USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 854 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 7 LYS NZ :NH3+ 139:sc= -1.31! (180deg=0) USER MOD Set 1.2: A 32 GLN : amide:sc= -1.41! C(o=-2.7!,f=-16!) USER MOD Set 2.1: A 1 MET CE :methyl -126:sc= -6.7! (180deg=-2.63) USER MOD Set 2.2: A 21 MET CE :methyl 138:sc= -3.31! (180deg=-8.66!) USER MOD Set 2.3: A 42 HIS : no HD1:sc= -12! C(o=-22!,f=-27!) USER MOD Single : A 1 MET N :NH3+ -134:sc= -2.06! (180deg=-7.9!) USER MOD Single : A 2 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.4) USER MOD Single : A 4 THR OG1 : rot 103:sc= -2.31! USER MOD Single : A 8 ASN : amide:sc= 0.926 K(o=0.93,f=-0.77) USER MOD Single : A 9 THR OG1 : rot 89:sc= 0.26 USER MOD Single : A 12 SER OG : rot 180:sc= 0.135 USER MOD Single : A 16 THR OG1 : rot 86:sc= 0.704 USER MOD Single : A 20 ASN : amide:sc= -3.66! C(o=-3.7!,f=-10!) USER MOD Single : A 25 ASN : amide:sc= -0.732 K(o=-0.73,f=-0.089) USER MOD Single : A 29 MET CE :methyl 135:sc= -7.72! (180deg=-14!) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc=-0.000597 (180deg=-0.125) USER MOD Single : A 40 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0458) USER MOD Single : A 41 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -20:sc= 0.206 USER MOD Single : A 84 SER OG : rot 180:sc= -0.153 USER MOD Single : A 85 GLN : amide:sc= -4.36 K(o=-4.4,f=-10!) USER MOD Single : A 90 ASN : amide:sc= -0.734 K(o=-0.73,f=-0.12) USER MOD Single : A 93 THR OG1 : rot 174:sc= -1.68! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 98 SER OG : rot 140:sc= -2.61 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -3.36! C(o=-3.4!,f=-7.8!) USER MOD Single : A 120 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.328 5.205 -3.142 1.00 0.00 N ATOM 2 CA MET A 1 -5.607 6.506 -3.037 1.00 0.00 C ATOM 3 C MET A 1 -4.426 6.367 -2.057 1.00 0.00 C ATOM 4 O MET A 1 -3.593 5.494 -2.206 1.00 0.00 O ATOM 5 CB MET A 1 -6.654 7.490 -2.512 1.00 0.00 C ATOM 6 CG MET A 1 -7.855 7.509 -3.461 1.00 0.00 C ATOM 7 SD MET A 1 -9.204 6.533 -2.752 1.00 0.00 S ATOM 8 CE MET A 1 -9.397 5.375 -4.130 1.00 0.00 C ATOM 0 H1 MET A 1 -6.512 4.990 -4.143 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.745 4.450 -2.727 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.231 5.266 -2.629 1.00 0.00 H new ATOM 0 HA MET A 1 -5.188 6.840 -3.986 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.972 7.200 -1.511 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.223 8.488 -2.433 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.183 8.535 -3.628 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.571 7.104 -4.432 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.435 5.374 -4.461 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.753 5.680 -4.955 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.119 4.373 -3.805 1.00 0.00 H new ATOM 20 N ASN A 2 -4.355 7.199 -1.050 1.00 0.00 N ATOM 21 CA ASN A 2 -3.237 7.087 -0.058 1.00 0.00 C ATOM 22 C ASN A 2 -3.563 5.917 0.919 1.00 0.00 C ATOM 23 O ASN A 2 -4.319 6.080 1.863 1.00 0.00 O ATOM 24 CB ASN A 2 -3.274 8.433 0.675 1.00 0.00 C ATOM 25 CG ASN A 2 -2.107 8.501 1.673 1.00 0.00 C ATOM 26 OD1 ASN A 2 -1.014 8.069 1.366 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.285 9.028 2.861 1.00 0.00 N ATOM 0 H ASN A 2 -5.020 7.951 -0.870 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.261 6.886 -0.500 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.203 9.252 -0.041 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.223 8.549 1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.508 9.073 3.520 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.200 9.393 3.125 1.00 0.00 H new ATOM 34 N LEU A 3 -3.031 4.725 0.683 1.00 0.00 N ATOM 35 CA LEU A 3 -3.360 3.560 1.596 1.00 0.00 C ATOM 36 C LEU A 3 -3.357 4.007 3.055 1.00 0.00 C ATOM 37 O LEU A 3 -4.197 3.612 3.819 1.00 0.00 O ATOM 38 CB LEU A 3 -2.265 2.483 1.372 1.00 0.00 C ATOM 39 CG LEU A 3 -2.880 1.104 1.010 1.00 0.00 C ATOM 40 CD1 LEU A 3 -4.153 1.250 0.166 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.861 0.284 0.206 1.00 0.00 C ATOM 0 H LEU A 3 -2.396 4.511 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.351 3.166 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.597 2.804 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.660 2.386 2.274 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.136 0.605 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.551 0.262 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.896 1.819 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.917 1.772 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.292 -0.684 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.604 0.818 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.962 0.135 0.803 1.00 0.00 H new ATOM 53 N THR A 4 -2.419 4.809 3.461 1.00 0.00 N ATOM 54 CA THR A 4 -2.411 5.238 4.898 1.00 0.00 C ATOM 55 C THR A 4 -3.757 5.922 5.202 1.00 0.00 C ATOM 56 O THR A 4 -4.340 5.737 6.259 1.00 0.00 O ATOM 57 CB THR A 4 -1.210 6.209 5.052 1.00 0.00 C ATOM 58 OG1 THR A 4 -0.137 5.769 4.236 1.00 0.00 O ATOM 