USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 751 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 87 GLN : amide:sc= -2.16! C(o=-2.2!,f=-1.7!) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 74 ASN : amide:sc= -3.63! C(o=-13!,f=-12!) USER MOD Set 2.2: A 96 GLN : amide:sc= -9.01! C(o=-13!,f=-20!) USER MOD Set 3.1: A 46 THR OG1 : rot 129:sc= -0.84! USER MOD Set 3.2: A 69 GLN : amide:sc= -9.8! C(o=-19!,f=-17!) USER MOD Set 3.3: A 71 MET CE :methyl -128:sc= -8.19! (180deg=-15.9!) USER MOD Set 4.1: A 61 SER OG : rot 123:sc= 0.412 USER MOD Set 4.2: A 63 LYS NZ :NH3+ 153:sc= 1.13 (180deg=0) USER MOD Set 5.1: A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.2: B -1 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -150:sc= -0.0524 (180deg=-0.876) USER MOD Single : A 25 LYS NZ :NH3+ -102:sc= 0.13 (180deg=-2.46) USER MOD Single : A 26 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.44) USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 0.466 (180deg=-0.0551) USER MOD Single : A 38 SER OG : rot 56:sc= 1.13 USER MOD Single : A 42 SER OG : rot 90:sc= -0.0312! USER MOD Single : A 52 MET CE :methyl -171:sc= -2.06! (180deg=-2.33) USER MOD Single : A 53 MET CE :methyl -152:sc= -6.73! (180deg=-9.01!) USER MOD Single : A 54 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.44) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.56 K(o=-1.6,f=-0.088) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 88:sc= 0.418 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 86 CYS SG : rot 88:sc= -1.01 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.951 X(o=-0.95,f=-1) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.57 X(o=-0.57,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.570 -9.190 -8.789 1.00 0.00 N ATOM 2 CA GLU A 17 -14.674 -8.835 -9.884 1.00 0.00 C ATOM 3 C GLU A 17 -13.695 -7.739 -9.468 1.00 0.00 C ATOM 4 O GLU A 17 -14.078 -6.762 -8.825 1.00 0.00 O ATOM 5 CB GLU A 17 -15.481 -8.377 -11.100 1.00 0.00 C ATOM 6 CG GLU A 17 -14.819 -8.701 -12.429 1.00 0.00 C ATOM 7 CD GLU A 17 -15.799 -9.249 -13.448 1.00 0.00 C ATOM 8 OE1 GLU A 17 -16.667 -8.480 -13.911 1.00 0.00 O ATOM 9 OE2 GLU A 17 -15.696 -10.447 -13.786 1.00 0.00 O ATOM 0 HA GLU A 17 -14.099 -9.723 -10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.464 -8.846 -11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.639 -7.300 -11.036 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.351 -7.801 -12.827 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.024 -9.428 -12.267 1.00 0.00 H new ATOM 16 N PHE A 18 -12.433 -7.909 -9.848 1.00 0.00 N ATOM 17 CA PHE A 18 -11.393 -6.937 -9.525 1.00 0.00 C ATOM 18 C PHE A 18 -11.632 -5.627 -10.265 1.00 0.00 C ATOM 19 O PHE A 18 -12.210 -5.618 -11.352 1.00 0.00 O ATOM 20 CB PHE A 18 -10.018 -7.490 -9.903 1.00 0.00 C ATOM 21 CG PHE A 18 -9.281 -8.126 -8.761 1.00 0.00 C ATOM 22 CD1 PHE A 18 -8.546 -7.354 -7.875 1.00 0.00 C ATOM 23 CD2 PHE A 18 -9.316 -9.498 -8.579 1.00 0.00 C ATOM 24 CE1 PHE A 18 -7.862 -7.939 -6.828 1.00 0.00 C ATOM 25 CE2 PHE A 18 -8.632 -10.090 -7.534 1.00 0.00 C ATOM 26 CZ PHE A 18 -7.905 -9.310 -6.658 1.00 0.00 C ATOM 0 H PHE A 18 -12.104 -8.714 -10.382 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.426 -6.749 -8.452 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.140 -8.226 -10.698 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.411 -6.680 -10.308 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -8.508 -6.283 -8.005 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -9.884 -10.113 -9.261 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.294 -7.326 -6.143 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.666 -11.161 -7.403 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.370 -9.770 -5.840 1.00 0.00 H new ATOM 36 N LYS A 19 -11.179 -4.523 -9.682 1.00 0.00 N ATOM 37 CA LYS A 19 -11.346 -3.219 -10.309 1.00 0.00 C ATOM 38 C LYS A 19 -10.426 -2.174 -9.686 1.00 0.00 C ATOM 39 O LYS A 19 -10.427 -1.962 -8.472 1.00 0.00 O ATOM 40 CB LYS A 19 -12.801 -2.763 -10.212 1.00 0.00 C ATOM 41 CG LYS A 19 -13.348 -2.763 -8.798 1.00 0.00 C ATOM 42 CD LYS A 19 -14.483 -1.766 -8.647 1.00 0.00 C ATOM 43 CE LYS A 19 -13.972 -0.389 -8.257 1.00 0.00 C ATOM 44 NZ LYS A 19 -14.645 0.693 -9.029 1.00 0.00 N ATOM 0 H LYS A 19 -10.697 -4.505 -8.783 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.073 -3.322 -11.359 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.885 -1.758 -10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.418 -3.414 -10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.702 -3.762 -8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.550 -2.518 -8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.035 -1.698 -9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.183 -2.122 -7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.135 -0.230 -7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.896 -0.340 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.993 1.495 -9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.917 0.333 -9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.495 1.007 -8.518 1.00 0.00 H new ATOM 58 N ASP A 20 -9.647 -1.520 -10.540 1.00 0.00 N ATOM 59 CA ASP A 20 -8.718 -0.479 -10.108 1.00 0.00 C ATOM 60 C ASP A 20 -9.468 0.807 -9.784 1.00 0.00 C ATOM 61 O ASP A 20 -9.924 1.515 -10.683 1.00 0.00 O ATOM 62 CB ASP A 20 -7.675 -0.215 -11.196 1.00 0.00 C ATOM 63 CG ASP A 20 -8.305 0.191 -12.514 1.00 0.00 C ATOM 64 OD1 ASP A 20 -8.798 -0.700 -13.237 1.00 0.00 O ATOM 65 OD2 ASP A 20 -8.307 1.401 -12.823 1.00 0.00 O ATOM 0 H ASP A 20 -9.640 -1.694 -11.545 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.211 -0.824 -9.207 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.997 0.571 -10.863 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.074 -1.112 -11.345 1.00 0.00 H new ATOM 70 N VAL A 21 -9.595 1.103 -8.497 1.00 0.00 N ATOM 71 CA VAL A 21 -10.293 2.299 -8.051 1.00 0.00 C ATOM 72 C VAL A 21 -9.371 3.513 -8.061 1.00 0.00 C ATOM 73 O VAL A 21 -8.195 3.420 -7.708 1.00 0.00 O ATOM 74 CB VAL A 21 -10.873 2.124 -6.635 1.00 0.00 C ATOM 75 CG1 VAL A 21 -11.749 3.313 -6.261 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.659 0.823 -6.535 1.00 0.00 C ATOM 0 H VAL A 21 -9.222 0.528 -7.742 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.112 2.460 -8.752 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.044 2.078 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.149 3.169 -5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.154 4.226 -6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.572 3.396 -6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.061 0.717 -5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.479 0.837 -7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.000 -0.018 -6.753 1.00 0.00 H new ATOM 86 N PHE A 22 -9.920 4.651 -8.462 1.00 0.00 N ATOM 87 CA PHE A 22 -9.167 5.895 -8.519 1.00 0.00 C ATOM 88 C PHE A 22 -9.964 7.023 -7.875 1.00 0.00 C ATOM 89 O PHE A 22 -10.923 7.530 -8.456 1.00 0.00 O ATOM 90 CB PHE A 22 -8.843 6.247 -9.973 1.00 0.00 C ATOM 91 CG PHE A 22 -7.438 6.739 -10.178 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.380 6.154 -9.506 1.00 0.00 C ATOM 93 CD2 PHE A 22 -7.179 7.790 -11.044 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.090 6.603 -9.695 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.889 8.242 -11.236 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.844 7.646 -10.558 1.00 0.00 C ATOM 0 H PHE A 22 -10.893 4.738 -8.755 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.234 5.765 -7.970 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.004 5.367 -10.595 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.540 7.012 -10.316 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.566 5.336 -8.826 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.995 8.260 -11.574 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.273 6.136 -9.166 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.697 9.060 -11.915 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.834 7.998 -10.705 1.00 0.00 H new ATOM 106 N ILE A 23 -9.570 7.405 -6.667 1.00 0.00 N ATOM 107 CA ILE A 23 -10.258 8.465 -5.943 1.00 0.00 C ATOM 108 C ILE A 23 -9.431 9.747 -5.921 1.00 0.00 C ATOM 109 O ILE A 23 -8.516 9.894 -5.112 1.00 0.00 O ATOM 110 CB ILE A 23 -10.575 8.035 -4.497 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.406 6.749 -4.500 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.303 9.149 -3.750 1.00 0.00 C ATOM 113 CD1 ILE A 23 -12.858 6.958 -4.877 1.00 0.00 C ATOM 0 H ILE A 23 -8.779 6.997 -6.169 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.193 8.657 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.637 7.840 -3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.958 6.040 -5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.359 6.296 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.517 8.825 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.675 10.040 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.238 9.380 -4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.381 6.002 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.324 7.641 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.916 7.382 -5.880 1.00 0.00 H new ATOM 125 N GLU A 24 -9.772 10.676 -6.806 1.00 0.00 N ATOM 126 CA GLU A 24 -9.074 11.953 -6.880 1.00 0.00 C ATOM 127 C GLU A 24 -9.679 12.937 -5.885 1.00 0.00 C ATOM 128 O GLU A 24 -10.809 13.394 -6.061 1.00 0.00 O ATOM 129 CB GLU A 24 -9.158 12.526 -8.296 1.00 0.00 C ATOM 130 CG GLU A 24 -8.461 11.671 -9.341 1.00 0.00 C ATOM 131 CD GLU A 24 -8.936 11.970 -10.750 1.00 0.00 C ATOM 132 OE1 GLU A 24 -9.183 13.156 -11.054 1.00 0.00 O ATOM 133 OE2 GLU A 24 -9.063 11.018 -11.547 1.00 0.00 O ATOM 0 H GLU A 24 -10.528 10.569 -7.482 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.026 11.791 -6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.207 12.639 -8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.718 13.523 -8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.385 11.836 -9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.635 10.618 -9.119 1.00 0.00 H new ATOM 140 N LYS A 25 -8.931 13.246 -4.833 1.00 0.00 N ATOM 141 CA LYS A 25 -9.410 14.163 -3.807 1.00 0.00 C ATOM 142 C LYS A 25 -8.293 15.084 -3.327 1.00 0.00 C ATOM 143 O LYS A 25 -7.196 15.086 -3.884 1.00 0.00 O ATOM 144 CB LYS A 25 -9.982 13.375 -2.626 1.00 0.00 C ATOM 145 CG LYS A 25 -9.112 12.203 -2.199 1.00 0.00 C ATOM 146 CD LYS A 25 -8.490 12.434 -0.831 1.00 0.00 C ATOM 147 CE LYS A 25 -7.643 11.249 -0.397 1.00 0.00 C ATOM 148 NZ LYS A 25 -7.042 11.460 0.949 1.00 0.00 N ATOM 0 H LYS A 25 -7.994 12.877 -4.668 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.195 14.780 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.111 14.049 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.972 13.004 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.712 11.293 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.324 12.047 -2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.874 13.333 -0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.277 12.608 -0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.258 10.349 -0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.850 11.083 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.043 11.728 0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.554 12.219 