USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 677 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 27 GLN : amide:sc= -0.761 K(o=-1.1,f=-1.7) USER MOD Set 1.2: A 29 MET CE :methyl -116:sc= -0.345 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.0778 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -3.3! C(o=-3.3!,f=-6.8!) USER MOD Single : A 11 THR OG1 : rot 40:sc= 0.315! USER MOD Single : A 13 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.2!) USER MOD Single : A 15 ASN : amide:sc= -7.1! C(o=-7.1!,f=-9.4!) USER MOD Single : A 19 SER OG : rot 9:sc= 0.86! USER MOD Single : A 20 GLN : amide:sc= -2.16! C(o=-2.2!,f=-7.2!) USER MOD Single : A 34 SER OG : rot 67:sc= 1.05 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -92:sc= -0.551! USER MOD Single : A 43 SER OG : rot -42:sc= 0.391! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.0551 (180deg=-0.338) USER MOD Single : A 46 THR OG1 : rot -103:sc= -2.35! USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.35 K(o=-2.3,f=-7!) USER MOD Single : A 54 THR OG1 : rot 130:sc= -1.2 USER MOD Single : A 55 SER OG : rot 56:sc= 0.915 USER MOD Single : A 57 SER OG : rot -14:sc= -0.0861 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 71 MET CE :methyl 171:sc= -3.53! (180deg=-3.79!) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0525) USER MOD Single : A 78 ASN : amide:sc= -30! C(o=-30!,f=-45!) USER MOD Single : A 79 HIS : no HE2:sc= -23.5! C(o=-24!,f=-22!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.46 USER MOD Single : A 83 HIS : no HE2:sc= -17.2! C(o=-17!,f=-14!) USER MOD Single : A 85 SER OG : rot -96:sc= 0.00493 USER MOD Single : A 86 THR OG1 : rot 15:sc= 1.85 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 91 LYS NZ :NH3+ 150:sc= -0.303 (180deg=-1.29!) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0081 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.354 25.793 5.603 1.00 0.00 N ATOM 2 CA ALA A 1 -5.072 25.295 4.401 1.00 0.00 C ATOM 3 C ALA A 1 -5.323 23.793 4.499 1.00 0.00 C ATOM 4 O ALA A 1 -4.718 23.105 5.321 1.00 0.00 O ATOM 5 CB ALA A 1 -4.281 25.621 3.143 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.985 26.409 6.154 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.058 24.987 6.190 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.515 26.332 5.308 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.038 25.796 4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.818 25.251 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.156 26.701 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.302 25.145 3.195 1.00 0.00 H new ATOM 13 N PRO A 2 -6.227 23.267 3.660 1.00 0.00 N ATOM 14 CA PRO A 2 -6.571 21.848 3.652 1.00 0.00 C ATOM 15 C PRO A 2 -5.626 21.019 2.787 1.00 0.00 C ATOM 16 O PRO A 2 -5.590 19.792 2.889 1.00 0.00 O ATOM 17 CB PRO A 2 -7.974 21.856 3.054 1.00 0.00 C ATOM 18 CG PRO A 2 -7.965 23.003 2.098 1.00 0.00 C ATOM 19 CD PRO A 2 -6.997 24.022 2.654 1.00 0.00 C ATOM 0 HA PRO A 2 -6.503 21.397 4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.194 20.917 2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.733 21.987 3.825 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.656 22.677 1.105 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.962 23.431 1.997 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.350 24.425 1.875 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.520 24.867 3.102 1.00 0.00 H new ATOM 27 N ASP A 3 -4.867 21.695 1.931 1.00 0.00 N ATOM 28 CA ASP A 3 -3.927 21.018 1.045 1.00 0.00 C ATOM 29 C ASP A 3 -3.291 19.818 1.737 1.00 0.00 C ATOM 30 O ASP A 3 -2.853 19.908 2.884 1.00 0.00 O ATOM 31 CB ASP A 3 -2.843 21.989 0.578 1.00 0.00 C ATOM 32 CG ASP A 3 -2.007 22.520 1.725 1.00 0.00 C ATOM 33 OD1 ASP A 3 -2.484 23.428 2.438 1.00 0.00 O ATOM 34 OD2 ASP A 3 -0.875 22.027 1.912 1.00 0.00 O ATOM 0 H ASP A 3 -4.884 22.710 1.832 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.480 20.659 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.193 21.486 -0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.309 22.824 0.055 1.00 0.00 H new ATOM 39 N VAL A 4 -3.248 18.692 1.031 1.00 0.00 N ATOM 40 CA VAL A 4 -2.670 17.469 1.575 1.00 0.00 C ATOM 41 C VAL A 4 -2.048 16.616 0.474 1.00 0.00 C ATOM 42 O VAL A 4 -2.645 16.419 -0.585 1.00 0.00 O ATOM 43 CB VAL A 4 -3.731 16.635 2.319 1.00 0.00 C ATOM 44 CG1 VAL A 4 -5.043 16.632 1.550 1.00 0.00 C ATOM 45 CG2 VAL A 4 -3.236 15.213 2.545 1.00 0.00 C ATOM 0 H VAL A 4 -3.607 18.602 0.080 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.893 17.769 2.278 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.906 17.093 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.780 16.038 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -5.406 17.654 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.884 16.201 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.000 14.641 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.029 14.743 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.324 15.236 3.142 1.00 0.00 H new ATOM 55 N GLN A 5 -0.847 16.110 0.732 1.00 0.00 N ATOM 56 CA GLN A 5 -0.146 15.276 -0.237 1.00 0.00 C ATOM 57 C GLN A 5 1.252 14.917 0.259 1.00 0.00 C ATOM 58 O GLN A 5 2.252 15.403 -0.268 1.00 0.00 O ATOM 59 CB GLN A 5 -0.054 15.993 -1.585 1.00 0.00 C ATOM 60 CG GLN A 5 0.489 17.409 -1.482 1.00 0.00 C ATOM 61 CD GLN A 5 1.958 17.500 -1.850 1.00 0.00 C ATOM 62 OE1 GLN A 5 2.559 16.526 -2.302 1.00 0.00 O ATOM 63 NE2 GLN A 5 2.544 18.676 -1.655 1.00 0.00 N ATOM 0 H GLN A 5 -0.339 16.263 1.603 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.713 14.354 -0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.585 15.415 -2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.044 16.024 -2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.087 18.063 -2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.350 17.774 -0.464 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.007 19.457 -1.278 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.531 18.798 -1.882 1.00 0.00 H new ATOM 72 N ASP A 6 1.313 14.058 1.271 1.00 0.00 N ATOM 73 CA ASP A 6 2.588 13.626 1.834 1.00 0.00 C ATOM 74 C ASP A 6 2.420 12.322 2.608 1.00 0.00 C ATOM 75 O ASP A 6 2.404 12.318 3.839 1.00 0.00 O ATOM 76 CB ASP A 6 3.165 14.705 2.753 1.00 0.00 C ATOM 77 CG ASP A 6 2.087 15.551 3.402 1.00 0.00 C ATOM 78 OD1 ASP A 6 1.256 16.121 2.665 1.00 0.00 O ATOM 79 OD2 ASP A 6 2.075 15.643 4.648 1.00 0.00 O ATOM 0 H ASP A 6 0.494 13.647 1.719 1.00 0.00 H new ATOM 0 HA ASP A 6 3.281 13.459 1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.768 14.233 3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.831 15.349 2.179 1.00 0.00 H new ATOM 84 N CYS A 7 2.289 11.217 1.879 1.00 0.00 N ATOM 85 CA CYS A 7 2.118 9.909 2.503 1.00 0.00 C ATOM 86 C CYS A 7 1.262 10.022 3.761 1.00 0.00 C ATOM 87 O CYS A 7 1.776 9.993 4.879 1.00 0.00 O ATOM 88 CB CYS A 7 3.480 9.302 2.849 1.00 0.00 C ATOM 89 SG CYS A 7 3.549 7.485 2.708 1.00 0.00 S ATOM 0 H CYS A 7 2.298 11.201 0.859 1.00 0.00 H new ATOM 0 HA CYS A 7 1.610 9.256 1.794 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.235 9.735 2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.743 9.586 3.868 1.00 0.00 H new ATOM 94 N PRO A 8 -0.061 10.160 3.587 1.00 0.00 N ATOM 95 CA PRO A 8 -1.005 10.287 4.704 1.00 0.00 C ATOM 96 C PRO A 8 -1.043 9.041 5.582 1.00 0.00 C ATOM 97 O PRO A 8 -2.112 8.488 5.839 1.00 0.00 O ATOM 98 CB PRO A 8 -2.363 10.489 4.016 1.00 0.00 C ATOM 99 CG PRO A 8 -2.040 10.882 2.614 1.00 0.00 C ATOM 100 CD PRO A 8 -0.740 10.209 2.286 1.00 0.00 C ATOM 0 HA PRO A 8 -0.724 11.101 5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.956 9.575 4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.946 11.262 4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.827 10.566 1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.953 11.965 2.522 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.894 9.212 1.872 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.166 10.774 1.551 1.00 0.00 H new ATOM 108 N GLU A 9 0.127 8.605 6.041 1.00 0.00 N ATOM 109 CA GLU A 9 0.226 7.424 6.890 1.00 0.00 C ATOM 110 C GLU A 9 -0.462 6.226 6.242 1.00 0.00 C ATOM 111 O GLU A 9 -1.631 6.295 5.864 1.00 0.00 O ATOM 112 CB GLU A 9 -0.387 7.704 8.264 1.00 0.00 C ATOM 113 CG GLU A 9 0.010 6.692 9.326 1.00 0.00 C ATOM 114 CD GLU A 9 -1.165 6.253 10.177 1.00 0.00 C ATOM 115 OE1 GLU A 9 -2.038 7.098 10.465 1.00 0.00 O ATOM 116 OE2 GLU A 9 -1.211 5.064 10.557 1.00 0.00 O ATOM 0 H GLU A 9 1.020 9.053 5.838 1.00 0.00 H new ATOM 0 HA GLU A 9 1.282 7.185 7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.085 8.699 8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.473 7.715 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.452 5.820 8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.777 7.125 9.967 1.00 0.00 H new ATOM 123 N CYS A 10 0.274 5.130 6.114 1.00 0.00 N ATOM 124 CA CYS A 10 -0.257 3.914 5.509 1.00 0.00 C ATOM 125 C CYS A 10 -1.742 3.740 5.828 1.00 0.00 C ATOM 126 O CYS A 10 -2.144 3.746 6.991 1.00 0.00 O ATOM 127 CB CYS A 10 0.539 2.698 5.991 1.00 0.00 C ATOM 128 SG CYS A 10 -0.437 1.166 6.135 1.00 0.00 S ATOM 0 H CYS A 10 1.244 5.057 6.422 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.156 3.999 4.427 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.365 2.524 5.302 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.977 2.928 6.962 1.00 0.00 H new ATOM 133 N THR A 11 -2.549 3.578 4.781 1.00 0.00 N ATOM 134 CA THR A 11 -3.989 3.393 4.932 1.00 0.00 C ATOM 135 C THR A 11 -4.644 3.256 3.569 1.00 0.00 C ATOM 136 O THR A 11 -3.977 2.939 2.588 1.00 0.00 O ATOM 137 CB THR A 11 -4.616 4.562 5.694 1.00 0.00 C ATOM 138 OG1 THR A 11 -6.011 4.366 5.846 1.00 0.00 O ATOM 139 CG2 THR A 11 -4.412 5.906 5.022 1.00 0.00 C ATOM 0 H THR A 11 -2.226 3.571 3.813 1.00 0.00 H new ATOM 0 HA THR A 11 -4.155 2.481 5.505 1.00 0.00 H new ATOM 0 HB THR A 11 -4.107 4.581 6.658 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.189 3.423 6.045 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.883 6.687 5.619 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.345 6.111 4.934 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.861 5.888 4.029 1.00 0.00 H new ATOM 147 N LEU A 12 -5.947 3.499 3.509 1.00 0.00 N ATOM 148 CA LEU A 12 -6.678 3.402 2.252 1.00 0.00 C ATOM 149 C LEU A 12 -7.082 4.773 1.760 1.00 0.00 C ATOM 150 O LEU A 12 -7.515 5.623 2.538 1.00 0.00 O