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 41:sc= 0.193 USER MOD Set 1.2: A 147 HIS : no HD1:sc= -0.0255 X(o=0.17,f=0.047) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.3 (180deg=0.21) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0586 USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0.174 (180deg=0.171) USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0524) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.294 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 117:sc= 1.25 USER MOD Single : A 61 GLN : amide:sc= -0.554 K(o=-0.55,f=-2.4) USER MOD Single : A 64 MET CE :methyl -101:sc= 0 (180deg=-1.81) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -50:sc= 0.198 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 175:sc= 0.986 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -15:sc= 1.14 USER MOD Single : A 98 TYR OH : rot 118:sc= 0.109 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 112 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.00097) USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -90:sc= 0.124 USER MOD Single : A 129 THR OG1 : rot -11:sc= 0.321 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 150:sc= 0 USER MOD Single : A 151 THR OG1 : rot -159:sc= 0.431 USER MOD Single : A 153 GLN : amide:sc= -0.708 K(o=-0.71,f=-3.2!) USER MOD Single : A 158 SER OG : rot -167:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.254 -2.411 -12.742 1.00 0.00 N ATOM 2 CA MET A 1 -9.794 -2.000 -11.408 1.00 0.00 C ATOM 3 C MET A 1 -9.659 -2.963 -10.176 1.00 0.00 C ATOM 4 O MET A 1 -10.271 -2.686 -9.142 1.00 0.00 O ATOM 5 CB MET A 1 -11.247 -1.505 -11.649 1.00 0.00 C ATOM 6 CG MET A 1 -12.295 -2.548 -12.104 1.00 0.00 C ATOM 7 SD MET A 1 -13.583 -1.689 -13.027 1.00 0.00 S ATOM 8 CE MET A 1 -15.032 -2.595 -12.478 1.00 0.00 C ATOM 0 H1 MET A 1 -9.898 -2.087 -13.492 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.316 -1.985 -12.883 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.172 -3.447 -12.779 1.00 0.00 H new ATOM 0 HA MET A 1 -9.124 -1.219 -11.049 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.605 -1.051 -10.725 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.212 -0.715 -12.399 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.827 -3.311 -12.726 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.722 -3.059 -11.241 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.921 -2.186 -12.959 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.926 -3.647 -12.745 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.130 -2.503 -11.396 1.00 0.00 H new ATOM 20 N GLU A 2 -8.852 -4.037 -10.226 1.00 0.00 N ATOM 21 CA GLU A 2 -8.589 -4.907 -9.035 1.00 0.00 C ATOM 22 C GLU A 2 -7.753 -4.192 -7.912 1.00 0.00 C ATOM 23 O GLU A 2 -7.023 -3.242 -8.196 1.00 0.00 O ATOM 24 CB GLU A 2 -7.878 -6.178 -9.556 1.00 0.00 C ATOM 25 CG GLU A 2 -8.820 -7.185 -10.271 1.00 0.00 C ATOM 26 CD GLU A 2 -8.079 -8.354 -10.859 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.463 -8.167 -11.929 1.00 0.00 O ATOM 28 OE2 GLU A 2 -8.020 -9.435 -10.233 1.00 0.00 O ATOM 0 H GLU A 2 -8.365 -4.335 -11.071 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.534 -5.155 -8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.089 -5.882 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.396 -6.681 -8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.562 -7.550 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.364 -6.669 -11.062 1.00 0.00 H new ATOM 35 N LEU A 3 -7.843 -4.621 -6.643 1.00 0.00 N ATOM 36 CA LEU A 3 -7.155 -3.929 -5.506 1.00 0.00 C ATOM 37 C LEU A 3 -5.995 -4.763 -4.871 1.00 0.00 C ATOM 38 O LEU A 3 -6.141 -5.956 -4.590 1.00 0.00 O ATOM 39 CB LEU A 3 -8.219 -3.511 -4.446 1.00 0.00 C ATOM 40 CG LEU A 3 -8.761 -2.062 -4.571 1.00 0.00 C ATOM 41 CD1 LEU A 3 -10.032 -1.900 -3.730 1.00 0.00 C ATOM 42 CD2 LEU A 3 -7.754 -0.996 -4.095 1.00 0.00 C ATOM 0 H LEU A 3 -8.381 -5.441 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.667 -3.040 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.060 -4.201 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.784 -3.632 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.957 -1.908 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.404 -0.880 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.792 -2.597 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.805 -2.108 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.193 -0.005 -4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.511 -1.168 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.845 -1.061 -4.694 1.00 0.00 H new ATOM 54 N VAL A 4 -4.861 -4.098 -4.597 1.00 0.00 N ATOM 55 CA VAL A 4 -3.635 -4.741 -4.031 1.00 0.00 C ATOM 56 C VAL A 4 -3.072 -3.980 -2.768 1.00 0.00 C ATOM 57 O VAL A 4 -3.130 -2.749 -2.687 1.00 0.00 O ATOM 58 CB VAL A 4 -2.618 -4.938 -5.211 1.00 0.00 C ATOM 59 CG1 VAL A 4 -1.987 -3.661 -5.807 1.00 0.00 C ATOM 60 CG2 VAL A 4 -1.463 -5.876 -4.843 1.00 0.00 C ATOM 0 H VAL A 4 -4.755 -3.096 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.866 -5.723 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.267 -5.367 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.305 -3.934 -6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.773 -3.016 -6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.437 -3.130 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.790 -5.976 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.916 -5.464 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.860 -6.856 -4.577 1.00 0.00 H new ATOM 70 N SER A 5 -2.506 -4.708 -1.785 1.00 0.00 N ATOM 71 CA SER A 5 -1.931 -4.119 -0.529 1.00 0.00 C ATOM 72 C SER A 5 -0.367 -4.014 -0.619 1.00 0.00 C ATOM 73 O SER A 5 0.320 -5.038 -0.635 1.00 0.00 O ATOM 74 CB SER A 5 -2.405 -4.893 0.753 1.00 0.00 C ATOM 75 OG SER A 5 -3.360 -5.947 0.545 1.00 0.00 O ATOM 0 H SER A 5 -2.428 -5.724 -1.826 1.00 0.00 H new ATOM 0 HA SER A 5 -2.317 -3.104 -0.433 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.527 -5.318 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.837 -4.172 1.447 1.00 0.00 H new ATOM 0 HG SER A 5 -3.583 -6.361 1.405 1.00 0.00 H new ATOM 81 N VAL A 6 0.203 -2.794 -0.691 1.00 0.00 N ATOM 82 CA VAL A 6 1.665 -2.556 -0.971 1.00 0.00 C ATOM 83 C VAL A 6 2.353 -1.951 0.305 1.00 0.00 C ATOM 84 O VAL A 6 2.152 -0.787 0.661 1.00 0.00 O ATOM 85 CB VAL A 6 1.990 -1.805 -2.337 1.00 0.00 C ATOM 86 CG1 VAL A 6 0.843 -1.722 -3.369 1.00 0.00 C ATOM 87 CG2 VAL A 6 2.610 -0.384 -2.289 1.00 0.00 C ATOM 0 H VAL A 6 -0.326 -1.932 -0.558 1.00 0.00 H new ATOM 0 HA VAL A 6 2.120 -3.527 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 6 2.762 -2.508 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.188 -1.188 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.533 -2.728 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.002 -1.191 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.767 -0.021 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.934 0.290 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.566 -0.421 -1.766 1.00 0.00 H new ATOM 97 N ALA A 7 3.194 -2.734 0.990 1.00 0.00 N ATOM 98 CA ALA A 7 3.943 -2.285 2.200 1.00 0.00 C ATOM 99 C ALA A 7 5.489 -2.482 2.084 1.00 0.00 C ATOM 100 O ALA A 7 5.995 -3.094 1.139 1.00 0.00 O ATOM 101 CB ALA A 7 3.314 -3.081 3.363 1.00 0.00 C ATOM 0 H ALA A 7 3.384 -3.702 0.731 1.00 0.00 H new ATOM 0 HA ALA A 7 3.852 -1.209 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.807 -2.812 4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.252 -2.846 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.438 -4.149 3.182 1.00 0.00 H new ATOM 107 N ALA A 8 6.260 -1.955 3.049 1.00 0.00 N ATOM 108 CA ALA A 8 7.694 -2.326 3.221 1.00 0.00 C ATOM 109 C ALA A 8 8.023 -2.575 4.733 1.00 0.00 C ATOM 110 O ALA A 8 7.898 -1.678 5.573 1.00 0.00 O ATOM 111 CB ALA A 8 8.582 -1.275 2.524 1.00 0.00 C ATOM 0 H ALA A 8 5.924 -1.270 3.727 1.00 0.00 H new ATOM 0 HA ALA A 8 7.911 -3.276 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.631 -1.544 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.340 -1.241 1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.404 -0.296 2.968 1.00 0.00 H new ATOM 117 N LEU A 9 8.397 -3.820 5.067 1.00 0.00 N ATOM 118 CA LEU A 9 8.754 -4.227 6.459 1.00 0.00 C ATOM 119 C LEU A 9 10.236 -3.873 6.802 1.00 0.00 C ATOM 120 O LEU A 9 11.141 -4.059 5.982 1.00 0.00 O ATOM 121 CB LEU A 9 8.561 -5.776 6.608 1.00 0.00 C ATOM 122 CG LEU A 9 7.161 -6.371 6.919 1.00 0.00 C ATOM 123 CD1 LEU A 9 6.829 -6.290 8.420 1.00 0.00 C ATOM 124 CD2 LEU A 9 6.015 -5.772 6.090 1.00 0.00 C ATOM 0 H LEU A 9 8.464 -4.580 4.390 1.00 0.00 H new ATOM 0 HA LEU A 9 8.103 -3.685 7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.906 -6.233 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.234 -6.109 7.398 1.00 0.00 H new ATOM 0 HG LEU A 9 7.237 -7.417 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.842 -6.716 8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.573 -6.849 8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.837 -5.248 8.739 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.075 -6.246 6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.952 -4.700 6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.204 -5.944 5.030 1.00 0.00 H new ATOM 136 N ALA A 10 10.481 -3.450 8.049 1.00 0.00 N ATOM 137 CA ALA A 10 11.862 -3.303 8.587 1.00 0.00 C ATOM 138 C ALA A 10 12.053 -4.068 9.944 1.00 0.00 C ATOM 139 O ALA A 10 12.339 -3.466 10.983 1.00 0.00 O ATOM 140 CB ALA A 10 12.089 -1.776 8.630 1.00 0.00 C ATOM 0 H ALA A 10 9.748 -3.201 8.713 1.00 0.00 H new ATOM 0 HA ALA A 10 12.628 -3.771 7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.087 -1.567 9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.995 -1.366 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.345 -1.316 9.280 1.00 0.00 H new ATOM 400 N PRO A 27 17.622 2.259 -3.385 1.00 0.00 N ATOM 401 CA PRO A 27 16.785 2.455 -4.611 1.00 0.00 C ATOM 402 C PRO A 27 16.017 1.242 -5.240 1.00 0.00 C ATOM 403 O PRO A 27 15.171 1.465 -6.105 1.00 0.00 O ATOM 404 CB PRO A 27 17.808 3.031 -5.610 1.00 0.00 C ATOM 405 CG PRO A 27 18.864 3.705 -4.740 1.00 0.00 C ATOM 406 CD PRO A 27 18.992 2.777 -3.532 1.00 0.00 C ATOM 0 HA PRO A 27 15.930 3.075 -4.342 1.00 0.00 H new ATOM 0 HB2 PRO A 27 18.245 2.245 -6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.340 3.744 -6.288 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.812 3.806 -5.268 1.00 0.00 H new ATOM 0 HG3 PRO A 27 18.556 4.708 -4.443 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.712 1.978 -3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 27 19.322 3.312 -2.642 1.00 0.00 H new ATOM 414 N ALA A 28 16.331 -0.007 -4.856 1.00 0.00 N ATOM 415 CA ALA A 28 15.716 -1.240 -5.423 1.00 0.00 C ATOM 416 C ALA A 28 14.321 -1.660 -4.856 1.00 0.00 C ATOM 417 O ALA A 28 13.424 -1.954 -5.652 1.00 0.00 O ATOM 418 CB ALA A 28 16.782 -2.344 -5.322 1.00 0.00 C ATOM 0 H ALA A 28 17.026 -0.201 -4.135 1.00 0.00 H new ATOM 0 HA ALA A 28 15.443 -1.037 -6.458 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.382 -3.274 -5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.664 -2.051 -5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.056 -2.490 -4.277 1.00 0.00 H new ATOM 424 N ASP A 29 14.093 -1.594 -3.524 1.00 0.00 N ATOM 425 CA ASP A 29 12.733 -1.394 -2.928 1.00 0.00 C ATOM 426 C ASP A 29 11.888 -0.290 -3.666 1.00 0.00 C ATOM 427 O ASP A 29 10.901 -0.617 -4.331 1.00 0.00 O ATOM 428 CB ASP A 29 12.918 -1.147 -1.401 1.00 0.00 C ATOM 429 CG ASP A 29 11.640 -0.819 -0.634 1.00 0.00 C ATOM 430 OD1 ASP A 29 11.128 0.300 -0.812 1.00 0.00 O ATOM 431 OD2 ASP A 29 11.126 -1.657 0.121 1.00 0.00 O ATOM 0 H ASP A 29 14.835 -1.676 -2.829 1.00 0.00 H new ATOM 0 HA ASP A 29 12.129 -2.290 -3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.370 -2.034 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.624 -0.328 -1.265 1.00 0.00 H new ATOM 436 N LYS A 30 12.357 0.970 -3.689 1.00 0.00 N ATOM 437 CA LYS A 30 11.694 2.072 -4.460 1.00 0.00 C ATOM 438 C LYS A 30 11.881 2.023 -6.041 1.00 0.00 C ATOM 439 O LYS A 30 11.496 2.968 -6.741 1.00 0.00 O ATOM 440 CB LYS A 30 12.023 3.427 -3.747 1.00 0.00 C ATOM 441 CG LYS A 30 11.643 3.538 -2.237 1.00 0.00 C ATOM 442 CD LYS A 30 10.131 3.611 -1.912 1.00 0.00 C ATOM 443 CE LYS A 30 9.873 3.228 -0.440 1.00 0.00 C ATOM 444 NZ LYS A 30 8.539 3.662 0.015 1.00 0.00 N ATOM 0 H LYS A 30 13.194 1.265 -3.186 1.00 0.00 H new ATOM 0 HA LYS A 30 10.613 1.932 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.093 3.610 -3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.514 4.226 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.064 2.679 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.124 4.427 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.761 4.619 -2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.579 2.940 -2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.962 2.148 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.637 3.680 0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.424 3.432 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.444 4.689 -0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.807 3.172 -0.538 1.00 0.00 H new ATOM 458 N LYS A 31 12.334 0.884 -6.616 1.00 0.00 N ATOM 459 CA LYS A 31 12.020 0.453 -8.009 1.00 0.00 C ATOM 460 C LYS A 31 10.836 -0.563 -8.139 1.00 0.00 C ATOM 461 O LYS A 31 10.128 -0.450 -9.137 1.00 0.00 O ATOM 462 CB LYS A 31 13.250 -0.134 -8.778 1.00 0.00 C ATOM 463 CG LYS A 31 14.335 0.837 -9.303 1.00 0.00 C ATOM 464 CD LYS A 31 13.854 2.127 -10.018 1.00 0.00 C ATOM 465 CE LYS A 31 13.108 1.997 -11.371 1.00 0.00 C ATOM 466 NZ LYS A 31 11.688 1.523 -11.245 1.00 0.00 N ATOM 0 H LYS A 31 12.937 0.226 -6.122 1.00 0.00 H new ATOM 0 HA LYS A 31 11.713 1.393 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.740 -0.851 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.869 -0.695 -9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.959 1.132 -8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.973 0.287 -9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.199 2.661 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.727 2.759 -10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.114 2.965 -11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.656 1.305 -12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.201 1.638 -12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.680 0.519 -10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.198 2.083 -10.518 1.00 0.00 H new ATOM 480 N GLN A 32 10.631 -1.546 -7.241 1.00 0.00 N ATOM 481 CA GLN A 32 9.389 -2.386 -7.220 1.00 0.00 C ATOM 482 C GLN A 32 8.137 -1.655 -6.628 1.00 0.00 C ATOM 483 O GLN A 32 7.093 -1.591 -7.286 1.00 0.00 O ATOM 484 CB GLN A 32 9.703 -3.721 -6.499 1.00 0.00 C ATOM 485 CG GLN A 32 8.690 -4.867 -6.778 1.00 0.00 C ATOM 486 CD GLN A 32 8.887 -5.652 -8.092 1.00 0.00 C ATOM 487 OE1 GLN A 32 9.938 -5.639 -8.724 1.00 0.00 O ATOM 488 NE2 GLN A 32 7.901 -6.388 -8.542 1.00 0.00 N ATOM 0 H GLN A 