USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=22 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 51 ASN : amide:sc= 0.0445 X(o=-1.6,f=-1.7) USER MOD Set 1.2: B -1 TYR OH : rot 180:sc= -1.6 USER MOD Single : A 19 LYS NZ :NH3+ -128:sc= -0.0916 (180deg=-2.94!) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= -3.9 (180deg=-4.14!) USER MOD Single : A 26 GLN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 59:sc= 0.882 USER MOD Single : A 42 SER OG : rot 88:sc= -0.218 USER MOD Single : A 46 THR OG1 : rot 175:sc= -1.31! USER MOD Single : A 52 MET CE :methyl -102:sc= -3.22 (180deg=-8.47!) USER MOD Single : A 53 MET CE :methyl -128:sc= -5.15! (180deg=-10.9!) USER MOD Single : A 54 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-3.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 70:sc= -3.85! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.377 F(o=-1.3,f=-0.38) USER MOD Single : A 69 GLN : amide:sc= -9.29 K(o=-9.3,f=-19!) USER MOD Single : A 71 MET CE :methyl -173:sc= -8.05! (180deg=-8.23!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.0379 K(o=0.038,f=-4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00095 USER MOD Single : A 77 SER OG : rot 180:sc= 0.00234 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0501 USER MOD Single : A 85 THR OG1 : rot -150:sc= -1.52! USER MOD Single : A 86 CYS SG : rot 91:sc= -0.466 USER MOD Single : A 87 GLN : amide:sc= -8.86! C(o=-8.9!,f=-16!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= -0.489 (180deg=-1.06) USER MOD Single : A 95 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.884 K(o=-0.88,f=-2.7!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 158:sc=-0.00362 (180deg=-0.0931) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.209 F(o=-0.86,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.716 -9.261 -8.931 1.00 0.00 N ATOM 2 CA GLU A 17 -14.684 -9.015 -9.932 1.00 0.00 C ATOM 3 C GLU A 17 -13.791 -7.850 -9.517 1.00 0.00 C ATOM 4 O GLU A 17 -14.265 -6.859 -8.962 1.00 0.00 O ATOM 5 CB GLU A 17 -15.323 -8.724 -11.291 1.00 0.00 C ATOM 6 CG GLU A 17 -14.377 -8.923 -12.465 1.00 0.00 C ATOM 7 CD GLU A 17 -15.062 -9.552 -13.662 1.00 0.00 C ATOM 8 OE1 GLU A 17 -16.267 -9.290 -13.864 1.00 0.00 O ATOM 9 OE2 GLU A 17 -14.394 -10.307 -14.401 1.00 0.00 O ATOM 0 HA GLU A 17 -14.068 -9.911 -10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.191 -9.371 -11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.687 -7.697 -11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.956 -7.960 -12.756 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.544 -9.554 -12.154 1.00 0.00 H new ATOM 16 N PHE A 18 -12.494 -7.974 -9.785 1.00 0.00 N ATOM 17 CA PHE A 18 -11.538 -6.929 -9.436 1.00 0.00 C ATOM 18 C PHE A 18 -11.843 -5.640 -10.183 1.00 0.00 C ATOM 19 O PHE A 18 -12.412 -5.663 -11.273 1.00 0.00 O ATOM 20 CB PHE A 18 -10.109 -7.373 -9.759 1.00 0.00 C ATOM 21 CG PHE A 18 -9.427 -8.117 -8.646 1.00 0.00 C ATOM 22 CD1 PHE A 18 -9.665 -7.793 -7.319 1.00 0.00 C ATOM 23 CD2 PHE A 18 -8.548 -9.147 -8.933 1.00 0.00 C ATOM 24 CE1 PHE A 18 -9.037 -8.484 -6.301 1.00 0.00 C ATOM 25 CE2 PHE A 18 -7.917 -9.842 -7.919 1.00 0.00 C ATOM 26 CZ PHE A 18 -8.161 -9.510 -6.602 1.00 0.00 C ATOM 0 H PHE A 18 -12.082 -8.787 -10.242 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.626 -6.748 -8.365 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.129 -8.007 -10.645 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.516 -6.494 -10.010 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.348 -6.992 -7.079 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.353 -9.411 -9.962 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.230 -8.223 -5.271 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.234 -10.644 -8.157 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.668 -10.051 -5.808 1.00 0.00 H new ATOM 36 N LYS A 19 -11.451 -4.515 -9.596 1.00 0.00 N ATOM 37 CA LYS A 19 -11.676 -3.221 -10.221 1.00 0.00 C ATOM 38 C LYS A 19 -10.760 -2.151 -9.637 1.00 0.00 C ATOM 39 O LYS A 19 -10.746 -1.915 -8.426 1.00 0.00 O ATOM 40 CB LYS A 19 -13.135 -2.802 -10.055 1.00 0.00 C ATOM 41 CG LYS A 19 -13.606 -2.804 -8.610 1.00 0.00 C ATOM 42 CD LYS A 19 -13.970 -1.407 -8.136 1.00 0.00 C ATOM 43 CE LYS A 19 -15.237 -0.902 -8.807 1.00 0.00 C ATOM 44 NZ LYS A 19 -16.429 -1.043 -7.925 1.00 0.00 N ATOM 0 H LYS A 19 -10.978 -4.474 -8.693 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.446 -3.321 -11.282 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.267 -1.803 -10.471 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.766 -3.475 -10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.471 -3.459 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.822 -3.212 -7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.108 -1.413 -7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.148 -0.724 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.110 0.146 -9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.403 -1.455 -9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.183 -1.542 -8.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.170 -1.585 -7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.767 -0.100 -7.644 1.00 0.00 H new ATOM 58 N ASP A 20 -10.008 -1.501 -10.517 1.00 0.00 N ATOM 59 CA ASP A 20 -9.093 -0.434 -10.118 1.00 0.00 C ATOM 60 C ASP A 20 -9.879 0.786 -9.652 1.00 0.00 C ATOM 61 O ASP A 20 -10.411 1.542 -10.465 1.00 0.00 O ATOM 62 CB ASP A 20 -8.183 -0.053 -11.288 1.00 0.00 C ATOM 63 CG ASP A 20 -7.105 -1.086 -11.544 1.00 0.00 C ATOM 64 OD1 ASP A 20 -7.420 -2.136 -12.141 1.00 0.00 O ATOM 65 OD2 ASP A 20 -5.946 -0.845 -11.149 1.00 0.00 O ATOM 0 H ASP A 20 -10.013 -1.695 -11.518 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.477 -0.793 -9.294 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.786 0.069 -12.188 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.717 0.911 -11.083 1.00 0.00 H new ATOM 70 N VAL A 21 -9.958 0.965 -8.340 1.00 0.00 N ATOM 71 CA VAL A 21 -10.687 2.085 -7.764 1.00 0.00 C ATOM 72 C VAL A 21 -9.799 3.313 -7.622 1.00 0.00 C ATOM 73 O VAL A 21 -8.864 3.331 -6.821 1.00 0.00 O ATOM 74 CB VAL A 21 -11.269 1.729 -6.384 1.00 0.00 C ATOM 75 CG1 VAL A 21 -12.139 2.860 -5.861 1.00 0.00 C ATOM 76 CG2 VAL A 21 -12.056 0.429 -6.455 1.00 0.00 C ATOM 0 H VAL A 21 -9.525 0.347 -7.654 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.503 2.309 -8.450 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.442 1.588 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.541 2.588 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.541 3.766 -5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.961 3.038 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.460 0.194 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.875 0.538 -7.166 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.398 -0.377 -6.780 1.00 0.00 H new ATOM 86 N PHE A 22 -10.103 4.342 -8.405 1.00 0.00 N ATOM 87 CA PHE A 22 -9.343 5.580 -8.366 1.00 0.00 C ATOM 88 C PHE A 22 -10.141 6.677 -7.670 1.00 0.00 C ATOM 89 O PHE A 22 -11.176 7.118 -8.171 1.00 0.00 O ATOM 90 CB PHE A 22 -8.969 6.018 -9.785 1.00 0.00 C ATOM 91 CG PHE A 22 -7.593 6.619 -9.905 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.788 6.800 -8.787 1.00 0.00 C ATOM 93 CD2 PHE A 22 -7.102 7.003 -11.143 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.533 7.349 -8.906 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.843 7.555 -11.262 1.00 0.00 C ATOM 96 CZ PHE A 22 -5.059 7.728 -10.138 1.00 0.00 C ATOM 0 H PHE A 22 -10.872 4.341 -9.075 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.428 5.405 -7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.035 5.156 -10.448 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.702 6.745 -10.133 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.152 6.506 -7.814 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.712 6.869 -12.024 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.918 7.483 -8.028 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.471 7.851 -12.232 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.074 8.161 -10.228 1.00 0.00 H new ATOM 106 N ILE A 23 -9.658 7.109 -6.510 1.00 0.00 N ATOM 107 CA ILE A 23 -10.331 8.149 -5.742 1.00 0.00 C ATOM 108 C ILE A 23 -9.521 9.439 -5.721 1.00 0.00 C ATOM 109 O ILE A 23 -8.575 9.579 -4.944 1.00 0.00 O ATOM 110 CB ILE A 23 -10.592 7.692 -4.293 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.366 6.370 -4.287 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.341 8.766 -3.515 1.00 0.00 C ATOM 113 CD1 ILE A 23 -12.826 6.505 -4.677 1.00 0.00 C ATOM 0 H ILE A 23 -8.803 6.755 -6.081 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.284 8.338 -6.236 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.633 7.531 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.881 5.674 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.306 5.931 -3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.515 8.422 -2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.748 9.680 -3.494 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.297 8.965 -3.998 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.302 5.525 -4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.329 7.174 -3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.897 6.913 -5.685 1.00 0.00 H new ATOM 125 N GLU A 24 -9.906 10.384 -6.572 1.00 0.00 N ATOM 126 CA GLU A 24 -9.226 11.671 -6.646 1.00 0.00 C ATOM 127 C GLU A 24 -9.734 12.599 -5.549 1.00 0.00 C ATOM 128 O GLU A 24 -10.937 12.836 -5.432 1.00 0.00 O ATOM 129 CB GLU A 24 -9.445 12.312 -8.018 1.00 0.00 C ATOM 130 CG GLU A 24 -8.939 11.463 -9.174 1.00 0.00 C ATOM 131 CD GLU A 24 -9.635 11.787 -10.482 1.00 0.00 C ATOM 132 OE1 GLU A 24 -10.880 11.701 -10.531 1.00 0.00 O ATOM 133 OE2 GLU A 24 -8.935 12.129 -11.459 1.00 0.00 O ATOM 0 H GLU A 24 -10.686 10.282 -7.221 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.158 11.507 -6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.510 12.501 -8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.944 13.280 -8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.866 11.616 -9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.088 10.409 -8.939 1.00 0.00 H new ATOM 140 N LYS A 25 -8.816 13.111 -4.736 1.00 0.00 N ATOM 141 CA LYS A 25 -9.188 14.001 -3.640 1.00 0.00 C ATOM 142 C LYS A 25 -8.016 14.880 -3.220 1.00 0.00 C ATOM 143 O LYS A 25 -6.973 14.892 -3.873 1.00 0.00 O ATOM 144 CB LYS A 25 -9.690 13.183 -2.447 1.00 0.00 C ATOM 145 CG LYS A 25 -8.846 11.951 -2.147 1.00 0.00 C ATOM 146 CD LYS A 25 -7.873 12.208 -1.009 1.00 0.00 C ATOM 147 CE LYS A 25 -6.659 11.298 -1.099 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.042 11.329 -2.453 1.00 0.00 N ATOM 0 H LYS A 25 -7.816 12.927 -4.813 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.988 14.653 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.711 13.821 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.717 12.871 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.497 11.116 -1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.294 11.660 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.551 13.249 -1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.377 12.051 -0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.921 11.602 -0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.952 10.276 -0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.136 10.819 -2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.680 10.873 -3.