ATOM 151 CB LEU A 12 -7.934 2.553 2.412 1.00 0.00 C ATOM 152 CG LEU A 12 -7.711 1.047 2.446 1.00 0.00 C ATOM 153 CD1 LEU A 12 -6.380 0.728 3.092 1.00 0.00 C ATOM 154 CD2 LEU A 12 -8.856 0.389 3.197 1.00 0.00 C ATOM 0 H LEU A 12 -6.517 3.764 4.312 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.013 2.932 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.436 2.849 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.613 2.783 1.591 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.688 0.656 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.234 -0.352 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.577 1.194 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.369 1.112 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.701 -0.690 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.893 0.776 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.796 0.608 2.691 1.00 0.00 H new ATOM 166 N GLN A 13 -6.965 4.979 0.461 1.00 0.00 N ATOM 167 CA GLN A 13 -7.349 6.250 -0.123 1.00 0.00 C ATOM 168 C GLN A 13 -8.675 6.130 -0.811 1.00 0.00 C ATOM 169 O GLN A 13 -8.849 6.516 -1.966 1.00 0.00 O ATOM 170 CB GLN A 13 -6.312 6.749 -1.081 1.00 0.00 C ATOM 171 CG GLN A 13 -5.363 7.714 -0.419 1.00 0.00 C ATOM 172 CD GLN A 13 -5.640 9.161 -0.769 1.00 0.00 C ATOM 173 OE1 GLN A 13 -6.289 9.460 -1.772 1.00 0.00 O ATOM 174 NE2 GLN A 13 -5.146 10.068 0.066 1.00 0.00 N ATOM 0 H GLN A 13 -6.611 4.291 -0.203 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.433 6.975 0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.752 5.905 -1.483 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.800 7.238 -1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.426 7.590 0.662 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.342 7.466 -0.710 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.614 9.772 0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.298 11.061 -0.111 1.00 0.00 H new ATOM 183 N GLU A 14 -9.582 5.562 -0.067 1.00 0.00 N ATOM 184 CA GLU A 14 -10.945 5.313 -0.523 1.00 0.00 C ATOM 185 C GLU A 14 -11.164 5.887 -1.905 1.00 0.00 C ATOM 186 O GLU A 14 -11.017 7.086 -2.142 1.00 0.00 O ATOM 187 CB GLU A 14 -11.985 5.869 0.442 1.00 0.00 C ATOM 188 CG GLU A 14 -13.149 4.916 0.687 1.00 0.00 C ATOM 189 CD GLU A 14 -13.032 4.180 2.007 1.00 0.00 C ATOM 190 OE1 GLU A 14 -12.129 4.520 2.799 1.00 0.00 O ATOM 191 OE2 GLU A 14 -13.846 3.264 2.248 1.00 0.00 O ATOM 0 H GLU A 14 -9.406 5.250 0.888 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.072 4.231 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.504 6.096 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.371 6.809 0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.083 5.477 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.198 4.191 -0.126 1.00 0.00 H new ATOM 198 N ASN A 15 -11.491 4.999 -2.808 1.00 0.00 N ATOM 199 CA ASN A 15 -11.712 5.341 -4.195 1.00 0.00 C ATOM 200 C ASN A 15 -12.968 6.169 -4.405 1.00 0.00 C ATOM 201 O ASN A 15 -14.083 5.649 -4.384 1.00 0.00 O ATOM 202 CB ASN A 15 -11.785 4.075 -5.030 1.00 0.00 C ATOM 203 CG ASN A 15 -10.859 4.119 -6.221 1.00 0.00 C ATOM 204 OD1 ASN A 15 -11.099 4.839 -7.190 1.00 0.00 O ATOM 205 ND2 ASN A 15 -9.790 3.346 -6.148 1.00 0.00 N ATOM 0 H ASN A 15 -11.613 4.008 -2.602 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.869 5.955 -4.512 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.532 3.217 -4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.809 3.928 -5.374 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.120 3.329 -6.917 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.635 2.767 -5.323 1.00 0.00 H new ATOM 212 N PRO A 16 -12.799 7.470 -4.677 1.00 0.00 N ATOM 213 CA PRO A 16 -13.907 8.361 -4.962 1.00 0.00 C ATOM 214 C PRO A 16 -14.316 8.195 -6.414 1.00 0.00 C ATOM 215 O PRO A 16 -15.122 8.950 -6.958 1.00 0.00 O ATOM 216 CB PRO A 16 -13.337 9.763 -4.707 1.00 0.00 C ATOM 217 CG PRO A 16 -11.860 9.593 -4.485 1.00 0.00 C ATOM 218 CD PRO A 16 -11.514 8.159 -4.794 1.00 0.00 C ATOM 0 HA PRO A 16 -14.792 8.167 -4.355 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.528 10.419 -5.556 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.809 10.221 -3.838 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.296 10.270 -5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.597 9.837 -3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.091 8.054 -5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.780 7.762 -4.093 1.00 0.00 H new ATOM 226 N PHE A 17 -13.718 7.179 -7.024 1.00 0.00 N ATOM 227 CA PHE A 17 -13.944 6.835 -8.413 1.00 0.00 C ATOM 228 C PHE A 17 -14.876 5.641 -8.529 1.00 0.00 C ATOM 229 O PHE A 17 -15.962 5.724 -9.103 1.00 0.00 O ATOM 230 CB PHE A 17 -12.606 6.478 -9.062 1.00 0.00 C ATOM 231 CG PHE A 17 -12.574 6.751 -10.532 1.00 0.00 C ATOM 232 CD1 PHE A 17 -13.750 6.816 -11.256 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.372 6.951 -11.185 1.00 0.00 C ATOM 234 CE1 PHE A 17 -13.730 7.079 -12.612 1.00 0.00 C ATOM 235 CE2 PHE A 17 -11.342 7.212 -12.543 1.00 0.00 C ATOM 236 CZ PHE A 17 -12.524 7.277 -13.257 1.00 0.00 C ATOM 0 H PHE A 17 -13.053 6.564 -6.556 1.00 0.00 H new ATOM 0 HA PHE A 17 -14.400 7.689 -8.913 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.811 7.044 -8.576 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.396 5.422 -8.890 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -14.694 6.659 -10.756 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.447 6.903 -10.629 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -14.655 7.130 -13.167 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.398 7.365 -13.044 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.505 7.482 -14.317 1.00 0.00 H new ATOM 246 N PHE A 18 -14.415 4.526 -7.986 1.00 0.00 N ATOM 247 CA PHE A 18 -15.154 3.275 -8.016 1.00 0.00 C ATOM 248 C PHE A 18 -16.243 3.246 -6.946 1.00 0.00 C ATOM 249 O PHE A 18 -16.958 2.255 -6.796 1.00 0.00 O ATOM 250 CB PHE A 18 -14.171 2.126 -7.811 1.00 0.00 C ATOM 251 CG PHE A 18 -12.829 2.381 -8.441 1.00 0.00 C ATOM 252 CD1 PHE A 18 -12.723 3.215 -9.538 1.00 0.00 C ATOM 253 CD2 PHE A 18 -11.677 1.799 -7.935 1.00 0.00 C ATOM 254 CE1 PHE A 18 -11.497 3.466 -10.125 1.00 0.00 C ATOM 255 CE2 PHE A 18 -10.446 2.045 -8.519 1.00 0.00 C ATOM 256 CZ PHE A 18 -10.357 2.880 -9.614 1.00 0.00 C ATOM 0 H PHE A 18 -13.515 4.463 -7.511 1.00 0.00 H new ATOM 0 HA PHE A 18 -15.650 3.175 -8.981 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -14.038 1.955 -6.743 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.595 1.213 -8.229 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -13.611 3.677 -9.943 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.740 1.147 -7.076 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.431 4.120 -10.982 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.556 1.584 -8.118 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.397 3.074 -10.070 1.00 0.00 H new ATOM 266 N SER A 19 -16.358 4.340 -6.206 1.00 0.00 N ATOM 267 CA SER A 19 -17.347 4.459 -5.149 1.00 0.00 C ATOM 268 C SER A 19 -18.662 3.806 -5.546 1.00 0.00 C ATOM 269 O SER A 19 -19.295 4.188 -6.531 1.00 0.00 O ATOM 270 CB SER A 19 -17.580 5.930 -4.803 1.00 0.00 C ATOM 271 OG SER A 19 -18.400 6.559 -5.774 1.00 0.00 O ATOM 0 H SER A 19 -15.770 5.165 -6.322 1.00 0.00 H new ATOM 0 HA SER A 19 -16.960 3.940 -4.272 1.00 0.00 H new ATOM 0 HB2 SER A 19 -18.049 6.006 -3.822 1.00 0.00 H new ATOM 0 HB3 SER A 19 -16.623 6.448 -4.740 1.00 0.00 H new ATOM 0 HG SER A 19 -18.754 5.884 -6.390 1.00 0.00 H new ATOM 277 N GLN A 20 -19.065 2.825 -4.757 1.00 0.00 N ATOM 278 CA GLN A 20 -20.310 2.104 -4.992 1.00 0.00 C ATOM 279 C GLN A 20 -21.367 2.530 -3.979 1.00 0.00 C ATOM 280 O GLN A 20 -21.069 3.248 -3.026 1.00 0.00 O ATOM 281 CB GLN A 20 -20.078 0.593 -4.902 1.00 0.00 C ATOM 282 CG GLN A 20 -19.971 0.073 -3.477 1.00 0.00 C ATOM 283 CD GLN A 20 -21.044 -0.950 -3.149 1.00 0.00 C ATOM 284 OE1 GLN A 20 -21.855 -1.308 -4.001 1.00 0.00 O ATOM 285 NE2 GLN A 20 -21.053 -1.424 -1.908 1.00 0.00 N ATOM 0 H GLN A 20 -18.545 2.505 -3.940 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.664 2.345 -5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -20.896 0.078 -5.406 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -19.164 0.342 -5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -18.989 -0.376 -3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -20.046 0.909 -2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.361 -1.099 -1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.752 -2.113 -1.630 1.00 0.00 H new ATOM 294 N PRO A 21 -22.621 2.096 -4.173 1.00 0.00 N ATOM 295 CA PRO A 21 -23.722 2.443 -3.268 1.00 0.00 C ATOM 296 C PRO A 21 -23.481 1.943 -1.847 1.00 0.00 C ATOM 297 O PRO A 21 -24.189 1.063 -1.359 1.00 0.00 O ATOM 298 CB PRO A 21 -24.938 1.740 -3.884 1.00 0.00 C ATOM 299 CG PRO A 21 -24.552 1.467 -5.298 1.00 0.00 C ATOM 300 CD PRO A 21 -23.067 1.243 -5.284 1.00 0.00 C ATOM 0 HA PRO A 21 -23.844 3.522 -3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -25.171 0.817 -3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -25.826 2.370 -3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -25.075 0.592 -5.684 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -24.814 2.305 -5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -22.817 0.195 -5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -22.605 1.533 -6.228 1.00 0.00 H new ATOM 308 N GLY A 22 -22.477 2.514 -1.189 1.00 0.00 N ATOM 309 CA GLY A 22 -22.159 2.118 0.171 1.00 0.00 C ATOM 310 C GLY A 22 -20.696 1.760 0.347 1.00 0.00 C ATOM 311 O GLY A 22 -20.317 1.148 1.346 1.00 0.00 O ATOM 0 H GLY A 22 -21.878 3.244 -1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.415 2.930 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -22.775 1.263 0.450 1.00 0.00 H new ATOM 315 N ALA A 23 -19.873 2.143 -0.622 1.00 0.00 N ATOM 316 CA ALA A 23 -18.446 1.859 -0.564 1.00 0.00 C ATOM 317 C ALA A 23 -17.689 2.656 -1.597 1.00 0.00 C ATOM 318 O ALA A 23 -17.798 2.427 -2.801 1.00 0.00 O ATOM 319 CB ALA A 23 -18.190 0.369 -0.731 1.00 0.00 C ATOM 0 H ALA A 23 -20.170 2.650 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 23 -18.081 2.160 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.118 0.177 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -18.692 -0.178 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -18.577 0.039 -1.695 1.00 0.00 H new ATOM 325 N PRO A 24 -16.911 