USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 24 MET CE :methyl -126:sc= -0.343 (180deg=-2.24!) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 26 MET CE :methyl 170:sc= -0.971 (180deg=-1.02) USER MOD Set 2.2: A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 LEU N :NH3+ -110:sc= 0.222 (180deg=0) USER MOD Set 3.2: A 19 ASN : amide:sc= 0.1 K(o=0.32,f=-2.8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -5.56! C(o=-5.6!,f=-13!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -152:sc= -0.205 (180deg=-0.901) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -136:sc= 1.2 (180deg=-0.769) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.62! C(o=-3.6!,f=-11!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.599 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.907 K(o=-0.91,f=-5.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.05! USER MOD Single : A 60 ASN : amide:sc= -2.8! C(o=-2.8!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.606 12.191 -2.342 1.00 0.00 N ATOM 2 CA LEU A 1 5.589 11.233 -1.250 1.00 0.00 C ATOM 3 C LEU A 1 6.494 10.050 -1.601 1.00 0.00 C ATOM 4 O LEU A 1 6.704 9.751 -2.776 1.00 0.00 O ATOM 5 CB LEU A 1 4.152 10.828 -0.914 1.00 0.00 C ATOM 6 CG LEU A 1 3.635 11.267 0.457 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.425 12.192 0.317 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.331 10.055 1.341 1.00 0.00 C ATOM 0 H1 LEU A 1 6.113 13.048 -2.044 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.087 11.772 -3.164 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.630 12.439 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 1 5.990 11.684 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.492 11.239 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.077 9.742 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 1 4.421 11.838 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.078 12.489 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.709 13.079 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.625 11.668 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.965 10.394 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.571 9.437 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.240 9.470 1.481 1.00 0.00 H new ATOM 20 N LYS A 2 7.007 9.409 -0.561 1.00 0.00 N ATOM 21 CA LYS A 2 7.884 8.266 -0.744 1.00 0.00 C ATOM 22 C LYS A 2 7.166 6.997 -0.279 1.00 0.00 C ATOM 23 O LYS A 2 6.882 6.839 0.907 1.00 0.00 O ATOM 24 CB LYS A 2 9.226 8.503 -0.047 1.00 0.00 C ATOM 25 CG LYS A 2 9.948 9.712 -0.646 1.00 0.00 C ATOM 26 CD LYS A 2 11.346 9.330 -1.133 1.00 0.00 C ATOM 27 CE LYS A 2 12.339 10.471 -0.901 1.00 0.00 C ATOM 28 NZ LYS A 2 13.724 10.011 -1.148 1.00 0.00 N ATOM 0 H LYS A 2 6.832 9.660 0.412 1.00 0.00 H new ATOM 0 HA LYS A 2 8.118 8.132 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.063 8.663 1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.852 7.616 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.367 10.112 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.023 10.502 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.685 8.436 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.311 9.084 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.104 11.306 -1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.248 10.838 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.385 10.797 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.951 9.229 -0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.811 9.683 -2.131 1.00 0.00 H new ATOM 42 N CYS A 3 6.893 6.125 -1.239 1.00 0.00 N ATOM 43 CA CYS A 3 6.215 4.874 -0.942 1.00 0.00 C ATOM 44 C CYS A 3 7.204 3.728 -1.156 1.00 0.00 C ATOM 45 O CYS A 3 8.076 3.808 -2.020 1.00 0.00 O ATOM 46 CB CYS A 3 4.951 4.703 -1.789 1.00 0.00 C ATOM 47 SG CYS A 3 3.938 6.217 -1.970 1.00 0.00 S ATOM 0 H CYS A 3 7.129 6.260 -2.222 1.00 0.00 H new ATOM 0 HA CYS A 3 5.882 4.875 0.096 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.240 4.355 -2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.335 3.922 -1.344 1.00 0.00 H new ATOM 52 N ASN A 4 7.036 2.687 -0.354 1.00 0.00 N ATOM 53 CA ASN A 4 7.904 1.525 -0.443 1.00 0.00 C ATOM 54 C ASN A 4 7.206 0.434 -1.259 1.00 0.00 C ATOM 55 O ASN A 4 6.049 0.589 -1.648 1.00 0.00 O ATOM 56 CB ASN A 4 8.209 0.956 0.943 1.00 0.00 C ATOM 57 CG ASN A 4 8.435 2.078 1.959 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.493 3.251 1.625 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.561 1.655 3.213 1.00 0.00 N ATOM 0 H ASN A 4 6.311 2.624 0.361 1.00 0.00 H new ATOM 0 HA ASN A 4 8.835 1.836 -0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.383 0.325 1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.094 0.322 0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.716 2.327 3.965 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.502 0.659 3.423 1.00 0.00 H new ATOM 66 N LYS A 5 7.939 -0.644 -1.493 1.00 0.00 N ATOM 67 CA LYS A 5 7.404 -1.760 -2.255 1.00 0.00 C ATOM 68 C LYS A 5 6.793 -2.782 -1.294 1.00 0.00 C ATOM 69 O LYS A 5 6.508 -2.462 -0.141 1.00 0.00 O ATOM 70 CB LYS A 5 8.478 -2.346 -3.174 1.00 0.00 C ATOM 71 CG LYS A 5 9.094 -1.261 -4.059 1.00 0.00 C ATOM 72 CD LYS A 5 10.593 -1.120 -3.793 1.00 0.00 C ATOM 73 CE LYS A 5 11.110 0.240 -4.268 1.00 0.00 C ATOM 74 NZ LYS A 5 11.895 0.089 -5.513 1.00 0.00 N ATOM 0 H LYS A 5 8.898 -0.769 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 5 6.604 -1.422 -2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.257 -2.817 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.041 -3.125 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.929 -1.506 -5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.597 -0.309 -3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.789 -1.235 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.133 -1.917 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.271 0.915 -4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.729 0.691 -3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.239 1.021 -5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.706 -0.538 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.293 -0.322 -6.255 1.00 0.00 H new ATOM 88 N LEU A 6 6.608 -3.991 -1.805 1.00 0.00 N ATOM 89 CA LEU A 6 6.037 -5.062 -1.006 1.00 0.00 C ATOM 90 C LEU A 6 6.783 -5.153 0.327 1.00 0.00 C ATOM 91 O LEU A 6 6.195 -5.503 1.349 1.00 0.00 O ATOM 92 CB LEU A 6 6.026 -6.372 -1.796 1.00 0.00 C ATOM 93 CG LEU A 6 5.718 -7.637 -0.993 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.554 -8.411 -1.613 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.967 -8.507 -0.839 1.00 0.00 C ATOM 0 H LEU A 6 6.844 -4.252 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 6 4.994 -4.848 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.290 -6.285 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.999 -6.495 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 6 5.408 -7.338 0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.356 -9.306 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.664 -7.781 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.810 -8.699 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.720 -9.400 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.331 -8.799 