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.109 10.581 1.501 1.00 0.00 H new ATOM 162 N GLN A 26 -8.580 15.861 -2.289 1.00 0.00 N ATOM 163 CA GLN A 26 -7.600 16.781 -1.732 1.00 0.00 C ATOM 164 C GLN A 26 -7.066 16.251 -0.408 1.00 0.00 C ATOM 165 O GLN A 26 -7.602 15.293 0.150 1.00 0.00 O ATOM 166 CB GLN A 26 -8.224 18.164 -1.527 1.00 0.00 C ATOM 167 CG GLN A 26 -8.100 19.072 -2.741 1.00 0.00 C ATOM 168 CD GLN A 26 -9.329 19.029 -3.627 1.00 0.00 C ATOM 169 OE1 GLN A 26 -10.461 19.059 -3.143 1.00 0.00 O ATOM 170 NE2 GLN A 26 -9.112 18.958 -4.935 1.00 0.00 N ATOM 0 H GLN A 26 -9.484 15.871 -1.817 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.772 16.868 -2.435 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.279 18.045 -1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.748 18.646 -0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.932 20.096 -2.409 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.226 18.778 -3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.157 18.935 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.900 18.926 -5.582 1.00 0.00 H new ATOM 179 N LYS A 27 -6.009 16.877 0.092 1.00 0.00 N ATOM 180 CA LYS A 27 -5.408 16.461 1.352 1.00 0.00 C ATOM 181 C LYS A 27 -6.372 16.693 2.505 1.00 0.00 C ATOM 182 O LYS A 27 -7.285 17.514 2.412 1.00 0.00 O ATOM 183 CB LYS A 27 -4.100 17.216 1.603 1.00 0.00 C ATOM 184 CG LYS A 27 -3.289 17.463 0.341 1.00 0.00 C ATOM 185 CD LYS A 27 -1.860 16.961 0.481 1.00 0.00 C ATOM 186 CE LYS A 27 -1.412 16.218 -0.765 1.00 0.00 C ATOM 187 NZ LYS A 27 0.072 16.137 -0.862 1.00 0.00 N ATOM 0 H LYS A 27 -5.551 17.672 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.188 15.395 1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.327 18.173 2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.493 16.650 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.768 16.965 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.279 18.530 0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.193 17.803 0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.787 16.302 1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.830 15.212 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.806 16.720 -1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.357 16.179 -1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.498 16.934 -0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.399 15.241 -0.446 1.00 0.00 H new ATOM 201 N GLY A 28 -6.167 15.958 3.587 1.00 0.00 N ATOM 202 CA GLY A 28 -7.032 16.091 4.741 1.00 0.00 C ATOM 203 C GLY A 28 -8.422 15.536 4.492 1.00 0.00 C ATOM 204 O GLY A 28 -9.325 15.725 5.305 1.00 0.00 O ATOM 0 H GLY A 28 -5.418 15.273 3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.584 15.573 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.108 17.143 5.015 1.00 0.00 H new ATOM 208 N GLU A 29 -8.596 14.838 3.368 1.00 0.00 N ATOM 209 CA GLU A 29 -9.883 14.249 3.032 1.00 0.00 C ATOM 210 C GLU A 29 -9.751 12.742 2.898 1.00 0.00 C ATOM 211 O GLU A 29 -10.458 12.112 2.112 1.00 0.00 O ATOM 212 CB GLU A 29 -10.433 14.854 1.737 1.00 0.00 C ATOM 213 CG GLU A 29 -11.444 15.964 1.968 1.00 0.00 C ATOM 214 CD GLU A 29 -11.673 16.810 0.730 1.00 0.00 C ATOM 215 OE1 GLU A 29 -10.796 17.641 0.409 1.00 0.00 O ATOM 216 OE2 GLU A 29 -12.727 16.642 0.082 1.00 0.00 O ATOM 0 H GLU A 29 -7.861 14.670 2.681 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.584 14.469 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.604 15.245 1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.900 14.066 1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.391 15.528 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.098 16.602 2.781 1.00 0.00 H new ATOM 223 N ILE A 30 -8.833 12.187 3.689 1.00 0.00 N ATOM 224 CA ILE A 30 -8.549 10.745 3.726 1.00 0.00 C ATOM 225 C ILE A 30 -9.314 9.956 2.665 1.00 0.00 C ATOM 226 O ILE A 30 -8.751 9.535 1.656 1.00 0.00 O ATOM 227 CB ILE A 30 -8.863 10.143 5.112 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.981 10.918 5.810 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.616 10.120 5.979 1.00 0.00 C ATOM 230 CD1 ILE A 30 -10.973 10.020 6.503 1.00 0.00 C ATOM 0 H ILE A 30 -8.256 12.730 4.332 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.483 10.657 3.514 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.204 9.119 4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.543 11.599 6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.504 11.531 5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.857 9.692 6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.849 9.515 5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.246 11.137 6.111 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.742 10.627 6.980 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.436 9.357 5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.460 9.426 7.259 1.00 0.00 H new ATOM 242 N LEU A 31 -10.602 9.762 2.916 1.00 0.00 N ATOM 243 CA LEU A 31 -11.478 9.023 2.010 1.00 0.00 C ATOM 244 C LEU A 31 -12.833 8.799 2.669 1.00 0.00 C ATOM 245 O LEU A 31 -13.880 8.958 2.041 1.00 0.00 O ATOM 246 CB LEU A 31 -10.858 7.673 1.627 1.00 0.00 C ATOM 247 CG LEU A 31 -10.903 7.343 0.133 1.00 0.00 C ATOM 248 CD1 LEU A 31 -10.054 8.325 -0.656 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.437 5.916 -0.109 1.00 0.00 C ATOM 0 H LEU A 31 -11.071 10.111 3.752 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.607 9.612 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.819 7.661 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.375 6.884 2.174 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.934 7.431 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.098 8.075 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.433 9.336 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.021 8.270 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.475 5.697 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.414 5.802 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.088 5.225 0.427 1.00 0.00 H new ATOM 261 N GLY A 32 -12.795 8.436 3.946 1.00 0.00 N ATOM 262 CA GLY A 32 -14.016 8.200 4.692 1.00 0.00 C ATOM 263 C GLY A 32 -14.584 6.809 4.486 1.00 0.00 C ATOM 264 O GLY A 32 -15.697 6.660 3.980 1.00 0.00 O ATOM 0 H GLY A 32 -11.936 8.301 4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.820 8.352 5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.762 8.937 4.397 1.00 0.00 H new ATOM 268 N VAL A 33 -13.831 5.786 4.885 1.00 0.00 N ATOM 269 CA VAL A 33 -14.298 4.408 4.742 1.00 0.00 C ATOM 270 C VAL A 33 -13.808 3.524 5.886 1.00 0.00 C ATOM 271 O VAL A 33 -12.794 3.813 6.522 1.00 0.00 O ATOM 272 CB VAL A 33 -13.894 3.786 3.377 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.747 4.866 2.314 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.613 2.964 3.480 1.00 0.00 C ATOM 0 H VAL A 33 -12.906 5.882 5.305 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.386 4.453 4.780 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.696 3.109 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.464 4.408 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.695 5.390 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.977 5.574 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.368 2.548 2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.797 3.603 3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.758 2.153 4.194 1.00 0.00 H new ATOM 284 N VAL A 34 -14.537 2.440 6.135 1.00 0.00 N ATOM 285 CA VAL A 34 -14.184 1.502 7.193 1.00 0.00 C ATOM 286 C VAL A 34 -13.922 0.116 6.621 1.00 0.00 C ATOM 287 O VAL A 34 -14.702 -0.392 5.815 1.00 0.00 O ATOM 288 CB VAL A 34 -15.291 1.406 8.258 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.847 0.527 9.418 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.677 2.794 8.744 1.00 0.00 C ATOM 0 H VAL A 34 -15.379 2.190 5.616 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.277 1.880 7.664 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.169 0.945 7.806 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.644 0.473 10.159 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.624 -0.475 9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.954 0.953 9.876 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.461 2.711 9.497 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.805 3.282 9.180 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.042 3.385 7.904 1.00 0.00 H new ATOM 300 N ILE A 35 -12.815 -0.488 7.035 1.00 0.00 N ATOM 301 CA ILE A 35 -12.445 -1.811 6.557 1.00 0.00 C ATOM 302 C ILE A 35 -12.411 -2.830 7.692 1.00 0.00 C ATOM 303 O ILE A 35 -12.243 -2.473 8.859 1.00 0.00 O ATOM 304 CB ILE A 35 -11.078 -1.796 5.853 1.00 0.00 C ATOM 305 CG1 ILE A 35 -10.170 -0.722 6.444 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.258 -1.583 4.357 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.705 -1.032 6.266 1.00 0.00 C ATOM 0 H ILE A 35 -12.159 -0.081 7.701 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.212 -2.104 5.840 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.600 -2.763 6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.394 0.235 5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.387 -0.614 7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.283 -1.574 3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.862 -2.391 3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.759 -0.631 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.108 -0.233 6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.470 -1.975 6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.477 -1.112 5.203 1.00 0.00 H new ATOM 319 N VAL A 36 -12.573 -4.101 7.338 1.00 0.00 N ATOM 320 CA VAL A 36 -12.562 -5.181 8.316 1.00 0.00 C ATOM 321 C VAL A 36 -11.996 -6.460 7.705 1.00 0.00 C ATOM 322 O VAL A 36 -11.869 -6.570 6.490 1.00 0.00 O ATOM 323 CB VAL A 36 -13.978 -5.466 8.854 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.524 -4.253 9.591 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.910 -5.873 7.721 1.00 0.00 C ATOM 0 H VAL A 36 -12.714 -4.408 6.376 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.927 -4.859 9.142 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.917 -6.295 9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.524 -4.473 9.963 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.870 -4.011 10.429 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.570 -3.403 8.910 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.905 -6.070 8.121 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.966 -5.067 6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.527 -6.774 7.241 1.00 0.00 H new ATOM 335 N GLU A 37 -11.655 -7.426 8.548 1.00 0.00 N ATOM 336 CA GLU A 37 -11.105 -8.688 8.068 1.00 0.00 C ATOM 337 C GLU A 37 -12.091 -9.399 7.145 1.00 0.00 C ATOM 338 O GLU A 37 -13.272 -9.536 7.466 1.00 0.00 O ATOM 339 CB GLU A 37 -10.740 -9.594 9.245 1.00 0.00 C ATOM 340 CG GLU A 37 -9.681 -9.002 10.161 1.00 0.00 C ATOM 341 CD GLU A 37 -9.823 -9.472 11.595 1.00 0.00 C ATOM 342 OE1 GLU A 37 -10.953 -9.428 12.125 1.00 0.00 O ATOM 343 OE2 GLU A 37 -8.804 -9.884 12.189 1.00 0.00 O ATOM 0 H GLU A 37 -11.749 -7.361 9.562 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.202 -8.466 7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.638 -9.800 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.383 -10.550 8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.692 -9.272 