ATOM 1111 O SER A 72 -4.393 21.469 -5.140 1.00 0.00 O ATOM 1112 CB SER A 72 -6.812 23.028 -4.594 1.00 0.00 C ATOM 1113 OG SER A 72 -5.727 23.483 -3.779 1.00 0.00 O ATOM 0 H SER A 72 -6.782 21.522 -2.619 1.00 0.00 H new ATOM 0 HA SER A 72 -7.589 21.174 -5.428 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.746 23.488 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.757 23.349 -4.156 1.00 0.00 H new ATOM 0 HG SER A 72 -4.915 22.983 -4.006 1.00 0.00 H new ATOM 1119 N VAL A 73 -5.616 19.876 -6.178 1.00 0.00 N ATOM 1120 CA VAL A 73 -4.480 19.228 -6.908 1.00 0.00 C ATOM 1121 C VAL A 73 -4.984 18.858 -8.367 1.00 0.00 C ATOM 1122 O VAL A 73 -6.072 19.265 -8.800 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.832 18.035 -6.075 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.322 17.847 -6.382 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -3.924 18.071 -4.524 1.00 0.00 C ATOM 0 H VAL A 73 -6.513 19.418 -6.341 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.642 19.916 -7.022 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.467 17.220 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.930 17.021 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.191 17.626 -7.441 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.783 18.761 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.436 17.189 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.430 18.968 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.971 18.081 -4.222 1.00 0.00 H new ATOM 1135 N ASP A 74 -4.207 18.083 -9.135 1.00 0.00 N ATOM 1136 CA ASP A 74 -4.496 17.764 -10.567 1.00 0.00 C ATOM 1137 C ASP A 74 -5.712 16.783 -10.773 1.00 0.00 C ATOM 1138 O ASP A 74 -6.772 17.193 -11.261 1.00 0.00 O ATOM 1139 CB ASP A 74 -3.146 17.289 -11.185 1.00 0.00 C ATOM 1140 CG ASP A 74 -2.085 18.386 -11.302 1.00 0.00 C ATOM 1141 OD1 ASP A 74 -1.476 18.728 -10.264 1.00 0.00 O ATOM 1142 OD2 ASP A 74 -1.890 18.930 -12.409 1.00 0.00 O ATOM 0 H ASP A 74 -3.350 17.649 -8.791 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.852 18.646 -11.099 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.747 16.478 -10.576 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.338 16.879 -12.176 1.00 0.00 H new ATOM 1147 N THR A 75 -5.594 15.509 -10.357 1.00 0.00 N ATOM 1148 CA THR A 75 -6.743 14.535 -10.302 1.00 0.00 C ATOM 1149 C THR A 75 -6.839 13.771 -8.920 1.00 0.00 C ATOM 1150 O THR A 75 -7.023 12.553 -8.837 1.00 0.00 O ATOM 1151 CB THR A 75 -6.782 13.663 -11.599 1.00 0.00 C ATOM 1152 OG1 THR A 75 -7.855 12.732 -11.564 1.00 0.00 O ATOM 1153 CG2 THR A 75 -5.526 12.830 -11.877 1.00 0.00 C ATOM 0 H THR A 75 -4.709 15.109 -10.046 1.00 0.00 H new ATOM 0 HA THR A 75 -7.685 15.084 -10.312 1.00 0.00 H new ATOM 0 HB THR A 75 -6.886 14.411 -12.385 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.849 12.258 -10.706 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.661 12.265 -12.799 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.666 13.492 -11.980 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.357 12.140 -11.050 1.00 0.00 H new ATOM 1161 N ALA A 76 -6.805 14.516 -7.799 1.00 0.00 N ATOM 1162 CA ALA A 76 -6.915 13.951 -6.427 1.00 0.00 C ATOM 1163 C ALA A 76 -8.389 13.795 -5.906 1.00 0.00 C ATOM 1164 O ALA A 76 -9.268 14.623 -6.177 1.00 0.00 O ATOM 1165 CB ALA A 76 -6.086 14.898 -5.537 1.00 0.00 C ATOM 0 H ALA A 76 -6.700 15.531 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.541 12.927 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.117 14.548 -4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.053 14.912 -5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.501 15.905 -5.591 1.00 0.00 H new ATOM 1171 N HIS A 77 -8.680 12.711 -5.168 1.00 0.00 N ATOM 1172 CA HIS A 77 -10.041 12.427 -4.616 1.00 0.00 C ATOM 1173 C HIS A 77 -9.909 11.875 -3.147 1.00 0.00 C ATOM 1174 O HIS A 77 -9.168 10.918 -2.936 1.00 0.00 O ATOM 1175 CB HIS A 77 -10.761 11.390 -5.535 1.00 0.00 C ATOM 1176 CG HIS A 77 -11.262 11.823 -6.926 1.00 0.00 C ATOM 1177 ND1 HIS A 77 -12.589 11.672 -7.312 1.00 0.00 N ATOM 1178 CD2 HIS A 77 -10.477 12.076 -8.075 1.00 0.00 C ATOM 1179 CE1 HIS A 77 -12.496 11.813 -8.674 1.00 0.00 C ATOM 1180 NE2 HIS A 77 -11.274 12.093 -9.216 1.00 0.00 N ATOM 0 H HIS A 77 -7.988 12.000 -4.930 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.632 13.342 -4.589 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -10.077 10.554 -5.681 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -11.620 11.007 -4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.409 12.234 -8.068 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.368 11.705 -9.302 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -11.017 12.266 -10.188 1.00 0.00 H new ATOM 1189 N ARG A 78 -10.605 12.419 -2.125 1.00 0.00 N ATOM 1190 CA ARG A 78 -10.586 11.823 -0.739 1.00 0.00 C ATOM 1191 C ARG A 78 -11.576 10.624 -0.528 1.00 0.00 C ATOM 1192 O ARG A 78 -12.584 10.526 -1.232 1.00 0.00 O ATOM 1193 CB ARG A 78 -10.687 12.987 0.314 1.00 0.00 C ATOM 1194 CG ARG A 78 -11.677 12.910 1.523 1.00 0.00 C ATOM 1195 CD ARG A 78 -13.192 12.951 1.228 1.00 0.00 C ATOM 1196 NE ARG A 78 -13.566 14.249 0.611 1.00 0.00 N ATOM 1197 CZ ARG A 78 -14.681 14.470 -0.073 1.00 0.00 C ATOM 1198 NH1 ARG A 78 -15.594 13.561 -0.307 1.00 0.00 N ATOM 1199 NH2 ARG A 78 -14.863 15.666 -0.539 1.00 0.00 N ATOM 0 H ARG A 78 -11.182 13.255 -2.214 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.630 11.322 -0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.689 13.126 0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.931 13.894 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.468 11.988 2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.446 13.736 2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.461 12.133 0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.753 12.805 2.151 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.917 15.028 0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.471 12.612 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.429 13.802 -0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.164 16.390 -0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.706 15.883 -1.071 1.00 0.00 H new ATOM 1213 N ALA A 79 -11.320 9.779 0.493 1.00 0.00 N ATOM 1214 CA ALA A 79 -12.265 8.695 0.893 1.00 0.00 C ATOM 1215 C ALA A 79 -12.558 8.533 2.426 1.00 0.00 C ATOM 1216 O ALA A 79 -11.769 8.946 3.288 1.00 0.00 O ATOM 1217 CB ALA A 79 -11.704 7.417 0.243 1.00 0.00 C ATOM 0 H ALA A 79 -10.472 9.820 1.058 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.264 8.950 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.345 6.571 0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.672 7.543 -0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.697 7.231 0.617 1.00 0.00 H new ATOM 1223 N ALA A 80 -13.715 7.922 2.744 1.00 0.00 N ATOM 1224 CA ALA A 80 -14.159 7.641 4.139 1.00 0.00 C ATOM 1225 C ALA A 80 -14.200 6.121 4.561 1.00 0.00 C ATOM 1226 O ALA A 80 -13.635 5.765 5.599 1.00 0.00 O ATOM 1227 CB ALA A 80 -15.550 8.302 4.285 1.00 0.00 C ATOM 0 H ALA A 80 -14.380 7.603 2.039 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.415 8.053 4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.931 8.130 5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -15.464 9.374 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.237 7.868 3.558 1.00 0.00 H new ATOM 1233 N SER A 81 -14.893 5.250 3.792 1.00 0.00 N ATOM 1234 CA SER A 81 -15.020 3.774 4.059 1.00 0.00 C ATOM 1235 C SER A 81 -14.433 2.876 2.896 1.00 0.00 C ATOM 1236 O SER A 81 -13.828 3.388 1.950 1.00 0.00 O ATOM 1237 CB SER A 81 -16.529 3.491 4.332 1.00 0.00 C ATOM 1238 OG SER A 81 -17.035 4.276 5.414 1.00 0.00 O ATOM 0 H SER A 81 -15.392 5.544 2.953 1.00 0.00 H new ATOM 0 HA SER A 81 -14.418 3.502 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.106 3.701 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.664 2.433 4.558 1.00 0.00 H new ATOM 0 HG SER A 81 -17.983 4.071 5.552 1.00 0.00 H new ATOM 1244 N VAL A 82 -14.614 1.536 2.925 1.00 0.00 N ATOM 1245 CA VAL A 82 -14.307 0.642 1.747 1.00 0.00 C ATOM 1246 C VAL A 82 -15.076 1.056 0.434 1.00 0.00 C ATOM 1247 O VAL A 82 -14.412 1.388 -0.554 1.00 0.00 O ATOM 1248 CB VAL A 82 -14.467 -0.866 2.185 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -14.522 -1.908 1.035 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -13.375 -1.367 3.168 1.00 0.00 C ATOM 0 H VAL A 82 -14.969 1.036 3.740 1.00 0.00 H new ATOM 0 HA VAL A 82 -13.266 0.775 1.452 1.00 0.00 H new ATOM 0 HB VAL A 82 -15.441 -0.817 2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -14.633 -2.908 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -15.371 -1.690 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.601 -1.858 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.561 -2.412 3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.395 -1.274 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.402 -0.767 4.078 1.00 0.00 H new ATOM 1260 N GLU A 83 -16.423 1.088 0.427 1.00 0.00 N ATOM 1261 CA GLU A 83 -17.238 1.646 -0.695 1.00 0.00 C ATOM 1262 C GLU A 83 -16.852 3.060 -1.294 1.00 0.00 C ATOM 1263 O GLU A 83 -16.725 3.165 -2.518 1.00 0.00 O ATOM 1264 CB GLU A 83 -18.742 1.503 -0.324 1.00 0.00 C ATOM 1265 CG GLU A 83 -19.253 2.200 0.975 1.00 0.00 C ATOM 1266 CD GLU A 83 -19.499 1.277 2.162 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -18.516 0.884 2.829 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -20.675 0.954 2.438 1.00 0.00 O ATOM 0 H GLU A 83 -16.988 0.729 1.197 1.00 0.00 H new ATOM 0 HA GLU A 83 -16.985 1.038 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -19.328 1.886 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.964 0.439 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.526 2.957 1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -20.182 2.722 0.745 1.00 0.00 H new ATOM 1275 N GLU A 84 -16.569 4.115 -0.485 1.00 0.00 N ATOM 1276 CA GLU A 84 -16.044 5.436 -1.001 1.00 0.00 C ATOM 1277 C GLU A 84 -14.788 5.361 -1.962 1.00 0.00 C ATOM 1278 O GLU A 84 -14.748 6.069 -2.964 1.00 0.00 O ATOM 1279 CB GLU A 84 -15.866 6.499 0.148 1.00 0.00 C ATOM 1280 CG GLU A 84 -16.884 7.691 0.214 1.00 0.00 C ATOM 1281 CD GLU A 84 -16.377 9.142 0.139 1.00 0.00 C ATOM 1282 OE1 GLU A 84 -15.581 9.551 1.012 1.00 0.00 O ATOM 1283 OE2 GLU A 84 -16.827 9.914 -0.737 1.00 0.00 O ATOM 0 H GLU A 84 -16.691 4.090 0.527 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.839 5.786 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.908 5.971 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.864 6.920 0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.596 7.554 -0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.441 7.590 1.145 1.00 0.00 H new ATOM 1290 N ALA A 85 -13.783 4.504 -1.691 1.00 0.00 N ATOM 1291 CA ALA A 85 -12.669 4.222 -2.651 1.00 0.00 C ATOM 1292 C ALA A 85 -12.861 3.080 -3.728 1.00 0.00 C ATOM 1293 O ALA A 85 -12.118 3.085 -4.722 1.00 0.00 O ATOM 1294 CB ALA A 85 -11.407 4.087 -1.780 1.00 0.00 C ATOM 0 H ALA A 85 -13.710 3.988 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.608 5.053 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.547 3.879 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.240 5.016 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.540 3.270 -1.071 1.00 0.00 H new ATOM 1300 N VAL A 86 -13.828 2.152 -3.606 1.00 0.00 N ATOM 1301 CA VAL A 86 -14.188 1.177 -4.691 1.00 0.00 C ATOM 1302 C VAL A 86 -14.919 1.842 -5.906 1.00 0.00 C ATOM 1303 O VAL A 86 -14.454 1.679 -7.040 1.00 0.00 O ATOM 1304 CB VAL A 86 -14.923 -0.079 -4.098 1.00 0.00 C ATOM 1305 CG1 VAL A 86 -15.426 -1.091 -5.160 1.00 0.00 C ATOM 1306 CG2 VAL A 86 -14.014 -0.881 -3.136 1.00 0.00 C ATOM 0 H VAL A 86 -14.389 2.044 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 86 -13.258 0.810 -5.124 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.779 0.356 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.920 -1.925 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -16.132 -0.597 -5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.580 -1.463 -5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.562 -1.740 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.130 -1.226 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.709 -0.243 -2.307 1.00 0.00 H new ATOM 1316 N ASP A 87 -16.015 2.598 -5.703 1.00 0.00 N ATOM 1317 CA ASP A 87 -16.760 3.264 -6.815 1.00 0.00 C ATOM 1318 C ASP A 87 -15.943 4.303 -7.668 1.00 0.00 C ATOM 1319 O ASP A 87 -16.057 4.318 -8.898 1.00 0.00 O ATOM 1320 CB ASP A 87 -18.099 3.824 -6.249 1.00 0.00 C ATOM 1321 CG ASP A 87 -19.210 2.778 -6.104 1.00 0.00 C ATOM 1322 OD1 ASP A 87 -19.115 1.902 -5.221 1.00 0.00 O ATOM 1323 OD2 ASP A 87 -20.191 2.837 -6.874 1.00 0.00 O ATOM 0 H ASP A 87 -16.414 2.770 -4.780 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.970 2.501 -7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.908 4.272 -5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.451 4.622 -6.903 1.00 0.00 H new ATOM 1328 N ILE A 88 -15.048 5.130 -7.084 1.00 0.00 N ATOM 1329 CA ILE A 88 -13.987 5.860 -7.848 1.00 0.00 C ATOM 1330 C ILE A 88 -12.895 4.977 -8.548 1.00 0.00 C ATOM 1331 O ILE A 88 -12.507 5.339 -9.650 1.00 0.00 O ATOM 1332 CB ILE A 88 -13.318 7.058 -7.066 1.00 0.00 C ATOM 1333 CG1 ILE A 88 -13.040 6.778 -5.570 1.00 0.00 C ATOM 1334 CG2 ILE A 88 -14.153 8.353 -7.228 1.00 0.00 C ATOM 1335 CD1 ILE A 88 -11.862 7.533 -4.937 1.00 0.00 C ATOM 0 H ILE A 88 -15.032 5.316 -6.081 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.582 6.282 -8.658 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.338 7.188 -7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.941 7.017 -5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.863 5.709 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.674 9.165 -6.681 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.217 8.615 -8.284 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.156 8.191 -6.833 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.771 7.251 -3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.942 7.278 -5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.036 8.606 -5.011 1.00 0.00 H new ATOM 1347 N ALA A 89 -12.409 3.848 -8.000 1.00 0.00 N ATOM 1348 CA ALA A 89 -11.615 2.858 -8.784 1.00 0.00 C ATOM 1349 C ALA A 89 -12.332 2.188 -10.028 1.00 0.00 C ATOM 1350 O ALA A 89 -11.729 2.075 -11.092 1.00 0.00 O ATOM 1351 CB ALA A 89 -11.060 1.835 -7.773 1.00 0.00 C ATOM 0 H ALA A 89 -12.546 3.591 -7.023 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.816 3.399 -9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.469 1.086 -8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.431 2.347 -7.045 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.887 1.347 -7.258 1.00 0.00 H new ATOM 1357 N ALA A 90 -13.621 1.812 -9.915 1.00 0.00 N ATOM 1358 CA ALA A 90 -14.485 1.452 -11.079 1.00 0.00 C ATOM 1359 C ALA A 90 -14.822 2.613 -12.096 1.00 0.00 C ATOM 1360 O ALA A 90 -14.834 2.386 -13.309 1.00 0.00 O ATOM 1361 CB ALA A 90 -15.753 0.786 -10.509 1.00 0.00 C ATOM 0 H ALA A 90 -14.102 1.746 -9.018 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.913 0.772 -11.711 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.416 0.505 -11.328 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.474 -0.105 -9.946 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -16.267 1.486 -9.850 1.00 0.00 H new ATOM 1367 N SER A 91 -15.078 3.852 -11.634 1.00 0.00 N ATOM 1368 CA SER A 91 -15.121 5.056 -12.522 1.00 0.00 C ATOM 1369 C SER A 91 -13.767 5.610 -13.088 1.00 0.00 C ATOM 1370 O SER A 91 -13.801 6.426 -14.020 1.00 0.00 O ATOM 1371 CB SER A 91 -15.924 6.176 -11.816 1.00 0.00 C ATOM 1372 OG SER A 91 -16.058 7.327 -12.662 1.00 0.00 O ATOM 0 H SER A 91 -15.260 4.057 -10.652 1.00 0.00 H new ATOM 0 HA SER A 91 -15.612 4.698 -13.427 1.00 0.00 H new ATOM 0 HB2 SER A 91 -16.912 5.804 -11.544 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.424 6.458 -10.890 1.00 0.00 H new ATOM 0 HG SER A 91 -15.413 7.269 -13.398 1.00 0.00 H new ATOM 1378 N LEU A 92 -12.606 5.217 -12.553 1.00 0.00 N ATOM 1379 CA LEU A 92 -11.280 5.396 -13.219 1.00 0.00 C ATOM 1380 C LEU A 92 -10.810 4.209 -14.160 1.00 0.00 C ATOM 1381 O LEU A 92 -9.941 4.442 -15.005 1.00 0.00 O ATOM 1382 CB LEU A 92 -10.275 5.780 -12.097 1.00 0.00 C ATOM 1383 CG LEU A 92 -10.445 7.205 -11.470 1.00 0.00 C ATOM 1384 CD1 LEU A 92 -9.797 7.292 -10.071 1.00 0.00 C ATOM 1385 CD2 LEU A 92 -9.816 8.284 -12.365 1.00 0.00 C ATOM 0 H LEU A 92 -12.543 4.762 -11.642 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.352 6.195 -13.957 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.356 5.043 -11.298 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.266 5.702 -12.501 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.518 7.378 -11.382 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.935 8.295 -9.668 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.266 6.566 -9.407 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.731 7.076 -10.149 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.950 9.263 -11.904 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.752 8.082 -12.485 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.300 8.274 -13.342 1.00 0.00 H new ATOM 1397 N ASP A 93 -11.396 2.990 -14.055 1.00 0.00 N ATOM 1398 CA ASP A 93 -11.195 1.837 -14.991 1.00 0.00 C ATOM 1399 C ASP A 93 -9.884 1.019 -14.728 1.00 0.00 C ATOM 1400 O ASP A 93 -9.952 -0.132 -14.284 1.00 0.00 O ATOM 1401 CB ASP A 93 -11.537 2.200 -16.469 1.00 0.00 C ATOM 1402 CG ASP A 93 -12.141 1.094 -17.342 1.00 0.00 C ATOM 1403 OD1 ASP A 93 -12.849 0.208 -16.821 1.00 0.00 O ATOM 1404 OD2 ASP A 93 -11.951 1.142 -18.574 1.00 0.00 O ATOM 0 H ASP A 93 -12.042 2.768 -13.297 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.949 1.088 -14.749 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.233 3.039 -16.458 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.624 2.549 -16.951 1.00 0.00 H new ATOM 1409 N ALA A 94 -8.711 1.664 -14.925 1.00 0.00 N ATOM 1410 CA ALA A 94 -7.402 1.344 -14.264 1.00 0.00 C ATOM 1411 C ALA A 94 -7.085 -0.103 -13.749 1.00 0.00 C ATOM 1412 O ALA A 94 -7.749 -0.568 -12.820 1.00 0.00 O ATOM 1413 CB ALA A 94 -7.266 2.354 -13.106 1.00 0.00 C ATOM 0 H ALA A 94 -8.636 2.451 -15.569 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.669 1.413 -15.068 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.329 