USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 976 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 145 THR OG1 : rot 180:sc= -0.328 USER MOD Set 1.2: A 147 HIS : no HE2:sc= -0.0015 X(o=-0.33,f=-0.74) USER MOD Set 2.1: A 5 SER OG : rot 157:sc= -0.109 USER MOD Set 2.2: A 106 TYR OH : rot 180:sc= -0.0447 USER MOD Set 2.3: A 110 GLN : amide:sc=-0.00111 X(o=-0.15,f=-0.091) USER MOD Set 2.4: A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.5: A 131 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc= 1.38 (180deg=0.519) USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 1.78 (180deg=1.67) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.31) USER MOD Single : A 33 TYR OH : rot 131:sc= 0.752 USER MOD Single : A 35 SER OG : rot -20:sc= 0.204 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -26:sc= 0.122 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 -31:sc= 1.08 USER MOD Single : A 61 GLN : amide:sc= -0.135 K(o=-0.13,f=-3.4!) USER MOD Single : A 64 MET CE :methyl 150:sc= -0.156 (180deg=-2.13!) USER MOD Single : A 65 SER OG : rot -160:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.0275 X(o=-0.027,f=-0.42) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -18:sc= 0.377 USER MOD Single : A 96 THR OG1 : rot 28:sc= 1.18 USER MOD Single : A 98 TYR OH : rot 121:sc= 0.0322 USER MOD Single : A 112 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 119 SER OG : rot 102:sc= 1.11 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -100:sc= 0.258 USER MOD Single : A 153 GLN : amide:sc= 0.773 K(o=0.77,f=-1.4) USER MOD Single : A 158 SER OG : rot -156:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.034 -2.538 -12.995 1.00 0.00 N ATOM 2 CA MET A 1 -9.390 -2.259 -11.569 1.00 0.00 C ATOM 3 C MET A 1 -9.295 -3.419 -10.499 1.00 0.00 C ATOM 4 O MET A 1 -10.029 -3.358 -9.509 1.00 0.00 O ATOM 5 CB MET A 1 -10.753 -1.499 -11.605 1.00 0.00 C ATOM 6 CG MET A 1 -12.034 -2.351 -11.800 1.00 0.00 C ATOM 7 SD MET A 1 -12.889 -2.486 -10.218 1.00 0.00 S ATOM 8 CE MET A 1 -14.148 -3.693 -10.655 1.00 0.00 C ATOM 0 H1 MET A 1 -8.675 -1.669 -13.440 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.300 -3.274 -13.032 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.879 -2.865 -13.506 1.00 0.00 H new ATOM 0 HA MET A 1 -8.586 -1.653 -11.150 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.855 -0.944 -10.673 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.710 -0.765 -12.410 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.685 -1.889 -12.542 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.775 -3.341 -12.175 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.774 -3.897 -9.786 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.765 -3.299 -11.462 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.669 -4.616 -10.982 1.00 0.00 H new ATOM 20 N GLU A 2 -8.371 -4.409 -10.590 1.00 0.00 N ATOM 21 CA GLU A 2 -8.032 -5.286 -9.411 1.00 0.00 C ATOM 22 C GLU A 2 -7.329 -4.495 -8.229 1.00 0.00 C ATOM 23 O GLU A 2 -6.940 -3.328 -8.384 1.00 0.00 O ATOM 24 CB GLU A 2 -7.309 -6.595 -9.874 1.00 0.00 C ATOM 25 CG GLU A 2 -5.834 -6.459 -10.345 1.00 0.00 C ATOM 26 CD GLU A 2 -4.980 -7.707 -10.536 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.136 -8.386 -11.569 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.089 -7.966 -9.695 1.00 0.00 O ATOM 0 H GLU A 2 -7.852 -4.627 -11.440 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.964 -5.620 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.337 -7.307 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.886 -7.030 -10.690 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.844 -5.924 -11.295 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.321 -5.821 -9.625 1.00 0.00 H new ATOM 35 N LEU A 3 -7.205 -5.088 -7.031 1.00 0.00 N ATOM 36 CA LEU A 3 -6.793 -4.349 -5.795 1.00 0.00 C ATOM 37 C LEU A 3 -5.634 -5.055 -5.026 1.00 0.00 C ATOM 38 O LEU A 3 -5.783 -6.192 -4.567 1.00 0.00 O ATOM 39 CB LEU A 3 -8.051 -4.118 -4.900 1.00 0.00 C ATOM 40 CG LEU A 3 -8.526 -2.645 -4.816 1.00 0.00 C ATOM 41 CD1 LEU A 3 -9.894 -2.591 -4.134 1.00 0.00 C ATOM 42 CD2 LEU A 3 -7.571 -1.715 -4.043 1.00 0.00 C ATOM 0 H LEU A 3 -7.382 -6.081 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.384 -3.382 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.869 -4.728 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.833 -4.473 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.563 -2.286 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.230 -1.556 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.612 -3.173 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.816 -3.006 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.978 -0.704 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.463 -2.074 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.596 -1.708 -4.530 1.00 0.00 H new ATOM 54 N VAL A 4 -4.496 -4.359 -4.849 1.00 0.00 N ATOM 55 CA VAL A 4 -3.224 -4.987 -4.380 1.00 0.00 C ATOM 56 C VAL A 4 -2.576 -4.245 -3.141 1.00 0.00 C ATOM 57 O VAL A 4 -2.633 -3.018 -3.015 1.00 0.00 O ATOM 58 CB VAL A 4 -2.333 -5.217 -5.654 1.00 0.00 C ATOM 59 CG1 VAL A 4 -1.806 -3.950 -6.366 1.00 0.00 C ATOM 60 CG2 VAL A 4 -1.154 -6.165 -5.388 1.00 0.00 C ATOM 0 H VAL A 4 -4.421 -3.357 -5.022 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.389 -5.966 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.044 -5.675 -6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.206 -4.240 -7.228 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.648 -3.342 -6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.192 -3.373 -5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.573 -6.288 -6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.519 -5.746 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.533 -7.135 -5.066 1.00 0.00 H new ATOM 70 N SER A 5 -1.976 -5.000 -2.197 1.00 0.00 N ATOM 71 CA SER A 5 -1.521 -4.464 -0.866 1.00 0.00 C ATOM 72 C SER A 5 0.020 -4.178 -0.827 1.00 0.00 C ATOM 73 O SER A 5 0.810 -5.118 -0.891 1.00 0.00 O ATOM 74 CB SER A 5 -1.923 -5.402 0.321 1.00 0.00 C ATOM 75 OG SER A 5 -2.848 -6.459 0.031 1.00 0.00 O ATOM 0 H SER A 5 -1.787 -5.995 -2.320 1.00 0.00 H new ATOM 0 HA SER A 5 -2.042 -3.514 -0.742 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.014 -5.849 0.723 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.351 -4.785 1.111 1.00 0.00 H new ATOM 0 HG SER A 5 -2.748 -7.173 0.695 1.00 0.00 H new ATOM 81 N VAL A 6 0.481 -2.921 -0.704 1.00 0.00 N ATOM 82 CA VAL A 6 1.905 -2.536 -1.019 1.00 0.00 C ATOM 83 C VAL A 6 2.578 -1.883 0.253 1.00 0.00 C ATOM 84 O VAL A 6 2.646 -0.662 0.426 1.00 0.00 O ATOM 85 CB VAL A 6 2.070 -1.821 -2.434 1.00 0.00 C ATOM 86 CG1 VAL A 6 0.862 -1.892 -3.403 1.00 0.00 C ATOM 87 CG2 VAL A 6 2.514 -0.345 -2.454 1.00 0.00 C ATOM 0 H VAL A 6 -0.097 -2.141 -0.390 1.00 0.00 H new ATOM 0 HA VAL A 6 2.511 -3.423 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 6 2.886 -2.457 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.105 -1.367 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.636 -2.935 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.006 -1.424 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.581 0.001 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.786 0.261 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.489 -0.252 -1.976 1.00 0.00 H new ATOM 97 N ALA A 7 3.090 -2.721 1.167 1.00 0.00 N ATOM 98 CA ALA A 7 3.785 -2.278 2.410 1.00 0.00 C ATOM 99 C ALA A 7 5.342 -2.401 2.343 1.00 0.00 C ATOM 100 O ALA A 7 5.879 -3.163 1.533 1.00 0.00 O ATOM 101 CB ALA A 7 3.176 -3.167 3.513 1.00 0.00 C ATOM 0 H ALA A 7 3.039 -3.735 1.074 1.00 0.00 H new ATOM 0 HA ALA A 7 3.634 -1.214 2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.626 -2.915 4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.100 -3.000 3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.371 -4.215 3.285 1.00 0.00 H new ATOM 107 N ALA A 8 6.065 -1.665 3.201 1.00 0.00 N ATOM 108 CA ALA A 8 7.534 -1.846 3.394 1.00 0.00 C ATOM 109 C ALA A 8 7.879 -2.334 4.844 1.00 0.00 C ATOM 110 O ALA A 8 7.544 -1.650 5.817 1.00 0.00 O ATOM 111 CB ALA A 8 8.191 -0.485 3.088 1.00 0.00 C ATOM 0 H ALA A 8 5.663 -0.930 3.782 1.00 0.00 H new ATOM 0 HA ALA A 8 7.912 -2.621 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.271 -0.565 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.967 -0.196 2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.800 0.269 3.771 1.00 0.00 H new ATOM 117 N LEU A 9 8.559 -3.489 5.003 1.00 0.00 N ATOM 118 CA LEU A 9 8.911 -4.022 6.358 1.00 0.00 C ATOM 119 C LEU A 9 10.383 -3.700 6.782 1.00 0.00 C ATOM 120 O LEU A 9 11.338 -4.147 6.139 1.00 0.00 O ATOM 121 CB LEU A 9 8.698 -5.565 6.495 1.00 0.00 C ATOM 122 CG LEU A 9 7.314 -6.184 6.183 1.00 0.00 C ATOM 123 CD1 LEU A 9 7.329 -7.695 6.473 1.00 0.00 C ATOM 124 CD2 LEU A 9 6.163 -5.537 6.965 1.00 0.00 C ATOM 0 H LEU A 9 8.876 -4.071 4.228 1.00 0.00 H new ATOM 0 HA LEU A 9 8.219 -3.505 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.425 -6.052 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.952 -5.838 7.519 1.00 0.00 H new ATOM 0 HG LEU A 9 7.133 -5.995 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.350 -8.118 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.083 -8.177 5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.565 -7.861 7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.224 -6.020 6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.339 -5.654 8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.108 -4.476 6.720 1.00 0.00 H new ATOM 136 N ALA A 10 10.552 -3.053 7.945 1.00 0.00 N ATOM 137 CA ALA A 10 11.773 -3.237 8.785 1.00 0.00 C ATOM 138 C ALA A 10 11.712 -4.505 9.717 1.00 0.00 C ATOM 139 O ALA A 10 10.666 -5.167 9.822 1.00 0.00 O ATOM 140 CB ALA A 10 11.887 -1.926 9.583 1.00 0.00 C ATOM 0 H ALA A 10 9.872 -2.400 8.334 1.00 0.00 H new ATOM 0 HA ALA A 10 12.652 -3.428 8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 10 12.761 -1.970 10.232 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.989 -1.088 8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.991 -1.790 10.189 1.00 0.00 H new ATOM 400 N PRO A 27 17.567 2.473 -3.427 1.00 0.00 N ATOM 401 CA PRO A 27 16.754 2.598 -4.672 1.00 0.00 C ATOM 402 C PRO A 27 16.142 1.311 -5.327 1.00 0.00 C ATOM 403 O PRO A 27 15.273 1.450 -6.189 1.00 0.00 O ATOM 404 CB PRO A 27 17.726 3.317 -5.633 1.00 0.00 C ATOM 405 CG PRO A 27 18.724 4.036 -4.727 1.00 0.00 C ATOM 406 CD PRO A 27 18.911 3.068 -3.560 1.00 0.00 C ATOM 0 HA PRO A 27 15.827 3.117 -4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 27 18.230 2.606 -6.288 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.197 4.022 -6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.665 4.230 -5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 27 18.339 4.999 -4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.670 2.315 -3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 27 19.220 3.583 -2.650 1.00 0.00 H new ATOM 414 N ALA A 28 16.584 0.093 -4.958 1.00 0.00 N ATOM 415 CA ALA A 28 16.049 -1.181 -5.513 1.00 0.00 C ATOM 416 C ALA A 28 14.623 -1.616 -5.029 1.00 0.00 C ATOM 417 O ALA A 28 13.782 -1.909 -5.882 1.00 0.00 O ATOM 418 CB ALA A 28 17.144 -2.242 -5.316 1.00 0.00 C ATOM 0 H ALA A 28 17.322 -0.043 -4.267 1.00 0.00 H new ATOM 0 HA ALA A 28 15.837 -1.034 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.799 -3.198 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.046 -1.937 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.365 -2.344 -4.253 1.00 0.00 H new ATOM 424 N ASP A 29 14.307 -1.575 -3.714 1.00 0.00 N ATOM 425 CA ASP A 29 12.899 -1.453 -3.199 1.00 0.00 C ATOM 426 C ASP A 29 11.998 -0.439 -3.997 1.00 0.00 C ATOM 427 O ASP A 29 10.993 -0.816 -4.614 1.00 0.00 O ATOM 428 CB ASP A 29 12.993 -1.124 -1.676 1.00 0.00 C ATOM 429 CG ASP A 29 11.660 -0.822 -0.988 1.00 0.00 C ATOM 430 OD1 ASP A 29 11.206 0.341 -1.058 1.00 0.00 O ATOM 431 OD2 ASP A 29 11.028 -1.731 -0.426 1.00 0.00 O ATOM 0 H ASP A 29 15.007 -1.624 -2.974 1.00 0.00 H new ATOM 0 HA ASP A 29 12.381 -2.399 -3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.463 -1.966 -1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.652 -0.266 -1.547 1.00 0.00 H new ATOM 436 N LYS A 30 12.444 0.822 -4.085 1.00 0.00 N ATOM 437 CA LYS A 30 11.781 1.862 -4.927 1.00 0.00 C ATOM 438 C LYS A 30 12.075 1.777 -6.492 1.00 0.00 C ATOM 439 O LYS A 30 11.806 2.723 -7.241 1.00 0.00 O ATOM 440 CB LYS A 30 12.044 3.215 -4.187 1.00 0.00 C ATOM 441 CG LYS A 30 11.487 3.323 -2.724 1.00 0.00 C ATOM 442 CD LYS A 30 9.956 3.509 -2.616 1.00 0.00 C ATOM 443 CE LYS A 30 9.365 3.459 -1.188 1.00 0.00 C ATOM 444 NZ LYS A 30 9.220 2.066 -0.660 1.00 0.00 N ATOM 0 H LYS A 30 13.266 1.161 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 30 10.705 1.706 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.120 3.386 -4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.609 4.020 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.767 2.422 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.975 4.162 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.694 4.468 -3.062 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.473 2.737 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.005 4.031 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.389 3.944 -1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.900 2.101 0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.522 1.549 -1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.137 1.579 -0.710 1.00 0.00 H new ATOM 458 N LYS A 31 12.490 0.600 -7.005 1.00 0.00 N ATOM 459 CA LYS A 31 12.212 0.128 -8.392 1.00 0.00 C ATOM 460 C LYS A 31 11.009 -0.869 -8.519 1.00 0.00 C ATOM 461 O LYS A 31 10.317 -0.797 -9.531 1.00 0.00 O ATOM 462 CB LYS A 31 13.490 -0.497 -9.039 1.00 0.00 C ATOM 463 CG LYS A 31 14.668 0.447 -9.408 1.00 0.00 C ATOM 464 CD LYS A 31 14.293 1.789 -10.085 1.00 0.00 C ATOM 465 CE LYS A 31 13.470 1.653 -11.386 1.00 0.00 C ATOM 466 NZ LYS A 31 12.921 2.985 -11.775 1.00 0.00 N ATOM 0 H LYS A 31 13.039 -0.067 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 31 11.917 1.026 -8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.873 -1.254 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.183 -1.015 -9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.226 0.668 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.343 -0.093 -10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.726 2.392 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.209 2.336 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.098 1.260 -12.186 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.657 0.942 -11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.368 2.890 -12.