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.741 -7.943 -0.319 1.00 0.00 H new ATOM 107 N VAL A 7 8.067 -4.832 0.272 1.00 0.00 N ATOM 108 CA VAL A 7 8.901 -4.873 1.462 1.00 0.00 C ATOM 109 C VAL A 7 9.222 -3.444 1.903 1.00 0.00 C ATOM 110 O VAL A 7 9.619 -2.613 1.088 1.00 0.00 O ATOM 111 CB VAL A 7 10.151 -5.713 1.196 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.199 -5.499 2.291 1.00 0.00 C ATOM 113 CG2 VAL A 7 9.797 -7.195 1.058 1.00 0.00 C ATOM 0 H VAL A 7 8.551 -4.542 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 7 8.372 -5.355 2.284 1.00 0.00 H new ATOM 0 HB VAL A 7 10.582 -5.382 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.078 -6.108 2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.485 -4.448 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.782 -5.789 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.704 -7.770 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.331 -7.545 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.104 -7.328 0.227 1.00 0.00 H new ATOM 123 N PRO A 8 9.041 -3.202 3.194 1.00 0.00 N ATOM 124 CA PRO A 8 9.659 -2.005 3.848 1.00 0.00 C ATOM 125 C PRO A 8 11.219 -1.850 3.892 1.00 0.00 C ATOM 126 O PRO A 8 11.810 -1.796 4.970 1.00 0.00 O ATOM 127 CB PRO A 8 9.025 -2.036 5.257 1.00 0.00 C ATOM 128 CG PRO A 8 7.818 -2.969 5.153 1.00 0.00 C ATOM 129 CD PRO A 8 8.235 -4.013 4.119 1.00 0.00 C ATOM 0 HA PRO A 8 9.450 -1.128 3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.737 -2.400 5.998 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.721 -1.037 5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.588 -3.430 6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.925 -2.430 4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.812 -4.824 4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.376 -4.467 3.625 1.00 0.00 H new ATOM 137 N ILE A 9 11.809 -1.786 2.708 1.00 0.00 N ATOM 138 CA ILE A 9 13.250 -1.642 2.598 1.00 0.00 C ATOM 139 C ILE A 9 13.577 -0.679 1.454 1.00 0.00 C ATOM 140 O ILE A 9 14.377 0.240 1.622 1.00 0.00 O ATOM 141 CB ILE A 9 13.916 -3.013 2.456 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.316 -3.010 3.074 1.00 0.00 C ATOM 143 CG2 ILE A 9 13.937 -3.463 0.994 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.366 -2.567 2.054 1.00 0.00 C ATOM 0 H ILE A 9 11.315 -1.831 1.817 1.00 0.00 H new ATOM 0 HA ILE A 9 13.659 -1.206 3.509 1.00 0.00 H new ATOM 0 HB ILE A 9 13.321 -3.740 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 9 15.336 -2.342 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 9 15.558 -4.008 3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.415 -4.440 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.916 -3.530 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.495 -2.740 0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.351 -2.574 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 9 16.361 -3.251 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.135 -1.559 1.709 1.00 0.00 H new ATOM 156 N ALA A 10 12.940 -0.923 0.318 1.00 0.00 N ATOM 157 CA ALA A 10 13.153 -0.089 -0.852 1.00 0.00 C ATOM 158 C ALA A 10 11.897 0.746 -1.113 1.00 0.00 C ATOM 159 O ALA A 10 10.784 0.220 -1.099 1.00 0.00 O ATOM 160 CB ALA A 10 13.527 -0.969 -2.046 1.00 0.00 C ATOM 0 H ALA A 10 12.277 -1.686 0.183 1.00 0.00 H new ATOM 0 HA ALA A 10 13.980 0.602 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.687 -0.343 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.441 -1.518 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.720 -1.674 -2.245 1.00 0.00 H new ATOM 166 N TYR A 11 12.117 2.031 -1.346 1.00 0.00 N ATOM 167 CA TYR A 11 11.017 2.942 -1.610 1.00 0.00 C ATOM 168 C TYR A 11 11.483 4.138 -2.443 1.00 0.00 C ATOM 169 O TYR A 11 12.628 4.572 -2.326 1.00 0.00 O ATOM 170 CB TYR A 11 10.545 3.442 -0.242 1.00 0.00 C ATOM 171 CG TYR A 11 11.642 4.109 0.588 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.479 3.341 1.371 1.00 0.00 C ATOM 173 CD2 TYR A 11 11.795 5.481 0.553 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.512 3.971 2.154 1.00 0.00 C ATOM 175 CE2 TYR A 11 12.827 6.111 1.336 1.00 0.00 C ATOM 176 CZ TYR A 11 13.634 5.324 2.097 1.00 0.00 C ATOM 177 OH TYR A 11 14.610 5.918 2.836 1.00 0.00 O ATOM 0 H TYR A 11 13.041 2.463 -1.357 1.00 0.00 H new ATOM 0 HA TYR A 11 10.227 2.438 -2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.731 4.152 -0.387 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.138 2.601 0.320 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.360 2.268 1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.141 6.082 -0.061 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.174 3.382 2.772 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.957 7.183 1.319 1.00 0.00 H new ATOM 0 HH TYR A 11 14.581 6.888 2.697 1.00 0.00 H new ATOM 187 N LYS A 12 10.572 4.637 -3.266 1.00 0.00 N ATOM 188 CA LYS A 12 10.875 5.774 -4.118 1.00 0.00 C ATOM 189 C LYS A 12 9.748 6.803 -4.009 1.00 0.00 C ATOM 190 O LYS A 12 8.843 6.653 -3.189 1.00 0.00 O ATOM 191 CB LYS A 12 11.150 5.312 -5.550 1.00 0.00 C ATOM 192 CG LYS A 12 12.484 4.567 -5.639 1.00 0.00 C ATOM 193 CD LYS A 12 13.630 5.532 -5.953 1.00 0.00 C ATOM 194 CE LYS A 12 13.540 6.039 -7.394 1.00 0.00 C ATOM 195 NZ LYS A 12 14.101 7.405 -7.496 1.00 0.00 N ATOM 0 H LYS A 12 9.623 4.274 -3.361 1.00 0.00 H new ATOM 0 HA LYS A 12 11.789 6.266 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.343 4.662 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.165 6.174 -6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.682 4.055 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.426 3.801 -6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.599 6.376 -5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.585 5.030 -5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.082 5.366 -8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.500 6.040 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.033 7.736 -8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.566 8.047 -6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.099 7.393 -7.203 1.00 0.00 H new ATOM 209 N THR A 13 9.840 7.824 -4.848 1.00 0.00 N ATOM 210 CA THR A 13 8.839 8.878 -4.856 1.00 0.00 C ATOM 211 C THR A 13 7.648 8.476 -5.729 1.00 0.00 C ATOM 212 O THR A 13 7.826 8.057 -6.872 1.00 0.00 O ATOM 213 CB THR A 13 9.517 10.171 -5.312 1.00 0.00 C ATOM 214 OG1 THR A 13 9.879 10.820 -4.096 1.00 0.00 O ATOM 215 CG2 THR A 13 8.539 11.142 -5.976 1.00 0.00 C ATOM 0 H THR A 13 10.592 7.944 -5.527 1.00 0.00 H new ATOM 0 HA THR A 13 8.430 9.043 -3.859 1.00 0.00 H new ATOM 0 HB THR A 13 10.321 9.933 -6.008 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.327 11.668 -4.298 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.071 12.043 -6.281 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.095 10.669 -6.852 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.753 11.407 -5.269 1.00 0.00 H new ATOM 223 N CYS A 14 6.462 8.616 -5.158 1.00 0.00 N ATOM 224 CA CYS A 14 5.242 8.272 -5.869 1.00 0.00 C ATOM 225 C CYS A 14 5.004 9.328 -6.950 1.00 0.00 C ATOM 226 O CYS A 14 4.707 10.482 -6.643 1.00 0.00 O ATOM 227 CB CYS A 14 4.049 8.148 -4.920 1.00 0.00 C ATOM 228 SG CYS A 14 4.227 6.866 -3.626 1.00 0.00 S ATOM 0 H CYS A 14 6.319 