59 CG2 THR A 4 -0.753 6.251 6.507 1.00 0.00 C ATOM 0 H THR A 4 -1.669 5.184 2.881 1.00 0.00 H new ATOM 0 HA THR A 4 -2.299 4.409 5.597 1.00 0.00 H new ATOM 0 HB THR A 4 -1.521 7.208 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.093 6.321 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.090 6.935 6.604 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.574 6.595 7.136 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.448 5.253 6.822 1.00 0.00 H new ATOM 67 N GLU A 5 -4.281 6.674 4.262 1.00 0.00 N ATOM 68 CA GLU A 5 -5.606 7.323 4.486 1.00 0.00 C ATOM 69 C GLU A 5 -6.689 6.239 4.475 1.00 0.00 C ATOM 70 O GLU A 5 -7.543 6.201 5.338 1.00 0.00 O ATOM 71 CB GLU A 5 -5.772 8.335 3.334 1.00 0.00 C ATOM 72 CG GLU A 5 -6.695 7.785 2.236 1.00 0.00 C ATOM 73 CD GLU A 5 -6.827 8.819 1.117 1.00 0.00 C ATOM 74 OE1 GLU A 5 -7.693 9.672 1.224 1.00 0.00 O ATOM 75 OE2 GLU A 5 -6.059 8.742 0.172 1.00 0.00 O ATOM 0 H GLU A 5 -3.850 6.863 3.357 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.684 7.838 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.181 9.268 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.796 8.568 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.291 6.853 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.676 7.556 2.652 1.00 0.00 H new ATOM 82 N LEU A 6 -6.647 5.329 3.526 1.00 0.00 N ATOM 83 CA LEU A 6 -7.644 4.250 3.506 1.00 0.00 C ATOM 84 C LEU A 6 -7.699 3.579 4.884 1.00 0.00 C ATOM 85 O LEU A 6 -8.754 3.415 5.464 1.00 0.00 O ATOM 86 CB LEU A 6 -7.066 3.338 2.450 1.00 0.00 C ATOM 87 CG LEU A 6 -7.185 4.038 1.101 1.00 0.00 C ATOM 88 CD1 LEU A 6 -6.539 3.181 0.016 1.00 0.00 C ATOM 89 CD2 LEU A 6 -8.665 4.253 0.783 1.00 0.00 C ATOM 0 H LEU A 6 -5.960 5.302 2.773 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.668 4.557 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.023 3.113 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.600 2.388 2.434 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.675 5.000 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.627 3.685 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.486 3.029 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.043 2.216 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.761 4.753 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.172 3.289 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.118 4.870 1.559 1.00 0.00 H new ATOM 101 N LYS A 7 -6.567 3.205 5.418 1.00 0.00 N ATOM 102 CA LYS A 7 -6.554 2.562 6.769 1.00 0.00 C ATOM 103 C LYS A 7 -7.052 3.551 7.827 1.00 0.00 C ATOM 104 O LYS A 7 -7.713 3.178 8.776 1.00 0.00 O ATOM 105 CB LYS A 7 -5.086 2.193 7.035 1.00 0.00 C ATOM 106 CG LYS A 7 -4.835 0.751 6.591 1.00 0.00 C ATOM 107 CD LYS A 7 -5.584 -0.204 7.522 1.00 0.00 C ATOM 108 CE LYS A 7 -5.109 -1.635 7.272 1.00 0.00 C ATOM 109 NZ LYS A 7 -6.358 -2.437 7.146 1.00 0.00 N ATOM 0 H LYS A 7 -5.652 3.315 4.981 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.204 1.688 6.810 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.426 2.871 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.858 2.303 8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.170 0.612 5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.767 0.533 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.409 0.072 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.658 -0.130 7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.506 -1.698 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.490 -1.995 8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.252 -3.126 6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.538 -2.941 8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.157 -1.805 6.938 1.00 0.00 H new ATOM 123 N ASN A 8 -6.723 4.805 7.683 1.00 0.00 N ATOM 124 CA ASN A 8 -7.174 5.809 8.714 1.00 0.00 C ATOM 125 C ASN A 8 -8.698 5.886 8.774 1.00 0.00 C ATOM 126 O ASN A 8 -9.280 6.246 9.779 1.00 0.00 O ATOM 127 CB ASN A 8 -6.612 7.173 8.268 1.00 0.00 C ATOM 128 CG ASN A 8 -5.277 7.431 8.966 1.00 0.00 C ATOM 129 OD1 ASN A 8 -5.216 8.161 9.936 1.00 0.00 O ATOM 130 ND2 ASN A 8 -4.198 6.862 8.511 1.00 0.00 N ATOM 0 H ASN A 8 -6.171 5.183 6.913 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.820 5.523 9.704 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.477 7.186 7.186 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.320 7.966 8.510 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.302 7.029 8.968 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.249 6.249 7.697 1.00 0.00 H new ATOM 137 N THR A 9 -9.335 5.551 7.708 1.00 0.00 N ATOM 138 CA THR A 9 -10.838 5.598 7.674 1.00 0.00 C ATOM 139 C THR A 9 -11.413 4.414 8.477 1.00 0.00 C ATOM 140 O THR A 9 -10.960 3.301 8.293 1.00 0.00 O ATOM 141 CB THR A 9 -11.226 5.453 6.191 1.00 0.00 C ATOM 142 OG1 THR A 9 -10.361 6.248 5.392 1.00 0.00 O ATOM 143 CG2 THR A 9 -12.673 5.900 5.975 1.00 0.00 C ATOM 0 H THR A 9 -8.893 5.242 6.842 1.00 0.00 H new ATOM 0 HA THR A 9 -11.225 6.520 8.107 1.00 0.00 H new ATOM 0 HB THR A 9 -11.132 4.406 5.904 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.574 5.722 