32 11.304 -1.788 -6.514 1.00 0.00 H new ATOM 0 HA GLN A 32 9.101 -2.592 -8.251 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.697 -4.053 -6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.737 -3.538 -5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.735 -5.573 -5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.686 -4.442 -6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.015 -6.418 -8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.019 -6.931 -9.397 1.00 0.00 H new ATOM 497 N TYR A 33 8.267 -1.019 -5.446 1.00 0.00 N ATOM 498 CA TYR A 33 7.334 0.047 -4.962 1.00 0.00 C ATOM 499 C TYR A 33 6.935 1.136 -6.032 1.00 0.00 C ATOM 500 O TYR A 33 5.753 1.450 -6.169 1.00 0.00 O ATOM 501 CB TYR A 33 7.974 0.705 -3.694 1.00 0.00 C ATOM 502 CG TYR A 33 7.072 0.931 -2.476 1.00 0.00 C ATOM 503 CD1 TYR A 33 6.270 2.073 -2.373 1.00 0.00 C ATOM 504 CD2 TYR A 33 7.120 0.029 -1.409 1.00 0.00 C ATOM 505 CE1 TYR A 33 5.504 2.290 -1.225 1.00 0.00 C ATOM 506 CE2 TYR A 33 6.358 0.251 -0.267 1.00 0.00 C ATOM 507 CZ TYR A 33 5.538 1.369 -0.179 1.00 0.00 C ATOM 508 OH TYR A 33 4.736 1.512 0.920 1.00 0.00 O ATOM 0 H TYR A 33 9.021 -1.223 -4.790 1.00 0.00 H new ATOM 0 HA TYR A 33 6.386 -0.438 -4.729 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.812 0.082 -3.380 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.387 1.670 -3.989 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.243 2.788 -3.182 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.752 -0.845 -1.472 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.885 3.172 -1.148 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.404 -0.448 0.555 1.00 0.00 H new ATOM 0 HH TYR A 33 4.899 0.773 1.542 1.00 0.00 H new ATOM 518 N ARG A 34 7.907 1.649 -6.825 1.00 0.00 N ATOM 519 CA ARG A 34 7.628 2.507 -8.024 1.00 0.00 C ATOM 520 C ARG A 34 7.877 1.802 -9.422 1.00 0.00 C ATOM 521 O ARG A 34 8.500 2.345 -10.342 1.00 0.00 O ATOM 522 CB ARG A 34 8.423 3.834 -7.818 1.00 0.00 C ATOM 523 CG ARG A 34 7.754 5.088 -8.440 1.00 0.00 C ATOM 524 CD ARG A 34 8.662 6.288 -8.798 1.00 0.00 C ATOM 525 NE ARG A 34 9.542 6.712 -7.666 1.00 0.00 N ATOM 526 CZ ARG A 34 9.412 7.809 -6.927 1.00 0.00 C ATOM 527 NH1 ARG A 34 8.601 8.794 -7.203 1.00 0.00 N ATOM 528 NH2 ARG A 34 10.146 7.898 -5.861 1.00 0.00 N ATOM 0 H ARG A 34 8.901 1.487 -6.662 1.00 0.00 H new ATOM 0 HA ARG A 34 6.560 2.715 -8.086 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.556 4.001 -6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.418 3.717 -8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.238 4.776 -9.348 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.992 5.440 -7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.283 6.024 -9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.040 7.130 -9.102 1.00 0.00 H new ATOM 0 HE ARG A 34 10.322 6.096 -7.437 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.012 8.752 -8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.556 9.606 -6.587 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.789 7.144 -5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.080 8.722 -5.264 1.00 0.00 H new ATOM 542 N SER A 35 7.374 0.569 -9.564 1.00 0.00 N ATOM 543 CA SER A 35 6.951 -0.054 -10.861 1.00 0.00 C ATOM 544 C SER A 35 5.578 -0.818 -10.749 1.00 0.00 C ATOM 545 O SER A 35 4.909 -0.975 -11.771 1.00 0.00 O ATOM 546 CB SER A 35 8.048 -0.979 -11.441 1.00 0.00 C ATOM 547 OG SER A 35 7.788 -1.304 -12.810 1.00 0.00 O ATOM 0 H SER A 35 7.239 -0.054 -8.768 1.00 0.00 H new ATOM 0 HA SER A 35 6.803 0.773 -11.556 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.019 -0.490 -11.360 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.102 -1.895 -10.852 1.00 0.00 H new ATOM 0 HG SER A 35 8.499 -1.888 -13.148 1.00 0.00 H new ATOM 553 N ARG A 36 5.102 -1.235 -9.548 1.00 0.00 N ATOM 554 CA ARG A 36 3.653 -1.137 -9.201 1.00 0.00 C ATOM 555 C ARG A 36 3.112 0.329 -9.299 1.00 0.00 C ATOM 556 O ARG A 36 2.368 0.621 -10.233 1.00 0.00 O ATOM 557 CB ARG A 36 3.409 -1.796 -7.798 1.00 0.00 C ATOM 558 CG ARG A 36 2.980 -3.281 -7.855 1.00 0.00 C ATOM 559 CD ARG A 36 1.488 -3.464 -8.216 1.00 0.00 C ATOM 560 NE ARG A 36 1.308 -4.822 -8.803 1.00 0.00 N ATOM 561 CZ ARG A 36 1.092 -5.085 -10.086 1.00 0.00 C ATOM 562 NH1 ARG A 36 0.670 -4.201 -10.957 1.00 0.00 N ATOM 563 NH2 ARG A 36 1.315 -6.294 -10.486 1.00 0.00 N ATOM 0 H ARG A 36 5.685 -1.636 -8.813 1.00 0.00 H new ATOM 0 HA ARG A 36 3.075 -1.692 -9.939 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.323 -1.717 -7.209 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.641 -1.229 -7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.593 -3.803 -8.590 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.175 -3.747 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.866 -3.349 -7.328 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.173 -2.699 -8.926 1.00 0.00 H new ATOM 0 HE ARG A 36 1.355 -5.616 -8.165 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.487 -3.242 -10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.525 -4.472 -11.930 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.643 -6.998 -9.824 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.163 -6.544 -11.463 1.00 0.00 H new ATOM 577 N VAL A 37 3.532 1.244 -8.404 1.00 0.00 N ATOM 578 CA VAL A 37 3.061 2.665 -8.411 1.00 0.00 C ATOM 579 C VAL A 37 3.843 3.501 -9.491 1.00 0.00 C ATOM 580 O VAL A 37 4.861 4.129 -9.189 1.00 0.00 O ATOM 581 CB VAL A 37 3.124 3.283 -6.962 1.00 0.00 C ATOM 582 CG1 VAL A 37 2.339 4.609 -6.892 1.00 0.00 C ATOM 583 CG2 VAL A 37 2.601 2.409 -5.789 1.00 0.00 C ATOM 0 H VAL A 37 4.198 1.035 -7.661 1.00 0.00 H new ATOM 0 HA VAL A 37 2.012 2.697 -8.704 1.00 0.00 H new ATOM 0 HB VAL A 37 4.198 3.398 -6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.398 5.014 -5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.768 5.323 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.295 4.428 -7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.704 2.957 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.551 2.168 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.181 1.487 -5.735 1.00 0.00 H new ATOM 593 N ALA A 38 3.396 3.455 -10.760 1.00 0.00 N ATOM 594 CA ALA A 38 4.063 4.154 -11.896 1.00 0.00 C ATOM 595 C ALA A 38 3.259 5.403 -12.401 1.00 0.00 C ATOM 596 O ALA A 38 3.525 6.513 -11.935 1.00 0.00 O ATOM 597 CB ALA A 38 4.412 3.072 -12.948 1.00 0.00 C ATOM 0 H ALA A 38 2.563 2.935 -11.036 1.00 0.00 H new ATOM 0 HA ALA A 38 4.997 4.626 -11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.904 3.539 -13.801 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.080 2.334 -12.503 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.498 2.580 -13.281 1.00 0.00 H new ATOM 603 N ASP A 39 2.299 5.241 -13.329 1.00 0.00 N ATOM 604 CA ASP A 39 1.380 6.340 -13.763 1.00 0.00 C ATOM 605 C ASP A 39 -0.115 5.837 -13.728 1.00 0.00 C ATOM 606 O ASP A 39 -0.825 5.838 -14.734 1.00 0.00 O ATOM 607 CB ASP A 39 1.916 6.875 -15.128 1.00 0.00 C ATOM 608 CG ASP A 39 1.387 8.215 -15.656 1.00 0.00 C ATOM 609 OD1 ASP A 39 0.667 8.954 -14.947 1.00 0.00 O ATOM 610 OD2 ASP A 39 1.752 8.559 -16.802 1.00 0.00 O ATOM 0 H ASP A 39 2.129 4.355 -13.804 1.00 0.00 H new ATOM 0 HA ASP A 39 1.368 7.195 -13.086 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.000 6.957 -15.048 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.709 6.117 -15.884 1.00 0.00 H new ATOM 615 N ASP A 40 -0.602 5.420 -12.537 1.00 0.00 N ATOM 616 CA ASP A 40 -2.011 4.947 -12.330 1.00 0.00 C ATOM 617 C ASP A 40 -2.471 5.178 -10.811 1.00 0.00 C ATOM 618 O ASP A 40 -1.629 5.522 -9.966 1.00 0.00 O ATOM 619 CB ASP A 40 -2.100 3.474 -12.865 1.00 0.00 C ATOM 620 CG ASP A 40 -3.365 3.035 -13.602 1.00 0.00 C ATOM 621 OD1 ASP A 40 -4.062 3.865 -14.225 1.00 0.00 O ATOM 622 OD2 ASP A 40 -3.684 1.831 -13.542 1.00 0.00 O ATOM 0 H ASP A 40 -0.039 5.398 -11.687 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.735 5.530 -12.899 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.255 3.314 -13.535 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.964 2.805 -12.015 1.00 0.00 H new ATOM 627 N PRO A 41 -3.770 5.064 -10.381 1.00 0.00 N ATOM 628 CA PRO A 41 -4.250 5.541 -9.047 1.00 0.00 C ATOM 629 C PRO A 41 -3.689 4.905 -7.730 1.00 0.00 C ATOM 630 O PRO A 41 -3.682 3.685 -7.532 1.00 0.00 O ATOM 631 CB PRO A 41 -5.774 5.321 -9.145 1.00 0.00 C ATOM 632 CG PRO A 41 -6.111 5.332 -10.635 1.00 0.00 C ATOM 633 CD PRO A 41 -4.881 4.710 -11.279 1.00 0.00 C ATOM 0 HA PRO A 41 -3.887 6.560 -8.912 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.061 4.374 -8.688 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.315 6.106 -8.618 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.011 4.755 -10.848 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.287 6.344 -11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.986 3.629 -11.372 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.719 5.102 -12.283 1.00 0.00 H new ATOM 641 N VAL A 42 -3.304 5.769 -6.779 1.00 0.00 N ATOM 642 CA VAL A 42 -2.593 5.374 -5.526 1.00 0.00 C ATOM 643 C VAL A 42 -3.458 5.656 -4.245 1.00 0.00 C ATOM 644 O VAL A 42 -3.770 6.807 -3.926 1.00 0.00 O ATOM 645 CB VAL A 42 -1.156 6.019 -5.518 1.00 0.00 C ATOM 646 CG1 VAL A 42 -1.105 7.566 -5.591 1.00 0.00 C ATOM 647 CG2 VAL A 42 -0.314 5.578 -4.301 1.00 0.00 C ATOM 0 H VAL A 42 -3.473 6.773 -6.846 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.448 4.294 -5.503 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.734 5.636 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.066 7.897 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.582 7.903 -6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.630 7.988 -4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.666 6.052 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.819 5.875 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.194 4.495 -4.315 1.00 0.00 H new ATOM 657 N VAL A 43 -3.808 4.609 -3.482 1.00 0.00 N ATOM 658 CA VAL A 43 -4.623 4.723 -2.234 1.00 0.00 C ATOM 659 C VAL A 43 -3.694 4.840 -0.976 1.00 0.00 C ATOM 660 O VAL A 43 -2.885 3.957 -0.689 1.00 0.00 O ATOM 661 CB VAL A 43 -5.654 3.541 -2.131 1.00 0.00 C ATOM 662 CG1 VAL A 43 -6.599 3.700 -0.913 1.00 0.00 C ATOM 663 CG2 VAL A 43 -6.577 3.325 -3.361 1.00 0.00 C ATOM 0 H VAL A 43 -3.539 3.650 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.210 5.641 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.993 2.679 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.295 2.862 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.010 3.719 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.157 4.632 -1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.243 2.483 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.168 4.224 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.968 3.116 -4.241 1.00 0.00 H new ATOM 673 N LEU A 44 -3.817 5.913 -0.189 1.00 0.00 N ATOM 674 CA LEU A 44 -3.006 6.120 1.048 1.00 0.00 C ATOM 675 C LEU A 44 -3.769 6.941 2.146 1.00 0.00 C ATOM 676 O LEU A 44 -4.895 7.410 1.956 1.00 0.00 O ATOM 677 CB LEU A 44 -1.592 6.642 0.640 1.00 0.00 C ATOM 678 CG LEU A 44 -1.454 7.952 -0.183 1.00 0.00 C ATOM 679 CD1 LEU A 44 -1.796 9.206 0.636 1.00 0.00 C ATOM 680 CD2 LEU A 44 -0.022 8.054 -0.729 1.00 0.00 C ATOM 0 H LEU A 44 -4.475 6.669 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.843 5.173 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.018 6.774 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.106 5.849 0.071 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.172 7.907 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.682 10.091 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.825 9.141 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.123 9.277 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.082 8.972 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.684 8.067 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.186 7.196 -1.368 1.00 0.00 H new ATOM 692 N GLY A 45 -3.165 7.106 3.337 1.00 0.00 N ATOM 693 CA GLY A 45 -3.756 7.929 4.431 1.00 0.00 C ATOM 694 C GLY A 45 -3.295 9.400 4.494 1.00 0.00 C ATOM 695 O GLY A 45 -2.219 9.772 4.021 1.00 0.00 O ATOM 0 H GLY A 45 -2.268 6.684 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.841 7.913 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.521 7.454 5.384 1.00 0.00 H new ATOM 699 N ARG A 46 -4.099 10.248 5.153 1.00 0.00 N ATOM 700 CA ARG A 46 -3.739 11.689 5.349 1.00 0.00 C ATOM 701 C ARG A 46 -2.399 12.032 6.117 1.00 0.00 C ATOM 702 O ARG A 46 -1.809 13.078 5.836 1.00 0.00 O ATOM 703 CB ARG A 46 -4.973 12.416 5.954 1.00 0.00 C ATOM 704 CG ARG A 46 -4.907 13.953 5.826 1.00 0.00 C ATOM 705 CD ARG A 46 -6.006 14.678 6.611 1.00 0.00 C ATOM 706 NE ARG A 46 -5.907 16.119 6.252 1.00 0.00 N ATOM 707 CZ ARG A 46 -6.648 17.099 6.737 1.00 0.00 C ATOM 708 NH1 ARG A 46 -7.578 16.926 7.629 1.00 0.00 N ATOM 709 NH2 ARG A 46 -6.425 18.294 6.297 1.00 0.00 N ATOM 0 H ARG A 46 -4.995 9.980 5.560 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.489 12.060 4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.875 12.057 5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.060 12.151 7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.934 14.298 6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.983 14.226 4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.989 14.282 6.356 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.873 14.536 7.684 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.198 16.375 5.565 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.768 15.992 7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.117 17.724 7.965 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.698 18.453 5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.976 19.078 6.647 1.00 0.00 H new ATOM 723 N THR A 47 -1.935 11.190 7.050 1.00 0.00 N ATOM 724 CA THR A 47 -0.577 11.289 7.679 1.00 0.00 C ATOM 725 C THR A 47 0.629 11.239 6.671 1.00 0.00 C ATOM 726 O THR A 47 1.363 12.223 6.557 1.00 0.00 O ATOM 727 CB THR A 47 -0.455 10.226 8.820 1.00 0.00 C ATOM 728 OG1 THR A 47 -0.718 8.905 8.338 1.00 0.00 O ATOM 729 CG2 THR A 47 -1.355 10.461 10.045 1.00 0.00 C ATOM 0 H THR A 47 -2.484 10.407 7.405 1.00 0.00 H new ATOM 0 HA THR A 47 -0.499 12.289 8.105 1.00 0.00 H new ATOM 0 HB THR A 47 0.578 10.337 9.149 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.632 8.265 9.075 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.192 9.667 10.774 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.112 11.423 10.496 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.400 10.459 9.735 1.00 0.00 H new ATOM 737 N THR A 48 0.810 10.160 5.882 1.00 0.00 N ATOM 738 CA THR A 48 1.818 10.122 4.763 1.00 0.00 C ATOM 739 C THR A 48 1.644 11.181 3.601 1.00 0.00 C ATOM 740 O THR A 48 2.635 11.632 3.018 1.00 0.00 O ATOM 741 CB THR A 48 1.993 8.648 4.277 1.00 0.00 C ATOM 742 OG1 THR A 48 3.167 8.513 3.484 1.00 0.00 O ATOM 743 CG2 THR A 48 0.849 8.071 3.432 1.00 0.00 C ATOM 0 H THR A 48 0.279 9.295 5.986 