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.308 3.343 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.704 3.651 -11.931 1.00 0.00 H new ATOM 480 N GLN A 32 10.751 -1.782 -7.564 1.00 0.00 N ATOM 481 CA GLN A 32 9.480 -2.571 -7.516 1.00 0.00 C ATOM 482 C GLN A 32 8.239 -1.753 -7.024 1.00 0.00 C ATOM 483 O GLN A 32 7.207 -1.701 -7.698 1.00 0.00 O ATOM 484 CB GLN A 32 9.737 -3.822 -6.638 1.00 0.00 C ATOM 485 CG GLN A 32 8.681 -4.954 -6.781 1.00 0.00 C ATOM 486 CD GLN A 32 8.692 -5.755 -8.099 1.00 0.00 C ATOM 487 OE1 GLN A 32 9.688 -5.855 -8.803 1.00 0.00 O ATOM 488 NE2 GLN A 32 7.599 -6.394 -8.447 1.00 0.00 N ATOM 0 H GLN A 32 11.400 -2.001 -6.808 1.00 0.00 H new ATOM 0 HA GLN A 32 9.214 -2.861 -8.532 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.718 -4.227 -6.888 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.776 -3.512 -5.594 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.820 -5.654 -5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.692 -4.513 -6.660 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.760 -6.321 -7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.589 -6.963 -9.293 1.00 0.00 H new ATOM 497 N TYR A 33 8.355 -1.080 -5.869 1.00 0.00 N ATOM 498 CA TYR A 33 7.323 -0.159 -5.316 1.00 0.00 C ATOM 499 C TYR A 33 6.921 1.025 -6.276 1.00 0.00 C ATOM 500 O TYR A 33 5.727 1.251 -6.479 1.00 0.00 O ATOM 501 CB TYR A 33 7.912 0.319 -3.958 1.00 0.00 C ATOM 502 CG TYR A 33 6.940 0.571 -2.794 1.00 0.00 C ATOM 503 CD1 TYR A 33 6.408 1.841 -2.527 1.00 0.00 C ATOM 504 CD2 TYR A 33 6.722 -0.467 -1.879 1.00 0.00 C ATOM 505 CE1 TYR A 33 5.674 2.060 -1.357 1.00 0.00 C ATOM 506 CE2 TYR A 33 5.996 -0.241 -0.716 1.00 0.00 C ATOM 507 CZ TYR A 33 5.464 1.016 -0.462 1.00 0.00 C ATOM 508 OH TYR A 33 4.653 1.197 0.622 1.00 0.00 O ATOM 0 H TYR A 33 9.180 -1.155 -5.274 1.00 0.00 H new ATOM 0 HA TYR A 33 6.370 -0.673 -5.191 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.639 -0.424 -3.630 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.461 1.243 -4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.565 2.650 -3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.121 -1.450 -2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.270 3.040 -1.148 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.845 -1.044 -0.009 1.00 0.00 H new ATOM 0 HH TYR A 33 4.014 0.456 0.680 1.00 0.00 H new ATOM 518 N ARG A 34 7.895 1.710 -6.930 1.00 0.00 N ATOM 519 CA ARG A 34 7.612 2.575 -8.123 1.00 0.00 C ATOM 520 C ARG A 34 7.951 1.913 -9.522 1.00 0.00 C ATOM 521 O ARG A 34 8.508 2.537 -10.434 1.00 0.00 O ATOM 522 CB ARG A 34 8.292 3.959 -7.871 1.00 0.00 C ATOM 523 CG ARG A 34 7.638 5.132 -8.653 1.00 0.00 C ATOM 524 CD ARG A 34 8.495 6.397 -8.845 1.00 0.00 C ATOM 525 NE ARG A 34 8.468 7.341 -7.684 1.00 0.00 N ATOM 526 CZ ARG A 34 9.438 8.198 -7.380 1.00 0.00 C ATOM 527 NH1 ARG A 34 10.673 8.027 -7.750 1.00 0.00 N ATOM 528 NH2 ARG A 34 9.156 9.250 -6.675 1.00 0.00 N ATOM 0 H ARG A 34 8.878 1.686 -6.660 1.00 0.00 H new ATOM 0 HA ARG A 34 6.535 2.714 -8.217 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.257 4.182 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.344 3.892 -8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.348 4.765 -9.637 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.722 5.417 -8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.527 6.098 -9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.150 6.924 -9.735 1.00 0.00 H new ATOM 0 HE ARG A 34 7.645 7.326 -7.082 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.932 7.207 -8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.382 8.713 -7.492 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.199 9.412 -6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.891 9.915 -6.435 1.00 0.00 H new ATOM 542 N SER A 35 7.561 0.646 -9.701 1.00 0.00 N ATOM 543 CA SER A 35 7.099 0.090 -11.011 1.00 0.00 C ATOM 544 C SER A 35 5.709 -0.645 -10.933 1.00 0.00 C ATOM 545 O SER A 35 5.070 -0.792 -11.977 1.00 0.00 O ATOM 546 CB SER A 35 8.163 -0.825 -11.651 1.00 0.00 C ATOM 547 OG SER A 35 7.790 -1.191 -12.982 1.00 0.00 O ATOM 0 H SER A 35 7.551 -0.040 -8.946 1.00 0.00 H new ATOM 0 HA SER A 35 6.953 0.958 -11.654 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.126 -0.314 -11.667 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.288 -1.722 -11.045 1.00 0.00 H new ATOM 0 HG SER A 35 6.824 -1.069 -13.096 1.00 0.00 H new ATOM 553 N ARG A 36 5.208 -1.072 -9.751 1.00 0.00 N ATOM 554 CA ARG A 36 3.745 -1.085 -9.460 1.00 0.00 C ATOM 555 C ARG A 36 3.114 0.348 -9.460 1.00 0.00 C ATOM 556 O ARG A 36 2.326 0.644 -10.359 1.00 0.00 O ATOM 557 CB ARG A 36 3.496 -1.880 -8.134 1.00 0.00 C ATOM 558 CG ARG A 36 3.040 -3.346 -8.348 1.00 0.00 C ATOM 559 CD ARG A 36 1.518 -3.456 -8.562 1.00 0.00 C ATOM 560 NE ARG A 36 1.150 -4.833 -8.999 1.00 0.00 N ATOM 561 CZ ARG A 36 0.703 -5.179 -10.205 1.00 0.00 C ATOM 562 NH1 ARG A 36 0.601 -4.360 -11.217 1.00 0.00 N ATOM 563 NH2 ARG A 36 0.341 -6.405 -10.384 1.00 0.00 N ATOM 0 H ARG A 36 5.787 -1.412 -8.983 1.00 0.00 H new ATOM 0 HA ARG A 36 3.226 -1.601 -10.268 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.413 -1.879 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.740 -1.358 -7.547 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.558 -3.764 -9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.328 -3.944 -7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.996 -3.210 -7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.197 -2.732 -9.311 1.00 0.00 H new ATOM 0 HE ARG A 36 1.250 -5.579 -8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.873 -3.383 -11.112 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.249 -4.698 -12.113 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.402 -7.072 -9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.007 -6.706 -11.294 1.00 0.00 H new ATOM 577 N VAL A 37 3.494 1.239 -8.520 1.00 0.00 N ATOM 578 CA VAL A 37 3.015 2.659 -8.504 1.00 0.00 C ATOM 579 C VAL A 37 3.799 3.504 -9.573 1.00 0.00 C ATOM 580 O VAL A 37 4.814 4.135 -9.268 1.00 0.00 O ATOM 581 CB VAL A 37 3.106 3.289 -7.060 1.00 0.00 C ATOM 582 CG1 VAL A 37 2.343 4.631 -6.987 1.00 0.00 C ATOM 583 CG2 VAL A 37 2.614 2.428 -5.870 1.00 0.00 C ATOM 0 H VAL A 37 4.131 1.011 -7.757 1.00 0.00 H new ATOM 0 HA VAL A 37 1.959 2.672 -8.774 1.00 0.00 H new ATOM 0 HB VAL A 37 4.184 3.397 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.424 5.041 -5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.774 5.334 -7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.293 4.466 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.736 2.987 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.561 2.182 -6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.198 1.509 -5.820 1.00 0.00 H new ATOM 593 N ALA A 38 3.368 3.458 -10.843 1.00 0.00 N ATOM 594 CA ALA A 38 4.033 4.179 -11.961 1.00 0.00 C ATOM 595 C ALA A 38 3.237 5.447 -12.415 1.00 0.00 C ATOM 596 O ALA A 38 3.602 6.553 -12.009 1.00 0.00 O ATOM 597 CB ALA A 38 4.377 3.127 -13.041 1.00 0.00 C ATOM 0 H ALA A 38 2.550 2.923 -11.133 1.00 0.00 H new ATOM 0 HA ALA A 38 4.975 4.635 -11.657 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.868 3.616 -13.882 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.044 2.376 -12.618 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.461 2.646 -13.385 1.00 0.00 H new ATOM 603 N ASP A 39 2.175 5.306 -13.227 1.00 0.00 N ATOM 604 CA ASP A 39 1.343 6.461 -13.691 1.00 0.00 C ATOM 605 C ASP A 39 -0.210 6.156 -13.581 1.00 0.00 C ATOM 606 O ASP A 39 -0.980 6.383 -14.515 1.00 0.00 O ATOM 607 CB ASP A 39 1.886 6.842 -15.109 1.00 0.00 C ATOM 608 CG ASP A 39 1.754 8.300 -15.557 1.00 0.00 C ATOM 609 OD1 ASP A 39 1.317 9.167 -14.771 1.00 0.00 O ATOM 610 OD2 ASP A 39 2.151 8.589 -16.709 1.00 0.00 O ATOM 0 H ASP A 39 1.861 4.404 -13.584 1.00 0.00 H new ATOM 0 HA ASP A 39 1.436 7.338 -13.050 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.942 6.575 -15.146 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.374 6.219 -15.842 1.00 0.00 H new ATOM 615 N ASP A 40 -0.679 5.638 -12.417 1.00 0.00 N ATOM 616 CA ASP A 40 -2.088 5.148 -12.218 1.00 0.00 C ATOM 617 C ASP A 40 -2.551 5.290 -10.688 1.00 0.00 C ATOM 618 O ASP A 40 -1.730 5.657 -9.832 1.00 0.00 O ATOM 619 CB ASP A 40 -2.162 3.697 -12.810 1.00 0.00 C ATOM 620 CG ASP A 40 -3.392 3.286 -13.622 1.00 0.00 C ATOM 621 OD1 ASP A 40 -4.125 4.145 -14.160 1.00 0.00 O ATOM 622 OD2 ASP A 40 -3.649 2.068 -13.699 1.00 0.00 O ATOM 0 H ASP A 40 -0.099 5.544 -11.583 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.812 5.763 -12.753 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.287 3.556 -13.445 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.068 2.998 -11.979 1.00 0.00 H new ATOM 627 N PRO A 41 -3.843 5.083 -10.261 1.00 0.00 N ATOM 628 CA PRO A 41 -4.346 5.508 -8.922 1.00 0.00 C ATOM 629 C PRO A 41 -3.773 4.831 -7.636 1.00 0.00 C ATOM 630 O PRO A 41 -3.774 3.608 -7.463 1.00 0.00 O ATOM 631 CB PRO A 41 -5.869 5.271 -9.033 1.00 0.00 C ATOM 632 CG PRO A 41 -6.193 5.316 -10.525 1.00 0.00 C ATOM 633 CD PRO A 41 -4.945 4.736 -11.172 1.00 0.00 C ATOM 0 HA PRO A 41 -4.015 6.532 -8.750 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.147 4.309 -8.602 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.424 6.036 -8.490 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.079 4.728 -10.762 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.386 6.334 -10.864 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.030 3.656 -11.294 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.783 5.157 -12.164 1.00 0.00 H new ATOM 641 N VAL A 42 -3.368 5.666 -6.672 1.00 0.00 N ATOM 642 CA VAL A 42 -2.610 5.232 -5.464 1.00 0.00 C ATOM 643 C VAL A 42 -3.443 5.451 -4.152 1.00 0.00 C ATOM 644 O VAL A 42 -3.647 6.585 -3.708 1.00 0.00 O ATOM 645 CB VAL A 42 -1.175 5.884 -5.493 1.00 0.00 C ATOM 646 CG1 VAL A 42 -1.120 7.429 -5.607 1.00 0.00 C ATOM 647 CG2 VAL A 42 -0.293 5.454 -4.300 1.00 0.00 C ATOM 0 H VAL A 42 -3.551 6.669 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.445 4.155 -5.473 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.779 5.487 -6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.080 7.756 -5.617 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.608 7.743 -6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.632 7.875 -4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.682 5.936 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.773 5.751 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.165 4.372 -4.314 1.00 0.00 H new ATOM 657 N VAL A 43 -3.897 4.363 -3.509 1.00 0.00 N ATOM 658 CA VAL A 43 -4.645 4.418 -2.216 1.00 0.00 C ATOM 659 C VAL A 43 -3.657 4.513 -1.012 1.00 0.00 C ATOM 660 O VAL A 43 -2.819 3.638 -0.801 1.00 0.00 O ATOM 661 CB VAL A 43 -5.641 3.209 -2.099 1.00 0.00 C ATOM 662 CG1 VAL A 43 -6.469 3.211 -0.786 1.00 0.00 C ATOM 663 CG2 VAL A 43 -6.625 3.091 -3.289 1.00 0.00 C ATOM 0 H VAL A 43 -3.762 3.415 -3.860 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.252 5.323 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.976 2.345 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.135 2.348 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.795 3.161 0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.060 4.125 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.280 2.233 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.225 3.998 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.063 2.958 -4.214 1.00 0.00 H new ATOM 673 N LEU A 44 -3.755 5.567 -0.199 1.00 0.00 N ATOM 674 CA LEU A 44 -2.891 5.740 0.999 1.00 0.00 C ATOM 675 C LEU A 44 -3.651 6.389 2.200 1.00 0.00 C ATOM 676 O LEU A 44 -4.843 6.711 2.130 1.00 0.00 O ATOM 677 CB LEU A 44 -1.548 6.397 0.547 1.00 0.00 C ATOM 678 CG LEU A 44 -1.546 7.800 -0.126 1.00 0.00 C ATOM 679 CD1 LEU A 44 -1.933 8.930 0.842 1.00 0.00 C ATOM 680 CD2 LEU A 44 -0.157 8.078 -0.721 1.00 0.00 C ATOM 0 H LEU A 44 -4.424 6.324 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.614 4.780 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.908 6.461 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.068 5.706 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.303 7.783 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.914 9.884 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.936 8.750 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.224 8.959 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.153 9.060 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.590 8.054 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.079 7.317 -1.465 1.00 0.00 H new ATOM 692 N GLY A 45 -2.967 6.571 3.341 1.00 0.00 N ATOM 693 CA GLY A 45 -3.541 7.301 4.504 1.00 0.00 C ATOM 694 C GLY A 45 -3.106 8.771 4.644 1.00 0.00 C ATOM 695 O GLY A 45 -1.987 9.143 4.303 1.00 0.00 O ATOM 0 H GLY A 45 -2.018 6.227 3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.628 7.267 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.266 6.770 5.416 1.00 0.00 H new ATOM 699 N ARG A 46 -3.980 9.610 5.220 1.00 0.00 N ATOM 700 CA ARG A 46 -3.690 11.069 5.426 1.00 0.00 C ATOM 701 C ARG A 46 -2.422 11.484 6.261 1.00 0.00 C ATOM 702 O ARG A 46 -1.944 12.605 6.092 1.00 0.00 O ATOM 703 CB ARG A 46 -5.027 11.723 5.901 1.00 0.00 C ATOM 704 CG ARG A 46 -5.101 13.275 5.858 1.00 0.00 C ATOM 705 CD ARG A 46 -4.589 14.063 7.087 1.00 0.00 C ATOM 706 NE ARG A 46 -5.391 13.807 8.321 1.00 0.00 N ATOM 707 CZ ARG A 46 -4.893 13.464 9.510 1.00 0.00 C ATOM 708 NH1 ARG A 46 -3.619 13.313 9.754 1.00 0.00 N ATOM 709 NH2 ARG A 46 -5.724 13.272 10.486 1.00 0.00 N ATOM 0 H ARG A 46 -4.898 9.320 5.557 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.356 11.467 4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.836 11.327 5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.217 11.402 6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.538 13.612 4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.141 13.555 5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.549 13.797 7.275 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.609 15.129 6.862 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.404 13.902 8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.936 13.459 9.010 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.306 13.049 10.688 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.726 13.384 10.332 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.376 13.009 11.408 1.00 0.00 H new ATOM 723 N THR A 47 -1.846 10.622 7.111 1.00 0.00 N ATOM 724 CA THR A 47 -0.524 10.883 7.766 1.00 0.00 C ATOM 725 C THR A 47 0.685 11.011 6.747 1.00 0.00 C ATOM 726 O THR A 47 1.291 12.078 6.653 1.00 0.00 O ATOM 727 CB THR A 47 -0.439 9.895 8.978 1.00 0.00 C ATOM 728 OG1 THR A 47 0.381 10.436 10.000 1.00 0.00 O ATOM 729 CG2 THR A 47 0.071 8.470 8.717 1.00 0.00 C ATOM 0 H THR A 47 -2.265 9.729 7.372 1.00 0.00 H new ATOM 0 HA THR A 47 -0.433 11.884 8.188 1.00 0.00 H new ATOM 0 HB THR A 47 -1.489 9.791 9.251 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.424 9.809 10.752 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.072 7.907 9.651 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.581 7.976 7.997 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.084 8.514 8.318 1.00 0.00 H new ATOM 737 N THR A 48 0.914 10.022 5.852 1.00 0.00 N ATOM 738 CA THR A 48 1.848 10.161 4.674 1.00 0.00 C ATOM 