2.178 -12.578 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.272 3.368 -13.505 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.100 2.231 -12.416 1.00 0.00 H new ATOM 1419 N GLU A 95 -6.095 -0.803 -14.330 1.00 0.00 N ATOM 1420 CA GLU A 95 -5.763 -2.245 -14.046 1.00 0.00 C ATOM 1421 C GLU A 95 -5.973 -2.770 -12.575 1.00 0.00 C ATOM 1422 O GLU A 95 -6.910 -3.538 -12.316 1.00 0.00 O ATOM 1423 CB GLU A 95 -4.323 -2.426 -14.608 1.00 0.00 C ATOM 1424 CG GLU A 95 -3.778 -3.875 -14.728 1.00 0.00 C ATOM 1425 CD GLU A 95 -4.205 -4.676 -15.946 1.00 0.00 C ATOM 1426 OE1 GLU A 95 -5.408 -4.976 -16.087 1.00 0.00 O ATOM 1427 OE2 GLU A 95 -3.321 -5.050 -16.748 1.00 0.00 O ATOM 0 H GLU A 95 -5.478 -0.389 -15.029 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.491 -2.892 -14.535 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.288 -1.970 -15.598 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.640 -1.861 -13.973 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.689 -3.829 -14.718 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.082 -4.425 -13.838 1.00 0.00 H new ATOM 1434 N THR A 96 -5.212 -2.243 -11.604 1.00 0.00 N ATOM 1435 CA THR A 96 -5.437 -2.484 -10.150 1.00 0.00 C ATOM 1436 C THR A 96 -5.040 -1.263 -9.250 1.00 0.00 C ATOM 1437 O THR A 96 -3.970 -0.669 -9.413 1.00 0.00 O ATOM 1438 CB THR A 96 -4.800 -3.831 -9.684 1.00 0.00 C ATOM 1439 OG1 THR A 96 -5.070 -4.069 -8.304 1.00 0.00 O ATOM 1440 CG2 THR A 96 -3.290 -4.003 -9.867 1.00 0.00 C ATOM 0 H THR A 96 -4.417 -1.633 -11.795 1.00 0.00 H new ATOM 0 HA THR A 96 -6.514 -2.587 -10.014 1.00 0.00 H new ATOM 0 HB THR A 96 -5.276 -4.545 -10.356 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.664 -4.919 -8.033 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.988 -4.984 -9.500 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.040 -3.918 -10.924 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.765 -3.229 -9.307 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.897 -0.909 -8.270 1.00 0.00 N ATOM 1449 CA ALA A 97 -5.607 0.175 -7.288 1.00 0.00 C ATOM 1450 C ALA A 97 -4.828 -0.331 -6.028 1.00 0.00 C ATOM 1451 O ALA A 97 -5.058 -1.438 -5.528 1.00 0.00 O ATOM 1452 CB ALA A 97 -6.972 0.788 -6.927 1.00 0.00 C ATOM 0 H ALA A 97 -6.803 -1.357 -8.131 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.940 0.920 -7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.830 1.594 -6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.442 1.185 -7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.612 0.020 -6.492 1.00 0.00 H new ATOM 1458 N TYR A 98 -3.897 0.479 -5.505 1.00 0.00 N ATOM 1459 CA TYR A 98 -2.808 -0.033 -4.607 1.00 0.00 C ATOM 1460 C TYR A 98 -2.761 0.700 -3.222 1.00 0.00 C ATOM 1461 O TYR A 98 -2.552 1.916 -3.159 1.00 0.00 O ATOM 1462 CB TYR A 98 -1.394 -0.076 -5.286 1.00 0.00 C ATOM 1463 CG TYR A 98 -1.200 0.393 -6.728 1.00 0.00 C ATOM 1464 CD1 TYR A 98 -1.210 1.772 -6.987 1.00 0.00 C ATOM 1465 CD2 TYR A 98 -1.075 -0.501 -7.788 1.00 0.00 C ATOM 1466 CE1 TYR A 98 -1.092 2.234 -8.292 1.00 0.00 C ATOM 1467 CE2 TYR A 98 -0.927 -0.039 -9.093 1.00 0.00 C ATOM 1468 CZ TYR A 98 -0.933 1.341 -9.335 1.00 0.00 C ATOM 1469 OH TYR A 98 -0.708 1.810 -10.593 1.00 0.00 O ATOM 0 H TYR A 98 -3.860 1.484 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.081 -1.070 -4.411 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.723 0.516 -4.664 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.047 -1.108 -5.236 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.309 2.474 -6.172 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.093 -1.564 -7.596 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.125 3.295 -8.492 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.809 -0.736 -9.909 1.00 0.00 H new ATOM 0 HH TYR A 98 0.168 1.502 -10.905 1.00 0.00 H new ATOM 1479 N VAL A 99 -2.887 -0.051 -2.114 1.00 0.00 N ATOM 1480 CA VAL A 99 -2.946 0.513 -0.727 1.00 0.00 C ATOM 1481 C VAL A 99 -1.501 0.583 -0.127 1.00 0.00 C ATOM 1482 O VAL A 99 -0.952 -0.422 0.333 1.00 0.00 O ATOM 1483 CB VAL A 99 -3.949 -0.289 0.185 1.00 0.00 C ATOM 1484 CG1 VAL A 99 -4.173 0.343 1.577 1.00 0.00 C ATOM 1485 CG2 VAL A 99 -5.376 -0.504 -0.384 1.00 0.00 C ATOM 0 H VAL A 99 -2.952 -1.069 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.339 1.529 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.425 -1.243 0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.875 -0.267 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.224 0.395 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.578 1.348 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.973 -1.068 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.845 0.463 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.315 -1.059 -1.320 1.00 0.00 H new ATOM 1495 N ILE A 100 -0.906 1.786 -0.098 1.00 0.00 N ATOM 1496 CA ILE A 100 0.420 2.055 0.572 1.00 0.00 C ATOM 1497 C ILE A 100 0.512 1.734 2.112 1.00 0.00 C ATOM 1498 O ILE A 100 1.476 1.104 2.560 1.00 0.00 O ATOM 1499 CB ILE A 100 0.874 3.531 0.184 1.00 0.00 C ATOM 1500 CG1 ILE A 100 1.790 3.619 -1.072 1.00 0.00 C ATOM 1501 CG2 ILE A 100 1.561 4.392 1.293 1.00 0.00 C ATOM 1502 CD1 ILE A 100 1.143 3.247 -2.412 1.00 0.00 C ATOM 0 H ILE A 100 -1.314 2.614 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 100 1.134 1.328 0.185 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.111 3.955 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.171 4.638 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.650 2.968 -0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.816 5.371 0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.879 4.514 2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.469 3.892 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.878 3.347 -3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.789 2.217 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.302 3.913 -2.607 1.00 0.00 H new ATOM 1514 N GLY A 101 -0.440 2.244 2.905 1.00 0.00 N ATOM 1515 CA GLY A 101 -0.257 2.441 4.369 1.00 0.00 C ATOM 1516 C GLY A 101 -0.402 3.929 4.856 1.00 0.00 C ATOM 1517 O GLY A 101 -0.745 4.833 4.093 1.00 0.00 O ATOM 0 H GLY A 101 -1.356 2.533 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.986 1.827 4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.731 2.076 4.650 1.00 0.00 H new ATOM 1521 N GLY A 102 -0.163 4.318 6.115 1.00 0.00 N ATOM 1522 CA GLY A 102 0.235 3.401 7.223 1.00 0.00 C ATOM 1523 C GLY A 102 -0.905 2.546 7.845 1.00 0.00 C ATOM 1524 O GLY A 102 -1.971 2.353 7.249 1.00 0.00 O ATOM 0 H GLY A 102 -0.238 5.291 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.006 2.726 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 102 0.689 3.997 8.015 1.00 0.00 H new ATOM 1528 N ALA A 103 -0.678 2.011 9.051 1.00 0.00 N ATOM 1529 CA ALA A 103 -1.491 0.887 9.592 1.00 0.00 C ATOM 1530 C ALA A 103 -3.044 1.017 9.722 1.00 0.00 C ATOM 1531 O ALA A 103 -3.736 0.064 9.361 1.00 0.00 O ATOM 1532 CB ALA A 103 -0.877 0.414 10.908 1.00 0.00 C ATOM 0 H ALA A 103 0.059 2.330 9.679 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.429 0.155 8.787 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.468 -0.409 11.310 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.144 0.076 10.732 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.869 1.237 11.622 1.00 0.00 H new ATOM 1538 N ALA A 104 -3.619 2.150 10.186 1.00 0.00 N ATOM 1539 CA ALA A 104 -5.101 2.353 10.160 1.00 0.00 C ATOM 1540 C ALA A 104 -5.840 2.285 8.773 1.00 0.00 C ATOM 1541 O ALA A 104 -7.027 1.950 8.729 1.00 0.00 O ATOM 1542 CB ALA A 104 -5.406 3.673 10.891 1.00 0.00 C ATOM 0 H ALA A 104 -3.095 2.932 10.579 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.517 1.479 10.662 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.482 3.850 10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.050 3.610 11.919 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.902 4.495 10.383 1.00 0.00 H new ATOM 1548 N ILE A 105 -5.142 2.583 7.664 1.00 0.00 N ATOM 1549 CA ILE A 105 -5.651 2.345 6.275 1.00 0.00 C ATOM 1550 C ILE A 105 -5.555 0.823 5.862 1.00 0.00 C ATOM 1551 O ILE A 105 -6.550 0.252 5.415 1.00 0.00 O ATOM 1552 CB ILE A 105 -4.993 3.362 5.267 1.00 0.00 C ATOM 1553 CG1 ILE A 105 -4.980 4.858 5.711 1.00 0.00 C ATOM 1554 CG2 ILE A 105 -5.594 3.270 3.838 1.00 0.00 C ATOM 1555 CD1 ILE A 105 -6.309 5.443 6.237 1.00 0.00 C ATOM 0 H ILE A 105 -4.209 2.995 7.690 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.720 2.553 6.241 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.955 3.031 5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.227 4.974 6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.656 5.461 4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.101 3.994 3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.441 2.266 3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.662 3.486 3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.163 6.488 6.511 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.070 5.374 5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.633 4.880 7.112 1.00 0.00 H new ATOM 1567 N TYR A 106 -4.390 0.162 6.067 1.00 0.00 N ATOM 1568 CA TYR A 106 -4.252 -1.333 6.012 1.00 0.00 C