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.934 5.792 4.922 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.338 5.283 6.579 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.779 6.944 6.270 1.00 0.00 H new ATOM 151 N PRO A 10 -12.385 4.646 9.348 1.00 0.00 N ATOM 152 CA PRO A 10 -12.945 3.508 10.130 1.00 0.00 C ATOM 153 C PRO A 10 -13.669 2.490 9.184 1.00 0.00 C ATOM 154 O PRO A 10 -14.164 2.863 8.138 1.00 0.00 O ATOM 155 CB PRO A 10 -13.934 4.193 11.102 1.00 0.00 C ATOM 156 CG PRO A 10 -14.287 5.449 10.409 1.00 0.00 C ATOM 157 CD PRO A 10 -13.051 5.915 9.713 1.00 0.00 C ATOM 0 HA PRO A 10 -12.186 2.926 10.653 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.813 3.574 11.282 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.475 4.385 12.072 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -15.094 5.284 9.696 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.637 6.198 11.119 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.284 6.517 8.835 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.427 6.527 10.363 1.00 0.00 H new ATOM 165 N VAL A 11 -13.711 1.203 9.533 1.00 0.00 N ATOM 166 CA VAL A 11 -14.389 0.196 8.607 1.00 0.00 C ATOM 167 C VAL A 11 -15.702 0.782 8.056 1.00 0.00 C ATOM 168 O VAL A 11 -15.945 0.748 6.876 1.00 0.00 O ATOM 169 CB VAL A 11 -14.698 -1.114 9.423 1.00 0.00 C ATOM 170 CG1 VAL A 11 -16.011 -0.997 10.199 1.00 0.00 C ATOM 171 CG2 VAL A 11 -14.836 -2.297 8.459 1.00 0.00 C ATOM 0 H VAL A 11 -13.319 0.815 10.391 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.729 -0.031 7.770 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.876 -1.263 10.123 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -16.191 -1.920 10.750 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.947 -0.163 10.898 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -16.831 -0.824 9.502 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -15.050 -3.204 9.024 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -15.650 -2.104 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -13.906 -2.426 7.905 1.00 0.00 H new ATOM 181 N SER A 12 -16.550 1.299 8.911 1.00 0.00 N ATOM 182 CA SER A 12 -17.855 1.873 8.451 1.00 0.00 C ATOM 183 C SER A 12 -17.638 2.986 7.427 1.00 0.00 C ATOM 184 O SER A 12 -18.337 3.064 6.438 1.00 0.00 O ATOM 185 CB SER A 12 -18.516 2.410 9.718 1.00 0.00 C ATOM 186 OG SER A 12 -18.158 1.583 10.818 1.00 0.00 O ATOM 0 H SER A 12 -16.393 1.349 9.918 1.00 0.00 H new ATOM 0 HA SER A 12 -18.475 1.128 7.952 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.199 3.437 9.901 1.00 0.00 H new ATOM 0 HB3 SER A 12 -19.599 2.428 9.598 1.00 0.00 H new ATOM 0 HG SER A 12 -18.579 1.925 11.635 1.00 0.00 H new ATOM 192 N GLU A 13 -16.675 3.848 7.633 1.00 0.00 N ATOM 193 CA GLU A 13 -16.471 4.911 6.616 1.00 0.00 C ATOM 194 C GLU A 13 -15.931 4.244 5.348 1.00 0.00 C ATOM 195 O GLU A 13 -16.181 4.696 4.248 1.00 0.00 O ATOM 196 CB GLU A 13 -15.466 5.909 7.203 1.00 0.00 C ATOM 197 CG GLU A 13 -16.225 7.020 7.933 1.00 0.00 C ATOM 198 CD GLU A 13 -16.973 6.438 9.134 1.00 0.00 C ATOM 199 OE1 GLU A 13 -17.806 5.571 8.925 1.00 0.00 O ATOM 200 OE2 GLU A 13 -16.700 6.869 10.242 1.00 0.00 O ATOM 0 H GLU A 13 -16.043 3.861 8.434 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.390 5.439 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.791 5.401 7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.851 6.333 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.529 7.790 8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.929 7.499 7.253 1.00 0.00 H new ATOM 207 N LEU A 14 -15.240 3.131 5.479 1.00 0.00 N ATOM 208 CA LEU A 14 -14.760 2.420 4.262 1.00 0.00 C ATOM 209 C LEU A 14 -15.976 1.822 3.525 1.00 0.00 C ATOM 210 O LEU A 14 -16.075 1.922 2.318 1.00 0.00 O ATOM 211 CB LEU A 14 -13.836 1.312 4.798 1.00 0.00 C ATOM 212 CG LEU A 14 -12.338 1.695 4.713 1.00 0.00 C ATOM 213 CD1 LEU A 14 -12.137 3.157 4.308 1.00 0.00 C ATOM 214 CD2 LEU A 14 -11.690 1.479 6.083 1.00 0.00 C ATOM 0 H LEU A 14 -14.994 2.695 6.368 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.237 3.066 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.095 1.098 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.006 0.396 4.232 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.879 1.065 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.071 3.378 4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.586 3.329 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.611 3.807 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.634 1.746 6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.188 2.105 6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.786 0.432 6.370 1.00 0.00 H new ATOM 226 N ILE A 15 -16.926 1.219 4.230 1.00 0.00 N ATOM 227 CA ILE A 15 -18.103 0.676 3.489 1.00 0.00 C ATOM 228 C ILE A 15 -18.878 1.848 2.876 1.00 0.00 C ATOM 229 O ILE A 15 -19.325 1.761 1.762 1.00 0.00 O ATOM 230 CB ILE A 15 -18.998 -0.130 4.462 1.00 0.00 C ATOM 231 CG1 ILE A 15 -18.376 -1.506 4.711 1.00 0.00 C ATOM 232 CG2 ILE A 15 -20.356 -0.299 3.819 1.00 0.00 C ATOM 233 CD1 ILE A 15 -17.886 -1.589 6.157 1.00 0.00 C ATOM 0 H ILE A 