8.963 -4.210 1.00 0.00 H new ATOM 0 HA CYS A 14 5.353 7.293 -6.335 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.885 9.111 -4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.157 7.930 -5.507 1.00 0.00 H new ATOM 233 N PRO A 15 5.143 8.895 -8.195 1.00 0.00 N ATOM 234 CA PRO A 15 5.096 9.846 -9.352 1.00 0.00 C ATOM 235 C PRO A 15 3.800 10.682 -9.632 1.00 0.00 C ATOM 236 O PRO A 15 2.846 10.634 -8.855 1.00 0.00 O ATOM 237 CB PRO A 15 5.485 8.939 -10.542 1.00 0.00 C ATOM 238 CG PRO A 15 5.102 7.518 -10.126 1.00 0.00 C ATOM 239 CD PRO A 15 5.356 7.483 -8.620 1.00 0.00 C ATOM 0 HA PRO A 15 5.759 10.684 -9.137 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.958 9.236 -11.449 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.552 9.010 -10.755 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.059 7.303 -10.358 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.705 6.775 -10.648 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.670 6.804 -8.114 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.366 7.144 -8.392 1.00 0.00 H new ATOM 247 N GLU A 16 3.831 11.410 -10.738 1.00 0.00 N ATOM 248 CA GLU A 16 2.698 12.234 -11.123 1.00 0.00 C ATOM 249 C GLU A 16 1.442 11.373 -11.276 1.00 0.00 C ATOM 250 O GLU A 16 1.385 10.499 -12.139 1.00 0.00 O ATOM 251 CB GLU A 16 2.993 13.005 -12.410 1.00 0.00 C ATOM 252 CG GLU A 16 2.000 14.153 -12.602 1.00 0.00 C ATOM 253 CD GLU A 16 2.663 15.339 -13.308 1.00 0.00 C ATOM 254 OE1 GLU A 16 3.288 16.149 -12.590 1.00 0.00 O ATOM 255 OE2 GLU A 16 2.528 15.409 -14.548 1.00 0.00 O ATOM 0 H GLU A 16 4.623 11.447 -11.380 1.00 0.00 H new ATOM 0 HA GLU A 16 2.521 12.964 -10.333 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.008 13.400 -12.377 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.942 12.329 -13.263 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.147 13.807 -13.187 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.614 14.471 -11.633 1.00 0.00 H new ATOM 262 N GLY A 17 0.466 11.650 -10.423 1.00 0.00 N ATOM 263 CA GLY A 17 -0.785 10.911 -10.452 1.00 0.00 C ATOM 264 C GLY A 17 -1.039 10.210 -9.116 1.00 0.00 C ATOM 265 O GLY A 17 -2.172 10.165 -8.639 1.00 0.00 O ATOM 0 H GLY A 17 0.516 12.376 -9.708 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.608 11.591 -10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.757 10.174 -11.254 1.00 0.00 H new ATOM 269 N LYS A 18 0.035 9.679 -8.551 1.00 0.00 N ATOM 270 CA LYS A 18 -0.057 8.980 -7.279 1.00 0.00 C ATOM 271 C LYS A 18 0.851 9.668 -6.259 1.00 0.00 C ATOM 272 O LYS A 18 2.074 9.625 -6.381 1.00 0.00 O ATOM 273 CB LYS A 18 0.241 7.492 -7.462 1.00 0.00 C ATOM 274 CG LYS A 18 -0.615 6.894 -8.581 1.00 0.00 C ATOM 275 CD LYS A 18 0.090 5.704 -9.236 1.00 0.00 C ATOM 276 CE LYS A 18 0.686 6.097 -10.589 1.00 0.00 C ATOM 277 NZ LYS A 18 -0.379 6.537 -11.517 1.00 0.00 N ATOM 0 H LYS A 18 0.973 9.718 -8.950 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.073 9.031 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.297 7.355 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.049 6.962 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.576 6.575 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.822 7.656 -9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.879 5.338 -8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.618 4.886 -9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.412 6.898 -10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.222 5.250 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.086 6.348 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.255 6.016 -11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.546 7.556 -11.396 1.00 0.00 H new ATOM 291 N ASN A 19 0.217 10.287 -5.272 1.00 0.00 N ATOM 292 CA ASN A 19 0.954 10.983 -4.231 1.00 0.00 C ATOM 293 C ASN A 19 0.711 10.288 -2.889 1.00 0.00 C ATOM 294 O ASN A 19 1.435 10.524 -1.924 1.00 0.00 O ATOM 295 CB ASN A 19 0.485 12.435 -4.102 1.00 0.00 C ATOM 296 CG ASN A 19 1.611 13.330 -3.579 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.733 12.899 -3.366 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.251 14.595 -3.386 1.00 0.00 N ATOM 0 H ASN A 19 -0.798 10.321 -5.172 1.00 0.00 H new ATOM 0 HA ASN A 19 2.011 10.967 -4.497 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.147 12.799 -5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.369 12.487 -3.427 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.931 15.272 -3.039 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.295 14.889 -3.585 1.00 0.00 H new ATOM 305 N LEU A 20 -0.311 9.444 -2.873 1.00 0.00 N ATOM 306 CA LEU A 20 -0.657 8.714 -1.666 1.00 0.00 C ATOM 307 C LEU A 20 -0.122 7.284 -1.770 1.00 0.00 C ATOM 308 O LEU A 20 0.134 6.791 -2.867 1.00 0.00 O ATOM 309 CB LEU A 20 -2.165 8.789 -1.409 1.00 0.00 C ATOM 310 CG LEU A 20 -2.737 10.189 -1.186 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.245 10.212 -1.445 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.387 10.710 0.209 1.00 0.00 C ATOM 0 H LEU A 20 -0.909 9.250 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.185 9.170 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.681 8.338 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.395 8.180 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.276 10.865 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.627 11.219 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.442 9.914 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.741 9.519 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.806 11.708 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.801 10.040 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.304 10.754 0.320 1.00 0.00 H new ATOM 324 N CYS A 21 0.031 6.658 -0.611 1.00 0.00 N ATOM 325 CA CYS A 21 0.531 5.295 -0.558 1.00 0.00 C ATOM 326 C CYS A 21 -0.521 4.423 0.128 1.00 0.00 C ATOM 327 O CYS A 21 -1.258 4.897 0.992 1.00 0.00 O ATOM 328 CB CYS A 21 1.886 5.217 0.150 1.00 0.00 C ATOM 329 SG CYS A 21 3.036 6.587 -0.239 1.00 0.00 S ATOM 0 H CYS A 21 -0.183 7.070 0.297 1.00 0.00 H new ATOM 0 HA CYS A 21 0.701 4.928 -1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.717 5.198 1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.364 4.274 -0.114 1.00 0.00 H new ATOM 334 N TYR A 22 -0.560 3.164 -0.283 1.00 0.00 N ATOM 335 CA TYR A 22 -1.511 2.221 0.281 1.00 0.00 C ATOM 336 C TYR A 22 -0.909 0.818 0.364 1.00 0.00 C ATOM 337 O TYR A 22 0.052 0.508 -0.339 1.00 0.00 O ATOM 338 CB TYR A 22 -2.701 2.197 -0.681 1.00 0.00 C ATOM 339 CG TYR A 22 -2.422 1.472 -1.998 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.496 0.095 -2.057 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.097 2.194 -3.128 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.233 -0.588 -3.297 1.00 0.00 C ATOM 343 CE2 TYR A 22 -1.835 1.511 -4.368 1.00 0.00 C ATOM 344 CZ TYR A 22 -1.915 0.153 -4.391 1.00 0.00 C ATOM 345 OH TYR A 22 -1.668 -0.491 -5.562 1.00 0.00 O ATOM 0 H TYR A 22 0.052 2.775 -1.000 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.795 2.519 1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.545 1.717 -0.186 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.000 3.222 -0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.751 -0.470 -1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.039 3.271 -3.082 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.287 -1.665 -3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.581 2.064 -5.260 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.455 0.165 -6.258 1.00 0.00 H new ATOM 355 N LYS A 23 -1.499 0.005 1.227 1.00 0.00 N ATOM 356 CA LYS A 23 -1.033 -1.358 1.411 1.00 0.00 C ATOM 357 C LYS A 23 -2.227 -2.265 1.714 1.00 0.00 C ATOM 358 O LYS A 23 -2.891 -2.102 2.736 1.00 0.00 O ATOM 359 CB LYS A 23 0.065 -1.411 2.475 1.00 0.00 C ATOM 360 CG LYS A 23 -0.247 -0.459 3.632 1.00 0.00 C ATOM 361 CD LYS A 23 1.005 -0.179 4.465 1.00 0.00 C ATOM 362 CE LYS A 23 0.884 1.154 5.206 1.00 0.00 C ATOM 363 NZ LYS A 23 1.247 0.989 6.631 1.00 0.00 N ATOM 0 H LYS A 23 -2.297 0.265 1.807 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.574 -1.730 0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.162 -2.429 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.023 -1.145 2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.644 0.477 3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.020 -0.893 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.157 -0.985 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.881 -0.160 3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.535 1.895 4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.136 1.530 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.559 1.494 7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.241 -0.022 6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.197 1.379 6.795 1.00 0.00 H new ATOM 377 N MET A 24 -2.464 -3.202 0.806 1.00 0.00 N ATOM 378 CA MET A 24 -3.567 -4.135 0.965 1.00 0.00 C ATOM 379 C MET A 24 -3.116 -5.398 1.700 1.00 0.00 C ATOM 380 O MET A 24 -2.089 -5.984 1.361 1.00 0.00 O ATOM 381 CB MET A 24 -4.115 -4.514 -0.413 1.00 0.00 C ATOM 382 CG MET A 24 -5.150 -3.493 -0.891 1.00 0.00 C ATOM 383 SD MET A 24 -4.431 -2.432 -2.134 1.00 0.00 S ATOM 384 CE MET A 24 -5.170 -3.130 -3.602 1.00 0.00 C ATOM 0 H MET A 24 -1.911 -3.335 -0.041 1.00 0.00 H new ATOM 0 HA MET A 24 -4.345 -3.652 1.557 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.297 -4.571 -1.131 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.569 -5.504 -0.368 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.020 -4.008 -1.299 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.500 -2.896 -0.049 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.388 -3.389 -4.315 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.730 -4.027 -3.336 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.844 -2.401 -4.052 1.00 0.00 H new ATOM 394 N PHE A 25 -3.906 -5.779 2.694 1.00 0.00 N ATOM 395 CA PHE A 25 -3.600 -6.962 3.480 1.00 0.00 C ATOM 396 C PHE A 25 -4.682 -8.030 3.307 1.00 0.00 C ATOM 397 O PHE A 25 -5.845 -7.798 3.635 1.00 0.00 O ATOM 398 CB PHE A 25 -3.560 -6.526 4.946 1.00 0.00 C ATOM 399 CG PHE A 25 -2.530 -5.434 5.244 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.866 -4.124 5.095 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.279 -5.773 5.655 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.910 -3.111 5.371 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.323 -4.759 5.930 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.659 -3.450 5.782 1.00 0.00 C ATOM 0 H PHE A 25 -4.757 -5.290 2.972 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.651 -7.389 3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.548 -6.167 5.235 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.343 -7.395 5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.859 -3.855 4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.012 -6.813 5.772 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.177 -2.071 5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.671 -5.028 6.257 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.068 -2.679 5.991 1.00 0.00 H new ATOM 414 N MET A 26 -4.261 -9.175 2.793 1.00 0.00 N ATOM 415 CA MET A 26 -5.179 -10.280 2.572 1.00 0.00 C ATOM 416 C MET A 26 -5.354 -11.110 3.845 1.00 0.00 C ATOM 417 O MET A 26 -4.483 -11.113 4.714 1.00 0.00 O ATOM 418 CB MET A 26 -4.644 -11.172 1.451 1.00 0.00 C ATOM 419 CG MET A 26 -5.771 -11.598 0.505 1.00 0.00 C ATOM 420 SD MET A 26 -6.080 -13.348 0.675 1.00 0.00 S ATOM 421 CE MET A 26 -7.863 -13.344 0.731 1.00 0.00 C ATOM 0 H MET A 26 -3.296 -9.362 2.523 1.00 0.00 H new ATOM 0 HA MET A 26 -6.149 -9.871 2.291 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.876 -10.638 0.891 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.170 -12.055 1.879 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.678 -11.036 0.730 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.500 -11.366 -0.525 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.232 -14.367 0.657 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.197 -12.905 1.671 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.252 -12.757 -0.101 1.00 0.00 H new ATOM 431 N MET A 27 -6.487 -11.794 3.917 1.00 0.00 N ATOM 432 CA MET A 27 -6.787 -12.626 5.069 1.00 0.00 C ATOM 433 C MET A 27 -6.730 -11.812 6.364 1.00 0.00 C ATOM 434 O MET A 27 -7.764 -11.426 6.905 1.00 0.00 O ATOM 435 CB MET A 27 -5.782 -13.777 5.145 1.00 0.00 C ATOM 436 CG MET A 27 -5.933 -14.715 3.946 1.00 0.00 C ATOM 437 SD MET A 27 -6.437 -16.336 4.499 1.00 0.00 S ATOM 438 CE MET A 27 -7.551 -16.782 3.177 1.00 0.00 C ATOM 0 H MET A 27 -7.208 -11.789 3.196 1.00 0.00 H new ATOM 0 HA MET A 27 -7.796 -13.021 4.954 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.768 -13.378 5.174 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.932 -14.335 6.069 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.670 -14.314 3.250 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.989 -14.783 3.406 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.960 -17.775 3.365 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.365 -16.058 3.127 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.010 -16.785 2.231 1.00 0.00 H new ATOM 448 N SER A 28 -5.509 -11.574 6.821 1.00 0.00 N ATOM 449 CA SER A 28 -5.303 -10.812 8.042 1.00 0.00 C ATOM 450 C SER A 28 -4.225 -9.750 7.819 1.00 0.00 C ATOM 451 O SER A 28 -3.326 -9.934 7.000 1.00 0.00 O ATOM 452 CB SER A 28 -4.913 -11.729 9.203 1.00 0.00 C ATOM 453 OG SER A 28 -6.029 -12.459 9.705 1.00 0.00 O ATOM 0 H SER A 28 -4.653 -11.895 6.368 1.00 0.00 H new ATOM 0 HA SER A 28 -6.240 -10.320 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.143 -12.426 8.872 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.479 -11.133 10.006 1.00 0.00 H new ATOM 0 HG SER A 28 -5.738 -13.034 10.444 1.00 0.00 H new ATOM 459 N ASP A 29 -4.350 -8.662 8.564 1.00 0.00 N ATOM 460 CA ASP A 29 -3.397 -7.569 8.459 1.00 0.00 C ATOM 461 C ASP A 29 -2.399 -7.655 9.615 1.00 0.00 C ATOM 462 O ASP A 29 -1.300 -7.110 9.533 1.00 0.00 O ATOM 463 CB ASP A 29 -4.102 -6.213 8.541 1.00 0.00 C ATOM 464 CG ASP A 29 -5.485 -6.243 9.193 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.400 -6.811 8.558 1.00 0.00 O ATOM 466 OD2 ASP A 29 -5.598 -5.696 10.311 1.00 0.00 O ATOM 0 H ASP A 29 -5.096 -8.513 9.243 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.891 -7.654 7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.468 -5.524 