3.620 -1.111 1.00 0.00 N ATOM 326 CA PRO A 24 -16.112 4.503 -1.938 1.00 0.00 C ATOM 327 C PRO A 24 -14.784 3.875 -2.348 1.00 0.00 C ATOM 328 O PRO A 24 -13.777 4.567 -2.469 1.00 0.00 O ATOM 329 CB PRO A 24 -15.876 5.716 -1.027 1.00 0.00 C ATOM 330 CG PRO A 24 -16.569 5.422 0.265 1.00 0.00 C ATOM 331 CD PRO A 24 -16.756 3.942 0.306 1.00 0.00 C ATOM 0 HA PRO A 24 -16.609 4.745 -2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.810 5.878 -0.867 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.272 6.624 -1.481 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.975 5.763 1.113 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.528 5.938 0.319 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.900 3.434 0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.632 3.657 0.888 1.00 0.00 H new ATOM 339 N ILE A 25 -14.800 2.563 -2.567 1.00 0.00 N ATOM 340 CA ILE A 25 -13.616 1.824 -2.967 1.00 0.00 C ATOM 341 C ILE A 25 -12.347 2.403 -2.369 1.00 0.00 C ATOM 342 O ILE A 25 -12.406 3.324 -1.566 1.00 0.00 O ATOM 343 CB ILE A 25 -13.518 1.724 -4.493 1.00 0.00 C ATOM 344 CG1 ILE A 25 -14.694 0.909 -4.986 1.00 0.00 C ATOM 345 CG2 ILE A 25 -12.230 1.039 -4.868 1.00 0.00 C ATOM 346 CD1 ILE A 25 -14.932 -0.289 -4.110 1.00 0.00 C ATOM 0 H ILE A 25 -15.636 1.986 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.719 0.815 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.533 2.717 -4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -15.588 1.532 -5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -14.510 0.583 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.159 0.967 -5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.387 1.615 -4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.211 0.038 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -15.783 -0.854 -4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.045 -0.923 -4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -15.140 0.040 -3.092 1.00 0.00 H new ATOM 358 N LEU A 26 -11.198 1.820 -2.700 1.00 0.00 N ATOM 359 CA LEU A 26 -9.946 2.264 -2.118 1.00 0.00 C ATOM 360 C LEU A 26 -8.736 1.894 -2.930 1.00 0.00 C ATOM 361 O LEU A 26 -8.807 1.574 -4.115 1.00 0.00 O ATOM 362 CB LEU A 26 -9.806 1.610 -0.770 1.00 0.00 C ATOM 363 CG LEU A 26 -11.069 0.919 -0.317 1.00 0.00 C ATOM 364 CD1 LEU A 26 -10.741 -0.243 0.590 1.00 0.00 C ATOM 365 CD2 LEU A 26 -12.015 1.884 0.380 1.00 0.00 C ATOM 0 H LEU A 26 -11.113 1.048 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.984 3.352 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.994 0.884 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.526 2.364 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.575 0.541 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.664 -0.729 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.119 -0.959 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.203 0.120 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.913 1.351 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.522 2.308 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.289 2.685 -0.307 1.00 0.00 H new ATOM 377 N GLN A 27 -7.622 1.937 -2.228 1.00 0.00 N ATOM 378 CA GLN A 27 -6.325 1.600 -2.793 1.00 0.00 C ATOM 379 C GLN A 27 -5.210 1.975 -1.827 1.00 0.00 C ATOM 380 O GLN A 27 -4.451 2.915 -2.061 1.00 0.00 O ATOM 381 CB GLN A 27 -6.135 2.296 -4.137 1.00 0.00 C ATOM 382 CG GLN A 27 -4.815 1.970 -4.816 1.00 0.00 C ATOM 383 CD GLN A 27 -3.905 3.176 -4.926 1.00 0.00 C ATOM 384 OE1 GLN A 27 -2.938 3.309 -4.176 1.00 0.00 O ATOM 385 NE2 GLN A 27 -4.212 4.064 -5.864 1.00 0.00 N ATOM 0 H GLN A 27 -7.587 2.207 -1.245 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.285 0.523 -2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.953 2.015 -4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.201 3.374 -3.990 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.306 1.185 -4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.011 1.575 -5.813 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.023 3.913 -6.463 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.637 4.897 -5.985 1.00 0.00 H new ATOM 394 N CYS A 28 -5.143 1.225 -0.732 1.00 0.00 N ATOM 395 CA CYS A 28 -4.152 1.441 0.318 1.00 0.00 C ATOM 396 C CYS A 28 -3.098 2.465 -0.096 1.00 0.00 C ATOM 397 O CYS A 28 -2.265 2.194 -0.962 1.00 0.00 O ATOM 398 CB CYS A 28 -3.452 0.132 0.690 1.00 0.00 C ATOM 399 SG CYS A 28 -3.164 -0.068 2.479 1.00 0.00 S ATOM 0 H CYS A 28 -5.776 0.447 -0.546 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.694 1.826 1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.053 -0.704 0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.495 0.082 0.170 1.00 0.00 H new ATOM 404 N MET A 29 -3.130 3.633 0.531 1.00 0.00 N ATOM 405 CA MET A 29 -2.166 4.684 0.229 1.00 0.00 C ATOM 406 C MET A 29 -1.492 5.180 1.505 1.00 0.00 C ATOM 407 O MET A 29 -2.154 5.427 2.513 1.00 0.00 O ATOM 408 CB MET A 29 -2.852 5.842 -0.490 1.00 0.00 C ATOM 409 CG MET A 29 -3.011 5.618 -1.985 1.00 0.00 C ATOM 410 SD MET A 29 -2.810 7.133 -2.940 1.00 0.00 S ATOM 411 CE MET A 29 -4.006 6.867 -4.246 1.00 0.00 C ATOM 0 H MET A 29 -3.811 3.877 1.250 1.00 0.00 H new ATOM 0 HA MET A 29 -1.400 4.269 -0.426 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.835 6.002 -0.048 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.277 6.753 -0.326 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.278 4.883 -2.318 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.997 5.197 -2.182 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.490 6.802 -5.204 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.546 5.939 -4.061 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.711 7.698 -4.269 1.00 0.00 H new ATOM 421 N GLY A 30 -0.171 5.318 1.453 1.00 0.00 N ATOM 422 CA GLY A 30 0.574 5.777 2.611 1.00 0.00 C ATOM 423 C GLY A 30 1.739 4.867 2.941 1.00 0.00 C ATOM 424 O GLY A 30 1.974 3.875 2.251 1.00 0.00 O ATOM 0 H GLY A 30 0.397 5.120 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.944 6.785 2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.094 5.835 3.471 1.00 0.00 H new ATOM 428 N CYS A 31 2.472 5.203 3.996 1.00 0.00 N ATOM 429 CA CYS A 31 3.620 4.404 4.406 1.00 0.00 C ATOM 430 C CYS A 31 3.587 4.120 5.904 1.00 0.00 C ATOM 431 O CYS A 31 2.721 4.618 6.625 1.00 0.00 O ATOM 432 CB CYS A 31 4.923 5.118 4.042 1.00 0.00 C ATOM 433 SG CYS A 31 4.844 6.936 4.173 1.00 0.00 S ATOM 0 H CYS A 31 2.293 6.019 4.581 1.00 0.00 H new ATOM 0 HA CYS A 31 3.571 3.453 3.875 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.718 4.753 4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.198 4.850 3.022 1.00 0.00 H new ATOM 438 N CYS A 32 4.542 3.316 6.363 1.00 0.00 N ATOM 439 CA CYS A 32 4.637 2.958 7.773 1.00 0.00 C ATOM 440 C CYS A 32 6.035 3.251 8.308 1.00 0.00 C ATOM 441 O CYS A 32 7.032 3.004 7.629 1.00 0.00 O ATOM 442 CB CYS A 32 4.300 1.478 7.967 1.00 0.00 C ATOM 443 SG CYS A 32 2.958 0.876 6.892 1.00 0.00 S ATOM 0 H CYS A 32 5.264 2.899 5.775 1.00 0.00 H new ATOM 0 HA CYS A 32 3.919 3.560 8.330 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.195 0.885 7.780 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.020 1.313 9.007 1.00 0.00 H new ATOM 448 N PHE A 33 6.104 3.780 9.525 1.00 0.00 N ATOM 449 CA PHE A 33 7.385 4.107 10.142 1.00 0.00 C ATOM 450 C PHE A 33 7.641 3.234 11.367 1.00 0.00 C ATOM 451 O PHE A 33 8.179 2.134 11.248 1.00 0.00 O ATOM 452 CB PHE A 33 7.424 5.588 10.529 1.00 0.00 C ATOM 453 CG PHE A 33 6.072 6.240 10.535 1.00 0.00 C ATOM 454 CD1 PHE A 33 5.483 6.650 9.349 1.00 0.00 C ATOM 455 CD2 PHE A 33 5.389 6.442 11.723 1.00 0.00 C ATOM 456 CE1 PHE A 33 4.238 7.248 9.349 1.00 0.00 C ATOM 457 CE2 PHE A 33 4.143 7.040 11.729 1.00 0.00 C ATOM 458 CZ PHE A 33 3.566 7.443 10.540 1.00 0.00 C ATOM 0 H PHE A 33 5.290 3.991 10.103 1.00 0.00 H new ATOM 0 HA PHE A 33 8.172 3.910 9.414 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.870 5.685 11.519 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.073 6.120 9.833 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.003 6.500 8.415 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.835 6.129 12.655 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.790 7.563 8.418 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.621 7.192 12.662 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.592 7.909 10.542 1.00 0.00 H new ATOM 468 N SER A 34 7.253 3.733 12.540 1.00 0.00 N ATOM 469 CA SER A 34 7.437 3.004 13.796 1.00 0.00 C ATOM 470 C SER A 34 8.461 1.882 13.647 1.00 0.00 C ATOM 471 O SER A 34 8.167 0.718 13.918 1.00 0.00 O ATOM 472 CB SER A 34 6.103 2.430 14.272 1.00 0.00 C ATOM 473 OG SER A 34 5.896 1.127 13.755 1.00 0.00 O ATOM 0 H SER A 34 6.807 4.644 12.647 1.00 0.00 H new ATOM 0 HA SER A 34 7.814 3.709 14.537 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.084 2.400 15.361 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.289 3.083 13.957 1.00 0.00 H new ATOM 0 HG SER A 34 6.554 0.513 14.142 1.00 0.00 H new ATOM 479 N ARG A 35 9.665 2.240 13.212 1.00 0.00 N ATOM 480 CA ARG A 35 10.730 1.262 13.025 1.00 0.00 C ATOM 481 C ARG A 35 12.102 1.905 13.195 1.00 0.00 C ATOM 482 O ARG A 35 12.302 3.070 12.849 1.00 0.00 O ATOM 483 CB ARG A 35 10.622 0.623 11.641 1.00 0.00 C ATOM 484 CG ARG A 35 11.853 -0.173 11.239 1.00 0.00 C ATOM 485 CD ARG A 35 11.927 -0.369 9.733 1.00 0.00 C ATOM 486 NE ARG A 35 10.715 0.085 9.057 1.00 0.00 N ATOM 487 CZ ARG A 35 10.545 1.321 8.598 1.00 0.00 C ATOM 488 NH1 ARG A 35 11.497 2.230 8.764 1.00 0.00 N ATOM 489 NH2 ARG A 35 9.419 1.651 7.979 1.00 0.00 N ATOM 0 H ARG A 35 9.927 3.199 12.983 1.00 0.00 H new ATOM 0 HA ARG A 35 10.617 0.491 13.787 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.752 -0.034 11.620 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.448 1.405 10.902 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.749 0.343 11.584 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.835 -1.145 11.732 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.786 0.175 9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.090 -1.424 9.513 1.00 0.00 H new ATOM 0 HE ARG A 35 9.956 -0.584 8.930 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.362 1.981 9.245 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.364 3.178 8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.683 0.956 7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.290 2.600 7.627 1.00 0.00 H new ATOM 503 N ALA A 36 13.045 1.136 