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.878 12.316 -2.737 1.00 0.00 H new ATOM 162 N GLN A 26 -8.193 15.613 -2.124 1.00 0.00 N ATOM 163 CA GLN A 26 -7.149 16.491 -1.616 1.00 0.00 C ATOM 164 C GLN A 26 -6.601 15.966 -0.295 1.00 0.00 C ATOM 165 O GLN A 26 -7.083 14.964 0.231 1.00 0.00 O ATOM 166 CB GLN A 26 -7.690 17.910 -1.428 1.00 0.00 C ATOM 167 CG GLN A 26 -8.559 18.391 -2.580 1.00 0.00 C ATOM 168 CD GLN A 26 -7.770 18.591 -3.859 1.00 0.00 C ATOM 169 OE1 GLN A 26 -6.963 19.515 -3.965 1.00 0.00 O ATOM 170 NE2 GLN A 26 -8.000 17.724 -4.839 1.00 0.00 N ATOM 0 H GLN A 26 -9.051 15.615 -1.572 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.340 16.514 -2.346 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.270 17.949 -0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.852 18.596 -1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.355 17.667 -2.757 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.038 19.330 -2.302 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.678 16.973 -4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.499 17.809 -5.723 1.00 0.00 H new ATOM 179 N LYS A 27 -5.596 16.649 0.235 1.00 0.00 N ATOM 180 CA LYS A 27 -4.986 16.246 1.496 1.00 0.00 C ATOM 181 C LYS A 27 -5.910 16.554 2.664 1.00 0.00 C ATOM 182 O LYS A 27 -6.786 17.414 2.568 1.00 0.00 O ATOM 183 CB LYS A 27 -3.640 16.950 1.695 1.00 0.00 C ATOM 184 CG LYS A 27 -2.901 17.232 0.396 1.00 0.00 C ATOM 185 CD LYS A 27 -1.408 16.972 0.531 1.00 0.00 C ATOM 186 CE LYS A 27 -0.896 16.086 -0.593 1.00 0.00 C ATOM 187 NZ LYS A 27 -0.623 16.862 -1.834 1.00 0.00 N ATOM 0 H LYS A 27 -5.186 17.483 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.817 15.170 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.806 17.891 2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.009 16.334 2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.309 16.607 -0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.065 18.269 0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.870 17.920 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.205 16.498 1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.016 15.583 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.630 15.309 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.276 16.220 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.499 17.321 -2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.097 17.587 -1.639 1.00 0.00 H new ATOM 201 N GLY A 28 -5.712 15.842 3.764 1.00 0.00 N ATOM 202 CA GLY A 28 -6.540 16.049 4.937 1.00 0.00 C ATOM 203 C GLY A 28 -7.960 15.551 4.744 1.00 0.00 C ATOM 204 O GLY A 28 -8.835 15.826 5.565 1.00 0.00 O ATOM 0 H GLY A 28 -4.994 15.125 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.092 15.537 5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.561 17.112 5.179 1.00 0.00 H new ATOM 208 N GLU A 29 -8.195 14.808 3.661 1.00 0.00 N ATOM 209 CA GLU A 29 -9.517 14.269 3.382 1.00 0.00 C ATOM 210 C GLU A 29 -9.447 12.761 3.219 1.00 0.00 C ATOM 211 O GLU A 29 -10.204 12.174 2.449 1.00 0.00 O ATOM 212 CB GLU A 29 -10.110 14.913 2.128 1.00 0.00 C ATOM 213 CG GLU A 29 -10.831 16.222 2.398 1.00 0.00 C ATOM 214 CD GLU A 29 -11.759 16.621 1.267 1.00 0.00 C ATOM 215 OE1 GLU A 29 -12.672 15.833 0.944 1.00 0.00 O ATOM 216 OE2 GLU A 29 -11.571 17.720 0.704 1.00 0.00 O ATOM 0 H GLU A 29 -7.486 14.569 2.968 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.167 14.500 4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.311 15.090 1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.806 14.213 1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.406 16.133 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.096 17.011 2.556 1.00 0.00 H new ATOM 223 N ILE A 30 -8.524 12.158 3.970 1.00 0.00 N ATOM 224 CA ILE A 30 -8.299 10.705 3.971 1.00 0.00 C ATOM 225 C ILE A 30 -8.967 9.997 2.794 1.00 0.00 C ATOM 226 O ILE A 30 -8.323 9.674 1.797 1.00 0.00 O ATOM 227 CB ILE A 30 -8.791 10.057 5.283 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.849 10.924 5.959 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.630 9.808 6.233 1.00 0.00 C ATOM 230 CD1 ILE A 30 -10.884 10.113 6.697 1.00 0.00 C ATOM 0 H ILE A 30 -7.904 12.666 4.601 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.220 10.580 3.878 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.243 9.098 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.362 11.605 6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.344 11.538 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.002 9.351 7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.910 9.140 5.761 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.145 10.755 6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.610 10.783 7.158 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.394 9.451 5.997 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.397 9.519 7.470 1.00 0.00 H new ATOM 242 N LEU A 31 -10.262 9.764 2.937 1.00 0.00 N ATOM 243 CA LEU A 31 -11.064 9.093 1.918 1.00 0.00 C ATOM 244 C LEU A 31 -12.468 8.864 2.454 1.00 0.00 C ATOM 245 O LEU A 31 -13.460 9.199 1.808 1.00 0.00 O ATOM 246 CB LEU A 31 -10.437 7.753 1.522 1.00 0.00 C ATOM 247 CG LEU A 31 -10.850 7.230 0.147 1.00 0.00 C ATOM 248 CD1 LEU A 31 -9.967 7.828 -0.938 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.786 5.710 0.115 1.00 0.00 C ATOM 0 H LEU A 31 -10.792 10.035 3.766 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.103 9.726 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.352 7.855 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.703 7.008 2.272 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.879 7.534 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.275 7.444 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.064 8.914 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.928 7.555 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.083 5.354 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.768 5.384 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.461 5.301 0.867 1.00 0.00 H new ATOM 261 N GLY A 32 -12.534 8.307 3.660 1.00 0.00 N ATOM 262 CA GLY A 32 -13.812 8.058 4.294 1.00 0.00 C ATOM 263 C GLY A 32 -14.358 6.665 4.044 1.00 0.00 C ATOM 264 O GLY A 32 -15.359 6.508 3.344 1.00 0.00 O ATOM 0 H GLY A 32 -11.722 8.024 4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.710 8.211 5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.534 8.791 3.935 1.00 0.00 H new ATOM 268 N VAL A 33 -13.723 5.654 4.628 1.00 0.00 N ATOM 269 CA VAL A 33 -14.189 4.273 4.473 1.00 0.00 C ATOM 270 C VAL A 33 -13.768 3.400 5.654 1.00 0.00 C ATOM 271 O VAL A 33 -12.790 3.693 6.339 1.00 0.00 O ATOM 272 CB VAL A 33 -13.721 3.626 3.138 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.572 4.675 2.045 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.419 2.845 3.309 1.00 0.00 C ATOM 0 H VAL A 33 -12.891 5.759 5.209 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.277 4.328 4.448 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.494 2.919 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.244 4.195 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.531 5.165 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.834 5.417 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.128 2.410 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.634 3.517 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.565 2.050 4.040 1.00 0.00 H new ATOM 284 N VAL A 34 -14.513 2.324 5.879 1.00 0.00 N ATOM 285 CA VAL A 34 -14.219 1.399 6.969 1.00 0.00 C ATOM 286 C VAL A 34 -13.917 0.010 6.423 1.00 0.00 C ATOM 287 O VAL A 34 -14.681 -0.535 5.628 1.00 0.00 O ATOM 288 CB VAL A 34 -15.389 1.304 7.967 1.00 0.00 C ATOM 289 CG1 VAL A 34 -15.048 0.375 9.123 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.763 2.684 8.477 1.00 0.00 C ATOM 0 H VAL A 34 -15.327 2.070 5.320 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.346 1.788 7.493 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.249 0.884 7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.891 0.327 9.812 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.836 -0.623 8.738 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.172 0.754 9.648 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.591 2.600 9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.905 3.132 8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.062 3.313 7.639 1.00 0.00 H new ATOM 300 N ILE A 35 -12.797 -0.555 6.854 1.00 0.00 N ATOM 301 CA ILE A 35 -12.387 -1.876 6.411 1.00 0.00 C ATOM 302 C ILE A 35 -12.272 -2.843 7.583 1.00 0.00 C ATOM 303 O ILE A 35 -11.826 -2.471 8.669 1.00 0.00 O ATOM 304 CB ILE A 35 -11.044 -1.827 5.668 1.00 0.00 C ATOM 305 CG1 ILE A 35 -10.119 -0.786 6.290 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.264 -1.537 4.192 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.661 -1.149 6.171 1.00 0.00 C ATOM 0 H ILE A 35 -12.155 -0.115 7.513 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.159 -2.231 5.728 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.566 -2.802 5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.289 0.177 5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.373 -0.665 7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.302 -1.506 3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.882 -2.321 3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.766 -0.576 4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.053 -0.370 6.632 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.480 -2.097 6.677 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.394 -1.242 5.118 1.00 0.00 H new ATOM 319 N VAL A 36 -12.679 -4.087 7.354 1.00 0.00 N ATOM 320 CA VAL A 36 -12.625 -5.114 8.388 1.00 0.00 C ATOM 321 C VAL A 36 -12.096 -6.429 7.826 1.00 0.00 C ATOM 322 O VAL A 36 -12.068 -6.628 6.615 1.00 0.00 O ATOM 323 CB VAL A 36 -14.016 -5.354 9.008 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.550 -4.076 9.633 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.985 -5.889 7.962 1.00 0.00 C ATOM 0 H VAL A 36 -13.050 -4.409 6.460 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.947 -4.754 9.162 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.917 -6.103 9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.533 -4.265 10.065 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.868 -3.741 10.415 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.633 -3.304 8.868 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.961 -6.052 8.420 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.080 -5.167 7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.608 -6.832 7.566 1.00 0.00 H new ATOM 335 N GLU A 37 -11.678 -7.328 8.714 1.00 0.00 N ATOM 336 CA GLU A 37 -11.156 -8.626 8.297 1.00 0.00 C ATOM 337 C GLU A 37 -12.115 -9.315 7.331 1.00 0.00 C ATOM 338 O GLU A 37 -13.327 -9.335 7.551 1.00 0.00 O ATOM 339 CB GLU A 37 -10.909 -9.516 9.518 1.00 0.00 C ATOM 340 CG GLU A 37 -9.699 -9.098 10.336 1.00 0.00 C ATOM 341 CD GLU A 37 -9.806 -9.510 11.792 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.376 -10.636 12.124 1.00 0.00 O ATOM 343 OE2 GLU A 37 -10.319 -8.708 12.600 1.00 0.00 O ATOM 0 H GLU A 37 -11.691 -7.182 9.723 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.210 -8.461 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.793 -9.498 10.156 