739 C THR A 48 1.487 11.200 3.532 1.00 0.00 C ATOM 740 O THR A 48 2.349 11.531 2.713 1.00 0.00 O ATOM 741 CB THR A 48 2.192 8.727 4.139 1.00 0.00 C ATOM 742 OG1 THR A 48 3.299 8.772 3.250 1.00 0.00 O ATOM 743 CG2 THR A 48 1.089 7.969 3.385 1.00 0.00 C ATOM 0 H THR A 48 0.468 9.106 5.911 1.00 0.00 H new ATOM 0 HA THR A 48 2.734 10.657 5.071 1.00 0.00 H new ATOM 0 HB THR A 48 2.381 8.186 5.066 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.352 9.660 2.838 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.465 6.994 3.074 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.228 7.834 4.040 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.790 8.540 2.506 1.00 0.00 H new ATOM 751 N PHE A 49 0.252 11.732 3.479 1.00 0.00 N ATOM 752 CA PHE A 49 -0.156 12.836 2.546 1.00 0.00 C ATOM 753 C PHE A 49 0.572 14.214 2.721 1.00 0.00 C ATOM 754 O PHE A 49 0.838 14.886 1.725 1.00 0.00 O ATOM 755 CB PHE A 49 -1.702 12.978 2.657 1.00 0.00 C ATOM 756 CG PHE A 49 -2.371 14.001 1.713 1.00 0.00 C ATOM 757 CD1 PHE A 49 -2.518 15.332 2.128 1.00 0.00 C ATOM 758 CD2 PHE A 49 -2.770 13.644 0.423 1.00 0.00 C ATOM 759 CE1 PHE A 49 -3.031 16.291 1.258 1.00 0.00 C ATOM 760 CE2 PHE A 49 -3.301 14.597 -0.444 1.00 0.00 C ATOM 761 CZ PHE A 49 -3.421 15.922 -0.029 1.00 0.00 C ATOM 0 H PHE A 49 -0.508 11.416 4.081 1.00 0.00 H new ATOM 0 HA PHE A 49 0.164 12.544 1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.148 12.001 2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.946 13.251 3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.231 15.616 3.130 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.666 12.620 0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.127 17.318 1.579 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.619 14.309 -1.435 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.817 16.665 -0.706 1.00 0.00 H new ATOM 771 N GLU A 50 0.885 14.666 3.946 1.00 0.00 N ATOM 772 CA GLU A 50 1.748 15.872 4.153 1.00 0.00 C ATOM 773 C GLU A 50 3.286 15.692 3.792 1.00 0.00 C ATOM 774 O GLU A 50 4.024 16.680 3.780 1.00 0.00 O ATOM 775 CB GLU A 50 1.416 16.472 5.558 1.00 0.00 C ATOM 776 CG GLU A 50 -0.071 16.956 5.692 1.00 0.00 C ATOM 777 CD GLU A 50 -0.558 17.567 6.997 1.00 0.00 C ATOM 778 OE1 GLU A 50 -0.059 18.644 7.382 1.00 0.00 O ATOM 779 OE2 GLU A 50 -1.518 17.021 7.589 1.00 0.00 O ATOM 0 H GLU A 50 0.564 14.229 4.810 1.00 0.00 H new ATOM 0 HA GLU A 50 1.497 16.623 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.616 15.721 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.083 17.312 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.245 17.691 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.711 16.100 5.476 1.00 0.00 H new ATOM 786 N SER A 51 3.753 14.492 3.376 1.00 0.00 N ATOM 787 CA SER A 51 4.847 14.331 2.365 1.00 0.00 C ATOM 788 C SER A 51 4.349 14.385 0.867 1.00 0.00 C ATOM 789 O SER A 51 4.840 15.219 0.105 1.00 0.00 O ATOM 790 CB SER A 51 5.627 13.036 2.712 1.00 0.00 C ATOM 791 OG SER A 51 6.743 12.836 1.839 1.00 0.00 O ATOM 0 H SER A 51 3.389 13.605 3.725 1.00 0.00 H new ATOM 0 HA SER A 51 5.518 15.188 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.977 13.088 3.743 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.956 12.179 2.646 1.00 0.00 H new ATOM 0 HG SER A 51 7.211 12.012 2.089 1.00 0.00 H new ATOM 797 N MET A 52 3.371 13.556 0.437 1.00 0.00 N ATOM 798 CA MET A 52 2.888 13.495 -0.989 1.00 0.00 C ATOM 799 C MET A 52 2.186 14.750 -1.640 1.00 0.00 C ATOM 800 O MET A 52 1.883 14.729 -2.832 1.00 0.00 O ATOM 801 CB MET A 52 1.956 12.260 -1.166 1.00 0.00 C ATOM 802 CG MET A 52 2.493 10.877 -0.744 1.00 0.00 C ATOM 803 SD MET A 52 4.138 10.565 -1.416 1.00 0.00 S ATOM 804 CE MET A 52 4.479 9.018 -0.560 1.00 0.00 C ATOM 0 H MET A 52 2.886 12.906 1.056 1.00 0.00 H new ATOM 0 HA MET A 52 3.829 13.440 -1.536 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.042 12.449 -0.603 1.00 0.00 H new ATOM 0 HB3 MET A 52 1.676 12.202 -2.218 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.527 10.817 0.344 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.808 10.101 -1.085 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.466 8.654 -0.845 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.450 9.184 0.517 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.727 8.278 -0.833 1.00 0.00 H new ATOM 814 N ARG A 53 1.920 15.835 -0.898 1.00 0.00 N ATOM 815 CA ARG A 53 1.466 17.147 -1.462 1.00 0.00 C ATOM 816 C ARG A 53 2.312 17.793 -2.634 1.00 0.00 C ATOM 817 O ARG A 53 1.731 18.390 -3.541 1.00 0.00 O ATOM 818 CB ARG A 53 1.278 18.096 -0.230 1.00 0.00 C ATOM 819 CG ARG A 53 2.605 18.653 0.334 1.00 0.00 C ATOM 820 CD ARG A 53 2.609 19.395 1.674 1.00 0.00 C ATOM 821 NE ARG A 53 4.034 19.810 1.812 1.00 0.00 N ATOM 822 CZ ARG A 53 4.793 19.729 2.887 1.00 0.00 C ATOM 823 NH1 ARG A 53 4.340 19.498 4.084 1.00 0.00 N ATOM 824 NH2 ARG A 53 6.064 19.886 2.711 1.00 0.00 N ATOM 0 H ARG A 53 2.010 15.843 0.118 1.00 0.00 H new ATOM 0 HA ARG A 53 0.540 16.968 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.638 18.930 -0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.757 17.553 0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.297 17.816 0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.018 19.330 -0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.936 20.253 1.664 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.293 18.751 2.495 1.00 0.00 H new ATOM 0 HE ARG A 53 4.473 20.202 0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.340 19.367 4.234 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.985 19.448 4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.431 20.062 1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.699 19.834 3.507 1.00 0.00 H new ATOM 838 N ASP A 54 3.653 17.708 -2.569 1.00 0.00 N ATOM 839 CA ASP A 54 4.596 18.450 -3.455 1.00 0.00 C ATOM 840 C ASP A 54 4.970 17.699 -4.807 1.00 0.00 C ATOM 841 O ASP A 54 5.093 18.352 -5.849 1.00 0.00 O ATOM 842 CB ASP A 54 5.846 18.822 -2.589 1.00 0.00 C ATOM 843 CG ASP A 54 5.667 19.559 -1.237 1.00 0.00 C ATOM 844 OD1 ASP A 54 5.378 20.776 -1.214 1.00 0.00 O ATOM 845 OD2 ASP A 54 5.815 18.923 -0.167 1.00 0.00 O ATOM 0 H ASP A 54 4.130 17.114 -1.891 1.00 0.00 H new ATOM 0 HA ASP A 54 4.102 19.350 -3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.384 17.896 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.497 19.438 -3.209 1.00 0.00 H new ATOM 850 N ASP A 55 5.142 16.359 -4.785 1.00 0.00 N ATOM 851 CA ASP A 55 5.140 15.466 -5.995 1.00 0.00 C ATOM 852 C ASP A 55 4.125 14.275 -5.752 1.00 0.00 C ATOM 853 O ASP A 55 4.126 13.660 -4.674 1.00 0.00 O ATOM 854 CB ASP A 55 6.598 14.984 -6.270 1.00 0.00 C ATOM 855 CG ASP A 55 6.818 14.032 -7.454 1.00 0.00 C ATOM 856 OD1 ASP A 55 6.297 14.307 -8.554 1.00 0.00 O ATOM 857 OD2 ASP A 55 7.545 13.023 -7.284 1.00 0.00 O ATOM 0 H ASP A 55 5.290 15.845 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 55 4.804 15.998 -6.885 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.220 15.865 -6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.965 14.491 -5.370 1.00 0.00 H new ATOM 862 N LEU A 56 3.266 13.924 -6.736 1.00 0.00 N ATOM 863 CA LEU A 56 2.309 12.775 -6.596 1.00 0.00 C ATOM 864 C LEU A 56 2.922 11.413 -7.124 1.00 0.00 C ATOM 865 O LEU A 56 3.237 11.348 -8.317 1.00 0.00 O ATOM 866 CB LEU A 56 0.934 13.018 -7.310 1.00 0.00 C ATOM 867 CG LEU A 56 -0.047 14.158 -6.906 1.00 0.00 C ATOM 868 CD1 LEU A 56 -0.117 14.451 -5.397 1.00 0.00 C ATOM 869 CD2 LEU A 56 0.216 15.454 -7.691 1.00 0.00 C ATOM 0 H LEU A 56 3.207 14.408 -7.632 1.00 0.00 H new ATOM 0 HA LEU A 56 2.130 12.702 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.157 13.163 -8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.375 12.086 -7.227 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.027 13.767 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.826 15.259 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.444 13.556 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.869 14.746 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.492 16.220 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.232 15.797 -7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.094 15.264 -8.757 1.00 0.00 H new ATOM 881 N PRO A 57 3.013 10.278 -6.350 1.00 0.00 N ATOM 882 CA PRO A 57 3.474 8.961 -6.903 1.00 0.00 C ATOM 883 C PRO A 57 2.850 8.327 -8.191 1.00 0.00 C ATOM 884 O PRO A 57 3.544 7.583 -8.887 1.00 0.00 O ATOM 885 CB PRO A 57 3.318 8.039 -5.680 1.00 0.00 C ATOM 886 CG PRO A 57 3.537 8.938 -4.463 1.00 0.00 C ATOM 887 CD PRO A 57 2.969 10.301 -4.875 1.00 0.00 C ATOM 0 HA PRO A 57 4.468 9.117 -7.322 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.329 7.581 -5.657 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.045 7.227 -5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.025 8.546 -3.584 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.595 9.010 -4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.951 10.436 -4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.565 11.120 -4.471 1.00 0.00 H new ATOM 895 N GLY A 58 1.576 8.595 -8.480 1.00 0.00 N ATOM 896 CA GLY A 58 0.989 8.354 -9.827 1.00 0.00 C ATOM 897 C GLY A 58 -0.299 9.174 -10.098 1.00 0.00 C ATOM 898 O GLY A 58 -0.663 10.107 -9.366 1.00 0.00 O ATOM 0 H GLY A 58 0.916 8.981 -7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.732 8.598 -10.587 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.763 7.293 -9.931 1.00 0.00 H new ATOM 902 N SER A 59 -0.990 8.830 -11.188 1.00 0.00 N ATOM 903 CA SER A 59 -2.067 9.685 -11.774 1.00 0.00 C ATOM 904 C SER A 59 -3.491 9.718 -11.086 1.00 0.00 C ATOM 905 O SER A 59 -4.431 10.271 -11.667 1.00 0.00 O ATOM 906 CB SER A 59 -2.103 9.350 -13.289 1.00 0.00 C ATOM 907 OG SER A 59 -3.080 10.141 -13.971 1.00 0.00 O ATOM 0 H SER A 59 -0.833 7.961 -11.698 1.00 0.00 H new ATOM 0 HA SER A 59 -1.793 10.721 -11.573 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.120 9.525 -13.726 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.328 8.292 -13.425 1.00 0.00 H new ATOM 0 HG SER A 59 -3.819 10.346 -13.361 1.00 0.00 H new ATOM 913 N ALA A 60 -3.677 9.242 -9.838 1.00 0.00 N ATOM 914 CA ALA A 60 -4.775 9.719 -8.951 1.00 0.00 C ATOM 915 C ALA A 60 -4.437 9.516 -7.442 1.00 0.00 C ATOM 916 O ALA A 60 -4.372 8.387 -6.953 1.00 0.00 O ATOM 917 CB ALA A 60 -6.126 9.074 -9.321 1.00 0.00 C ATOM 0 H ALA A 60 -3.085 8.527 -9.415 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.871 10.792 -9.114 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.902 9.446 -8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.381 9.328 -10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.051 7.991 -9.223 1.00 0.00 H new ATOM 923 N GLN A 61 -4.275 10.611 -6.679 1.00 0.00 N ATOM 924 CA GLN A 61 -4.005 10.549 -5.212 1.00 0.00 C ATOM 925 C GLN A 61 -5.289 10.222 -4.374 1.00 0.00 C ATOM 926 O GLN A 61 -6.058 11.105 -3.967 1.00 0.00 O ATOM 927 CB GLN A 61 -3.317 11.906 -4.872 1.00 0.00 C ATOM 928 CG GLN A 61 -2.775 12.104 -3.426 1.00 0.00 C ATOM 929 CD GLN A 61 -1.648 11.232 -2.858 1.00 0.00 C ATOM 930 OE1 GLN A 61 -1.413 11.245 -1.659 1.00 0.00 O ATOM 931 NE2 GLN A 61 -0.910 10.481 -3.632 1.00 0.00 N ATOM 0 H GLN A 61 -4.325 11.561 -7.047 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.348 9.722 -4.942 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.485 12.042 -5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.032 12.704 -5.074 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.440 13.139 -3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.626 11.997 -2.753 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.087 10.454 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.157 9.922 -3.232 1.00 0.00 H new ATOM 940 N ILE A 62 -5.517 8.919 -4.143 1.00 0.00 N ATOM 941 CA ILE A 62 -6.625 8.395 -3.300 1.00 0.00 C ATOM 942 C ILE A 62 -6.121 8.397 -1.808 1.00 0.00 C ATOM 943 O ILE A 62 -5.082 7.822 -1.475 1.00 0.00 O ATOM 944 CB ILE A 62 -7.159 7.005 -3.826 1.00 0.00 C ATOM 945 CG1 ILE A 62 -7.654 7.041 -5.307 1.00 0.00 C ATOM 946 CG2 ILE A 62 -8.299 6.455 -2.919 1.00 0.00 C ATOM 947 CD1 ILE A 62 -7.986 5.681 -5.964 1.00 0.00 C ATOM 0 H ILE A 62 -4.933 8.182 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.506 9.034 -3.358 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.297 6.338 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.545 7.667 -5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.889 7.532 -5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.644 5.497 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.924 6.320 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.128 7.162 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.318 5.844 -6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.097 5.051 -5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.778 5.188 -5.400 1.00 0.00 H new ATOM 959 N VAL A 63 -6.842 9.070 -0.898 1.00 0.00 N ATOM 960 CA VAL A 63 -6.327 9.380 0.474 1.00 0.00 C ATOM 961 C VAL A 63 -7.441 9.164 1.550 1.00 0.00 C ATOM 962 O VAL A 63 -8.353 9.977 1.686 1.00 0.00 O ATOM 963 CB VAL A 63 -5.633 10.796 0.517 1.00 0.00 C ATOM 964 CG1 VAL A 63 -6.451 11.991 -0.033 1.00 0.00 C ATOM 965 CG2 VAL A 63 -5.125 11.186 1.929 1.00 0.00 C ATOM 0 H VAL A 63 -7.785 9.416 -1.073 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.538 8.673 0.731 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.802 10.633 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.863 12.905 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.695 11.814 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.372 12.096 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.658 12.170 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.965 11.210 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.394 10.452 2.268 1.00 0.00 H new ATOM 975 N MET A 64 -7.364 8.123 2.388 1.00 0.00 N ATOM 976 CA MET A 64 -8.341 7.898 3.493 1.00 0.00 C ATOM 977 C MET A 64 -8.313 8.995 4.609 1.00 0.00 C ATOM 978 O MET A 64 -7.272 9.274 5.220 1.00 0.00 O ATOM 979 CB MET A 64 -8.079 6.486 4.068 1.00 0.00 C ATOM 980 CG MET A 64 -8.833 5.364 3.344 1.00 0.00 C ATOM 981 SD MET A 64 -10.561 5.425 3.841 1.00 0.00 S ATOM 982 CE MET A 64 -11.063 3.822 3.226 1.00 0.00 C ATOM 0 H MET A 64 -6.635 7.412 2.332 1.00 0.00 H new ATOM 0 HA MET A 64 -9.348 7.971 3.082 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.010 6.279 4.021 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.360 6.477 5.121 1.00 0.00 H new ATOM 0 HG2 MET A 64 -8.745 5.484 2.264 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.401 4.395 3.593 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.870 3.431 3.846 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.410 3.919 2.197 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.215 3.138 3.260 1.00 0.00 H new ATOM 992 N SER A 65 -9.472 9.632 4.860 1.00 0.00 N ATOM 993 CA SER A 65 -9.619 10.630 5.952 1.00 0.00 C ATOM 994 C SER A 65 -11.061 10.571 6.576 1.00 0.00 C ATOM 995 O SER A 65 -11.484 9.478 6.963 1.00 0.00 O ATOM 996 CB SER A 65 -9.042 12.003 5.488 1.00 0.00 C