1.00 0.00 H new ATOM 0 HA THR A 48 2.758 10.473 5.190 1.00 0.00 H new ATOM 0 HB THR A 48 2.031 8.092 5.214 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.259 7.582 3.191 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.084 7.044 3.154 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.075 8.088 4.010 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.724 8.671 2.531 1.00 0.00 H new ATOM 751 N PHE A 49 0.408 11.630 3.317 1.00 0.00 N ATOM 752 CA PHE A 49 0.112 12.778 2.402 1.00 0.00 C ATOM 753 C PHE A 49 0.805 14.170 2.682 1.00 0.00 C ATOM 754 O PHE A 49 0.884 14.977 1.755 1.00 0.00 O ATOM 755 CB PHE A 49 -1.445 12.880 2.362 1.00 0.00 C ATOM 756 CG PHE A 49 -2.066 13.906 1.391 1.00 0.00 C ATOM 757 CD1 PHE A 49 -2.273 15.222 1.824 1.00 0.00 C ATOM 758 CD2 PHE A 49 -2.426 13.552 0.089 1.00 0.00 C ATOM 759 CE1 PHE A 49 -2.808 16.175 0.961 1.00 0.00 C ATOM 760 CE2 PHE A 49 -2.986 14.500 -0.768 1.00 0.00 C ATOM 761 CZ PHE A 49 -3.167 15.811 -0.336 1.00 0.00 C ATOM 0 H PHE A 49 -0.432 11.210 3.715 1.00 0.00 H new ATOM 0 HA PHE A 49 0.568 12.551 1.439 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.840 11.896 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.793 13.115 3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.016 15.500 2.835 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.270 12.540 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.944 17.193 1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.279 14.216 -1.768 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.586 16.547 -1.006 1.00 0.00 H new ATOM 771 N GLU A 50 1.290 14.512 3.896 1.00 0.00 N ATOM 772 CA GLU A 50 2.201 15.692 4.081 1.00 0.00 C ATOM 773 C GLU A 50 3.678 15.598 3.571 1.00 0.00 C ATOM 774 O GLU A 50 4.271 16.644 3.290 1.00 0.00 O ATOM 775 CB GLU A 50 1.997 16.383 5.454 1.00 0.00 C ATOM 776 CG GLU A 50 2.292 15.629 6.765 1.00 0.00 C ATOM 777 CD GLU A 50 1.906 16.444 7.997 1.00 0.00 C ATOM 778 OE1 GLU A 50 0.719 16.839 8.117 1.00 0.00 O ATOM 779 OE2 GLU A 50 2.791 16.718 8.831 1.00 0.00 O ATOM 0 H GLU A 50 1.078 14.006 4.756 1.00 0.00 H new ATOM 0 HA GLU A 50 1.844 16.388 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.613 17.282 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.958 16.709 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.747 14.685 6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.353 15.384 6.811 1.00 0.00 H new ATOM 786 N SER A 51 4.218 14.393 3.315 1.00 0.00 N ATOM 787 CA SER A 51 5.255 14.197 2.255 1.00 0.00 C ATOM 788 C SER A 51 4.704 14.288 0.779 1.00 0.00 C ATOM 789 O SER A 51 5.332 14.940 -0.057 1.00 0.00 O ATOM 790 CB SER A 51 5.991 12.858 2.504 1.00 0.00 C ATOM 791 OG SER A 51 6.704 12.853 3.743 1.00 0.00 O ATOM 0 H SER A 51 3.965 13.541 3.815 1.00 0.00 H new ATOM 0 HA SER A 51 5.953 15.030 2.336 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.268 12.042 2.500 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.687 12.671 1.686 1.00 0.00 H new ATOM 0 HG SER A 51 7.151 11.989 3.859 1.00 0.00 H new ATOM 797 N MET A 52 3.539 13.685 0.443 1.00 0.00 N ATOM 798 CA MET A 52 2.911 13.787 -0.922 1.00 0.00 C ATOM 799 C MET A 52 2.148 15.152 -1.208 1.00 0.00 C ATOM 800 O MET A 52 0.973 15.199 -1.586 1.00 0.00 O ATOM 801 CB MET A 52 2.049 12.515 -1.211 1.00 0.00 C ATOM 802 CG MET A 52 2.575 11.124 -0.771 1.00 0.00 C ATOM 803 SD MET A 52 4.257 10.833 -1.356 1.00 0.00 S ATOM 804 CE MET A 52 4.649 9.397 -0.340 1.00 0.00 C ATOM 0 H MET A 52 3.001 13.115 1.096 1.00 0.00 H new ATOM 0 HA MET A 52 3.728 13.817 -1.643 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.079 12.663 -0.737 1.00 0.00 H new ATOM 0 HB3 MET A 52 1.876 12.474 -2.286 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.550 11.052 0.316 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.916 10.347 -1.157 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.663 9.062 -0.559 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.575 9.666 0.714 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.946 8.593 -0.560 1.00 0.00 H new ATOM 814 N ARG A 53 2.877 16.268 -1.040 1.00 0.00 N ATOM 815 CA ARG A 53 2.502 17.628 -1.539 1.00 0.00 C ATOM 816 C ARG A 53 3.395 18.111 -2.737 1.00 0.00 C ATOM 817 O ARG A 53 2.858 18.662 -3.701 1.00 0.00 O ATOM 818 CB ARG A 53 2.559 18.631 -0.343 1.00 0.00 C ATOM 819 CG ARG A 53 1.281 18.656 0.530 1.00 0.00 C ATOM 820 CD ARG A 53 1.419 19.618 1.729 1.00 0.00 C ATOM 821 NE ARG A 53 0.084 19.926 2.331 1.00 0.00 N ATOM 822 CZ ARG A 53 -0.543 19.189 3.237 1.00 0.00 C ATOM 823 NH1 ARG A 53 -0.089 18.070 3.675 1.00 0.00 N ATOM 824 NH2 ARG A 53 -1.667 19.596 3.715 1.00 0.00 N ATOM 0 H ARG A 53 3.768 16.263 -0.543 1.00 0.00 H new ATOM 0 HA ARG A 53 1.489 17.580 -1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.411 18.377 0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.738 19.633 -0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.430 18.958 -0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.071 17.650 0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.067 19.172 2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.897 20.542 1.404 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.384 20.776 2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.797 17.707 3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.615 17.545 4.373 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.067 20.478 3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.157 19.036 4.413 1.00 0.00 H new ATOM 838 N ASP A 54 4.725 17.925 -2.661 1.00 0.00 N ATOM 839 CA ASP A 54 5.711 18.353 -3.696 1.00 0.00 C ATOM 840 C ASP A 54 5.717 17.527 -5.043 1.00 0.00 C ATOM 841 O ASP A 54 5.888 18.107 -6.119 1.00 0.00 O ATOM 842 CB ASP A 54 7.100 18.322 -2.992 1.00 0.00 C ATOM 843 CG ASP A 54 7.305 19.291 -1.815 1.00 0.00 C ATOM 844 OD1 ASP A 54 6.789 19.010 -0.708 1.00 0.00 O ATOM 845 OD2 ASP A 54 7.978 20.329 -1.991 1.00 0.00 O ATOM 0 H ASP A 54 5.164 17.464 -1.864 1.00 0.00 H new ATOM 0 HA ASP A 54 5.430 19.346 -4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.275 17.308 -2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.864 18.531 -3.740 1.00 0.00 H new ATOM 850 N ASP A 55 5.537 16.194 -4.970 1.00 0.00 N ATOM 851 CA ASP A 55 5.308 15.294 -6.142 1.00 0.00 C ATOM 852 C ASP A 55 4.182 14.238 -5.789 1.00 0.00 C ATOM 853 O ASP A 55 3.990 13.849 -4.625 1.00 0.00 O ATOM 854 CB ASP A 55 6.688 14.690 -6.550 1.00 0.00 C ATOM 855 CG ASP A 55 6.725 13.731 -7.739 1.00 0.00 C ATOM 856 OD1 ASP A 55 5.991 13.956 -8.723 1.00 0.00 O ATOM 857 OD2 ASP A 55 7.507 12.752 -7.689 1.00 0.00 O ATOM 0 H ASP A 55 5.545 15.692 -4.082 1.00 0.00 H new ATOM 0 HA ASP A 55 4.926 15.823 -7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.364 15.517 -6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.093 14.165 -5.684 1.00 0.00 H new ATOM 862 N LEU A 56 3.422 13.772 -6.798 1.00 0.00 N ATOM 863 CA LEU A 56 2.424 12.671 -6.615 1.00 0.00 C ATOM 864 C LEU A 56 3.016 11.280 -7.071 1.00 0.00 C ATOM 865 O LEU A 56 3.422 11.181 -8.234 1.00 0.00 O ATOM 866 CB LEU A 56 1.077 12.941 -7.361 1.00 0.00 C ATOM 867 CG LEU A 56 0.162 14.147 -6.995 1.00 0.00 C ATOM 868 CD1 LEU A 56 0.125 14.510 -5.498 1.00 0.00 C ATOM 869 CD2 LEU A 56 0.499 15.389 -7.837 1.00 0.00 C ATOM 0 H LEU A 56 3.471 14.132 -7.751 1.00 0.00 H new ATOM 0 HA LEU A 56 2.208 12.638 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.317 13.038 -8.420 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.471 12.041 -7.253 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.843 13.802 -7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.539 15.361 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.241 13.658 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.129 14.769 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.160 16.210 -7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.535 15.678 -7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.361 15.161 -8.894 1.00 0.00 H new ATOM 881 N PRO A 57 3.023 10.160 -6.272 1.00 0.00 N ATOM 882 CA PRO A 57 3.511 8.830 -6.765 1.00 0.00 C ATOM 883 C PRO A 57 2.956 8.195 -8.089 1.00 0.00 C ATOM 884 O PRO A 57 3.688 7.478 -8.773 1.00 0.00 O ATOM 885 CB PRO A 57 3.279 7.938 -5.531 1.00 0.00 C ATOM 886 CG PRO A 57 3.345 8.872 -4.320 1.00 0.00 C ATOM 887 CD PRO A 57 2.760 10.193 -4.820 1.00 0.00 C ATOM 0 HA PRO A 57 4.535 8.950 -7.119 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.312 7.438 -5.587 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.038 7.158 -5.465 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.771 8.476 -3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.370 8.999 -3.972 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.693 10.266 -4.607 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.239 11.049 -4.345 1.00 0.00 H new ATOM 895 N GLY A 58 1.687 8.448 -8.420 1.00 0.00 N ATOM 896 CA GLY A 58 1.123 8.163 -9.768 1.00 0.00 C ATOM 897 C GLY A 58 -0.138 9.004 -10.098 1.00 0.00 C ATOM 898 O GLY A 58 -0.449 10.014 -9.452 1.00 0.00 O ATOM 0 H GLY A 58 1.013 8.855 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.887 8.356 -10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.872 7.104 -9.832 1.00 0.00 H new ATOM 902 N SER A 59 -0.856 8.595 -11.146 1.00 0.00 N ATOM 903 CA SER A 59 -1.842 9.477 -11.844 1.00 0.00 C ATOM 904 C SER A 59 -3.249 9.745 -11.196 1.00 0.00 C ATOM 905 O SER A 59 -4.041 10.490 -11.771 1.00 0.00 O ATOM 906 CB SER A 59 -1.952 8.997 -13.318 1.00 0.00 C ATOM 907 OG SER A 59 -1.622 10.058 -14.219 1.00 0.00 O ATOM 0 H SER A 59 -0.785 7.659 -11.544 1.00 0.00 H new ATOM 0 HA SER A 59 -1.421 10.478 -11.748 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.283 8.152 -13.482 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.964 8.645 -13.517 1.00 0.00 H new ATOM 0 HG SER A 59 -0.825 9.813 -14.735 1.00 0.00 H new ATOM 913 N ALA A 60 -3.584 9.219 -10.001 1.00 0.00 N ATOM 914 CA ALA A 60 -4.707 9.750 -9.178 1.00 0.00 C ATOM 915 C ALA A 60 -4.445 9.566 -7.651 1.00 0.00 C ATOM 916 O ALA A 60 -4.455 8.445 -7.135 1.00 0.00 O ATOM 917 CB ALA A 60 -6.040 9.128 -9.628 1.00 0.00 C ATOM 0 H ALA A 60 -3.098 8.428 -9.578 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.774 10.826 -9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.851 9.525 -9.018 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.220 9.372 -10.675 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.994 8.045 -9.511 1.00 0.00 H new ATOM 923 N GLN A 61 -4.240 10.671 -6.916 1.00 0.00 N ATOM 924 CA GLN A 61 -3.938 10.636 -5.458 1.00 0.00 C ATOM 925 C GLN A 61 -5.223 10.419 -4.586 1.00 0.00 C ATOM 926 O GLN A 61 -5.972 11.356 -4.274 1.00 0.00 O ATOM 927 CB GLN A 61 -3.127 11.940 -5.187 1.00 0.00 C ATOM 928 CG GLN A 61 -2.734 12.247 -3.719 1.00 0.00 C ATOM 929 CD GLN A 61 -1.970 11.165 -2.963 1.00 0.00 C ATOM 930 OE1 GLN A 61 -2.549 10.333 -2.279 1.00 0.00 O ATOM 931 NE2 GLN A 61 -0.671 11.165 -3.021 1.00 0.00 N ATOM 0 H GLN A 61 -4.277 11.614 -7.304 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.339 9.775 -5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.212 11.896 -5.778 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.709 12.782 -5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.130 13.154 -3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.646 12.468 -3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.186 11.858 -3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.137 10.472 -2.497 1.00 0.00 H new ATOM 940 N ILE A 62 -5.478 9.153 -4.221 1.00 0.00 N ATOM 941 CA ILE A 62 -6.653 8.726 -3.415 1.00 0.00 C ATOM 942 C ILE A 62 -6.230 8.759 -1.904 1.00 0.00 C ATOM 943 O ILE A 62 -5.303 8.066 -1.483 1.00 0.00 O ATOM 944 CB ILE A 62 -7.228 7.335 -3.890 1.00 0.00 C ATOM 945 CG1 ILE A 62 -7.607 7.285 -5.402 1.00 0.00 C ATOM 946 CG2 ILE A 62 -8.468 6.938 -3.044 1.00 0.00 C ATOM 947 CD1 ILE A 62 -7.878 5.881 -5.991 1.00 0.00 C ATOM 0 H ILE A 62 -4.868 8.377 -4.478 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.487 9.413 -3.559 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.416 6.623 -3.742 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.496 7.897 -5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.801 7.747 -5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.850 5.976 -3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.183 6.862 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.243 7.697 -3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.132 5.972 -7.047 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.986 5.263 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.707 5.417 -5.458 1.00 0.00 H new ATOM 959 N VAL A 63 -6.913 9.569 -1.079 1.00 0.00 N ATOM 960 CA VAL A 63 -6.424 9.922 0.292 1.00 0.00 C ATOM 961 C VAL A 63 -7.544 9.761 1.386 1.00 0.00 C ATOM 962 O VAL A 63 -8.481 10.564 1.480 1.00 0.00 O ATOM 963 CB VAL A 63 -5.681 11.308 0.285 1.00 0.00 C ATOM 964 CG1 VAL A 63 -6.433 12.482 -0.382 1.00 0.00 C ATOM 965 CG2 VAL A 63 -5.211 11.750 1.693 1.00 0.00 C ATOM 0 H VAL A 63 -7.805 9.998 -1.324 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.668 9.196 0.592 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.820 11.093 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.823 13.384 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.630 12.241 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.377 12.650 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.706 12.713 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.074 11.841 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.522 11.008 2.096 1.00 0.00 H new ATOM 975 N MET A 64 -7.417 8.764 2.282 1.00 0.00 N ATOM 976 CA MET A 64 -8.349 8.565 3.431 1.00 0.00 C ATOM 977 C MET A 64 -8.279 9.691 4.526 1.00 0.00 C ATOM 978 O MET A 64 -7.218 10.011 5.076 1.00 0.00 O ATOM 979 CB MET A 64 -8.114 7.152 4.027 1.00 0.00 C ATOM 980 CG MET A 64 -8.937 6.020 3.382 1.00 0.00 C ATOM 981 SD MET A 64 -10.664 6.119 3.895 1.00 0.00 S ATOM 982 CE MET A 64 -11.260 4.585 3.172 1.00 0.00 C ATOM 0 H MET A 64 -6.671 8.070 2.239 1.00 0.00 H new ATOM 0 HA MET A 64 -9.366 8.641 3.046 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.056 6.908 3.934 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.342 7.183 5.093 1.00 0.00 H new ATOM 0 HG2 MET A 64 -8.870 6.088 2.296 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.522 5.053 3.667 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.786 4.801 2.242 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.415 3.927 2.967 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.941 4.095 3.868 1.00 0.00 H new ATOM 992 N SER A 65 -9.440 10.298 4.830 1.00 0.00 N ATOM 993 CA SER A 65 -9.551 11.472 5.747 1.00 0.00 C ATOM 994 C SER A 65 -10.904 11.465 6.540 1.00 0.00 C ATOM 995 O SER A 65 -11.985 11.252 5.985 1.00 0.00 O ATOM 996 CB SER A 65 -9.355 12.789 4.950 1.00 0.00 C ATOM 997 OG SER A 65 -10.348 12.935 3.940 1.00 0.00 O ATOM 0 H SER A 65 -10.337 9.995 4.451 1.00 0.00 H new ATOM 0 HA SER A 65 -8.758 11.402 6.492 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.398 13.639 5.631 