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.746 -7.914 10.131 1.00 0.00 H new ATOM 350 N SER A 38 -11.595 -9.847 5.994 1.00 0.00 N ATOM 351 CA SER A 38 -12.425 -10.541 5.015 1.00 0.00 C ATOM 352 C SER A 38 -12.853 -11.915 5.522 1.00 0.00 C ATOM 353 O SER A 38 -12.224 -12.926 5.209 1.00 0.00 O ATOM 354 CB SER A 38 -11.670 -10.686 3.693 1.00 0.00 C ATOM 355 OG SER A 38 -10.568 -11.566 3.828 1.00 0.00 O ATOM 0 H SER A 38 -10.619 -9.741 5.717 1.00 0.00 H new ATOM 0 HA SER A 38 -13.323 -9.944 4.856 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.346 -11.060 2.924 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.320 -9.708 3.362 1.00 0.00 H new ATOM 0 HG SER A 38 -10.881 -12.433 4.161 1.00 0.00 H new ATOM 361 N GLY A 39 -13.928 -11.946 6.305 1.00 0.00 N ATOM 362 CA GLY A 39 -14.421 -13.205 6.840 1.00 0.00 C ATOM 363 C GLY A 39 -15.314 -13.954 5.867 1.00 0.00 C ATOM 364 O GLY A 39 -15.777 -15.054 6.166 1.00 0.00 O ATOM 0 H GLY A 39 -14.466 -11.124 6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.574 -13.837 7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.976 -13.011 7.758 1.00 0.00 H new ATOM 368 N TRP A 40 -15.540 -13.365 4.700 1.00 0.00 N ATOM 369 CA TRP A 40 -16.361 -13.982 3.665 1.00 0.00 C ATOM 370 C TRP A 40 -15.822 -15.372 3.311 1.00 0.00 C ATOM 371 O TRP A 40 -15.021 -15.940 4.052 1.00 0.00 O ATOM 372 CB TRP A 40 -16.349 -13.093 2.423 1.00 0.00 C ATOM 373 CG TRP A 40 -14.978 -12.940 1.840 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.786 -13.140 2.481 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.653 -12.556 0.503 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.746 -12.912 1.620 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.250 -12.551 0.401 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.411 -12.218 -0.619 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.589 -12.223 -0.771 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -14.753 -11.888 -1.790 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.354 -11.894 -1.859 1.00 0.00 C ATOM 0 H TRP A 40 -15.163 -12.452 4.445 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.381 -14.090 4.034 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.015 -13.516 1.671 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.743 -12.110 2.680 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.681 -13.435 3.515 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.756 -12.998 1.850 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.490 -12.214 -0.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.510 -12.226 -0.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.327 -11.621 -2.665 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -12.869 -11.634 -2.788 1.00 0.00 H new ATOM 392 N GLY A 41 -16.244 -15.907 2.168 1.00 0.00 N ATOM 393 CA GLY A 41 -15.763 -17.214 1.746 1.00 0.00 C ATOM 394 C GLY A 41 -14.249 -17.303 1.801 1.00 0.00 C ATOM 395 O GLY A 41 -13.684 -18.387 1.947 1.00 0.00 O ATOM 0 H GLY A 41 -16.905 -15.464 1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -16.196 -17.984 2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -16.102 -17.415 0.730 1.00 0.00 H new ATOM 399 N SER A 42 -13.597 -16.146 1.688 1.00 0.00 N ATOM 400 CA SER A 42 -12.141 -16.047 1.727 1.00 0.00 C ATOM 401 C SER A 42 -11.530 -16.341 0.375 1.00 0.00 C ATOM 402 O SER A 42 -10.778 -17.299 0.199 1.00 0.00 O ATOM 403 CB SER A 42 -11.535 -16.961 2.790 1.00 0.00 C ATOM 404 OG SER A 42 -12.465 -17.248 3.819 1.00 0.00 O ATOM 0 H SER A 42 -14.067 -15.249 1.566 1.00 0.00 H new ATOM 0 HA SER A 42 -11.906 -15.017 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.205 -17.891 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.652 -16.487 3.218 1.00 0.00 H new ATOM 0 HG SER A 42 -12.975 -18.052 3.585 1.00 0.00 H new ATOM 410 N ILE A 43 -11.847 -15.480 -0.569 1.00 0.00 N ATOM 411 CA ILE A 43 -11.336 -15.583 -1.914 1.00 0.00 C ATOM 412 C ILE A 43 -9.948 -14.956 -1.990 1.00 0.00 C ATOM 413 O ILE A 43 -9.088 -15.387 -2.757 1.00 0.00 O ATOM 414 CB ILE A 43 -12.271 -14.866 -2.882 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.699 -15.370 -2.691 1.00 0.00 C ATOM 416 CG2 ILE A 43 -11.809 -15.066 -4.303 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.695 -14.700 -3.600 1.00 0.00 C ATOM 0 H ILE A 43 -12.470 -14.686 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.273 -16.636 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.253 -13.796 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.724 -16.445 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.998 -15.209 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.486 -14.548 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.802 -14.664 -4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.804 -16.130 -4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.689 -15.105 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.698 -13.627 -3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.420 -14.882 -4.639 1.00 0.00 H new ATOM 429 N LEU A 44 -9.755 -13.936 -1.161 1.00 0.00 N ATOM 430 CA LEU A 44 -8.499 -13.211 -1.071 1.00 0.00 C ATOM 431 C LEU A 44 -8.411 -12.546 0.303 1.00 0.00 C ATOM 432 O LEU A 44 -9.052 -11.523 0.539 1.00 0.00 O ATOM 433 CB LEU A 44 -8.412 -12.152 -2.172 1.00 0.00 C ATOM 434 CG LEU A 44 -8.503 -12.690 -3.601 1.00 0.00 C ATOM 435 CD1 LEU A 44 -8.521 -11.547 -4.601 1.00 0.00 C ATOM 436 CD2 LEU A 44 -7.348 -13.638 -3.891 1.00 0.00 C ATOM 0 H LEU A 44 -10.475 -13.588 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.669 -13.906 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.213 -11.428 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.471 -11.614 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.435 -13.246 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.586 -11.949 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.383 -10.909 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.607 -10.962 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.430 -14.010 -4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.403 -13.107 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.382 -14.477 -3.195 1.00 0.00 H new ATOM 448 N PRO A 45 -7.647 -13.133 1.241 1.00 0.00 N ATOM 449 CA PRO A 45 -7.519 -12.601 2.602 1.00 0.00 C ATOM 450 C PRO A 45 -7.135 -11.125 2.641 1.00 0.00 C ATOM 451 O PRO A 45 -5.965 -10.781 2.803 1.00 0.00 O ATOM 452 CB PRO A 45 -6.413 -13.461 3.237 1.00 0.00 C ATOM 453 CG PRO A 45 -5.803 -14.234 2.114 1.00 0.00 C ATOM 454 CD PRO A 45 -6.872 -14.370 1.070 1.00 0.00 C ATOM 0 HA PRO A 45 -8.471 -12.650 3.130 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.669 -12.837 3.732 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.823 -14.129 3.994 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.931 -13.716 1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.464 -15.213 2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.452 -14.450 0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.484 -15.257 1.230 1.00 0.00 H new ATOM 462 N THR A 46 -8.135 -10.256 2.510 1.00 0.00 N ATOM 463 CA THR A 46 -7.913 -8.814 2.547 1.00 0.00 C ATOM 464 C THR A 46 -8.942 -8.148 3.465 1.00 0.00 C ATOM 465 O THR A 46 -9.506 -8.803 4.344 1.00 0.00 O ATOM 466 CB THR A 46 -7.976 -8.213 1.132 1.00 0.00 C ATOM 467 OG1 THR A 46 -9.262 -7.687 0.857 1.00 0.00 O ATOM 468 CG2 THR A 46 -7.645 -9.198 0.031 1.00 0.00 C ATOM 0 H THR A 46 -9.109 -10.527 2.377 1.00 0.00 H new ATOM 0 HA THR A 46 -6.916 -8.627 2.945 1.00 0.00 H new ATOM 0 HB THR A 46 -7.218 -7.430 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.176 -6.771 0.520 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.711 -8.699 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.634 -9.578 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.352 -10.027 0.060 1.00 0.00 H new ATOM 476 N VAL A 47 -9.184 -6.854 3.272 1.00 0.00 N ATOM 477 CA VAL A 47 -10.144 -6.130 4.102 1.00 0.00 C ATOM 478 C VAL A 47 -11.442 -5.848 3.347 1.00 0.00 C ATOM 479 O VAL A 47 -11.453 -5.757 2.120 1.00 0.00 O ATOM 480 CB VAL A 47 -9.565 -4.801 4.619 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.702 -5.038 5.850 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.774 -4.094 3.529 1.00 0.00 C ATOM 0 H VAL A 47 -8.732 -6.288 2.554 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.359 -6.777 4.952 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.395 -4.154 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.301 -4.087 6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.306 -5.490 6.636 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.880 -5.706 5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.375 -3.157 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.952 -4.732 3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.428 -3.886 2.682 1.00 0.00 H new ATOM 492 N ILE A 48 -12.537 -5.714 4.095 1.00 0.00 N ATOM 493 CA ILE A 48 -13.850 -5.454 3.507 1.00 0.00 C ATOM 494 C ILE A 48 -14.398 -4.096 3.925 1.00 0.00 C ATOM 495 O ILE A 48 -14.411 -3.763 5.109 1.00 0.00 O ATOM 496 CB ILE A 48 -14.895 -6.517 3.928 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.248 -7.687 4.665 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.660 -7.022 2.722 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.258 -8.682 5.194 1.00 0.00 C ATOM 0 H ILE A 48 -12.540 -5.782 5.113 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.695 -5.485 2.429 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.590 -6.033 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.560 -8.198 3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.655 -7.303 5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.389 -7.768 3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.177 -6.190 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.965 -7.472 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.738 -9.490 5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.930 -8.182 5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.835 -9.091 4.364 1.00 0.00 H new ATOM 511 N ILE A 49 -14.894 -3.332 2.956 1.00 0.00 N ATOM 512 CA ILE A 49 -15.486 -2.049 3.245 1.00 0.00 C ATOM 513 C ILE A 49 -16.788 -2.265 3.986 1.00 0.00 C ATOM 514 O ILE A 49 -17.847 -2.440 3.386 1.00 0.00 O ATOM 515 CB ILE A 49 -15.738 -1.260 1.960 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.441 -1.153 1.168 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.289 0.115 2.281 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.586 -0.391 -0.122 1.00 0.00 C ATOM 0 H ILE A 49 -14.893 -3.587 1.968 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.798 -1.471 3.862 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.479 -1.784 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.687 -0.666 1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.075 -2.156 0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.462 0.663 1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.229 0.013 2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.572 0.660 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.624 -0.354 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.317 -0.890 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.923 0.624 0.091 1.00 0.00 H new ATOM 530 N ALA A 50 -16.680 -2.297 5.299 1.00 0.00 N ATOM 531 CA ALA A 50 -17.817 -2.539 6.160 1.00 0.00 C ATOM 532 C ALA A 50 -18.575 -1.257 6.487 1.00 0.00 C ATOM 533 O ALA A 50 -19.681 -1.304 7.025 1.00 