ATOM 997 OG SER A 65 -8.383 12.632 6.585 1.00 0.00 O ATOM 0 H SER A 65 -10.326 9.477 4.324 1.00 0.00 H new ATOM 0 HA SER A 65 -9.005 10.395 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.343 11.857 4.664 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.844 12.641 5.117 1.00 0.00 H new ATOM 0 HG SER A 65 -8.301 13.593 6.410 1.00 0.00 H new ATOM 1088 N PHE A 71 -9.491 18.341 0.046 1.00 0.00 N ATOM 1089 CA PHE A 71 -8.207 18.680 -0.646 1.00 0.00 C ATOM 1090 C PHE A 71 -8.449 19.151 -2.118 1.00 0.00 C ATOM 1091 O PHE A 71 -8.917 18.377 -2.961 1.00 0.00 O ATOM 1092 CB PHE A 71 -7.205 17.481 -0.592 1.00 0.00 C ATOM 1093 CG PHE A 71 -6.951 16.827 0.781 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -6.315 17.538 1.804 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -7.422 15.535 1.035 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -6.186 16.980 3.073 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -7.305 14.979 2.306 1.00 0.00 C ATOM 1098 CZ PHE A 71 -6.695 15.707 3.326 1.00 0.00 C ATOM 0 HA PHE A 71 -7.759 19.516 -0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.568 16.709 -1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.247 17.825 -0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.922 18.525 1.608 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.879 14.965 0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.693 17.532 3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.686 13.987 2.501 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.616 15.283 4.316 1.00 0.00 H new ATOM 1108 N SER A 72 -8.111 20.414 -2.427 1.00 0.00 N ATOM 1109 CA SER A 72 -8.114 20.927 -3.830 1.00 0.00 C ATOM 1110 C SER A 72 -6.746 20.722 -4.573 1.00 0.00 C ATOM 1111 O SER A 72 -6.043 21.683 -4.897 1.00 0.00 O ATOM 1112 CB SER A 72 -8.583 22.402 -3.781 1.00 0.00 C ATOM 1113 OG SER A 72 -8.707 22.931 -5.103 1.00 0.00 O ATOM 0 H SER A 72 -7.831 21.107 -1.733 1.00 0.00 H new ATOM 0 HA SER A 72 -8.808 20.345 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.541 22.468 -3.265 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.871 22.998 -3.210 1.00 0.00 H new ATOM 0 HG SER A 72 -9.006 23.863 -5.056 1.00 0.00 H new ATOM 1119 N VAL A 73 -6.421 19.458 -4.870 1.00 0.00 N ATOM 1120 CA VAL A 73 -5.292 19.085 -5.786 1.00 0.00 C ATOM 1121 C VAL A 73 -5.878 18.744 -7.215 1.00 0.00 C ATOM 1122 O VAL A 73 -7.093 18.553 -7.386 1.00 0.00 O ATOM 1123 CB VAL A 73 -4.405 17.928 -5.166 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -3.005 17.798 -5.824 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -4.141 17.962 -3.636 1.00 0.00 C ATOM 0 H VAL A 73 -6.921 18.653 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.612 19.928 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.055 17.080 -5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.454 16.986 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.121 17.585 -6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.456 18.731 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.521 17.111 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.627 18.887 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.090 17.912 -3.102 1.00 0.00 H new ATOM 1135 N ASP A 74 -5.005 18.635 -8.227 1.00 0.00 N ATOM 1136 CA ASP A 74 -5.355 18.361 -9.655 1.00 0.00 C ATOM 1137 C ASP A 74 -6.349 17.163 -9.904 1.00 0.00 C ATOM 1138 O ASP A 74 -7.505 17.383 -10.283 1.00 0.00 O ATOM 1139 CB ASP A 74 -3.999 18.224 -10.422 1.00 0.00 C ATOM 1140 CG ASP A 74 -3.225 19.529 -10.604 1.00 0.00 C ATOM 1141 OD1 ASP A 74 -2.670 20.037 -9.605 1.00 0.00 O ATOM 1142 OD2 ASP A 74 -3.199 20.063 -11.732 1.00 0.00 O ATOM 0 H ASP A 74 -4.000 18.736 -8.084 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.945 19.193 -10.039 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.366 17.516 -9.887 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.196 17.796 -11.405 1.00 0.00 H new ATOM 1147 N THR A 75 -5.932 15.914 -9.625 1.00 0.00 N ATOM 1148 CA THR A 75 -6.829 14.710 -9.665 1.00 0.00 C ATOM 1149 C THR A 75 -6.764 13.828 -8.360 1.00 0.00 C ATOM 1150 O THR A 75 -6.590 12.606 -8.381 1.00 0.00 O ATOM 1151 CB THR A 75 -6.667 13.955 -11.024 1.00 0.00 C ATOM 1152 OG1 THR A 75 -7.614 12.898 -11.116 1.00 0.00 O ATOM 1153 CG2 THR A 75 -5.297 13.320 -11.315 1.00 0.00 C ATOM 0 H THR A 75 -4.970 15.696 -9.365 1.00 0.00 H new ATOM 0 HA THR A 75 -7.866 15.046 -9.644 1.00 0.00 H new ATOM 0 HB THR A 75 -6.811 14.752 -11.753 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.504 12.434 -11.972 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.323 12.830 -12.288 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.530 14.095 -11.319 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.066 12.585 -10.544 1.00 0.00 H new ATOM 1161 N ALA A 76 -7.011 14.455 -7.197 1.00 0.00 N ATOM 1162 CA ALA A 76 -7.081 13.753 -5.891 1.00 0.00 C ATOM 1163 C ALA A 76 -8.545 13.506 -5.397 1.00 0.00 C ATOM 1164 O ALA A 76 -9.457 14.329 -5.572 1.00 0.00 O ATOM 1165 CB ALA A 76 -6.289 14.630 -4.902 1.00 0.00 C ATOM 0 H ALA A 76 -7.168 15.461 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.657 12.753 -5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.301 14.167 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.259 14.726 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.746 15.618 -4.845 1.00 0.00 H new ATOM 1171 N HIS A 77 -8.767 12.362 -4.738 1.00 0.00 N ATOM 1172 CA HIS A 77 -10.049 12.049 -4.043 1.00 0.00 C ATOM 1173 C HIS A 77 -9.736 11.508 -2.606 1.00 0.00 C ATOM 1174 O HIS A 77 -8.814 10.712 -2.427 1.00 0.00 O ATOM 1175 CB HIS A 77 -10.853 11.000 -4.858 1.00 0.00 C ATOM 1176 CG HIS A 77 -11.538 11.458 -6.150 1.00 0.00 C ATOM 1177 ND1 HIS A 77 -12.913 11.396 -6.312 1.00 0.00 N ATOM 1178 CD2 HIS A 77 -10.915 11.668 -7.403 1.00 0.00 C ATOM 1179 CE1 HIS A 77 -13.015 11.479 -7.680 1.00 0.00 C ATOM 1180 NE2 HIS A 77 -11.876 11.709 -8.411 1.00 0.00 N ATOM 0 H HIS A 77 -8.072 11.619 -4.664 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.653 12.953 -3.961 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -10.176 10.184 -5.111 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -11.620 10.586 -4.203 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.852 11.780 -7.555 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.971 11.366 -8.170 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -11.764 11.866 -9.413 1.00 0.00 H new ATOM 1189 N ARG A 78 -10.502 11.904 -1.577 1.00 0.00 N ATOM 1190 CA ARG A 78 -10.435 11.239 -0.236 1.00 0.00 C ATOM 1191 C ARG A 78 -11.557 10.156 -0.046 1.00 0.00 C ATOM 1192 O ARG A 78 -12.647 10.301 -0.609 1.00 0.00 O ATOM 1193 CB ARG A 78 -10.308 12.320 0.891 1.00 0.00 C ATOM 1194 CG ARG A 78 -11.560 12.672 1.736 1.00 0.00 C ATOM 1195 CD ARG A 78 -12.482 13.803 1.254 1.00 0.00 C ATOM 1196 NE ARG A 78 -12.949 13.723 -0.158 1.00 0.00 N ATOM 1197 CZ ARG A 78 -12.506 14.471 -1.158 1.00 0.00 C ATOM 1198 NH1 ARG A 78 -11.412 15.176 -1.101 1.00 0.00 N ATOM 1199 NH2 ARG A 78 -13.184 14.476 -2.250 1.00 0.00 N ATOM 0 H ARG A 78 -11.172 12.671 -1.631 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.525 10.643 -0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.529 11.990 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.954 13.240 0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.164 11.769 1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.220 12.928 2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.358 13.829 1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.959 14.750 1.387 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.670 13.035 -0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.846 15.171 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.122 15.733 -1.905 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.033 13.916 -2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.873 15.040 -3.041 1.00 0.00 H new ATOM 1213 N ALA A 79 -11.289 9.115 0.764 1.00 0.00 N ATOM 1214 CA ALA A 79 -12.288 8.059 1.105 1.00 0.00 C ATOM 1215 C ALA A 79 -12.564 7.895 2.638 1.00 0.00 C ATOM 1216 O ALA A 79 -11.738 8.231 3.500 1.00 0.00 O ATOM 1217 CB ALA A 79 -11.756 6.751 0.476 1.00 0.00 C ATOM 0 H ALA A 79 -10.380 8.973 1.204 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.262 8.342 0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.447 5.936 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.668 6.876 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.777 6.517 0.895 1.00 0.00 H new ATOM 1223 N ALA A 80 -13.732 7.339 2.963 1.00 0.00 N ATOM 1224 CA ALA A 80 -14.107 6.917 4.341 1.00 0.00 C ATOM 1225 C ALA A 80 -14.147 5.362 4.556 1.00 0.00 C ATOM 1226 O ALA A 80 -13.541 4.861 5.505 1.00 0.00 O ATOM 1227 CB ALA A 80 -15.460 7.600 4.628 1.00 0.00 C ATOM 0 H ALA A 80 -14.465 7.160 2.276 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.340 7.228 5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.797 7.333 5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -15.343 8.682 4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.197 7.269 3.896 1.00 0.00 H new ATOM 1233 N SER A 81 -14.874 4.607 3.709 1.00 0.00 N ATOM 1234 CA SER A 81 -14.991 3.122 3.778 1.00 0.00 C ATOM 1235 C SER A 81 -14.230 2.350 2.636 1.00 0.00 C ATOM 1236 O SER A 81 -13.759 2.938 1.657 1.00 0.00 O ATOM 1237 CB SER A 81 -16.517 2.813 3.762 1.00 0.00 C ATOM 1238 OG SER A 81 -17.147 3.192 2.533 1.00 0.00 O ATOM 0 H SER A 81 -15.409 5.012 2.941 1.00 0.00 H new ATOM 0 HA SER A 81 -14.505 2.765 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.669 1.747 3.929 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.998 3.337 4.588 1.00 0.00 H new ATOM 0 HG SER A 81 -18.102 2.975 2.574 1.00 0.00 H new ATOM 1244 N VAL A 82 -14.178 1.005 2.729 1.00 0.00 N ATOM 1245 CA VAL A 82 -13.882 0.100 1.555 1.00 0.00 C ATOM 1246 C VAL A 82 -14.668 0.450 0.235 1.00 0.00 C ATOM 1247 O VAL A 82 -14.037 0.703 -0.793 1.00 0.00 O ATOM 1248 CB VAL A 82 -13.986 -1.396 2.066 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -14.395 -2.492 1.047 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -12.678 -1.896 2.726 1.00 0.00 C ATOM 0 H VAL A 82 -14.335 0.502 3.602 1.00 0.00 H new ATOM 0 HA VAL A 82 -12.863 0.265 1.205 1.00 0.00 H new ATOM 0 HB VAL A 82 -14.810 -1.287 2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -14.422 -3.461 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -15.382 -2.264 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.669 -2.523 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.808 -2.926 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.864 -1.847 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.440 -1.267 3.584 1.00 0.00 H new ATOM 1260 N GLU A 83 -16.011 0.534 0.277 1.00 0.00 N ATOM 1261 CA GLU A 83 -16.843 0.901 -0.908 1.00 0.00 C ATOM 1262 C GLU A 83 -16.760 2.374 -1.468 1.00 0.00 C ATOM 1263 O GLU A 83 -17.083 2.550 -2.647 1.00 0.00 O ATOM 1264 CB GLU A 83 -18.288 0.417 -0.608 1.00 0.00 C ATOM 1265 CG GLU A 83 -18.465 -1.138 -0.592 1.00 0.00 C ATOM 1266 CD GLU A 83 -19.473 -1.727 0.380 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -19.389 -1.427 1.590 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -20.296 -2.560 -0.050 1.00 0.00 O ATOM 0 H GLU A 83 -16.556 0.353 1.120 1.00 0.00 H new ATOM 0 HA GLU A 83 -16.407 0.390 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.597 0.814 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.961 0.838 -1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.745 -1.453 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.494 -1.583 -0.378 1.00 0.00 H new ATOM 1275 N GLU A 84 -16.247 3.404 -0.747 1.00 0.00 N ATOM 1276 CA GLU A 84 -15.794 4.679 -1.393 1.00 0.00 C ATOM 1277 C GLU A 84 -14.569 4.497 -2.374 1.00 0.00 C ATOM 1278 O GLU A 84 -14.684 4.823 -3.551 1.00 0.00 O ATOM 1279 CB GLU A 84 -15.539 5.822 -0.358 1.00 0.00 C ATOM 1280 CG GLU A 84 -16.720 6.789 -0.034 1.00 0.00 C ATOM 1281 CD GLU A 84 -16.294 8.207 0.348 1.00 0.00 C ATOM 1282 OE1 GLU A 84 -15.827 8.406 1.485 1.00 0.00 O ATOM 1283 OE2 GLU A 84 -16.419 9.131 -0.479 1.00 0.00 O ATOM 0 H GLU A 84 -16.135 3.386 0.267 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.633 4.988 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.217 5.362 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.705 6.422 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.377 6.842 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.305 6.367 0.783 1.00 0.00 H new ATOM 1290 N ALA A 85 -13.407 3.978 -1.909 1.00 0.00 N ATOM 1291 CA ALA A 85 -12.262 3.644 -2.807 1.00 0.00 C ATOM 1292 C ALA A 85 -12.437 2.475 -3.858 1.00 0.00 C ATOM 1293 O ALA A 85 -11.718 2.480 -4.863 1.00 0.00 O ATOM 1294 CB ALA A 85 -11.008 3.557 -1.909 1.00 0.00 C ATOM 0 H ALA A 85 -13.233 3.780 -0.924 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.169 4.449 -3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.139 3.314 -2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.847 4.515 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.152 2.781 -1.158 1.00 0.00 H new ATOM 1300 N VAL A 86 -13.402 1.548 -3.712 1.00 0.00 N ATOM 1301 CA VAL A 86 -13.868 0.664 -4.833 1.00 0.00 C ATOM 1302 C VAL A 86 -14.686 1.418 -5.948 1.00 0.00 C ATOM 1303 O VAL A 86 -14.338 1.266 -7.125 1.00 0.00 O ATOM 1304 CB VAL A 86 -14.534 -0.660 -4.308 1.00 0.00 C ATOM 1305 CG1 VAL A 86 -15.004 -1.620 -5.429 1.00 0.00 C ATOM 1306 CG2 VAL A 86 -13.570 -1.498 -3.433 1.00 0.00 C ATOM 0 H VAL A 86 -13.885 1.380 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.970 0.344 -5.362 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.389 -0.293 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.452 -2.508 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.742 -1.116 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.150 -1.912 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.078 -2.402 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.692 -1.772 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.260 -0.911 -2.568 1.00 0.00 H new ATOM 1316 N ASP A 87 -15.730 2.217 -5.630 1.00 0.00 N ATOM 1317 CA ASP A 87 -16.495 3.030 -6.632 1.00 0.00 C ATOM 1318 C ASP A 87 -15.624 3.931 -7.592 1.00 0.00 C ATOM 1319 O ASP A 87 -15.638 3.753 -8.814 1.00 0.00 O ATOM 1320 CB ASP A 87 -17.588 3.785 -5.822 1.00 0.00 C ATOM 1321 CG ASP A 87 -18.654 4.486 -6.663 1.00 0.00 C ATOM 1322 OD1 ASP A 87 -19.459 3.784 -7.310 1.00 0.00 O ATOM 1323 OD2 ASP A 87 -18.701 5.737 -6.671 1.00 0.00 O ATOM 0 H ASP A 87 -16.074 2.324 -4.676 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.953 2.374 -7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -18.081 3.075 -5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -17.101 4.527 -5.190 1.00 0.00 H new ATOM 1328 N ILE A 88 -14.765 4.814 -7.046 1.00 0.00 N ATOM 1329 CA ILE A 88 -13.705 5.536 -7.816 1.00 0.00 C ATOM 1330 C ILE A 88 -12.605 4.677 -8.538 1.00 0.00 C ATOM 1331 O ILE A 88 -12.194 5.092 -9.612 1.00 0.00 O ATOM 1332 CB ILE A 88 -13.054 6.712 -6.984 1.00 0.00 C ATOM 1333 CG1 ILE A 88 -12.766 6.375 -5.497 1.00 0.00 C ATOM 1334 CG2 ILE A 88 -13.922 