ATOM 1569 C TYR A 106 -5.359 -2.175 6.752 1.00 0.00 C ATOM 1570 O TYR A 106 -5.999 -3.026 6.132 1.00 0.00 O ATOM 1571 CB TYR A 106 -2.801 -1.705 6.485 1.00 0.00 C ATOM 1572 CG TYR A 106 -1.924 -2.406 5.438 1.00 0.00 C ATOM 1573 CD1 TYR A 106 -1.908 -3.803 5.347 1.00 0.00 C ATOM 1574 CD2 TYR A 106 -1.109 -1.652 4.583 1.00 0.00 C ATOM 1575 CE1 TYR A 106 -1.112 -4.436 4.393 1.00 0.00 C ATOM 1576 CE2 TYR A 106 -0.321 -2.287 3.624 1.00 0.00 C ATOM 1577 CZ TYR A 106 -0.334 -3.676 3.524 1.00 0.00 C ATOM 1578 OH TYR A 106 0.371 -4.292 2.525 1.00 0.00 O ATOM 0 H TYR A 106 -3.514 0.640 6.276 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.418 -1.621 4.974 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.297 -0.793 6.804 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.877 -2.350 7.360 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.515 -4.393 6.018 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.091 -0.575 4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.099 -5.514 4.328 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.298 -1.703 2.960 1.00 0.00 H new ATOM 0 HH TYR A 106 0.861 -3.619 2.007 1.00 0.00 H new ATOM 1588 N ALA A 107 -5.643 -1.897 8.044 1.00 0.00 N ATOM 1589 CA ALA A 107 -6.742 -2.532 8.820 1.00 0.00 C ATOM 1590 C ALA A 107 -8.177 -2.581 8.192 1.00 0.00 C ATOM 1591 O ALA A 107 -8.776 -3.656 8.148 1.00 0.00 O ATOM 1592 CB ALA A 107 -6.749 -1.808 10.183 1.00 0.00 C ATOM 0 H ALA A 107 -5.111 -1.217 8.588 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.518 -3.598 8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.536 -2.224 10.812 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -5.784 -1.944 10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.931 -0.744 10.029 1.00 0.00 H new ATOM 1598 N LEU A 108 -8.737 -1.451 7.717 1.00 0.00 N ATOM 1599 CA LEU A 108 -10.072 -1.455 7.043 1.00 0.00 C ATOM 1600 C LEU A 108 -10.135 -2.091 5.609 1.00 0.00 C ATOM 1601 O LEU A 108 -11.161 -2.692 5.268 1.00 0.00 O ATOM 1602 CB LEU A 108 -10.744 -0.053 7.205 1.00 0.00 C ATOM 1603 CG LEU A 108 -10.282 1.142 6.317 1.00 0.00 C ATOM 1604 CD1 LEU A 108 -10.978 1.182 4.942 1.00 0.00 C ATOM 1605 CD2 LEU A 108 -10.610 2.480 7.002 1.00 0.00 C ATOM 0 H LEU A 108 -8.301 -0.531 7.781 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.692 -2.180 7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.813 -0.185 7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.618 0.248 8.245 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.210 0.998 6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.612 2.037 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.760 0.264 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.055 1.274 5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.281 3.303 6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.686 2.553 7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.096 2.533 7.962 1.00 0.00 H new ATOM 1617 N PHE A 109 -9.076 -1.951 4.795 1.00 0.00 N ATOM 1618 CA PHE A 109 -9.008 -2.517 3.422 1.00 0.00 C ATOM 1619 C PHE A 109 -8.674 -4.039 3.277 1.00 0.00 C ATOM 1620 O PHE A 109 -9.211 -4.664 2.355 1.00 0.00 O ATOM 1621 CB PHE A 109 -8.078 -1.590 2.580 1.00 0.00 C ATOM 1622 CG PHE A 109 -8.852 -0.665 1.630 1.00 0.00 C ATOM 1623 CD1 PHE A 109 -9.510 -1.233 0.530 1.00 0.00 C ATOM 1624 CD2 PHE A 109 -9.002 0.698 1.891 1.00 0.00 C ATOM 1625 CE1 PHE A 109 -10.373 -0.467 -0.237 1.00 0.00 C ATOM 1626 CE2 PHE A 109 -9.844 1.470 1.096 1.00 0.00 C ATOM 1627 CZ PHE A 109 -10.545 0.878 0.045 1.00 0.00 C ATOM 0 H PHE A 109 -8.235 -1.441 5.065 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.027 -2.520 3.034 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -7.472 -0.984 3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.391 -2.205 1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -9.344 -2.270 0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.465 1.153 2.710 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -10.912 -0.919 -1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -9.955 2.526 1.292 1.00 0.00 H new ATOM 0 HZ PHE A 109 -11.224 1.470 -0.551 1.00 0.00 H new ATOM 1637 N GLN A 110 -7.829 -4.642 4.138 1.00 0.00 N ATOM 1638 CA GLN A 110 -7.468 -6.095 4.063 1.00 0.00 C ATOM 1639 C GLN A 110 -8.604 -7.199 3.920 1.00 0.00 C ATOM 1640 O GLN A 110 -8.366 -8.124 3.138 1.00 0.00 O ATOM 1641 CB GLN A 110 -6.332 -6.411 5.076 1.00 0.00 C ATOM 1642 CG GLN A 110 -6.667 -6.311 6.585 1.00 0.00 C ATOM 1643 CD GLN A 110 -5.481 -6.342 7.556 1.00 0.00 C ATOM 1644 OE1 GLN A 110 -4.336 -6.021 7.267 1.00 0.00 O ATOM 1645 NE2 GLN A 110 -5.727 -6.711 8.782 1.00 0.00 N ATOM 0 H GLN A 110 -7.373 -4.149 4.906 1.00 0.00 H new ATOM 0 HA GLN A 110 -7.095 -6.215 3.046 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.977 -7.422 4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.502 -5.735 4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -7.219 -5.386 6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -7.337 -7.132 6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -6.672 -6.984 9.053 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -4.975 -6.727 9.471 1.00 0.00 H new ATOM 1654 N PRO A 111 -9.857 -7.134 4.477 1.00 0.00 N ATOM 1655 CA PRO A 111 -10.976 -8.038 4.049 1.00 0.00 C ATOM 1656 C PRO A 111 -11.507 -7.990 2.569 1.00 0.00 C ATOM 1657 O PRO A 111 -12.210 -8.912 2.153 1.00 0.00 O ATOM 1658 CB PRO A 111 -12.076 -7.679 5.073 1.00 0.00 C ATOM 1659 CG PRO A 111 -11.313 -7.137 6.286 1.00 0.00 C ATOM 1660 CD PRO A 111 -10.197 -6.309 5.654 1.00 0.00 C ATOM 0 HA PRO A 111 -10.615 -9.066 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -12.763 -6.934 4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -12.672 -8.553 5.337 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.953 -6.529 6.925 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -10.916 -7.942 6.905 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -10.534 -5.311 5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -9.348 -6.182 6.326 1.00 0.00 H new ATOM 1668 N HIS A 112 -11.226 -6.920 1.805 1.00 0.00 N ATOM 1669 CA HIS A 112 -11.685 -6.752 0.386 1.00 0.00 C ATOM 1670 C HIS A 112 -10.586 -6.806 -0.742 1.00 0.00 C ATOM 1671 O HIS A 112 -10.950 -6.761 -1.917 1.00 0.00 O ATOM 1672 CB HIS A 112 -12.458 -5.393 0.388 1.00 0.00 C ATOM 1673 CG HIS A 112 -13.412 -5.143 -0.784 1.00 0.00 C ATOM 1674 ND1 HIS A 112 -14.783 -5.325 -0.691 1.00 0.00 N ATOM 1675 CD2 HIS A 112 -13.078 -4.675 -2.071 1.00 0.00 C ATOM 1676 CE1 HIS A 112 -15.177 -4.943 -1.951 1.00 0.00 C ATOM 1677 NE2 HIS A 112 -14.222 -4.539 -2.845 1.00 0.00 N ATOM 0 H HIS A 112 -10.671 -6.134 2.143 1.00 0.00 H new ATOM 0 HA HIS A 112 -12.292 -7.614 0.111 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.031 -5.329 1.313 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.726 -4.585 0.410 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.076 -4.454 -2.407 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -16.220 -4.961 -2.231 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -14.323 -4.226 -3.810 1.00 0.00 H new ATOM 1686 N LEU A 113 -9.285 -6.825 -0.430 1.00 0.00 N ATOM 1687 CA LEU A 113 -8.203 -6.925 -1.452 1.00 0.00 C ATOM 1688 C LEU A 113 -7.724 -8.395 -1.619 1.00 0.00 C ATOM 1689 O LEU A 113 -7.166 -9.009 -0.709 1.00 0.00 O ATOM 1690 CB LEU A 113 -7.085 -5.889 -1.163 1.00 0.00 C ATOM 1691 CG LEU A 113 -6.423 -5.847 0.240 1.00 0.00 C ATOM 1692 CD1 LEU A 113 -5.100 -6.617 0.320 1.00 0.00 C ATOM 1693 CD2 LEU A 113 -6.164 -4.394 0.629 1.00 0.00 C ATOM 0 H LEU A 113 -8.940 -6.772 0.528 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.593 -6.655 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.292 -6.053 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -7.499 -4.900 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.119 -6.332 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.696 -6.543 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.273 -7.665 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.388 -6.192 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.699 -4.358 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.500 -3.934 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.108 -3.850 0.654 1.00 0.00 H new ATOM 1705 N ASP A 114 -7.976 -8.944 -2.808 1.00 0.00 N ATOM 1706 CA ASP A 114 -7.588 -10.334 -3.172 1.00 0.00 C ATOM 1707 C ASP A 114 -6.044 -10.597 -3.448 1.00 0.00 C ATOM 1708 O ASP A 114 -5.612 -11.745 -3.386 1.00 0.00 O ATOM 1709 CB ASP A 114 -8.567 -10.791 -4.293 1.00 0.00 C ATOM 1710 CG ASP A 114 -10.069 -10.669 -3.964 1.00 0.00 C ATOM 1711 OD1 ASP A 114 -10.630 -11.578 -3.312 1.00 0.00 O ATOM 1712 OD2 ASP A 114 -10.660 -9.612 -4.289 1.00 0.00 O ATOM 0 H ASP A 114 -8.456 -8.447 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.698 -10.975 -2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.362 -10.205 -5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.351 -11.831 -4.536 1.00 0.00 H new ATOM 1717 N ARG A 115 -5.193 -9.570 -3.682 1.00 0.00 N ATOM 1718 CA ARG A 115 -3.700 -9.717 -3.738 1.00 0.00 C ATOM 1719 C ARG A 115 -2.925 -8.908 -2.619 1.00 0.00 C ATOM 1720 O ARG A 115 -3.408 -7.892 -2.108 1.00 0.00 O ATOM 1721 CB ARG A 115 -3.231 -9.276 -5.154 