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.776 -10.546 9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.802 -9.540 9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.582 -8.016 10.277 1.00 0.00 H new ATOM 350 N SER A 38 -11.565 -9.866 6.255 1.00 0.00 N ATOM 351 CA SER A 38 -12.368 -10.544 5.244 1.00 0.00 C ATOM 352 C SER A 38 -12.773 -11.946 5.695 1.00 0.00 C ATOM 353 O SER A 38 -12.128 -12.934 5.347 1.00 0.00 O ATOM 354 CB SER A 38 -11.595 -10.613 3.925 1.00 0.00 C ATOM 355 OG SER A 38 -10.639 -11.658 3.941 1.00 0.00 O ATOM 0 H SER A 38 -10.564 -9.856 6.060 1.00 0.00 H new ATOM 0 HA SER A 38 -13.282 -9.968 5.098 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.291 -10.767 3.101 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.094 -9.662 3.745 1.00 0.00 H new ATOM 0 HG SER A 38 -11.091 -12.513 4.102 1.00 0.00 H new ATOM 361 N GLY A 39 -13.851 -12.022 6.469 1.00 0.00 N ATOM 362 CA GLY A 39 -14.328 -13.306 6.952 1.00 0.00 C ATOM 363 C GLY A 39 -15.116 -14.076 5.907 1.00 0.00 C ATOM 364 O GLY A 39 -15.457 -15.239 6.113 1.00 0.00 O ATOM 0 H GLY A 39 -14.403 -11.219 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.477 -13.907 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.956 -13.148 7.829 1.00 0.00 H new ATOM 368 N TRP A 40 -15.394 -13.426 4.781 1.00 0.00 N ATOM 369 CA TRP A 40 -16.130 -14.051 3.685 1.00 0.00 C ATOM 370 C TRP A 40 -15.436 -15.342 3.243 1.00 0.00 C ATOM 371 O TRP A 40 -14.606 -15.888 3.968 1.00 0.00 O ATOM 372 CB TRP A 40 -16.202 -13.073 2.511 1.00 0.00 C ATOM 373 CG TRP A 40 -14.854 -12.769 1.932 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.651 -12.842 2.579 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.564 -12.350 0.595 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.636 -12.506 1.723 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.169 -12.197 0.503 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.347 -12.092 -0.532 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.540 -11.801 -0.666 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -14.720 -11.694 -1.699 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.326 -11.552 -1.759 1.00 0.00 C ATOM 0 H TRP A 40 -15.119 -12.460 4.602 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.136 -14.299 4.023 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -16.842 -13.491 1.734 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.668 -12.146 2.843 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.521 -13.123 3.614 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.644 -12.489 1.958 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.421 -12.201 -0.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.467 -11.692 -0.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.313 -11.489 -2.578 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -12.864 -11.241 -2.684 1.00 0.00 H new ATOM 392 N GLY A 41 -15.757 -15.819 2.038 1.00 0.00 N ATOM 393 CA GLY A 41 -15.125 -17.028 1.533 1.00 0.00 C ATOM 394 C GLY A 41 -13.612 -16.968 1.663 1.00 0.00 C ATOM 395 O GLY A 41 -12.943 -17.996 1.757 1.00 0.00 O ATOM 0 H GLY A 41 -16.437 -15.393 1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.503 -17.892 2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.395 -17.170 0.487 1.00 0.00 H new ATOM 399 N SER A 42 -13.085 -15.743 1.674 1.00 0.00 N ATOM 400 CA SER A 42 -11.652 -15.498 1.803 1.00 0.00 C ATOM 401 C SER A 42 -10.942 -15.623 0.475 1.00 0.00 C ATOM 402 O SER A 42 -9.779 -16.021 0.412 1.00 0.00 O ATOM 403 CB SER A 42 -11.010 -16.421 2.833 1.00 0.00 C ATOM 404 OG SER A 42 -11.947 -16.829 3.814 1.00 0.00 O ATOM 0 H SER A 42 -13.643 -14.893 1.593 1.00 0.00 H new ATOM 0 HA SER A 42 -11.543 -14.471 2.153 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.599 -17.298 2.333 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.177 -15.909 3.314 1.00 0.00 H new ATOM 0 HG SER A 42 -12.406 -17.640 3.511 1.00 0.00 H new ATOM 410 N ILE A 43 -11.640 -15.240 -0.577 1.00 0.00 N ATOM 411 CA ILE A 43 -11.083 -15.259 -1.910 1.00 0.00 C ATOM 412 C ILE A 43 -9.697 -14.618 -1.907 1.00 0.00 C ATOM 413 O ILE A 43 -8.761 -15.104 -2.545 1.00 0.00 O ATOM 414 CB ILE A 43 -12.005 -14.484 -2.845 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.356 -15.186 -2.928 1.00 0.00 C ATOM 416 CG2 ILE A 43 -11.378 -14.328 -4.209 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.455 -14.306 -3.465 1.00 0.00 C ATOM 0 H ILE A 43 -12.604 -14.909 -0.529 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.993 -16.290 -2.251 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.160 -13.482 -2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.262 -16.066 -3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.635 -15.539 -1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.054 -13.772 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.436 -13.787 -4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.190 -15.312 -4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.388 -14.868 -3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.576 -13.439 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.197 -13.974 -4.470 1.00 0.00 H new ATOM 429 N LEU A 44 -9.592 -13.530 -1.156 1.00 0.00 N ATOM 430 CA LEU A 44 -8.352 -12.784 -1.006 1.00 0.00 C ATOM 431 C LEU A 44 -8.289 -12.198 0.404 1.00 0.00 C ATOM 432 O LEU A 44 -8.883 -11.154 0.672 1.00 0.00 O ATOM 433 CB LEU A 44 -8.276 -11.660 -2.041 1.00 0.00 C ATOM 434 CG LEU A 44 -8.373 -12.105 -3.505 1.00 0.00 C ATOM 435 CD1 LEU A 44 -9.395 -11.266 -4.254 1.00 0.00 C ATOM 436 CD2 LEU A 44 -7.012 -12.020 -4.182 1.00 0.00 C ATOM 0 H LEU A 44 -10.373 -13.138 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.508 -13.455 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.079 -10.950 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.336 -11.125 -1.903 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.702 -13.144 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.449 -11.598 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.373 -11.380 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.098 -10.218 -4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.101 -12.340 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.653 -10.991 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.306 -12.668 -3.662 1.00 0.00 H new ATOM 448 N PRO A 45 -7.591 -12.870 1.334 1.00 0.00 N ATOM 449 CA PRO A 45 -7.486 -12.414 2.725 1.00 0.00 C ATOM 450 C PRO A 45 -6.938 -10.998 2.850 1.00 0.00 C ATOM 451 O PRO A 45 -5.728 -10.799 2.945 1.00 0.00 O ATOM 452 CB PRO A 45 -6.523 -13.420 3.375 1.00 0.00 C ATOM 453 CG PRO A 45 -5.865 -14.131 2.240 1.00 0.00 C ATOM 454 CD PRO A 45 -6.865 -14.133 1.120 1.00 0.00 C ATOM 0 HA PRO A 45 -8.466 -12.376 3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.788 -12.912 3.999 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.059 -14.118 4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.946 -13.625 1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.592 -15.148 2.522 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.380 -14.161 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.529 -14.996 1.171 1.00 0.00 H new ATOM 462 N THR A 46 -7.836 -10.013 2.867 1.00 0.00 N ATOM 463 CA THR A 46 -7.426 -8.619 2.996 1.00 0.00 C ATOM 464 C THR A 46 -8.358 -7.856 3.945 1.00 0.00 C ATOM 465 O THR A 46 -8.130 -7.830 5.154 1.00 0.00 O ATOM 466 CB THR A 46 -7.368 -7.940 1.623 1.00 0.00 C ATOM 467 OG1 THR A 46 -7.548 -6.542 1.749 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.404 -8.459 0.651 1.00 0.00 C ATOM 0 H THR A 46 -8.843 -10.155 2.794 1.00 0.00 H new ATOM 0 HA THR A 46 -6.425 -8.601 3.426 1.00 0.00 H new ATOM 0 HB THR A 46 -6.380 -8.174 1.226 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.433 -6.117 0.873 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.306 -7.935 -0.300 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.253 -9.527 0.494 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.401 -8.290 1.057 1.00 0.00 H new ATOM 476 N VAL A 47 -9.405 -7.235 3.400 1.00 0.00 N ATOM 477 CA VAL A 47 -10.354 -6.483 4.217 1.00 0.00 C ATOM 478 C VAL A 47 -11.680 -6.283 3.487 1.00 0.00 C ATOM 479 O VAL A 47 -11.779 -6.522 2.283 1.00 0.00 O ATOM 480 CB VAL A 47 -9.794 -5.104 4.623 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.969 -5.215 5.897 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.969 -4.499 3.496 1.00 0.00 C ATOM 0 H VAL A 47 -9.615 -7.238 2.402 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.522 -7.075 5.116 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.636 -4.439 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.583 -4.232 6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.596 -5.593 6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.137 -5.899 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.585 -3.527 3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.135 -5.160 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.595 -4.376 2.612 1.00 0.00 H new ATOM 492 N ILE A 48 -12.699 -5.847 4.226 1.00 0.00 N ATOM 493 CA ILE A 48 -14.022 -5.622 3.647 1.00 0.00 C ATOM 494 C ILE A 48 -14.559 -4.240 3.986 1.00 0.00 C ATOM 495 O ILE A 48 -14.583 -3.845 5.151 1.00 0.00 O ATOM 496 CB ILE A 48 -15.062 -6.656 4.144 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.408 -7.759 4.975 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.815 -7.254 2.970 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.398 -8.770 5.511 1.00 0.00 C ATOM 0 H ILE A 48 -12.634 -5.643 5.223 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.885 -5.722 2.570 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.768 -6.132 4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.667 -8.275 4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.873 -7.307 5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.542 -7.979 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.332 -6.462 2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.112 -7.751 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.868 -9.525 6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -16.124 -8.266 6.148 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.916 -9.248 4.680 1.00 0.00 H new ATOM 511 N ILE A 49 -15.029 -3.520 2.973 1.00 0.00 N ATOM 512 CA ILE A 49 -15.604 -2.216 3.185 1.00 0.00 C ATOM 513 C ILE A 49 -16.919 -2.367 3.920 1.00 0.00 C ATOM 514 O ILE A 49 -17.980 -2.506 3.314 1.00 0.00 O ATOM 515 CB ILE A 49 -15.822 -1.486 1.860 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.508 -1.425 1.092 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.372 -0.095 2.102 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.620 -0.715 -0.231 1.00 0.00 C ATOM 0 H ILE A 49 -15.019 -3.826 2.000 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.913 -1.621 3.782 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.553 -2.033 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.761 -0.920 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.148 -2.440 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.520 0.409 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.325 -0.167 2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.667 0.475 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.648 -0.709 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.343 -1.232 -0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.950 0.311 -0.067 1.00 0.00 H new ATOM 530 N ALA A 50 -16.823 -2.375 5.235 1.00 0.00 N ATOM 531 CA ALA A 50 -17.978 -2.546 6.090 1.00 0.00 C ATOM 532 C ALA A 50 -18.700 -1.224 6.338 1.00 0.00 C ATOM 533 O ALA A 50 -19.830 -1.208 6.829 1.00 0.00 O ATOM 534 CB ALA A 50 -17.534 -3.177 7.392 1.00 0.00 C ATOM 0 H ALA A 50 -15.943 -2.263 5.739 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.692 -3.201 5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.397 -3.311 8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.078 -4.146 7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.806 -2.529 7.881 1.00 0.00 H new ATOM 540 N ASN A 51 -18.052 -0.118 5.988 1.00 0.00 N ATOM 541 CA ASN A 51 -18.648 1.200 6.170 1.00 0.00 C ATOM 542 C ASN A 51 -17.970 2.232 5.274 1.00 0.00 C ATOM 543 O ASN A 51 -16.854 2.020 4.804 1.00 0.00 O ATOM 544 CB ASN A 51 -18.560 1.629 7.635 1.00 0.00 C ATOM 545 CG ASN A 51 -19.924 1.759 8.286 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.477 2.852 8.382 1.00 0.00 O ATOM 547 ND2 ASN A 51 -20.473 0.636 8.736 1.00 0.00 N ATOM 0 H ASN A 51 -17.118 -0.108 5.578 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.699 1.139 5.886 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.965 0.902 8.188 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -18.038 2.584 7.700 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -21.390 0.660 9.182 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.978 -0.250 8.635 1.00 0.00 H new ATOM 554 N MET A 52 -18.654 3.349 5.037 1.00 0.00 N ATOM 555 CA MET A 52 -18.111 4.406 4.192 1.00 0.00 C ATOM 556 C MET A 52 -18.582 5.783 4.648 1.00 0.00 C ATOM 557 O MET A 52 -19.764 5.991 4.921 1.00 0.00 O ATOM 558 CB MET A 52 -18.505 4.172 2.734 1.00 0.00 C ATOM 559 CG MET A 52 -17.640 4.925 1.735 1.00 0.00 C ATOM 560 SD MET A 52 -17.368 3.999 0.210 1.00 0.00 S ATOM 561 CE MET A 52 -18.947 3.173 0.021 1.00 0.00 C ATOM 0 H MET A 52 -19.580 3.544 5.417 1.00 0.00 H new ATOM 0 HA MET A 52 -17.025 4.377 4.279 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.447 3.105 2.519 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.545 4.469 2.596 1.00 0.00 H new ATOM 0 HG2 MET A 52 -18.113 5.878 1.497 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.678 5.153 2.193 1.00 0.00 H new ATOM 0 HE1 MET A 52 -18.854 2.134 0.337 1.00 0.00 H new ATOM 0 HE2 MET A 52 -19.695 3.674 0.635 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.253 3.208 -1.025 1.00 0.00 H new ATOM 571 N MET A 53 -17.642 6.719 4.721 1.00 0.00 N ATOM 572 CA MET A 53 -17.939 8.085 5.135 1.00 0.00 C ATOM 573 C MET A 53 -18.743 8.807 4.061 1.00 0.00 C ATOM 574 O MET A 53 -18.183 9.524 3.232 1.00 0.00 O ATOM 575 CB MET A 53 -16.637 8.843 5.414 1.00 0.00 C ATOM 576 CG MET A 53 -16.740 9.849 6.551 1.00 0.00 C ATOM 577 SD MET A 53 -15.469 9.615 7.812 1.00 0.00 S ATOM 578 CE MET A 53 -13.991 10.085 6.911 1.00 0.00 C ATOM 0 H MET A 53 -16.661 6.554 4.497 1.00 0.00 H new ATOM 0 HA MET A 53 -18.534 8.049 6.048 1.00 0.00 H new ATOM 0 HB2 MET A 53 -15.853 8.124 5.649 1.00 0.00 H new ATOM 0 HB3 MET A 53 -16.330 9.365 4.507 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.661 10.858 6.145 1.00 0.00 H new ATOM 0 HG3 MET A 53 -17.723 9.767 7.014 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.244 9.297 7.001 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.237 10.233 5.860 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.593 11.012 7.324 1.00 0.00 H new ATOM 588 N HIS A 54 -20.058 8.605 4.078 1.00 0.00 N ATOM 589 CA HIS A 54 -20.946 9.232 3.104 1.00 0.00 C ATOM 590 C HIS A 54 -20.792 10.751 3.118 1.00 0.00 C ATOM 591 O HIS A 54 -21.541 11.452 3.796 1.00 0.00 O ATOM 592 CB HIS A 54 -22.400 8.847 3.394 1.00 0.00 C ATOM 593 CG HIS A 54 -23.087 8.183 2.241 1.00 0.00 C ATOM 594 ND1 HIS A 54 -23.693 8.883 1.219 1.00 0.00 N ATOM 595 CD2 HIS A 54 -23.264 6.871 1.952 1.00 0.00 C ATOM 596 CE1 HIS A 54 -24.213 8.033 0.353 1.00 0.00 C ATOM 597 NE2 HIS A 54 -23.965 6.807 0.773 1.00 0.00 N ATOM 0 H HIS A 54 -20.533 8.011 4.757 1.00 0.00 H new ATOM 0 HA HIS A 54 -20.671 8.872 2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.425 8.179 4.255 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -22.956 9.743 3.670 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.919 6.033 2.539 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -24.750 8.296 -0.546 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -24.248 5.950 0.298 1.00 0.00 H new ATOM 606 N GLY A 55 -19.818 11.253 2.364 1.00 0.00 N ATOM 607 CA GLY A 55 -19.590 12.685 2.311 1.00 0.00 C ATOM 608 C GLY A 55 -18.230 13.032 1.746 1.00 0.00 C ATOM 609 O GLY A 55 -18.049 14.095 1.152 1.00 0.00 O ATOM 0 H GLY A 55 -19.185 10.695 1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.364 13.151 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.681 13.102 3.314 1.00 0.00 H new ATOM 613 N GLY A 56 -17.273 12.128 1.926 1.00 0.00 N ATOM 614 CA GLY A 56 -15.935 12.360 1.420 1.00 0.00 C ATOM 615 C GLY A 56 -15.797 11.953 -0.035 1.00 0.00 C ATOM 616 O GLY A 56 -16.798 11.745 -0.720 1.00 0.00 O ATOM 0 H GLY A 56 -17.401 11.241 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.686 13.416 1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.218 11.801 2.022 1.00 0.00 H new ATOM 620 N PRO A 57 -14.560 11.831 -0.540 1.00 0.00 N ATOM 621 CA PRO A 57 -14.312 11.441 -1.931 1.00 0.00 C ATOM 622 C PRO A 57 -14.687 9.988 -2.205 1.00 0.00 C ATOM 623 O PRO A 57 -14.825 9.583 -3.359 1.00 0.00 O ATOM 624 CB PRO A 57 -12.806 11.646 -2.097 1.00 0.00 C ATOM 625 CG PRO A 57 -12.253 11.510 -0.722 1.00 0.00 C ATOM 626 CD PRO A 57 -13.305 12.056 0.203 1.00 0.00 C ATOM 0 HA PRO A 57 -14.914 12.024 -2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.377 10.905 -2.771 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.584 12.626 -2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.033 10.468 -0.491 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.319 12.063 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.306 11.537 1.162 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.146 13.114 0.413 1.00 0.00 H new ATOM 634 N ALA A 58 -14.849 9.204 -1.142 1.00 0.00 N ATOM 635 CA ALA A 58 -15.205 7.801 -1.282 1.00 0.00 C ATOM 636 C ALA A 58 -16.579 7.655 -1.920 1.00 0.00 C ATOM 637 O ALA A 58 -16.758 6.902 -2.877 1.00 0.00 O ATOM 638 CB ALA A 58 -15.172 7.109 0.072 1.00 0.00 C ATOM 0 H ALA A 58 -14.739 9.519 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.473 7.325 -1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.441 6.060 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.169 7.181 0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.883 7.590 0.744 1.00 0.00 H new ATOM 644 N GLU A 59 -17.545 8.389 -1.383 1.00 0.00 N ATOM 645 CA GLU A 59 -18.909 8.357 -1.893 1.00 0.00 C ATOM 646 C GLU A 59 -19.030 9.185 -3.170 1.00 0.00 C ATOM 647 O GLU A 59 -19.761 8.823 -4.093 1.00 0.00 O ATOM 648 CB GLU A 59 -19.878 8.885 -0.832 1.00 0.00 C ATOM 649 CG GLU A 59 -20.931 7.874 -0.415 1.00 0.00 C ATOM 650 CD GLU A 59 -20.333 6.651 0.254 1.00 0.00 C ATOM 651 OE1 GLU A 59 -19.975 5.695 -0.465 1.00 0.00 O ATOM 652 OE2 GLU A 59 -20.223 6.650 1.498 1.00 0.00 O ATOM 0 H GLU A 59 -17.408 9.016 -0.591 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.164 7.324 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.310 9.190 0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.374 9.776 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.635 8.349 0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.498 7.563 -1.292 1.00 0.00 H new ATOM 659 N LYS A 60 -18.311 10.302 -3.211 1.00 0.00 N ATOM 660 CA LYS A 60 -18.337 11.195 -4.361 1.00 0.00 C ATOM 661 C LYS A 60 -17.787 10.508 -5.606 1.00 0.00 C ATOM 662 O LYS A 60 -18.324 10.667 -6.702 1.00 0.00 O ATOM 663 CB LYS A 60 -17.529 12.459 -4.068 1.00 0.00 C ATOM 664 CG LYS A 60 -18.281 13.482 -3.233 1.00 0.00 C ATOM 665 CD LYS A 60 -17.586 14.833 -3.253 1.00 0.00 C ATOM 666 CE LYS A 60 -18.404 15.891 -2.528 1.00 0.00 C ATOM 667 NZ LYS A 60 -17.755 17.231 -2.583 1.00 0.00 N ATOM 0 H LYS A 60 -17.700 10.611 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.376 11.466 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.612 12.182 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.234 12.918 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.297 13.588 -3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.361 13.127 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.605 14.746 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.421 15.143 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -19.397 15.950 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.539 15.596 -1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.344 17.923 -2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.818 17.181 -2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.649 17.525 -3.575 1.00 0.00 H new ATOM 681 N SER A 61 -16.708 9.750 -5.435 1.00 0.00 N ATOM 682 CA SER A 61 -16.077 9.044 -6.547 1.00 0.00 C ATOM 683 C SER A 61 -17.114 8.322 -7.404 1.00 0.00 C ATOM 684 O SER A 61 -17.392 8.728 -8.533 1.00 0.00 O ATOM 685 CB SER A 61 -15.042 8.045 -6.023 1.00 0.00 C ATOM 686 OG SER A 61 -13.735 8.402 -6.438 1.00 0.00 O ATOM 0 H SER A 61 -16.251 9.608 -4.534 1.00 0.00 H new ATOM 0 HA SER A 61 -15.576 9.783 -7.172 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.085 8.009 -4.934 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.281 7.045 -6.384 1.00 0.00 H new ATOM 0 HG SER A 61 -13.453 9.215 -5.968 1.00 0.00 H new ATOM 692 N GLY A 62 -17.686 7.253 -6.861 1.00 0.00 N ATOM 693 CA GLY A 62 -18.689 6.498 -7.592 1.00 0.00 C ATOM 694 C GLY A 62 -18.204 5.120 -8.003 1.00 0.00 C ATOM 695 O GLY A 62 -18.809 4.473 -8.856 1.00 0.00 O ATOM 0 H GLY A 62 -17.474 6.896 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.581 6.395 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -18.980 7.056 -8.482 1.00 0.00 H new ATOM 699 N LYS A 63 -17.113 4.667 -7.392 1.00 0.00 N ATOM 700 CA LYS A 63 -16.556 3.352 -7.698 1.00 0.00 C ATOM 701 C LYS A 63 -16.546 2.464 -6.460 1.00 0.00 C ATOM 702 O LYS A 63 -16.692 1.245 -6.558 1.00 0.00 O ATOM 703 CB LYS A 63 -15.138 3.460 -8.275 1.00 0.00 C ATOM 704 CG LYS A 63 -14.378 4.709 -7.860 1.00 0.00 C ATOM 705 CD LYS A 63 -14.166 5.647 -9.037 1.00 0.00 C ATOM 706 CE LYS A 63 -15.242 6.717 -9.096 1.00 0.00 C ATOM 707 NZ LYS A 63 -15.421 7.254 -10.474 1.00 0.00 N ATOM 0 H LYS A 63 -16.598 5.189 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.198 2.899 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.567 2.584 -7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.200 3.433 -9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.928 5.227 -7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.413 4.426 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.187 6.118 -8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.169 5.075 -9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.186 6.301 -8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.980 7.532 -8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.164 7.981 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.528 7.674 -10.