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.365 12.797 4.494 1.00 0.00 H new ATOM 0 HG SER A 65 -10.201 13.774 3.455 1.00 0.00 H new ATOM 1088 N PHE A 71 -9.323 17.974 -1.503 1.00 0.00 N ATOM 1089 CA PHE A 71 -7.994 18.652 -1.568 1.00 0.00 C ATOM 1090 C PHE A 71 -7.835 19.390 -2.938 1.00 0.00 C ATOM 1091 O PHE A 71 -8.099 18.819 -4.000 1.00 0.00 O ATOM 1092 CB PHE A 71 -6.861 17.608 -1.342 1.00 0.00 C ATOM 1093 CG PHE A 71 -6.788 16.988 0.068 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -6.099 17.634 1.098 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -7.399 15.755 0.327 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -5.981 17.037 2.352 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -7.303 15.171 1.588 1.00 0.00 C ATOM 1098 CZ PHE A 71 -6.581 15.803 2.592 1.00 0.00 C ATOM 0 HA PHE A 71 -7.924 19.401 -0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.986 16.803 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.905 18.085 -1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.655 18.602 0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.948 15.253 -0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.426 17.530 3.136 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.790 14.227 1.785 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.484 15.337 3.561 1.00 0.00 H new ATOM 1108 N SER A 72 -7.380 20.657 -2.917 1.00 0.00 N ATOM 1109 CA SER A 72 -7.098 21.439 -4.160 1.00 0.00 C ATOM 1110 C SER A 72 -5.717 21.074 -4.798 1.00 0.00 C ATOM 1111 O SER A 72 -4.673 21.651 -4.481 1.00 0.00 O ATOM 1112 CB SER A 72 -7.242 22.947 -3.829 1.00 0.00 C ATOM 1113 OG SER A 72 -8.572 23.277 -3.416 1.00 0.00 O ATOM 0 H SER A 72 -7.196 21.172 -2.056 1.00 0.00 H new ATOM 0 HA SER A 72 -7.824 21.178 -4.929 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.540 23.214 -3.039 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.977 23.538 -4.705 1.00 0.00 H new ATOM 0 HG SER A 72 -8.624 24.235 -3.214 1.00 0.00 H new ATOM 1119 N VAL A 73 -5.755 20.061 -5.671 1.00 0.00 N ATOM 1120 CA VAL A 73 -4.569 19.539 -6.424 1.00 0.00 C ATOM 1121 C VAL A 73 -5.047 19.209 -7.902 1.00 0.00 C ATOM 1122 O VAL A 73 -6.225 19.376 -8.254 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.873 18.332 -5.660 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.399 18.106 -6.083 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -3.842 18.390 -4.109 1.00 0.00 C ATOM 0 H VAL A 73 -6.617 19.561 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.779 20.287 -6.487 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.536 17.522 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.984 17.268 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.356 17.887 -7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.819 19.005 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.338 17.504 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.304 19.282 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.862 18.424 -3.726 1.00 0.00 H new ATOM 1135 N ASP A 74 -4.158 18.715 -8.778 1.00 0.00 N ATOM 1136 CA ASP A 74 -4.468 18.405 -10.210 1.00 0.00 C ATOM 1137 C ASP A 74 -5.556 17.283 -10.413 1.00 0.00 C ATOM 1138 O ASP A 74 -6.644 17.551 -10.936 1.00 0.00 O ATOM 1139 CB ASP A 74 -3.104 18.114 -10.910 1.00 0.00 C ATOM 1140 CG ASP A 74 -2.189 19.329 -11.050 1.00 0.00 C ATOM 1141 OD1 ASP A 74 -1.546 19.701 -10.044 1.00 0.00 O ATOM 1142 OD2 ASP A 74 -2.140 19.933 -12.142 1.00 0.00 O ATOM 0 H ASP A 74 -3.191 18.513 -8.524 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.952 19.262 -10.679 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.579 17.343 -10.346 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.299 17.706 -11.902 1.00 0.00 H new ATOM 1147 N THR A 75 -5.297 16.045 -9.960 1.00 0.00 N ATOM 1148 CA THR A 75 -6.308 14.929 -9.964 1.00 0.00 C ATOM 1149 C THR A 75 -6.326 14.099 -8.627 1.00 0.00 C ATOM 1150 O THR A 75 -6.276 12.864 -8.597 1.00 0.00 O ATOM 1151 CB THR A 75 -6.206 14.101 -11.283 1.00 0.00 C ATOM 1152 OG1 THR A 75 -7.186 13.068 -11.321 1.00 0.00 O ATOM 1153 CG2 THR A 75 -4.857 13.418 -11.539 1.00 0.00 C ATOM 0 H THR A 75 -4.391 15.772 -9.579 1.00 0.00 H new ATOM 0 HA THR A 75 -7.307 15.365 -9.974 1.00 0.00 H new ATOM 0 HB THR A 75 -6.355 14.858 -12.053 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.159 12.560 -10.483 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.899 12.872 -12.481 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.072 14.172 -11.591 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.640 12.724 -10.727 1.00 0.00 H new ATOM 1161 N ALA A 76 -6.497 14.795 -7.490 1.00 0.00 N ATOM 1162 CA ALA A 76 -6.641 14.161 -6.158 1.00 0.00 C ATOM 1163 C ALA A 76 -8.129 13.937 -5.734 1.00 0.00 C ATOM 1164 O ALA A 76 -9.040 14.697 -6.089 1.00 0.00 O ATOM 1165 CB ALA A 76 -5.891 15.087 -5.186 1.00 0.00 C ATOM 0 H ALA A 76 -6.540 15.814 -7.463 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.224 13.154 -6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.954 14.682 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.845 15.157 -5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.342 16.079 -5.208 1.00 0.00 H new ATOM 1171 N HIS A 77 -8.391 12.866 -4.972 1.00 0.00 N ATOM 1172 CA HIS A 77 -9.752 12.543 -4.453 1.00 0.00 C ATOM 1173 C HIS A 77 -9.642 12.046 -2.973 1.00 0.00 C ATOM 1174 O HIS A 77 -8.827 11.168 -2.686 1.00 0.00 O ATOM 1175 CB HIS A 77 -10.400 11.445 -5.348 1.00 0.00 C ATOM 1176 CG HIS A 77 -10.925 11.871 -6.726 1.00 0.00 C ATOM 1177 ND1 HIS A 77 -12.272 11.844 -7.056 1.00 0.00 N ATOM 1178 CD2 HIS A 77 -10.160 12.134 -7.885 1.00 0.00 C ATOM 1179 CE1 HIS A 77 -12.216 12.069 -8.409 1.00 0.00 C ATOM 1180 NE2 HIS A 77 -10.994 12.276 -8.988 1.00 0.00 N ATOM 0 H HIS A 77 -7.677 12.194 -4.692 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.379 13.434 -4.479 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.663 10.656 -5.498 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -11.229 11.006 -4.794 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.083 12.213 -7.910 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.117 12.082 -9.004 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.760 12.478 -9.960 1.00 0.00 H new ATOM 1189 N ARG A 78 -10.465 12.546 -2.029 1.00 0.00 N ATOM 1190 CA ARG A 78 -10.524 11.958 -0.651 1.00 0.00 C ATOM 1191 C ARG A 78 -11.493 10.718 -0.538 1.00 0.00 C ATOM 1192 O ARG A 78 -12.485 10.624 -1.271 1.00 0.00 O ATOM 1193 CB ARG A 78 -10.691 13.109 0.404 1.00 0.00 C ATOM 1194 CG ARG A 78 -11.976 13.186 1.267 1.00 0.00 C ATOM 1195 CD ARG A 78 -13.285 13.390 0.481 1.00 0.00 C ATOM 1196 NE ARG A 78 -14.383 12.823 1.303 1.00 0.00 N ATOM 1197 CZ ARG A 78 -15.257 11.910 0.909 1.00 0.00 C ATOM 1198 NH1 ARG A 78 -15.335 11.417 -0.290 1.00 0.00 N ATOM 1199 NH2 ARG A 78 -16.077 11.438 1.786 1.00 0.00 N ATOM 0 H ARG A 78 -11.090 13.338 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.573 11.485 -0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.844 13.048 1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.602 14.055 -0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.060 12.267 1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.867 14.004 1.979 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.457 14.449 0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.234 12.893 -0.488 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.472 13.168 2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.690 11.732 -1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.042 10.714 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.039 11.770 2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.763 10.733 1.515 1.00 0.00 H new ATOM 1213 N ALA A 79 -11.203 9.810 0.410 1.00 0.00 N ATOM 1214 CA ALA A 79 -12.071 8.643 0.736 1.00 0.00 C ATOM 1215 C ALA A 79 -12.503 8.556 2.252 1.00 0.00 C ATOM 1216 O ALA A 79 -11.807 9.016 3.171 1.00 0.00 O ATOM 1217 CB ALA A 79 -11.301 7.399 0.248 1.00 0.00 C ATOM 0 H ALA A 79 -10.358 9.857 0.980 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.032 8.737 0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.886 6.503 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.128 7.476 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.344 7.337 0.766 1.00 0.00 H new ATOM 1223 N ALA A 80 -13.673 7.954 2.495 1.00 0.00 N ATOM 1224 CA ALA A 80 -14.248 7.664 3.840 1.00 0.00 C ATOM 1225 C ALA A 80 -14.298 6.150 4.238 1.00 0.00 C ATOM 1226 O ALA A 80 -13.962 5.815 5.376 1.00 0.00 O ATOM 1227 CB ALA A 80 -15.680 8.256 3.833 1.00 0.00 C ATOM 0 H ALA A 80 -14.280 7.638 1.738 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.594 8.111 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -16.154 8.073 4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -15.629 9.330 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.266 7.782 3.045 1.00 0.00 H new ATOM 1233 N SER A 81 -14.756 5.262 3.339 1.00 0.00 N ATOM 1234 CA SER A 81 -15.024 3.823 3.627 1.00 0.00 C ATOM 1235 C SER A 81 -14.508 2.863 2.482 1.00 0.00 C ATOM 1236 O SER A 81 -13.756 3.270 1.594 1.00 0.00 O ATOM 1237 CB SER A 81 -16.534 3.715 4.020 1.00 0.00 C ATOM 1238 OG SER A 81 -17.404 4.383 3.093 1.00 0.00 O ATOM 0 H SER A 81 -14.957 5.518 2.372 1.00 0.00 H new ATOM 0 HA SER A 81 -14.441 3.457 4.472 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.814 2.663 4.079 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.676 4.139 5.014 1.00 0.00 H new ATOM 0 HG SER A 81 -18.337 4.210 3.337 1.00 0.00 H new ATOM 1244 N VAL A 82 -14.833 1.555 2.536 1.00 0.00 N ATOM 1245 CA VAL A 82 -14.339 0.540 1.533 1.00 0.00 C ATOM 1246 C VAL A 82 -14.995 0.757 0.116 1.00 0.00 C ATOM 1247 O VAL A 82 -14.293 1.183 -0.800 1.00 0.00 O ATOM 1248 CB VAL A 82 -14.456 -0.901 2.153 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -14.174 -2.075 1.177 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -13.576 -1.140 3.407 1.00 0.00 C ATOM 0 H VAL A 82 -15.435 1.159 3.258 1.00 0.00 H new ATOM 0 HA VAL A 82 -13.278 0.678 1.326 1.00 0.00 H new ATOM 0 HB VAL A 82 -15.511 -0.908 2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -14.282 -3.022 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -14.883 -2.039 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.159 -1.990 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.722 -2.159 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.527 -0.992 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.859 -0.437 4.190 1.00 0.00 H new ATOM 1260 N GLU A 83 -16.315 0.530 -0.053 1.00 0.00 N ATOM 1261 CA GLU A 83 -17.227 1.365 -0.919 1.00 0.00 C ATOM 1262 C GLU A 83 -16.675 2.674 -1.607 1.00 0.00 C ATOM 1263 O GLU A 83 -16.367 2.636 -2.799 1.00 0.00 O ATOM 1264 CB GLU A 83 -18.598 1.577 -0.173 1.00 0.00 C ATOM 1265 CG GLU A 83 -18.557 1.819 1.370 1.00 0.00 C ATOM 1266 CD GLU A 83 -19.790 2.342 2.092 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -20.834 1.661 2.103 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -19.674 3.398 2.749 1.00 0.00 O ATOM 0 H GLU A 83 -16.799 -0.242 0.405 1.00 0.00 H new ATOM 0 HA GLU A 83 -17.350 0.761 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -19.101 2.428 -0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -19.219 0.701 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.284 0.874 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.745 2.519 1.567 1.00 0.00 H new ATOM 1275 N GLU A 84 -16.450 3.780 -0.865 1.00 0.00 N ATOM 1276 CA GLU A 84 -15.879 5.047 -1.429 1.00 0.00 C ATOM 1277 C GLU A 84 -14.607 4.953 -2.352 1.00 0.00 C ATOM 1278 O GLU A 84 -14.620 5.501 -3.451 1.00 0.00 O ATOM 1279 CB GLU A 84 -15.665 6.086 -0.287 1.00 0.00 C ATOM 1280 CG GLU A 84 -16.877 7.042 -0.034 1.00 0.00 C ATOM 1281 CD GLU A 84 -16.575 8.460 0.420 1.00 0.00 C ATOM 1282 OE1 GLU A 84 -15.407 8.806 0.641 1.00 0.00 O ATOM 1283 OE2 GLU A 84 -17.485 9.297 0.533 1.00 0.00 O ATOM 0 H GLU A 84 -16.653 3.832 0.133 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.643 5.369 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.444 5.550 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.788 6.689 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.456 7.101 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.518 6.579 0.716 1.00 0.00 H new ATOM 1290 N ALA A 85 -13.518 4.294 -1.908 1.00 0.00 N ATOM 1291 CA ALA A 85 -12.343 4.022 -2.794 1.00 0.00 C ATOM 1292 C ALA A 85 -12.421 2.797 -3.780 1.00 0.00 C ATOM 1293 O ALA A 85 -11.581 2.712 -4.689 1.00 0.00 O ATOM 1294 CB ALA A 85 -11.066 4.115 -1.935 1.00 0.00 C ATOM 0 H ALA A 85 -13.417 3.940 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.334 4.802 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.193 3.920 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.989 5.113 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.112 3.377 -1.134 1.00 0.00 H new ATOM 1300 N VAL A 86 -13.430 1.917 -3.699 1.00 0.00 N ATOM 1301 CA VAL A 86 -13.816 0.993 -4.810 1.00 0.00 C ATOM 1302 C VAL A 86 -14.535 1.748 -5.983 1.00 0.00 C ATOM 1303 O VAL A 86 -14.077 1.643 -7.123 1.00 0.00 O ATOM 1304 CB VAL A 86 -14.595 -0.250 -4.250 1.00 0.00 C ATOM 1305 CG1 VAL A 86 -15.159 -1.201 -5.336 1.00 0.00 C ATOM 1306 CG2 VAL A 86 -13.715 -1.119 -3.318 1.00 0.00 C ATOM 0 H VAL A 86 -14.010 1.815 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.911 0.594 -5.268 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.426 0.204 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.681 -2.030 -4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.854 -0.654 -5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.340 -1.589 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.296 -1.967 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.849 -1.483 -3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.380 -0.520 -2.471 1.00 0.00 H new ATOM 1316 N ASP A 87 -15.614 2.511 -5.731 1.00 0.00 N ATOM 1317 CA ASP A 87 -16.386 3.222 -6.795 1.00 0.00 C ATOM 1318 C ASP A 87 -15.579 4.264 -7.658 1.00 0.00 C ATOM 1319 O ASP A 87 -15.741 4.307 -8.884 1.00 0.00 O ATOM 1320 CB ASP A 87 -17.682 3.798 -6.150 1.00 0.00 C ATOM 1321 CG ASP A 87 -18.784 2.770 -5.871 1.00 0.00 C ATOM 1322 OD1 ASP A 87 -18.665 1.989 -4.904 1.00 0.00 O ATOM 1323 OD2 ASP A 87 -19.787 2.751 -6.616 1.00 0.00 O ATOM 0 H ASP A 87 -15.983 2.659 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.646 2.489 -7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.416 4.286 -5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.084 4.569 -6.807 1.00 0.00 H new ATOM 1328 N ILE A 88 -14.653 5.073 -7.088 1.00 0.00 N ATOM 1329 CA ILE A 88 -13.618 5.818 -7.879 1.00 0.00 C ATOM 1330 C ILE A 88 -12.534 4.942 -8.606 1.00 0.00 C ATOM 1331 O ILE A 88 -12.195 5.293 -9.727 1.00 0.00 O ATOM 1332 CB ILE A 88 -12.949 7.038 -7.125 1.00 0.00 C ATOM 1333 CG1 ILE A 88 -12.673 6.795 -5.619 1.00 0.00 C ATOM 1334 CG2 ILE A 88 -13.764 8.338 -7.328 1.00 0.00 C ATOM 1335 CD1 ILE A 88 -11.492 7.561 -5.008 1.00 0.00 C ATOM 0 H ILE A 88 -14.594 5.233 -6.082 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.238 