1.00 0.00 C ATOM 1722 CG ARG A 115 -3.397 -10.316 -6.281 1.00 0.00 C ATOM 1723 CD ARG A 115 -2.755 -9.830 -7.597 1.00 0.00 C ATOM 1724 NE ARG A 115 -2.592 -10.949 -8.572 1.00 0.00 N ATOM 1725 CZ ARG A 115 -1.558 -11.798 -8.616 1.00 0.00 C ATOM 1726 NH1 ARG A 115 -0.543 -11.754 -7.806 1.00 0.00 N ATOM 1727 NH2 ARG A 115 -1.545 -12.727 -9.512 1.00 0.00 N ATOM 0 H ARG A 115 -5.511 -8.614 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.462 -10.763 -3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.782 -8.378 -5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -2.178 -8.999 -5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -2.940 -11.258 -5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.457 -10.513 -6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -3.374 -9.049 -8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.783 -9.385 -7.386 1.00 0.00 H new ATOM 0 HE ARG A 115 -3.331 -11.077 -9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -0.501 -11.039 -7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.212 -12.434 -7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.316 -12.807 -10.175 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -0.764 -13.381 -9.557 1.00 0.00 H new ATOM 1741 N MET A 116 -1.667 -9.292 -2.290 1.00 0.00 N ATOM 1742 CA MET A 116 -0.774 -8.513 -1.360 1.00 0.00 C ATOM 1743 C MET A 116 0.704 -8.486 -1.896 1.00 0.00 C ATOM 1744 O MET A 116 1.184 -9.511 -2.384 1.00 0.00 O ATOM 1745 CB MET A 116 -0.889 -9.087 0.088 1.00 0.00 C ATOM 1746 CG MET A 116 -0.700 -8.053 1.223 1.00 0.00 C ATOM 1747 SD MET A 116 0.812 -8.311 2.163 1.00 0.00 S ATOM 1748 CE MET A 116 0.211 -9.309 3.538 1.00 0.00 C ATOM 0 H MET A 116 -1.234 -10.142 -2.652 1.00 0.00 H new ATOM 0 HA MET A 116 -1.102 -7.474 -1.323 1.00 0.00 H new ATOM 0 HB2 MET A 116 -1.869 -9.552 0.201 1.00 0.00 H new ATOM 0 HB3 MET A 116 -0.146 -9.876 0.209 1.00 0.00 H new ATOM 0 HG2 MET A 116 -0.689 -7.050 0.796 1.00 0.00 H new ATOM 0 HG3 MET A 116 -1.554 -8.102 1.898 1.00 0.00 H new ATOM 0 HE1 MET A 116 1.040 -9.546 4.205 1.00 0.00 H new ATOM 0 HE2 MET A 116 -0.549 -8.752 4.087 1.00 0.00 H new ATOM 0 HE3 MET A 116 -0.222 -10.233 3.155 1.00 0.00 H new ATOM 1758 N VAL A 117 1.430 -7.345 -1.880 1.00 0.00 N ATOM 1759 CA VAL A 117 2.794 -7.234 -2.521 1.00 0.00 C ATOM 1760 C VAL A 117 3.790 -6.391 -1.638 1.00 0.00 C ATOM 1761 O VAL A 117 4.060 -5.218 -1.921 1.00 0.00 O ATOM 1762 CB VAL A 117 2.720 -6.793 -4.041 1.00 0.00 C ATOM 1763 CG1 VAL A 117 1.694 -7.586 -4.881 1.00 0.00 C ATOM 1764 CG2 VAL A 117 2.452 -5.296 -4.309 1.00 0.00 C ATOM 0 H VAL A 117 1.111 -6.483 -1.437 1.00 0.00 H new ATOM 0 HA VAL A 117 3.223 -8.235 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 117 3.739 -7.022 -4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.706 -7.222 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.953 -8.645 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.698 -7.451 -4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.424 -5.118 -5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.496 -5.013 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.247 -4.699 -3.863 1.00 0.00 H new ATOM 1774 N LEU A 118 4.351 -6.946 -0.543 1.00 0.00 N ATOM 1775 CA LEU A 118 5.288 -6.195 0.353 1.00 0.00 C ATOM 1776 C LEU A 118 6.804 -6.371 0.004 1.00 0.00 C ATOM 1777 O LEU A 118 7.312 -7.480 -0.198 1.00 0.00 O ATOM 1778 CB LEU A 118 4.916 -6.341 1.859 1.00 0.00 C ATOM 1779 CG LEU A 118 5.098 -7.630 2.697 1.00 0.00 C ATOM 1780 CD1 LEU A 118 4.418 -8.854 2.088 1.00 0.00 C ATOM 1781 CD2 LEU A 118 6.555 -7.962 3.049 1.00 0.00 C ATOM 0 H LEU A 118 4.179 -7.908 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 118 5.132 -5.138 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.472 -5.563 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.860 -6.082 1.933 1.00 0.00 H new ATOM 0 HG LEU A 118 4.591 -7.387 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.587 -9.720 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.347 -8.670 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.834 -9.047 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.587 -8.880 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.129 -8.097 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.985 -7.145 3.629 1.00 0.00 H new ATOM 1793 N SER A 119 7.524 -5.240 -0.046 1.00 0.00 N ATOM 1794 CA SER A 119 9.001 -5.212 -0.152 1.00 0.00 C ATOM 1795 C SER A 119 9.647 -5.129 1.270 1.00 0.00 C ATOM 1796 O SER A 119 9.741 -4.054 1.879 1.00 0.00 O ATOM 1797 CB SER A 119 9.362 -3.976 -0.999 1.00 0.00 C ATOM 1798 OG SER A 119 9.151 -4.125 -2.402 1.00 0.00 O ATOM 0 H SER A 119 7.102 -4.312 -0.014 1.00 0.00 H new ATOM 0 HA SER A 119 9.381 -6.120 -0.620 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.775 -3.128 -0.646 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.410 -3.731 -0.828 1.00 0.00 H new ATOM 0 HG SER A 119 9.970 -4.463 -2.822 1.00 0.00 H new ATOM 1804 N ARG A 120 10.095 -6.260 1.830 1.00 0.00 N ATOM 1805 CA ARG A 120 10.725 -6.282 3.182 1.00 0.00 C ATOM 1806 C ARG A 120 12.222 -5.850 3.148 1.00 0.00 C ATOM 1807 O ARG A 120 12.957 -6.328 2.289 1.00 0.00 O ATOM 1808 CB ARG A 120 10.528 -7.702 3.766 1.00 0.00 C ATOM 1809 CG ARG A 120 11.006 -7.885 5.229 1.00 0.00 C ATOM 1810 CD ARG A 120 12.113 -8.931 5.373 1.00 0.00 C ATOM 1811 NE ARG A 120 11.561 -10.310 5.338 1.00 0.00 N ATOM 1812 CZ ARG A 120 11.500 -11.145 6.369 1.00 0.00 C ATOM 1813 NH1 ARG A 120 12.108 -10.964 7.519 1.00 0.00 N ATOM 1814 NH2 ARG A 120 10.775 -12.204 6.202 1.00 0.00 N ATOM 0 H ARG A 120 10.039 -7.174 1.381 1.00 0.00 H new ATOM 0 HA ARG A 120 10.243 -5.548 3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 120 9.469 -7.956 3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 120 11.060 -8.414 3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 120 11.366 -6.929 5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 120 10.157 -8.175 5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 120 12.840 -8.807 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 120 12.645 -8.774 6.311 1.00 0.00 H new ATOM 0 HE ARG A 120 11.198 -10.644 4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.679 -10.132 7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 120 12.010 -11.656 8.262 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.292 -12.357 5.317 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.687 -12.886 6.956 1.00 0.00 H new ATOM 1828 N VAL A 121 12.677 -4.993 4.074 1.00 0.00 N ATOM 1829 CA VAL A 121 14.084 -4.483 4.091 1.00 0.00 C ATOM 1830 C VAL A 121 14.857 -5.123 5.313 1.00 0.00 C ATOM 1831 O VAL A 121 14.794 -4.563 6.415 1.00 0.00 O ATOM 1832 CB VAL A 121 14.048 -2.915 4.031 1.00 0.00 C ATOM 1833 CG1 VAL A 121 15.453 -2.272 4.077 1.00 0.00 C ATOM 1834 CG2 VAL A 121 13.371 -2.341 2.755 1.00 0.00 C ATOM 0 H VAL A 121 12.098 -4.628 4.831 1.00 0.00 H new ATOM 0 HA VAL A 121 14.658 -4.790 3.216 1.00 0.00 H new ATOM 0 HB VAL A 121 13.464 -2.664 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 121 15.358 -1.187 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 121 15.952 -2.555 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 121 16.041 -2.620 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 121 13.388 -1.252 2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 121 13.911 -2.682 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.338 -2.686 2.704 1.00 0.00 H new ATOM 1844 N PRO A 122 15.589 -6.278 5.200 1.00 0.00 N ATOM 1845 CA PRO A 122 16.272 -6.913 6.361 1.00 0.00 C ATOM 1846 C PRO A 122 17.642 -6.255 6.739 1.00 0.00 C ATOM 1847 O PRO A 122 18.523 -6.057 5.895 1.00 0.00 O ATOM 1848 CB PRO A 122 16.386 -8.375 5.888 1.00 0.00 C ATOM 1849 CG PRO A 122 16.525 -8.298 4.366 1.00 0.00 C ATOM 1850 CD PRO A 122 15.675 -7.090 3.968 1.00 0.00 C ATOM 0 HA PRO A 122 15.728 -6.800 7.299 1.00 0.00 H new ATOM 0 HB2 PRO A 122 17.248 -8.867 6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 122 15.506 -8.951 6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 122 17.565 -8.168 4.068 1.00 0.00 H new ATOM 0 HG3 PRO A 122 16.168 -9.210 3.888 1.00 0.00 H new ATOM 0 HD2 PRO A 122 16.137 -6.530 3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 122 14.687 -7.396 3.624 1.00 0.00 H new ATOM 1935 N THR A 129 4.084 1.809 14.017 1.00 0.00 N ATOM 1936 CA THR A 129 2.853 1.071 13.607 1.00 0.00 C ATOM 1937 C THR A 129 3.053 -0.480 13.430 1.00 0.00 C ATOM 1938 O THR A 129 4.166 -0.963 13.223 1.00 0.00 O ATOM 1939 CB THR A 129 2.198 1.739 12.361 1.00 0.00 C ATOM 1940 OG1 THR A 129 3.044 1.744 11.219 1.00 0.00 O ATOM 1941 CG2 THR A 129 1.641 3.159 12.546 1.00 0.00 C ATOM 0 HA THR A 129 2.157 1.153 14.442 1.00 0.00 H new ATOM 0 HB THR A 129 1.340 1.084 12.208 1.00 0.00 H new ATOM 0 HG1 THR A 129 3.981 1.757 11.506 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.214 3.508 11.606 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.868 3.149 13.314 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.446 3.829 12.849 1.00 0.00 H new ATOM 1949 N TYR A 130 1.963 -1.271 13.532 1.00 0.00 N ATOM 1950 CA TYR A 130 2.032 -2.765 13.459 1.00 0.00 C ATOM 1951 C TYR A 130 0.928 -3.412 12.555 1.00 0.00 C ATOM 1952 O TYR A 130 -0.148 -2.843 12.343 1.00 0.00 