15 -16.930 1.089 5.242 1.00 0.00 H new ATOM 0 HA ILE A 15 -17.778 0.008 2.692 1.00 0.00 H new ATOM 0 HB ILE A 15 -19.090 0.394 5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.110 -2.289 4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -17.546 -1.671 4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.006 -0.865 4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -20.794 0.681 3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.248 -0.835 2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.443 -2.569 6.335 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -17.139 -0.815 6.333 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -18.727 -1.442 6.835 1.00 0.00 H new ATOM 245 N THR A 16 -19.041 2.955 3.581 1.00 0.00 N ATOM 246 CA THR A 16 -19.780 4.086 2.961 1.00 0.00 C ATOM 247 C THR A 16 -19.005 4.576 1.714 1.00 0.00 C ATOM 248 O THR A 16 -19.592 4.899 0.698 1.00 0.00 O ATOM 249 CB THR A 16 -19.900 5.169 4.060 1.00 0.00 C ATOM 250 OG1 THR A 16 -20.473 4.587 5.223 1.00 0.00 O ATOM 251 CG2 THR A 16 -20.800 6.310 3.575 1.00 0.00 C ATOM 0 H THR A 16 -18.701 3.111 4.530 1.00 0.00 H new ATOM 0 HA THR A 16 -20.775 3.810 2.613 1.00 0.00 H new ATOM 0 HB THR A 16 -18.910 5.564 4.286 1.00 0.00 H new ATOM 0 HG1 THR A 16 -19.768 4.171 5.762 1.00 0.00 H new ATOM 0 HG21 THR A 16 -20.879 7.068 4.355 1.00 0.00 H new ATOM 0 HG22 THR A 16 -20.371 6.756 2.678 1.00 0.00 H new ATOM 0 HG23 THR A 16 -21.792 5.919 3.347 1.00 0.00 H new ATOM 259 N LEU A 17 -17.679 4.592 1.770 1.00 0.00 N ATOM 260 CA LEU A 17 -16.894 5.023 0.574 1.00 0.00 C ATOM 261 C LEU A 17 -17.115 4.002 -0.551 1.00 0.00 C ATOM 262 O LEU A 17 -17.221 4.360 -1.708 1.00 0.00 O ATOM 263 CB LEU A 17 -15.418 5.066 1.015 1.00 0.00 C ATOM 264 CG LEU A 17 -15.058 6.486 1.464 1.00 0.00 C ATOM 265 CD1 LEU A 17 -14.875 6.515 2.983 1.00 0.00 C ATOM 266 CD2 LEU A 17 -13.751 6.918 0.792 1.00 0.00 C ATOM 0 H LEU A 17 -17.125 4.327 2.584 1.00 0.00 H new ATOM 0 HA LEU A 17 -17.199 6.001 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -15.251 4.362 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.773 4.759 0.192 1.00 0.00 H new ATOM 0 HG LEU A 17 -15.861 7.167 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.619 7.526 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.802 6.207 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.074 5.832 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.494 7.928 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.952 6.234 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.875 6.900 -0.291 1.00 0.00 H new ATOM 278 N GLY A 18 -17.219 2.728 -0.224 1.00 0.00 N ATOM 279 CA GLY A 18 -17.476 1.710 -1.314 1.00 0.00 C ATOM 280 C GLY A 18 -18.886 1.945 -1.875 1.00 0.00 C ATOM 281 O GLY A 18 -19.078 1.953 -3.074 1.00 0.00 O ATOM 0 H GLY A 18 -17.140 2.353 0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.732 1.806 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.390 0.699 -0.916 1.00 0.00 H new ATOM 285 N GLU A 19 -19.884 2.158 -1.036 1.00 0.00 N ATOM 286 CA GLU A 19 -21.244 2.410 -1.588 1.00 0.00 C ATOM 287 C GLU A 19 -21.176 3.650 -2.489 1.00 0.00 C ATOM 288 O GLU A 19 -21.791 3.687 -3.537 1.00 0.00 O ATOM 289 CB GLU A 19 -22.182 2.586 -0.361 1.00 0.00 C ATOM 290 CG GLU A 19 -22.167 4.021 0.175 1.00 0.00 C ATOM 291 CD GLU A 19 -23.578 4.606 0.094 1.00 0.00 C ATOM 292 OE1 GLU A 19 -24.517 3.879 0.376 1.00 0.00 O ATOM 293 OE2 GLU A 19 -23.698 5.772 -0.247 1.00 0.00 O ATOM 0 H GLU A 19 -19.810 2.166 -0.019 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.626 1.598 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -23.200 2.315 -0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -21.876 1.901 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -21.815 4.032 1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -21.474 4.631 -0.405 1.00 0.00 H new ATOM 300 N ASN A 20 -20.420 4.664 -2.121 1.00 0.00 N ATOM 301 CA ASN A 20 -20.338 5.851 -3.024 1.00 0.00 C ATOM 302 C ASN A 20 -19.742 5.422 -4.377 1.00 0.00 C ATOM 303 O ASN A 20 -20.021 6.009 -5.404 1.00 0.00 O ATOM 304 CB ASN A 20 -19.423 6.923 -2.363 1.00 0.00 C ATOM 305 CG ASN A 20 -19.895 7.236 -0.935 1.00 0.00 C ATOM 306 OD1 ASN A 20 -19.161 7.042 0.011 1.00 0.00 O ATOM 307 ND2 ASN A 20 -21.090 7.742 -0.739 1.00 0.00 N ATOM 0 H ASN A 20 -19.874 4.718 -1.261 1.00 0.00 H new ATOM 0 HA ASN A 20 -21.332 6.267 -3.186 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -18.394 6.565 -2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -19.431 7.834 -2.962 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -21.398 7.971 0.206 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -21.710 7.907 -1.532 1.00 0.00 H new ATOM 314 N MET A 21 -18.918 4.403 -4.377 1.00 0.00 N ATOM 315 CA MET A 21 -18.288 3.927 -5.649 1.00 0.00 C ATOM 316 C MET A 21 -18.994 2.666 -6.180 1.00 0.00 C ATOM 317 O MET A 21 -18.490 2.009 -7.068 1.00 0.00 O ATOM 318 CB MET A 21 -16.828 3.601 -5.279 1.00 0.00 C ATOM 319 CG MET A 21 -16.171 4.846 -4.677 1.00 0.00 C ATOM 320 SD MET A 21 -14.385 4.782 -4.957 1.00 0.00 S ATOM 321 CE MET A 21 -14.459 4.566 -6.749 1.00 0.00 C ATOM 0 