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.696 6.482 -11.114 1.00 0.00 H new ATOM 721 N LEU A 64 -16.373 3.077 -5.292 1.00 0.00 N ATOM 722 CA LEU A 64 -16.348 2.334 -4.040 1.00 0.00 C ATOM 723 C LEU A 64 -17.757 2.124 -3.503 1.00 0.00 C ATOM 724 O LEU A 64 -18.523 3.075 -3.345 1.00 0.00 O ATOM 725 CB LEU A 64 -15.499 3.067 -3.000 1.00 0.00 C ATOM 726 CG LEU A 64 -13.988 2.935 -3.193 1.00 0.00 C ATOM 727 CD1 LEU A 64 -13.242 3.586 -2.039 1.00 0.00 C ATOM 728 CD2 LEU A 64 -13.592 1.472 -3.331 1.00 0.00 C ATOM 0 H LEU A 64 -16.249 4.084 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.904 1.358 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.762 4.125 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.758 2.691 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.713 3.452 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.168 3.482 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.500 4.644 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.522 3.100 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.513 1.398 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.882 0.930 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.097 1.038 -4.194 1.00 0.00 H new ATOM 740 N ASN A 65 -18.088 0.871 -3.221 1.00 0.00 N ATOM 741 CA ASN A 65 -19.403 0.524 -2.696 1.00 0.00 C ATOM 742 C ASN A 65 -19.280 -0.558 -1.631 1.00 0.00 C ATOM 743 O ASN A 65 -18.625 -1.578 -1.845 1.00 0.00 O ATOM 744 CB ASN A 65 -20.319 0.048 -3.825 1.00 0.00 C ATOM 745 CG ASN A 65 -20.330 1.005 -5.002 1.00 0.00 C ATOM 746 OD1 ASN A 65 -19.315 0.906 -5.852 1.00 0.00 O flip ATOM 747 ND2 ASN A 65 -21.240 1.821 -5.146 1.00 0.00 N flip ATOM 0 H ASN A 65 -17.462 0.075 -3.347 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.839 1.414 -2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.994 -0.936 -4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -21.333 -0.066 -3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -22.001 1.862 -4.468 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -21.234 2.456 -5.944 1.00 0.00 H new ATOM 754 N ILE A 66 -19.904 -0.326 -0.480 1.00 0.00 N ATOM 755 CA ILE A 66 -19.857 -1.275 0.621 1.00 0.00 C ATOM 756 C ILE A 66 -20.087 -2.708 0.149 1.00 0.00 C ATOM 757 O ILE A 66 -20.872 -2.958 -0.765 1.00 0.00 O ATOM 758 CB ILE A 66 -20.886 -0.899 1.693 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.470 0.425 2.321 1.00 0.00 C ATOM 760 CG2 ILE A 66 -21.007 -1.988 2.752 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.231 0.323 3.177 1.00 0.00 C ATOM 0 H ILE A 66 -20.449 0.514 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.856 -1.227 1.051 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.867 -0.796 1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.296 1.154 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.292 0.804 2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.745 -1.690 3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.322 -2.920 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -20.041 -2.134 3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -18.994 1.303 3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.407 -0.382 3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.396 -0.026 2.569 1.00 0.00 H new ATOM 773 N GLY A 67 -19.384 -3.638 0.781 1.00 0.00 N ATOM 774 CA GLY A 67 -19.504 -5.037 0.421 1.00 0.00 C ATOM 775 C GLY A 67 -18.432 -5.482 -0.559 1.00 0.00 C ATOM 776 O GLY A 67 -18.519 -6.570 -1.129 1.00 0.00 O ATOM 0 H GLY A 67 -18.730 -3.447 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.443 -5.647 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.487 -5.213 -0.017 1.00 0.00 H new ATOM 780 N ASP A 68 -17.417 -4.643 -0.756 1.00 0.00 N ATOM 781 CA ASP A 68 -16.328 -4.964 -1.673 1.00 0.00 C ATOM 782 C ASP A 68 -15.058 -5.307 -0.904 1.00 0.00 C ATOM 783 O ASP A 68 -14.913 -4.950 0.265 1.00 0.00 O ATOM 784 CB ASP A 68 -16.066 -3.793 -2.619 1.00 0.00 C ATOM 785 CG ASP A 68 -17.299 -3.395 -3.407 1.00 0.00 C ATOM 786 OD1 ASP A 68 -18.415 -3.787 -3.002 1.00 0.00 O ATOM 787 OD2 ASP A 68 -17.150 -2.694 -4.429 1.00 0.00 O ATOM 0 H ASP A 68 -17.327 -3.738 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.624 -5.834 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.715 -2.937 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.268 -4.061 -3.311 1.00 0.00 H new ATOM 792 N GLN A 69 -14.139 -6.003 -1.566 1.00 0.00 N ATOM 793 CA GLN A 69 -12.880 -6.392 -0.936 1.00 0.00 C ATOM 794 C GLN A 69 -11.699 -5.686 -1.597 1.00 0.00 C ATOM 795 O GLN A 69 -11.401 -5.920 -2.769 1.00 0.00 O ATOM 796 CB GLN A 69 -12.687 -7.908 -1.015 1.00 0.00 C ATOM 797 CG GLN A 69 -13.415 -8.671 0.080 1.00 0.00 C ATOM 798 CD GLN A 69 -12.514 -9.030 1.244 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.831 -8.746 2.397 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.384 -9.658 0.946 1.00 0.00 N ATOM 0 H GLN A 69 -14.241 -6.308 -2.534 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.923 -6.093 0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.036 -8.260 -1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.622 -8.134 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.248 -8.069 0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.840 -9.583 -0.340 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.161 -9.874 -0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.738 -9.925 1.689 1.00 0.00 H new ATOM 809 N ILE A 70 -11.031 -4.822 -0.839 1.00 0.00 N ATOM 810 CA ILE A 70 -9.881 -4.082 -1.351 1.00 0.00 C ATOM 811 C ILE A 70 -8.605 -4.906 -1.225 1.00 0.00 C ATOM 812 O ILE A 70 -8.369 -5.536 -0.199 1.00 0.00 O ATOM 813 CB ILE A 70 -9.693 -2.746 -0.604 1.00 0.00 C ATOM 814 CG1 ILE A 70 -11.035 -2.029 -0.427 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.704 -1.860 -1.346 1.00 0.00 C ATOM 816 CD1 ILE A 70 -11.336 -1.658 1.010 1.00 0.00 C ATOM 0 H ILE A 70 -11.266 -4.617 0.132 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.078 -3.874 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.291 -2.959 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -11.038 -1.125 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.833 -2.669 -0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.582 -0.921 -0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.742 -2.367 -1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.079 -1.656 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -12.301 -1.154 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.365 -2.561 1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.558 -0.992 1.384 1.00 0.00 H new ATOM 828 N MET A 71 -7.787 -4.906 -2.274 1.00 0.00 N ATOM 829 CA MET A 71 -6.542 -5.670 -2.265 1.00 0.00 C ATOM 830 C MET A 71 -5.351 -4.804 -1.870 1.00 0.00 C ATOM 831 O MET A 71 -4.767 -4.989 -0.803 1.00 0.00 O ATOM 832 CB MET A 71 -6.288 -6.294 -3.638 1.00 0.00 C ATOM 833 CG MET A 71 -7.343 -7.304 -4.051 1.00 0.00 C ATOM 834 SD MET A 71 -7.478 -8.679 -2.894 1.00 0.00 S ATOM 835 CE MET A 71 -9.207 -8.576 -2.435 1.00 0.00 C ATOM 0 H MET A 71 -7.962 -4.389 -3.136 1.00 0.00 H new ATOM 0 HA MET A 71 -6.652 -6.459 -1.521 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.243 -5.502 -4.385 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.313 -6.781 -3.632 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.308 -6.804 -4.129 1.00 0.00 H new ATOM 0 HG3 MET A 71 -7.103 -7.690 -5.042 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.413 -9.283 -1.631 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.434 -7.565 -2.096 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.828 -8.817 -3.298 1.00 0.00 H new ATOM 845 N SER A 72 -4.978 -3.874 -2.743 1.00 0.00 N ATOM 846 CA SER A 72 -3.838 -3.003 -2.478 1.00 0.00 C ATOM 847 C SER A 72 -4.171 -1.541 -2.750 1.00 0.00 C ATOM 848 O SER A 72 -4.947 -1.224 -3.651 1.00 0.00 O ATOM 849 CB SER A 72 -2.646 -3.427 -3.335 1.00 0.00 C ATOM 850 OG SER A 72 -2.776 -2.949 -4.663 1.00 0.00 O ATOM 0 H SER A 72 -5.444 -3.704 -3.634 1.00 0.00 H new ATOM 0 HA SER A 72 -3.586 -3.100 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.724 -3.044 -2.896 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.568 -4.514 -3.343 1.00 0.00 H new ATOM 0 HG SER A 72 -2.000 -3.232 -5.190 1.00 0.00 H new ATOM 856 N ILE A 73 -3.568 -0.655 -1.964 1.00 0.00 N ATOM 857 CA ILE A 73 -3.782 0.773 -2.110 1.00 0.00 C ATOM 858 C ILE A 73 -2.467 1.490 -2.412 1.00 0.00 C ATOM 859 O ILE A 73 -1.526 1.436 -1.622 1.00 0.00 O ATOM 860 CB ILE A 73 -4.402 1.371 -0.837 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.712 0.661 -0.494 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.628 2.861 -1.013 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.681 -0.042 0.844 1.00 0.00 C ATOM 0 H ILE A 73 -2.923 -0.908 -1.215 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.471 0.916 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.709 1.223 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.523 1.390 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.937 -0.067 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.068 3.272 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.675 3.353 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.304 3.030 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.642 -0.524 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.892 -0.794 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.487 0.685 1.633 1.00 0.00 H new ATOM 875 N ASN A 74 -2.414 2.160 -3.557 1.00 0.00 N ATOM 876 CA ASN A 74 -1.217 2.888 -3.962 1.00 0.00 C ATOM 877 C ASN A 74 -0.020 1.950 -4.112 1.00 0.00 C ATOM 878 O ASN A 74 1.130 2.393 -4.099 1.00 0.00 O ATOM 879 CB ASN A 74 -0.894 3.983 -2.942 1.00 0.00 C ATOM 880 CG ASN A 74 -1.700 5.245 -3.176 1.00 0.00 C ATOM 881 OD1 ASN A 74 -2.464 5.340 -4.135 1.00 0.00 O ATOM 882 ND2 ASN A 74 -1.531 6.227 -2.295 1.00 0.00 N ATOM 0 H ASN A 74 -3.186 2.214 -4.222 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.416 3.344 -4.932 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.092 3.610 -1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.169 4.219 -2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.046 7.101 -2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.887 6.106 -1.514 1.00 0.00 H new ATOM 889 N GLY A 75 -0.293 0.656 -4.259 1.00 0.00 N ATOM 890 CA GLY A 75 0.778 -0.313 -4.415 1.00 0.00 C ATOM 891 C GLY A 75 0.919 -1.231 -3.216 1.00 0.00 C ATOM 892 O GLY A 75 1.382 -2.365 -3.346 1.00 0.00 O ATOM 0 H GLY A 75 -1.234 0.262 -4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.592 -0.913 -5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.718 0.214 -4.576 1.00 0.00 H new ATOM 896 N THR A 76 0.525 -0.745 -2.044 1.00 0.00 N ATOM 897 CA THR A 76 0.614 -1.532 -0.819 1.00 0.00 C ATOM 898 C THR A 76 -0.417 -2.656 -0.817 1.00 0.00 C ATOM 899 O THR A 76 -1.619 -2.407 -0.737 1.00 0.00 O ATOM 900 CB THR A 76 0.411 -0.637 0.400 1.00 0.00 C ATOM 901 OG1 THR A 76 1.065 0.606 0.226 1.00 0.00 O ATOM 902 CG2 THR A 76 0.919 -1.250 1.688 1.00 0.00 C ATOM 0 H THR A 76 0.141 0.191 -1.916 1.00 0.00 H new ATOM 0 HA THR A 76 1.608 -1.977 -0.774 1.00 0.00 H new ATOM 0 HB THR A 76 -0.668 -0.506 0.483 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.921 1.165 1.018 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.743 -0.560 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.393 -2.185 1.878 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.988 -1.446 1.601 1.00 0.00 H new ATOM 910 N SER A 77 0.062 -3.893 -0.908 1.00 0.00 N ATOM 911 CA SER A 77 -0.819 -5.057 -0.921 1.00 0.00 C ATOM 912 C SER A 77 -1.349 -5.367 0.476 1.00 0.00 C ATOM 913 O SER A 77 -0.633 -5.229 1.468 1.00 0.00 O ATOM 914 CB SER A 77 -0.078 -6.273 -1.478 1.00 0.00 C ATOM 915 OG SER A 77 1.167 -6.456 -0.825 1.00 0.00 O ATOM 0 H SER A 77 1.055 -4.116 -0.974 1.00 0.00 H new ATOM 0 HA SER A 77 -1.669 -4.826 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.692 -7.165 -1.354 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.085 -6.145 -2.548 1.00 0.00 H new ATOM 0 HG SER A 77 1.620 -7.241 -1.198 1.00 0.00 H new ATOM 921 N LEU A 78 -2.609 -5.788 0.545 1.00 0.00 N ATOM 922 CA LEU A 78 -3.241 -6.123 1.817 1.00 0.00 C ATOM 923 C LEU A 78 -3.501 -7.624 1.925 1.00 0.00 C ATOM 924 O LEU A 78 -3.673 -8.158 3.020 1.00 0.00 O ATOM 925 CB LEU A 78 -4.558 -5.360 1.974 1.00 0.00 C ATOM 926 CG LEU A 78 -4.453 -3.842 1.827 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.814 -3.192 2.016 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.448 -3.280 2.819 1.00 0.00 C ATOM 0 H LEU A 78 -3.214 -5.905 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.558 -5.832 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.266 -5.732 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.975 -5.586 2.955 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.104 -3.616 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.719 -2.112 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.506 -3.573 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.194 -3.425 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.386 -2.198 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.768 -3.516 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.469 -3.722 2.635 1.00 0.00 H new ATOM 940 N VAL A 79 -3.536 -8.301 0.781 1.00 0.00 N ATOM 941 CA VAL A 79 -3.783 -9.738 0.752 1.00 0.00 C ATOM 942 C VAL A 79 -2.720 -10.502 1.537 1.00 0.00 C ATOM 943 O VAL A 79 -1.678 -10.865 0.992 1.00 0.00 O ATOM 944 CB VAL A 79 -3.816 -10.272 -0.692 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.311 -11.709 -0.720 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.683 -9.383 -1.572 1.00 0.00 C ATOM 0 H VAL A 79 -3.397 -7.878 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.756 -9.897 1.217 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.801 -10.255 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.327 -12.068 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.644 -12.335 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.317 -11.755 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.694 -9.777 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.700 -9.363 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.277 -8.371 -1.579 1.00 0.00 H new ATOM 956 N GLY A 80 -2.993 -10.756 2.815 1.00 0.00 N ATOM 957 CA GLY A 80 -2.045 -11.489 3.637 1.00 0.00 C ATOM 958 C GLY A 80 -1.831 -10.873 5.009 1.00 0.00 C ATOM 959 O GLY A 80 -1.398 -11.557 5.937 1.00 0.00 O ATOM 0 H GLY A 80 -3.847 -10.470 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.397 -12.513 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.088 -11.540 3.117 1.00 0.00 H new ATOM 963 N LEU A 81 -2.126 -9.583 5.144 1.00 0.00 N ATOM 964 CA LEU A 81 -1.947 -8.898 6.423 1.00 0.00 C ATOM 965 C LEU A 81 -3.276 -8.719 7.152 1.00 0.00 C ATOM 966 O LEU A 81 -4.347 -8.800 6.549 1.00 0.00 O ATOM 967 CB LEU A 81 -1.281 -7.534 6.218 1.00 0.00 C ATOM 968 CG LEU A 81 -1.669 -6.803 4.933 1.00 0.00 C ATOM 969 CD1 LEU A 81 -1.679 -5.299 5.158 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.717 -7.174 3.806 1.00 0.00 C ATOM 0 H LEU A 81 -2.486 -8.995 4.393 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.300 -9.523 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.527 -6.897 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.200 -7.671 6.226 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.675 -7.110 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.957 -4.795 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.401 -5.052 5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.686 -4.971 5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.006 -6.646 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.300 -6.893 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.762 -8.249 3.631 1.00 0.00 H new ATOM 982 N PRO A 82 -3.217 -8.472 8.473 1.00 0.00 N ATOM 983 CA PRO A 82 -4.411 -8.279 9.305 1.00 0.00 C ATOM 984 C PRO A 82 -5.139 -6.976 8.991 1.00 0.00 C ATOM 985 O PRO A 82 -4.864 -6.327 7.983 1.00 0.00 O ATOM 986 CB PRO A 82 -3.845 -8.240 10.727 1.00 0.00 C ATOM 987 CG PRO A 82 -2.447 -7.761 10.552 1.00 0.00 C ATOM 988 CD PRO A 82 -1.975 -8.363 9.263 1.00 0.00 C ATOM 0 HA PRO A 82 -5.150 -9.063 9.141 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.419 -7.568 11.365 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.873 -9.225 11.194 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.407 -6.672 10.514 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.818 -8.074 11.385 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.237 -7.731 8.769 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.509 -9.336 9.419 1.00 0.00 H new ATOM 996 N LEU A 83 -6.071 -6.602 9.864 1.00 0.00 N ATOM 997 CA LEU A 83 -6.847 -5.379 9.685 1.00 0.00 C ATOM 998 C LEU A 83 -6.041 -4.150 10.084 1.00 0.00 C ATOM 999 O LEU A 83 -5.967 -3.174 9.338 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.127 -5.436 10.523 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.369 -4.779 9.907 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -10.381 -4.453 10.996 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -9.015 -3.516 9.125 1.00 0.00 C ATOM 0 H LEU A 83 -6.307 -7.130 10.704 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.102 -5.302 8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.358 -6.482 10.726 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.929 -4.961 11.484 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.806 -5.490 9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.259 -3.987 10.549 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.677 -5.371 11.505 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.933 -3.768 11.715 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.922 -3.082 8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.543 -2.795 9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.327 -3.768 8.318 1.00 0.00 H new ATOM 1015 N SER A 84 -5.450 -4.197 11.274 1.00 0.00 N ATOM 1016 CA SER A 84 -4.662 -3.078 11.778 1.00 0.00 C ATOM 1017 C SER A 84 -3.611 -2.656 10.760 1.00 0.00 C ATOM 1018 O SER A 84 -3.349 -1.465 10.580 1.00 0.00 O ATOM 1019 CB SER A 84 -3.989 -3.452 13.099 1.00 0.00 C ATOM 1020 OG SER A 84 -4.828 -4.284 13.882 1.00 0.00 O ATOM 0 H SER A 84 -5.502 -4.996 11.906 1.00 0.00 H new ATOM 0 HA SER A 84 -5.336 -2.239 11.949 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.048 -3.965 12.899 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.747 -2.547 13.656 1.00 0.00 H new ATOM 0 HG SER A 84 -4.374 -4.510 14.720 1.00 0.00 H new ATOM 1026 N THR A 85 -3.023 -3.634 10.085 1.00 0.00 N ATOM 1027 CA THR A 85 -2.014 -3.349 9.079 1.00 0.00 C ATOM 1028 C THR A 85 -2.622 -2.570 7.918 1.00 0.00 C ATOM 1029 O THR A 85 -2.084 -1.543 7.508 1.00 0.00 O ATOM 1030 CB THR A 85 -1.378 -4.640 8.571 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.882 -5.413 9.649 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.232 -4.404 7.612 1.00 0.00 C ATOM 0 H THR A 85 -3.227 -4.625 10.216 1.00 0.00 H new ATOM 0 HA THR A 85 -1.237 -2.739 9.541 1.00 0.00 H new ATOM 0 HB THR A 85 -2.173 -5.165 8.042 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.110 -5.937 9.348 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.175 -5.362 7.289 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.592 -3.851 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.547 -3.828 8.111 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.753 -3.054 7.399 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.429 -2.387 6.289 1.00 0.00 C ATOM 1042 C CYS A 86 -4.813 -0.962 6.668 1.00 0.00 C ATOM 1043 O CYS A 86 -4.494 -0.010 5.951 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.678 -3.169 5.878 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.368 -4.909 5.495 1.00 0.00 S ATOM 0 H CYS A 86 -4.216 -3.901 7.729 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.739 -2.350 5.446 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.411 -3.110 6.682 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.123 -2.690 5.006 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.515 -5.623 6.571 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.490 -0.818 7.805 1.00 0.00 N ATOM 1052 CA GLN A 87 -5.905 0.496 8.282 1.00 0.00 C ATOM 1053 C GLN A 87 -4.724 1.459 8.257 1.00 0.00 C ATOM 1054 O GLN A 87 -4.864 2.625 7.888 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.473 0.396 9.700 1.00 0.00 C ATOM 1056 CG GLN A 87 -7.777 -0.381 9.775 1.00 0.00 C ATOM 1057 CD GLN A 87 -8.225 -0.638 11.201 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -8.766 0.247 11.863 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -8.002 -1.857 11.679 1.00 0.00 N ATOM 0 H GLN A 87 -5.761 -1.593 8.410 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.685 0.875 7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.736 -0.082 10.346 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.635 1.401 10.090 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.555 0.172 9.248 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.658 -1.334 9.259 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.550 -2.560 11.094 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.283 -2.091 12.631 1.00 0.00 H new ATOM 1068 N SER A 88 -3.559 0.949 8.640 1.00 0.00 N ATOM 1069 CA SER A 88 -2.344 1.745 8.654 1.00 0.00 C ATOM 1070 C SER A 88 -1.958 2.164 7.237 1.00 0.00 C ATOM 1071 O SER A 88 -1.480 3.277 7.014 1.00 0.00 O ATOM 1072 CB SER A 88 -1.200 0.956 9.294 1.00 0.00 C ATOM 1073 OG SER A 88 -1.189 1.124 10.701 1.00 0.00 O ATOM 0 H SER A 88 -3.433 -0.016 8.945 1.00 0.00 H new ATOM 0 HA SER A 88 -2.530 2.642 9.244 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.303 -0.102 9.052 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.248 1.287 8.878 1.00 0.00 H new ATOM 0 HG SER A 88 -0.450 0.609 11.086 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.162 1.258 6.286 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.831 1.518 4.891 1.00 0.00 C ATOM 1081 C ILE A 89 -2.573 2.732 4.343 1.00 0.00 C ATOM 1082 O ILE A 89 -1.968 3.616 3.736 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.175 0.303 4.011 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.642 -0.982 4.642 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.616 0.484 2.612 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.157 -0.945 4.937 1.00 0.00 C ATOM 0 H ILE A 89 -2.557 0.333 6.458 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.759 1.714 4.861 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.260 0.225 3.939 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.183 -1.173 5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.850 -1.818 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.869 -0.385 2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.045 1.379 2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.532 0.587 2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.149 -1.891 5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.394 -0.786 4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.056 -0.131 5.630 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.886 2.765 4.546 