6.233 -8.673 1.00 0.00 H new ATOM 0 HB ILE A 88 -11.968 7.150 -7.588 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.573 7.054 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.502 5.729 -5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.279 9.158 -6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.815 8.573 -8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -14.772 8.200 -6.938 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.401 7.307 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.573 7.288 -5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.661 8.633 -5.111 1.00 0.00 H new ATOM 1347 N ALA A 89 -12.011 3.827 -8.055 1.00 0.00 N ATOM 1348 CA ALA A 89 -11.226 2.844 -8.862 1.00 0.00 C ATOM 1349 C ALA A 89 -11.961 2.149 -10.078 1.00 0.00 C ATOM 1350 O ALA A 89 -11.355 1.959 -11.130 1.00 0.00 O ATOM 1351 CB ALA A 89 -10.623 1.840 -7.858 1.00 0.00 C ATOM 0 H ALA A 89 -12.110 3.579 -7.071 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.459 3.398 -9.403 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.036 1.095 -8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.980 2.370 -7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.426 1.344 -7.312 1.00 0.00 H new ATOM 1357 N ALA A 90 -13.263 1.829 -9.958 1.00 0.00 N ATOM 1358 CA ALA A 90 -14.133 1.469 -11.114 1.00 0.00 C ATOM 1359 C ALA A 90 -14.477 2.631 -12.129 1.00 0.00 C ATOM 1360 O ALA A 90 -14.504 2.396 -13.338 1.00 0.00 O ATOM 1361 CB ALA A 90 -15.388 0.806 -10.505 1.00 0.00 C ATOM 0 H ALA A 90 -13.749 1.810 -9.062 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.581 0.792 -11.766 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.071 0.517 -11.304 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.094 -0.079 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.886 1.512 -9.840 1.00 0.00 H new ATOM 1367 N SER A 91 -14.727 3.866 -11.664 1.00 0.00 N ATOM 1368 CA SER A 91 -14.857 5.074 -12.543 1.00 0.00 C ATOM 1369 C SER A 91 -13.550 5.621 -13.220 1.00 0.00 C ATOM 1370 O SER A 91 -13.620 6.204 -14.310 1.00 0.00 O ATOM 1371 CB SER A 91 -15.609 6.149 -11.717 1.00 0.00 C ATOM 1372 OG SER A 91 -15.944 7.294 -12.508 1.00 0.00 O ATOM 0 H SER A 91 -14.847 4.071 -10.672 1.00 0.00 H new ATOM 0 HA SER A 91 -15.416 4.770 -13.428 1.00 0.00 H new ATOM 0 HB2 SER A 91 -16.519 5.716 -11.301 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.990 6.458 -10.875 1.00 0.00 H new ATOM 0 HG SER A 91 -16.418 7.948 -11.953 1.00 0.00 H new ATOM 1378 N LEU A 92 -12.370 5.436 -12.617 1.00 0.00 N ATOM 1379 CA LEU A 92 -11.038 5.634 -13.278 1.00 0.00 C ATOM 1380 C LEU A 92 -10.521 4.465 -14.222 1.00 0.00 C ATOM 1381 O LEU A 92 -9.623 4.704 -15.032 1.00 0.00 O ATOM 1382 CB LEU A 92 -10.039 5.967 -12.127 1.00 0.00 C ATOM 1383 CG LEU A 92 -10.199 7.359 -11.427 1.00 0.00 C ATOM 1384 CD1 LEU A 92 -9.497 7.374 -10.051 1.00 0.00 C ATOM 1385 CD2 LEU A 92 -9.596 8.485 -12.283 1.00 0.00 C ATOM 0 H LEU A 92 -12.293 5.141 -11.644 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.134 6.444 -14.001 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.129 5.192 -11.365 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.027 5.904 -12.528 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.269 7.524 -11.300 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.624 8.353 -9.588 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.936 6.609 -9.410 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.434 7.171 -10.182 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.722 9.439 -11.771 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.534 8.295 -12.439 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.103 8.521 -13.247 1.00 0.00 H new ATOM 1397 N ASP A 93 -11.080 3.237 -14.116 1.00 0.00 N ATOM 1398 CA ASP A 93 -10.797 2.060 -14.991 1.00 0.00 C ATOM 1399 C ASP A 93 -9.497 1.272 -14.611 1.00 0.00 C ATOM 1400 O ASP A 93 -9.612 0.231 -13.964 1.00 0.00 O ATOM 1401 CB ASP A 93 -11.069 2.330 -16.503 1.00 0.00 C ATOM 1402 CG ASP A 93 -11.546 1.133 -17.333 1.00 0.00 C ATOM 1403 OD1 ASP A 93 -12.256 0.252 -16.802 1.00 0.00 O ATOM 1404 OD2 ASP A 93 -11.243 1.088 -18.542 1.00 0.00 O ATOM 0 H ASP A 93 -11.768 3.024 -13.393 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.557 1.313 -14.761 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.817 3.119 -16.580 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.153 2.714 -16.952 1.00 0.00 H new ATOM 1409 N ALA A 94 -8.289 1.793 -14.944 1.00 0.00 N ATOM 1410 CA ALA A 94 -6.974 1.475 -14.275 1.00 0.00 C ATOM 1411 C ALA A 94 -6.555 -0.025 -14.035 1.00 0.00 C ATOM 1412 O ALA A 94 -7.298 -0.720 -13.351 1.00 0.00 O ATOM 1413 CB ALA A 94 -6.969 2.246 -12.934 1.00 0.00 C ATOM 0 H ALA A 94 -8.186 2.465 -15.704 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.218 1.780 -14.998 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.036 2.051 -12.406 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.060 3.315 -13.128 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.808 1.916 -12.322 1.00 0.00 H new ATOM 1419 N GLU A 95 -5.385 -0.549 -14.478 1.00 0.00 N ATOM 1420 CA GLU A 95 -5.026 -2.011 -14.310 1.00 0.00 C ATOM 1421 C GLU A 95 -5.335 -2.645 -12.885 1.00 0.00 C ATOM 1422 O GLU A 95 -6.320 -3.388 -12.720 1.00 0.00 O ATOM 1423 CB GLU A 95 -3.545 -2.276 -14.733 1.00 0.00 C ATOM 1424 CG GLU A 95 -3.113 -2.117 -16.219 1.00 0.00 C ATOM 1425 CD GLU A 95 -1.865 -2.899 -16.651 1.00 0.00 C ATOM 1426 OE1 GLU A 95 -1.003 -3.243 -15.810 1.00 0.00 O ATOM 1427 OE2 GLU A 95 -1.753 -3.187 -17.860 1.00 0.00 O ATOM 0 H GLU A 95 -4.668 0.000 -14.953 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.704 -2.532 -14.986 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.916 -1.611 -14.141 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.301 -3.295 -14.433 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.945 -2.424 -16.852 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.938 -1.059 -16.413 1.00 0.00 H new ATOM 1434 N THR A 96 -4.580 -2.234 -11.850 1.00 0.00 N ATOM 1435 CA THR A 96 -4.878 -2.537 -10.417 1.00 0.00 C ATOM 1436 C THR A 96 -4.585 -1.282 -9.514 1.00 0.00 C ATOM 1437 O THR A 96 -3.473 -0.748 -9.529 1.00 0.00 O ATOM 1438 CB THR A 96 -4.158 -3.860 -9.970 1.00 0.00 C ATOM 1439 OG1 THR A 96 -4.765 -4.446 -8.819 1.00 0.00 O ATOM 1440 CG2 THR A 96 -2.665 -3.752 -9.616 1.00 0.00 C ATOM 0 H THR A 96 -3.735 -1.676 -11.974 1.00 0.00 H new ATOM 0 HA THR A 96 -5.942 -2.736 -10.290 1.00 0.00 H new ATOM 0 HB THR A 96 -4.262 -4.462 -10.873 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.351 -3.789 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.288 -4.732 -9.324 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.110 -3.394 -10.483 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.537 -3.053 -8.789 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.554 -0.828 -8.697 1.00 0.00 N ATOM 1449 CA ALA A 97 -5.318 0.239 -7.681 1.00 0.00 C ATOM 1450 C ALA A 97 -4.623 -0.288 -6.376 1.00 0.00 C ATOM 1451 O ALA A 97 -4.806 -1.442 -5.970 1.00 0.00 O ATOM 1452 CB ALA A 97 -6.697 0.866 -7.399 1.00 0.00 C ATOM 0 H ALA A 97 -6.512 -1.178 -8.714 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.616 0.980 -8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.592 1.659 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.103 1.282 -8.321 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.373 0.101 -7.018 1.00 0.00 H new ATOM 1458 N TYR A 98 -3.805 0.548 -5.718 1.00 0.00 N ATOM 1459 CA TYR A 98 -2.783 0.058 -4.736 1.00 0.00 C ATOM 1460 C TYR A 98 -2.839 0.801 -3.359 1.00 0.00 C ATOM 1461 O TYR A 98 -2.596 2.012 -3.290 1.00 0.00 O ATOM 1462 CB TYR A 98 -1.331 0.053 -5.335 1.00 0.00 C ATOM 1463 CG TYR A 98 -1.012 0.636 -6.726 1.00 0.00 C ATOM 1464 CD1 TYR A 98 -0.953 2.021 -6.910 1.00 0.00 C ATOM 1465 CD2 TYR A 98 -0.810 -0.207 -7.820 1.00 0.00 C ATOM 1466 CE1 TYR A 98 -0.712 2.554 -8.175 1.00 0.00 C ATOM 1467 CE2 TYR A 98 -0.541 0.327 -9.081 1.00 0.00 C ATOM 1468 CZ TYR A 98 -0.500 1.706 -9.256 1.00 0.00 C ATOM 1469 OH TYR A 98 -0.153 2.229 -10.469 1.00 0.00 O ATOM 0 H TYR A 98 -3.818 1.561 -5.836 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.052 -0.978 -4.533 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.697 0.580 -4.622 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.002 -0.986 -5.348 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.095 2.681 -6.067 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.862 -1.278 -7.690 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.690 3.625 -8.315 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.365 -0.330 -9.920 1.00 0.00 H new ATOM 0 HH TYR A 98 0.730 1.893 -10.729 1.00 0.00 H new ATOM 1479 N VAL A 99 -3.090 0.071 -2.255 1.00 0.00 N ATOM 1480 CA VAL A 99 -3.084 0.630 -0.864 1.00 0.00 C ATOM 1481 C VAL A 99 -1.647 0.636 -0.267 1.00 0.00 C ATOM 1482 O VAL A 99 -1.083 -0.421 0.025 1.00 0.00 O ATOM 1483 CB VAL A 99 -4.119 -0.126 0.046 1.00 0.00 C ATOM 1484 CG1 VAL A 99 -4.101 0.229 1.557 1.00 0.00 C ATOM 1485 CG2 VAL A 99 -5.565 0.133 -0.431 1.00 0.00 C ATOM 0 H VAL A 99 -3.304 -0.926 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.404 1.671 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.804 -1.165 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.859 -0.357 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.119 0.003 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.313 1.291 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.262 -0.401 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.776 1.201 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.678 -0.219 -1.457 1.00 0.00 H new ATOM 1495 N ILE A 100 -1.095 1.829 -0.012 1.00 0.00 N ATOM 1496 CA ILE A 100 0.213 1.992 0.704 1.00 0.00 C ATOM 1497 C ILE A 100 0.140 1.610 2.231 1.00 0.00 C ATOM 1498 O ILE A 100 0.942 0.824 2.746 1.00 0.00 O ATOM 1499 CB ILE A 100 0.767 3.459 0.521 1.00 0.00 C ATOM 1500 CG1 ILE A 100 0.812 4.065 -0.914 1.00 0.00 C ATOM 1501 CG2 ILE A 100 2.155 3.691 1.173 1.00 0.00 C ATOM 1502 CD1 ILE A 100 1.590 3.285 -1.987 1.00 0.00 C ATOM 0 H ILE A 100 -1.525 2.712 -0.286 1.00 0.00 H new ATOM 0 HA ILE A 100 0.906 1.286 0.245 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.021 3.996 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.214 4.184 -1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.243 5.064 -0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.468 4.721 1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.090 3.502 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.884 3.013 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.538 3.820 -2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.632 3.187 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.152 2.294 -2.106 1.00 0.00 H new ATOM 1514 N GLY A 101 -0.763 2.274 2.972 1.00 0.00 N ATOM 1515 CA GLY A 101 -0.615 2.479 4.435 1.00 0.00 C ATOM 1516 C GLY A 101 -1.168 3.845 4.976 1.00 0.00 C ATOM 1517 O GLY A 101 -1.577 4.735 4.231 1.00 0.00 O ATOM 0 H GLY A 101 -1.613 2.684 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.126 1.667 4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.442 2.406 4.691 1.00 0.00 H new ATOM 1521 N GLY A 102 -1.174 4.152 6.275 1.00 0.00 N ATOM 1522 CA GLY A 102 -0.576 3.296 7.345 1.00 0.00 C ATOM 1523 C GLY A 102 -1.547 2.296 8.008 1.00 0.00 C ATOM 1524 O GLY A 102 -2.537 1.879 7.405 1.00 0.00 O ATOM 0 H GLY A 102 -1.595 5.008 6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.258 2.739 6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.164 3.944 8.118 1.00 0.00 H new ATOM 1528 N ALA A 103 -1.252 1.888 9.252 1.00 0.00 N ATOM 1529 CA ALA A 103 -1.989 0.778 9.930 1.00 0.00 C ATOM 1530 C ALA A 103 -3.552 0.855 10.010 1.00 0.00 C ATOM 1531 O ALA A 103 -4.213 -0.101 9.609 1.00 0.00 O ATOM 1532 CB ALA A 103 -1.364 0.549 11.311 1.00 0.00 C ATOM 0 H ALA A 103 -0.512 2.301 9.819 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.860 -0.077 9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.891 -0.259 11.819 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.314 0.281 11.195 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.442 1.462 11.902 1.00 0.00 H new ATOM 1538 N ALA A 104 -4.163 1.980 10.440 1.00 0.00 N ATOM 1539 CA ALA A 104 -5.634 2.202 10.295 1.00 0.00 C ATOM 1540 C ALA A 104 -6.265 2.222 8.849 1.00 0.00 C ATOM 1541 O ALA A 104 -7.474 2.001 8.710 1.00 0.00 O ATOM 1542 CB ALA A 104 -5.936 3.501 11.070 1.00 0.00 C ATOM 0 H ALA A 104 -3.670 2.751 10.890 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.123 1.313 10.694 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.001 3.724 11.005 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.655 3.375 12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.366 4.323 10.638 1.00 0.00 H new ATOM 1548 N ILE A 105 -5.475 2.481 7.792 1.00 0.00 N ATOM 1549 CA ILE A 105 -5.904 2.324 6.358 1.00 0.00 C ATOM 1550 C ILE A 105 -5.808 0.828 5.869 1.00 0.00 C ATOM 1551 O ILE A 105 -6.784 0.278 5.357 1.00 0.00 O ATOM 1552 CB ILE A 105 -5.148 3.344 5.424 1.00 0.00 C ATOM 1553 CG1 ILE A 105 -5.092 4.828 5.904 1.00 0.00 C ATOM 1554 CG2 ILE A 105 -5.648 3.305 3.951 1.00 0.00 C ATOM 1555 CD1 ILE A 105 -6.401 5.437 6.452 1.00 0.00 C ATOM 0 H ILE A 105 -4.514 2.807 7.890 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.962 2.577 6.294 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.125 2.972 5.486 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.331 4.904 6.681 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.756 5.442 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.089 4.029 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.496 2.306 3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.709 3.552 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.225 6.470 6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.168 5.408 5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.736 4.862 7.316 1.00 0.00 H new ATOM 1567 N TYR A 106 -4.642 0.180 6.054 1.00 0.00 N ATOM 1568 CA TYR A 106 -4.457 -1.295 5.881 1.00 0.00 C ATOM 1569 C TYR A 106 -5.492 -2.201 6.651 1.00 0.00 C ATOM 1570 O TYR A 106 -6.076 -3.095 6.044 1.00 0.00 O ATOM 1571 CB TYR A 106 -2.966 -1.591 6.249 1.00 0.00 C ATOM 1572 CG TYR A 106 -2.174 -2.475 5.271 1.00 0.00 C ATOM 1573 CD1 TYR A 106 -1.536 -1.910 4.156 1.00 0.00 C ATOM 1574 CD2 TYR A 106 -1.964 -3.826 5.566 1.00 0.00 C ATOM 1575 CE1 TYR A 106 -0.693 -2.686 3.358 1.00 0.00 C ATOM 1576 CE2 TYR A 106 -1.119 -4.598 4.772 1.00 0.00 C ATOM 1577 CZ TYR A 106 -0.483 -4.028 3.673 1.00 0.00 C ATOM 1578 OH TYR A 106 0.359 -4.797 2.913 1.00 0.00 O ATOM 0 H TYR A 106 -3.786 0.660 6.331 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.670 -1.568 4.847 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.444 -0.639 6.346 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.946 -2.066 7.230 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.698 -0.870 3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -2.460 -4.273 6.415 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.205 -2.248 2.500 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.957 -5.639 5.009 1.00 0.00 H new ATOM 0 HH TYR A 106 0.388 -5.707 3.276 1.00 0.00 H new ATOM 1588 N ALA A 107 -5.792 -1.938 7.943 1.00 0.00 N ATOM 1589 CA ALA A 107 -6.851 -2.643 8.722 1.00 0.00 C ATOM 1590 C ALA A 107 -8.290 -2.703 8.108 1.00 0.00 C ATOM 1591 O ALA A 107 -8.842 -3.794 7.945 1.00 0.00 O ATOM 1592 CB ALA A 107 -6.855 -1.989 10.118 1.00 0.00 C ATOM 0 H ALA A 107 -5.305 -1.225 8.485 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.590 -3.701 8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.614 -2.464 10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -5.876 -2.114 10.581 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.078 -0.926 10.021 1.00 0.00 H new ATOM 1598 N LEU A 108 -8.893 -1.558 7.728 1.00 0.00 N ATOM 1599 CA LEU A 108 -10.186 -1.551 6.978 1.00 0.00 C ATOM 1600 C LEU A 108 -10.172 -2.188 5.543 1.00 0.00 C ATOM 1601 O LEU A 108 -11.181 -2.783 5.145 1.00 0.00 O ATOM 1602 CB LEU A 108 -10.840 -0.135 7.063 1.00 0.00 C ATOM 1603 CG LEU A 108 -10.218 1.055 6.273 1.00 0.00 C ATOM 1604 CD1 LEU A 108 -10.738 1.167 4.829 1.00 0.00 C ATOM 1605 CD2 LEU A 108 -10.530 2.387 6.968 1.00 0.00 C ATOM 0 H LEU A 108 -8.517 -0.630 7.921 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.837 -2.260 7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.875 -0.235 6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.863 0.150 8.115 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.147 0.853 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.264 2.016 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.500 0.253 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.818 1.311 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.087 3.206 6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.610 2.525 7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.115 2.377 7.976 1.00 0.00 H new ATOM 1617 N PHE A 109 -9.070 -2.060 4.785 1.00 0.00 N ATOM 1618 CA PHE A 109 -8.941 -2.640 3.426 1.00 0.00 C ATOM 1619 C PHE A 109 -8.502 -4.133 3.306 1.00 0.00 C ATOM 1620 O PHE A 109 -9.032 -4.803 2.422 1.00 0.00 O ATOM 1621 CB PHE A 109 -8.082 -1.668 2.564 1.00 0.00 C ATOM 1622 CG PHE A 109 -8.879 -0.599 1.793 1.00 0.00 C ATOM 1623 CD1 PHE A 109 -9.900 -0.987 0.913 1.00 0.00 C ATOM 1624 CD2 PHE A 109 -8.604 0.764 1.943 1.00 0.00 C ATOM 1625 CE1 PHE A 109 -10.683 -0.046 0.274 1.00 0.00 C ATOM 1626 CE2 PHE A 109 -9.384 1.712 1.291 1.00 0.00 C ATOM 1627 CZ PHE A 109 -10.436 1.305 0.476 1.00 0.00 C ATOM 0 H PHE A 109 -8.240 -1.552 5.092 1.00 0.00 H new ATOM 0 HA PHE A 109 -9.956 -2.720 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -7.366 -1.166 3.215 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.505 -2.255 1.849 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -10.076 -2.037 0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -7.782 1.081 2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.484 -0.360 -0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -9.174 2.764 1.417 1.00 0.00 H new ATOM 0 HZ PHE A 109 -11.063 2.043 -0.001 1.00 0.00 H new ATOM 1637 N GLN A 110 -7.597 -4.683 4.136 1.00 0.00 N ATOM 1638 CA GLN A 110 -7.151 -6.109 4.021 1.00 0.00 C ATOM 1639 C GLN A 110 -8.260 -7.248 3.913 1.00 0.00 C ATOM 1640 O GLN A 110 -8.072 -8.109 3.047 1.00 0.00 O ATOM 1641 CB GLN A 110 -5.950 -6.366 4.975 1.00 0.00 C ATOM 1642 CG GLN A 110 -6.225 -6.387 6.500 1.00 0.00 C ATOM 1643 CD GLN A 110 -5.016 -6.389 7.437 1.00 0.00 C ATOM 1644 OE1 GLN A 110 -3.845 -6.355 7.076 1.00 0.00 O ATOM 1645 NE2 GLN A 110 -5.287 -6.411 8.714 1.00 0.00 N ATOM 0 H GLN A 110 -7.152 -4.172 4.898 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.788 -6.226 3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.506 -7.323 4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.200 -5.600 4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -6.837 -5.519 6.743 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -6.823 -7.271 6.721 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -6.257 -6.439 9.029 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -4.529 -6.400 9.396 1.00 0.00 H new ATOM 1654 N PRO A 111 -9.470 -7.251 4.568 1.00 0.00 N ATOM 1655 CA PRO A 111 -10.605 -8.144 4.162 1.00 0.00 C ATOM 1656 C PRO A 111 -11.325 -7.907 2.771 1.00 0.00 C ATOM 1657 O PRO A 111 -12.269 -8.629 2.436 1.00 0.00 O ATOM 1658 CB PRO A 111 -11.559 -8.003 5.370 1.00 0.00 C ATOM 1659 CG PRO A 111 -10.715 -7.434 6.515 1.00 0.00 C ATOM 1660 CD PRO A 111 -9.749 -6.496 5.807 1.00 0.00 C ATOM 0 HA PRO A 111 -10.228 -9.145 3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -12.392 -7.341 5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.987 -8.968 5.643 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.330 -6.904 7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -10.188 -8.220 7.056 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -10.195 -5.523 5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.847 -6.317 6.392 1.00 0.00 H new ATOM 1668 N HIS A 112 -10.887 -6.941 1.952 1.00 0.00 N ATOM 1669 CA HIS A 112 -11.380 -6.699 0.558 1.00 0.00 C ATOM 1670 C HIS A 112 -10.265 -6.455 -0.540 1.00 0.00 C ATOM 1671 O HIS A 112 -10.614 -6.061 -1.655 1.00 0.00 O ATOM 1672 CB HIS A 112 -12.363 -5.489 0.682 1.00 0.00 C ATOM 1673 CG HIS A 112 -13.404 -5.360 -0.435 1.00 0.00 C ATOM 1674 ND1 HIS A 112 -14.675 -5.904 -0.354 1.00 0.00 N ATOM 1675 CD2 HIS A 112 -13.235 -4.730 -1.686 1.00 0.00 C ATOM 1676 CE1 HIS A 112 -15.170 -5.588 -1.595 1.00 0.00 C ATOM 1677 NE2 HIS A 112 -14.379 -4.880 -2.459 1.00 0.00 N ATOM 0 H HIS A 112 -10.162 -6.281 2.233 1.00 0.00 H new ATOM 0 HA HIS A 112 -11.858 -7.604 0.184 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -12.887 -5.567 1.635 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.777 -4.571 0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.344 -4.206 -1.998 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -16.165 -5.892 -1.884 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -14.575 -4.554 -3.405 1.00 0.00 H new ATOM 1686 N LEU A 113 -8.964 -6.637 -0.280 1.00 0.00 N ATOM 1687 CA LEU A 113 -7.895 -6.512 -1.317 1.00 0.00 C ATOM 1688 C LEU A 113 -7.468 -7.926 -1.751 1.00 0.00 C ATOM 1689 O LEU A 113 -6.878 -8.668 -0.962 1.00 0.00 O ATOM 1690 CB LEU A 113 -6.697 -5.713 -0.737 1.00 0.00 C ATOM 1691 CG LEU A 113 -6.728 -4.167 -0.846 1.00 0.00 C ATOM 1692 CD1 LEU A 113 -8.096 -3.504 -0.652 1.00 0.00 C ATOM 1693 CD2 LEU A 113 -5.748 -3.593 0.176 1.00 0.00 C ATOM 0 H LEU A 113 -8.609 -6.874 0.646 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.265 -5.971 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.604 -5.971 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.791 -6.064 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.453 -3.942 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -7.994 -2.423 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -8.790 -3.873 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -8.479 -3.744 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.755 -2.505 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.045 -3.902 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.744 -3.962 -0.035 1.00 0.00 H new ATOM 1705 N ASP A 114 -7.789 -8.309 -2.988 1.00 0.00 N ATOM 1706 CA ASP A 114 -7.632 -9.723 -3.422 1.00 0.00 C ATOM 1707 C ASP A 114 -6.198 -10.142 -3.953 1.00 0.00 C ATOM 1708 O ASP A 114 -5.971 -11.321 -4.216 1.00 0.00 O ATOM 1709 CB ASP A 114 -8.895 -10.114 -4.251 1.00 0.00 C ATOM 1710 CG ASP A 114 -10.271 -10.033 -3.540 1.00 0.00 C ATOM 1711 OD1 ASP A 114 -10.629 -8.981 -2.959 1.00 0.00 O ATOM 1712 OD2 ASP A 114 -10.985 -11.056 -3.497 1.00 0.00 O ATOM 0 H ASP A 114 -8.154 -7.682 -3.705 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.616 -10.382 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.932 -9.471 -5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.760 -11.135 -4.608 1.00 0.00 H new ATOM 1717 N ARG A 115 -5.195 -9.231 -3.996 1.00 0.00 N ATOM 1718 CA ARG A 115 -3.743 -9.596 -4.014 1.00 0.00 C ATOM 1719 C ARG A 115 -2.921 -8.832 -2.884 1.00 0.00 C ATOM 1720 O ARG A 115 -3.368 -7.817 -2.333 1.00 0.00 O ATOM 1721 CB ARG A 115 -3.126 -9.360 -5.432 1.00 0.00 C ATOM 1722 CG ARG A 115 -3.795 -9.956 -6.704 1.00 0.00 C ATOM 1723 CD ARG A 115 -4.876 -9.047 -7.324 1.00 0.00 C ATOM 1724 NE ARG A 115 -5.244 -9.524 -8.679 1.00 0.00 N ATOM 1725 CZ ARG A 115 -4.705 -9.111 -9.811 1.00 0.00 C ATOM 1726 NH1 ARG A 115 -3.689 -8.307 -9.909 1.00 0.00 N ATOM 1727 NH2 ARG A 115 -5.237 -9.514 -10.891 1.00 0.00 N ATOM 0 H ARG A 115 -5.361 -8.225 -4.019 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.671 -10.660 -3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.065 -8.282 -5.579 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -2.103 -9.736 -5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -3.025 -10.150 -7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.243 -10.917 -6.451 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.759 -9.034 -6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.509 -8.022 -7.380 1.00 0.00 H new ATOM 0 HE ARG A 115 -5.976 -10.232 -8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -3.243 -7.943 -9.067 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -3.337 -8.040 -10.828 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -6.048 -10.132 -10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -4.853 -9.220 -11.789 1.00 0.00 H new ATOM 1741 N MET A 116 -1.686 -9.270 -2.556 1.00 0.00 N ATOM 1742 CA MET A 116 -0.762 -8.542 -1.612 1.00 0.00 C ATOM 1743 C MET A 116 0.687 -8.423 -2.196 1.00 0.00 C ATOM 1744 O MET A 116 1.170 -9.374 -2.812 1.00 0.00 O ATOM 1745 CB MET A 116 -0.737 -9.239 -0.214 1.00 0.00 C ATOM 1746 CG MET A 116 -0.843 -8.300 1.004 1.00 0.00 C ATOM 1747 SD MET A 116 0.553 -8.517 2.122 1.00 0.00 S ATOM 1748 CE MET A 116 -0.184 -9.440 3.478 1.00 0.00 C ATOM 0 H MET A 116 -1.288 -10.132 -2.928 1.00 0.00 H new ATOM 0 HA MET A 116 -1.151 -7.531 -1.489 1.00 0.00 H new ATOM 0 HB2 MET A 116 -1.558 -9.954 -0.171 1.00 0.00 H new ATOM 0 HB3 MET A 116 0.188 -9.810 -0.130 1.00 0.00 H new ATOM 0 HG2 MET A 116 -0.883 -7.265 0.665 1.00 0.00 H new ATOM 0 HG3 MET A 116 -1.773 -8.497 1.538 1.00 0.00 H new ATOM 0 HE1 MET A 116 0.573 -9.639 4.237 1.00 0.00 H new ATOM 0 HE2 MET A 116 -0.994 -8.857 3.917 1.00 0.00 H new ATOM 0 HE3 MET A 116 -0.579 -10.384 3.103 1.00 0.00 H new ATOM 1758 N VAL A 117 1.398 -7.287 -2.031 1.00 0.00 N ATOM 1759 CA VAL A 117 2.745 -7.063 -2.663 1.00 0.00 C ATOM 1760 C VAL A 117 3.694 -6.245 -1.728 1.00 0.00 C ATOM 1761 O VAL A 117 3.857 -5.031 -1.892 1.00 0.00 O ATOM 1762 CB VAL A 117 2.636 -6.455 -4.112 1.00 0.00 C ATOM 1763 CG1 VAL A 117 1.811 -7.327 -5.065 1.00 0.00 C ATOM 1764 CG2 VAL A 117 2.106 -5.007 -4.225 1.00 0.00 C ATOM 0 H VAL A 117 1.073 -6.501 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 117 3.206 -8.043 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 117 3.686 -6.431 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.772 -6.856 -6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.274 -8.310 -5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.799 -7.436 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.080 -4.710 -5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.100 -4.954 -3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.763 -4.335 -3.673 1.00 0.00 H new ATOM 1774 N LEU A 118 4.341 -6.879 -0.737 1.00 0.00 N ATOM 1775 CA LEU A 118 5.267 -6.177 0.199 1.00 0.00 C ATOM 1776 C LEU A 118 6.783 -6.450 -0.072 1.00 0.00 C ATOM 1777 O LEU A 118 7.226 -7.583 -0.313 1.00 0.00 O ATOM 1778 CB LEU A 118 4.795 -6.299 1.679 1.00 0.00 C ATOM 1779 CG LEU A 118 4.814 -7.619 2.487 1.00 0.00 C ATOM 1780 CD1 LEU A 118 4.048 -8.757 1.812 1.00 0.00 C ATOM 1781 CD2 LEU A 118 6.221 -8.109 2.854 1.00 0.00 C ATOM 0 H LEU A 118 4.247 -7.878 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 118 5.200 -5.112 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.390 -5.585 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.765 -5.944 1.700 1.00 0.00 H new ATOM 0 HG LEU A 118 4.300 -7.350 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.103 -9.651 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.005 -8.468 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.489 -8.965 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.147 -9.038 3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.795 -8.282 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.722 -7.355 3.461 1.00 0.00 H new ATOM 1793 N SER A 119 7.579 -5.372 -0.003 1.00 0.00 N ATOM 1794 CA SER A 119 9.056 -5.445 -0.001 1.00 0.00 C ATOM 1795 C SER A 119 9.586 -5.714 1.442 1.00 0.00 C ATOM 1796 O SER A 119 9.695 -4.811 2.282 1.00 0.00 O ATOM 1797 CB SER A 119 9.590 -4.117 -0.574 1.00 0.00 C ATOM 1798 OG SER A 119 9.411 -4.008 -1.985 1.00 0.00 O ATOM 0 H SER A 119 7.219 -4.419 0.053 1.00 0.00 H new ATOM 0 HA SER A 119 9.406 -6.272 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.083 -3.286 -0.084 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.651 -4.027 -0.340 1.00 0.00 H new ATOM 0 HG SER A 119 10.198 -4.370 -2.444 1.00 0.00 H new ATOM 1804 N ARG A 120 9.889 -6.982 1.751 1.00 0.00 N ATOM 1805 CA ARG A 120 10.412 -7.379 3.084 1.00 0.00 C ATOM 1806 C ARG A 120 11.952 -7.146 3.157 1.00 0.00 C ATOM 1807 O ARG A 120 12.725 -7.909 2.571 1.00 0.00 O ATOM 1808 CB ARG A 120 9.984 -8.846 3.335 1.00 0.00 C ATOM 1809 CG ARG A 120 10.162 -9.356 4.798 1.00 0.00 C ATOM 1810 CD ARG A 120 10.879 -10.719 4.915 1.00 0.00 C ATOM 1811 NE ARG A 120 10.072 -11.785 4.246 1.00 0.00 N ATOM 1812 CZ ARG A 120 10.559 -12.841 3.613 1.00 0.00 C ATOM 1813 NH1 ARG A 120 11.753 -13.304 3.801 1.00 0.00 N ATOM 1814 NH2 ARG A 120 9.793 -13.433 2.770 1.00 0.00 N ATOM 0 H ARG A 120 9.784 -7.760 1.100 1.00 0.00 H new ATOM 0 HA ARG A 120 9.996 -6.764 3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.936 -8.953 3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 120 10.558 -9.492 2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 120 10.725 -8.613 5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.180 -9.434 5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 120 11.867 -10.659 4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 120 11.029 -10.971 5.965 1.00 0.00 H new ATOM 0 HE ARG A 120 9.057 -11.690 4.280 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.377 -12.850 4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 120 12.070 -14.123 3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 120 8.847 -13.086 2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.130 -14.250 2.261 1.00 0.00 H new ATOM 1828 N VAL A 121 12.387 -6.076 3.836 1.00 0.00 N ATOM 1829 CA VAL A 121 13.832 -5.704 3.925 1.00 0.00 C ATOM 1830 C VAL A 121 14.474 -6.375 5.200 1.00 0.00 C ATOM 1831 O VAL A 121 14.107 -5.976 6.313 1.00 0.00 O ATOM 1832 CB VAL A 121 14.025 -4.150 3.873 1.00 0.00 C ATOM 1833 CG1 VAL A 121 15.516 -3.733 3.894 1.00 0.00 C ATOM 1834 CG2 VAL A 121 13.425 -3.471 2.614 1.00 