H MET A 21 -18.653 3.877 -3.545 1.00 0.00 H new ATOM 0 HA MET A 21 -18.360 4.679 -6.435 1.00 0.00 H new ATOM 0 HB2 MET A 21 -16.796 2.778 -4.566 1.00 0.00 H new ATOM 0 HB3 MET A 21 -16.280 3.278 -6.164 1.00 0.00 H new ATOM 0 HG2 MET A 21 -16.589 5.745 -5.130 1.00 0.00 H new ATOM 0 HG3 MET A 21 -16.381 4.900 -3.609 1.00 0.00 H new ATOM 0 HE1 MET A 21 -13.700 5.188 -7.222 1.00 0.00 H new ATOM 0 HE2 MET A 21 -14.277 3.520 -6.997 1.00 0.00 H new ATOM 0 HE3 MET A 21 -15.445 4.859 -7.110 1.00 0.00 H new ATOM 331 N GLY A 22 -20.153 2.315 -5.669 1.00 0.00 N ATOM 332 CA GLY A 22 -20.837 1.093 -6.208 1.00 0.00 C ATOM 333 C GLY A 22 -20.582 -0.133 -5.308 1.00 0.00 C ATOM 334 O GLY A 22 -21.319 -1.097 -5.360 1.00 0.00 O ATOM 0 H GLY A 22 -20.644 2.806 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -21.909 1.276 -6.282 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -20.478 0.888 -7.217 1.00 0.00 H new ATOM 338 N LEU A 23 -19.561 -0.120 -4.479 1.00 0.00 N ATOM 339 CA LEU A 23 -19.315 -1.311 -3.600 1.00 0.00 C ATOM 340 C LEU A 23 -20.273 -1.265 -2.404 1.00 0.00 C ATOM 341 O LEU A 23 -19.991 -0.654 -1.393 1.00 0.00 O ATOM 342 CB LEU A 23 -17.853 -1.210 -3.107 1.00 0.00 C ATOM 343 CG LEU A 23 -16.927 -1.006 -4.314 1.00 0.00 C ATOM 344 CD1 LEU A 23 -16.665 0.483 -4.504 1.00 0.00 C ATOM 345 CD2 LEU A 23 -15.591 -1.722 -4.085 1.00 0.00 C ATOM 0 H LEU A 23 -18.899 0.649 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 23 -19.480 -2.244 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -17.749 -0.380 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -17.575 -2.116 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 23 -17.408 -1.418 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -16.007 0.630 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -17.609 0.999 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -16.191 0.886 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.944 -1.569 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.110 -1.318 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -15.769 -2.789 -3.949 1.00 0.00 H new ATOM 357 N GLU A 24 -21.407 -1.899 -2.514 1.00 0.00 N ATOM 358 CA GLU A 24 -22.385 -1.905 -1.393 1.00 0.00 C ATOM 359 C GLU A 24 -22.390 -3.284 -0.731 1.00 0.00 C ATOM 360 O GLU A 24 -21.693 -4.193 -1.133 1.00 0.00 O ATOM 361 CB GLU A 24 -23.756 -1.612 -2.056 1.00 0.00 C ATOM 362 CG GLU A 24 -24.337 -2.916 -2.663 1.00 0.00 C ATOM 363 CD GLU A 24 -25.231 -2.564 -3.852 1.00 0.00 C ATOM 364 OE1 GLU A 24 -26.383 -2.233 -3.625 1.00 0.00 O ATOM 365 OE2 GLU A 24 -24.750 -2.632 -4.971 1.00 0.00 O ATOM 0 H GLU A 24 -21.700 -2.418 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 24 -22.148 -1.174 -0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -24.447 -1.204 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -23.640 -0.858 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -23.529 -3.574 -2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -24.910 -3.458 -1.910 1.00 0.00 H new ATOM 372 N ASN A 25 -23.194 -3.429 0.269 1.00 0.00 N ATOM 373 CA ASN A 25 -23.303 -4.751 0.990 1.00 0.00 C ATOM 374 C ASN A 25 -21.994 -5.119 1.719 1.00 0.00 C ATOM 375 O ASN A 25 -21.802 -6.245 2.132 1.00 0.00 O ATOM 376 CB ASN A 25 -23.585 -5.774 -0.124 1.00 0.00 C ATOM 377 CG ASN A 25 -24.952 -6.420 0.111 1.00 0.00 C ATOM 378 OD1 ASN A 25 -25.672 -6.706 -0.825 1.00 0.00 O ATOM 379 ND2 ASN A 25 -25.344 -6.668 1.333 1.00 0.00 N ATOM 0 H ASN A 25 -23.795 -2.691 0.636 1.00 0.00 H new ATOM 0 HA ASN A 25 -24.078 -4.722 1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -23.565 -5.283 -1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -22.807 -6.538 -0.137 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -26.253 -7.101 1.499 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -24.741 -6.429 2.120 1.00 0.00 H new ATOM 386 N LEU A 26 -21.101 -4.187 1.874 1.00 0.00 N ATOM 387 CA LEU A 26 -19.804 -4.482 2.572 1.00 0.00 C ATOM 388 C LEU A 26 -19.984 -4.545 4.099 1.00 0.00 C ATOM 389 O LEU A 26 -19.066 -4.892 4.814 1.00 0.00 O ATOM 390 CB LEU A 26 -18.834 -3.345 2.219 1.00 0.00 C ATOM 391 CG LEU A 26 -18.303 -3.559 0.790 1.00 0.00 C ATOM 392 CD1 LEU A 26 -18.703 -2.383 -0.094 1.00 0.00 C ATOM 393 CD2 LEU A 26 -16.774 -3.672 0.799 1.00 0.00 C ATOM 0 H LEU A 26 -21.206 -3.226 1.549 1.00 0.00 H new ATOM 0 HA LEU A 26 -19.426 -5.452 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.341 -2.383 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.006 -3.323 2.928 1.00 0.00 H new ATOM 0 HG LEU A 26 -18.733 -4.481 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.324 -2.541 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.790 -2.303 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.282 -1.463 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.414 -3.823 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.344 -2.756 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.475 -4.518 1.419 1.00 0.00 H new ATOM 405 N ALA A 27 -21.139 -4.202 4.619 1.00 0.00 N ATOM 406 CA ALA A 27 -21.311 -4.244 6.102 1.00 0.00 C ATOM 407 C ALA A 27 -20.761 -5.560 6.629 1.00 0.00 C ATOM 408 O