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.700 3.857 4.056 1.00 0.00 C ATOM 1100 C ILE A 90 -4.488 5.136 4.862 1.00 0.00 C ATOM 1101 O ILE A 90 -4.256 6.203 4.291 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.187 3.479 4.079 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.400 2.121 3.402 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -6.996 4.553 3.389 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.790 1.558 3.595 1.00 0.00 C ATOM 0 H ILE A 90 -4.404 2.044 5.048 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.388 4.047 3.029 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.521 3.399 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.203 2.222 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.672 1.411 3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.051 4.282 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.857 5.502 3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.664 4.651 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.866 0.596 3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.984 1.424 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.523 2.248 3.177 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.565 5.036 6.184 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.374 6.203 7.037 1.00 0.00 C ATOM 1119 C LYS A 91 -3.014 6.841 6.782 1.00 0.00 C ATOM 1120 O LYS A 91 -2.808 8.025 7.049 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.515 5.830 8.512 1.00 0.00 C ATOM 1122 CG LYS A 91 -3.536 4.764 8.958 1.00 0.00 C ATOM 1123 CD LYS A 91 -2.349 5.364 9.696 1.00 0.00 C ATOM 1124 CE LYS A 91 -2.271 4.865 11.130 1.00 0.00 C ATOM 1125 NZ LYS A 91 -0.879 4.910 11.658 1.00 0.00 N ATOM 0 H LYS A 91 -4.756 4.168 6.685 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.150 6.928 6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.371 6.723 9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.531 5.480 8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.045 4.051 9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.182 4.209 8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.428 5.111 9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.429 6.451 9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.919 5.473 11.762 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.645 3.843 11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.868 4.562 12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.265 4.310 11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.530 5.890 11.635 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.092 6.048 6.254 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.762 6.545 5.955 1.00 0.00 C ATOM 1141 C GLY A 92 -0.757 7.487 4.768 1.00 0.00 C ATOM 1142 O GLY A 92 -0.048 8.494 4.767 1.00 0.00 O ATOM 0 H GLY A 92 -2.241 5.065 6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.364 7.062 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.099 5.704 5.752 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.553 7.161 3.751 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.641 7.990 2.553 1.00 0.00 C ATOM 1148 C LEU A 93 -2.813 8.963 2.653 1.00 0.00 C ATOM 1149 O LEU A 93 -3.590 9.116 1.711 1.00 0.00 O ATOM 1150 CB LEU A 93 -1.783 7.117 1.306 1.00 0.00 C ATOM 1151 CG LEU A 93 -2.936 6.117 1.345 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -3.975 6.452 0.288 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.420 4.698 1.159 1.00 0.00 C ATOM 0 H LEU A 93 -2.145 6.330 3.734 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.720 8.567 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.914 7.766 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.852 6.570 1.156 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.412 6.183 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.787 5.727 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.370 7.451 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.514 6.418 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.256 4.000 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.915 4.618 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.718 4.459 1.958 1.00 0.00 H new ATOM 1165 N LYS A 94 -2.931 9.616 3.805 1.00 0.00 N ATOM 1166 CA LYS A 94 -4.003 10.577 4.038 1.00 0.00 C ATOM 1167 C LYS A 94 -3.717 11.898 3.331 1.00 0.00 C ATOM 1168 O LYS A 94 -4.631 12.557 2.833 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.180 10.815 5.540 1.00 0.00 C ATOM 1170 CG LYS A 94 -5.201 11.890 5.874 1.00 0.00 C ATOM 1171 CD LYS A 94 -5.580 11.859 7.345 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.686 12.769 8.172 1.00 0.00 C ATOM 1173 NZ LYS A 94 -4.737 14.180 7.699 1.00 0.00 N ATOM 0 H LYS A 94 -2.295 9.496 4.594 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.925 10.163 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.482 9.881 6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.218 11.094 5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.795 12.870 5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.093 11.748 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.619 12.166 7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.506 10.838 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.992 12.726 9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.659 12.408 8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.344 14.806 8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.179 14.274 6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.724 14.447 7.509 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.446 12.281 3.292 1.00 0.00 N ATOM 1188 CA ASN A 95 -2.042 13.527 2.649 1.00 0.00 C ATOM 1189 C ASN A 95 -1.748 13.311 1.167 1.00 0.00 C ATOM 1190 O ASN A 95 -0.689 13.694 0.671 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.810 14.106 3.348 1.00 0.00 C ATOM 1192 CG ASN A 95 -1.049 14.358 4.824 1.00 0.00 C ATOM 1193 OD1 ASN A 95 -0.255 13.950 5.670 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -2.149 15.033 5.139 1.00 0.00 N ATOM 0 H ASN A 95 -1.677 11.747 3.698 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.868 14.234 2.733 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.028 13.419 3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.526 15.040 2.864 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.363 15.232 6.116 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.780 15.352 4.404 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.692 12.693 0.464 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.532 12.426 -0.959 1.00 0.00 C ATOM 1203 C GLN A 96 -3.484 13.264 -1.795 1.00 0.00 C ATOM 1204 O GLN A 96 -4.386 13.920 -1.275 1.00 0.00 O ATOM 1205 CB GLN A 96 -2.802 10.954 -1.261 1.00 0.00 C ATOM 1206 CG GLN A 96 -1.624 10.041 -1.005 1.00 0.00 C ATOM 1207 CD GLN A 96 -0.344 10.527 -1.658 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -0.375 11.313 -2.605 1.00 0.00 O ATOM 1209 NE2 GLN A 96 0.789 10.056 -1.153 1.00 0.00 N ATOM 0 H GLN A 96 -3.575 12.368 0.858 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.505 12.684 -1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.645 10.619 -0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.101 10.858 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.466 9.953 0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.858 9.043 -1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.766 9.406 -0.367 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.683 10.344 -1.551 1.00 0.00 H new ATOM 1218 N SER A 97 -3.291 13.195 -3.103 1.00 0.00 N ATOM 1219 CA SER A 97 -4.138 13.902 -4.048 1.00 0.00 C ATOM 1220 C SER A 97 -4.922 12.895 -4.889 1.00 0.00 C ATOM 1221 O SER A 97 -5.803 13.265 -5.665 1.00 0.00 O ATOM 1222 CB SER A 97 -3.298 14.805 -4.952 1.00 0.00 C ATOM 1223 OG SER A 97 -2.675 14.060 -5.982 1.00 0.00 O ATOM 0 H SER A 97 -2.546 12.650 -3.537 1.00 0.00 H new ATOM 0 HA SER A 97 -4.837 14.528 -3.494 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.931 15.577 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.539 15.314 -4.358 1.00 0.00 H new ATOM 0 HG SER A 97 -2.146 14.661 -6.546 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.591 11.611 -4.720 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.253 10.541 -5.454 1.00 0.00 C ATOM 1231 C ARG A 98 -5.011 9.204 -4.766 1.00 0.00 C ATOM 1232 O ARG A 98 -3.986 9.014 -4.111 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.753 10.491 -6.893 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.857 10.204 -7.890 1.00 0.00 C ATOM 1235 CD ARG A 98 -5.480 10.650 -9.284 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.280 12.095 -9.358 1.00 0.00 N ATOM 1237 CZ ARG A 98 -5.039 12.756 -10.487 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -4.962 12.105 -11.642 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -4.874 14.071 -10.461 1.00 0.00 N ATOM 0 H ARG A 98 -3.865 11.292 -4.078 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.324 10.741 -5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.283 11.442 -7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.984 9.723 -6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.074 9.136 -7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.770 10.713 -7.579 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.567 10.141 -9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.262 10.355 -9.983 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.328 12.630 -8.491 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.088 11.093 -11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.777 12.617 -12.505 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.932 14.575 -9.576 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.689 14.579 -11.326 1.00 0.00 H new ATOM 1253 N VAL A 99 -5.959 8.281 -4.899 1.00 0.00 N ATOM 1254 CA VAL A 99 -5.828 6.975 -4.266 1.00 0.00 C ATOM 1255 C VAL A 99 -6.160 5.835 -5.224 1.00 0.00 C ATOM 1256 O VAL A 99 -7.309 5.665 -5.632 1.00 0.00 O ATOM 1257 CB VAL A 99 -6.740 6.861 -3.028 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.321 5.680 -2.167 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -6.719 8.152 -2.221 1.00 0.00 C ATOM 0 H VAL A 99 -6.818 8.412 -5.434 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.784 6.888 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.762 6.693 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.975 5.614 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.396 4.761 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.291 5.817 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.369 8.049 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.701 8.358 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.071 8.975 -2.842 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.148 5.038 -5.554 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.330 3.891 -6.438 1.00 0.00 C ATOM 1271 C LYS A 100 -5.612 2.648 -5.606 1.00 0.00 C ATOM 1272 O LYS A 100 -4.901 2.365 -4.642 1.00 0.00 O ATOM 1273 CB LYS A 100 -4.081 3.659 -7.293 1.00 0.00 C ATOM 1274 CG LYS A 100 -3.622 4.893 -8.056 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.809 4.729 -9.559 1.00 0.00 C ATOM 1276 CE LYS A 100 -5.213 4.258 -9.912 1.00 0.00 C ATOM 1277 NZ LYS A 100 -5.204 2.912 -10.549 1.00 0.00 N ATOM 0 H LYS A 100 -4.192 5.166 -5.222 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.172 4.094 -7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.270 