0.00 C ATOM 0 H VAL A 121 11.767 -5.441 4.339 1.00 0.00 H new ATOM 0 HA VAL A 121 14.363 -6.090 3.055 1.00 0.00 H new ATOM 0 HB VAL A 121 13.496 -3.817 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 121 15.590 -2.646 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 121 15.983 -4.097 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 121 16.026 -4.162 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 121 13.604 -2.397 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 121 13.897 -3.880 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.352 -3.659 2.576 1.00 0.00 H new ATOM 1844 N PRO A 122 15.412 -7.369 5.119 1.00 0.00 N ATOM 1845 CA PRO A 122 16.018 -7.992 6.331 1.00 0.00 C ATOM 1846 C PRO A 122 17.194 -7.163 6.970 1.00 0.00 C ATOM 1847 O PRO A 122 18.091 -6.678 6.270 1.00 0.00 O ATOM 1848 CB PRO A 122 16.441 -9.355 5.749 1.00 0.00 C ATOM 1849 CG PRO A 122 16.823 -9.085 4.287 1.00 0.00 C ATOM 1850 CD PRO A 122 15.865 -7.978 3.846 1.00 0.00 C ATOM 0 HA PRO A 122 15.347 -8.057 7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 122 17.282 -9.772 6.302 1.00 0.00 H new ATOM 0 HB3 PRO A 122 15.627 -10.077 5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 122 17.863 -8.770 4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 122 16.708 -9.979 3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 122 16.365 -7.248 3.210 1.00 0.00 H new ATOM 0 HD3 PRO A 122 15.028 -8.379 3.275 1.00 0.00 H new ATOM 1935 N THR A 129 3.968 2.437 13.884 1.00 0.00 N ATOM 1936 CA THR A 129 2.676 1.730 13.634 1.00 0.00 C ATOM 1937 C THR A 129 2.749 0.162 13.639 1.00 0.00 C ATOM 1938 O THR A 129 3.719 -0.446 13.190 1.00 0.00 O ATOM 1939 CB THR A 129 1.956 2.298 12.353 1.00 0.00 C ATOM 1940 OG1 THR A 129 2.811 2.937 11.407 1.00 0.00 O ATOM 1941 CG2 THR A 129 0.883 3.338 12.705 1.00 0.00 C ATOM 0 HA THR A 129 2.060 1.954 14.505 1.00 0.00 H new ATOM 0 HB THR A 129 1.535 1.397 11.907 1.00 0.00 H new ATOM 0 HG1 THR A 129 3.698 3.065 11.803 1.00 0.00 H new ATOM 0 HG21 THR A 129 0.414 3.701 11.790 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.127 2.880 13.343 1.00 0.00 H new ATOM 0 HG23 THR A 129 1.345 4.173 13.232 1.00 0.00 H new ATOM 1949 N TYR A 130 1.699 -0.493 14.157 1.00 0.00 N ATOM 1950 CA TYR A 130 1.695 -1.967 14.409 1.00 0.00 C ATOM 1951 C TYR A 130 0.783 -2.728 13.386 1.00 0.00 C ATOM 1952 O TYR A 130 -0.267 -2.218 12.979 1.00 0.00 O ATOM 1953 CB TYR A 130 1.247 -2.175 15.891 1.00 0.00 C ATOM 1954 CG TYR A 130 1.800 -3.427 16.602 1.00 0.00 C ATOM 1955 CD1 TYR A 130 1.236 -4.693 16.378 1.00 0.00 C ATOM 1956 CD2 TYR A 130 2.832 -3.300 17.530 1.00 0.00 C ATOM 1957 CE1 TYR A 130 1.727 -5.809 17.058 1.00 0.00 C ATOM 1958 CE2 TYR A 130 3.303 -4.410 18.230 1.00 0.00 C ATOM 1959 CZ TYR A 130 2.756 -5.669 17.976 1.00 0.00 C ATOM 1960 OH TYR A 130 3.261 -6.767 18.629 1.00 0.00 O ATOM 0 H TYR A 130 0.827 -0.031 14.416 1.00 0.00 H new ATOM 0 HA TYR A 130 2.689 -2.389 14.262 1.00 0.00 H new ATOM 0 HB2 TYR A 130 1.543 -1.297 16.465 1.00 0.00 H new ATOM 0 HB3 TYR A 130 0.158 -2.220 15.916 1.00 0.00 H new ATOM 0 HD1 TYR A 130 0.421 -4.804 15.678 1.00 0.00 H new ATOM 0 HD2 TYR A 130 3.272 -2.330 17.709 1.00 0.00 H new ATOM 0 HE1 TYR A 130 1.304 -6.784 16.868 1.00 0.00 H new ATOM 0 HE2 TYR A 130 4.087 -4.296 18.965 1.00 0.00 H new ATOM 0 HH TYR A 130 3.978 -6.486 19.235 1.00 0.00 H new ATOM 1970 N TYR A 131 1.137 -3.971 13.011 1.00 0.00 N ATOM 1971 CA TYR A 131 0.255 -4.845 12.177 1.00 0.00 C ATOM 1972 C TYR A 131 -1.144 -5.173 12.824 1.00 0.00 C ATOM 1973 O TYR A 131 -1.150 -5.538 14.007 1.00 0.00 O ATOM 1974 CB TYR A 131 1.025 -6.133 11.747 1.00 0.00 C ATOM 1975 CG TYR A 131 1.417 -6.145 10.260 1.00 0.00 C ATOM 1976 CD1 TYR A 131 0.504 -6.596 9.297 1.00 0.00 C ATOM 1977 CD2 TYR A 131 2.664 -5.672 9.850 1.00 0.00 C ATOM 1978 CE1 TYR A 131 0.853 -6.598 7.947 1.00 0.00 C ATOM 1979 CE2 TYR A 131 3.006 -5.660 8.498 1.00 0.00 C ATOM 1980 CZ TYR A 131 2.101 -6.139 7.551 1.00 0.00 C ATOM 1981 OH TYR A 131 2.447 -6.156 6.226 1.00 0.00 O ATOM 0 H TYR A 131 2.025 -4.403 13.266 1.00 0.00 H new ATOM 0 HA TYR A 131 0.004 -4.268 11.287 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.926 -6.227 12.353 1.00 0.00 H new ATOM 0 HB3 TYR A 131 0.406 -7.005 11.958 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -0.472 -6.943 9.601 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.369 -5.313 10.585 1.00 0.00 H new ATOM 0 HE1 TYR A 131 0.151 -6.957 7.209 1.00 0.00 H new ATOM 0 HE2 TYR A 131 3.968 -5.281 8.186 1.00 0.00 H new ATOM 0 HH TYR A 131 3.071 -5.423 6.041 1.00 0.00 H new ATOM 1991 N PRO A 132 -2.332 -5.058 12.156 1.00 0.00 N ATOM 1992 CA PRO A 132 -3.646 -5.240 12.829 1.00 0.00 C ATOM 1993 C PRO A 132 -4.032 -6.760 12.914 1.00 0.00 C ATOM 1994 O PRO A 132 -3.316 -7.543 13.551 1.00 0.00 O ATOM 1995 CB PRO A 132 -4.509 -4.232 12.022 1.00 0.00 C ATOM 1996 CG PRO A 132 -3.737 -3.855 10.747 1.00 0.00 C ATOM 1997 CD PRO A 132 -2.499 -4.742 10.724 1.00 0.00 C ATOM 0 HA PRO A 132 -3.741 -5.013 13.891 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -5.472 -4.674 11.767 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -4.714 -3.344 12.619 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -4.348 -4.017 9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -3.461 -2.801 10.756 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.648 -5.638 10.122 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.632 -4.224 10.315 1.00 0.00 H new ATOM 2005 N GLU A 133 -5.111 -7.187 12.254 1.00 0.00 N ATOM 2006 CA GLU A 133 -5.511 -8.616 12.157 1.00 0.00 C ATOM 2007 C GLU A 133 -5.373 -9.104 10.678 1.00 0.00 C ATOM 2008 O GLU A 133 -6.328 -9.112 9.898 1.00 0.00 O ATOM 2009 CB GLU A 133 -6.894 -8.809 12.852 1.00 0.00 C ATOM 2010 CG GLU A 133 -8.149 -8.036 12.341 1.00 0.00 C ATOM 2011 CD GLU A 133 -8.231 -6.543 12.632 1.00 0.00 C ATOM 2012 OE1 GLU A 133 -8.767 -6.166 13.695 1.00 0.00 O ATOM 2013 OE2 GLU A 133 -7.776 -5.737 11.793 1.00 0.00 O ATOM 0 H GLU A 133 -5.745 -6.556 11.764 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.843 -9.279 12.706 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.131 -9.872 12.809 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -6.764 -8.554 13.904 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -8.208 -8.170 11.261 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -9.032 -8.510 12.770 1.00 0.00 H new ATOM 2020 N TRP A 134 -4.132 -9.453 10.273 1.00 0.00 N ATOM 2021 CA TRP A 134 -3.830 -9.981 8.913 1.00 0.00 C ATOM 2022 C TRP A 134 -3.809 -11.551 8.871 1.00 0.00 C ATOM 2023 O TRP A 134 -3.439 -12.214 9.851 1.00 0.00 O ATOM 2024 CB TRP A 134 -2.576 -9.240 8.329 1.00 0.00 C ATOM 2025 CG TRP A 134 -1.220 -9.967 8.226 1.00 0.00 C ATOM 2026 CD1 TRP A 134 -0.706 -10.537 7.039 1.00 0.00 C ATOM 2027 CD2 TRP A 134 -0.238 -10.176 9.182 1.00 0.00 C ATOM 2028 NE1 TRP A 134 0.591 -11.054 7.218 1.00 0.00 N ATOM 2029 CE2 TRP A 134 0.850 -10.839 8.559 1.00 0.00 C ATOM 2030 CE3 TRP A 134 -0.195 -9.871 10.568 1.00 0.00 C ATOM 2031 CZ2 TRP A 134 1.991 -11.196 9.315 1.00 0.00 C ATOM 2032 CZ3 TRP A 134 0.940 -10.237 11.293 1.00 0.00 C ATOM 2033 CH2 TRP A 134 2.019 -10.888 10.676 1.00 0.00 C ATOM 0 H TRP A 134 -3.310 -9.379 10.873 1.00 0.00 H new ATOM 0 HA TRP A 134 -4.644 -9.750 8.226 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -2.838 -8.903 7.326 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -2.418 -8.347 8.934 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -1.245 -10.572 6.104 1.00 0.00 H new ATOM 0 HE1 TRP A 134 1.198 -11.486 6.521 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -1.021 -9.368 11.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 2.825 -11.698 8.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 0.989 -10.015 12.349 1.00 0.00 H new ATOM 0 HH2 TRP A 134 2.885 -11.155 11.264 1.00 0.00 H new ATOM 2044 N ASP A 135 -4.217 -12.128 7.739 1.00 0.00 N ATOM 2045 CA ASP A 135 -4.736 -13.523 7.691 1.00 0.00 C ATOM 2046 C ASP A 135 -3.605 -14.605 7.546 1.00 0.00 C ATOM 2047 O ASP A 135 -3.402 -15.191 6.484 1.00 0.00 O ATOM 2048 CB ASP A 135 -5.832 -13.573 6.575 1.00 0.00 C ATOM 2049 CG ASP A 135 -6.942 -12.510 6.584 1.00 0.00 C ATOM 2050 OD1 ASP A 135 -6.655 -11.357 6.191 1.00 0.00 O ATOM 2051 OD2 ASP A 135 -8.086 -12.816 6.979 1.00 0.00 O ATOM 0 H ASP A 135 -4.203 -11.660 6.833 1.00 0.00 H new ATOM 0 HA ASP A 135 -5.190 -13.790 8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -5.326 -13.514 5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -6.310 -14.551 6.625 1.00 0.00 H new ATOM 2056 N ALA A 136 -2.849 -14.874 8.631 1.00 0.00 N ATOM 2057 CA ALA A 136 -1.630 -15.748 8.598 1.00 0.00 C ATOM 2058 C ALA A 136 -1.690 -17.235 8.085 1.00 0.00 C ATOM 2059 O ALA A 136 -0.629 -17.823 7.868 1.00 0.00 O ATOM 2060 CB ALA A 136 -1.048 -15.665 10.028 1.00 0.00 C ATOM 0 H ALA A 136 -3.055 -14.499 9.557 1.00 0.00 H new ATOM 0 HA ALA A 136 -1.015 -15.348 7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -0.150 -16.279 10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.797 -14.630 10.259 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.786 -16.028 10.743 1.00 0.00 H new ATOM 2066 N ALA A 137 -2.871 -17.846 7.903 1.00 0.00 N ATOM 2067 CA ALA A 137 -3.036 -19.036 7.014 1.00 0.00 C ATOM 2068 C ALA A 137 -3.849 -18.826 5.681 1.00 0.00 C ATOM 2069 O ALA A 137 -3.608 -19.559 4.725 1.00 0.00 O ATOM 2070 CB ALA A 137 -3.587 -20.215 7.852 1.00 0.00 C ATOM 0 H ALA A 137 -3.734 -17.545 8.355 1.00 0.00 H new ATOM 0 HA ALA A 137 -2.038 -19.256 6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -3.711 -21.089 7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -2.888 -20.449 8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.551 -19.938 8.280 1.00 0.00 H new ATOM 2076 N GLU A 138 -4.800 -17.872 5.601 1.00 0.00 N ATOM 2077 CA GLU A 138 -5.650 -17.648 4.382 1.00 0.00 C ATOM 2078 C GLU A 138 -5.148 -16.529 3.370 1.00 0.00 C ATOM 2079 O GLU A 138 -5.861 -16.130 2.451 1.00 0.00 O ATOM 2080 CB GLU A 138 -7.112 -17.486 4.916 1.00 0.00 C ATOM 2081 CG GLU A 138 -7.689 -18.757 5.630 1.00 0.00 C ATOM 2082 CD GLU A 138 -9.092 -19.230 5.303 1.00 0.00 C ATOM 2083 OE1 GLU A 138 -9.372 -19.518 4.120 1.00 0.00 O ATOM 2084 OE2 GLU A 138 -9.892 -19.414 6.245 1.00 0.00 O ATOM 0 H GLU A 138 -5.010 -17.232 6.367 1.00 0.00 H new ATOM 0 HA GLU A 138 -5.581 -18.504 3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -7.140 -16.649 5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -7.763 -17.227 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -7.010 -19.584 5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -7.649 -18.574 6.704 1.00 0.00 H new ATOM 2091 N TRP A 139 -3.877 -16.098 3.482 1.00 0.00 N ATOM 2092 CA TRP A 139 -3.085 -15.509 2.370 1.00 0.00 C ATOM 2093 C TRP A 139 -2.154 -16.598 1.720 1.00 0.00 C ATOM 2094 O TRP A 139 -1.104 -16.926 2.285 1.00 0.00 O ATOM 2095 CB TRP A 139 -2.282 -14.305 2.955 1.00 0.00 C ATOM 2096 CG TRP A 139 -3.018 -12.963 3.004 1.00 0.00 C ATOM 2097 CD1 TRP A 139 -3.405 -12.269 4.160 1.00 0.00 C ATOM 2098 CD2 TRP A 139 -3.397 -12.154 1.953 1.00 0.00 C ATOM 2099 NE1 TRP A 139 -4.055 -11.046 3.871 1.00 0.00 N ATOM 2100 CE2 TRP A 139 -4.023 -10.999 2.487 1.00 0.00 C ATOM 2101 CE3 TRP A 139 -3.270 -12.326 0.547 1.00 0.00 C ATOM 2102 CZ2 TRP A 139 -4.506 -9.991 1.617 1.00 0.00 C ATOM 2103 CZ3 TRP A 139 -3.786 -11.334 -0.290 1.00 0.00 C ATOM 2104 CH2 TRP A 139 -4.366 -10.172 0.238 1.00 0.00 C ATOM 0 H TRP A 139 -3.358 -16.147 4.359 1.00 0.00 H new ATOM 0 HA TRP A 139 -3.732 -15.151 1.569 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.969 -14.561 3.967 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.376 -14.178 2.363 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -3.226 -12.629 5.162 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -4.450 -10.367 4.521 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -2.787 -13.201 0.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.973 -9.101 2.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -3.737 -11.464 -1.361 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -4.712 -9.401 -0.434 1.00 0.00 H new ATOM 2115 N GLU A 140 -2.506 -17.127 0.531 1.00 0.00 N ATOM 2116 CA GLU A 140 -1.575 -17.968 -0.286 1.00 0.00 C ATOM 2117 C GLU A 140 -0.447 -17.126 -0.984 1.00 0.00 C ATOM 2118 O GLU A 140 -0.634 -15.958 -1.351 1.00 0.00 O ATOM 2119 CB GLU A 140 -2.393 -18.759 -1.351 1.00 0.00 C ATOM 2120 CG GLU A 140 -3.143 -20.031 -0.848 1.00 0.00 C ATOM 2121 CD GLU A 140 -2.539 -21.355 -1.292 1.00 0.00 C ATOM 2122 OE1 GLU A 140 -2.787 -21.761 -2.449 1.00 0.00 O ATOM 2123 OE2 GLU A 140 -1.828 -22.000 -0.496 1.00 0.00 O ATOM 0 H GLU A 140 -3.424 -16.994 0.106 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.074 -18.657 0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.126 -18.082 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.715 -19.057 -2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.172 -20.010 0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.175 -19.986 -1.195 1.00 0.00 H new ATOM 2130 N LEU A 141 0.731 -17.732 -1.192 1.00 0.00 N ATOM 2131 CA LEU A 141 1.866 -17.085 -1.909 1.00 0.00 C ATOM 2132 C LEU A 141 1.866 -17.446 -3.436 1.00 0.00 C ATOM 2133 O LEU A 141 1.796 -18.624 -3.797 1.00 0.00 O ATOM 2134 CB LEU A 141 3.220 -17.493 -1.254 1.00 0.00 C ATOM 2135 CG LEU A 141 3.424 -17.128 0.248 1.00 0.00 C ATOM 2136 CD1 LEU A 141 3.332 -18.372 1.150 1.00 0.00 C ATOM 2137 CD2 LEU A 141 4.746 -16.382 0.485 1.00 0.00 C ATOM 0 H LEU A 141 0.934 -18.680 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 141 1.741 -16.005 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.334 -18.572 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 141 4.025 -17.031 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 141 2.612 -16.453 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 141 3.479 -18.079 2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 141 2.350 -18.831 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 141 4.102 -19.088 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.847 -16.148 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.580 -17.010 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 141 4.751 -15.458 -0.093 1.00 0.00 H new ATOM 2149 N ASP A 142 1.993 -16.444 -4.315 1.00 0.00 N ATOM 2150 CA ASP A 142 2.160 -16.651 -5.791 1.00 0.00 C ATOM 2151 C ASP A 142 3.680 -16.697 -6.193 1.00 0.00 C ATOM 2152 O ASP A 142 4.195 -17.744 -6.602 1.00 0.00 O ATOM 2153 CB ASP A 142 1.311 -15.548 -6.499 1.00 0.00 C ATOM 2154 CG ASP A 142 0.937 -15.758 -7.968 1.00 0.00 C ATOM 2155 OD1 ASP A 142 1.730 -16.342 -8.737 1.00 0.00 O ATOM 2156 OD2 ASP A 142 -0.159 -15.303 -8.364 1.00 0.00 O ATOM 0 H ASP A 142 1.985 -15.462 -4.041 1.00 0.00 H new ATOM 0 HA ASP A 142 1.789 -17.622 -6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 142 0.387 -15.425 -5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 142 1.858 -14.608 -6.425 1.00 0.00 H new ATOM 2161 N ALA A 143 4.417 -15.577 -6.028 1.00 0.00 N ATOM 2162 CA ALA A 143 5.842 -15.464 -6.423 1.00 0.00 C