9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.201 -5.810 7.533 1.00 0.00 H new ATOM 471 N LEU A 30 -2.819 -8.343 10.667 1.00 0.00 N ATOM 472 CA LEU A 30 -1.976 -8.507 11.839 1.00 0.00 C ATOM 473 C LEU A 30 -0.554 -8.857 11.394 1.00 0.00 C ATOM 474 O LEU A 30 0.410 -8.572 12.103 1.00 0.00 O ATOM 475 CB LEU A 30 -2.589 -9.526 12.801 1.00 0.00 C ATOM 476 CG LEU A 30 -3.841 -9.072 13.552 1.00 0.00 C ATOM 477 CD1 LEU A 30 -4.777 -10.251 13.822 1.00 0.00 C ATOM 478 CD2 LEU A 30 -3.471 -8.329 14.837 1.00 0.00 C ATOM 0 H LEU A 30 -3.732 -8.793 10.732 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.914 -7.573 12.398 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.834 -10.426 12.237 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.832 -9.805 13.533 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.382 -8.370 12.918 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.659 -9.900 14.357 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.081 -10.698 12.876 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.259 -10.996 14.426 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.380 -8.017 15.352 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.895 -8.989 15.486 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.874 -7.451 14.591 1.00 0.00 H new ATOM 490 N THR A 31 -0.469 -9.471 10.223 1.00 0.00 N ATOM 491 CA THR A 31 0.818 -9.863 9.677 1.00 0.00 C ATOM 492 C THR A 31 1.211 -8.939 8.522 1.00 0.00 C ATOM 493 O THR A 31 0.486 -7.999 8.201 1.00 0.00 O ATOM 494 CB THR A 31 0.731 -11.336 9.273 1.00 0.00 C ATOM 495 OG1 THR A 31 -0.229 -11.352 8.220 1.00 0.00 O ATOM 496 CG2 THR A 31 0.103 -12.207 10.363 1.00 0.00 C ATOM 0 H THR A 31 -1.271 -9.706 9.638 1.00 0.00 H new ATOM 0 HA THR A 31 1.610 -9.760 10.419 1.00 0.00 H new ATOM 0 HB THR A 31 1.729 -11.708 9.042 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.346 -12.270 7.897 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.065 -13.242 10.025 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.703 -12.143 11.271 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.908 -11.856 10.571 1.00 0.00 H new ATOM 504 N ILE A 32 2.358 -9.239 7.930 1.00 0.00 N ATOM 505 CA ILE A 32 2.856 -8.446 6.819 1.00 0.00 C ATOM 506 C ILE A 32 1.828 -8.463 5.685 1.00 0.00 C ATOM 507 O ILE A 32 1.069 -9.421 5.545 1.00 0.00 O ATOM 508 CB ILE A 32 4.244 -8.929 6.396 1.00 0.00 C ATOM 509 CG1 ILE A 32 5.327 -7.947 6.847 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.299 -9.191 4.890 1.00 0.00 C ATOM 511 CD1 ILE A 32 6.553 -8.689 7.382 1.00 0.00 C ATOM 0 H ILE A 32 2.956 -10.020 8.199 1.00 0.00 H new ATOM 0 HA ILE A 32 2.983 -7.406 7.120 1.00 0.00 H new ATOM 0 HB ILE A 32 4.442 -9.878 6.895 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.618 -7.312 6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.928 -7.291 7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.297 -9.533 4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.568 -9.956 4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.071 -8.271 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.307 -7.967 7.695 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.263 -9.304 8.234 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.964 -9.325 6.598 1.00 0.00 H new ATOM 523 N PRO A 33 1.836 -7.391 4.905 1.00 0.00 N ATOM 524 CA PRO A 33 0.892 -7.271 3.748 1.00 0.00 C ATOM 525 C PRO A 33 0.998 -8.265 2.541 1.00 0.00 C ATOM 526 O PRO A 33 1.777 -9.216 2.581 1.00 0.00 O ATOM 527 CB PRO A 33 1.078 -5.798 3.322 1.00 0.00 C ATOM 528 CG PRO A 33 2.495 -5.414 3.752 1.00 0.00 C ATOM 529 CD PRO A 33 2.728 -6.207 5.037 1.00 0.00 C ATOM 0 HA PRO A 33 -0.104 -7.562 4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.952 -5.684 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.337 -5.157 3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.227 -5.673 2.987 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.581 -4.341 3.925 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.772 -6.505 5.137 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.479 -5.617 5.919 1.00 0.00 H new ATOM 537 N VAL A 34 0.199 -7.992 1.520 1.00 0.00 N ATOM 538 CA VAL A 34 0.190 -8.828 0.332 1.00 0.00 C ATOM 539 C VAL A 34 0.582 -7.985 -0.884 1.00 0.00 C ATOM 540 O VAL A 34 1.352 -8.432 -1.732 1.00 0.00 O ATOM 541 CB VAL A 34 -1.174 -9.503 0.177 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.331 -10.656 1.171 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.308 -8.489 0.331 1.00 0.00 C ATOM 0 H VAL A 34 -0.447 -7.203 1.491 1.00 0.00 H new ATOM 0 HA VAL A 34 0.925 -9.628 0.423 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.230 -9.918 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.309 -11.119 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.552 -11.398 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.244 -10.274 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.267 -8.995 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.255 -8.031 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.212 -7.717 -0.432 1.00 0.00 H new ATOM 553 N LYS A 35 0.032 -6.780 -0.929 1.00 0.00 N ATOM 554 CA LYS A 35 0.313 -5.870 -2.026 1.00 0.00 C ATOM 555 C LYS A 35 0.225 -4.428 -1.523 1.00 0.00 C ATOM 556 O LYS A 35 -0.429 -4.157 -0.517 1.00 0.00 O ATOM 557 CB LYS A 35 -0.604 -6.165 -3.215 1.00 0.00 C ATOM 558 CG LYS A 35 -0.334 -5.196 -4.369 1.00 0.00 C ATOM 559 CD LYS A 35 -1.279 -5.464 -5.542 1.00 0.00 C ATOM 560 CE LYS A 35 -0.521 -5.452 -6.870 1.00 0.00 C ATOM 561 NZ LYS A 35 -1.453 -5.223 -7.997 1.00 0.00 N ATOM 0 H LYS A 35 -0.607 -6.413 -0.223 1.00 0.00 H new ATOM 0 HA LYS A 35 1.329 -6.018 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.450 -7.190 -3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.646 -6.085 -2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.459 -4.170 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.700 -5.297 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.768 -6.429 -5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.065 -4.709 -5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.239 -4.671 -6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.001 -6.400 -7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.922 -5.218 -8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.163 -5.983 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.930 -4.307 -7.872 1.00 0.00 H new ATOM 575 N ARG A 36 0.893 -3.541 -2.245 1.00 0.00 N ATOM 576 CA ARG A 36 0.899 -2.133 -1.885 1.00 0.00 C ATOM 577 C ARG A 36 1.442 -1.291 -3.040 1.00 0.00 C ATOM 578 O ARG A 36 1.938 -1.832 -4.028 1.00 0.00 O ATOM 579 CB ARG A 36 1.752 -1.888 -0.638 1.00 0.00 C ATOM 580 CG ARG A 36 3.169 -2.429 -0.828 1.00 0.00 C ATOM 581 CD ARG A 36 3.978 -1.530 -1.766 1.00 0.00 C ATOM 582 NE ARG A 36 4.206 -2.219 -3.056 1.00 0.00 N ATOM 583 CZ ARG A 36 4.597 -1.601 -4.179 1.00 0.00 C ATOM 584 NH1 ARG A 36 4.807 -0.278 -4.178 1.00 0.00 N ATOM 585 NH2 ARG A 36 4.778 -2.308 -5.303 1.00 0.00 N ATOM 0 H ARG A 36 1.435 -3.770 -3.078 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.129 -1.841 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.792 -0.820 -0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.288 -2.368 0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.669 -2.496 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.125 -3.439 -1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.446 -0.593 -1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.933 -1.276 -1.306 1.00 0.00 H new ATOM 0 HE ARG A 36 4.056 -3.227 -3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.669 0.260 -3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.105 0.192 -5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.618 -3.315 -5.303 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.076 -1.839 -6.158 1.00 0.00 H new ATOM 599 N GLY A 37 1.330 0.020 -2.879 1.00 0.00 N ATOM 600 CA GLY A 37 1.805 0.941 -3.897 1.00 0.00 C ATOM 601 C GLY A 37 1.263 2.352 -3.654 1.00 0.00 C ATOM 602 O GLY A 37 0.738 2.642 -2.580 1.00 0.00 O ATOM 0 H GLY A 37 0.917 0.465 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.895 0.961 -3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.494 0.592 -4.882 1.00 0.00 H new ATOM 606 N CYS A 38 1.410 3.191 -4.669 1.00 0.00 N ATOM 607 CA CYS A 38 0.942 4.563 -4.580 1.00 0.00 C ATOM 608 C CYS A 38 -0.413 4.656 -5.285 1.00 0.00 C ATOM 609 O CYS A 38 -0.711 3.859 -6.173 1.00 0.00 O ATOM 610 CB CYS A 38 1.958 5.546 -5.164 1.00 0.00 C ATOM 611 SG CYS A 38 3.704 5.177 -4.761 1.00 0.00 S ATOM 0 H CYS A 38 1.847 2.946 -5.558 1.00 0.00 H new ATOM 0 HA CYS A 38 0.825 4.842 -3.533 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.846 5.561 -6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.721 6.547 -4.805 1.00 0.00 H new ATOM 616 N ILE A 39 -1.198 5.636 -4.861 1.00 0.00 N ATOM 617 CA ILE A 39 -2.514 5.844 -5.440 1.00 0.00 C ATOM 618 C ILE A 39 -2.916 7.310 -5.270 1.00 0.00 C ATOM 619 O ILE A 39 -2.176 8.095 -4.680 1.00 0.00 O ATOM 620 CB ILE A 39 -3.522 4.857 -4.848 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.734 4.693 -5.766 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.928 5.271 -3.432 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.225 3.244 -5.774 1.00 0.00 C ATOM 0 H ILE A 39 -0.948 6.294 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.495 5.641 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.041 3.882 -4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.537 5.351 -5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.471 4.997 -6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.645 4.553 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.045 5.295 -2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.383 6.261 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.087 3.156 -6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.427 2.592 -6.129 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.510 2.951 -4.764 1.00 0.00 H new ATOM 635 N ASP A 40 -4.088 7.635 -5.797 1.00 0.00 N ATOM 636 CA ASP A 40 -4.597 8.993 -5.710 1.00 0.00 C ATOM 637 C ASP A 40 -5.857 9.005 -4.842 1.00 0.00 C ATOM 638 O ASP A 40 -6.058 9.924 -4.048 1.00 0.00 O ATOM 639 CB ASP A 40 -4.971 9.530 -7.093 1.00 0.00 C ATOM 640 CG ASP A 40 -5.669 10.890 -7.091 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.550 11.589 -6.060 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.307 11.204 -8.120 1.00 0.00 O ATOM 0 H ASP A 40 -4.699 6.981 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.816 9.620 -5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.065 9.604 -7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.621 8.806 -7.584 1.00 0.00 H new ATOM 647 N VAL A 41 -6.671 7.976 -5.021 1.00 0.00 N ATOM 648 CA VAL A 41 -7.906 7.858 -4.262 1.00 0.00 C ATOM 649 C VAL A 41 -8.013 6.444 -3.690 1.00 0.00 C ATOM 650 O VAL A 41 -7.892 5.463 -4.420 1.00 0.00 O ATOM 651 CB VAL A 41 -9.098 8.238 -5.143 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.420 7.905 -4.449 1.00 0.00 C ATOM 653 CG2 VAL A 41 -9.041 9.717 -5.534 1.00 0.00 C ATOM 0 H VAL A 41 -6.501 7.216 -5.680 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.906 8.551 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.041 7.647 -6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.251 8.185 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.464 6.835 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.488 8.457 -3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.899 9.961 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.061 10.332 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.122 9.912 -6.086 1.00 0.00 H new ATOM 663 N CYS A 42 -8.240 6.385 -2.385 1.00 0.00 N ATOM 664 CA CYS A 42 -8.365 5.107 -1.704 1.00 0.00 C ATOM 665 C CYS A 42 -9.606 4.394 -2.247 1.00 0.00 C ATOM 666 O CYS A 42 -10.719 4.901 -2.129 1.00 0.00 O ATOM 667 CB CYS A 42 -8.424 5.278 -0.186 1.00 0.00 C ATOM 668 SG CYS A 42 -7.974 3.786 0.774 1.00 0.00 S ATOM 0 H CYS A 42 -8.340 7.201 -1.782 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.482 4.499 -1.900 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.757 6.091 0.100 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.433 5.581 0.092 1.00 0.00 H new ATOM 673 N PRO A 43 -9.369 3.228 -2.831 1.00 0.00 N ATOM 674 CA PRO A 43 -10.483 2.264 -3.107 1.00 0.00 C ATOM 675 C PRO A 43 -11.313 1.661 -1.922 1.00 0.00 C ATOM 676 O PRO A 43 -10.932 1.795 -0.760 1.00 0.00 O ATOM 677 CB PRO A 43 -9.778 1.177 -3.950 1.00 0.00 C ATOM 678 CG PRO A 43 -8.460 1.799 -4.416 1.00 0.00 C ATOM 679 CD PRO A 43 -8.061 2.735 -3.278 1.00 0.00 C ATOM 0 HA PRO A 43 -11.298 2.805 -3.587 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.599 0.279 -3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.393 0.882 -4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.700 1.037 -4.589 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.586 2.342 -5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.527 2.212 -2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.413 3.542 -3.619 1.00 0.00 H new ATOM 687 N LYS A 44 -12.417 1.022 -2.280 1.00 0.00 N ATOM 688 CA LYS A 44 -13.286 0.414 -1.287 1.00 0.00 C ATOM 689 C LYS A 44 -12.627 -0.861 -0.753 1.00 0.00 C ATOM 690 O LYS A 44 -12.266 -1.747 -1.525 1.00 0.00 O ATOM 691 CB LYS A 44 -14.684 0.187 -1.864 1.00 0.00 C ATOM 692 CG LYS A 44 -15.222 1.462 -2.516 1.00 0.00 C ATOM 693 CD LYS A 44 -16.327 1.139 -3.524 1.00 0.00 C ATOM 694 CE LYS A 44 -15.780 1.131 -4.953 1.00 0.00 C ATOM 695 NZ LYS A 44 -16.852 0.794 -5.916 1.00 0.00 N ATOM 0 H LYS A 44 -12.730 0.912 -3.245 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.422 1.084 -0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.651 -0.616 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.360 -0.134 -1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.610 2.131 -1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.410 1.989 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.763 0.167 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -17.127 1.875 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.361 2.108 -5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.969 0.407 -5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.464 0.793 -6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.234 -0.148 -5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.613 1.500 -5.850 1.00 0.00 H new ATOM 709 N ASN A 45 -12.491 -0.910 0.564 1.00 0.00 N ATOM 710 CA ASN A 45 -11.882 -2.060 1.210 1.00 0.00 C ATOM 711 C ASN A 45 -12.879 -3.221 1.219 1.00 0.00 C ATOM 712 O ASN A 45 -14.071 -3.023 0.994 1.00 0.00 O ATOM 713 CB ASN A 45 -11.511 -1.745 2.661 1.00 0.00 C ATOM 714 CG ASN A 45 -10.904 -2.968 3.350 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.280 -3.815 2.733 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.122 -3.014 4.661 1.00 0.00 N ATOM 0 H ASN A 45 -12.792 -0.172 1.201 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.980 -2.320 0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.801 -0.919 2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.398 -1.420 3.205 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.758 -3.792 5.212 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.653 -2.271 5.116 1.00 0.00 H new ATOM 723 N SER A 46 -12.352 -4.408 1.482 1.00 0.00 N ATOM 724 CA SER A 46 -13.180 -5.602 1.523 1.00 0.00 C ATOM 725 C SER A 46 -12.979 -6.333 2.852 1.00 0.00 C ATOM 726 O SER A 46 -12.224 -5.874 3.709 1.00 0.00 O ATOM 727 CB SER A 46 -12.863 -6.534 0.352 1.00 0.00 C ATOM 728 OG SER A 46 -11.565 -7.110 0.464 1.00 0.00 O ATOM 0 H SER A 46 -11.362 -4.569 1.669 1.00 0.00 H new ATOM 0 HA SER A 46 -14.223 -5.297 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.609 -7.327 0.308 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.933 -5.978 -0.583 1.00 0.00 H new ATOM 0 HG SER A 46 -11.402 -7.700 -0.302 1.00 0.00 H new ATOM 734 N LEU A 47 -13.666 -7.458 2.982 1.00 0.00 N ATOM 735 CA LEU A 47 -13.571 -8.258 4.192 1.00 0.00 C ATOM 736 C LEU A 47 -12.448 -9.283 4.034 1.00 0.00 C ATOM 737 O LEU A 47 -11.885 -9.750 5.024 1.00 0.00 O ATOM 738 CB LEU A 47 -14.928 -8.879 4.530 1.00 0.00 C ATOM 739 CG LEU A 47 -14.888 -10.269 5.170 1.00 0.00 C ATOM 740 CD1 LEU A 47 -15.780 -10.325 6.413 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.253 -11.351 4.152 1.00 0.00 C ATOM 0 H LEU A 47 -14.291 -7.835 2.270 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.312 -7.631 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.456 -8.205 5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.516 -8.939 3.614 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.867 -10.467 5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.734 -11.323 6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.433 -9.594 7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.809 -10.098 6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.217 -12.329 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -16.259 -11.169 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.544 -11.326 3.325 1.00 0.00 H new ATOM 753 N LEU A 48 -12.153 -9.604 2.784 1.00 0.00 N ATOM 754 CA LEU A 48 -11.106 -10.566 2.484 1.00 0.00 C ATOM 755 C LEU A 48 -9.746 -9.870 2.553 1.00 0.00 C ATOM 756 O LEU A 48 -8.756 -10.472 2.967 1.00 0.00 O ATOM 757 CB LEU A 48 -11.377 -11.254 1.144 1.00 0.00 C ATOM 758 CG LEU A 48 -12.101 -12.600 1.216 1.00 0.00 C ATOM 759 CD1 LEU A 48 -11.228 -13.656 1.897 1.00 0.00 C ATOM 760 CD2 LEU A 48 -13.462 -12.454 1.899 1.00 0.00 C ATOM 0 H LEU A 48 -12.621 -9.215 1.966 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.096 -11.362 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.967 -10.579 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.425 -11.403 0.635 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.287 -12.943 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.766 -14.603 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.305 -13.785 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.990 -13.333 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.956 -13.425 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.322 -12.078 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.079 -11.755 1.335 1.00 0.00 H new ATOM 772 N VAL A 49 -9.739 -8.610 2.142 1.00 0.00 N ATOM 773 CA VAL A 49 -8.516 -7.826 2.151 1.00 0.00 C ATOM 774 C VAL A 49 -8.739 -6.552 2.969 1.00 0.00 C ATOM 775 O VAL A 49 -9.878 -6.167 3.227 1.00 0.00 O ATOM 776 CB VAL A 49 -8.064 -7.543 0.716 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.683 -6.885 0.697 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.074 -8.821 -0.123 1.00 0.00 C ATOM 0 H VAL A 49 -10.562 -8.113 1.801 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.709 -8.383 2.628 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.774 -6.845 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.385 -6.694 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.721 -5.943 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.957 -7.548 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.749 -8.592 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.397 -9.552 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.084 -9.231 -0.149 1.00 0.00 H new ATOM 788 N LYS A 50 -7.632 -5.934 3.355 1.00 0.00 N ATOM 789 CA LYS A 50 -7.692 -4.711 4.139 1.00 0.00 C ATOM 790 C LYS A 50 -6.877 -3.622 3.440 1.00 0.00 C ATOM 791 O LYS A 50 -5.666 -3.759 3.272 1.00 0.00 O ATOM 792 CB LYS A 50 -7.254 -4.978 5.581 1.00 0.00 C ATOM 793 CG LYS A 50 -7.779 -3.893 6.523 1.00 0.00 C ATOM 794 CD LYS A 50 -6.700 -3.459 7.516 1.00 0.00 C ATOM 795 CE LYS A 50 -7.325 -2.892 8.792 1.00 0.00 C ATOM 796 NZ LYS A 50 -6.271 -2.433 9.726 1.00 0.00 N ATOM 0 H LYS A 50 -6.689 -6.257 3.140 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.718 -4.349 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.622 -5.953 5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.166 -5.015 5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.111 -3.032 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.648 -4.266 7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.066 -4.310 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.059 -2.707 7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.985 -2.061 8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.939 -3.654 9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.712 -2.051 10.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.657 -3.234 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.702 -1.691 9.270 1.00 0.00 H new ATOM 810 N TYR A 51 -7.575 -2.564 3.051 1.00 0.00 N ATOM 811 CA TYR A 51 -6.929 -1.451 2.375 1.00 0.00 C ATOM 812 C TYR A 51 -6.494 -0.378 3.374 1.00 0.00 C ATOM 813 O TYR A 51 -7.327 0.203 4.070 1.00 0.00 O ATOM 814 CB TYR A 51 -7.985 -0.860 1.438 1.00 0.00 C ATOM 815 CG TYR A 51 -8.079 -1.564 0.083 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.259 -2.931 0.028 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.985 -0.832 -1.084 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.348 -3.594 -1.249 1.00 0.00 C ATOM 819 CE2 TYR A 51 -8.073 -1.495 -2.359 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.251 -2.843 -2.379 1.00 0.00 C ATOM 821 OH TYR A 51 -8.334 -3.469 -3.583 1.00 0.00 O ATOM 0 H TYR A 51 -8.579 -2.454 3.191 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.038 -1.789 1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.957 -0.906 1.928 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.761 0.194 1.273 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.333 -3.504 0.941 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.845 0.238 -1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.489 -4.663 -1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.999 -0.934 -3.279 