0.00 O ATOM 534 CB ALA A 50 -17.335 -3.223 7.422 1.00 0.00 C ATOM 0 H ALA A 50 -15.801 -2.156 5.798 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.521 -3.184 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.183 -3.411 8.080 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.859 -4.169 7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.616 -2.582 7.931 1.00 0.00 H new ATOM 540 N ASN A 51 -17.988 -0.112 6.157 1.00 0.00 N ATOM 541 CA ASN A 51 -18.636 1.166 6.423 1.00 0.00 C ATOM 542 C ASN A 51 -18.023 2.284 5.588 1.00 0.00 C ATOM 543 O ASN A 51 -16.901 2.166 5.098 1.00 0.00 O ATOM 544 CB ASN A 51 -18.550 1.509 7.912 1.00 0.00 C ATOM 545 CG ASN A 51 -19.916 1.641 8.555 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.594 2.657 8.398 1.00 0.00 O ATOM 547 ND2 ASN A 51 -20.327 0.613 9.288 1.00 0.00 N ATOM 0 H ASN A 51 -17.074 -0.042 5.709 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.685 1.072 6.141 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.982 0.735 8.428 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -18.002 2.443 8.036 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -21.237 0.646 9.748 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.733 -0.210 9.391 1.00 0.00 H new ATOM 554 N MET A 52 -18.775 3.370 5.432 1.00 0.00 N ATOM 555 CA MET A 52 -18.317 4.514 4.657 1.00 0.00 C ATOM 556 C MET A 52 -18.902 5.811 5.203 1.00 0.00 C ATOM 557 O MET A 52 -20.091 5.885 5.515 1.00 0.00 O ATOM 558 CB MET A 52 -18.701 4.342 3.186 1.00 0.00 C ATOM 559 CG MET A 52 -17.939 5.260 2.244 1.00 0.00 C ATOM 560 SD MET A 52 -18.651 5.301 0.587 1.00 0.00 S ATOM 561 CE MET A 52 -19.067 3.575 0.351 1.00 0.00 C ATOM 0 H MET A 52 -19.706 3.480 5.834 1.00 0.00 H new ATOM 0 HA MET A 52 -17.231 4.568 4.738 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.525 3.307 2.892 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.769 4.527 3.074 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.929 6.269 2.656 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.902 4.930 2.182 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.368 3.412 -0.684 1.00 0.00 H new ATOM 0 HE2 MET A 52 -18.198 2.957 0.578 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.888 3.305 1.015 1.00 0.00 H new ATOM 571 N MET A 53 -18.059 6.833 5.319 1.00 0.00 N ATOM 572 CA MET A 53 -18.488 8.131 5.831 1.00 0.00 C ATOM 573 C MET A 53 -19.718 8.638 5.083 1.00 0.00 C ATOM 574 O MET A 53 -20.513 9.404 5.627 1.00 0.00 O ATOM 575 CB MET A 53 -17.352 9.149 5.714 1.00 0.00 C ATOM 576 CG MET A 53 -16.401 9.139 6.900 1.00 0.00 C ATOM 577 SD MET A 53 -15.693 10.764 7.236 1.00 0.00 S ATOM 578 CE MET A 53 -13.945 10.422 7.035 1.00 0.00 C ATOM 0 H MET A 53 -17.072 6.787 5.065 1.00 0.00 H new ATOM 0 HA MET A 53 -18.752 8.007 6.881 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.787 8.947 4.804 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.779 10.147 5.610 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.933 8.789 7.785 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.596 8.429 6.710 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.367 11.107 7.654 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.738 9.396 7.339 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.666 10.554 5.990 1.00 0.00 H new ATOM 588 N HIS A 54 -19.867 8.209 3.834 1.00 0.00 N ATOM 589 CA HIS A 54 -21.000 8.622 3.014 1.00 0.00 C ATOM 590 C HIS A 54 -21.035 10.141 2.869 1.00 0.00 C ATOM 591 O HIS A 54 -22.042 10.782 3.171 1.00 0.00 O ATOM 592 CB HIS A 54 -22.310 8.123 3.629 1.00 0.00 C ATOM 593 CG HIS A 54 -23.502 8.336 2.749 1.00 0.00 C ATOM 594 ND1 HIS A 54 -23.948 7.396 1.845 1.00 0.00 N ATOM 595 CD2 HIS A 54 -24.346 9.389 2.640 1.00 0.00 C ATOM 596 CE1 HIS A 54 -25.013 7.861 1.217 1.00 0.00 C ATOM 597 NE2 HIS A 54 -25.275 9.069 1.681 1.00 0.00 N ATOM 0 H HIS A 54 -19.218 7.576 3.368 1.00 0.00 H new ATOM 0 HA HIS A 54 -20.884 8.182 2.024 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.217 7.060 3.850 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -22.474 8.633 4.579 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -24.298 10.310 3.203 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -25.574 7.342 0.454 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -26.043 9.667 1.376 1.00 0.00 H new ATOM 606 N GLY A 55 -19.928 10.710 2.406 1.00 0.00 N ATOM 607 CA GLY A 55 -19.851 12.147 2.232 1.00 0.00 C ATOM 608 C GLY A 55 -18.511 12.586 1.676 1.00 0.00 C ATOM 609 O GLY A 55 -18.438 13.507 0.864 1.00 0.00 O ATOM 0 H GLY A 55 -19.082 10.201 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.645 12.473 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.023 12.637 3.190 1.00 0.00 H new ATOM 613 N GLY A 56 -17.449 11.917 2.112 1.00 0.00 N ATOM 614 CA GLY A 56 -16.122 12.251 1.638 1.00 0.00 C ATOM 615 C GLY A 56 -15.950 11.935 0.164 1.00 0.00 C ATOM 616 O GLY A 56 -16.933 11.693 -0.534 1.00 0.00 O ATOM 0 H GLY A 56 -17.485 11.151 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.933 13.311 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.381 11.699 2.216 1.00 0.00 H new ATOM 620 N PRO A 57 -14.709 11.924 -0.342 1.00 0.00 N ATOM 621 CA PRO A 57 -14.441 11.625 -1.750 1.00 0.00 C ATOM 622 C PRO A 57 -14.726 10.166 -2.092 1.00 0.00 C ATOM 623 O PRO A 57 -14.862 9.811 -3.264 1.00 0.00 O ATOM 624 CB PRO A 57 -12.952 11.936 -1.907 1.00 0.00 C ATOM 625 CG PRO A 57 -12.384 11.774 -0.538 1.00 0.00 C ATOM 626 CD PRO A 57 -13.471 12.193 0.414 1.00 0.00 C ATOM 0 HA PRO A 57 -15.078 12.204 -2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.478 11.256 -2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.796 12.947 -2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.085 10.741 -0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.494 12.390 -0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.435 11.622 1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.385 13.246 0.684 1.00 0.00 H new ATOM 634 N ALA A 58 -14.821 9.325 -1.066 1.00 0.00 N ATOM 635 CA ALA A 58 -15.097 7.912 -1.264 1.00 0.00 C ATOM 636 C ALA A 58 -16.518 7.713 -1.774 1.00 0.00 C ATOM 637 O ALA A 58 -16.755 6.943 -2.706 1.00 0.00 O ATOM 638 CB ALA A 58 -14.882 7.145 0.031 1.00 0.00 C ATOM 0 H ALA A 58 -14.710 9.601 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.406 7.525 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.093 6.088 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.848 7.263 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.551 7.533 0.799 1.00 0.00 H new ATOM 644 N GLU A 59 -17.458 8.420 -1.158 1.00 0.00 N ATOM 645 CA GLU A 59 -18.859 8.336 -1.544 1.00 0.00 C ATOM 646 C GLU A 59 -19.112 9.133 -2.820 1.00 0.00 C ATOM 647 O GLU A 59 -19.871 8.709 -3.691 1.00 0.00 O ATOM 648 CB GLU A 59 -19.749 8.861 -0.415 1.00 0.00 C ATOM 649 CG GLU A 59 -21.233 8.799 -0.728 1.00 0.00 C ATOM 650 CD GLU A 59 -21.790 10.133 -1.184 1.00 0.00 C ATOM 651 OE1 GLU A 59 -21.304 10.661 -2.207 1.00 0.00 O ATOM 652 OE2 GLU A 59 -22.711 10.651 -0.520 1.00 0.00 O ATOM 0 H GLU A 59 -17.273 9.060 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.103 7.290 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.553 8.284 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -19.475 9.894 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.406 8.053 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.774 8.468 0.159 1.00 0.00 H new ATOM 659 N LYS A 60 -18.469 10.292 -2.921 1.00 0.00 N ATOM 660 CA LYS A 60 -18.617 11.155 -4.083 1.00 0.00 C ATOM 661 C LYS A 60 -18.216 10.426 -5.362 1.00 0.00 C ATOM 662 O LYS A 60 -18.931 10.468 -6.364 1.00 0.00 O ATOM 663 CB LYS A 60 -17.771 12.418 -3.916 1.00 0.00 C ATOM 664 CG LYS A 60 -18.317 13.382 -2.875 1.00 0.00 C ATOM 665 CD LYS A 60 -17.603 14.722 -2.928 1.00 0.00 C ATOM 666 CE LYS A 60 -17.998 15.610 -1.759 1.00 0.00 C ATOM 667 NZ LYS A 60 -16.877 16.487 -1.323 1.00 0.00 N ATOM 0 H LYS A 60 -17.838 10.655 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.667 11.435 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.757 12.132 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.706 12.931 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.384 13.531 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.205 12.948 -1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.525 14.562 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.841 15.225 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.851 16.226 -2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.318 14.988 -0.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.188 17.076 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.071 15.899 -1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.588 17.099 -2.113 1.00 0.00 H new ATOM 681 N SER A 61 -17.068 9.758 -5.318 1.00 0.00 N ATOM 682 CA SER A 61 -16.568 9.017 -6.471 1.00 0.00 C ATOM 683 C SER A 61 -17.539 7.914 -6.877 1.00 0.00 C ATOM 684 O SER A 61 -18.087 7.929 -7.980 1.00 0.00 O ATOM 685 CB SER A 61 -15.196 8.416 -6.157 1.00 0.00 C ATOM 686 OG SER A 61 -14.181 9.024 -6.938 1.00 0.00 O ATOM 0 H SER A 61 -16.466 9.714 -4.496 1.00 0.00 H new ATOM 0 HA SER A 61 -16.473 9.713 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.972 8.547 -5.098 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.213 7.343 -6.349 1.00 0.00 H new ATOM 0 HG SER A 61 -13.497 9.403 -6.348 1.00 0.00 H new ATOM 692 N GLY A 62 -17.746 6.957 -5.980 1.00 0.00 N ATOM 693 CA GLY A 62 -18.646 5.856 -6.265 1.00 0.00 C ATOM 694 C GLY A 62 -17.904 4.557 -6.518 1.00 0.00 C ATOM 695 O GLY A 62 -18.463 3.473 -6.351 1.00 0.00 O ATOM 0 H GLY A 62 -17.306 6.924 -5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.331 5.723 -5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.252 6.101 -7.137 1.00 0.00 H new ATOM 699 N LYS A 63 -16.641 4.668 -6.921 1.00 0.00 N ATOM 700 CA LYS A 63 -15.820 3.495 -7.195 1.00 0.00 C ATOM 701 C LYS A 63 -15.748 2.583 -5.975 1.00 0.00 C ATOM 702 O LYS A 63 -15.732 1.359 -6.102 1.00 0.00 O ATOM 703 CB LYS A 63 -14.409 3.918 -7.608 1.00 0.00 C ATOM 704 CG LYS A 63 -14.362 4.663 -8.934 1.00 0.00 C ATOM 705 CD LYS A 63 -13.786 6.062 -8.776 1.00 0.00 C ATOM 706 CE LYS A 63 -14.794 7.122 -9.178 1.00 0.00 C ATOM 707 NZ LYS A 63 -14.135 8.400 -9.570 1.00 0.00 N ATOM 0 H LYS A 63 -16.165 5.559 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.283 2.944 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.986 4.552 -6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.778 3.032 -7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.759 4.100 -9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.367 4.729 -9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.484 6.218 -7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.889 6.159 -9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.395 6.754 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.477 7.306 -8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.743 8.913 -10.