O ATOM 1953 CB TYR A 130 1.998 -3.374 14.895 1.00 0.00 C ATOM 1954 CG TYR A 130 3.207 -3.112 15.811 1.00 0.00 C ATOM 1955 CD1 TYR A 130 4.503 -3.454 15.406 1.00 0.00 C ATOM 1956 CD2 TYR A 130 3.014 -2.529 17.068 1.00 0.00 C ATOM 1957 CE1 TYR A 130 5.591 -3.177 16.230 1.00 0.00 C ATOM 1958 CE2 TYR A 130 4.105 -2.271 17.897 1.00 0.00 C ATOM 1959 CZ TYR A 130 5.390 -2.589 17.471 1.00 0.00 C ATOM 1960 OH TYR A 130 6.475 -2.259 18.236 1.00 0.00 O ATOM 0 H TYR A 130 1.019 -0.909 13.665 1.00 0.00 H new ATOM 0 HA TYR A 130 2.980 -3.004 12.978 1.00 0.00 H new ATOM 0 HB2 TYR A 130 1.108 -2.997 15.398 1.00 0.00 H new ATOM 0 HB3 TYR A 130 1.877 -4.453 14.799 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.659 -3.934 14.451 1.00 0.00 H new ATOM 0 HD2 TYR A 130 2.017 -2.278 17.397 1.00 0.00 H new ATOM 0 HE1 TYR A 130 6.591 -3.420 15.903 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.952 -1.825 18.869 1.00 0.00 H new ATOM 0 HH TYR A 130 6.172 -1.855 19.076 1.00 0.00 H new ATOM 1970 N TYR A 131 1.176 -4.648 12.076 1.00 0.00 N ATOM 1971 CA TYR A 131 0.147 -5.494 11.400 1.00 0.00 C ATOM 1972 C TYR A 131 -1.153 -5.748 12.259 1.00 0.00 C ATOM 1973 O TYR A 131 -0.985 -6.217 13.392 1.00 0.00 O ATOM 1974 CB TYR A 131 0.798 -6.855 11.006 1.00 0.00 C ATOM 1975 CG TYR A 131 1.320 -6.942 9.567 1.00 0.00 C ATOM 1976 CD1 TYR A 131 0.415 -6.981 8.501 1.00 0.00 C ATOM 1977 CD2 TYR A 131 2.687 -7.083 9.317 1.00 0.00 C ATOM 1978 CE1 TYR A 131 0.874 -7.170 7.198 1.00 0.00 C ATOM 1979 CE2 TYR A 131 3.137 -7.299 8.015 1.00 0.00 C ATOM 1980 CZ TYR A 131 2.234 -7.339 6.960 1.00 0.00 C ATOM 1981 OH TYR A 131 2.685 -7.579 5.690 1.00 0.00 O ATOM 0 H TYR A 131 2.090 -5.095 12.142 1.00 0.00 H new ATOM 0 HA TYR A 131 -0.187 -4.942 10.521 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.625 -7.053 11.687 1.00 0.00 H new ATOM 0 HB3 TYR A 131 0.064 -7.647 11.157 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -0.642 -6.864 8.688 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.394 -7.025 10.131 1.00 0.00 H new ATOM 0 HE1 TYR A 131 0.175 -7.185 6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 131 4.192 -7.436 7.826 1.00 0.00 H new ATOM 0 HH TYR A 131 3.661 -7.671 5.701 1.00 0.00 H new ATOM 1991 N PRO A 132 -2.420 -5.475 11.822 1.00 0.00 N ATOM 1992 CA PRO A 132 -3.604 -5.526 12.727 1.00 0.00 C ATOM 1993 C PRO A 132 -4.152 -6.983 12.945 1.00 0.00 C ATOM 1994 O PRO A 132 -3.698 -7.688 13.851 1.00 0.00 O ATOM 1995 CB PRO A 132 -4.545 -4.458 12.099 1.00 0.00 C ATOM 1996 CG PRO A 132 -3.775 -3.834 10.929 1.00 0.00 C ATOM 1997 CD PRO A 132 -2.767 -4.892 10.513 1.00 0.00 C ATOM 0 HA PRO A 132 -3.413 -5.279 13.771 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -5.473 -4.914 11.754 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -4.816 -3.700 12.834 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -4.444 -3.581 10.106 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -3.278 -2.912 11.231 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -3.197 -5.628 9.834 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.901 -4.462 10.010 1.00 0.00 H new ATOM 2005 N GLU A 133 -5.084 -7.436 12.093 1.00 0.00 N ATOM 2006 CA GLU A 133 -5.642 -8.816 12.125 1.00 0.00 C ATOM 2007 C GLU A 133 -5.619 -9.385 10.664 1.00 0.00 C ATOM 2008 O GLU A 133 -6.607 -9.328 9.925 1.00 0.00 O ATOM 2009 CB GLU A 133 -6.968 -8.791 12.948 1.00 0.00 C ATOM 2010 CG GLU A 133 -8.196 -7.968 12.440 1.00 0.00 C ATOM 2011 CD GLU A 133 -9.153 -7.369 13.476 1.00 0.00 C ATOM 2012 OE1 GLU A 133 -8.931 -7.481 14.701 1.00 0.00 O ATOM 2013 OE2 GLU A 133 -10.140 -6.736 13.049 1.00 0.00 O ATOM 0 H GLU A 133 -5.481 -6.858 11.353 1.00 0.00 H new ATOM 0 HA GLU A 133 -5.055 -9.556 12.669 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.297 -9.824 13.062 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -6.723 -8.423 13.944 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -7.817 -7.150 11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -8.780 -8.614 11.784 1.00 0.00 H new ATOM 2020 N TRP A 134 -4.416 -9.809 10.212 1.00 0.00 N ATOM 2021 CA TRP A 134 -4.160 -10.265 8.810 1.00 0.00 C ATOM 2022 C TRP A 134 -4.178 -11.829 8.682 1.00 0.00 C ATOM 2023 O TRP A 134 -4.005 -12.550 9.678 1.00 0.00 O ATOM 2024 CB TRP A 134 -2.910 -9.500 8.239 1.00 0.00 C ATOM 2025 CG TRP A 134 -1.522 -10.183 8.123 1.00 0.00 C ATOM 2026 CD1 TRP A 134 -0.910 -10.515 6.894 1.00 0.00 C ATOM 2027 CD2 TRP A 134 -0.581 -10.507 9.094 1.00 0.00 C ATOM 2028 NE1 TRP A 134 0.400 -11.001 7.067 1.00 0.00 N ATOM 2029 CE2 TRP A 134 0.575 -11.003 8.436 1.00 0.00 C ATOM 2030 CE3 TRP A 134 -0.626 -10.447 10.510 1.00 0.00 C ATOM 2031 CZ2 TRP A 134 1.692 -11.437 9.186 1.00 0.00 C ATOM 2032 CZ3 TRP A 134 0.487 -10.895 11.232 1.00 0.00 C ATOM 2033 CH2 TRP A 134 1.628 -11.378 10.580 1.00 0.00 C ATOM 0 H TRP A 134 -3.587 -9.848 10.805 1.00 0.00 H new ATOM 0 HA TRP A 134 -4.982 -9.989 8.149 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -3.178 -9.157 7.240 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -2.775 -8.611 8.855 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -1.391 -10.408 5.933 1.00 0.00 H new ATOM 0 HE1 TRP A 134 1.065 -11.285 6.348 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -1.498 -10.065 11.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 2.578 -11.807 8.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 0.465 -10.867 12.311 1.00 0.00 H new ATOM 0 HH2 TRP A 134 2.473 -11.711 11.165 1.00 0.00 H new ATOM 2044 N ASP A 135 -4.459 -12.338 7.483 1.00 0.00 N ATOM 2045 CA ASP A 135 -5.021 -13.712 7.299 1.00 0.00 C ATOM 2046 C ASP A 135 -3.878 -14.796 7.335 1.00 0.00 C ATOM 2047 O ASP A 135 -3.269 -15.134 6.321 1.00 0.00 O ATOM 2048 CB ASP A 135 -5.958 -13.715 6.039 1.00 0.00 C ATOM 2049 CG ASP A 135 -6.973 -12.570 5.806 1.00 0.00 C ATOM 2050 OD1 ASP A 135 -6.548 -11.432 5.501 1.00 0.00 O ATOM 2051 OD2 ASP A 135 -8.201 -12.807 5.834 1.00 0.00 O ATOM 0 H ASP A 135 -4.312 -11.831 6.610 1.00 0.00 H new ATOM 0 HA ASP A 135 -5.661 -14.002 8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -5.314 -13.756 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -6.525 -14.646 6.063 1.00 0.00 H new ATOM 2056 N ALA A 136 -3.490 -15.243 8.545 1.00 0.00 N ATOM 2057 CA ALA A 136 -2.186 -15.942 8.768 1.00 0.00 C ATOM 2058 C ALA A 136 -1.982 -17.410 8.270 1.00 0.00 C ATOM 2059 O ALA A 136 -0.856 -17.750 7.912 1.00 0.00 O ATOM 2060 CB ALA A 136 -1.877 -15.776 10.268 1.00 0.00 C ATOM 0 H ALA A 136 -4.053 -15.138 9.389 1.00 0.00 H new ATOM 0 HA ALA A 136 -1.472 -15.461 8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -0.932 -16.266 10.501 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -1.805 -14.716 10.509 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.675 -16.229 10.856 1.00 0.00 H new ATOM 2066 N ALA A 137 -3.001 -18.290 8.255 1.00 0.00 N ATOM 2067 CA ALA A 137 -3.012 -19.433 7.294 1.00 0.00 C ATOM 2068 C ALA A 137 -3.593 -19.059 5.880 1.00 0.00 C ATOM 2069 O ALA A 137 -2.987 -19.383 4.865 1.00 0.00 O ATOM 2070 CB ALA A 137 -3.679 -20.664 7.953 1.00 0.00 C ATOM 0 H ALA A 137 -3.810 -18.244 8.874 1.00 0.00 H new ATOM 0 HA ALA A 137 -1.980 -19.703 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -3.685 -21.495 7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -3.119 -20.948 8.844 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.704 -20.417 8.231 1.00 0.00 H new ATOM 2076 N GLU A 138 -4.719 -18.320 5.814 1.00 0.00 N ATOM 2077 CA GLU A 138 -5.438 -17.991 4.546 1.00 0.00 C ATOM 2078 C GLU A 138 -4.932 -16.791 3.637 1.00 0.00 C ATOM 2079 O GLU A 138 -5.687 -16.258 2.816 1.00 0.00 O ATOM 2080 CB GLU A 138 -6.926 -17.875 5.021 1.00 0.00 C ATOM 2081 CG GLU A 138 -7.631 -19.185 5.514 1.00 0.00 C ATOM 2082 CD GLU A 138 -7.669 -19.450 7.019 1.00 0.00 C ATOM 2083 OE1 GLU A 138 -6.717 -19.097 7.747 1.00 0.00 O ATOM 2084 OE2 GLU A 138 -8.660 -20.059 7.472 1.00 0.00 O ATOM 0 H GLU A 138 -5.167 -17.927 6.642 1.00 0.00 H new ATOM 0 HA GLU A 138 -5.246 -18.769 3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -6.965 -17.147 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -7.512 -17.467 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -8.658 -19.170 5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -7.137 -20.031 5.037 1.00 0.00 H new ATOM 2091 N TRP A 139 -3.628 -16.468 3.654 1.00 0.00 N ATOM 2092 CA TRP A 139 -2.917 -15.796 2.527 1.00 0.00 C ATOM 2093 C TRP A 139 -1.945 -16.835 1.851 1.00 0.00 C ATOM 2094 O TRP A 139 -0.889 -17.148 2.406 1.00 0.00 O ATOM 2095 CB TRP A 139 -2.166 -14.521 3.031 1.00 0.00 C ATOM 2096 CG TRP A 139 -2.926 -13.188 3.009 1.00 0.00 C ATOM 2097 CD1 TRP A 139 -3.334 -12.477 4.139 1.00 0.00 C ATOM 2098 CD2 TRP A 139 -3.325 -12.416 1.940 1.00 0.00 C ATOM 2099 NE1 TRP A 139 -4.112 -11.338 3.826 1.00 0.00 N ATOM 2100 CE2 TRP A 139 -4.059 -11.310 2.447 1.00 0.00 C ATOM 2101 CE3 TRP A 139 -3.134 -12.571 0.540 1.00 0.00 C ATOM 2102 CZ2 TRP A 139 -4.627 -10.366 1.555 1.00 0.00 C ATOM 2103 CZ3 TRP A 139 -3.703 -11.628 -0.317 1.00 0.00 C ATOM 2104 CH2 TRP A 139 -4.440 -10.544 0.184 1.00 0.00 C ATOM 0 H TRP A 139 -3.023 -16.663 4.452 1.00 0.00 H new ATOM 0 HA TRP A 139 -3.633 -15.457 1.779 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.843 -14.706 4.056 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.265 -14.403 2.429 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -3.082 -12.767 5.148 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -4.591 -10.698 4.460 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -2.562 -13.399 0.