7.988 -7.096 1.00 0.00 C ATOM 1335 CD1 ILE A 88 -11.620 7.133 -4.806 1.00 0.00 C ATOM 0 H ILE A 88 -14.778 5.055 -6.055 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.281 5.944 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.075 6.882 -7.431 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.679 6.554 -4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.553 5.308 -5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.464 8.791 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.995 8.288 -8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -14.920 7.785 -6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.533 6.797 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.685 6.937 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.829 8.203 -4.823 1.00 0.00 H new ATOM 1347 N ALA A 89 -12.141 3.519 -8.031 1.00 0.00 N ATOM 1348 CA ALA A 89 -11.356 2.559 -8.869 1.00 0.00 C ATOM 1349 C ALA A 89 -12.096 1.908 -10.107 1.00 0.00 C ATOM 1350 O ALA A 89 -11.492 1.765 -11.170 1.00 0.00 O ATOM 1351 CB ALA A 89 -10.735 1.528 -7.910 1.00 0.00 C ATOM 0 H ALA A 89 -12.286 3.219 -7.067 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.589 3.132 -9.391 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.151 0.806 -8.481 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.086 2.038 -7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.528 1.009 -7.371 1.00 0.00 H new ATOM 1357 N ALA A 90 -13.399 1.577 -10.000 1.00 0.00 N ATOM 1358 CA ALA A 90 -14.284 1.328 -11.173 1.00 0.00 C ATOM 1359 C ALA A 90 -14.550 2.554 -12.132 1.00 0.00 C ATOM 1360 O ALA A 90 -14.489 2.391 -13.355 1.00 0.00 O ATOM 1361 CB ALA A 90 -15.560 0.667 -10.612 1.00 0.00 C ATOM 0 H ALA A 90 -13.873 1.473 -9.103 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.769 0.667 -11.870 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.251 0.459 -11.429 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.297 -0.266 -10.113 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -16.034 1.340 -9.898 1.00 0.00 H new ATOM 1367 N SER A 91 -14.814 3.775 -11.623 1.00 0.00 N ATOM 1368 CA SER A 91 -14.904 5.010 -12.469 1.00 0.00 C ATOM 1369 C SER A 91 -13.579 5.630 -13.039 1.00 0.00 C ATOM 1370 O SER A 91 -13.661 6.465 -13.949 1.00 0.00 O ATOM 1371 CB SER A 91 -15.725 6.072 -11.700 1.00 0.00 C ATOM 1372 OG SER A 91 -15.875 7.267 -12.480 1.00 0.00 O ATOM 0 H SER A 91 -14.971 3.945 -10.630 1.00 0.00 H new ATOM 0 HA SER A 91 -15.393 4.672 -13.383 1.00 0.00 H new ATOM 0 HB2 SER A 91 -16.707 5.669 -11.452 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.230 6.308 -10.758 1.00 0.00 H new ATOM 0 HG SER A 91 -15.204 7.278 -13.194 1.00 0.00 H new ATOM 1378 N LEU A 92 -12.392 5.284 -12.525 1.00 0.00 N ATOM 1379 CA LEU A 92 -11.081 5.561 -13.190 1.00 0.00 C ATOM 1380 C LEU A 92 -10.563 4.449 -14.198 1.00 0.00 C ATOM 1381 O LEU A 92 -9.707 4.754 -15.022 1.00 0.00 O ATOM 1382 CB LEU A 92 -10.071 5.924 -12.060 1.00 0.00 C ATOM 1383 CG LEU A 92 -10.285 7.309 -11.358 1.00 0.00 C ATOM 1384 CD1 LEU A 92 -9.628 7.356 -9.958 1.00 0.00 C ATOM 1385 CD2 LEU A 92 -9.705 8.459 -12.199 1.00 0.00 C ATOM 0 H LEU A 92 -12.297 4.801 -11.632 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.207 6.398 -13.876 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.113 5.144 -11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.065 5.905 -12.480 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.363 7.430 -11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.801 8.333 -9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.064 6.583 -9.325 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.556 7.185 -10.053 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.870 9.405 -11.684 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.635 8.304 -12.339 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.198 8.484 -13.171 1.00 0.00 H new ATOM 1397 N ASP A 93 -11.095 3.197 -14.144 1.00 0.00 N ATOM 1398 CA ASP A 93 -10.841 2.101 -15.128 1.00 0.00 C ATOM 1399 C ASP A 93 -9.511 1.321 -14.873 1.00 0.00 C ATOM 1400 O ASP A 93 -9.572 0.170 -14.434 1.00 0.00 O ATOM 1401 CB ASP A 93 -11.173 2.512 -16.597 1.00 0.00 C ATOM 1402 CG ASP A 93 -11.671 1.412 -17.538 1.00 0.00 C ATOM 1403 OD1 ASP A 93 -12.326 0.451 -17.083 1.00 0.00 O ATOM 1404 OD2 ASP A 93 -11.449 1.532 -18.760 1.00 0.00 O ATOM 0 H ASP A 93 -11.729 2.912 -13.397 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.577 1.319 -14.940 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.929 3.297 -16.565 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.277 2.951 -17.035 1.00 0.00 H new ATOM 1409 N ALA A 94 -8.344 1.984 -15.079 1.00 0.00 N ATOM 1410 CA ALA A 94 -7.016 1.671 -14.446 1.00 0.00 C ATOM 1411 C ALA A 94 -6.569 0.184 -14.204 1.00 0.00 C ATOM 1412 O ALA A 94 -7.291 -0.527 -13.502 1.00 0.00 O ATOM 1413 CB ALA A 94 -6.991 2.450 -13.108 1.00 0.00 C ATOM 0 H ALA A 94 -8.289 2.782 -15.712 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.284 1.967 -15.197 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.047 2.264 -12.596 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.092 3.517 -13.306 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.816 2.118 -12.478 1.00 0.00 H new ATOM 1419 N GLU A 95 -5.399 -0.303 -14.677 1.00 0.00 N ATOM 1420 CA GLU A 95 -4.962 -1.735 -14.467 1.00 0.00 C ATOM 1421 C GLU A 95 -5.219 -2.329 -13.021 1.00 0.00 C ATOM 1422 O GLU A 95 -6.121 -3.167 -12.836 1.00 0.00 O ATOM 1423 CB GLU A 95 -3.481 -1.955 -14.898 1.00 0.00 C ATOM 1424 CG GLU A 95 -3.072 -1.766 -16.386 1.00 0.00 C ATOM 1425 CD GLU A 95 -1.848 -2.561 -16.851 1.00 0.00 C ATOM 1426 OE1 GLU A 95 -0.912 -2.807 -16.060 1.00 0.00 O ATOM 1427 OE2 GLU A 95 -1.824 -2.947 -18.038 1.00 0.00 O ATOM 0 H GLU A 95 -4.732 0.258 -15.206 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.621 -2.304 -15.123 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.866 -1.279 -14.304 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.207 -2.970 -14.612 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.920 -2.042 -17.013 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.880 -0.707 -16.558 1.00 0.00 H new ATOM 1434 N THR A 96 -4.539 -1.776 -12.003 1.00 0.00 N ATOM 1435 CA THR A 96 -4.810 -2.072 -10.567 1.00 0.00 C ATOM 1436 C THR A 96 -4.609 -0.825 -9.644 1.00 0.00 C ATOM 1437 O THR A 96 -3.580 -0.150 -9.707 1.00 0.00 O ATOM 1438 CB THR A 96 -4.046 -3.345 -10.083 1.00 0.00 C ATOM 1439 OG1 THR A 96 -4.292 -3.585 -8.698 1.00 0.00 O ATOM 1440 CG2 THR A 96 -2.525 -3.438 -10.271 1.00 0.00 C ATOM 0 H THR A 96 -3.781 -1.108 -12.142 1.00 0.00 H new ATOM 0 HA THR A 96 -5.870 -2.311 -10.483 1.00 0.00 H new ATOM 0 HB THR A 96 -4.462 -4.087 -10.764 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.167 -3.218 -8.453 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.167 -4.389 -9.877 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.285 -3.371 -11.332 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.042 -2.619 -9.738 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.578 -0.557 -8.745 1.00 0.00 N ATOM 1449 CA ALA A 97 -5.365 0.376 -7.605 1.00 0.00 C ATOM 1450 C ALA A 97 -4.643 -0.320 -6.401 1.00 0.00 C ATOM 1451 O ALA A 97 -4.744 -1.539 -6.201 1.00 0.00 O ATOM 1452 CB ALA A 97 -6.755 0.920 -7.219 1.00 0.00 C ATOM 0 H ALA A 97 -6.511 -0.967 -8.780 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.702 1.192 -7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.655 1.613 -6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.192 1.440 -8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.402 0.092 -6.929 1.00 0.00 H new ATOM 1458 N TYR A 98 -3.909 0.450 -5.583 1.00 0.00 N ATOM 1459 CA TYR A 98 -2.910 -0.146 -4.640 1.00 0.00 C ATOM 1460 C TYR A 98 -2.929 0.533 -3.234 1.00 0.00 C ATOM 1461 O TYR A 98 -2.682 1.740 -3.132 1.00 0.00 O ATOM 1462 CB TYR A 98 -1.463 -0.218 -5.237 1.00 0.00 C ATOM 1463 CG TYR A 98 -1.103 0.450 -6.574 1.00 0.00 C ATOM 1464 CD1 TYR A 98 -1.007 1.837 -6.651 1.00 0.00 C ATOM 1465 CD2 TYR A 98 -0.933 -0.314 -7.735 1.00 0.00 C ATOM 1466 CE1 TYR A 98 -0.755 2.466 -7.866 1.00 0.00 C ATOM 1467 CE2 TYR A 98 -0.677 0.315 -8.953 1.00 0.00 C ATOM 1468 CZ TYR A 98 -0.600 1.698 -9.021 1.00 0.00 C ATOM 1469 OH TYR A 98 -0.364 2.316 -10.215 1.00 0.00 O ATOM 0 H TYR A 98 -3.975 1.467 -5.544 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.230 -1.178 -4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.791 0.198 -4.486 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.215 -1.275 -5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.130 2.431 -5.757 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.000 -1.391 -7.687 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.680 3.542 -7.915 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.538 -0.277 -9.846 1.00 0.00 H new ATOM 0 HH TYR A 98 0.486 1.999 -10.585 1.00 0.00 H new ATOM 1479 N VAL A 99 -3.156 -0.232 -2.145 1.00 0.00 N ATOM 1480 CA VAL A 99 -3.071 0.308 -0.748 1.00 0.00 C ATOM 1481 C VAL A 99 -1.583 0.384 -0.258 1.00 0.00 C ATOM 1482 O VAL A 99 -0.980 -0.647 0.047 1.00 0.00 O ATOM 1483 CB VAL A 99 -4.037 -0.452 0.241 1.00 0.00 C ATOM 1484 CG1 VAL A 99 -3.870 -0.041 1.727 1.00 0.00 C ATOM 1485 CG2 VAL A 99 -5.536 -0.262 -0.122 1.00 0.00 C ATOM 0 H VAL A 99 -3.399 -1.221 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.433 1.336 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.743 -1.495 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.569 -0.608 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.850 -0.250 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.073 1.024 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.155 -0.806 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.788 0.798 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.718 -0.644 -1.126 1.00 0.00 H new ATOM 1495 N ILE A 100 -1.032 1.597 -0.083 1.00 0.00 N ATOM 1496 CA ILE A 100 0.230 1.826 0.696 1.00 0.00 C ATOM 1497 C ILE A 100 0.031 1.525 2.240 1.00 0.00 C ATOM 1498 O ILE A 100 0.677 0.649 2.813 1.00 0.00 O ATOM 1499 CB ILE A 100 0.828 3.275 0.484 1.00 0.00 C ATOM 1500 CG1 ILE A 100 0.915 3.866 -0.957 1.00 0.00 C ATOM 1501 CG2 ILE A 100 2.206 3.472 1.178 1.00 0.00 C ATOM 1502 CD1 ILE A 100 1.751 3.129 -2.019 1.00 0.00 C ATOM 0 H ILE A 100 -1.434 2.451 -0.469 1.00 0.00 H new ATOM 0 HA ILE A 100 0.957 1.117 0.300 1.00 0.00 H new ATOM 0 HB ILE A 100 0.038 3.851 0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.102 3.950 -1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.309 4.879 -0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.564 4.485 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.099 3.312 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.922 2.757 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.704 3.674 -2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.787 3.067 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.355 2.124 -2.161 1.00 0.00 H new ATOM 1514 N GLY A 101 -0.859 2.304 2.896 1.00 0.00 N ATOM 1515 CA GLY A 101 -0.903 2.458 4.376 1.00 0.00 C ATOM 1516 C GLY A 101 -0.327 3.798 4.929 1.00 0.00 C ATOM 1517 O GLY A 101 -0.049 4.750 4.199 1.00 0.00 O ATOM 0 H GLY A 101 -1.574 2.849 2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.939 2.366 4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.352 1.632 4.826 1.00 0.00 H new ATOM 1521 N GLY A 102 -0.100 3.936 6.238 1.00 0.00 N ATOM 1522 CA GLY A 102 -1.225 3.866 7.212 1.00 0.00 C ATOM 1523 C GLY A 102 -1.649 2.480 7.753 1.00 0.00 C ATOM 1524 O GLY A 102 -2.434 1.790 7.113 1.00 0.00 O ATOM 0 H GLY A 102 0.819 4.093 6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.962 4.489 8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.098 4.320 6.743 1.00 0.00 H new ATOM 1528 N ALA A 103 -1.235 2.124 8.974 1.00 0.00 N ATOM 1529 CA ALA A 103 -1.688 0.872 9.661 1.00 0.00 C ATOM 1530 C ALA A 103 -3.231 0.645 9.860 1.00 0.00 C ATOM 1531 O ALA A 103 -3.754 -0.379 9.419 1.00 0.00 O ATOM 1532 CB ALA A 103 -0.932 0.875 10.992 1.00 0.00 C ATOM 0 H ALA A 103 -0.581 2.680 9.525 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.463 0.029 9.007 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.203 -0.011 11.566 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.141 0.870 10.801 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.195 1.769 11.558 1.00 0.00 H new ATOM 1538 N ALA A 104 -3.975 1.608 10.450 1.00 0.00 N ATOM 1539 CA ALA A 104 -5.469 1.625 10.400 1.00 0.00 C ATOM 1540 C ALA A 104 -6.158 1.674 8.987 1.00 0.00 C ATOM 1541 O ALA A 104 -7.296 1.223 8.839 1.00 0.00 O ATOM 1542 CB ALA A 104 -5.926 2.774 11.323 1.00 0.00 C ATOM 0 H ALA A 104 -3.572 2.388 10.969 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.808 0.647 10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.015 2.830 11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.573 2.588 12.337 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.514 3.716 10.962 1.00 0.00 H new ATOM 1548 N ILE A 105 -5.454 2.176 7.962 1.00 0.00 N ATOM 1549 CA ILE A 105 -5.851 2.031 6.522 1.00 0.00 C ATOM 1550 C ILE A 105 -5.685 0.555 5.992 1.00 0.00 C ATOM 1551 O ILE A 105 -6.645 -0.013 5.471 1.00 0.00 O ATOM 1552 CB ILE A 105 -5.153 3.131 5.640 1.00 0.00 C ATOM 1553 CG1 ILE A 105 -5.238 4.601 6.166 1.00 0.00 C ATOM 1554 CG2 ILE A 105 -5.592 3.068 4.152 1.00 0.00 C ATOM 1555 CD1 ILE A 105 -6.558 5.056 6.825 1.00 0.00 C ATOM 0 H ILE A 105 -4.588 2.699 8.091 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.922 2.216 6.439 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.100 2.861 5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.436 4.744 6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.035 5.268 5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.081 3.848 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.335 2.093 3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.669 3.218 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.468 6.096 7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.374 4.963 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.765 4.431 7.693 1.00 0.00 H new ATOM 1567 N TYR A 106 -4.497 -0.063 6.162 1.00 0.00 N ATOM 1568 CA TYR A 106 -4.293 -1.536 5.980 1.00 0.00 C ATOM 1569 C TYR A 106 -5.276 -2.477 6.780 1.00 0.00 C ATOM 1570 O TYR A 106 -5.746 -3.466 6.218 1.00 0.00 O ATOM 1571 CB TYR A 106 -2.779 -1.831 6.262 1.00 0.00 C ATOM 1572 CG TYR A 106 -2.015 -2.587 5.159 1.00 0.00 C ATOM 1573 CD1 TYR A 106 -1.421 -1.874 4.100 1.00 0.00 C ATOM 1574 CD2 TYR A 106 -1.811 -3.964 5.244 1.00 0.00 C ATOM 1575 CE1 TYR A 106 -0.652 -2.544 3.152 1.00 0.00 C ATOM 1576 CE2 TYR A 106 -1.041 -4.634 4.293 1.00 0.00 C ATOM 1577 CZ TYR A 106 -0.457 -3.911 3.250 1.00 0.00 C ATOM 1578 OH TYR A 106 0.361 -4.563 2.368 1.00 0.00 O ATOM 0 H TYR A 106 -3.647 0.434 6.429 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.556 -1.789 4.953 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.273 -0.882 6.440 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.709 -2.408 7.184 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.562 -0.806 