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.981 8.985 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.220 8.195 -10.020 1.00 0.00 H new ATOM 721 N LEU A 64 -15.705 3.191 -4.794 1.00 0.00 N ATOM 722 CA LEU A 64 -15.634 2.435 -3.549 1.00 0.00 C ATOM 723 C LEU A 64 -17.000 2.360 -2.877 1.00 0.00 C ATOM 724 O LEU A 64 -17.464 3.331 -2.279 1.00 0.00 O ATOM 725 CB LEU A 64 -14.617 3.070 -2.600 1.00 0.00 C ATOM 726 CG LEU A 64 -13.186 3.124 -3.132 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.376 4.172 -2.384 1.00 0.00 C ATOM 728 CD2 LEU A 64 -12.526 1.758 -3.024 1.00 0.00 C ATOM 0 H LEU A 64 -15.718 4.204 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.313 1.421 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -14.942 4.085 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.620 2.513 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.220 3.406 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.360 4.195 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.838 5.150 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.349 3.922 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.507 1.815 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.504 1.446 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.093 1.033 -3.607 1.00 0.00 H new ATOM 740 N ASN A 65 -17.634 1.199 -2.978 1.00 0.00 N ATOM 741 CA ASN A 65 -18.947 0.989 -2.378 1.00 0.00 C ATOM 742 C ASN A 65 -18.903 -0.167 -1.388 1.00 0.00 C ATOM 743 O ASN A 65 -18.233 -1.173 -1.625 1.00 0.00 O ATOM 744 CB ASN A 65 -19.988 0.711 -3.463 1.00 0.00 C ATOM 745 CG ASN A 65 -19.591 -0.443 -4.365 1.00 0.00 C ATOM 746 OD1 ASN A 65 -20.157 -1.532 -4.285 1.00 0.00 O ATOM 747 ND2 ASN A 65 -18.609 -0.206 -5.229 1.00 0.00 N ATOM 0 H ASN A 65 -17.261 0.387 -3.470 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.229 1.896 -1.843 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -20.947 0.489 -2.994 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.128 1.608 -4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.296 -0.943 -5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.168 0.713 -5.260 1.00 0.00 H new ATOM 754 N ILE A 66 -19.614 -0.020 -0.274 1.00 0.00 N ATOM 755 CA ILE A 66 -19.652 -1.049 0.754 1.00 0.00 C ATOM 756 C ILE A 66 -19.876 -2.435 0.160 1.00 0.00 C ATOM 757 O ILE A 66 -20.585 -2.594 -0.833 1.00 0.00 O ATOM 758 CB ILE A 66 -20.739 -0.735 1.788 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.362 0.548 2.517 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.916 -1.888 2.771 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.153 0.402 3.410 1.00 0.00 C ATOM 0 H ILE A 66 -20.173 0.806 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.680 -1.052 1.248 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.693 -0.601 1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.169 1.330 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.210 0.877 3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.694 -1.635 3.492 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.203 -2.788 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.978 -2.065 3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -18.943 1.354 3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.350 -0.357 4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.293 0.103 2.811 1.00 0.00 H new ATOM 773 N GLY A 67 -19.255 -3.433 0.775 1.00 0.00 N ATOM 774 CA GLY A 67 -19.381 -4.796 0.300 1.00 0.00 C ATOM 775 C GLY A 67 -18.251 -5.197 -0.633 1.00 0.00 C ATOM 776 O GLY A 67 -18.259 -6.295 -1.188 1.00 0.00 O ATOM 0 H GLY A 67 -18.664 -3.321 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.400 -5.474 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.333 -4.909 -0.219 1.00 0.00 H new ATOM 780 N ASP A 68 -17.272 -4.308 -0.805 1.00 0.00 N ATOM 781 CA ASP A 68 -16.134 -4.585 -1.672 1.00 0.00 C ATOM 782 C ASP A 68 -14.889 -4.872 -0.844 1.00 0.00 C ATOM 783 O ASP A 68 -14.746 -4.370 0.271 1.00 0.00 O ATOM 784 CB ASP A 68 -15.877 -3.401 -2.609 1.00 0.00 C ATOM 785 CG ASP A 68 -17.096 -3.044 -3.437 1.00 0.00 C ATOM 786 OD1 ASP A 68 -18.214 -3.459 -3.061 1.00 0.00 O ATOM 787 OD2 ASP A 68 -16.935 -2.349 -4.462 1.00 0.00 O ATOM 0 H ASP A 68 -17.247 -3.393 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.367 -5.465 -2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.574 -2.535 -2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.047 -3.641 -3.274 1.00 0.00 H new ATOM 792 N GLN A 69 -13.989 -5.683 -1.389 1.00 0.00 N ATOM 793 CA GLN A 69 -12.760 -6.030 -0.687 1.00 0.00 C ATOM 794 C GLN A 69 -11.541 -5.450 -1.393 1.00 0.00 C ATOM 795 O GLN A 69 -11.346 -5.655 -2.591 1.00 0.00 O ATOM 796 CB GLN A 69 -12.627 -7.548 -0.557 1.00 0.00 C ATOM 797 CG GLN A 69 -12.378 -8.001 0.869 1.00 0.00 C ATOM 798 CD GLN A 69 -12.456 -9.502 1.037 1.00 0.00 C ATOM 799 OE1 GLN A 69 -13.531 -10.054 1.270 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.313 -10.168 0.926 1.00 0.00 N ATOM 0 H GLN A 69 -14.087 -6.110 -2.310 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.811 -5.596 0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.536 -8.020 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.808 -7.891 -1.190 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -11.394 -7.657 1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.108 -7.529 1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.447 -9.666 0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.301 -11.182 1.035 1.00 0.00 H new ATOM 809 N ILE A 70 -10.728 -4.720 -0.639 1.00 0.00 N ATOM 810 CA ILE A 70 -9.528 -4.101 -1.183 1.00 0.00 C ATOM 811 C ILE A 70 -8.334 -5.044 -1.089 1.00 0.00 C ATOM 812 O ILE A 70 -8.112 -5.678 -0.059 1.00 0.00 O ATOM 813 CB ILE A 70 -9.195 -2.788 -0.447 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.430 -1.885 -0.397 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.032 -2.074 -1.122 1.00 0.00 C ATOM 816 CD1 ILE A 70 -10.544 -1.089 0.884 1.00 0.00 C ATOM 0 H ILE A 70 -10.880 -4.542 0.354 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.729 -3.880 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 70 -8.897 -3.026 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.401 -1.197 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.324 -2.498 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.813 -1.150 -0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.153 -2.718 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.297 -1.842 -2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.442 -0.472 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.604 -1.771 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.668 -0.450 0.994 1.00 0.00 H new ATOM 828 N MET A 71 -7.567 -5.137 -2.173 1.00 0.00 N ATOM 829 CA MET A 71 -6.398 -6.009 -2.204 1.00 0.00 C ATOM 830 C MET A 71 -5.120 -5.232 -1.897 1.00 0.00 C ATOM 831 O MET A 71 -4.397 -5.562 -0.958 1.00 0.00 O ATOM 832 CB MET A 71 -6.274 -6.688 -3.569 1.00 0.00 C ATOM 833 CG MET A 71 -7.054 -7.987 -3.671 1.00 0.00 C ATOM 834 SD MET A 71 -8.831 -7.722 -3.806 1.00 0.00 S ATOM 835 CE MET A 71 -9.452 -9.141 -2.906 1.00 0.00 C ATOM 0 H MET A 71 -7.734 -4.621 -3.037 1.00 0.00 H new ATOM 0 HA MET A 71 -6.532 -6.770 -1.435 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.623 -6.002 -4.341 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.222 -6.888 -3.773 1.00 0.00 H new ATOM 0 HG2 MET A 71 -6.707 -8.547 -4.539 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.848 -8.600 -2.793 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.183 -9.669 -3.518 1.00 0.00 H new ATOM 0 HE2 MET A 71 -8.626 -9.811 -2.669 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.925 -8.807 -1.982 1.00 0.00 H new ATOM 845 N SER A 72 -4.844 -4.205 -2.695 1.00 0.00 N ATOM 846 CA SER A 72 -3.645 -3.393 -2.501 1.00 0.00 C ATOM 847 C SER A 72 -3.887 -1.940 -2.896 1.00 0.00 C ATOM 848 O SER A 72 -4.629 -1.654 -3.837 1.00 0.00 O ATOM 849 CB SER A 72 -2.484 -3.965 -3.317 1.00 0.00 C ATOM 850 OG SER A 72 -2.614 -3.637 -4.689 1.00 0.00 O ATOM 0 H SER A 72 -5.430 -3.916 -3.478 1.00 0.00 H new ATOM 0 HA SER A 72 -3.392 -3.419 -1.441 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.540 -3.576 -2.935 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.453 -5.048 -3.200 1.00 0.00 H new ATOM 0 HG SER A 72 -1.859 -4.013 -5.188 1.00 0.00 H new ATOM 856 N ILE A 73 -3.250 -1.024 -2.170 1.00 0.00 N ATOM 857 CA ILE A 73 -3.383 0.400 -2.437 1.00 0.00 C ATOM 858 C ILE A 73 -2.050 0.993 -2.884 1.00 0.00 C ATOM 859 O ILE A 73 -1.062 0.948 -2.151 1.00 0.00 O ATOM 860 CB ILE A 73 -3.883 1.153 -1.186 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.289 0.682 -0.806 1.00 0.00 C ATOM 862 CG2 ILE A 73 -3.868 2.656 -1.423 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.327 -0.118 0.477 1.00 0.00 C ATOM 0 H ILE A 73 -2.634 -1.248 -1.389 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.114 0.517 -3.237 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.209 0.932 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.940 1.550 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.692 0.075 -1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.224 3.169 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.851 2.979 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.518 2.898 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.353 -0.420 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.702 -1.005 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.953 0.494 1.298 1.00 0.00 H new ATOM 875 N ASN A 74 -2.030 1.552 -4.089 1.00 0.00 N ATOM 876 CA ASN A 74 -0.819 2.158 -4.633 1.00 0.00 C ATOM 877 C ASN A 74 0.338 1.163 -4.646 1.00 0.00 C ATOM 878 O ASN A 74 1.503 1.552 -4.567 1.00 0.00 O ATOM 879 CB ASN A 74 -0.434 3.393 -3.819 1.00 0.00 C ATOM 880 CG ASN A 74 -1.533 4.438 -3.800 1.00 0.00 C ATOM 881 OD1 ASN A 74 -1.916 4.972 -4.842 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.046 4.735 -2.613 1.00 0.00 N ATOM 0 H ASN A 74 -2.839 1.598 -4.709 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.026 2.455 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.203 3.094 -2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.473 3.831 -4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.788 5.431 -2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.698 4.268 -1.776 1.00 0.00 H new ATOM 889 N GLY A 75 0.009 -0.121 -4.747 1.00 0.00 N ATOM 890 CA GLY A 75 1.034 -1.149 -4.770 1.00 0.00 C ATOM 891 C GLY A 75 1.143 -1.900 -3.456 1.00 0.00 C ATOM 892 O GLY A 75 1.577 -3.052 -3.429 1.00 0.00 O ATOM 0 H GLY A 75 -0.948 -0.468 -4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.815 -1.856 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.996 -0.692 -5.003 1.00 0.00 H new ATOM 896 N THR A 76 0.751 -1.250 -2.365 1.00 0.00 N ATOM 897 CA THR A 76 0.809 -1.868 -1.047 1.00 0.00 C ATOM 898 C THR A 76 -0.153 -3.047 -0.956 1.00 0.00 C ATOM 899 O THR A 76 -1.360 -2.866 -0.811 1.00 0.00 O ATOM 900 CB THR A 76 0.481 -0.842 0.032 1.00 0.00 C ATOM 901 OG1 THR A 76 1.088 0.403 -0.257 1.00 0.00 O ATOM 902 CG2 THR A 76 0.927 -1.263 1.416 1.00 0.00 C ATOM 0 H THR A 76 0.390 -0.296 -2.368 1.00 0.00 H new ATOM 0 HA THR A 76 1.822 -2.238 -0.890 1.00 0.00 H new ATOM 0 HB THR A 76 -0.606 -0.760 0.029 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.494 0.932 -0.829 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.663 -0.488 2.135 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.433 -2.195 1.690 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.007 -1.410 1.421 1.00 0.00 H new ATOM 910 N SER A 77 0.392 -4.257 -1.046 1.00 0.00 N ATOM 911 CA SER A 77 -0.418 -5.469 -0.979 1.00 0.00 C ATOM 912 C SER A 77 -0.997 -5.671 0.419 1.00 0.00 C ATOM 913 O SER A 77 -0.281 -5.590 1.418 1.00 0.00 O ATOM 914 CB SER A 77 0.419 -6.686 -1.377 1.00 0.00 C ATOM 915 OG SER A 77 -0.408 -7.770 -1.762 1.00 0.00 O ATOM 0 H SER A 77 1.391 -4.424 -1.166 1.00 0.00 H new ATOM 0 HA SER A 77 -1.247 -5.357 -1.678 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.083 -6.421 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.051 -6.986 -0.541 1.00 0.00 H new ATOM 0 HG SER A 77 0.151 -8.535 -2.013 1.00 0.00 H new ATOM 921 N LEU A 78 -2.296 -5.941 0.479 1.00 0.00 N ATOM 922 CA LEU A 78 -2.978 -6.164 1.751 1.00 0.00 C ATOM 923 C LEU A 78 -3.380 -7.628 1.904 1.00 0.00 C ATOM 924 O LEU A 78 -3.538 -8.125 3.019 1.00 0.00 O ATOM 925 CB LEU A 78 -4.222 -5.280 1.856 1.00 0.00 C ATOM 926 CG LEU A 78 -4.009 -3.806 1.511 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.265 -3.006 1.818 1.00 0.00 C ATOM 928 CD2 LEU A 78 -2.819 -3.246 2.275 1.00 0.00 C ATOM 0 H LEU A 78 -2.900 -6.011 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.284 -5.903 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.990 -5.683 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.609 -5.346 2.873 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.799 -3.726 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.099 -1.958 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.096 -3.393 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.501 -3.093 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.682 -2.196 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.999 -3.336 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.921 -3.804 2.010 1.00 0.00 H new ATOM 940 N VAL A 79 -3.553 -8.312 0.778 1.00 0.00 N ATOM 941 CA VAL A 79 -3.945 -9.715 0.786 1.00 0.00 C ATOM 942 C VAL A 79 -2.986 -10.560 1.622 1.00 0.00 C ATOM 943 O VAL A 79 -1.997 -11.081 1.106 1.00 0.00 O ATOM 944 CB VAL A 79 -4.000 -10.290 -0.643 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.565 -11.702 -0.630 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.819 -9.387 -1.554 1.00 0.00 C ATOM 0 H VAL A 79 -3.427 -7.916 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.939 -9.757 1.231 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.984 -10.334 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.596 -12.091 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.931 -12.342 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.573 -11.687 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.845 -9.811 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.835 -9.305 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.364 -8.397 -1.590 1.00 0.00 H new ATOM 956 N GLY A 80 -3.285 -10.700 2.911 1.00 0.00 N ATOM 957 CA GLY A 80 -2.436 -11.493 3.782 1.00 0.00 C ATOM 958 C GLY A 80 -2.295 -10.908 5.176 1.00 0.00 C ATOM 959 O GLY A 80 -2.253 -11.646 6.161 1.00 0.00 O ATOM 0 H GLY A 80 -4.096 -10.281 3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.845 -12.501 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.448 -11.583 3.331 1.00 0.00 H new ATOM 963 N LEU A 81 -2.213 -9.585 5.264 1.00 0.00 N ATOM 964 CA LEU A 81 -2.065 -8.915 6.555 1.00 0.00 C ATOM 965 C LEU A 81 -3.419 -8.698 7.228 1.00 0.00 C ATOM 966 O LEU A 81 -4.461 -8.718 6.571 1.00 0.00 O ATOM 967 CB LEU A 81 -1.342 -7.575 6.392 1.00 0.00 C ATOM 968 CG LEU A 81 -1.697 -6.791 5.126 1.00 0.00 C ATOM 969 CD1 LEU A 81 -1.789 -5.304 5.429 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.671 -7.056 4.032 1.00 0.00 C ATOM 0 H LEU A 81 -2.246 -8.956 4.462 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.466 -9.565 7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.564 -6.953 7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.267 -7.757 6.397 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.671 -7.128 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.042 -4.762 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.561 -5.133 6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.830 -4.950 5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.938 -6.491 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.316 -6.746 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.656 -8.120 3.797 1.00 0.00 H new ATOM 982 N PRO A 82 -3.417 -8.489 8.558 1.00 0.00 N ATOM 983 CA PRO A 82 -4.645 -8.268 9.331 1.00 0.00 C ATOM 984 C PRO A 82 -5.349 -6.968 8.958 1.00 0.00 C ATOM 985 O PRO A 82 -4.971 -6.298 7.997 1.00 0.00 O ATOM 986 CB PRO A 82 -4.152 -8.208 10.781 1.00 0.00 C ATOM 987 CG PRO A 82 -2.716 -7.822 10.678 1.00 0.00 C ATOM 988 CD PRO A 82 -2.215 -8.454 9.412 1.00 0.00 C ATOM 0 HA PRO A 82 -5.381 -9.051 9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.717 -7.479 11.361 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.268 -9.171 11.279 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.603 -6.738 10.646 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.153 -8.176 11.542 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.415 -7.869 8.958 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.818 -9.453 9.590 1.00 0.00 H new ATOM 996 N LEU A 83 -6.377 -6.619 9.725 1.00 0.00 N ATOM 997 CA LEU A 83 -7.142 -5.402 9.479 1.00 0.00 C ATOM 998 C LEU A 83 -6.394 -4.173 9.988 1.00 0.00 C ATOM 999 O LEU A 83 -6.319 -3.156 9.300 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.518 -5.496 10.148 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.223 -4.157 10.385 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.458 -3.435 9.067 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -10.537 -4.370 11.121 1.00 0.00 C ATOM 0 H LEU A 83 -6.700 -7.164 10.524 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.276 -5.298 8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.162 -6.123 9.531 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.404 -6.003 11.106 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.579 -3.534 11.005 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.960 -2.486 9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.502 -3.249 8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.081 -4.052 8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.024 -3.408 11.281 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.187 -5.012 10.527 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.342 -4.843 12.084 1.00 0.00 H new ATOM 1015 N SER A 84 -5.846 -4.271 11.195 1.00 0.00 N ATOM 1016 CA SER A 84 -5.109 -3.160 11.789 1.00 0.00 C ATOM 1017 C SER A 84 -4.020 -2.674 10.839 1.00 0.00 C ATOM 1018 O SER A 84 -3.827 -1.468 10.657 1.00 0.00 O ATOM 1019 CB SER A 84 -4.488 -3.584 13.121 1.00 0.00 C ATOM 1020 OG SER A 84 -4.092 -2.456 13.882 1.00 0.00 O ATOM 0 H SER A 84 -5.898 -5.105 11.780 1.00 0.00 H new ATOM 0 HA SER A 84 -5.808 -2.343 11.970 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.206 -4.175 13.689 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.625 -4.223 12.936 1.00 0.00 H new ATOM 0 HG SER A 84 -3.700 -2.754 14.729 1.00 0.00 H new ATOM 1026 N THR A 85 -3.320 -3.618 10.229 1.00 0.00 N ATOM 1027 CA THR A 85 -2.262 -3.286 9.291 1.00 0.00 C ATOM 1028 C THR A 85 -2.829 -2.560 8.076 1.00 0.00 C ATOM 1029 O THR A 85 -2.315 -1.520 7.675 1.00 0.00 O ATOM 1030 CB THR A 85 -1.520 -4.547 8.856 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.952 -5.210 9.973 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.404 -4.277 7.868 1.00 0.00 C ATOM 0 H THR A 85 -3.466 -4.618 10.367 1.00 0.00 H new ATOM 0 HA THR A 85 -1.557 -2.622 9.791 1.00 0.00 H new ATOM 0 HB THR A 85 -2.273 -5.167 8.370 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.483 -6.016 9.671 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.081 -5.216 7.601 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.816 -3.814 6.971 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.327 -3.606 8.319 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.895 -3.117 7.499 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.532 -2.521 6.324 1.00 0.00 C ATOM 1042 C CYS A 86 -4.950 -1.078 6.585 1.00 0.00 C ATOM 1043 O CYS A 86 -4.532 -0.164 5.869 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.751 -3.346 5.908 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.360 -5.038 5.403 1.00 0.00 S ATOM 0 H CYS A 86 -4.334 -3.978 7.825 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.800 -2.521 5.516 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.454 -3.380 6.740 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.255 -2.840 5.085 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.356 -5.812 6.447 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.774 -0.867 7.611 1.00 0.00 N ATOM 1052 CA GLN A 87 -6.230 0.480 7.947 1.00 0.00 C ATOM 1053 C GLN A 87 -5.045 1.432 8.006 1.00 0.00 C ATOM 1054 O GLN A 87 -5.110 2.556 7.508 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.985 0.487 9.277 1.00 0.00 C ATOM 1056 CG GLN A 87 -6.215 -0.148 10.421 1.00 0.00 C ATOM 1057 CD GLN A 87 -7.042 -0.253 11.686 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -6.759 0.410 12.684 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -8.071 -1.090 11.649 1.00 0.00 N ATOM 0 H GLN A 87 -6.136 -1.603 8.218 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.916 0.814 7.168 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.227 1.516 9.541 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.930 -0.041 9.150 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.883 -1.143 10.124 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -5.320 0.440 10.623 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.268 -1.619 10.799 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.665 -1.204 12.470 1.00 0.00 H new ATOM 1068 N SER A 88 -3.952 0.966 8.603 1.00 0.00 N ATOM 1069 CA SER A 88 -2.746 1.769 8.704 1.00 0.00 C ATOM 1070 C SER A 88 -2.224 2.119 7.312 1.00 0.00 C ATOM 1071 O SER A 88 -1.708 3.215 7.085 1.00 0.00 O ATOM 1072 CB SER A 88 -1.670 1.021 9.496 1.00 0.00 C ATOM 1073 OG SER A 88 -0.391 1.595 9.288 1.00 0.00 O ATOM 0 H SER A 88 -3.880 0.039 9.022 1.00 0.00 H new ATOM 0 HA SER A 88 -2.989 2.692 9.231 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.914 1.044 10.558 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.655 -0.027 9.195 1.00 0.00 H new ATOM 0 HG SER A 88 0.278 1.100 9.806 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.376 1.179 6.379 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.931 1.384 5.004 1.00 0.00 C ATOM 1081 C ILE A 89 -2.623 2.590 4.387 1.00 0.00 C ATOM 1082 O ILE A 89 -1.976 3.463 3.805 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.226 0.149 4.128 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.697 -1.121 4.795 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.625 0.322 2.741 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.190 -1.246 4.774 1.00 0.00 C ATOM 0 H ILE A 89 -2.804 0.269 6.552 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.855 1.552 5.040 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.306 0.052 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.039 -1.145 5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.130 -1.988 4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.843 -0.559 2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.055 1.203 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.545 0.446 2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.105 -2.173 5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.160 -1.256 3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.253 -0.400 5.299 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.944 2.633 4.518 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.728 3.722 3.978 1.00 0.00 C ATOM 1100 C ILE A 90 -4.520 4.999 4.784 1.00 0.00 C