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -5.193 -9.526 1.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -3.574 -11.734 -1.384 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -4.871 -9.833 -0.506 1.00 0.00 H new ATOM 2115 N GLU A 140 -2.281 -17.340 0.649 1.00 0.00 N ATOM 2116 CA GLU A 140 -1.365 -18.217 -0.143 1.00 0.00 C ATOM 2117 C GLU A 140 -0.238 -17.389 -0.863 1.00 0.00 C ATOM 2118 O GLU A 140 -0.458 -16.266 -1.341 1.00 0.00 O ATOM 2119 CB GLU A 140 -2.198 -19.041 -1.172 1.00 0.00 C ATOM 2120 CG GLU A 140 -3.207 -20.097 -0.604 1.00 0.00 C ATOM 2121 CD GLU A 140 -2.890 -21.577 -0.792 1.00 0.00 C ATOM 2122 OE1 GLU A 140 -1.741 -21.999 -0.542 1.00 0.00 O ATOM 2123 OE2 GLU A 140 -3.814 -22.337 -1.170 1.00 0.00 O ATOM 0 H GLU A 140 -3.177 -17.162 0.196 1.00 0.00 H new ATOM 0 HA GLU A 140 -0.863 -18.899 0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.758 -18.340 -1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.501 -19.561 -1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.313 -19.913 0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.179 -19.905 -1.058 1.00 0.00 H new ATOM 2130 N LEU A 141 0.980 -17.945 -0.945 1.00 0.00 N ATOM 2131 CA LEU A 141 2.137 -17.288 -1.623 1.00 0.00 C ATOM 2132 C LEU A 141 2.207 -17.668 -3.150 1.00 0.00 C ATOM 2133 O LEU A 141 2.139 -18.847 -3.511 1.00 0.00 O ATOM 2134 CB LEU A 141 3.470 -17.640 -0.890 1.00 0.00 C ATOM 2135 CG LEU A 141 3.597 -17.221 0.607 1.00 0.00 C ATOM 2136 CD1 LEU A 141 3.424 -18.427 1.549 1.00 0.00 C ATOM 2137 CD2 LEU A 141 4.917 -16.490 0.913 1.00 0.00 C ATOM 0 H LEU A 141 1.203 -18.858 -0.549 1.00 0.00 H new ATOM 0 HA LEU A 141 1.990 -16.209 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.614 -18.719 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 141 4.289 -17.177 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 141 2.786 -16.516 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 141 3.519 -18.097 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 141 2.439 -18.869 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 141 4.192 -19.170 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.949 -16.223 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.757 -17.143 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 141 4.981 -15.585 0.308 1.00 0.00 H new ATOM 2149 N ASP A 142 2.367 -16.668 -4.028 1.00 0.00 N ATOM 2150 CA ASP A 142 2.580 -16.866 -5.500 1.00 0.00 C ATOM 2151 C ASP A 142 4.115 -16.919 -5.828 1.00 0.00 C ATOM 2152 O ASP A 142 4.665 -17.998 -6.083 1.00 0.00 O ATOM 2153 CB ASP A 142 1.749 -15.745 -6.213 1.00 0.00 C ATOM 2154 CG ASP A 142 1.561 -15.749 -7.735 1.00 0.00 C ATOM 2155 OD1 ASP A 142 2.088 -16.646 -8.426 1.00 0.00 O ATOM 2156 OD2 ASP A 142 0.859 -14.833 -8.241 1.00 0.00 O ATOM 0 H ASP A 142 2.355 -15.686 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 142 2.220 -17.825 -5.874 1.00 0.00 H new ATOM 0 HB2 ASP A 142 0.754 -15.753 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 142 2.207 -14.792 -5.950 1.00 0.00 H new ATOM 2161 N ALA A 143 4.821 -15.770 -5.768 1.00 0.00 N ATOM 2162 CA ALA A 143 6.262 -15.670 -6.112 1.00 0.00 C ATOM 2163 C ALA A 143 7.072 -14.738 -5.140 1.00 0.00 C ATOM 2164 O ALA A 143 6.952 -13.509 -5.189 1.00 0.00 O ATOM 2165 CB ALA A 143 6.312 -15.176 -7.575 1.00 0.00 C ATOM 0 H ALA A 143 4.410 -14.882 -5.480 1.00 0.00 H new ATOM 0 HA ALA A 143 6.747 -16.640 -6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 143 7.351 -15.081 -7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 143 5.801 -15.892 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 143 5.820 -14.206 -7.649 1.00 0.00 H new ATOM 2171 N GLU A 144 7.962 -15.314 -4.305 1.00 0.00 N ATOM 2172 CA GLU A 144 9.035 -14.534 -3.611 1.00 0.00 C ATOM 2173 C GLU A 144 10.276 -14.291 -4.547 1.00 0.00 C ATOM 2174 O GLU A 144 10.790 -15.210 -5.192 1.00 0.00 O ATOM 2175 CB GLU A 144 9.401 -15.184 -2.241 1.00 0.00 C ATOM 2176 CG GLU A 144 10.384 -14.337 -1.365 1.00 0.00 C ATOM 2177 CD GLU A 144 10.445 -14.526 0.147 1.00 0.00 C ATOM 2178 OE1 GLU A 144 9.629 -15.265 0.736 1.00 0.00 O ATOM 2179 OE2 GLU A 144 11.283 -13.830 0.767 1.00 0.00 O ATOM 0 H GLU A 144 7.968 -16.311 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 144 8.646 -13.542 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 144 8.484 -15.353 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 144 9.847 -16.161 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 144 11.388 -14.513 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 144 10.152 -13.288 -1.547 1.00 0.00 H new ATOM 2186 N THR A 145 10.745 -13.032 -4.635 1.00 0.00 N ATOM 2187 CA THR A 145 11.972 -12.658 -5.413 1.00 0.00 C ATOM 2188 C THR A 145 13.013 -11.935 -4.489 1.00 0.00 C ATOM 2189 O THR A 145 12.879 -10.747 -4.155 1.00 0.00 O ATOM 2190 CB THR A 145 11.646 -11.815 -6.688 1.00 0.00 C ATOM 2191 OG1 THR A 145 10.933 -10.634 -6.356 1.00 0.00 O ATOM 2192 CG2 THR A 145 10.815 -12.558 -7.749 1.00 0.00 C ATOM 0 H THR A 145 10.297 -12.239 -4.176 1.00 0.00 H new ATOM 0 HA THR A 145 12.419 -13.584 -5.773 1.00 0.00 H new ATOM 0 HB THR A 145 12.625 -11.592 -7.111 1.00 0.00 H new ATOM 0 HG1 THR A 145 10.744 -10.126 -7.172 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.636 -11.899 -8.598 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.359 -13.441 -8.084 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.861 -12.861 -7.317 1.00 0.00 H new ATOM 2200 N ASP A 146 14.080 -12.656 -4.121 1.00 0.00 N ATOM 2201 CA ASP A 146 15.192 -12.136 -3.281 1.00 0.00 C ATOM 2202 C ASP A 146 16.148 -11.114 -4.009 1.00 0.00 C ATOM 2203 O ASP A 146 16.243 -11.054 -5.242 1.00 0.00 O ATOM 2204 CB ASP A 146 15.883 -13.373 -2.632 1.00 0.00 C ATOM 2205 CG ASP A 146 16.840 -14.196 -3.501 1.00 0.00 C ATOM 2206 OD1 ASP A 146 16.383 -14.838 -4.471 1.00 0.00 O ATOM 2207 OD2 ASP A 146 18.052 -14.209 -3.196 1.00 0.00 O ATOM 0 H ASP A 146 14.207 -13.630 -4.396 1.00 0.00 H new ATOM 0 HA ASP A 146 14.801 -11.494 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 146 16.437 -13.027 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 146 15.102 -14.041 -2.270 1.00 0.00 H new ATOM 2212 N HIS A 147 16.769 -10.212 -3.232 1.00 0.00 N ATOM 2213 CA HIS A 147 17.645 -9.122 -3.762 1.00 0.00 C ATOM 2214 C HIS A 147 18.784 -8.741 -2.745 1.00 0.00 C ATOM 2215 O HIS A 147 18.761 -9.089 -1.560 1.00 0.00 O ATOM 2216 CB HIS A 147 16.781 -7.869 -4.125 1.00 0.00 C ATOM 2217 CG HIS A 147 15.753 -8.007 -5.242 1.00 0.00 C ATOM 2218 ND1 HIS A 147 14.451 -8.393 -5.007 1.00 0.00 N ATOM 2219 CD2 HIS A 147 15.980 -7.893 -6.620 1.00 0.00 C ATOM 2220 CE1 HIS A 147 13.998 -8.574 -6.282 1.00 0.00 C ATOM 2221 NE2 HIS A 147 14.835 -8.264 -7.327 1.00 0.00 N ATOM 0 H HIS A 147 16.686 -10.207 -2.215 1.00 0.00 H new ATOM 0 HA HIS A 147 18.132 -9.491 -4.665 1.00 0.00 H new ATOM 0 HB2 HIS A 147 16.255 -7.554 -3.224 1.00 0.00 H new ATOM 0 HB3 HIS A 147 17.461 -7.061 -4.395 1.00 0.00 H new ATOM 0 HD2 HIS A 147 16.906 -7.566 -7.070 1.00 0.00 H new ATOM 0 HE1 HIS A 147 13.003 -8.953 -6.466 1.00 0.00 H new ATOM 0 HE2 HIS A 147 14.667 -8.296 -8.333 1.00 0.00 H new ATOM 2230 N GLU A 148 19.769 -7.955 -3.205 1.00 0.00 N ATOM 2231 CA GLU A 148 20.877 -7.396 -2.379 1.00 0.00 C ATOM 2232 C GLU A 148 20.576 -6.569 -1.077 1.00 0.00 C ATOM 2233 O GLU A 148 21.398 -6.567 -0.157 1.00 0.00 O ATOM 2234 CB GLU A 148 21.808 -6.636 -3.370 1.00 0.00 C ATOM 2235 CG GLU A 148 21.239 -5.410 -4.163 1.00 0.00 C ATOM 2236 CD GLU A 148 20.406 -5.682 -5.422 1.00 0.00 C ATOM 2237 OE1 GLU A 148 19.291 -6.229 -5.323 1.00 0.00 O ATOM 2238 OE2 GLU A 148 20.845 -5.310 -6.527 1.00 0.00 O ATOM 0 H GLU A 148 19.829 -7.677 -4.185 1.00 0.00 H new ATOM 0 HA GLU A 148 21.332 -8.258 -1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 148 22.674 -6.289 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 148 22.171 -7.359 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 148 20.625 -4.827 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 148 22.081 -4.780 -4.451 1.00 0.00 H new ATOM 2245 N GLY A 149 19.424 -5.890 -0.965 1.00 0.00 N ATOM 2246 CA GLY A 149 18.907 -5.435 0.363 1.00 0.00 C ATOM 2247 C GLY A 149 17.371 -5.325 0.523 1.00 0.00 C ATOM 2248 O GLY A 149 16.890 -4.448 1.243 1.00 0.00 O ATOM 0 H GLY A 149 18.831 -5.640 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 149 19.278 -6.122 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 149 19.340 -4.458 0.578 1.00 0.00 H new ATOM 2252 N PHE A 150 16.611 -6.226 -0.119 1.00 0.00 N ATOM 2253 CA PHE A 150 15.143 -6.369 0.080 1.00 0.00 C ATOM 2254 C PHE A 150 14.648 -7.790 -0.381 1.00 0.00 C ATOM 2255 O PHE A 150 15.273 -8.446 -1.221 1.00 0.00 O ATOM 2256 CB PHE A 150 14.326 -5.172 -0.523 1.00 0.00 C ATOM 2257 CG PHE A 150 13.942 -5.187 -2.020 1.00 0.00 C ATOM 2258 CD1 PHE A 150 14.914 -5.025 -3.005 1.00 0.00 C ATOM 2259 CD2 PHE A 150 12.604 -5.346 -2.400 1.00 0.00 C ATOM 2260 CE1 PHE A 150 