4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -2.255 -4.519 6.057 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.206 -1.995 2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.898 -5.702 4.362 1.00 0.00 H new ATOM 0 HH TYR A 106 0.382 -5.518 2.586 1.00 0.00 H new ATOM 1588 N ALA A 107 -5.641 -2.153 8.041 1.00 0.00 N ATOM 1589 CA ALA A 107 -6.681 -2.880 8.826 1.00 0.00 C ATOM 1590 C ALA A 107 -8.084 -3.065 8.165 1.00 0.00 C ATOM 1591 O ALA A 107 -8.519 -4.201 7.956 1.00 0.00 O ATOM 1592 CB ALA A 107 -6.775 -2.185 10.203 1.00 0.00 C ATOM 0 H ALA A 107 -5.223 -1.375 8.552 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.349 -3.916 8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.527 -2.686 10.813 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -5.808 -2.237 10.704 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.056 -1.141 10.065 1.00 0.00 H new ATOM 1598 N LEU A 108 -8.785 -1.968 7.817 1.00 0.00 N ATOM 1599 CA LEU A 108 -10.100 -2.061 7.123 1.00 0.00 C ATOM 1600 C LEU A 108 -10.072 -2.579 5.640 1.00 0.00 C ATOM 1601 O LEU A 108 -11.034 -3.239 5.231 1.00 0.00 O ATOM 1602 CB LEU A 108 -10.902 -0.756 7.420 1.00 0.00 C ATOM 1603 CG LEU A 108 -10.558 0.566 6.676 1.00 0.00 C ATOM 1604 CD1 LEU A 108 -11.210 0.604 5.282 1.00 0.00 C ATOM 1605 CD2 LEU A 108 -11.039 1.783 7.484 1.00 0.00 C ATOM 0 H LEU A 108 -8.473 -1.014 7.999 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.665 -2.893 7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.952 -0.972 7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.811 -0.558 8.488 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.474 0.604 6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.952 1.539 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.847 -0.235 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.293 0.534 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.789 2.698 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.119 1.726 7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.550 1.789 8.458 1.00 0.00 H new ATOM 1617 N PHE A 109 -9.001 -2.321 4.866 1.00 0.00 N ATOM 1618 CA PHE A 109 -8.835 -2.881 3.497 1.00 0.00 C ATOM 1619 C PHE A 109 -8.345 -4.366 3.363 1.00 0.00 C ATOM 1620 O PHE A 109 -8.819 -4.994 2.419 1.00 0.00 O ATOM 1621 CB PHE A 109 -8.007 -1.889 2.620 1.00 0.00 C ATOM 1622 CG PHE A 109 -8.839 -1.046 1.637 1.00 0.00 C ATOM 1623 CD1 PHE A 109 -9.392 -1.661 0.510 1.00 0.00 C ATOM 1624 CD2 PHE A 109 -9.046 0.323 1.849 1.00 0.00 C ATOM 1625 CE1 PHE A 109 -10.200 -0.936 -0.363 1.00 0.00 C ATOM 1626 CE2 PHE A 109 -9.832 1.053 0.957 1.00 0.00 C ATOM 1627 CZ PHE A 109 -10.417 0.418 -0.139 1.00 0.00 C ATOM 0 H PHE A 109 -8.228 -1.724 5.162 1.00 0.00 H new ATOM 0 HA PHE A 109 -9.853 -2.972 3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -7.457 -1.216 3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.268 -2.456 2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -9.192 -2.704 0.315 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.598 0.812 2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -10.656 -1.425 -1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -9.988 2.110 1.115 1.00 0.00 H new ATOM 0 HZ PHE A 109 -11.041 0.982 -0.816 1.00 0.00 H new ATOM 1637 N GLN A 110 -7.442 -4.950 4.194 1.00 0.00 N ATOM 1638 CA GLN A 110 -6.978 -6.381 4.046 1.00 0.00 C ATOM 1639 C GLN A 110 -8.069 -7.488 3.752 1.00 0.00 C ATOM 1640 O GLN A 110 -7.882 -8.185 2.747 1.00 0.00 O ATOM 1641 CB GLN A 110 -6.013 -6.782 5.199 1.00 0.00 C ATOM 1642 CG GLN A 110 -4.573 -6.205 5.094 1.00 0.00 C ATOM 1643 CD GLN A 110 -3.523 -7.106 4.437 1.00 0.00 C ATOM 1644 OE1 GLN A 110 -2.690 -7.706 5.105 1.00 0.00 O ATOM 1645 NE2 GLN A 110 -3.469 -7.183 3.132 1.00 0.00 N ATOM 0 H GLN A 110 -7.012 -4.461 4.979 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.434 -6.365 3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -6.448 -6.457 6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.949 -7.870 5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.620 -5.271 4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -4.230 -5.958 6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -4.156 -6.689 2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -2.740 -7.738 2.684 1.00 0.00 H new ATOM 1654 N PRO A 111 -9.250 -7.618 4.434 1.00 0.00 N ATOM 1655 CA PRO A 111 -10.401 -8.419 3.908 1.00 0.00 C ATOM 1656 C PRO A 111 -10.915 -8.216 2.436 1.00 0.00 C ATOM 1657 O PRO A 111 -11.604 -9.096 1.915 1.00 0.00 O ATOM 1658 CB PRO A 111 -11.494 -8.091 4.943 1.00 0.00 C ATOM 1659 CG PRO A 111 -10.745 -7.768 6.237 1.00 0.00 C ATOM 1660 CD PRO A 111 -9.479 -7.044 5.778 1.00 0.00 C ATOM 0 HA PRO A 111 -10.084 -9.457 3.805 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -12.101 -7.246 4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -12.170 -8.935 5.081 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.344 -7.140 6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -10.504 -8.674 6.793 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -9.621 -5.964 5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.639 -7.231 6.447 1.00 0.00 H new ATOM 1668 N HIS A 112 -10.606 -7.085 1.786 1.00 0.00 N ATOM 1669 CA HIS A 112 -10.862 -6.842 0.334 1.00 0.00 C ATOM 1670 C HIS A 112 -9.589 -6.460 -0.536 1.00 0.00 C ATOM 1671 O HIS A 112 -9.774 -5.913 -1.625 1.00 0.00 O ATOM 1672 CB HIS A 112 -11.969 -5.731 0.296 1.00 0.00 C ATOM 1673 CG HIS A 112 -12.870 -5.710 -0.945 1.00 0.00 C ATOM 1674 ND1 HIS A 112 -14.161 -6.211 -0.941 1.00 0.00 N ATOM 1675 CD2 HIS A 112 -12.591 -5.136 -2.203 1.00 0.00 C ATOM 1676 CE1 HIS A 112 -14.565 -5.894 -2.215 1.00 0.00 C ATOM 1677 NE2 HIS A 112 -13.688 -5.250 -3.043 1.00 0.00 N ATOM 0 H HIS A 112 -10.163 -6.292 2.250 1.00 0.00 H new ATOM 0 HA HIS A 112 -11.178 -7.772 -0.139 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -12.602 -5.848 1.176 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.482 -4.760 0.381 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -11.654 -4.673 -2.474 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -15.557 -6.149 -2.556 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -13.807 -4.940 -4.008 1.00 0.00 H new ATOM 1686 N LEU A 113 -8.326 -6.736 -0.149 1.00 0.00 N ATOM 1687 CA LEU A 113 -7.219 -6.868 -1.146 1.00 0.00 C ATOM 1688 C LEU A 113 -7.074 -8.369 -1.504 1.00 0.00 C ATOM 1689 O LEU A 113 -6.695 -9.172 -0.647 1.00 0.00 O ATOM 1690 CB LEU A 113 -5.829 -6.355 -0.668 1.00 0.00 C ATOM 1691 CG LEU A 113 -5.491 -4.848 -0.517 1.00 0.00 C ATOM 1692 CD1 LEU A 113 -6.242 -3.929 -1.473 1.00 0.00 C ATOM 1693 CD2 LEU A 113 -5.600 -4.371 0.927 1.00 0.00 C ATOM 0 H LEU A 113 -8.041 -6.871 0.821 1.00 0.00 H new ATOM 0 HA LEU A 113 -7.500 -6.241 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.649 -6.812 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.093 -6.770 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.445 -4.774 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.943 -2.896 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.007 -4.203 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -7.315 -4.029 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.354 -3.310 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.618 -4.525 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.906 -4.936 1.550 1.00 0.00 H new ATOM 1705 N ASP A 114 -7.321 -8.738 -2.763 1.00 0.00 N ATOM 1706 CA ASP A 114 -7.214 -10.161 -3.201 1.00 0.00 C ATOM 1707 C ASP A 114 -5.814 -10.564 -3.813 1.00 0.00 C ATOM 1708 O ASP A 114 -5.552 -11.742 -4.035 1.00 0.00 O ATOM 1709 CB ASP A 114 -8.492 -10.500 -4.024 1.00 0.00 C ATOM 1710 CG ASP A 114 -9.813 -10.247 -3.269 1.00 0.00 C ATOM 1711 OD1 ASP A 114 -10.314 -9.103 -3.313 1.00 0.00 O ATOM 1712 OD2 ASP A 114 -10.296 -11.144 -2.542 1.00 0.00 O ATOM 0 H ASP A 114 -7.595 -8.090 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.205 -10.827 -2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.490 -9.907 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.452 -11.548 -4.323 1.00 0.00 H new ATOM 1717 N ARG A 115 -4.875 -9.613 -3.988 1.00 0.00 N ATOM 1718 CA ARG A 115 -3.419 -9.890 -4.109 1.00 0.00 C ATOM 1719 C ARG A 115 -2.580 -8.998 -3.101 1.00 0.00 C ATOM 1720 O ARG A 115 -3.024 -7.963 -2.585 1.00 0.00 O ATOM 1721 CB ARG A 115 -2.983 -9.702 -5.592 1.00 0.00 C ATOM 1722 CG ARG A 115 -3.474 -10.765 -6.615 1.00 0.00 C ATOM 1723 CD ARG A 115 -2.740 -10.700 -7.976 1.00 0.00 C ATOM 1724 NE ARG A 115 -1.397 -11.366 -7.904 1.00 0.00 N ATOM 1725 CZ ARG A 115 -0.278 -10.964 -8.493 1.00 0.00 C ATOM 1726 NH1 ARG A 115 -0.197 -9.958 -9.311 1.00 0.00 N ATOM 1727 NH2 ARG A 115 0.805 -11.619 -8.260 1.00 0.00 N ATOM 0 H ARG A 115 -5.102 -8.621 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.217 -10.924 -3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.332 -8.725 -5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -1.894 -9.680 -5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -3.340 -11.758 -6.187 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.543 -10.631 -6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -3.347 -11.182 -8.742 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -2.617 -9.659 -8.276 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.338 -12.216 -7.344 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.031 -9.417 -9.539 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.701 -9.709 -9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 115 0.789 -12.425 -7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 115 1.679 -11.332 -8.700 1.00 0.00 H new ATOM 1741 N MET A 116 -1.334 -9.406 -2.800 1.00 0.00 N ATOM 1742 CA MET A 116 -0.398 -8.641 -1.908 1.00 0.00 C ATOM 1743 C MET A 116 0.989 -8.451 -2.598 1.00 0.00 C ATOM 1744 O MET A 116 1.514 -9.388 -3.207 1.00 0.00 O ATOM 1745 CB MET A 116 -0.245 -9.386 -0.555 1.00 0.00 C ATOM 1746 CG MET A 116 0.103 -8.539 0.677 1.00 0.00 C ATOM 1747 SD MET A 116 0.524 -9.646 2.038 1.00 0.00 S ATOM 1748 CE MET A 116 0.446 -8.507 3.433 1.00 0.00 C ATOM 0 H MET A 116 -0.933 -10.272 -3.160 1.00 0.00 H new ATOM 0 HA MET A 116 -0.814 -7.651 -1.721 1.00 0.00 H new ATOM 0 HB2 MET A 116 -1.178 -9.911 -0.351 1.00 0.00 H new ATOM 0 HB3 MET A 116 0.529 -10.145 -0.673 1.00 0.00 H new ATOM 0 HG2 MET A 116 0.940 -7.876 0.456 1.00 0.00 H new ATOM 0 HG3 MET A 116 -0.741 -7.906 0.952 1.00 0.00 H new ATOM 0 HE1 MET A 116 0.683 -9.042 4.353 1.00 0.00 H new ATOM 0 HE2 MET A 116 1.166 -7.702 3.286 1.00 0.00 H new ATOM 0 HE3 MET A 116 -0.558 -8.088 3.505 1.00 0.00 H new ATOM 1758 N VAL A 117 1.597 -7.258 -2.494 1.00 0.00 N ATOM 1759 CA VAL A 117 2.997 -7.000 -2.968 1.00 0.00 C ATOM 1760 C VAL A 117 3.820 -6.176 -1.917 1.00 0.00 C ATOM 1761 O VAL A 117 4.186 -5.020 -2.157 1.00 0.00 O ATOM 1762 CB VAL A 117 3.039 -6.393 -4.422 1.00 0.00 C ATOM 1763 CG1 VAL A 117 2.475 -7.365 -5.465 1.00 0.00 C ATOM 1764 CG2 VAL A 117 2.374 -5.012 -4.632 1.00 0.00 C ATOM 0 H VAL A 117 1.148 -6.439 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 117 3.496 -7.965 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 117 4.108 -6.229 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.523 -6.907 -6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 117 3.063 -8.283 -5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.438 -7.597 -5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.476 -4.714 -5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.317 -5.074 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.860 -4.273 -3.995 1.00 0.00 H new ATOM 1774 N LEU A 118 4.137 -6.764 -0.745 1.00 0.00 N ATOM 1775 CA LEU A 118 5.033 -6.119 0.264 1.00 0.00 C ATOM 1776 C LEU A 118 6.553 -6.379 -0.008 1.00 0.00 C ATOM 1777 O LEU A 118 6.977 -7.465 -0.432 1.00 0.00 O ATOM 1778 CB LEU A 118 4.559 -6.355 1.734 1.00 0.00 C ATOM 1779 CG LEU A 118 4.654 -7.713 2.477 1.00 0.00 C ATOM 1780 CD1 LEU A 118 3.920 -8.834 1.743 1.00 0.00 C ATOM 1781 CD2 LEU A 118 6.079 -8.169 2.829 1.00 0.00 C ATOM 0 H LEU A 118 3.792 -7.682 -0.465 1.00 0.00 H new ATOM 0 HA LEU A 118 4.935 -5.042 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.103 -5.636 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.508 -6.067 1.763 1.00 0.00 H new ATOM 0 HG LEU A 118 4.154 -7.512 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.018 -9.762 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.865 -8.577 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.353 -8.964 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.037 -9.128 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.663 -8.275 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.549 -7.428 3.476 1.00 0.00 H new ATOM 1793 N SER A 119 7.366 -5.334 0.212 1.00 0.00 N ATOM 1794 CA SER A 119 8.834 -5.383 0.027 1.00 0.00 C ATOM 1795 C SER A 119 9.576 -5.367 1.404 1.00 0.00 C ATOM 1796 O SER A 119 9.647 -4.356 2.116 1.00 0.00 O ATOM 1797 CB SER A 119 9.230 -4.260 -0.957 1.00 0.00 C ATOM 1798 OG SER A 119 8.876 -2.950 -0.508 1.00 0.00 O ATOM 0 H SER A 119 7.027 -4.424 0.525 1.00 0.00 H new ATOM 0 HA SER A 119 9.153 -6.323 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.306 -4.298 -1.124 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.752 -4.446 -1.918 1.00 0.00 H new ATOM 0 HG SER A 119 9.672 -2.498 -0.158 1.00 0.00 H new ATOM 1804 N ARG A 120 10.103 -6.534 1.799 1.00 0.00 N ATOM 1805 CA ARG A 120 10.785 -6.735 3.110 1.00 0.00 C ATOM 1806 C ARG A 120 12.276 -6.289 3.029 1.00 0.00 C ATOM 1807 O ARG A 120 13.050 -6.877 2.270 1.00 0.00 O ATOM 1808 CB ARG A 120 10.598 -8.243 3.454 1.00 0.00 C ATOM 1809 CG ARG A 120 11.129 -8.802 4.808 1.00 0.00 C ATOM 1810 CD ARG A 120 12.659 -8.736 5.010 1.00 0.00 C ATOM 1811 NE ARG A 120 13.151 -9.762 5.965 1.00 0.00 N ATOM 1812 CZ ARG A 120 13.704 -10.921 5.630 1.00 0.00 C ATOM 1813 NH1 ARG A 120 13.736 -11.400 4.412 1.00 0.00 N ATOM 1814 NH2 ARG A 120 14.245 -11.609 6.579 1.00 0.00 N ATOM 0 H ARG A 120 10.074 -7.376 1.224 1.00 0.00 H new ATOM 0 HA ARG A 120 10.360 -6.123 3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 120 9.530 -8.456 3.411 1.00 0.00 H new ATOM 0 HB3 ARG A 120 11.070 -8.819 2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 120 10.651 -8.252 5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 120 10.814 -9.842 4.898 1.00 0.00 H new ATOM 0 HD2 ARG A 120 13.155 -8.871 4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 120 12.932 -7.745 5.373 1.00 0.00 H new ATOM 0 HE ARG A 120 13.056 -9.559 6.960 1.00 0.00 H new ATOM 0 HH11 ARG A 120 13.317 -10.873 3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.180 -12.300 4.229 1.00 0.00 H new ATOM 0 HH21 ARG A 120 14.234 -11.255 7.536 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.683 -12.507 6.372 1.00 0.00 H new ATOM 1828 N VAL A 121 12.703 -5.308 3.829 1.00 0.00 N ATOM 1829 CA VAL A 121 14.082 -4.734 3.747 1.00 0.00 C ATOM 1830 C VAL A 121 14.894 -5.222 5.008 1.00 0.00 C ATOM 1831 O VAL A 121 14.669 -4.679 6.096 1.00 0.00 O ATOM 1832 CB VAL A 121 14.012 -3.183 3.546 1.00 0.00 C ATOM 1833 CG1 VAL A 121 15.411 -2.559 3.331 1.00 0.00 C ATOM 1834 CG2 VAL A 121 13.144 -2.729 2.335 1.00 