ATOM 2163 C ALA A 143 6.697 -14.650 -5.391 1.00 0.00 C ATOM 2164 O ALA A 143 6.636 -13.416 -5.353 1.00 0.00 O ATOM 2165 CB ALA A 143 5.851 -14.798 -7.818 1.00 0.00 C ATOM 0 H ALA A 143 4.041 -14.723 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 143 6.305 -16.451 -6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 143 6.879 -14.688 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 143 5.297 -15.420 -8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 143 5.383 -13.816 -7.755 1.00 0.00 H new ATOM 2171 N GLU A 144 7.571 -15.315 -4.605 1.00 0.00 N ATOM 2172 CA GLU A 144 8.714 -14.615 -3.940 1.00 0.00 C ATOM 2173 C GLU A 144 9.962 -14.467 -4.881 1.00 0.00 C ATOM 2174 O GLU A 144 10.472 -15.424 -5.471 1.00 0.00 O ATOM 2175 CB GLU A 144 9.041 -15.178 -2.529 1.00 0.00 C ATOM 2176 CG GLU A 144 10.006 -14.264 -1.704 1.00 0.00 C ATOM 2177 CD GLU A 144 10.166 -14.545 -0.220 1.00 0.00 C ATOM 2178 OE1 GLU A 144 9.206 -14.987 0.442 1.00 0.00 O ATOM 2179 OE2 GLU A 144 11.237 -14.218 0.334 1.00 0.00 O ATOM 0 H GLU A 144 7.518 -16.315 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 144 8.379 -13.595 -3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 144 8.112 -15.308 -1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 144 9.490 -16.166 -2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 144 10.993 -14.323 -2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 144 9.664 -13.235 -1.813 1.00 0.00 H new ATOM 2186 N THR A 145 10.438 -13.217 -5.005 1.00 0.00 N ATOM 2187 CA THR A 145 11.644 -12.850 -5.803 1.00 0.00 C ATOM 2188 C THR A 145 12.733 -12.208 -4.874 1.00 0.00 C ATOM 2189 O THR A 145 12.628 -11.040 -4.467 1.00 0.00 O ATOM 2190 CB THR A 145 11.267 -11.910 -6.996 1.00 0.00 C ATOM 2191 OG1 THR A 145 10.640 -10.717 -6.538 1.00 0.00 O ATOM 2192 CG2 THR A 145 10.316 -12.538 -8.027 1.00 0.00 C ATOM 0 H THR A 145 9.998 -12.415 -4.553 1.00 0.00 H new ATOM 0 HA THR A 145 12.066 -13.757 -6.236 1.00 0.00 H new ATOM 0 HB THR A 145 12.223 -11.710 -7.479 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.102 -10.392 -5.737 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.109 -11.817 -8.818 1.00 0.00 H new ATOM 0 HG22 THR A 145 10.781 -13.425 -8.458 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.383 -12.818 -7.538 1.00 0.00 H new ATOM 2200 N ASP A 146 13.800 -12.965 -4.574 1.00 0.00 N ATOM 2201 CA ASP A 146 14.942 -12.497 -3.741 1.00 0.00 C ATOM 2202 C ASP A 146 15.891 -11.453 -4.438 1.00 0.00 C ATOM 2203 O ASP A 146 16.016 -11.373 -5.667 1.00 0.00 O ATOM 2204 CB ASP A 146 15.654 -13.743 -3.144 1.00 0.00 C ATOM 2205 CG ASP A 146 16.563 -14.561 -4.065 1.00 0.00 C ATOM 2206 OD1 ASP A 146 16.054 -15.207 -5.006 1.00 0.00 O ATOM 2207 OD2 ASP A 146 17.792 -14.567 -3.832 1.00 0.00 O ATOM 0 H ASP A 146 13.905 -13.926 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 146 14.551 -11.896 -2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 146 16.251 -13.411 -2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 146 14.886 -14.411 -2.753 1.00 0.00 H new ATOM 2212 N HIS A 147 16.489 -10.556 -3.636 1.00 0.00 N ATOM 2213 CA HIS A 147 17.381 -9.468 -4.139 1.00 0.00 C ATOM 2214 C HIS A 147 18.495 -9.113 -3.090 1.00 0.00 C ATOM 2215 O HIS A 147 18.366 -9.364 -1.888 1.00 0.00 O ATOM 2216 CB HIS A 147 16.556 -8.190 -4.514 1.00 0.00 C ATOM 2217 CG HIS A 147 15.427 -8.321 -5.542 1.00 0.00 C ATOM 2218 ND1 HIS A 147 14.116 -8.536 -5.167 1.00 0.00 N ATOM 2219 CD2 HIS A 147 15.526 -8.309 -6.945 1.00 0.00 C ATOM 2220 CE1 HIS A 147 13.519 -8.706 -6.387 1.00 0.00 C ATOM 2221 NE2 HIS A 147 14.277 -8.546 -7.521 1.00 0.00 N ATOM 0 H HIS A 147 16.376 -10.554 -2.622 1.00 0.00 H new ATOM 0 HA HIS A 147 17.869 -9.838 -5.041 1.00 0.00 H new ATOM 0 HB2 HIS A 147 16.123 -7.794 -3.595 1.00 0.00 H new ATOM 0 HB3 HIS A 147 17.256 -7.441 -4.885 1.00 0.00 H new ATOM 0 HD2 HIS A 147 16.438 -8.140 -7.498 1.00 0.00 H new ATOM 0 HE1 HIS A 147 12.472 -8.961 -6.456 1.00 0.00 H new ATOM 0 HE2 HIS A 147 14.005 -8.588 -8.503 1.00 0.00 H new ATOM 2230 N GLU A 148 19.566 -8.438 -3.542 1.00 0.00 N ATOM 2231 CA GLU A 148 20.708 -7.991 -2.681 1.00 0.00 C ATOM 2232 C GLU A 148 20.449 -7.143 -1.381 1.00 0.00 C ATOM 2233 O GLU A 148 21.183 -7.292 -0.402 1.00 0.00 O ATOM 2234 CB GLU A 148 21.719 -7.335 -3.661 1.00 0.00 C ATOM 2235 CG GLU A 148 21.316 -5.957 -4.270 1.00 0.00 C ATOM 2236 CD GLU A 148 22.096 -5.523 -5.496 1.00 0.00 C ATOM 2237 OE1 GLU A 148 21.676 -5.878 -6.618 1.00 0.00 O ATOM 2238 OE2 GLU A 148 23.097 -4.792 -5.350 1.00 0.00 O ATOM 0 H GLU A 148 19.678 -8.178 -4.522 1.00 0.00 H new ATOM 0 HA GLU A 148 21.078 -8.881 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 148 22.667 -7.211 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 148 21.896 -8.030 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 148 20.258 -5.991 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 148 21.431 -5.194 -3.501 1.00 0.00 H new ATOM 2245 N GLY A 149 19.409 -6.291 -1.343 1.00 0.00 N ATOM 2246 CA GLY A 149 18.886 -5.736 -0.055 1.00 0.00 C ATOM 2247 C GLY A 149 17.350 -5.585 0.095 1.00 0.00 C ATOM 2248 O GLY A 149 16.893 -4.623 0.709 1.00 0.00 O ATOM 0 H GLY A 149 18.911 -5.967 -2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 149 19.241 -6.375 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 149 19.335 -4.754 0.094 1.00 0.00 H new ATOM 2252 N PHE A 150 16.568 -6.544 -0.426 1.00 0.00 N ATOM 2253 CA PHE A 150 15.098 -6.679 -0.184 1.00 0.00 C ATOM 2254 C PHE A 150 14.596 -8.068 -0.730 1.00 0.00 C ATOM 2255 O PHE A 150 15.257 -8.728 -1.538 1.00 0.00 O ATOM 2256 CB PHE A 150 14.250 -5.473 -0.723 1.00 0.00 C ATOM 2257 CG PHE A 150 13.866 -5.417 -2.218 1.00 0.00 C ATOM 2258 CD1 PHE A 150 14.840 -5.254 -3.205 1.00 0.00 C ATOM 2259 CD2 PHE A 150 12.521 -5.505 -2.594 1.00 0.00 C ATOM 2260 CE1 PHE A 150 14.472 -5.157 -4.545 1.00 0.00 C ATOM 2261 CE2 PHE A 150 12.152 -5.398 -3.931 1.00 0.00 C ATOM 2262 CZ PHE A 150 13.128 -5.209 -4.906 1.00 0.00 C ATOM 0 H PHE A 150 16.935 -7.269 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 150 14.941 -6.649 0.894 1.00 0.00 H new ATOM 0 HB2 PHE A 150 13.325 -5.442 -0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 150 14.799 -4.560 -0.493 1.00 0.00 H new ATOM 0 HD1 PHE A 150 15.883 -5.203 -2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 150 11.763 -5.657 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 150 15.230 -5.041 -5.305 1.00 0.00 H new ATOM 0 HE2 PHE A 150 11.111 -5.461 -4.212 1.00 0.00 H new ATOM 0 HZ PHE A 150 12.843 -5.103 -5.942 1.00 0.00 H new ATOM 2272 N THR A 151 13.373 -8.481 -0.388 1.00 0.00 N ATOM 2273 CA THR A 151 12.629 -9.516 -1.174 1.00 0.00 C ATOM 2274 C THR A 151 11.169 -9.029 -1.433 1.00 0.00 C ATOM 2275 O THR A 151 10.425 -8.699 -0.502 1.00 0.00 O ATOM 2276 CB THR A 151 12.779 -10.932 -0.537 1.00 0.00 C ATOM 2277 OG1 THR A 151 12.171 -11.921 -1.353 1.00 0.00 O ATOM 2278 CG2 THR A 151 12.186 -11.140 0.856 1.00 0.00 C ATOM 0 H THR A 151 12.863 -8.127 0.422 1.00 0.00 H new ATOM 0 HA THR A 151 13.070 -9.639 -2.163 1.00 0.00 H new ATOM 0 HB THR A 151 13.862 -11.021 -0.452 1.00 0.00 H new ATOM 0 HG1 THR A 151 11.972 -12.714 -0.812 1.00 0.00 H new ATOM 0 HG21 THR A 151 12.362 -12.167 1.177 1.00 0.00 H new ATOM 0 HG22 THR A 151 12.659 -10.454 1.559 1.00 0.00 H new ATOM 0 HG23 THR A 151 11.114 -10.947 0.827 1.00 0.00 H new ATOM 2286 N LEU A 152 10.747 -8.977 -2.710 1.00 0.00 N ATOM 2287 CA LEU A 152 9.300 -8.853 -3.060 1.00 0.00 C ATOM 2288 C LEU A 152 8.637 -10.248 -2.916 1.00 0.00 C ATOM 2289 O LEU A 152 9.046 -11.205 -3.579 1.00 0.00 O ATOM 2290 CB LEU A 152 9.173 -8.253 -4.494 1.00 0.00 C ATOM 2291 CG LEU A 152 7.804 -8.213 -5.239 1.00 0.00 C ATOM 2292 CD1 LEU A 152 7.356 -9.560 -5.842 1.00 0.00 C ATOM 2293 CD2 LEU A 152 6.671 -7.541 -4.444 1.00 0.00 C ATOM 0 H LEU A 152 11.371 -9.018 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 152 8.777 -8.174 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 152 9.536 -7.227 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 152 9.865 -8.804 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 152 8.013 -7.563 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 152 6.394 -9.434 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 152 8.097 -9.899 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 152 7.259 -10.300 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 152 5.754 -7.555 -5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 152 6.511 -8.082 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 152 6.944 -6.509 -4.223 1.00 0.00 H new ATOM 2305 N GLN A 153 7.598 -10.335 -2.090 1.00 0.00 N ATOM 2306 CA GLN A 153 6.638 -11.470 -2.123 1.00 0.00 C ATOM 2307 C GLN A 153 5.259 -10.982 -2.689 1.00 0.00 C ATOM 2308 O GLN A 153 4.611 -10.106 -2.108 1.00 0.00 O ATOM 2309 CB GLN A 153 6.612 -12.228 -0.763 1.00 0.00 C ATOM 2310 CG GLN A 153 6.762 -11.432 0.570 1.00 0.00 C ATOM 2311 CD GLN A 153 6.849 -12.194 1.894 1.00 0.00 C ATOM 2312 OE1 GLN A 153 7.355 -11.692 2.892 1.00 0.00 O ATOM 2313 NE2 GLN A 153 6.460 -13.436 1.973 1.00 0.00 N ATOM 0 H GLN A 153 7.386 -9.635 -1.379 1.00 0.00 H new ATOM 0 HA GLN A 153 6.965 -12.239 -2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 153 5.669 -12.773 -0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 153 7.409 -12.971 -0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 153 7.659 -10.819 0.486 1.00 0.00 H new ATOM 0 HG3 GLN A 153 5.915 -10.749 0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 153 6.034 -13.890 1.165 1.00 0.00 H new ATOM 0 HE22 GLN A 153 6.581 -13.954 2.843 1.00 0.00 H new ATOM 2322 N GLU A 154 4.869 -11.540 -3.852 1.00 0.00 N ATOM 2323 CA GLU A 154 3.547 -11.322 -4.505 1.00 0.00 C ATOM 2324 C GLU A 154 2.540 -12.468 -4.083 1.00 0.00 C ATOM 2325 O GLU A 154 2.879 -13.654 -4.113 1.00 0.00 O ATOM 2326 CB GLU A 154 3.793 -11.138 -6.059 1.00 0.00 C ATOM 2327 CG GLU A 154 3.436 -9.706 -6.565 1.00 0.00 C ATOM 2328 CD GLU A 154 3.720 -9.120 -7.949 1.00 0.00 C ATOM 2329 OE1 GLU A 154 4.753 -9.440 -8.564 1.00 0.00 O ATOM 2330 OE2 GLU A 154 2.940 -8.226 -8.379 1.00 0.00 O ATOM 0 H GLU A 154 5.472 -12.170 -4.381 1.00 0.00 H new ATOM 0 HA GLU A 154 3.055 -10.409 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 154 4.839 -11.347 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 154 3.198 -11.870 -6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 154 2.359 -9.611 -6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 154 3.910 -9.024 -5.859 1.00 0.00 H new ATOM 2337 N TRP A 155 1.333 -12.114 -3.595 1.00 0.00 N ATOM 2338 CA TRP A 155 0.396 -13.061 -2.891 1.00 0.00 C ATOM 2339 C TRP A 155 -1.044 -13.064 -3.514 1.00 0.00 C ATOM 2340 O TRP A 155 -1.535 -12.026 -3.968 1.00 0.00 O ATOM 2341 CB TRP A 155 0.236 -12.662 -1.390 1.00 0.00 C ATOM 2342 CG TRP A 155 1.463 -12.616 -0.467 1.00 0.00 C ATOM 2343 CD1 TRP A 155 2.417 -11.586 -0.500 1.00 0.00 C ATOM 2344 CD2 TRP A 155 1.726 -13.315 0.701 1.00 0.00 C ATOM 2345 NE1 TRP A 155 3.284 -11.628 0.597 1.00 0.00 N ATOM 2346 CE2 TRP A 155 2.824 -12.685 1.344 1.00 0.00 C ATOM 2347 CE3 TRP A 155 1.056 -14.393 1.333 1.00 0.00 C ATOM 2348 CZ2 TRP A 155 3.227 -13.099 2.631 1.00 0.00 C ATOM 2349 CZ3 TRP A 155 1.499 -14.811 2.591 1.00 0.00 C ATOM 2350 CH2 TRP A 155 2.568 -14.171 3.232 1.00 0.00 C ATOM 0 H TRP A 155 0.965 -11.166 -3.670 1.00 0.00 H new ATOM 0 HA TRP A 155 0.842 -14.049 -3.000 1.00 0.00 H new ATOM 0 HB2 TRP A 155 -0.224 -11.674 -1.366 1.00 0.00 H new ATOM 0 HB3 TRP A 155 -0.477 -13.356 -0.945 1.00 0.00 H new ATOM 0 HD1 TRP A 155 2.475 -10.845 -1.284 1.00 0.00 H new ATOM 0 HE1 TRP A 155 4.075 -11.015 0.796 1.00 0.00 H new ATOM 0 HE3 TRP A 155 0.221 -14.881 0.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 155 4.033 -12.594 3.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 155 1.009 -15.642 3.077 1.00 0.00 H new ATOM 0 HH2 TRP A 155 2.886 -14.513 4.206 1.00 0.00 H new ATOM 2361 N VAL A 156 -1.754 -14.209 -3.445 1.00 0.00 N ATOM 2362 CA VAL A 156 -3.067 -14.413 -4.155 1.00 0.00 C ATOM 2363 C VAL A 156 -4.326 -14.828 -3.288 1.00 0.00 C ATOM 2364 O VAL A 156 -5.408 -15.025 -3.851 1.00 0.00 O ATOM 2365 CB VAL A 156 -2.770 -15.345 -5.388 1.00 0.00 C ATOM 2366 CG1 VAL A 156 -2.608 -16.850 -5.064 1.00 0.00 C ATOM 2367 CG2 VAL A 156 -3.796 -15.189 -6.530 1.00 0.00 C ATOM 0 H VAL A 156 -1.451 -15.020 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 156 -3.428 -13.436 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.796 -14.982 -5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -2.406 -17.400 -5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 156 -1.778 -16.986 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -3.525 -17.225 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -3.534 -15.859 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -4.791 -15.438 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.789 -14.159 -6.887 1.00 0.00 H new ATOM 2377 N ARG A 157 -4.260 -14.884 -1.933 1.00 0.00 N ATOM 2378 CA ARG A 157 -5.452 -15.121 -1.040 1.00 0.00 C ATOM 2379 C ARG A 157 -6.002 -16.599 -1.019 1.00 0.00 C ATOM 2380 O ARG A 157 -5.543 -17.453 -1.779 1.00 0.00 O ATOM 2381 CB ARG A 157 -6.523 -14.003 -1.262 1.00 0.00 C ATOM 2382 CG ARG A 157 -7.064 -13.278 -0.005 1.00 0.00 C ATOM 2383 CD ARG A 157 -7.706 -11.951 -0.438 1.00 0.00 C ATOM 2384 NE ARG A 157 -8.534 -11.383 0.652 1.00 0.00 N ATOM 2385 CZ ARG A 157 -9.832 -11.134 0.571 1.00 0.00 C ATOM 2386 NH1 ARG A 157 -10.522 -11.118 -0.538 1.00 0.00 N ATOM 2387 NH2 ARG A 157 -10.451 -10.895 1.671 1.00 0.00 N ATOM 0 H ARG A 157 -3.387 -14.768 -1.418 1.00 0.00 H new ATOM 0 HA ARG A 157 -5.105 -15.028 -0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -6.094 -13.252 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.370 -14.446 -1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -7.797 -13.903 0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.255 -13.093 0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.928 -11.240 -0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.323 -12.112 -1.322 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.068 -11.167 1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -10.061 -11.307 -1.428 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -11.522 -10.917 -0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.942 -10.903 2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.452 -10.698 1.661 1.00 0.00 H new ATOM 2401 N SER A 158 -6.977 -16.925 -0.141 1.00 0.00 N ATOM 2402 CA SER A 158 -7.537 -18.314 -0.026 1.00 0.00 C ATOM 2403 C SER A 158 -8.447 -18.774 -1.226 1.00 0.00 C ATOM 2404 O SER A 158 -9.678 -18.830 -1.175 1.00 0.00 O ATOM 2405 CB SER A 158 -8.229 -18.388 1.353 1.00 0.00 C ATOM 2406 OG SER A 158 -8.603 -19.725 1.690 1.00 0.00 O ATOM 0 H SER A 158 -7.399 -16.255 0.502 1.00 0.00 H new ATOM 0 HA SER A 158 -6.726 -19.040 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 158 -7.559 -17.995 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 158 -9.115 -17.753 1.349 1.00 0.00 H new ATOM 0 HG SER A 158 -9.210 -19.711 2.459 1.00 0.00 H new