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.249 -2.808 -4.302 1.00 0.00 H new ATOM 831 N VAL A 52 -5.190 -0.148 3.416 1.00 0.00 N ATOM 832 CA VAL A 52 -4.634 0.844 4.320 1.00 0.00 C ATOM 833 C VAL A 52 -3.941 1.938 3.506 1.00 0.00 C ATOM 834 O VAL A 52 -2.803 1.767 3.071 1.00 0.00 O ATOM 835 CB VAL A 52 -3.703 0.170 5.330 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.402 1.102 6.506 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.291 -1.155 5.817 1.00 0.00 C ATOM 0 H VAL A 52 -4.502 -0.632 2.838 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.426 1.320 4.897 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.761 -0.046 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.738 0.598 7.209 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.921 2.008 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.332 1.364 7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.610 -1.614 6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.253 -0.972 6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.430 -1.825 4.969 1.00 0.00 H new ATOM 847 N CYS A 53 -4.656 3.039 3.323 1.00 0.00 N ATOM 848 CA CYS A 53 -4.124 4.161 2.568 1.00 0.00 C ATOM 849 C CYS A 53 -3.485 5.142 3.553 1.00 0.00 C ATOM 850 O CYS A 53 -3.893 5.219 4.711 1.00 0.00 O ATOM 851 CB CYS A 53 -5.202 4.830 1.713 1.00 0.00 C ATOM 852 SG CYS A 53 -5.907 3.769 0.399 1.00 0.00 S ATOM 0 H CYS A 53 -5.600 3.178 3.685 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.368 3.806 1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.010 5.161 2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.778 5.722 1.252 1.00 0.00 H new ATOM 857 N CYS A 54 -2.495 5.869 3.056 1.00 0.00 N ATOM 858 CA CYS A 54 -1.796 6.843 3.877 1.00 0.00 C ATOM 859 C CYS A 54 -1.218 7.920 2.957 1.00 0.00 C ATOM 860 O CYS A 54 -1.259 7.785 1.736 1.00 0.00 O ATOM 861 CB CYS A 54 -0.714 6.185 4.736 1.00 0.00 C ATOM 862 SG CYS A 54 -0.200 4.518 4.182 1.00 0.00 S ATOM 0 H CYS A 54 -2.160 5.803 2.095 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.495 7.301 4.577 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.162 6.833 4.751 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.077 6.116 5.762 1.00 0.00 H new ATOM 867 N ASN A 55 -0.692 8.965 3.580 1.00 0.00 N ATOM 868 CA ASN A 55 -0.107 10.065 2.833 1.00 0.00 C ATOM 869 C ASN A 55 1.224 10.461 3.476 1.00 0.00 C ATOM 870 O ASN A 55 1.704 11.576 3.281 1.00 0.00 O ATOM 871 CB ASN A 55 -1.022 11.291 2.848 1.00 0.00 C ATOM 872 CG ASN A 55 -1.004 11.972 4.219 1.00 0.00 C ATOM 873 OD1 ASN A 55 -0.611 11.397 5.221 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.451 13.223 4.206 1.00 0.00 N ATOM 0 H ASN A 55 -0.659 9.073 4.594 1.00 0.00 H new ATOM 0 HA ASN A 55 0.036 9.735 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.702 11.998 2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.040 10.992 2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.480 13.763 5.071 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.765 13.643 3.331 1.00 0.00 H new ATOM 881 N THR A 56 1.783 9.524 4.228 1.00 0.00 N ATOM 882 CA THR A 56 3.048 9.762 4.900 1.00 0.00 C ATOM 883 C THR A 56 4.177 9.007 4.194 1.00 0.00 C ATOM 884 O THR A 56 4.004 7.859 3.790 1.00 0.00 O ATOM 885 CB THR A 56 2.884 9.371 6.371 1.00 0.00 C ATOM 886 OG1 THR A 56 2.450 8.015 6.322 1.00 0.00 O ATOM 887 CG2 THR A 56 1.727 10.109 7.046 1.00 0.00 C ATOM 0 H THR A 56 1.383 8.599 4.386 1.00 0.00 H new ATOM 0 HA THR A 56 3.326 10.815 4.857 1.00 0.00 H new ATOM 0 HB THR A 56 3.809 9.578 6.908 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.320 7.680 7.234 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.654 9.796 8.087 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.906 11.183 7.002 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.796 9.875 6.530 1.00 0.00 H new ATOM 895 N ASP A 57 5.310 9.684 4.068 1.00 0.00 N ATOM 896 CA ASP A 57 6.466 9.093 3.417 1.00 0.00 C ATOM 897 C ASP A 57 6.925 7.870 4.215 1.00 0.00 C ATOM 898 O ASP A 57 7.253 7.982 5.395 1.00 0.00 O ATOM 899 CB ASP A 57 7.632 10.083 3.359 1.00 0.00 C ATOM 900 CG ASP A 57 7.282 11.459 2.791 1.00 0.00 C ATOM 901 OD1 ASP A 57 6.948 11.509 1.588 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.357 12.431 3.573 1.00 0.00 O ATOM 0 H ASP A 57 5.451 10.636 4.406 1.00 0.00 H new ATOM 0 HA ASP A 57 6.177 8.816 2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.030 10.212 4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.428 9.649 2.755 1.00 0.00 H new ATOM 907 N ARG A 58 6.932 6.731 3.539 1.00 0.00 N ATOM 908 CA ARG A 58 7.344 5.488 4.170 1.00 0.00 C ATOM 909 C ARG A 58 6.258 4.994 5.127 1.00 0.00 C ATOM 910 O ARG A 58 6.562 4.463 6.195 1.00 0.00 O ATOM 911 CB ARG A 58 8.651 5.671 4.942 1.00 0.00 C ATOM 912 CG ARG A 58 9.588 6.638 4.214 1.00 0.00 C ATOM 913 CD ARG A 58 11.034 6.455 4.679 1.00 0.00 C ATOM 914 NE ARG A 58 11.440 5.040 4.526 1.00 0.00 N ATOM 915 CZ ARG A 58 12.584 4.531 5.003 1.00 0.00 C ATOM 916 NH1 ARG A 58 13.441 5.318 5.668 1.00 0.00 N ATOM 917 NH2 ARG A 58 12.870 3.235 4.816 1.00 0.00 N ATOM 0 H ARG A 58 6.659 6.642 2.560 1.00 0.00 H new ATOM 0 HA ARG A 58 7.501 4.751 3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.437 6.050 5.941 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.143 4.706 5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.524 6.471 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.271 7.665 4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.696 7.097 4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.131 6.759 5.721 1.00 0.00 H new ATOM 0 HE ARG A 58 10.809 4.413 4.026 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.222 6.304 5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.312 4.931 6.031 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.217 2.636 4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.741 2.847 5.179 1.00 0.00 H new ATOM 931 N CYS A 59 5.015 5.185 4.712 1.00 0.00 N ATOM 932 CA CYS A 59 3.883 4.765 5.520 1.00 0.00 C ATOM 933 C CYS A 59 3.750 3.245 5.408 1.00 0.00 C ATOM 934 O CYS A 59 3.369 2.579 6.369 1.00 0.00 O ATOM 935 CB CYS A 59 2.596 5.483 5.107 1.00 0.00 C ATOM 936 SG CYS A 59 1.721 4.733 3.686 1.00 0.00 S ATOM 0 H CYS A 59 4.766 5.625 3.826 1.00 0.00 H new ATOM 0 HA CYS A 59 4.055 5.037 6.561 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.919 5.506 5.961 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.836 6.518 4.863 1.00 0.00 H new ATOM 941 N ASN A 60 4.070 2.741 4.225 1.00 0.00 N ATOM 942 CA ASN A 60 3.991 1.312 3.974 1.00 0.00 C ATOM 943 C ASN A 60 5.375 0.688 4.167 1.00 0.00 C ATOM 944 O ASN A 60 5.513 -0.326 4.850 1.00 0.00 O ATOM 945 CB ASN A 60 3.540 1.028 2.540 1.00 0.00 C ATOM 946 CG ASN A 60 4.627 1.418 1.537 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.717 1.835 1.893 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.270 1.259 0.265 1.00 0.00 N ATOM 0 H ASN A 60 4.385 3.297 3.430 1.00 0.00 H new ATOM 0 HA ASN A 60 3.268 0.887 4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.303 -0.031 2.432 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.626 1.582 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.925 1.491 -0.481 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.341 0.905 0.036 1.00 0.00 H new