0.00 C ATOM 0 H VAL A 121 12.122 -4.881 4.551 1.00 0.00 H new ATOM 0 HA VAL A 121 14.626 -5.092 2.873 1.00 0.00 H new ATOM 0 HB VAL A 121 13.552 -2.836 4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 121 15.312 -1.482 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 121 16.037 -2.760 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 121 15.871 -2.995 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 121 13.151 -1.641 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 121 13.553 -3.150 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.120 -3.078 2.470 1.00 0.00 H new ATOM 1844 N PRO A 122 15.803 -6.246 4.956 1.00 0.00 N ATOM 1845 CA PRO A 122 16.487 -6.772 6.174 1.00 0.00 C ATOM 1846 C PRO A 122 17.753 -5.953 6.619 1.00 0.00 C ATOM 1847 O PRO A 122 18.720 -5.806 5.861 1.00 0.00 O ATOM 1848 CB PRO A 122 16.817 -8.204 5.699 1.00 0.00 C ATOM 1849 CG PRO A 122 17.130 -8.058 4.204 1.00 0.00 C ATOM 1850 CD PRO A 122 16.128 -7.004 3.728 1.00 0.00 C ATOM 0 HA PRO A 122 15.883 -6.714 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 122 17.667 -8.615 6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 122 15.977 -8.879 5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 122 18.158 -7.737 4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 122 17.002 -9.002 3.673 1.00 0.00 H new ATOM 0 HD2 PRO A 122 16.559 -6.359 2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 122 15.240 -7.463 3.295 1.00 0.00 H new ATOM 1935 N THR A 129 3.970 2.355 14.064 1.00 0.00 N ATOM 1936 CA THR A 129 2.699 1.593 13.918 1.00 0.00 C ATOM 1937 C THR A 129 2.902 0.035 13.798 1.00 0.00 C ATOM 1938 O THR A 129 3.959 -0.446 13.384 1.00 0.00 O ATOM 1939 CB THR A 129 1.892 2.178 12.715 1.00 0.00 C ATOM 1940 OG1 THR A 129 2.505 1.853 11.473 1.00 0.00 O ATOM 1941 CG2 THR A 129 1.634 3.699 12.704 1.00 0.00 C ATOM 0 HA THR A 129 2.127 1.719 14.837 1.00 0.00 H new ATOM 0 HB THR A 129 0.921 1.701 12.852 1.00 0.00 H new ATOM 0 HG1 THR A 129 1.977 2.231 10.739 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.064 3.965 11.814 1.00 0.00 H new ATOM 0 HG22 THR A 129 1.069 3.979 13.593 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.586 4.230 12.697 1.00 0.00 H new ATOM 1949 N TYR A 130 1.887 -0.764 14.161 1.00 0.00 N ATOM 1950 CA TYR A 130 1.975 -2.261 14.135 1.00 0.00 C ATOM 1951 C TYR A 130 0.995 -2.903 13.097 1.00 0.00 C ATOM 1952 O TYR A 130 -0.005 -2.294 12.700 1.00 0.00 O ATOM 1953 CB TYR A 130 1.731 -2.811 15.574 1.00 0.00 C ATOM 1954 CG TYR A 130 2.704 -2.348 16.673 1.00 0.00 C ATOM 1955 CD1 TYR A 130 4.084 -2.569 16.570 1.00 0.00 C ATOM 1956 CD2 TYR A 130 2.201 -1.653 17.777 1.00 0.00 C ATOM 1957 CE1 TYR A 130 4.946 -2.088 17.555 1.00 0.00 C ATOM 1958 CE2 TYR A 130 3.064 -1.175 18.759 1.00 0.00 C ATOM 1959 CZ TYR A 130 4.432 -1.392 18.645 1.00 0.00 C ATOM 1960 OH TYR A 130 5.277 -0.851 19.573 1.00 0.00 O ATOM 0 H TYR A 130 0.985 -0.411 14.480 1.00 0.00 H new ATOM 0 HA TYR A 130 2.976 -2.541 13.806 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.721 -2.533 15.876 1.00 0.00 H new ATOM 0 HB3 TYR A 130 1.762 -3.900 15.530 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.481 -3.113 15.726 1.00 0.00 H new ATOM 0 HD2 TYR A 130 1.138 -1.486 17.868 1.00 0.00 H new ATOM 0 HE1 TYR A 130 6.010 -2.255 17.472 1.00 0.00 H new ATOM 0 HE2 TYR A 130 2.671 -0.636 19.608 1.00 0.00 H new ATOM 0 HH TYR A 130 4.754 -0.398 20.267 1.00 0.00 H new ATOM 1970 N TYR A 131 1.242 -4.167 12.698 1.00 0.00 N ATOM 1971 CA TYR A 131 0.234 -4.986 11.954 1.00 0.00 C ATOM 1972 C TYR A 131 -1.133 -5.195 12.721 1.00 0.00 C ATOM 1973 O TYR A 131 -1.081 -5.360 13.947 1.00 0.00 O ATOM 1974 CB TYR A 131 0.857 -6.367 11.576 1.00 0.00 C ATOM 1975 CG TYR A 131 1.428 -6.484 10.156 1.00 0.00 C ATOM 1976 CD1 TYR A 131 0.571 -6.487 9.048 1.00 0.00 C ATOM 1977 CD2 TYR A 131 2.794 -6.710 9.960 1.00 0.00 C ATOM 1978 CE1 TYR A 131 1.064 -6.721 7.769 1.00 0.00 C ATOM 1979 CE2 TYR A 131 3.284 -6.961 8.679 1.00 0.00 C ATOM 1980 CZ TYR A 131 2.421 -6.971 7.589 1.00 0.00 C ATOM 1981 OH TYR A 131 2.887 -7.265 6.338 1.00 0.00 O ATOM 0 H TYR A 131 2.123 -4.651 12.872 1.00 0.00 H new ATOM 0 HA TYR A 131 -0.018 -4.418 11.058 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.654 -6.590 12.286 1.00 0.00 H new ATOM 0 HB3 TYR A 131 0.093 -7.134 11.703 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -0.484 -6.306 9.189 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.470 -6.690 10.802 1.00 0.00 H new ATOM 0 HE1 TYR A 131 0.397 -6.709 6.920 1.00 0.00 H new ATOM 0 HE2 TYR A 131 4.338 -7.148 8.533 1.00 0.00 H new ATOM 0 HH TYR A 131 2.329 -6.819 5.668 1.00 0.00 H new ATOM 1991 N PRO A 132 -2.345 -5.221 12.087 1.00 0.00 N ATOM 1992 CA PRO A 132 -3.620 -5.483 12.803 1.00 0.00 C ATOM 1993 C PRO A 132 -3.889 -7.020 12.984 1.00 0.00 C ATOM 1994 O PRO A 132 -3.300 -7.648 13.867 1.00 0.00 O ATOM 1995 CB PRO A 132 -4.586 -4.624 11.949 1.00 0.00 C ATOM 1996 CG PRO A 132 -3.958 -4.481 10.550 1.00 0.00 C ATOM 1997 CD PRO A 132 -2.558 -5.083 10.634 1.00 0.00 C ATOM 0 HA PRO A 132 -3.693 -5.200 13.853 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -5.566 -5.098 11.884 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -4.735 -3.645 12.405 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -4.558 -4.999 9.802 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -3.912 -3.434 10.252 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.501 -6.045 10.124 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.811 -4.434 10.176 1.00 0.00 H new ATOM 2005 N GLU A 133 -4.734 -7.615 12.131 1.00 0.00 N ATOM 2006 CA GLU A 133 -5.138 -9.045 12.229 1.00 0.00 C ATOM 2007 C GLU A 133 -5.045 -9.726 10.812 1.00 0.00 C ATOM 2008 O GLU A 133 -6.042 -10.067 10.180 1.00 0.00 O ATOM 2009 CB GLU A 133 -6.488 -9.071 13.029 1.00 0.00 C ATOM 2010 CG GLU A 133 -7.765 -8.518 12.323 1.00 0.00 C ATOM 2011 CD GLU A 133 -8.806 -7.778 13.164 1.00 0.00 C ATOM 2012 OE1 GLU A 133 -8.440 -6.840 13.902 1.00 0.00 O ATOM 2013 OE2 GLU A 133 -10.010 -8.091 13.042 1.00 0.00 O ATOM 0 H GLU A 133 -5.164 -7.125 11.347 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.471 -9.689 12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -6.686 -10.103 13.318 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -6.343 -8.505 13.949 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -7.439 -7.843 11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -8.266 -9.357 11.840 1.00 0.00 H new ATOM 2020 N TRP A 134 -3.792 -9.884 10.305 1.00 0.00 N ATOM 2021 CA TRP A 134 -3.512 -10.393 8.932 1.00 0.00 C ATOM 2022 C TRP A 134 -3.452 -11.964 8.810 1.00 0.00 C ATOM 2023 O TRP A 134 -3.179 -12.668 9.785 1.00 0.00 O ATOM 2024 CB TRP A 134 -2.271 -9.613 8.367 1.00 0.00 C ATOM 2025 CG TRP A 134 -0.842 -10.183 8.527 1.00 0.00 C ATOM 2026 CD1 TRP A 134 -0.065 -10.673 7.450 1.00 0.00 C ATOM 2027 CD2 TRP A 134 -0.025 -10.312 9.646 1.00 0.00 C ATOM 2028 NE1 TRP A 134 1.216 -11.087 7.862 1.00 0.00 N ATOM 2029 CE2 TRP A 134 1.206 -10.875 9.229 1.00 0.00 C ATOM 2030 CE3 TRP A 134 -0.256 -10.034 11.020 1.00 0.00 C ATOM 2031 CZ2 TRP A 134 2.212 -11.171 10.176 1.00 0.00 C ATOM 2032 CZ3 TRP A 134 0.754 -10.333 11.939 1.00 0.00 C ATOM 2033 CH2 TRP A 134 1.971 -10.893 11.524 1.00 0.00 C ATOM 0 H TRP A 134 -2.949 -9.663 10.835 1.00 0.00 H new ATOM 0 HA TRP A 134 -4.365 -10.182 8.287 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -2.441 -9.468 7.300 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -2.276 -8.625 8.827 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -0.415 -10.723 6.429 1.00 0.00 H new ATOM 0 HE1 TRP A 134 1.974 -11.456 7.288 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -1.190 -9.602 11.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 3.151 -11.604 9.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 0.594 -10.129 12.987 1.00 0.00 H new ATOM 0 HH2 TRP A 134 2.733 -11.113 12.257 1.00 0.00 H new ATOM 2044 N ASP A 135 -3.735 -12.496 7.612 1.00 0.00 N ATOM 2045 CA ASP A 135 -4.229 -13.891 7.451 1.00 0.00 C ATOM 2046 C ASP A 135 -3.076 -14.968 7.428 1.00 0.00 C ATOM 2047 O ASP A 135 -2.733 -15.534 6.388 1.00 0.00 O ATOM 2048 CB ASP A 135 -5.179 -13.921 6.203 1.00 0.00 C ATOM 2049 CG ASP A 135 -6.224 -12.801 6.006 1.00 0.00 C ATOM 2050 OD1 ASP A 135 -5.822 -11.650 5.724 1.00 0.00 O ATOM 2051 OD2 ASP A 135 -7.437 -13.063 6.123 1.00 0.00 O ATOM 0 H ASP A 135 -3.633 -11.989 6.733 1.00 0.00 H new ATOM 0 HA ASP A 135 -4.801 -14.186 8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -4.548 -13.937 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -5.718 -14.868 6.228 1.00 0.00 H new ATOM 2056 N ALA A 136 -2.455 -15.263 8.592 1.00 0.00 N ATOM 2057 CA ALA A 136 -1.229 -16.120 8.670 1.00 0.00 C ATOM 2058 C ALA A 136 -1.242 -17.608 8.158 1.00 0.00 C ATOM 2059 O ALA A 136 -0.163 -18.155 7.937 1.00 0.00 O ATOM 2060 CB ALA A 136 -0.734 -16.037 10.131 1.00 0.00 C ATOM 0 H ALA A 136 -2.777 -14.923 9.498 1.00 0.00 H new ATOM 0 HA ALA A 136 -0.560 -15.698 7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.162 -16.646 10.247 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.503 -15.001 10.379 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.512 -16.405 10.800 1.00 0.00 H new ATOM 2066 N ALA A 137 -2.399 -18.264 7.980 1.00 0.00 N ATOM 2067 CA ALA A 137 -2.502 -19.461 7.093 1.00 0.00 C ATOM 2068 C ALA A 137 -3.277 -19.285 5.731 1.00 0.00 C ATOM 2069 O ALA A 137 -3.112 -20.119 4.848 1.00 0.00 O ATOM 2070 CB ALA A 137 -3.085 -20.618 7.942 1.00 0.00 C ATOM 0 H ALA A 137 -3.276 -17.999 8.429 1.00 0.00 H new ATOM 0 HA ALA A 137 -1.492 -19.671 6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -3.175 -21.512 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -2.422 -20.822 8.783 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.069 -20.335 8.316 1.00 0.00 H new ATOM 2076 N GLU A 138 -4.109 -18.231 5.556 1.00 0.00 N ATOM 2077 CA GLU A 138 -4.910 -18.009 4.303 1.00 0.00 C ATOM 2078 C GLU A 138 -4.432 -16.857 3.331 1.00 0.00 C ATOM 2079 O GLU A 138 -5.178 -16.417 2.450 1.00 0.00 O ATOM 2080 CB GLU A 138 -6.401 -17.907 4.747 1.00 0.00 C ATOM 2081 CG GLU A 138 -7.049 -19.279 5.119 1.00 0.00 C ATOM 2082 CD GLU A 138 -8.553 -19.418 4.965 1.00 0.00 C ATOM 2083 OE1 GLU A 138 -9.087 -19.027 3.909 1.00 0.00 O ATOM 2084 OE2 GLU A 138 -9.200 -19.995 5.863 1.00 0.00 O ATOM 0 H GLU A 138 -4.251 -17.511 6.264 1.00 0.00 H new ATOM 0 HA GLU A 138 -4.750 -18.860 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -6.469 -17.240 5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -6.978 -17.450 3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -6.577 -20.048 4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -6.797 -19.498 6.157 1.00 0.00 H new ATOM 2091 N TRP A 139 -3.152 -16.472 3.390 1.00 0.00 N ATOM 2092 CA TRP A 139 -2.437 -15.789 2.284 1.00 0.00 C ATOM 2093 C TRP A 139 -1.526 -16.840 1.544 1.00 0.00 C ATOM 2094 O TRP A 139 -0.486 -17.234 2.069 1.00 0.00 O ATOM 2095 CB TRP A 139 -1.665 -14.577 2.899 1.00 0.00 C ATOM 2096 CG TRP A 139 -2.347 -13.202 2.821 1.00 0.00 C ATOM 2097 CD1 TRP A 139 -2.759 -12.446 3.933 1.00 0.00 C ATOM 2098 CD2 TRP A 139 -2.683 -12.430 1.721 1.00 0.00 C ATOM 2099 NE1 TRP A 139 -3.406 -11.248 3.567 1.00 0.00 N ATOM 2100 CE2 TRP A 139 -3.339 -11.258 2.189 1.00 0.00 C ATOM 2101 CE3 TRP A 139 -2.545 -12.667 0.323 1.00 0.00 C ATOM 2102 CZ2 TRP A 139 -3.864 -10.324 1.267 1.00 0.00 C ATOM 2103 CZ3 TRP A 139 -3.087 -11.730 -0.564 1.00 0.00 C ATOM 2104 CH2 TRP A 139 -3.724 -10.572 -0.099 1.00 0.00 C ATOM 0 H TRP A 139 -2.569 -16.624 4.213 1.00 0.00 H new ATOM 0 HA TRP A 139 -3.108 -15.389 1.524 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.468 -14.798 3.948 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -0.698 -14.504 2.402 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -2.597 -12.750 4.957 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -3.823 -10.543 4.175 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -2.036 -13.546 -0.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.365 -9.433 1.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -3.013 -11.903 -1.627 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -4.114 -9.859 -0.810 1.00 0.00 H new ATOM 2115 N GLU A 140 -1.919 -17.287 0.336 1.00 0.00 N ATOM 2116 CA GLU A 140 -1.072 -18.185 -0.511 1.00 0.00 C ATOM 2117 C GLU A 140 -0.005 -17.387 -1.335 1.00 0.00 C ATOM 2118 O GLU A 140 -0.249 -16.275 -1.822 1.00 0.00 O ATOM 2119 CB GLU A 140 -1.993 -19.013 -1.456 1.00 0.00 C ATOM 2120 CG GLU A 140 -2.717 -20.227 -0.796 1.00 0.00 C ATOM 2121 CD GLU A 140 -1.931 -21.531 -0.692 1.00 0.00 C ATOM 2122 OE1 GLU A 140 -0.851 -21.543 -0.068 1.00 0.00 O ATOM 2123 OE2 GLU A 140 -2.413 -22.561 -1.213 1.00 0.00 O ATOM 0 H GLU A 140 -2.816 -17.047 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 140 -0.520 -18.856 0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.747 -18.347 -1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.393 -19.379 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.021 -19.934 0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.628 -20.425 -1.360 1.00 0.00 H new ATOM 2130 N LEU A 141 1.195 -17.965 -1.494 1.00 0.00 N ATOM 2131 CA LEU A 141 2.319 -17.321 -2.227 1.00 0.00 C ATOM 2132 C LEU A 141 2.290 -17.670 -3.756 1.00 0.00 C ATOM 2133 O LEU A 141 2.246 -18.838 -4.155 1.00 0.00 O ATOM 2134 CB LEU A 141 3.683 -17.708 -1.582 1.00 0.00 C ATOM 2135 CG LEU A 141 3.870 -17.349 -0.078 1.00 0.00 C ATOM 2136 CD1 LEU A 141 3.816 -18.598 0.819 1.00 0.00 C ATOM 2137 CD2 LEU A 141 5.147 -16.534 0.183 1.00 0.00 C ATOM 0 H LEU A 141 1.423 -18.888 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 141 2.197 -16.241 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.820 -18.783 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 141 4.478 -17.224 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 141 3.027 -16.710 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 141 3.951 -18.304 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 141 2.850 -19.088 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 141 4.610 -19.287 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.226 -16.312 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 141 6.017 -17.110 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 141 5.105 -15.601 -0.380 1.00 0.00 H new ATOM 2149 N ASP A 142 2.328 -16.634 -4.593 1.00 0.00 N ATOM 2150 CA ASP A 142 2.297 -16.748 -6.086 1.00 0.00 C ATOM 2151 C ASP A 142 3.744 -16.714 -6.704 1.00 0.00 C ATOM 2152 O ASP A 142 4.185 -17.678 -7.338 1.00 0.00 O ATOM 2153 CB ASP A 142 1.303 -15.628 -6.523 1.00 0.00 C ATOM 2154 CG ASP A 142 0.987 -15.398 -7.999 1.00 0.00 C ATOM 2155 OD1 ASP A 142 1.396 -16.186 -8.876 1.00 0.00 O ATOM 2156 OD2 ASP A 142 0.306 -14.382 -8.274 1.00 0.00 O ATOM 0 H ASP A 142 2.382 -15.669 -4.267 1.00 0.00 H new ATOM 0 HA ASP A 142 1.941 -17.706 -6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 142 0.357 -15.825 -6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 142 1.685 -14.687 -6.127 1.00 0.00 H new ATOM 2161 N ALA A 143 4.507 -15.628 -6.475 1.00 0.00 N ATOM 2162 