ALA A 27 -20.204 -5.635 7.705 1.00 0.00 O ATOM 409 CB ALA A 27 -22.821 -4.145 6.356 1.00 0.00 C ATOM 0 H ALA A 27 -21.956 -3.900 4.089 1.00 0.00 H new ATOM 0 HA ALA A 27 -20.780 -3.436 6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -23.012 -4.171 7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -23.199 -3.210 5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -23.326 -4.984 5.877 1.00 0.00 H new ATOM 415 N ARG A 28 -20.916 -6.596 5.868 1.00 0.00 N ATOM 416 CA ARG A 28 -20.401 -7.926 6.303 1.00 0.00 C ATOM 417 C ARG A 28 -18.892 -8.083 5.994 1.00 0.00 C ATOM 418 O ARG A 28 -18.317 -9.125 6.235 1.00 0.00 O ATOM 419 CB ARG A 28 -21.214 -8.933 5.490 1.00 0.00 C ATOM 420 CG ARG A 28 -22.690 -8.865 5.897 1.00 0.00 C ATOM 421 CD ARG A 28 -22.809 -8.822 7.422 1.00 0.00 C ATOM 422 NE ARG A 28 -24.273 -8.848 7.690 1.00 0.00 N ATOM 423 CZ ARG A 28 -25.051 -7.949 7.150 1.00 0.00 C ATOM 424 NH1 ARG A 28 -25.449 -8.087 5.915 1.00 0.00 N ATOM 425 NH2 ARG A 28 -25.429 -6.910 7.844 1.00 0.00 N ATOM 0 H ARG A 28 -21.378 -6.586 4.959 1.00 0.00 H new ATOM 0 HA ARG A 28 -20.503 -8.065 7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -21.112 -8.721 4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -20.829 -9.940 5.653 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -23.156 -7.981 5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -23.224 -9.731 5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -22.307 -9.673 7.882 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -22.348 -7.922 7.830 1.00 0.00 H new ATOM 0 HE ARG A 28 -24.668 -9.568 8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -25.152 -8.897 5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -26.057 -7.385 5.494 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -25.117 -6.800 8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -26.037 -6.208 7.422 1.00 0.00 H new ATOM 439 N MET A 29 -18.253 -7.078 5.440 1.00 0.00 N ATOM 440 CA MET A 29 -16.822 -7.182 5.094 1.00 0.00 C ATOM 441 C MET A 29 -15.927 -6.488 6.128 1.00 0.00 C ATOM 442 O MET A 29 -16.359 -5.616 6.856 1.00 0.00 O ATOM 443 CB MET A 29 -16.746 -6.447 3.772 1.00 0.00 C ATOM 444 CG MET A 29 -17.485 -7.273 2.730 1.00 0.00 C ATOM 445 SD MET A 29 -16.726 -7.030 1.113 1.00 0.00 S ATOM 446 CE MET A 29 -15.054 -7.421 1.657 1.00 0.00 C ATOM 0 H MET A 29 -18.681 -6.180 5.214 1.00 0.00 H new ATOM 0 HA MET A 29 -16.478 -8.216 5.057 1.00 0.00 H new ATOM 0 HB2 MET A 29 -17.193 -5.457 3.860 1.00 0.00 H new ATOM 0 HB3 MET A 29 -15.707 -6.302 3.476 1.00 0.00 H new ATOM 0 HG2 MET A 29 -17.456 -8.328 3.001 1.00 0.00 H new ATOM 0 HG3 MET A 29 -18.535 -6.981 2.698 1.00 0.00 H new ATOM 0 HE1 MET A 29 -14.583 -8.087 0.935 1.00 0.00 H new ATOM 0 HE2 MET A 29 -14.473 -6.502 1.736 1.00 0.00 H new ATOM 0 HE3 MET A 29 -15.093 -7.910 2.630 1.00 0.00 H new ATOM 456 N ARG A 30 -14.674 -6.849 6.166 1.00 0.00 N ATOM 457 CA ARG A 30 -13.717 -6.199 7.118 1.00 0.00 C ATOM 458 C ARG A 30 -13.050 -4.964 6.478 1.00 0.00 C ATOM 459 O ARG A 30 -13.219 -4.675 5.314 1.00 0.00 O ATOM 460 CB ARG A 30 -12.668 -7.269 7.423 1.00 0.00 C ATOM 461 CG ARG A 30 -12.202 -7.124 8.873 1.00 0.00 C ATOM 462 CD ARG A 30 -11.807 -8.496 9.423 1.00 0.00 C ATOM 463 NE ARG A 30 -13.093 -9.231 9.576 1.00 0.00 N ATOM 464 CZ ARG A 30 -13.162 -10.268 10.364 1.00 0.00 C ATOM 465 NH1 ARG A 30 -13.417 -10.106 11.635 1.00 0.00 N ATOM 466 NH2 ARG A 30 -12.977 -11.465 9.883 1.00 0.00 N ATOM 0 H ARG A 30 -14.265 -7.572 5.575 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.224 -5.847 8.017 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.088 -8.262 7.262 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.821 -7.167 6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.354 -6.441 8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.998 -6.693 9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.133 -9.016 8.742 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.288 -8.405 10.377 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.920 -8.923 9.064 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.562 -9.169 12.011 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.471 -10.917 12.252 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.778 -11.591 8.890 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.031 -12.276 10.499 1.00 0.00 H new ATOM 480 N LYS A 31 -12.287 -4.244 7.261 1.00 0.00 N ATOM 481 CA LYS A 31 -11.590 -3.020 6.756 1.00 0.00 C ATOM 482 C LYS A 31 -10.594 -3.366 5.635 1.00 0.00 C ATOM 483 O LYS A 31 -10.468 -2.637 4.679 1.00 0.00 O ATOM 484 CB LYS A 31 -10.822 -2.492 7.971 1.00 0.00 C ATOM 485 CG LYS A 31 -11.802 -1.964 9.020 1.00 0.00 C ATOM 486 CD LYS A 31 -11.098 -1.875 10.376 1.00 0.00 C ATOM 487 CE LYS A 31 -10.755 -0.414 10.683 1.00 0.00 C ATOM 488 NZ LYS A 31 -11.522 -0.092 11.919 1.00 0.00 N ATOM 0 H LYS A 31 -12.115 -4.455 8.244 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.295 -2.300 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.211 -3.287 8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.142 -1.698 7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.173 -0.982 