13.728 1.00 0.00 N ATOM 504 CA ALA A 36 14.400 1.627 13.943 1.00 0.00 C ATOM 505 C ALA A 36 14.433 2.694 15.030 1.00 0.00 C ATOM 506 O ALA A 36 13.391 3.149 15.501 1.00 0.00 O ATOM 507 CB ALA A 36 14.970 2.180 12.647 1.00 0.00 C ATOM 0 H ALA A 36 12.895 0.170 14.019 1.00 0.00 H new ATOM 0 HA ALA A 36 15.014 0.789 14.273 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.983 2.544 12.821 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.992 1.392 11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.345 3.001 12.296 1.00 0.00 H new ATOM 513 N TYR A 37 15.639 3.091 15.421 1.00 0.00 N ATOM 514 CA TYR A 37 15.817 4.109 16.450 1.00 0.00 C ATOM 515 C TYR A 37 15.813 5.503 15.832 1.00 0.00 C ATOM 516 O TYR A 37 16.133 5.670 14.655 1.00 0.00 O ATOM 517 CB TYR A 37 17.134 3.878 17.195 1.00 0.00 C ATOM 518 CG TYR A 37 16.961 3.346 18.601 1.00 0.00 C ATOM 519 CD1 TYR A 37 15.907 2.499 18.923 1.00 0.00 C ATOM 520 CD2 TYR A 37 17.856 3.690 19.607 1.00 0.00 C ATOM 521 CE1 TYR A 37 15.751 2.012 20.207 1.00 0.00 C ATOM 522 CE2 TYR A 37 17.706 3.206 20.893 1.00 0.00 C ATOM 523 CZ TYR A 37 16.652 2.368 21.187 1.00 0.00 C ATOM 524 OH TYR A 37 16.499 1.884 22.466 1.00 0.00 O ATOM 0 H TYR A 37 16.510 2.722 15.040 1.00 0.00 H new ATOM 0 HA TYR A 37 14.988 4.035 17.154 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.744 3.177 16.625 1.00 0.00 H new ATOM 0 HB3 TYR A 37 17.685 4.818 17.238 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.199 2.217 18.158 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.683 4.347 19.380 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.926 1.355 20.441 1.00 0.00 H new ATOM 0 HE2 TYR A 37 18.411 3.483 21.663 1.00 0.00 H new ATOM 0 HH TYR A 37 17.218 2.229 23.035 1.00 0.00 H new ATOM 534 N PRO A 38 15.455 6.525 16.623 1.00 0.00 N ATOM 535 CA PRO A 38 15.415 7.911 16.153 1.00 0.00 C ATOM 536 C PRO A 38 16.738 8.337 15.529 1.00 0.00 C ATOM 537 O PRO A 38 17.750 8.463 16.218 1.00 0.00 O ATOM 538 CB PRO A 38 15.134 8.728 17.422 1.00 0.00 C ATOM 539 CG PRO A 38 15.356 7.789 18.563 1.00 0.00 C ATOM 540 CD PRO A 38 15.067 6.415 18.034 1.00 0.00 C ATOM 0 HA PRO A 38 14.664 8.053 15.376 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.799 9.589 17.489 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.114 9.112 17.423 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.380 7.858 18.931 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.700 8.030 19.400 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.644 5.651 18.554 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.015 6.151 18.145 1.00 0.00 H new ATOM 548 N THR A 39 16.724 8.552 14.219 1.00 0.00 N ATOM 549 CA THR A 39 17.926 8.958 13.498 1.00 0.00 C ATOM 550 C THR A 39 17.733 8.807 11.992 1.00 0.00 C ATOM 551 O THR A 39 17.331 7.748 11.510 1.00 0.00 O ATOM 552 CB THR A 39 19.127 8.126 13.952 1.00 0.00 C ATOM 553 OG1 THR A 39 18.704 6.981 14.672 1.00 0.00 O ATOM 554 CG2 THR A 39 20.089 8.891 14.834 1.00 0.00 C ATOM 0 H THR A 39 15.895 8.452 13.634 1.00 0.00 H new ATOM 0 HA THR A 39 18.114 10.008 13.722 1.00 0.00 H new ATOM 0 HB THR A 39 19.644 7.847 13.034 1.00 0.00 H new ATOM 0 HG1 THR A 39 18.679 7.188 15.630 1.00 0.00 H new ATOM 0 HG21 THR A 39 20.916 8.241 15.119 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.475 9.753 14.289 1.00 0.00 H new ATOM 0 HG23 THR A 39 19.569 9.231 15.730 1.00 0.00 H new ATOM 562 N PRO A 40 18.023 9.871 11.229 1.00 0.00 N ATOM 563 CA PRO A 40 17.886 9.863 9.771 1.00 0.00 C ATOM 564 C PRO A 40 18.483 8.608 9.139 1.00 0.00 C ATOM 565 O PRO A 40 19.303 7.924 9.751 1.00 0.00 O ATOM 566 CB PRO A 40 18.666 11.105 9.345 1.00 0.00 C ATOM 567 CG PRO A 40 18.537 12.036 10.501 1.00 0.00 C ATOM 568 CD PRO A 40 18.510 11.169 11.732 1.00 0.00 C ATOM 0 HA PRO A 40 16.843 9.866 9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 40 19.710 10.868 9.140 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.253 11.541 8.435 1.00 0.00 H new ATOM 0 HG2 PRO A 40 19.373 12.735 10.534 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.627 12.631 10.423 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.499 11.080 12.182 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.848 11.577 12.496 1.00 0.00 H new ATOM 576 N LEU A 41 18.060 8.309 7.914 1.00 0.00 N ATOM 577 CA LEU A 41 18.546 7.133 7.201 1.00 0.00 C ATOM 578 C LEU A 41 19.388 7.529 5.991 1.00 0.00 C ATOM 579 O LEU A 41 19.833 8.671 5.879 1.00 0.00 O ATOM 580 CB LEU A 41 17.367 6.265 6.759 1.00 0.00 C ATOM 581 CG LEU A 41 16.734 6.659 5.423 1.00 0.00 C ATOM 582 CD1 LEU A 41 16.300 5.420 4.655 1.00 0.00 C ATOM 583 CD2 LEU A 41 15.554 7.591 5.648 1.00 0.00 C ATOM 0 H LEU A 41 17.381 8.866 7.395 1.00 0.00 H new ATOM 0 HA LEU A 41 19.179 6.562 7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 41 17.703 5.230 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 41 16.599 6.302 7.532 1.00 0.00 H new ATOM 0 HG LEU A 41 17.479 7.187 4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.852 5.718 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.167 4.788 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.569 4.865 5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 41 15.116 7.861 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.805 7.089 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 41 15.894 8.492 6.158 1.00 0.00 H new ATOM 595 N ARG A 42 19.602 6.576 5.087 1.00 0.00 N ATOM 596 CA ARG A 42 20.391 6.824 3.884 1.00 0.00 C ATOM 597 C ARG A 42 20.153 5.737 2.839 1.00 0.00 C ATOM 598 O ARG A 42 21.094 5.250 2.212 1.00 0.00 O ATOM 599 CB ARG A 42 21.881 6.894 4.230 1.00 0.00 C ATOM 600 CG ARG A 42 22.391 8.312 4.440 1.00 0.00 C ATOM 601 CD ARG A 42 23.546 8.636 3.506 1.00 0.00 C ATOM 602 NE ARG A 42 24.288 9.816 3.944 1.00 0.00 N ATOM 603 CZ ARG A 42 25.425 9.764 4.632 1.00 0.00 C ATOM 604 NH1 ARG A 42 25.948 8.594 4.977 1.00 0.00 N ATOM 605 NH2 ARG A 42 26.038 10.886 4.981 1.00 0.00 N ATOM 0 H ARG A 42 19.240 5.626 5.165 1.00 0.00 H new ATOM 0 HA ARG A 42 20.075 7.780 3.466 1.00 0.00 H new ATOM 0 HB2 ARG A 42 22.063 6.314 5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 42 22.454 6.425 3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 42 21.579 9.020 4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 42 22.713 8.434 5.474 1.00 0.00 H new ATOM 0 HD2 ARG A 42 24.221 7.782 3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 42 23.163 8.801 2.499 1.00 0.00 H new ATOM 0 HE ARG A 42 23.912 10.734 3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 42 25.478 7.728 4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 42 26.820 8.561 5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 42 25.638 11.788 4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 42 26.910 10.848 5.509 1.00 0.00 H new ATOM 619 N SER A 43 18.892 5.357 2.657 1.00 0.00 N ATOM 620 CA SER A 43 18.541 4.325 1.687 1.00 0.00 C ATOM 621 C SER A 43 17.201 4.629 1.019 1.00 0.00 C ATOM 622 O SER A 43 16.158 4.642 1.672 1.00 0.00 O ATOM 623 CB SER A 43 18.491 2.956 2.368 1.00 0.00 C ATOM 624 OG SER A 43 17.207 2.371 2.247 1.00 0.00 O ATOM 0 H SER A 43 18.099 5.746 3.166 1.00 0.00 H new ATOM 0 HA SER A 43 19.310 4.312 0.914 1.00 0.00 H new ATOM 0 HB2 SER A 43 19.237 2.298 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.748 3.062 3.422 1.00 0.00 H new ATOM 0 HG SER A 43 16.521 3.054 2.398 1.00 0.00 H new ATOM 630 N LYS A 44 17.240 4.872 -0.288 1.00 0.00 N ATOM 631 CA LYS A 44 16.032 5.174 -1.050 1.00 0.00 C ATOM 632 C LYS A 44 15.924 4.280 -2.282 1.00 0.00 C ATOM 633 O LYS A 44 14.951 4.356 -3.032 1.00 0.00 O ATOM 634 CB LYS A 44 16.025 6.645 -1.473 1.00 0.00 C ATOM 635 CG LYS A 44 14.647 7.287 -1.430 1.00 0.00 C ATOM 636 CD LYS A 44 13.993 7.117 -0.069 1.00 0.00 C ATOM 637 CE LYS A 44 12.679 7.877 0.014 1.00 0.00 C ATOM 638 NZ LYS A 44 11.572 7.020 0.518 1.00 0.00 N ATOM 0 H LYS A 44 18.096 4.866 -0.842 1.00 0.00 H new ATOM 0 HA LYS A 44 15.172 4.982 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.697 7.204 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.422 6.725 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.732 8.348 -1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.013 6.842 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.815 6.059 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.670 7.472 0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.799 8.738 0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.420 8.262 -0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.694 7.576 0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.440 6.211 -0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.807 6.673 1.470 1.00 0.00 H new ATOM 652 N LYS A 45 16.931 3.436 -2.485 1.00 0.00 N ATOM 653 CA LYS A 45 16.954 2.528 -3.626 1.00 0.00 C ATOM 654 C LYS A 45 16.786 3.291 -4.935 1.00 0.00 C ATOM 655 O LYS A 45 16.245 4.397 -4.959 1.00 0.00 O ATOM 656 CB LYS A 45 15.853 1.474 -3.494 1.00 0.00 C ATOM 657 CG LYS A 45 15.989 0.605 -2.254 1.00 0.00 C ATOM 658 CD LYS A 45 16.803 -0.646 -2.539 1.00 0.00 C ATOM 659 CE LYS A 45 15.915 -1.800 -2.979 1.00 0.00 C ATOM 660 NZ LYS A 45 15.055 -2.297 -1.868 1.00 0.00 N ATOM 0 H LYS A 45 17.743 3.362 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 45 17.924 2.030 -3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.884 1.973 -3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.864 0.836 -4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 45 16.465 1.177 -1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.999 0.323 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.538 -0.434 -3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.357 -0.932 -1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.286 -1.477 -3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.537 -2.615 -3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.756 -3.273 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.592 -2.276 -0.