ATOM 1101 O ILE A 90 -4.317 6.076 4.223 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.220 3.367 3.978 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.446 1.988 3.353 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -6.995 4.424 3.229 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.823 1.423 3.622 1.00 0.00 C ATOM 0 H ILE A 90 -4.491 1.918 4.998 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.394 3.888 2.954 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.575 3.332 5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.294 2.057 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.696 1.296 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.055 4.168 3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.854 5.390 3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.637 4.478 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.913 0.445 3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.971 1.322 4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.578 2.094 3.213 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.571 4.870 6.103 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.385 6.013 6.991 1.00 0.00 C ATOM 1119 C LYS A 91 -3.062 6.714 6.705 1.00 0.00 C ATOM 1120 O LYS A 91 -2.902 7.902 6.986 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.441 5.568 8.453 1.00 0.00 C ATOM 1122 CG LYS A 91 -5.854 5.354 8.970 1.00 0.00 C ATOM 1123 CD LYS A 91 -5.959 4.092 9.811 1.00 0.00 C ATOM 1124 CE LYS A 91 -5.956 4.409 11.297 1.00 0.00 C ATOM 1125 NZ LYS A 91 -5.189 3.398 12.079 1.00 0.00 N ATOM 0 H LYS A 91 -4.740 3.986 6.583 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.194 6.719 6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.878 4.641 8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.946 6.317 9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.158 6.215 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.544 5.289 8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.874 3.558 9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.126 3.428 9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.523 5.396 11.457 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.982 4.448 11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.211 3.650 13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.617 2.459 11.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.203 3.378 11.748 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.122 5.970 6.139 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.825 6.533 5.810 1.00 0.00 C ATOM 1141 C GLY A 92 -0.903 7.519 4.660 1.00 0.00 C ATOM 1142 O GLY A 92 -0.356 8.618 4.739 1.00 0.00 O ATOM 0 H GLY A 92 -2.233 4.984 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.415 7.033 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.137 5.728 5.550 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.593 7.125 3.593 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.749 7.983 2.422 1.00 0.00 C ATOM 1148 C LEU A 93 -2.928 8.936 2.601 1.00 0.00 C ATOM 1149 O LEU A 93 -3.843 8.976 1.780 1.00 0.00 O ATOM 1150 CB LEU A 93 -1.939 7.139 1.162 1.00 0.00 C ATOM 1151 CG LEU A 93 -2.951 6.001 1.292 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -4.089 6.177 0.298 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.270 4.655 1.096 1.00 0.00 C ATOM 0 H LEU A 93 -2.053 6.218 3.515 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.841 8.576 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.253 7.793 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.975 6.717 0.877 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.370 6.030 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.798 5.356 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.596 7.123 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.689 6.178 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.006 3.857 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.820 4.616 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.495 4.526 1.851 1.00 0.00 H new ATOM 1165 N LYS A 94 -2.893 9.702 3.687 1.00 0.00 N ATOM 1166 CA LYS A 94 -3.950 10.660 3.984 1.00 0.00 C ATOM 1167 C LYS A 94 -3.675 12.011 3.326 1.00 0.00 C ATOM 1168 O LYS A 94 -4.582 12.828 3.168 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.089 10.837 5.500 1.00 0.00 C ATOM 1170 CG LYS A 94 -5.142 11.856 5.904 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.521 13.206 6.217 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.100 13.300 7.675 1.00 0.00 C ATOM 1173 NZ LYS A 94 -5.172 13.884 8.527 1.00 0.00 N ATOM 0 H LYS A 94 -2.142 9.677 4.377 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.883 10.268 3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.337 9.875 5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.126 11.141 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.869 11.967 5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.685 11.493 6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.654 13.367 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.236 13.998 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.844 12.307 8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.201 13.911 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.845 13.931 9.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.399 14.842 8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.022 13.288 8.472 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.417 12.250 2.959 1.00 0.00 N ATOM 1188 CA ASN A 95 -2.033 13.512 2.337 1.00 0.00 C ATOM 1189 C ASN A 95 -1.694 13.336 0.857 1.00 0.00 C ATOM 1190 O ASN A 95 -0.616 13.729 0.407 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.840 14.123 3.075 1.00 0.00 C ATOM 1192 CG ASN A 95 0.388 13.235 3.021 1.00 0.00 C ATOM 1193 OD1 ASN A 95 1.284 13.444 2.203 1.00 0.00 O ATOM 1194 ND2 ASN A 95 0.435 12.237 3.896 1.00 0.00 N ATOM 0 H ASN A 95 -1.651 11.588 3.082 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.888 14.185 2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.603 15.093 2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -1.112 14.300 4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.237 11.606 3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.331 12.101 4.556 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.621 12.757 0.101 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.419 12.548 -1.330 1.00 0.00 C ATOM 1203 C GLN A 96 -3.575 13.145 -2.129 1.00 0.00 C ATOM 1204 O GLN A 96 -4.678 13.314 -1.607 1.00 0.00 O ATOM 1205 CB GLN A 96 -2.276 11.058 -1.645 1.00 0.00 C ATOM 1206 CG GLN A 96 -3.299 10.185 -0.942 1.00 0.00 C ATOM 1207 CD GLN A 96 -3.414 8.809 -1.564 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -4.511 8.278 -1.727 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -2.275 8.224 -1.915 1.00 0.00 N ATOM 0 H GLN A 96 -3.518 12.424 0.454 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.497 13.054 -1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.366 10.913 -2.722 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.276 10.730 -1.362 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.025 10.084 0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.272 10.676 -0.971 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.387 8.702 -1.761 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.288 7.296 -2.339 1.00 0.00 H new ATOM 1218 N SER A 97 -3.318 13.469 -3.392 1.00 0.00 N ATOM 1219 CA SER A 97 -4.340 14.053 -4.255 1.00 0.00 C ATOM 1220 C SER A 97 -5.064 12.988 -5.076 1.00 0.00 C ATOM 1221 O SER A 97 -6.099 13.260 -5.686 1.00 0.00 O ATOM 1222 CB SER A 97 -3.715 15.096 -5.184 1.00 0.00 C ATOM 1223 OG SER A 97 -3.133 14.483 -6.320 1.00 0.00 O ATOM 0 H SER A 97 -2.412 13.337 -3.841 1.00 0.00 H new ATOM 0 HA SER A 97 -5.077 14.536 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.477 15.808 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.956 15.661 -4.643 1.00 0.00 H new ATOM 0 HG SER A 97 -2.742 15.171 -6.899 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.518 11.779 -5.087 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.115 10.673 -5.830 1.00 0.00 C ATOM 1231 C ARG A 98 -4.943 9.365 -5.070 1.00 0.00 C ATOM 1232 O ARG A 98 -3.891 9.112 -4.485 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.486 10.558 -7.216 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.458 10.066 -8.277 1.00 0.00 C ATOM 1235 CD ARG A 98 -5.215 10.743 -9.615 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.083 12.192 -9.484 1.00 0.00 N ATOM 1237 CZ ARG A 98 -4.604 12.981 -10.443 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -4.214 12.468 -11.603 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -4.516 14.290 -10.241 1.00 0.00 N ATOM 0 H ARG A 98 -3.661 11.537 -4.589 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.180 10.875 -5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.097 11.532 -7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.637 9.877 -7.167 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.357 8.987 -8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.480 10.258 -7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.310 10.337 -10.067 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.039 10.514 -10.291 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.375 12.624 -8.607 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.280 11.463 -11.764 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.848 13.079 -12.333 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.815 14.690 -9.352 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.149 14.896 -10.975 1.00 0.00 H new ATOM 1253 N VAL A 99 -5.983 8.537 -5.075 1.00 0.00 N ATOM 1254 CA VAL A 99 -5.934 7.259 -4.375 1.00 0.00 C ATOM 1255 C VAL A 99 -6.165 6.092 -5.326 1.00 0.00 C ATOM 1256 O VAL A 99 -7.294 5.823 -5.736 1.00 0.00 O ATOM 1257 CB VAL A 99 -6.981 7.191 -3.245 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.617 6.101 -2.247 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -7.116 8.539 -2.547 1.00 0.00 C ATOM 0 H VAL A 99 -6.864 8.726 -5.553 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.935 7.182 -3.945 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.946 6.944 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.366 6.067 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.583 5.138 -2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.641 6.317 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.860 8.465 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.156 8.824 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.429 9.293 -3.269 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.087 5.391 -5.660 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.163 4.242 -6.545 1.00 0.00 C ATOM 1271 C LYS A 100 -5.313 2.969 -5.726 1.00 0.00 C ATOM 1272 O LYS A 100 -4.453 2.644 -4.907 1.00 0.00 O ATOM 1273 CB LYS A 100 -3.900 4.153 -7.401 1.00 0.00 C ATOM 1274 CG LYS A 100 -3.980 3.093 -8.482 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.636 3.656 -9.854 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.874 3.805 -10.722 1.00 0.00 C ATOM 1277 NZ LYS A 100 -5.017 2.679 -11.685 1.00 0.00 N ATOM 0 H LYS A 100 -4.146 5.603 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.029 4.357 -7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.715 5.122 -7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.047 3.941 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.297 2.278 -8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.985 2.672 -8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.152 4.626 -9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.920 2.999 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.759 3.854 -10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.822 4.746 -11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.874 2.819 -12.