3.318 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.282 2.858 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.182 5.762 -7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.571 5.085 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.610 5.679 -10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.080 4.013 -9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.823 4.228 -9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.678 4.976 -10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.138 2.469 -10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.985 3.008 -11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.482 2.317 -10.094 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.650 1.911 -5.971 1.00 0.00 N ATOM 1292 CA LEU A 101 -7.008 0.706 -5.238 1.00 0.00 C ATOM 1293 C LEU A 101 -7.436 -0.403 -6.186 1.00 0.00 C ATOM 1294 O LEU A 101 -7.906 -0.145 -7.290 1.00 0.00 O ATOM 1295 CB LEU A 101 -8.142 0.986 -4.243 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.249 2.429 -3.739 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.707 2.847 -3.621 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.542 2.574 -2.401 1.00 0.00 C ATOM 0 H LEU A 101 -7.255 2.124 -6.764 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.122 0.384 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.087 0.715 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -8.014 0.329 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.763 3.085 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.763 3.875 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.186 2.778 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.219 2.189 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.626 3.604 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.003 1.908 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.490 2.314 -2.516 1.00 0.00 H new ATOM 1310 N ASN A 102 -7.288 -1.639 -5.734 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.685 -2.797 -6.523 1.00 0.00 C ATOM 1312 C ASN A 102 -8.603 -3.671 -5.684 1.00 0.00 C ATOM 1313 O ASN A 102 -8.144 -4.532 -4.935 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.460 -3.587 -6.986 1.00 0.00 C ATOM 1315 CG ASN A 102 -6.167 -3.366 -8.457 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -7.208 -3.427 -9.281 1.00 0.00 O flip ATOM 1317 ND2 ASN A 102 -5.021 -3.142 -8.848 1.00 0.00 N flip ATOM 0 H ASN A 102 -6.894 -1.867 -4.821 1.00 0.00 H new ATOM 0 HA ASN A 102 -8.215 -2.463 -7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.593 -3.292 -6.395 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.623 -4.649 -6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.252 -3.104 -8.179 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.841 -2.994 -9.841 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.901 -3.413 -5.782 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.877 -4.153 -4.994 1.00 0.00 C ATOM 1326 C ILE A 103 -11.786 -5.020 -5.858 1.00 0.00 C ATOM 1327 O ILE A 103 -11.767 -4.937 -7.084 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.726 -3.191 -4.121 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.993 -2.728 -4.846 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.901 -1.982 -3.709 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.980 -2.062 -3.922 1.00 0.00 C ATOM 0 H ILE A 103 -10.300 -2.702 -6.395 1.00 0.00 H new ATOM 0 HA ILE A 103 -10.312 -4.821 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.030 -3.745 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.719 -2.034 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.468 -3.586 -5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.511 -1.317 -3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.035 -2.311 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.565 -1.450 -4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.859 -1.754 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.279 -2.763 -3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.518 -1.187 -3.466 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.592 -5.845 -5.195 1.00 0.00 N ATOM 1344 CA VAL A 104 -13.525 -6.728 -5.881 1.00 0.00 C ATOM 1345 C VAL A 104 -14.962 -6.293 -5.620 1.00 0.00 C ATOM 1346 O VAL A 104 -15.407 -6.251 -4.471 1.00 0.00 O ATOM 1347 CB VAL A 104 -13.357 -8.191 -5.433 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -14.217 -9.113 -6.282 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -11.896 -8.607 -5.495 1.00 0.00 C ATOM 0 H VAL A 104 -12.616 -5.919 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.305 -6.661 -6.946 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.689 -8.273 -4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.084 -10.143 -5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.265 -8.831 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.920 -9.028 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.799 -9.644 -5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.533 -8.508 -6.518 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.307 -7.967 -4.837 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.679 -5.963 -6.689 1.00 0.00 N ATOM 1360 CA ARG A 105 -17.062 -5.527 -6.579 1.00 0.00 C ATOM 1361 C ARG A 105 -18.018 -6.705 -6.741 1.00 0.00 C ATOM 1362 O ARG A 105 -17.942 -7.450 -7.718 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.356 -4.461 -7.635 1.00 0.00 C ATOM 1364 CG ARG A 105 -18.795 -3.975 -7.628 1.00 0.00 C ATOM 1365 CD ARG A 105 -18.918 -2.594 -7.002 1.00 0.00 C ATOM 1366 NE ARG A 105 -20.041 -2.513 -6.072 1.00 0.00 N ATOM 1367 CZ ARG A 105 -21.295 -2.261 -6.441 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -21.595 -2.070 -7.720 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -22.254 -2.203 -5.527 1.00 0.00 N ATOM 0 H ARG A 105 -15.321 -5.990 -7.644 1.00 0.00 H new ATOM 0 HA ARG A 105 -17.212 -5.101 -5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.694 -3.610 -7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.123 -4.864 -8.620 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -19.175 -3.947 -8.649 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -19.415 -4.681 -7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -17.994 -2.350 -6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -19.044 -1.849 -7.788 1.00 0.00 H new ATOM 0 HE ARG A 105 -19.853 -2.658 -5.080 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -20.862 -2.116 -8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -22.558 -1.877 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -22.030 -2.351 -4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -23.215 -2.010 -5.808 1.00 0.00 H new ATOM 1384 N PRO B -3 -16.989 2.440 13.955 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.863 1.673 13.416 1.00 0.00 C ATOM 1386 C PRO B -3 -14.743 2.571 12.898 1.00 0.00 C ATOM 1387 O PRO B -3 -14.965 3.744 12.599 1.00 0.00 O ATOM 1388 CB PRO B -3 -16.494 0.886 12.267 1.00 0.00 C ATOM 1389 CG PRO B -3 -17.635 1.731 11.817 1.00 0.00 C ATOM 1390 CD PRO B -3 -18.153 2.427 13.048 1.00 0.00 C ATOM 0 H2 PRO B -3 -16.696 3.404 14.117 1.00 0.00 H new ATOM 0 H3 PRO B -3 -17.260 2.054 14.860 1.00 0.00 H new ATOM 0 HA PRO B -3 -15.394 1.047 14.175 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -15.780 0.721 11.460 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -16.834 -0.096 12.598 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -17.312 2.454 11.068 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -18.413 1.122 11.358 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -18.497 3.436 12.823 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.996 1.893 13.486 1.00 0.00 H new ATOM 1398 N VAL B -2 -13.540 2.013 12.796 1.00 0.00 N ATOM 1399 CA VAL B -2 -12.384 2.764 12.316 1.00 0.00 C ATOM 1400 C VAL B -2 -12.619 3.290 10.904 1.00 0.00 C ATOM 1401 O VAL B -2 -13.133 2.576 10.044 1.00 0.00 O ATOM 1402 CB VAL B -2 -11.110 1.899 12.325 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -9.883 2.752 12.044 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -10.969 1.169 13.652 1.00 0.00 C ATOM 0 H VAL B -2 -13.340 1.043 13.039 1.00 0.00 H new ATOM 0 HA VAL B -2 -12.247 3.605 12.996 1.00 0.00 H new ATOM 0 HB VAL B -2 -11.194 1.153 11.534 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -8.993 2.123 12.054 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -9.983 3.223 11.066 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -9.792 3.522 12.810 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -10.063 0.563 13.639 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -10.908 1.896 14.462 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -11.834 0.525 13.807 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.242 4.543 10.670 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.417 5.162 9.360 1.00 0.00 C ATOM 1416 C TYR B -1 -11.079 5.607 8.774 1.00 0.00 C ATOM 1417 O TYR B -1 -10.231 6.152 9.482 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.362 6.362 9.466 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.740 6.103 8.898 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -14.914 5.800 7.553 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.867 6.164 9.707 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.172 5.565 7.032 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -17.129 5.931 9.193 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.275 5.632 7.857 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.530 5.399 7.341 1.00 0.00 O ATOM 0 H TYR B -1 -11.814 5.149 11.369 1.00 0.00 H new ATOM 0 HA TYR B -1 -12.851 4.417 8.693 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.458 6.646 10.514 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -12.918 7.210 8.945 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.052 5.747 6.904 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.756 6.397 10.756 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -16.291 5.330 5.985 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -17.995 5.983 9.836 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.198 5.484 8.053 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.903 5.380 7.476 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.675 5.766 6.790 1.00 0.00 C ATOM 1437 C ILE B 0 -9.973 6.716 5.641 1.00 0.00 C ATOM 1438 O ILE B 0 -11.147 7.122 5.501 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.910 4.538 6.252 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.781 3.734 5.282 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.448 3.659 7.403 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -10.002 4.411 3.944 1.00 0.00 C ATOM 1443 OXT ILE B 0 -9.033 7.043 4.887 1.00 0.00 O ATOM 0 H ILE B 0 -11.596 4.930 6.878 1.00 0.00 H new ATOM 0 HA ILE B 0 -9.047 6.270 7.524 1.00 0.00 H new ATOM 0 HB ILE B 0 -8.034 4.892 5.708 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.317 2.762 5.113 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.749 3.548 5.748 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -7.910 2.797 7.009 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.789 4.231 8.056 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.314 3.318 7.971 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.628 3.778 3.315 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.496 5.370 4.099 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.041 4.572 3.455 1.00 0.00 H new