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.216 -1.689 -1.780 1.00 0.00 H new ATOM 674 N THR A 46 17.255 2.690 -6.023 1.00 0.00 N ATOM 675 CA THR A 46 17.161 3.305 -7.341 1.00 0.00 C ATOM 676 C THR A 46 16.952 2.240 -8.415 1.00 0.00 C ATOM 677 O THR A 46 16.235 1.265 -8.197 1.00 0.00 O ATOM 678 CB THR A 46 18.421 4.120 -7.637 1.00 0.00 C ATOM 679 OG1 THR A 46 19.543 3.271 -7.791 1.00 0.00 O ATOM 680 CG2 THR A 46 18.749 5.124 -6.554 1.00 0.00 C ATOM 0 H THR A 46 17.705 1.775 -6.017 1.00 0.00 H new ATOM 0 HA THR A 46 16.302 3.976 -7.349 1.00 0.00 H new ATOM 0 HB THR A 46 18.207 4.660 -8.559 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.091 3.303 -6.979 1.00 0.00 H new ATOM 0 HG21 THR A 46 19.653 5.669 -6.825 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.922 5.825 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 46 18.909 4.602 -5.610 1.00 0.00 H new ATOM 688 N MET A 47 17.577 2.427 -9.574 1.00 0.00 N ATOM 689 CA MET A 47 17.444 1.472 -10.670 1.00 0.00 C ATOM 690 C MET A 47 18.763 0.755 -10.944 1.00 0.00 C ATOM 691 O MET A 47 18.981 0.241 -12.041 1.00 0.00 O ATOM 692 CB MET A 47 16.963 2.182 -11.937 1.00 0.00 C ATOM 693 CG MET A 47 15.658 1.626 -12.487 1.00 0.00 C ATOM 694 SD MET A 47 15.859 0.001 -13.242 1.00 0.00 S ATOM 695 CE MET A 47 16.030 0.449 -14.968 1.00 0.00 C ATOM 0 H MET A 47 18.177 3.226 -9.778 1.00 0.00 H new ATOM 0 HA MET A 47 16.706 0.726 -10.374 1.00 0.00 H new ATOM 0 HB2 MET A 47 16.835 3.243 -11.723 1.00 0.00 H new ATOM 0 HB3 MET A 47 17.734 2.102 -12.703 1.00 0.00 H new ATOM 0 HG2 MET A 47 14.927 1.560 -11.681 1.00 0.00 H new ATOM 0 HG3 MET A 47 15.255 2.319 -13.226 1.00 0.00 H new ATOM 0 HE1 MET A 47 16.163 -0.452 -15.566 1.00 0.00 H new ATOM 0 HE2 MET A 47 15.134 0.975 -15.298 1.00 0.00 H new ATOM 0 HE3 MET A 47 16.898 1.097 -15.091 1.00 0.00 H new ATOM 705 N LEU A 48 19.637 0.714 -9.942 1.00 0.00 N ATOM 706 CA LEU A 48 20.928 0.048 -10.086 1.00 0.00 C ATOM 707 C LEU A 48 20.737 -1.453 -10.275 1.00 0.00 C ATOM 708 O LEU A 48 19.629 -1.967 -10.123 1.00 0.00 O ATOM 709 CB LEU A 48 21.807 0.313 -8.862 1.00 0.00 C ATOM 710 CG LEU A 48 22.167 1.780 -8.628 1.00 0.00 C ATOM 711 CD1 LEU A 48 23.290 1.898 -7.611 1.00 0.00 C ATOM 712 CD2 LEU A 48 22.555 2.448 -9.938 1.00 0.00 C ATOM 0 H LEU A 48 19.476 1.132 -9.026 1.00 0.00 H new ATOM 0 HA LEU A 48 21.424 0.452 -10.969 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.295 -0.065 -7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 48 22.729 -0.259 -8.965 1.00 0.00 H new ATOM 0 HG LEU A 48 21.291 2.291 -8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 48 23.533 2.949 -7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 48 22.973 1.457 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 48 24.171 1.372 -7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 48 22.808 3.492 -9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 48 23.417 1.936 -10.366 1.00 0.00 H new ATOM 0 HD23 LEU A 48 21.719 2.396 -10.635 1.00 0.00 H new ATOM 724 N VAL A 49 21.816 -2.154 -10.608 1.00 0.00 N ATOM 725 CA VAL A 49 21.744 -3.596 -10.813 1.00 0.00 C ATOM 726 C VAL A 49 20.885 -4.249 -9.739 1.00 0.00 C ATOM 727 O VAL A 49 21.265 -4.300 -8.570 1.00 0.00 O ATOM 728 CB VAL A 49 23.141 -4.247 -10.818 1.00 0.00 C ATOM 729 CG1 VAL A 49 24.145 -3.380 -10.074 1.00 0.00 C ATOM 730 CG2 VAL A 49 23.092 -5.648 -10.222 1.00 0.00 C ATOM 0 H VAL A 49 22.744 -1.751 -10.741 1.00 0.00 H new ATOM 0 HA VAL A 49 21.290 -3.756 -11.791 1.00 0.00 H new ATOM 0 HB VAL A 49 23.468 -4.332 -11.854 1.00 0.00 H new ATOM 0 HG11 VAL A 49 25.123 -3.860 -10.091 1.00 0.00 H new ATOM 0 HG12 VAL A 49 24.211 -2.405 -10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 49 23.821 -3.253 -9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 49 24.090 -6.085 -10.237 1.00 0.00 H new ATOM 0 HG22 VAL A 49 22.736 -5.594 -9.193 1.00 0.00 H new ATOM 0 HG23 VAL A 49 22.415 -6.269 -10.808 1.00 0.00 H new ATOM 740 N GLN A 50 19.726 -4.742 -10.148 1.00 0.00 N ATOM 741 CA GLN A 50 18.801 -5.391 -9.226 1.00 0.00 C ATOM 742 C GLN A 50 17.996 -6.472 -9.936 1.00 0.00 C ATOM 743 O GLN A 50 17.708 -6.364 -11.128 1.00 0.00 O ATOM 744 CB GLN A 50 17.858 -4.354 -8.608 1.00 0.00 C ATOM 745 CG GLN A 50 18.541 -3.421 -7.622 1.00 0.00 C ATOM 746 CD GLN A 50 18.438 -3.906 -6.190 1.00 0.00 C ATOM 747 OE1 GLN A 50 17.392 -3.781 -5.553 1.00 0.00 O ATOM 748 NE2 GLN A 50 19.528 -4.463 -5.675 1.00 0.00 N ATOM 0 H GLN A 50 19.401 -4.706 -11.114 1.00 0.00 H new ATOM 0 HA GLN A 50 19.383 -5.861 -8.433 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.410 -3.761 -9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 50 17.044 -4.872 -8.101 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.592 -3.320 -7.892 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.095 -2.429 -7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.374 -4.546 -6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 50 19.520 -4.808 -4.715 1.00 0.00 H new ATOM 757 N LYS A 51 17.634 -7.516 -9.199 1.00 0.00 N ATOM 758 CA LYS A 51 16.862 -8.614 -9.766 1.00 0.00 C ATOM 759 C LYS A 51 16.687 -9.742 -8.753 1.00 0.00 C ATOM 760 O LYS A 51 17.299 -10.804 -8.875 1.00 0.00 O ATOM 761 CB LYS A 51 17.541 -9.142 -11.030 1.00 0.00 C ATOM 762 CG LYS A 51 16.571 -9.420 -12.166 1.00 0.00 C ATOM 763 CD LYS A 51 15.569 -10.498 -11.790 1.00 0.00 C ATOM 764 CE LYS A 51 16.028 -11.870 -12.255 1.00 0.00 C ATOM 765 NZ LYS A 51 15.247 -12.964 -11.615 1.00 0.00 N ATOM 0 H LYS A 51 17.862 -7.625 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 51 15.874 -8.234 -10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.283 -8.417 -11.365 1.00 0.00 H new ATOM 0 HB3 LYS A 51 18.078 -10.059 -10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.041 -8.504 -12.426 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.125 -9.730 -13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.430 -10.506 -10.709 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.601 -10.267 -12.234 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.928 -11.938 -13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.086 -11.996 -12.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.591 -13.883 -11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.363 -12.915 -10.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.241 -12.859 -11.856 1.00 0.00 H new ATOM 779 N ASN A 52 15.846 -9.499 -7.753 1.00 0.00 N ATOM 780 CA ASN A 52 15.581 -10.485 -6.712 1.00 0.00 C ATOM 781 C ASN A 52 14.440 -10.020 -5.813 1.00 0.00 C ATOM 782 O ASN A 52 13.633 -9.178 -6.207 1.00 0.00 O ATOM 783 CB ASN A 52 16.839 -10.727 -5.876 1.00 0.00 C ATOM 784 CG ASN A 52 17.207 -9.527 -5.024 1.00 0.00 C ATOM 785 OD1 ASN A 52 16.535 -9.219 -4.040 1.00 0.00 O ATOM 786 ND2 ASN A 52 18.280 -8.840 -5.400 1.00 0.00 N ATOM 0 H ASN A 52 15.334 -8.624 -7.642 1.00 0.00 H new ATOM 0 HA ASN A 52 15.290 -11.420 -7.191 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.683 -11.592 -5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.671 -10.968 -6.538 1.00 0.00 H new ATOM 0 HD21 ASN A 52 18.575 -8.023 -4.866 1.00 0.00 H new ATOM 0 HD22 ASN A 52 18.809 -9.130 -6.223 1.00 0.00 H new ATOM 793 N VAL A 53 14.379 -10.567 -4.604 1.00 0.00 N ATOM 794 CA VAL A 53 13.336 -10.197 -3.655 1.00 0.00 C ATOM 795 C VAL A 53 13.938 -9.697 -2.348 1.00 0.00 C ATOM 796 O VAL A 53 15.131 -9.866 -2.096 1.00 0.00 O ATOM 797 CB VAL A 53 12.391 -11.375 -3.359 1.00 0.00 C ATOM 798 CG1 VAL A 53 11.125 -11.261 -4.194 1.00 0.00 C ATOM 799 CG2 VAL A 53 13.091 -12.702 -3.615 1.00 0.00 C ATOM 0 H VAL A 53 15.037 -11.266 -4.259 1.00 0.00 H new ATOM 0 HA VAL A 53 12.760 -9.396 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 53 12.111 -11.339 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.467 -12.101 -3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.615 -10.328 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.385 -11.272 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.406 -13.522 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 53 13.403 -12.754 -4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.966 -12.782 -2.970 1.00 0.00 H new ATOM 809 N THR A 54 13.105 -9.076 -1.520 1.00 0.00 N ATOM 810 CA THR A 54 13.554 -8.546 -0.239 1.00 0.00 C ATOM 811 C THR A 54 13.114 -9.449 0.909 1.00 0.00 C ATOM 812 O THR A 54 11.924 -9.708 1.086 1.00 0.00 O ATOM 813 CB THR A 54 13.006 -7.134 -0.032 1.00 0.00 C ATOM 814 OG1 THR A 54 12.446 -6.996 1.261 1.00 0.00 O ATOM 815 CG2 THR A 54 11.939 -6.757 -1.037 1.00 0.00 C ATOM 0 H THR A 54 12.115 -8.928 -1.714 1.00 0.00 H new ATOM 0 HA THR A 54 14.643 -8.509 -0.249 1.00 0.00 H new ATOM 0 HB THR A 54 13.860 -6.470 -0.163 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.808 -6.193 1.690 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.591 -5.744 -0.836 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.354 -6.805 -2.044 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.102 -7.450 -0.956 1.00 0.00 H new ATOM 823 N SER A 55 14.082 -9.926 1.686 1.00 0.00 N ATOM 824 CA SER A 55 13.790 -10.800 2.816 1.00 0.00 C ATOM 825 C SER A 55 12.969 -10.069 3.874 1.00 0.00 C ATOM 826 O SER A 55 13.521 -9.487 4.809 1.00 0.00 O ATOM 827 CB SER A 55 15.089 -11.322 3.435 1.00 0.00 C ATOM 828 OG SER A 55 15.639 -10.379 4.339 1.00 0.00 O ATOM 0 H SER A 55 15.073 -9.722 1.554 1.00 0.00 H new ATOM 0 HA SER A 55 13.206 -11.643 2.447 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.896 -12.260 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.810 -11.538 2.647 1.00 0.00 H new ATOM 0 HG SER A 55 14.972 -10.150 5.019 1.00 0.00 H new ATOM 834 N GLU A 56 11.649 -10.106 3.723 1.00 0.00 N ATOM 835 CA GLU A 56 10.752 -9.451 4.669 1.00 0.00 C ATOM 836 C GLU A 56 10.852 -7.932 4.562 1.00 0.00 C ATOM 837 O GLU A 56 11.936 -7.361 4.680 1.00 0.00 O ATOM 838 CB GLU A 56 11.076 -9.899 6.094 1.00 0.00 C ATOM 839 CG GLU A 56 10.194 -11.034 6.588 1.00 0.00 C ATOM 840 CD GLU A 56 10.971 -12.085 7.357 1.00 0.00 C ATOM 841 OE1 GLU A 56 11.596 -11.731 8.379 1.00 0.00 O ATOM 842 OE2 GLU A 56 10.951 -13.262 6.940 1.00 0.00 O ATOM 0 H GLU A 56 11.177 -10.582 2.955 1.00 0.00 H new ATOM 0 HA GLU A 56 9.730 -9.741 4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.119 -10.214 6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.970 -9.048 6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.410 -10.628 7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.701 -11.503 5.736 1.00 0.00 H new ATOM 849 N SER A 57 9.711 -7.283 4.341 1.00 0.00 N ATOM 850 CA SER A 57 9.665 -5.830 4.220 1.00 0.00 C ATOM 851 C SER A 57 8.271 -5.302 4.544 1.00 0.00 C ATOM 852 O SER A 57 7.271 -5.979 4.307 1.00 0.00 O ATOM 853 CB SER A 57 10.068 -5.400 2.808 1.00 0.00 C ATOM 854 OG SER A 57 9.006 -5.592 1.891 1.00 0.00 O ATOM 0 H SER A 57 8.806 -7.742 4.242 1.00 0.00 H new ATOM 0 HA SER A 57 10.371 -5.409 4.936 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.361 -4.350 2.815 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.938 -5.972 2.485 1.00 0.00 H new ATOM 0 HG SER A 57 8.319 -6.158 2.300 1.00 0.00 H new ATOM 860 N THR A 58 8.212 -4.091 5.089 1.00 0.00 N ATOM 861 CA THR A 58 6.938 -3.475 5.447 1.00 0.00 C ATOM 862 C THR A 58 6.037 -3.336 4.224 1.00 0.00 C ATOM 863 O THR A 58 6.517 -3.272 3.092 1.00 0.00 O ATOM 864 CB THR A 58 7.171 -2.104 6.084 1.00 0.00 C ATOM 865 OG1 THR A 58 8.257 -1.441 5.461 1.00 0.00 O ATOM 866 CG2 THR A 58 7.466 -2.176 7.566 1.00 0.00 C ATOM 0 H THR A 58 9.030 -3.517 5.292 1.00 0.00 H new ATOM 0 HA THR A 58 6.441 -4.122 6.169 1.00 0.00 H new ATOM 0 HB THR A 58 6.239 -1.556 5.942 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.390 -0.565 5.881 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.621 -1.170 7.955 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.625 -2.639 8.082 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.365 -2.771 7.730 1.00 0.00 H new ATOM 874 N CYS A 59 4.727 -3.290 4.459 1.00 0.00 N ATOM 875 CA CYS A 59 3.759 -3.159 3.375 1.00 0.00 C ATOM 876 C CYS A 59 2.356 -3.540 3.844 1.00 0.00 C ATOM 877 O CYS A 59 2.113 -4.679 4.245 1.00 0.00 O ATOM 878 CB CYS A 59 4.168 -4.039 2.192 1.00 0.00 C ATOM 879 SG CYS A 59 4.643 -5.737 2.657 1.00 0.00 S ATOM 0 H CYS A 59 4.313 -3.342 5.390 1.00 0.00 H new ATOM 0 HA CYS A 59 3.745 -2.116 3.059 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.340 -4.086 1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.004 -3.568 1.674 1.00 0.00 H new ATOM 884 N CYS A 60 1.436 -2.582 3.785 1.00 0.00 N ATOM 885 CA CYS A 60 0.054 -2.820 4.197 1.00 0.00 C ATOM 886 C CYS A 60 -0.834 -3.056 2.987 1.00 0.00 C ATOM 887 O CYS A 60 -1.904 -2.461 2.862 1.00 0.00 O ATOM 888 CB CYS A 60 -0.482 -1.648 5.022 1.00 0.00 C ATOM 889 SG CYS A 60 0.383 -0.069 4.749 1.00 0.00 S ATOM 0 H CYS A 60 1.621 -1.634 3.456 1.00 0.00 H new ATOM 0 HA CYS A 60 0.042 -3.714 4.820 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.539 -1.512 4.792 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.416 -1.905 6.079 1.00 0.00 H new ATOM 894 N VAL A 61 -0.388 -3.943 2.106 1.00 0.00 N ATOM 895 CA VAL A 61 -1.153 -4.276 0.910 1.00 0.00 C ATOM 896 C VAL A 61 -2.477 -4.908 1.312 1.00 0.00 C ATOM 897 O VAL A 61 -2.677 -6.113 1.168 1.00 0.00 O ATOM 898 CB VAL A 61 -0.389 -5.239 -0.025 1.00 0.00 C ATOM 899 CG1 VAL A 61 -0.070 -4.555 -1.346 1.00 0.00 C ATOM 900 CG2 VAL A 61 0.883 -5.750 0.636 1.00 0.00 C ATOM 0 H VAL A 61 0.496 -4.443 2.196 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.323 -3.349 0.362 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.030 -6.097 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.468 -5.247 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.997 -4.251 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.548 -3.676 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.401 -6.426 -0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.532 -4.908 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.628 -6.283 1.552 1.00 0.00 H new ATOM 910 N ALA A 62 -3.367 -4.077 1.841 1.00 0.00 N ATOM 911 CA ALA A 62 -4.673 -4.526 2.304 1.00 0.00 C ATOM 912 C ALA A 62 -4.622 -5.938 2.860 1.00 0.00 C ATOM 913 O ALA A 62 -4.564 -6.915 2.114 1.00 0.00 O ATOM 914 CB ALA A 62 -5.705 -4.452 1.199 1.00 0.00 C ATOM 0 H ALA A 62 -3.204 -3.077 1.961 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.966 -3.851 3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.668 -4.794 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.796 -3.422 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.395 -5.087 0.369 1.00 0.00 H new ATOM 920 N LYS A 63 -4.686 -6.038 4.177 1.00 0.00 N ATOM 921 CA LYS A 63 -4.688 -7.321 4.841 1.00 0.00 C ATOM 922 C LYS A 63 -5.852 -8.136 4.333 1.00 0.00 C ATOM 923 O LYS A 63 -5.738 -9.336 4.080 1.00 0.00 O ATOM 924 CB LYS A 63 -4.827 -7.126 6.340 1.00 0.00 C ATOM 925 CG LYS A 63 -4.450 -8.355 7.136 1.00 0.00 C ATOM 926 CD LYS A 63 -5.266 -8.477 8.414 1.00 0.00 C ATOM 927 CE LYS A 63 -4.663 -9.502 9.364 1.00 0.00 C ATOM 928 NZ LYS A 63 -5.010 -9.217 10.784 1.00 0.00 N ATOM 0 H LYS A 63 -4.737 -5.237 4.807 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.752 -7.839 4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.198 -6.292 6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.857 -6.853 6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.600 -9.244 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.390 -8.315 7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.317 -7.507 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.288 -8.764 8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.018 -10.497 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.579 -9.509 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.580 -9.938 11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.649 -8.278 11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.043 -9.236 10.899 1.00 0.00 H new ATOM 942 N SER A 64 -6.974 -7.453 4.174 1.00 0.00 N ATOM 943 CA SER A 64 -8.179 -8.079 3.680 1.00 0.00 C ATOM 944 C SER A 64 -8.899 -7.138 2.725 1.00 0.00 C ATOM 945 O SER A 64 -9.308 -6.043 3.106 1.00 0.00 O ATOM 946 CB SER A 64 -9.100 -8.478 4.835 1.00 0.00 C ATOM 947 OG SER A 64 -8.395 -9.214 5.819 1.00 0.00 O ATOM 0 H SER A 64 -7.070 -6.459 4.383 1.00 0.00 H new ATOM 0 HA SER A 64 -7.903 -8.986 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.532 -7.584 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.928 -9.075 4.454 1.00 0.00 H new ATOM 0 HG SER A 64 -9.005 -9.456 6.547 1.00 0.00 H new ATOM 953 N TYR A 65 -9.028 -7.566 1.480 1.00 0.00 N ATOM 954 CA TYR A 65 -9.672 -6.762 0.450 1.00 0.00 C ATOM 955 C TYR A 65 -11.024 -7.306 0.074 1.00 0.00 C ATOM 956 O TYR A 65 -11.392 -8.424 0.435 1.00 0.00 O ATOM 957 CB TYR A 65 -8.822 -6.764 -0.806 1.00 0.00 C ATOM 958 CG TYR A 65 -8.243 -8.119 -1.130 1.00 0.00 C ATOM 959 CD1 TYR A 65 -9.076 -9.207 -1.351 1.00 0.00 C ATOM 960 CD2 TYR A 65 -6.870 -8.314 -1.212 1.00 0.00 C ATOM 961 CE1 TYR A 65 -8.559 -10.453 -1.644 1.00 0.00 C ATOM 962 CE2 TYR A 65 -6.344 -9.559 -1.505 1.00 0.00 C ATOM 963 CZ TYR A 65 -7.194 -10.624 -1.720 1.00 0.00 C ATOM 964 OH TYR A 65 -6.677 -11.865 -2.013 1.00 0.00 O ATOM 0 H TYR A 65 -8.693 -8.473 1.155 1.00 0.00 H new ATOM 0 HA TYR A 65 -9.786 -5.757 0.857 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.427 -6.424 -1.647 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.009 -6.048 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.147 -9.077 -1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.203 -7.481 -1.044 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.221 -11.289 -1.813 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.274 -9.697 -1.565 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.698 -11.816 -2.030 1.00 0.00 H new ATOM 974 N ASN A 66 -11.731 -6.524 -0.716 1.00 0.00 N ATOM 975 CA ASN A 66 -13.029 -6.950 -1.224 1.00 0.00 C ATOM 976 C ASN A 66 -13.170 -6.415 -2.627 1.00 0.00 C ATOM 977 O ASN A 66 -14.257 -6.148 -3.138 1.00 0.00 O ATOM 978 CB ASN A 66 -14.167 -6.504 -0.313 1.00 0.00 C ATOM 979 CG ASN A 66 -15.186 -7.599 -0.076 1.00 0.00 C ATOM 980 OD1 ASN A 66 -14.993 -8.472 0.770 1.00 0.00 O ATOM 981 ND2 ASN A 66 -16.280 -7.556 -0.827 1.00 0.00 N ATOM 0 H ASN A 66 -11.436 -5.596 -1.021 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.088 -8.038 -1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -13.756 -6.181 0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -14.664 -5.640 -0.754 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.004 -8.266 -0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -16.397 -6.813 -1.516 1.00 0.00 H new ATOM 988 N ARG A 67 -11.999 -6.288 -3.213 1.00 0.00 N ATOM 989 CA ARG A 67 -11.792 -5.807 -4.570 1.00 0.00 C ATOM 990 C ARG A 67 -13.089 -5.633 -5.342 1.00 0.00 C ATOM 991 O ARG A 67 -13.969 -6.494 -5.329 1.00 0.00 O ATOM 992 CB ARG A 67 -10.870 -6.774 -5.301 1.00 0.00 C ATOM 993 CG ARG A 67 -11.182 -8.220 -4.987 1.00 0.00 C ATOM 994 CD ARG A 67 -10.923 -9.127 -6.178 1.00 0.00 C ATOM 995 NE ARG A 67 -9.720 -9.935 -5.994 1.00 0.00 N ATOM 996 CZ ARG A 67 -9.660 -11.244 -6.230 1.00 0.00 C ATOM 997 NH1 ARG A 67 -10.729 -11.898 -6.669 1.00 0.00 N ATOM 998 NH2 ARG A 67 -8.527 -11.902 -6.026 1.00 0.00 N ATOM 0 H ARG A 67 -11.127 -6.526 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.338 -4.818 -4.506 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.957 -6.612 -6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.836 -6.561 -5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.575 -8.547 -4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.225 -8.309 -4.683 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.781 -9.782 -6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.820 -8.523 -7.079 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.875 -9.468 -5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.604 -11.398 -6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.676 -12.901 -6.848 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.702 -11.405 -5.689 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.480 -12.905 -6.206 1.00 0.00 H new ATOM 1012 N VAL A 68 -13.172 -4.509 -6.033 1.00 0.00 N ATOM 1013 CA VAL A 68 -14.329 -4.177 -6.850 1.00 0.00 C ATOM 1014 C VAL A 68 -13.893 -3.866 -8.270 1.00 0.00 C ATOM 1015 O VAL A 68 -14.302 -2.863 -8.855 1.00 0.00 O ATOM 1016 CB VAL A 68 -15.097 -2.964 -6.284 1.00 0.00 C ATOM 1017 CG1 VAL A 68 -15.393 -3.158 -4.807 1.00 0.00 C ATOM 1018 CG2 VAL A 68 -14.313 -1.675 -6.504 1.00 0.00 C ATOM 0 H VAL A 68 -12.439 -3.800 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 68 -14.992 -5.042 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 68 -16.044 -2.885 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.935 -2.292 -4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.000 -4.053 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.457 -3.269 -4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -14.874 -0.834 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.349 -1.745 -6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.155 -1.523 -7.572 1.00 0.00 H new ATOM 1028 N THR A 69 -13.044 -4.732 -8.806 1.00 0.00 N ATOM 1029 CA THR A 69 -12.512 -4.565 -10.153 1.00 0.00 C ATOM 1030 C THR A 69 -13.318 -3.550 -10.952 1.00 0.00 C ATOM 1031 O THR A 69 -14.509 -3.736 -11.206 1.00 0.00 O ATOM 1032 CB THR A 69 -12.480 -5.891 -10.901 1.00 0.00 C ATOM 1033 OG1 THR A 69 -11.600 -6.806 -10.271 1.00 0.00 O ATOM 1034 CG2 THR A 69 -12.038 -5.733 -12.338 1.00 0.00 C ATOM 0 H THR A 69 -12.706 -5.565 -8.324 1.00 0.00 H new ATOM 0 HA THR A 69 -11.493 -4.193 -10.046 1.00 0.00 H new ATOM 0 HB THR A 69 -13.502 -6.269 -10.884 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.596 -7.651 -10.767 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.032 -6.708 -12.826 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.728 -5.070 -12.860 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.035 -5.308 -12.365 1.00 0.00 H new ATOM 1042 N VAL A 70 -12.650 -2.477 -11.337 1.00 0.00 N ATOM 1043 CA VAL A 70 -13.276 -1.413 -12.105 1.00 0.00 C ATOM 1044 C VAL A 70 -12.438 -1.044 -13.319 1.00 0.00 C ATOM 1045 O VAL A 70 -11.448 -1.705 -13.637 1.00 0.00 O ATOM 1046 CB VAL A 70 -13.490 -0.146 -11.256 1.00 0.00 C ATOM 1047 CG1 VAL A 70 -14.939 0.305 -11.333 1.00 0.00 C ATOM 1048 CG2 VAL A 70 -13.071 -0.379 -9.811 1.00 0.00 C ATOM 0 H VAL A 70 -11.664 -2.318 -11.128 1.00 0.00 H new ATOM 0 HA VAL A 70 -14.244 -1.796 -12.428 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.861 0.646 -11.661 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.074 1.201 -10.728 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -15.197 0.525 -12.369 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.587 -0.487 -10.958 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.233 0.532 -9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -13.665 -1.188 -9.386 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.015 -0.647 -9.777 1.00 0.00 H new ATOM 1058 N MET A 71 -12.850 0.020 -13.990 1.00 0.00 N ATOM 1059 CA MET A 71 -12.155 0.504 -15.175 1.00 0.00 C ATOM 1060 C MET A 71 -11.816 -0.643 -16.118 1.00 0.00 C ATOM 1061 O MET A 71 -12.640 -1.525 -16.362 1.00 0.00 O ATOM 1062 CB MET A 71 -10.876 1.247 -14.784 1.00 0.00 C ATOM 1063 CG MET A 71 -10.925 1.865 -13.403 1.00 0.00 C ATOM 1064 SD MET A 71 -11.395 3.609 -13.423 1.00 0.00 S ATOM 1065 CE MET A 71 -12.061 3.779 -15.078 1.00 0.00 C ATOM 0 H MET A 71 -13.669 0.570 -13.732 1.00 0.00 H new ATOM 0 HA MET A 71 -12.823 1.193 -15.692 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.036 0.554 -14.832 1.00 0.00 H new ATOM 0 HB3 MET A 71 -10.685 2.032 -15.516 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.634 1.311 -12.789 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.948 1.764 -12.931 1.00 0.00 H new ATOM 0 HE1 MET A 71 -12.535 4.755 -15.181 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.255 3.689 -15.806 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.799 2.997 -15.255 1.00 0.00 H new ATOM 1075 N GLY A 72 -10.598 -0.622 -16.650 1.00 0.00 N ATOM 1076 CA GLY A 72 -10.171 -1.659 -17.563 1.00 0.00 C ATOM 1077 C GLY A 72 -9.765 -2.943 -16.863 1.00 0.00 C ATOM 1078 O GLY A 72 -8.905 -3.675 -17.351 1.00 0.00 O ATOM 0 H GLY A 72 -9.900 0.098 -16.463 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.979 -1.874 -18.262 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.330 -1.292 -18.151 1.00 0.00 H new ATOM 1082 N GLY A 73 -10.387 -3.223 -15.722 1.00 0.00 N ATOM 1083 CA GLY A 73 -10.069 -4.433 -14.986 1.00 0.00 C ATOM 1084 C GLY A 73 -9.178 -4.171 -13.787 1.00 0.00 C ATOM 1085 O GLY A 73 -8.273 -4.955 -13.496 1.00 0.00 O ATOM 0 H GLY A 73 -11.103 -2.636 -15.295 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.994 -4.903 -14.651 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.575 -5.140 -15.653 1.00 0.00 H new ATOM 1089 N PHE A 74 -9.432 -3.068 -13.092 1.00 0.00 N ATOM 1090 CA PHE A 74 -8.645 -2.705 -11.918 1.00 0.00 C ATOM 1091 C PHE A 74 -8.942 -3.632 -10.750 1.00 0.00 C ATOM 1092 O PHE A 74 -9.658 -4.623 -10.889 1.00 0.00 O ATOM 1093 CB PHE A 74 -8.929 -1.260 -11.509 1.00 0.00 C ATOM 1094 CG PHE A 74 -8.050 -0.249 -12.189 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -7.235 -0.616 -13.248 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -8.041 1.071 -11.768 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -6.426 0.315 -13.873 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -7.235 2.006 -12.388 1.00 0.00 C ATOM 1099 CZ PHE A 74 -6.427 1.628 -13.442 1.00 0.00 C ATOM 0 H PHE A 74 -10.176 -2.409 -13.321 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.592 -2.804 -12.183 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.971 -1.028 -11.731 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.805 -1.167 -10.430 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.232 -1.641 -13.589 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.672 1.373 -10.945 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.794 0.017 -14.697 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.237 3.031 -12.049 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.797 2.357 -13.929 1.00 0.00 H new ATOM 1109 N LYS A 75 -8.380 -3.297 -9.597 1.00 0.00 N ATOM 1110 CA LYS A 75 -8.575 -4.091 -8.391 1.00 0.00 C ATOM 1111 C LYS A 75 -8.164 -3.309 -7.147 1.00 0.00 C ATOM 1112 O LYS A 75 -7.008 -3.360 -6.726 1.00 0.00 O ATOM 1113 CB LYS A 75 -7.764 -5.383 -8.473 1.00 0.00 C ATOM 1114 CG LYS A 75 -8.569 -6.582 -8.940 1.00 0.00 C ATOM 1115 CD LYS A 75 -8.444 -7.749 -7.970 1.00 0.00 C ATOM 1116 CE LYS A 75 -6.990 -8.065 -7.654 1.00 0.00 C ATOM 1117 NZ LYS A 75 -6.209 -8.390 -8.881 1.00 0.00 N ATOM 0 H LYS A 75 -7.784 -2.479 -9.471 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.636 -4.331 -8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.926 -5.232 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.343 -5.600 -7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.617 -6.301 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.226 -6.890 -9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.974 -7.513 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.923 -8.630 -8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.535 -7.212 -7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.944 -8.906 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.264 -8.730 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.702 -9.130 -9.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.116 -7.537 -9.469 1.00 0.00 H new ATOM 1131 N VAL A 76 -9.116 -2.598 -6.553 1.00 0.00 N ATOM 1132 CA VAL A 76 -8.844 -1.822 -5.347 1.00 0.00 C ATOM 1133 C VAL A 76 -8.920 -2.689 -4.144 1.00 0.00 C ATOM 1134 O VAL A 76 -8.894 -2.207 -3.011 1.00 0.00 O ATOM 1135 CB VAL A 76 -9.876 -0.704 -5.147 1.00 0.00 C ATOM 1136 CG1 VAL A 76 -9.792 0.299 -6.285 1.00 0.00 C ATOM 1137 CG2 VAL A 76 -11.250 -1.359 -5.087 1.00 0.00 C ATOM 0 H VAL A 76 -10.079 -2.542 -6.884 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.848 -1.398 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.685 -0.157 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.529 1.087 -6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.794 0.736 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.992 -0.206 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -12.012 -0.593 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.440 -1.892 -6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.282 -2.062 -4.254 1.00 0.00 H new ATOM 1147 N GLU A 77 -9.045 -3.963 -4.396 1.00 0.00 N ATOM 1148 CA GLU A 77 -9.174 -4.912 -3.310 1.00 0.00 C ATOM 1149 C GLU A 77 -9.865 -4.161 -2.187 1.00 0.00 C ATOM 1150 O GLU A 77 -9.472 -4.234 -1.028 1.00 0.00 O ATOM 1151 CB GLU A 77 -7.785 -5.410 -2.898 1.00 0.00 C ATOM 1152 CG GLU A 77 -6.661 -4.820 -3.729 1.00 0.00 C ATOM 1153 CD GLU A 77 -6.499 -5.513 -5.068 1.00 0.00 C ATOM 1154 OE1 GLU A 77 -7.431 -6.234 -5.480 1.00 0.00 O ATOM 1155 OE2 GLU A 77 -5.438 -5.335 -5.703 1.00 0.00 O ATOM 0 H GLU A 77 -9.061 -4.371 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.752 -5.794 -3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.617 -5.167 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.757 -6.496 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.854 -3.760 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.727 -4.891 -3.172 1.00 0.00 H new ATOM 1162 N ASN A 78 -10.867 -3.370 -2.617 1.00 0.00 N ATOM 1163 CA ASN A 78 -11.625 -2.465 -1.753 1.00 0.00 C ATOM 1164 C ASN A 78 -11.259 -2.762 -0.331 1.00 0.00 C ATOM 1165 O ASN A 78 -12.065 -3.183 0.500 1.00 0.00 O ATOM 1166 CB ASN A 78 -13.129 -2.529 -1.998 1.00 0.00 C ATOM 1167 CG ASN A 78 -13.724 -3.840 -1.604 1.00 0.00 C ATOM 1168 OD1 ASN A 78 -13.115 -4.597 -0.861 1.00 0.00 O ATOM 1169 ND2 ASN A 78 -14.930 -4.103 -2.093 1.00 0.00 N ATOM 0 H ASN A 78 -11.172 -3.347 -3.590 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.357 -1.435 -1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.618 -1.731 -1.439 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.329 -2.347 -3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -15.398 -4.977 -1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.388 -3.431 -2.709 1.00 0.00 H new ATOM 1176 N HIS A 79 -9.981 -2.580 -0.116 1.00 0.00 N ATOM 1177 CA HIS A 79 -9.336 -2.848 1.134 1.00 0.00 C ATOM 1178 C HIS A 79 -10.259 -2.792 2.320 1.00 0.00 C ATOM 1179 O HIS A 79 -10.795 -1.747 2.690 1.00 0.00 O ATOM 1180 CB HIS A 79 -8.150 -1.920 1.320 1.00 0.00 C ATOM 1181 CG HIS A 79 -7.171 -2.074 0.220 1.00 0.00 C ATOM 1182 ND1 HIS A 79 -6.037 -1.322 0.072 1.00 0.00 N ATOM 1183 CD2 HIS A 79 -7.202 -2.930 -0.819 1.00 0.00 C ATOM 1184 CE1 HIS A 79 -5.418 -1.734 -1.043 1.00 0.00 C ATOM 1185 NE2 HIS A 79 -6.086 -2.715 -1.623 1.00 0.00 N ATOM 0 H HIS A 79 -9.345 -2.230 -0.832 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.987 -3.880 1.087 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -8.496 -0.887 1.360 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.666 -2.131 2.273 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.720 -0.581 0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.971 -3.667 -1.000 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.494 -1.319 -1.418 1.00 0.00 H new ATOM 1193 N THR A 80 -10.387 -3.947 2.926 1.00 0.00 N ATOM 1194 CA THR A 80 -11.191 -4.114 4.118 1.00 0.00 C ATOM 1195 C THR A 80 -10.268 -4.102 5.328 1.00 0.00 C ATOM 1196 O THR A 80 -10.699 -3.889 6.462 1.00 0.00 O ATOM 1197 CB THR A 80 -11.979 -5.418 4.038 1.00 0.00 C ATOM 1198 OG1 THR A 80 -11.334 -6.445 4.772 1.00 0.00 O ATOM 1199 CG2 THR A 80 -12.161 -5.902 2.614 1.00 0.00 C ATOM 0 H THR A 80 -9.935 -4.804 2.607 1.00 0.00 H new ATOM 0 HA THR A 80 -11.910 -3.300 4.208 1.00 0.00 H new ATOM 0 HB THR A 80 -12.959 -5.200 4.463 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.857 -7.271 4.708 