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.185 2.647 -12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.092 1.783 -11.163 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.409 2.258 -5.936 1.00 0.00 N ATOM 1292 CA LEU A 101 -6.661 1.030 -5.199 1.00 0.00 C ATOM 1293 C LEU A 101 -7.075 -0.096 -6.135 1.00 0.00 C ATOM 1294 O LEU A 101 -7.622 0.142 -7.208 1.00 0.00 O ATOM 1295 CB LEU A 101 -7.756 1.247 -4.144 1.00 0.00 C ATOM 1296 CG LEU A 101 -7.935 2.690 -3.652 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.412 3.060 -3.586 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.278 2.873 -2.291 1.00 0.00 C ATOM 0 H LEU A 101 -7.135 2.508 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.733 0.749 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.705 0.904 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.535 0.615 -3.284 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.449 3.356 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.515 4.087 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.854 2.970 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.925 2.388 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.414 3.901 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.736 2.194 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.213 2.655 -2.369 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.824 -1.323 -5.707 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.192 -2.495 -6.484 1.00 0.00 C ATOM 1312 C ASN A 102 -8.106 -3.374 -5.647 1.00 0.00 C ATOM 1313 O ASN A 102 -7.641 -4.200 -4.864 1.00 0.00 O ATOM 1314 CB ASN A 102 -5.949 -3.272 -6.922 1.00 0.00 C ATOM 1315 CG ASN A 102 -5.625 -3.050 -8.386 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -4.474 -2.808 -8.750 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -6.643 -3.131 -9.235 1.00 0.00 N ATOM 0 H ASN A 102 -6.364 -1.533 -4.821 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.716 -2.179 -7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.098 -2.968 -6.313 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.105 -4.336 -6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.487 -2.990 -10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -7.581 -3.334 -8.889 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.409 -3.164 -5.785 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.380 -3.915 -5.003 1.00 0.00 C ATOM 1326 C ILE A 103 -11.272 -4.789 -5.879 1.00 0.00 C ATOM 1327 O ILE A 103 -11.257 -4.684 -7.105 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.241 -2.968 -4.134 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.441 -2.414 -4.904 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.395 -1.814 -3.615 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.501 -1.849 -3.994 1.00 0.00 C ATOM 0 H ILE A 103 -9.815 -2.484 -6.427 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.815 -4.577 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.620 -3.555 -3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.102 -1.636 -5.588 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.875 -3.207 -5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.013 -1.155 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.577 -2.206 -3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.989 -1.253 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.330 -1.470 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.863 -2.632 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.078 -1.036 -3.403 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.050 -5.649 -5.232 1.00 0.00 N ATOM 1344 CA VAL A 104 -12.956 -6.546 -5.933 1.00 0.00 C ATOM 1345 C VAL A 104 -14.400 -6.299 -5.511 1.00 0.00 C ATOM 1346 O VAL A 104 -14.770 -6.534 -4.360 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.598 -8.021 -5.669 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.461 -8.945 -6.515 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -11.120 -8.269 -5.935 1.00 0.00 C ATOM 0 H VAL A 104 -12.070 -5.743 -4.217 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.851 -6.341 -6.998 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.797 -8.239 -4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.191 -9.981 -6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.511 -8.789 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.300 -8.728 -7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.886 -9.316 -5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.892 -8.031 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.521 -7.638 -5.279 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.212 -5.819 -6.447 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.615 -5.536 -6.171 1.00 0.00 C ATOM 1361 C ARG A 105 -17.423 -6.825 -6.077 1.00 0.00 C ATOM 1362 O ARG A 105 -17.423 -7.638 -7.002 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.198 -4.632 -7.258 1.00 0.00 C ATOM 1364 CG ARG A 105 -18.227 -3.641 -6.736 1.00 0.00 C ATOM 1365 CD ARG A 105 -19.403 -3.497 -7.691 1.00 0.00 C ATOM 1366 NE ARG A 105 -18.969 -3.236 -9.063 1.00 0.00 N ATOM 1367 CZ ARG A 105 -18.883 -4.170 -10.011 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -19.189 -5.434 -9.745 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -18.485 -3.835 -11.230 1.00 0.00 N ATOM 0 H ARG A 105 -14.922 -5.618 -7.404 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.674 -5.022 -5.211 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.387 -4.083 -7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.660 -5.252 -8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -18.588 -3.970 -5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -17.755 -2.669 -6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -20.002 -4.407 -7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -20.046 -2.684 -7.354 1.00 0.00 H new ATOM 0 HE ARG A 105 -18.716 -2.279 -9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -19.493 -5.699 -8.808 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -19.120 -6.140 -10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -18.246 -2.866 -11.440 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -18.418 -4.546 -11.958 1.00 0.00 H new ATOM 1384 N PRO B -3 -16.351 3.254 13.727 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.442 2.106 13.699 1.00 0.00 C ATOM 1386 C PRO B -3 -14.154 2.390 12.929 1.00 0.00 C ATOM 1387 O PRO B -3 -13.756 1.613 12.061 1.00 0.00 O ATOM 1388 CB PRO B -3 -16.269 1.042 12.980 1.00 0.00 C ATOM 1389 CG PRO B -3 -17.134 1.813 12.042 1.00 0.00 C ATOM 1390 CD PRO B -3 -17.419 3.133 12.715 1.00 0.00 C ATOM 0 H2 PRO B -3 -15.822 4.111 13.563 1.00 0.00 H new ATOM 0 H3 PRO B -3 -16.769 3.335 14.654 1.00 0.00 H new ATOM 0 HA PRO B -3 -15.109 1.821 14.697 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -15.631 0.338 12.445 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -16.865 0.461 13.683 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -16.632 1.964 11.086 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -18.059 1.275 11.835 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -17.391 3.958 12.004 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.407 3.142 13.174 1.00 0.00 H new ATOM 1398 N VAL B -2 -13.504 3.505 13.254 1.00 0.00 N ATOM 1399 CA VAL B -2 -12.259 3.886 12.595 1.00 0.00 C ATOM 1400 C VAL B -2 -12.467 4.098 11.099 1.00 0.00 C ATOM 1401 O VAL B -2 -12.909 3.195 10.388 1.00 0.00 O ATOM 1402 CB VAL B -2 -11.164 2.825 12.804 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -9.825 3.330 12.292 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -11.069 2.437 14.272 1.00 0.00 C ATOM 0 H VAL B -2 -13.819 4.160 13.970 1.00 0.00 H new ATOM 0 HA VAL B -2 -11.938 4.823 13.049 1.00 0.00 H new ATOM 0 HB VAL B -2 -11.433 1.936 12.233 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -9.064 2.566 12.449 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -9.903 3.552 11.228 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -9.547 4.235 12.832 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -10.290 1.686 14.400 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -10.825 3.318 14.866 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -12.024 2.029 14.603 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.144 5.298 10.626 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.294 5.629 9.212 1.00 0.00 C ATOM 1416 C TYR B -1 -10.948 5.963 8.581 1.00 0.00 C ATOM 1417 O TYR B -1 -10.087 6.574 9.215 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.245 6.815 9.043 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.708 6.436 9.065 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.374 6.085 7.897 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.426 6.436 10.254 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.712 5.742 7.916 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -16.763 6.096 10.281 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.402 5.749 9.109 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.735 5.409 9.131 1.00 0.00 O ATOM 0 H TYR B -1 -11.777 6.057 11.200 1.00 0.00 H new ATOM 0 HA TYR B -1 -12.708 4.756 8.707 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.055 7.536 9.838 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -13.023 7.314 8.100 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.837 6.080 6.960 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -14.929 6.707 11.174 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -17.215 5.470 7.000 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -17.306 6.102 11.215 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.071 5.463 10.050 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.777 5.567 7.324 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.541 5.834 6.599 1.00 0.00 C ATOM 1437 C ILE B 0 -9.806 6.723 5.394 1.00 0.00 C ATOM 1438 O ILE B 0 -10.987 7.062 5.165 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.861 4.531 6.128 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.791 3.731 5.208 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.448 3.690 7.327 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -10.014 4.363 3.849 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.838 7.061 4.684 1.00 0.00 O ATOM 0 H ILE B 0 -11.480 5.060 6.786 1.00 0.00 H new ATOM 0 HA ILE B 0 -8.871 6.344 7.291 1.00 0.00 H new ATOM 0 HB ILE B 0 -7.969 4.796 5.561 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.375 2.733 5.068 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.755 3.608 5.702 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -7.970 2.774 6.981 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.748 4.254 7.944 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.330 3.439 7.916 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.683 3.735 3.261 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.460 5.349 3.975 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.059 4.460 3.332 1.00 0.00 H new