14.557 -5.006 -4.354 1.00 0.00 C ATOM 2261 CE2 PHE A 150 12.245 -5.317 -3.748 1.00 0.00 C ATOM 2262 CZ PHE A 150 13.220 -5.134 -4.722 1.00 0.00 C ATOM 0 H PHE A 150 16.992 -6.885 -0.798 1.00 0.00 H new ATOM 0 HA PHE A 150 14.943 -6.311 1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 150 13.403 -5.086 0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 150 14.899 -4.262 -0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 150 15.950 -4.913 -2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 150 11.845 -5.492 -1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 150 15.317 -4.892 -5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 150 11.211 -5.437 -4.035 1.00 0.00 H new ATOM 0 HZ PHE A 150 12.940 -5.091 -5.764 1.00 0.00 H new ATOM 2272 N THR A 151 13.488 -8.246 0.107 1.00 0.00 N ATOM 2273 CA THR A 151 12.729 -9.364 -0.539 1.00 0.00 C ATOM 2274 C THR A 151 11.272 -8.906 -0.878 1.00 0.00 C ATOM 2275 O THR A 151 10.495 -8.520 0.002 1.00 0.00 O ATOM 2276 CB THR A 151 12.845 -10.710 0.238 1.00 0.00 C ATOM 2277 OG1 THR A 151 12.224 -11.733 -0.529 1.00 0.00 O ATOM 2278 CG2 THR A 151 12.239 -10.795 1.644 1.00 0.00 C ATOM 0 H THR A 151 13.042 -7.870 0.944 1.00 0.00 H new ATOM 0 HA THR A 151 13.198 -9.599 -1.494 1.00 0.00 H new ATOM 0 HB THR A 151 13.920 -10.815 0.382 1.00 0.00 H new ATOM 0 HG1 THR A 151 11.640 -12.266 0.049 1.00 0.00 H new ATOM 0 HG21 THR A 151 12.402 -11.793 2.051 1.00 0.00 H new ATOM 0 HG22 THR A 151 12.715 -10.058 2.291 1.00 0.00 H new ATOM 0 HG23 THR A 151 11.169 -10.595 1.592 1.00 0.00 H new ATOM 2286 N LEU A 152 10.907 -8.937 -2.175 1.00 0.00 N ATOM 2287 CA LEU A 152 9.482 -8.824 -2.615 1.00 0.00 C ATOM 2288 C LEU A 152 8.771 -10.196 -2.444 1.00 0.00 C ATOM 2289 O LEU A 152 9.230 -11.204 -2.986 1.00 0.00 O ATOM 2290 CB LEU A 152 9.453 -8.316 -4.092 1.00 0.00 C ATOM 2291 CG LEU A 152 8.105 -8.221 -4.871 1.00 0.00 C ATOM 2292 CD1 LEU A 152 7.582 -9.553 -5.445 1.00 0.00 C ATOM 2293 CD2 LEU A 152 6.995 -7.464 -4.117 1.00 0.00 C ATOM 0 H LEU A 152 11.570 -9.039 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 152 8.940 -8.105 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 152 9.899 -7.321 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 152 10.112 -8.965 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 152 8.379 -7.614 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 152 6.641 -9.380 -5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 152 8.314 -9.961 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 152 7.421 -10.261 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 152 6.091 -7.442 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 152 6.786 -7.970 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 152 7.322 -6.444 -3.917 1.00 0.00 H new ATOM 2305 N GLN A 153 7.639 -10.199 -1.740 1.00 0.00 N ATOM 2306 CA GLN A 153 6.746 -11.385 -1.649 1.00 0.00 C ATOM 2307 C GLN A 153 5.396 -11.052 -2.368 1.00 0.00 C ATOM 2308 O GLN A 153 4.653 -10.187 -1.884 1.00 0.00 O ATOM 2309 CB GLN A 153 6.562 -11.713 -0.141 1.00 0.00 C ATOM 2310 CG GLN A 153 7.829 -12.151 0.637 1.00 0.00 C ATOM 2311 CD GLN A 153 7.561 -12.533 2.091 1.00 0.00 C ATOM 2312 OE1 GLN A 153 7.264 -11.706 2.948 1.00 0.00 O ATOM 2313 NE2 GLN A 153 7.656 -13.789 2.422 1.00 0.00 N ATOM 0 H GLN A 153 7.305 -9.391 -1.215 1.00 0.00 H new ATOM 0 HA GLN A 153 7.164 -12.262 -2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 153 6.149 -10.832 0.351 1.00 0.00 H new ATOM 0 HB3 GLN A 153 5.818 -12.505 -0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 153 8.282 -13.001 0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 153 8.557 -11.340 0.613 1.00 0.00 H new ATOM 0 HE21 GLN A 153 7.902 -14.485 1.718 1.00 0.00 H new ATOM 0 HE22 GLN A 153 7.484 -14.077 3.385 1.00 0.00 H new ATOM 2322 N GLU A 154 5.083 -11.696 -3.513 1.00 0.00 N ATOM 2323 CA GLU A 154 3.754 -11.549 -4.181 1.00 0.00 C ATOM 2324 C GLU A 154 2.750 -12.657 -3.701 1.00 0.00 C ATOM 2325 O GLU A 154 3.093 -13.841 -3.643 1.00 0.00 O ATOM 2326 CB GLU A 154 3.925 -11.460 -5.738 1.00 0.00 C ATOM 2327 CG GLU A 154 3.075 -10.306 -6.334 1.00 0.00 C ATOM 2328 CD GLU A 154 3.021 -10.054 -7.826 1.00 0.00 C ATOM 2329 OE1 GLU A 154 2.214 -10.714 -8.509 1.00 0.00 O ATOM 2330 OE2 GLU A 154 3.667 -9.094 -8.301 1.00 0.00 O ATOM 0 H GLU A 154 5.724 -12.323 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 154 3.301 -10.605 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 154 4.976 -11.304 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 154 3.629 -12.405 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 154 2.049 -10.464 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 154 3.422 -9.383 -5.869 1.00 0.00 H new ATOM 2337 N TRP A 155 1.526 -12.267 -3.308 1.00 0.00 N ATOM 2338 CA TRP A 155 0.551 -13.186 -2.638 1.00 0.00 C ATOM 2339 C TRP A 155 -0.817 -13.234 -3.404 1.00 0.00 C ATOM 2340 O TRP A 155 -1.334 -12.201 -3.845 1.00 0.00 O ATOM 2341 CB TRP A 155 0.307 -12.736 -1.163 1.00 0.00 C ATOM 2342 CG TRP A 155 1.491 -12.631 -0.177 1.00 0.00 C ATOM 2343 CD1 TRP A 155 2.420 -11.571 -0.153 1.00 0.00 C ATOM 2344 CD2 TRP A 155 1.762 -13.358 0.973 1.00 0.00 C ATOM 2345 NE1 TRP A 155 3.260 -11.614 0.967 1.00 0.00 N ATOM 2346 CE2 TRP A 155 2.832 -12.719 1.655 1.00 0.00 C ATOM 2347 CE3 TRP A 155 1.140 -14.496 1.542 1.00 0.00 C ATOM 2348 CZ2 TRP A 155 3.265 -13.188 2.910 1.00 0.00 C ATOM 2349 CZ3 TRP A 155 1.589 -14.949 2.788 1.00 0.00 C ATOM 2350 CH2 TRP A 155 2.634 -14.305 3.460 1.00 0.00 C ATOM 0 H TRP A 155 1.174 -11.319 -3.438 1.00 0.00 H new ATOM 0 HA TRP A 155 0.984 -14.186 -2.648 1.00 0.00 H new ATOM 0 HB2 TRP A 155 -0.172 -11.757 -1.199 1.00 0.00 H new ATOM 0 HB3 TRP A 155 -0.415 -13.428 -0.729 1.00 0.00 H new ATOM 0 HD1 TRP A 155 2.478 -10.808 -0.916 1.00 0.00 H new ATOM 0 HE1 TRP A 155 4.014 -10.973 1.213 1.00 0.00 H new ATOM 0 HE3 TRP A 155 0.338 -15.003 1.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 155 4.068 -12.694 3.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 155 1.120 -15.811 3.239 1.00 0.00 H new ATOM 0 HH2 TRP A 155 2.958 -14.679 4.420 1.00 0.00 H new ATOM 2361 N VAL A 156 -1.428 -14.429 -3.504 1.00 0.00 N ATOM 2362 CA VAL A 156 -2.732 -14.648 -4.227 1.00 0.00 C ATOM 2363 C VAL A 156 -4.015 -14.978 -3.344 1.00 0.00 C ATOM 2364 O VAL A 156 -5.104 -15.134 -3.906 1.00 0.00 O ATOM 2365 CB VAL A 156 -2.436 -15.664 -5.397 1.00 0.00 C ATOM 2366 CG1 VAL A 156 -2.281 -17.146 -4.975 1.00 0.00 C ATOM 2367 CG2 VAL A 156 -3.449 -15.595 -6.561 1.00 0.00 C ATOM 0 H VAL A 156 -1.046 -15.281 -3.092 1.00 0.00 H new ATOM 0 HA VAL A 156 -3.067 -13.690 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.462 -15.313 -5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -2.080 -17.756 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 156 -1.453 -17.240 -4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -3.201 -17.487 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -3.176 -16.324 -7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -4.448 -15.818 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.438 -14.595 -6.994 1.00 0.00 H new ATOM 2377 N ARG A 157 -3.933 -15.042 -1.990 1.00 0.00 N ATOM 2378 CA ARG A 157 -5.100 -15.263 -1.060 1.00 0.00 C ATOM 2379 C ARG A 157 -5.655 -16.730 -1.024 1.00 0.00 C ATOM 2380 O ARG A 157 -5.219 -17.592 -1.791 1.00 0.00 O ATOM 2381 CB ARG A 157 -6.169 -14.131 -1.200 1.00 0.00 C ATOM 2382 CG ARG A 157 -6.938 -13.737 0.095 1.00 0.00 C ATOM 2383 CD ARG A 157 -7.581 -12.337 -0.004 1.00 0.00 C ATOM 2384 NE ARG A 157 -7.857 -11.741 1.337 1.00 0.00 N ATOM 2385 CZ ARG A 157 -8.993 -11.802 2.009 1.00 0.00 C ATOM 2386 NH1 ARG A 157 -10.069 -12.365 1.535 1.00 0.00 N ATOM 2387 NH2 ARG A 157 -9.028 -11.274 3.195 1.00 0.00 N ATOM 0 H ARG A 157 -3.047 -14.942 -1.494 1.00 0.00 H new ATOM 0 HA ARG A 157 -4.709 -15.167 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -5.674 -13.240 -1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -6.898 -14.441 -1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -7.714 -14.477 0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.253 -13.760 0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.920 -11.675 -0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.512 -12.407 -0.566 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.090 -11.235 1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -10.058 -12.784 0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.922 -12.386 2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -8.195 -10.830 3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.889 -11.303 3.741 1.00 0.00 H new ATOM 2401 N SER A 158 -6.610 -17.033 -0.117 1.00 0.00 N ATOM 2402 CA SER A 158 -7.195 -18.403 0.034 1.00 0.00 C ATOM 2403 C SER A 158 -8.115 -18.861 -1.150 1.00 0.00 C ATOM 2404 O SER A 158 -9.345 -18.936 -1.063 1.00 0.00 O ATOM 2405 CB SER A 158 -7.903 -18.423 1.407 1.00 0.00 C ATOM 2406 OG SER A 158 -8.166 -19.754 1.846 1.00 0.00 O ATOM 0 H SER A 158 -7.001 -16.348 0.530 1.00 0.00 H new ATOM 0 HA SER A 158 -6.398 -19.146 -0.006 1.00 0.00 H new ATOM 0 HB2 SER A 158 -7.282 -17.913 2.144 1.00 0.00 H new ATOM 0 HB3 SER A 158 -8.840 -17.870 1.341 1.00 0.00 H new ATOM 0 HG SER A 158 -8.613 -19.729 2.718 1.00 0.00 H new