CA ALA A 143 5.930 -15.509 -6.889 1.00 0.00 C ATOM 2163 C ALA A 143 6.808 -14.776 -5.818 1.00 0.00 C ATOM 2164 O ALA A 143 6.376 -13.795 -5.216 1.00 0.00 O ATOM 2165 CB ALA A 143 5.921 -14.747 -8.231 1.00 0.00 C ATOM 0 H ALA A 143 4.156 -14.799 -5.994 1.00 0.00 H new ATOM 0 HA ALA A 143 6.381 -16.496 -6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 143 6.944 -14.627 -8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 143 5.344 -15.309 -8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 143 5.469 -13.765 -8.089 1.00 0.00 H new ATOM 2171 N GLU A 144 8.071 -15.192 -5.615 1.00 0.00 N ATOM 2172 CA GLU A 144 9.040 -14.448 -4.745 1.00 0.00 C ATOM 2173 C GLU A 144 10.356 -14.076 -5.515 1.00 0.00 C ATOM 2174 O GLU A 144 10.904 -14.868 -6.292 1.00 0.00 O ATOM 2175 CB GLU A 144 9.274 -15.243 -3.431 1.00 0.00 C ATOM 2176 CG GLU A 144 9.997 -14.451 -2.305 1.00 0.00 C ATOM 2177 CD GLU A 144 9.979 -15.072 -0.918 1.00 0.00 C ATOM 2178 OE1 GLU A 144 10.550 -16.166 -0.734 1.00 0.00 O ATOM 2179 OE2 GLU A 144 9.428 -14.440 0.009 1.00 0.00 O ATOM 0 H GLU A 144 8.458 -16.037 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 144 8.612 -13.486 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 144 8.310 -15.584 -3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 144 9.859 -16.133 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 144 11.036 -14.309 -2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 144 9.546 -13.461 -2.241 1.00 0.00 H new ATOM 2186 N THR A 145 10.876 -12.851 -5.300 1.00 0.00 N ATOM 2187 CA THR A 145 12.182 -12.397 -5.874 1.00 0.00 C ATOM 2188 C THR A 145 13.141 -11.846 -4.759 1.00 0.00 C ATOM 2189 O THR A 145 13.049 -10.681 -4.344 1.00 0.00 O ATOM 2190 CB THR A 145 12.013 -11.384 -7.056 1.00 0.00 C ATOM 2191 OG1 THR A 145 11.342 -10.197 -6.660 1.00 0.00 O ATOM 2192 CG2 THR A 145 11.262 -11.905 -8.289 1.00 0.00 C ATOM 0 H THR A 145 10.414 -12.144 -4.728 1.00 0.00 H new ATOM 0 HA THR A 145 12.652 -13.281 -6.305 1.00 0.00 H new ATOM 0 HB THR A 145 13.050 -11.201 -7.336 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.261 -9.595 -7.429 1.00 0.00 H new ATOM 0 HG21 THR A 145 11.207 -11.118 -9.041 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.791 -12.764 -8.701 1.00 0.00 H new ATOM 0 HG23 THR A 145 10.254 -12.204 -8.002 1.00 0.00 H new ATOM 2200 N ASP A 146 14.124 -12.662 -4.331 1.00 0.00 N ATOM 2201 CA ASP A 146 15.230 -12.210 -3.435 1.00 0.00 C ATOM 2202 C ASP A 146 16.275 -11.267 -4.149 1.00 0.00 C ATOM 2203 O ASP A 146 16.415 -11.215 -5.379 1.00 0.00 O ATOM 2204 CB ASP A 146 15.830 -13.468 -2.749 1.00 0.00 C ATOM 2205 CG ASP A 146 16.763 -13.166 -1.572 1.00 0.00 C ATOM 2206 OD1 ASP A 146 17.914 -12.750 -1.820 1.00 0.00 O ATOM 2207 OD2 ASP A 146 16.349 -13.311 -0.406 1.00 0.00 O ATOM 0 H ASP A 146 14.183 -13.647 -4.589 1.00 0.00 H new ATOM 0 HA ASP A 146 14.838 -11.554 -2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 146 15.014 -14.098 -2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 146 16.379 -14.045 -3.493 1.00 0.00 H new ATOM 2212 N HIS A 147 16.925 -10.423 -3.340 1.00 0.00 N ATOM 2213 CA HIS A 147 17.816 -9.332 -3.811 1.00 0.00 C ATOM 2214 C HIS A 147 18.840 -8.924 -2.701 1.00 0.00 C ATOM 2215 O HIS A 147 18.561 -8.964 -1.499 1.00 0.00 O ATOM 2216 CB HIS A 147 16.994 -8.061 -4.198 1.00 0.00 C ATOM 2217 CG HIS A 147 16.063 -8.154 -5.404 1.00 0.00 C ATOM 2218 ND1 HIS A 147 14.724 -8.470 -5.300 1.00 0.00 N ATOM 2219 CD2 HIS A 147 16.391 -7.922 -6.749 1.00 0.00 C ATOM 2220 CE1 HIS A 147 14.340 -8.455 -6.606 1.00 0.00 C ATOM 2221 NE2 HIS A 147 15.267 -8.105 -7.556 1.00 0.00 N ATOM 0 H HIS A 147 16.853 -10.471 -2.324 1.00 0.00 H new ATOM 0 HA HIS A 147 18.345 -9.713 -4.685 1.00 0.00 H new ATOM 0 HB2 HIS A 147 16.395 -7.774 -3.334 1.00 0.00 H new ATOM 0 HB3 HIS A 147 17.699 -7.250 -4.381 1.00 0.00 H new ATOM 0 HD1 HIS A 147 14.169 -8.663 -4.466 1.00 0.00 H new ATOM 0 HD2 HIS A 147 17.371 -7.643 -7.107 1.00 0.00 H new ATOM 0 HE1 HIS A 147 13.330 -8.712 -6.888 1.00 0.00 H new ATOM 2230 N GLU A 148 19.984 -8.379 -3.144 1.00 0.00 N ATOM 2231 CA GLU A 148 21.025 -7.730 -2.287 1.00 0.00 C ATOM 2232 C GLU A 148 20.655 -6.810 -1.063 1.00 0.00 C ATOM 2233 O GLU A 148 21.386 -6.802 -0.071 1.00 0.00 O ATOM 2234 CB GLU A 148 21.984 -7.041 -3.300 1.00 0.00 C ATOM 2235 CG GLU A 148 21.412 -5.850 -4.133 1.00 0.00 C ATOM 2236 CD GLU A 148 22.151 -5.474 -5.406 1.00 0.00 C ATOM 2237 OE1 GLU A 148 22.617 -6.374 -6.136 1.00 0.00 O ATOM 2238 OE2 GLU A 148 22.194 -4.267 -5.722 1.00 0.00 O ATOM 0 H GLU A 148 20.230 -8.370 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 148 21.450 -8.532 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 148 22.853 -6.681 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 148 22.340 -7.800 -3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 148 20.382 -6.087 -4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 148 21.381 -4.971 -3.489 1.00 0.00 H new ATOM 2245 N GLY A 149 19.529 -6.077 -1.099 1.00 0.00 N ATOM 2246 CA GLY A 149 18.882 -5.597 0.159 1.00 0.00 C ATOM 2247 C GLY A 149 17.351 -5.386 0.119 1.00 0.00 C ATOM 2248 O GLY A 149 16.868 -4.405 0.680 1.00 0.00 O ATOM 0 H GLY A 149 19.049 -5.803 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 149 19.106 -6.312 0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 149 19.348 -4.653 0.442 1.00 0.00 H new ATOM 2252 N PHE A 150 16.577 -6.307 -0.487 1.00 0.00 N ATOM 2253 CA PHE A 150 15.088 -6.349 -0.353 1.00 0.00 C ATOM 2254 C PHE A 150 14.523 -7.764 -0.752 1.00 0.00 C ATOM 2255 O PHE A 150 15.116 -8.503 -1.537 1.00 0.00 O ATOM 2256 CB PHE A 150 14.361 -5.146 -1.049 1.00 0.00 C ATOM 2257 CG PHE A 150 14.005 -5.236 -2.544 1.00 0.00 C ATOM 2258 CD1 PHE A 150 14.986 -5.043 -3.518 1.00 0.00 C ATOM 2259 CD2 PHE A 150 12.677 -5.440 -2.944 1.00 0.00 C ATOM 2260 CE1 PHE A 150 14.645 -5.034 -4.869 1.00 0.00 C ATOM 2261 CE2 PHE A 150 12.336 -5.415 -4.294 1.00 0.00 C ATOM 2262 CZ PHE A 150 13.317 -5.201 -5.256 1.00 0.00 C ATOM 0 H PHE A 150 16.954 -7.044 -1.083 1.00 0.00 H new ATOM 0 HA PHE A 150 14.855 -6.210 0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 150 13.435 -4.964 -0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 150 14.988 -4.264 -0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 150 16.015 -4.900 -3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 150 11.914 -5.618 -2.201 1.00 0.00 H new ATOM 0 HE1 PHE A 150 15.411 -4.897 -5.617 1.00 0.00 H new ATOM 0 HE2 PHE A 150 11.309 -5.562 -4.594 1.00 0.00 H new ATOM 0 HZ PHE A 150 13.050 -5.164 -6.302 1.00 0.00 H new ATOM 2272 N THR A 151 13.346 -8.132 -0.239 1.00 0.00 N ATOM 2273 CA THR A 151 12.624 -9.382 -0.637 1.00 0.00 C ATOM 2274 C THR A 151 11.193 -8.966 -1.108 1.00 0.00 C ATOM 2275 O THR A 151 10.320 -8.668 -0.288 1.00 0.00 O ATOM 2276 CB THR A 151 12.624 -10.483 0.490 1.00 0.00 C ATOM 2277 OG1 THR A 151 13.109 -10.002 1.742 1.00 0.00 O ATOM 2278 CG2 THR A 151 13.500 -11.696 0.155 1.00 0.00 C ATOM 0 H THR A 151 12.852 -7.584 0.465 1.00 0.00 H new ATOM 0 HA THR A 151 13.148 -9.869 -1.459 1.00 0.00 H new ATOM 0 HB THR A 151 11.573 -10.765 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 151 14.042 -10.279 1.860 1.00 0.00 H new ATOM 0 HG21 THR A 151 13.454 -12.415 0.973 1.00 0.00 H new ATOM 0 HG22 THR A 151 13.138 -12.164 -0.760 1.00 0.00 H new ATOM 0 HG23 THR A 151 14.531 -11.372 0.014 1.00 0.00 H new ATOM 2286 N LEU A 152 10.944 -8.931 -2.435 1.00 0.00 N ATOM 2287 CA LEU A 152 9.551 -8.873 -2.980 1.00 0.00 C ATOM 2288 C LEU A 152 8.886 -10.274 -2.881 1.00 0.00 C ATOM 2289 O LEU A 152 9.395 -11.253 -3.429 1.00 0.00 O ATOM 2290 CB LEU A 152 9.584 -8.314 -4.438 1.00 0.00 C ATOM 2291 CG LEU A 152 8.346 -8.393 -5.394 1.00 0.00 C ATOM 2292 CD1 LEU A 152 7.996 -9.768 -6.006 1.00 0.00 C ATOM 2293 CD2 LEU A 152 7.072 -7.741 -4.821 1.00 0.00 C ATOM 0 H LEU A 152 11.673 -8.941 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 152 8.939 -8.192 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 152 9.854 -7.261 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 152 10.405 -8.818 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 152 8.720 -7.800 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 152 7.118 -9.669 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 152 8.837 -10.127 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 152 7.785 -10.479 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 152 6.259 -7.836 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 152 6.794 -8.239 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 152 7.260 -6.686 -4.624 1.00 0.00 H new ATOM 2305 N GLN A 153 7.721 -10.314 -2.243 1.00 0.00 N ATOM 2306 CA GLN A 153 6.801 -11.479 -2.278 1.00 0.00 C ATOM 2307 C GLN A 153 5.442 -11.015 -2.926 1.00 0.00 C ATOM 2308 O GLN A 153 4.732 -10.158 -2.383 1.00 0.00 O ATOM 2309 CB GLN A 153 6.724 -12.187 -0.880 1.00 0.00 C ATOM 2310 CG GLN A 153 6.975 -11.364 0.424 1.00 0.00 C ATOM 2311 CD GLN A 153 6.976 -12.079 1.776 1.00 0.00 C ATOM 2312 OE1 GLN A 153 6.410 -11.602 2.750 1.00 0.00 O ATOM 2313 NE2 GLN A 153 7.653 -13.183 1.944 1.00 0.00 N ATOM 0 H GLN A 153 7.373 -9.539 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 153 7.173 -12.278 -2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 153 5.733 -12.634 -0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 153 7.443 -13.006 -0.891 1.00 0.00 H new ATOM 0 HG2 GLN A 153 7.939 -10.867 0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 153 6.217 -10.582 0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 153 8.138 -13.609 1.154 1.00 0.00 H new ATOM 0 HE22 GLN A 153 7.697 -13.619 2.865 1.00 0.00 H new ATOM 2322 N GLU A 154 5.116 -11.551 -4.119 1.00 0.00 N ATOM 2323 CA GLU A 154 3.761 -11.488 -4.738 1.00 0.00 C ATOM 2324 C GLU A 154 2.849 -12.644 -4.186 1.00 0.00 C ATOM 2325 O GLU A 154 3.228 -13.819 -4.188 1.00 0.00 O ATOM 2326 CB GLU A 154 3.895 -11.529 -6.308 1.00 0.00 C ATOM 2327 CG GLU A 154 3.696 -10.149 -6.994 1.00 0.00 C ATOM 2328 CD GLU A 154 3.892 -9.968 -8.489 1.00 0.00 C ATOM 2329 OE1 GLU A 154 2.894 -10.078 -9.238 1.00 0.00 O ATOM 2330 OE2 GLU A 154 4.999 -9.574 -8.907 1.00 0.00 O ATOM 0 H GLU A 154 5.793 -12.050 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 154 3.277 -10.549 -4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 154 4.881 -11.914 -6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 154 3.163 -12.231 -6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 154 2.680 -9.826 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 154 4.370 -9.450 -6.500 1.00 0.00 H new ATOM 2337 N TRP A 155 1.647 -12.301 -3.701 1.00 0.00 N ATOM 2338 CA TRP A 155 0.698 -13.274 -3.072 1.00 0.00 C ATOM 2339 C TRP A 155 -0.727 -13.217 -3.735 1.00 0.00 C ATOM 2340 O TRP A 155 -1.120 -12.207 -4.328 1.00 0.00 O ATOM 2341 CB TRP A 155 0.568 -12.994 -1.544 1.00 0.00 C ATOM 2342 CG TRP A 155 1.810 -12.895 -0.636 1.00 0.00 C ATOM 2343 CD1 TRP A 155 2.684 -11.788 -0.616 1.00 0.00 C ATOM 2344 CD2 TRP A 155 2.119 -13.612 0.509 1.00 0.00 C ATOM 2345 NE1 TRP A 155 3.504 -11.784 0.517 1.00 0.00 N ATOM 2346 CE2 TRP A 155 3.139 -12.912 1.204 1.00 0.00 C ATOM 2347 CE3 TRP A 155 1.533 -14.765 1.085 1.00 0.00 C ATOM 2348 CZ2 TRP A 155 3.537 -13.326 2.491 1.00 0.00 C ATOM 2349 CZ3 TRP A 155 1.990 -15.191 2.338 1.00 0.00 C ATOM 2350 CH2 TRP A 155 2.962 -14.473 3.037 1.00 0.00 C ATOM 0 H TRP A 155 1.291 -11.345 -3.726 1.00 0.00 H new ATOM 0 HA TRP A 155 1.108 -14.271 -3.232 1.00 0.00 H new ATOM 0 HB2 TRP A 155 0.023 -12.056 -1.439 1.00 0.00 H new ATOM 0 HB3 TRP A 155 -0.065 -13.779 -1.131 1.00 0.00 H new ATOM 0 HD1 TRP A 155 2.716 -11.031 -1.386 1.00 0.00 H new ATOM 0 HE1 TRP A 155 4.213 -11.097 0.774 1.00 0.00 H new ATOM 0 HE3 TRP A 155 0.751 -15.304 0.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 155 4.275 -12.764 3.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 155 1.583 -16.092 2.772 1.00 0.00 H new ATOM 0 HH2 TRP A 155 3.273 -14.811 4.015 1.00 0.00 H new ATOM 2361 N VAL A 156 -1.527 -14.289 -3.575 1.00 0.00 N ATOM 2362 CA VAL A 156 -2.886 -14.419 -4.217 1.00 0.00 C ATOM 2363 C VAL A 156 -4.108 -14.743 -3.262 1.00 0.00 C ATOM 2364 O VAL A 156 -5.246 -14.761 -3.739 1.00 0.00 O ATOM 2365 CB VAL A 156 -2.727 -15.402 -5.440 1.00 0.00 C ATOM 2366 CG1 VAL A 156 -2.559 -16.893 -5.060 1.00 0.00 C ATOM 2367 CG2 VAL A 156 -3.834 -15.292 -6.513 1.00 0.00 C ATOM 0 H VAL A 156 -1.268 -15.094 -3.004 1.00 0.00 H new ATOM 0 HA VAL A 156 -3.193 -13.429 -4.554 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.791 -15.047 -5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -2.457 -17.490 -5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 156 -1.668 -17.013 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -3.434 -17.227 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -3.638 -16.006 -7.313 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -4.802 -15.510 -6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.844 -14.282 -6.923 1.00 0.00 H new ATOM 2377 N ARG A 157 -3.918 -14.975 -1.937 1.00 0.00 N ATOM 2378 CA ARG A 157 -5.001 -15.424 -0.993 1.00 0.00 C ATOM 2379 C ARG A 157 -5.460 -16.915 -1.171 1.00 0.00 C ATOM 2380 O ARG A 157 -5.394 -17.485 -2.263 1.00 0.00 O ATOM 2381 CB ARG A 157 -6.160 -14.372 -0.858 1.00 0.00 C ATOM 2382 CG ARG A 157 -6.264 -13.646 0.511 1.00 0.00 C ATOM 2383 CD ARG A 157 -6.726 -12.178 0.409 1.00 0.00 C ATOM 2384 NE ARG A 157 -8.153 -11.990 0.021 1.00 0.00 N ATOM 2385 CZ ARG A 157 -9.115 -11.619 0.844 1.00 0.00 C ATOM 2386 NH1 ARG A 157 -9.031 -11.744 2.137 1.00 0.00 N ATOM 2387 NH2 ARG A 157 -10.186 -11.111 0.327 1.00 0.00 N ATOM 0 H ARG A 157 -3.012 -14.859 -1.483 1.00 0.00 H new ATOM 0 HA ARG A 157 -4.534 -15.452 -0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -6.034 -13.620 -1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.106 -14.877 -1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.960 -14.192 1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -5.291 -13.677 1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.560 -11.693 1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.097 -11.665 -0.319 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.404 -12.161 -0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.192 -12.145 2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.804 -11.441 2.730 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.265 -11.009 -0.685 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.952 -10.812 0.931 1.00 0.00 H new ATOM 2401 N SER A 158 -5.974 -17.561 -0.108 1.00 0.00 N ATOM 2402 CA SER A 158 -6.649 -18.900 -0.211 1.00 0.00 C ATOM 2403 C SER A 158 -7.815 -19.065 -1.244 1.00 0.00 C ATOM 2404 O SER A 158 -8.081 -20.185 -1.692 1.00 0.00 O ATOM 2405 CB SER A 158 -7.151 -19.305 1.199 1.00 0.00 C ATOM 2406 OG SER A 158 -8.231 -18.465 1.637 1.00 0.00 O ATOM 0 H SER A 158 -5.942 -17.189 0.841 1.00 0.00 H new ATOM 0 HA SER A 158 -5.875 -19.556 -0.609 1.00 0.00 H new ATOM 0 HB2 SER A 158 -7.480 -20.344 1.184 1.00 0.00 H new ATOM 0 HB3 SER A 158 -6.328 -19.242 1.911 1.00 0.00 H new ATOM 0 HG SER A 158 -8.277 -18.475 2.616 1.00 0.00 H new