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.728 -6.833 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.701 -5.149 2.040 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.185 -6.073 2.160 1.00 0.00 H new ATOM 1207 N ALA A 81 -8.979 -4.318 5.059 1.00 0.00 N ATOM 1208 CA ALA A 81 -7.960 -4.320 6.091 1.00 0.00 C ATOM 1209 C ALA A 81 -6.593 -4.064 5.468 1.00 0.00 C ATOM 1210 O ALA A 81 -6.228 -4.713 4.494 1.00 0.00 O ATOM 1211 CB ALA A 81 -7.964 -5.647 6.836 1.00 0.00 C ATOM 0 H ALA A 81 -8.621 -4.495 4.121 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.177 -3.525 6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.194 -5.634 7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.939 -5.801 7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.762 -6.458 6.136 1.00 0.00 H new ATOM 1217 N CYS A 82 -5.842 -3.123 6.030 1.00 0.00 N ATOM 1218 CA CYS A 82 -4.508 -2.803 5.525 1.00 0.00 C ATOM 1219 C CYS A 82 -3.507 -2.826 6.676 1.00 0.00 C ATOM 1220 O CYS A 82 -3.629 -2.058 7.629 1.00 0.00 O ATOM 1221 CB CYS A 82 -4.484 -1.433 4.854 1.00 0.00 C ATOM 1222 SG CYS A 82 -4.497 -1.496 3.032 1.00 0.00 S ATOM 0 H CYS A 82 -6.132 -2.568 6.835 1.00 0.00 H new ATOM 0 HA CYS A 82 -4.237 -3.552 4.781 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.346 -0.859 5.193 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -3.594 -0.895 5.182 1.00 0.00 H new ATOM 1227 N HIS A 83 -2.535 -3.727 6.600 1.00 0.00 N ATOM 1228 CA HIS A 83 -1.540 -3.857 7.665 1.00 0.00 C ATOM 1229 C HIS A 83 -0.123 -4.003 7.122 1.00 0.00 C ATOM 1230 O HIS A 83 0.162 -4.901 6.330 1.00 0.00 O ATOM 1231 CB HIS A 83 -1.876 -5.050 8.560 1.00 0.00 C ATOM 1232 CG HIS A 83 -3.322 -5.109 8.924 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -3.774 -5.361 10.200 1.00 0.00 N ATOM 1234 CD2 HIS A 83 -4.420 -4.929 8.164 1.00 0.00 C ATOM 1235 CE1 HIS A 83 -5.095 -5.334 10.207 1.00 0.00 C ATOM 1236 NE2 HIS A 83 -5.514 -5.072 8.982 1.00 0.00 N ATOM 0 H HIS A 83 -2.412 -4.374 5.821 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.575 -2.937 8.248 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -1.596 -5.972 8.050 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.279 -4.996 9.470 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -3.183 -5.540 11.011 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.437 -4.712 7.106 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -5.725 -5.498 11.068 1.00 0.00 H new ATOM 1245 N CYS A 84 0.766 -3.120 7.572 1.00 0.00 N ATOM 1246 CA CYS A 84 2.162 -3.148 7.150 1.00 0.00 C ATOM 1247 C CYS A 84 2.804 -4.486 7.495 1.00 0.00 C ATOM 1248 O CYS A 84 3.086 -4.769 8.660 1.00 0.00 O ATOM 1249 CB CYS A 84 2.944 -2.013 7.814 1.00 0.00 C ATOM 1250 SG CYS A 84 1.985 -0.481 8.045 1.00 0.00 S ATOM 0 H CYS A 84 0.542 -2.374 8.231 1.00 0.00 H new ATOM 0 HA CYS A 84 2.190 -3.015 6.069 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.303 -2.354 8.785 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.823 -1.790 7.209 1.00 0.00 H new ATOM 1255 N SER A 85 3.028 -5.306 6.474 1.00 0.00 N ATOM 1256 CA SER A 85 3.633 -6.620 6.659 1.00 0.00 C ATOM 1257 C SER A 85 3.225 -7.558 5.528 1.00 0.00 C ATOM 1258 O SER A 85 2.209 -7.344 4.869 1.00 0.00 O ATOM 1259 CB SER A 85 3.218 -7.212 8.007 1.00 0.00 C ATOM 1260 OG SER A 85 1.880 -6.870 8.326 1.00 0.00 O ATOM 0 H SER A 85 2.798 -5.082 5.506 1.00 0.00 H new ATOM 0 HA SER A 85 4.717 -6.505 6.645 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.322 -8.297 7.979 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.885 -6.848 8.788 1.00 0.00 H new ATOM 0 HG SER A 85 1.874 -6.082 8.909 1.00 0.00 H new ATOM 1266 N THR A 86 4.024 -8.596 5.305 1.00 0.00 N ATOM 1267 CA THR A 86 3.740 -9.559 4.247 1.00 0.00 C ATOM 1268 C THR A 86 3.312 -8.846 2.969 1.00 0.00 C ATOM 1269 O THR A 86 2.155 -8.452 2.823 1.00 0.00 O ATOM 1270 CB THR A 86 2.643 -10.529 4.690 1.00 0.00 C ATOM 1271 OG1 THR A 86 1.397 -9.863 4.785 1.00 0.00 O ATOM 1272 CG2 THR A 86 2.920 -11.178 6.029 1.00 0.00 C ATOM 0 H THR A 86 4.870 -8.792 5.840 1.00 0.00 H new ATOM 0 HA THR A 86 4.653 -10.120 4.046 1.00 0.00 H new ATOM 0 HB THR A 86 2.620 -11.307 3.927 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.451 -9.000 4.324 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.103 -11.853 6.282 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.852 -11.741 5.975 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.005 -10.408 6.796 1.00 0.00 H new ATOM 1280 N CYS A 87 4.253 -8.681 2.045 1.00 0.00 N ATOM 1281 CA CYS A 87 3.970 -8.013 0.780 1.00 0.00 C ATOM 1282 C CYS A 87 3.342 -8.981 -0.219 1.00 0.00 C ATOM 1283 O CYS A 87 2.774 -10.002 0.166 1.00 0.00 O ATOM 1284 CB CYS A 87 5.251 -7.409 0.200 1.00 0.00 C ATOM 1285 SG CYS A 87 6.081 -6.227 1.310 1.00 0.00 S ATOM 0 H CYS A 87 5.216 -9.000 2.148 1.00 0.00 H new ATOM 0 HA CYS A 87 3.257 -7.211 0.971 1.00 0.00 H new ATOM 0 HB2 CYS A 87 5.944 -8.215 -0.040 1.00 0.00 H new ATOM 0 HB3 CYS A 87 5.011 -6.906 -0.737 1.00 0.00 H new ATOM 1290 N TYR A 88 3.443 -8.650 -1.502 1.00 0.00 N ATOM 1291 CA TYR A 88 2.877 -9.486 -2.554 1.00 0.00 C ATOM 1292 C TYR A 88 3.780 -10.674 -2.873 1.00 0.00 C ATOM 1293 O TYR A 88 3.592 -11.353 -3.882 1.00 0.00 O ATOM 1294 CB TYR A 88 2.649 -8.656 -3.817 1.00 0.00 C ATOM 1295 CG TYR A 88 3.892 -8.488 -4.658 1.00 0.00 C ATOM 1296 CD1 TYR A 88 5.145 -8.392 -4.065 1.00 0.00 C ATOM 1297 CD2 TYR A 88 3.814 -8.426 -6.042 1.00 0.00 C ATOM 1298 CE1 TYR A 88 6.285 -8.238 -4.829 1.00 0.00 C ATOM 1299 CE2 TYR A 88 4.951 -8.273 -6.814 1.00 0.00 C ATOM 1300 CZ TYR A 88 6.183 -8.179 -6.203 1.00 0.00 C ATOM 1301 OH TYR A 88 7.318 -8.026 -6.966 1.00 0.00 O ATOM 0 H TYR A 88 3.912 -7.809 -1.838 1.00 0.00 H new ATOM 0 HA TYR A 88 1.924 -9.874 -2.194 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.874 -9.130 -4.419 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.276 -7.672 -3.533 1.00 0.00 H new ATOM 0 HD1 TYR A 88 5.229 -8.439 -2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.850 -8.498 -6.524 1.00 0.00 H new ATOM 0 HE1 TYR A 88 7.252 -8.164 -4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.874 -8.227 -7.890 1.00 0.00 H new ATOM 0 HH TYR A 88 7.074 -8.004 -7.915 1.00 0.00 H new ATOM 1311 N TYR A 89 4.754 -10.926 -2.007 1.00 0.00 N ATOM 1312 CA TYR A 89 5.676 -12.039 -2.200 1.00 0.00 C ATOM 1313 C TYR A 89 6.424 -12.353 -0.910 1.00 0.00 C ATOM 1314 O TYR A 89 6.250 -11.673 0.102 1.00 0.00 O ATOM 1315 CB TYR A 89 6.672 -11.724 -3.318 1.00 0.00 C ATOM 1316 CG TYR A 89 6.467 -12.557 -4.564 1.00 0.00 C ATOM 1317 CD1 TYR A 89 6.415 -13.945 -4.499 1.00 0.00 C ATOM 1318 CD2 TYR A 89 6.326 -11.954 -5.807 1.00 0.00 C ATOM 1319 CE1 TYR A 89 6.228 -14.707 -5.638 1.00 0.00 C ATOM 1320 CE2 TYR A 89 6.138 -12.707 -6.950 1.00 0.00 C ATOM 1321 CZ TYR A 89 6.089 -14.083 -6.861 1.00 0.00 C ATOM 1322 OH TYR A 89 5.902 -14.836 -7.997 1.00 0.00 O ATOM 0 H TYR A 89 4.926 -10.376 -1.165 1.00 0.00 H new ATOM 0 HA TYR A 89 5.092 -12.914 -2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.591 -10.669 -3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.684 -11.883 -2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 89 6.522 -14.436 -3.543 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.364 -10.877 -5.882 1.00 0.00 H new ATOM 0 HE1 TYR A 89 6.191 -15.784 -5.571 1.00 0.00 H new ATOM 0 HE2 TYR A 89 6.030 -12.221 -7.908 1.00 0.00 H new ATOM 0 HH TYR A 89 5.821 -14.243 -8.773 1.00 0.00 H new ATOM 1332 N HIS A 90 7.253 -13.388 -0.952 1.00 0.00 N ATOM 1333 CA HIS A 90 8.027 -13.796 0.216 1.00 0.00 C ATOM 1334 C HIS A 90 7.168 -13.762 1.476 1.00 0.00 C ATOM 1335 O HIS A 90 7.675 -13.562 2.579 1.00 0.00 O ATOM 1336 CB HIS A 90 9.247 -12.889 0.391 1.00 0.00 C ATOM 1337 CG HIS A 90 10.537 -13.638 0.510 1.00 0.00 C ATOM 1338 ND1 HIS A 90 11.158 -13.887 1.718 1.00 0.00 N ATOM 1339 CD2 HIS A 90 11.326 -14.197 -0.437 1.00 0.00 C ATOM 1340 CE1 HIS A 90 12.273 -14.566 1.506 1.00 0.00 C ATOM 1341 NE2 HIS A 90 12.396 -14.767 0.207 1.00 0.00 N ATOM 0 H HIS A 90 7.408 -13.961 -1.782 1.00 0.00 H new ATOM 0 HA HIS A 90 8.366 -14.819 0.056 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.308 -12.209 -0.458 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.109 -12.276 1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 90 11.147 -14.195 -1.502 1.00 0.00 H new ATOM 0 HE1 HIS A 90 12.965 -14.899 2.266 1.00 0.00 H new ATOM 0 HE2 HIS A 90 13.162 -15.265 -0.245 1.00 0.00 H new ATOM 1350 N LYS A 91 5.865 -13.964 1.304 1.00 0.00 N ATOM 1351 CA LYS A 91 4.938 -13.960 2.431 1.00 0.00 C ATOM 1352 C LYS A 91 5.385 -14.955 3.495 1.00 0.00 C ATOM 1353 O LYS A 91 5.364 -14.657 4.689 1.00 0.00 O ATOM 1354 CB LYS A 91 3.525 -14.304 1.960 1.00 0.00 C ATOM 1355 CG LYS A 91 3.051 -13.465 0.786 1.00 0.00 C ATOM 1356 CD LYS A 91 1.728 -13.973 0.238 1.00 0.00 C ATOM 1357 CE LYS A 91 1.807 -14.232 -1.258 1.00 0.00 C ATOM 1358 NZ LYS A 91 2.991 -15.061 -1.618 1.00 0.00 N ATOM 0 H LYS A 91 5.428 -14.132 0.398 1.00 0.00 H new ATOM 0 HA LYS A 91 4.933 -12.960 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.491 -15.357 1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.833 -14.173 2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.942 -12.427 1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.803 -13.482 -0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.449 -14.892 0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.945 -13.243 0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.898 -14.735 -1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.855 -13.281 -1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.775 -15.626 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.802 -14.441 -1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.224 -15.696 -0.828 1.00 0.00 H new ATOM 1372 N SER A 92 5.789 -16.140 3.049 1.00 0.00 N ATOM 1373 CA SER A 92 6.245 -17.185 3.956 1.00 0.00 C ATOM 1374 C SER A 92 6.516 -18.481 3.199 1.00 0.00 C ATOM 1375 O SER A 92 6.036 -18.607 2.053 1.00 0.00 O ATOM 1376 CB SER A 92 5.210 -17.429 5.055 1.00 0.00 C ATOM 1377 OG SER A 92 3.893 -17.396 4.534 1.00 0.00 O ATOM 1378 OXT SER A 92 7.205 -19.359 3.758 1.00 0.00 O ATOM 0 H SER A 92 5.810 -16.400 2.063 1.00 0.00 H new ATOM 0 HA SER A 92 7.176 -16.850 4.415 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.394 -18.396 5.524 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.316 -16.672 5.832 1.00 0.00 H new ATOM 0 HG SER A 92 3.251 -17.556 5.257 1.00 0.00 H new TER 1384 SER A 92