8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.667 -2.624 9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.741 -2.280 11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.190 -2.478 10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.684 -0.284 10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.040 0.240 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.477 0.931 12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.514 -0.378 11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.111 -0.604 12.726 1.00 0.00 H new ATOM 502 N GLN A 32 -9.877 -4.458 5.767 1.00 0.00 N ATOM 503 CA GLN A 32 -8.851 -4.847 4.709 1.00 0.00 C ATOM 504 C GLN A 32 -9.538 -5.167 3.371 1.00 0.00 C ATOM 505 O GLN A 32 -9.201 -4.632 2.333 1.00 0.00 O ATOM 506 CB GLN A 32 -8.064 -6.128 5.169 1.00 0.00 C ATOM 507 CG GLN A 32 -8.144 -6.400 6.699 1.00 0.00 C ATOM 508 CD GLN A 32 -7.395 -5.296 7.454 1.00 0.00 C ATOM 509 OE1 GLN A 32 -7.966 -4.278 7.789 1.00 0.00 O ATOM 510 NE2 GLN A 32 -6.125 -5.458 7.737 1.00 0.00 N ATOM 0 H GLN A 32 -9.948 -5.103 6.554 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.171 -4.005 4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.455 -6.994 4.635 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.018 -6.022 4.883 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.185 -6.432 7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.709 -7.373 6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.645 -6.313 7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.617 -4.729 8.238 1.00 0.00 H new ATOM 519 N ASP A 33 -10.477 -6.068 3.384 1.00 0.00 N ATOM 520 CA ASP A 33 -11.164 -6.451 2.132 1.00 0.00 C ATOM 521 C ASP A 33 -11.965 -5.255 1.609 1.00 0.00 C ATOM 522 O ASP A 33 -11.946 -4.974 0.427 1.00 0.00 O ATOM 523 CB ASP A 33 -12.049 -7.624 2.534 1.00 0.00 C ATOM 524 CG ASP A 33 -12.882 -7.254 3.762 1.00 0.00 C ATOM 525 OD1 ASP A 33 -13.655 -6.318 3.672 1.00 0.00 O ATOM 526 OD2 ASP A 33 -12.729 -7.915 4.776 1.00 0.00 O ATOM 0 H ASP A 33 -10.798 -6.558 4.219 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.491 -6.735 1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.706 -7.895 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.433 -8.497 2.751 1.00 0.00 H new ATOM 531 N ILE A 34 -12.643 -4.511 2.457 1.00 0.00 N ATOM 532 CA ILE A 34 -13.373 -3.333 1.927 1.00 0.00 C ATOM 533 C ILE A 34 -12.363 -2.335 1.306 1.00 0.00 C ATOM 534 O ILE A 34 -12.624 -1.777 0.260 1.00 0.00 O ATOM 535 CB ILE A 34 -14.084 -2.731 3.142 1.00 0.00 C ATOM 536 CG1 ILE A 34 -15.320 -3.563 3.475 1.00 0.00 C ATOM 537 CG2 ILE A 34 -14.517 -1.307 2.825 1.00 0.00 C ATOM 538 CD1 ILE A 34 -15.574 -3.525 4.983 1.00 0.00 C ATOM 0 H ILE A 34 -12.716 -4.669 3.462 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.084 -3.588 1.141 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.401 -2.728 3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.187 -3.175 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -15.177 -4.592 3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -15.023 -0.879 3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.641 -0.706 2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -15.198 -1.315 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -16.457 -4.120 5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.711 -3.934 5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.736 -2.494 5.299 1.00 0.00 H new ATOM 550 N ILE A 35 -11.200 -2.114 1.907 1.00 0.00 N ATOM 551 CA ILE A 35 -10.220 -1.161 1.262 1.00 0.00 C ATOM 552 C ILE A 35 -9.700 -1.772 -0.054 1.00 0.00 C ATOM 553 O ILE A 35 -9.454 -1.068 -1.015 1.00 0.00 O ATOM 554 CB ILE A 35 -9.049 -0.906 2.260 1.00 0.00 C ATOM 555 CG1 ILE A 35 -7.964 -0.101 1.539 1.00 0.00 C ATOM 556 CG2 ILE A 35 -8.435 -2.231 2.739 1.00 0.00 C ATOM 557 CD1 ILE A 35 -6.635 -0.276 2.270 1.00 0.00 C ATOM 0 H ILE A 35 -10.897 -2.537 2.785 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.703 -0.212 1.028 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.435 -0.365 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.871 -0.438 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.238 0.953 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.621 -2.025 3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.198 -2.825 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.050 -2.784 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.861 0.296 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.734 0.082 3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.361 -1.331 2.279 1.00 0.00 H new ATOM 569 N PHE A 36 -9.540 -3.074 -0.123 1.00 0.00 N ATOM 570 CA PHE A 36 -9.059 -3.681 -1.397 1.00 0.00 C ATOM 571 C PHE A 36 -10.136 -3.481 -2.490 1.00 0.00 C ATOM 572 O PHE A 36 -9.822 -3.098 -3.599 1.00 0.00 O ATOM 573 CB PHE A 36 -8.838 -5.160 -1.086 1.00 0.00 C ATOM 574 CG PHE A 36 -7.507 -5.337 -0.398 1.00 0.00 C ATOM 575 CD1 PHE A 36 -6.339 -4.852 -0.997 1.00 0.00 C ATOM 576 CD2 PHE A 36 -7.441 -5.990 0.838 1.00 0.00 C ATOM 577 CE1 PHE A 36 -5.105 -5.020 -0.360 1.00 0.00 C ATOM 578 CE2 PHE A 36 -6.206 -6.159 1.475 1.00 0.00 C ATOM 579 CZ PHE A 36 -5.038 -5.674 0.875 1.00 0.00 C ATOM 0 H PHE A 36 -9.720 -3.730 0.637 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.140 -3.227 -1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.641 -5.532 -0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.864 -5.744 -2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.390 -4.348 -1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.343 -6.363 1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.204 -4.645 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.154 -6.663 2.429 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.085 -5.805 1.366 1.00 0.00 H new ATOM 589 N ALA A 37 -11.412 -3.707 -2.189 1.00 0.00 N ATOM 590 CA ALA A 37 -12.469 -3.487 -3.229 1.00 0.00 C ATOM 591 C ALA A 37 -12.555 -1.994 -3.568 1.00 0.00 C ATOM 592 O ALA A 37 -12.445 -1.630 -4.712 1.00 0.00 O ATOM 593 CB ALA A 37 -13.782 -3.989 -2.613 1.00 0.00 C ATOM 0 H ALA A 37 -11.751 -4.028 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.250 -4.017 -4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.594 -3.854 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.687 -5.047 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.998 -3.423 -1.707 1.00 0.00 H new ATOM 599 N ILE A 38 -12.737 -1.109 -2.603 1.00 0.00 N ATOM 600 CA ILE A 38 -12.794 0.344 -3.001 1.00 0.00 C ATOM 601 C ILE A 38 -11.576 0.649 -3.877 1.00 0.00 C ATOM 602 O ILE A 38 -11.691 1.250 -4.902 1.00 0.00 O ATOM 603 CB ILE A 38 -12.743 1.225 -1.741 1.00 0.00 C ATOM 604 CG1 ILE A 38 -13.056 2.660 -2.148 1.00 0.00 C ATOM 605 CG2 ILE A 38 -11.347 1.183 -1.145 1.00 0.00 C ATOM 606 CD1 ILE A 38 -14.542 2.759 -2.465 1.00 0.00 C ATOM 0 H ILE A 38 -12.843 -1.314 -1.609 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.716 0.548 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 38 -13.463 0.864 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -12.794 3.348 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.463 2.945 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.313 1.808 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -11.096 0.156 -0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.628 1.555 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.784 3.780 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.786 2.079 -3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -15.121 2.488 -1.582 1.00 0.00 H new ATOM 618 N LEU A 39 -10.403 0.228 -3.473 1.00 0.00 N ATOM 619 CA LEU A 39 -9.183 0.506 -4.314 1.00 0.00 C ATOM 620 C LEU A 39 -9.368 -0.104 -5.710 1.00 0.00 C ATOM 621 O LEU A 39 -9.019 0.488 -6.712 1.00 0.00 O ATOM 622 CB LEU A 39 -8.002 -0.160 -3.589 1.00 0.00 C ATOM 623 CG LEU A 39 -7.621 0.671 -2.363 1.00 0.00 C ATOM 624 CD1 LEU A 39 -6.671 -0.133 -1.470 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.920 1.953 -2.820 1.00 0.00 C ATOM 0 H LEU A 39 -10.232 -0.289 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.013 1.575 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.271 -1.172 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.149 -0.245 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.521 0.922 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.401 0.462 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.164 -1.049 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.770 -0.384 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.647 2.549 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.021 1.696 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.592 2.528 -3.456 1.00 0.00 H new ATOM 637 N LYS A 40 -9.933 -1.277 -5.777 1.00 0.00 N ATOM 638 CA LYS A 40 -10.172 -1.941 -7.097 1.00 0.00 C ATOM 639 C LYS A 40 -11.148 -1.106 -7.933 1.00 0.00 C ATOM 640 O LYS A 40 -11.042 -1.025 -9.141 1.00 0.00 O ATOM 641 CB LYS A 40 -10.815 -3.278 -6.742 1.00 0.00 C ATOM 642 CG LYS A 40 -9.844 -4.415 -7.073 1.00 0.00 C ATOM 643 CD LYS A 40 -10.588 -5.518 -7.830 1.00 0.00 C ATOM 644 CE LYS A 40 -9.618 -6.657 -8.154 1.00 0.00 C ATOM 645 NZ LYS A 40 -8.907 -6.220 -9.388 1.00 0.00 N ATOM 0 H LYS A 40 -10.244 -1.813 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.256 -2.055 -7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.071 -3.301 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.744 -3.406 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.018 -4.038 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.411 -4.816 -6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.417 -5.892 -7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.016 -5.118 -8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.919 -6.825 -7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.150 -7.594 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.093 -6.898 -10.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.247 -5.278 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.884 -6.178 -9.203 1.00 0.00 H new ATOM 659 N GLN A 41 -12.106 -0.496 -7.288 1.00 0.00 N ATOM 660 CA GLN A 41 -13.113 0.331 -8.028 1.00 0.00 C ATOM 661 C GLN A 41 -12.531 1.693 -8.414 1.00 0.00 C ATOM 662 O GLN A 41 -12.581 2.086 -9.563 1.00 0.00 O ATOM 663 CB GLN A 41 -14.288 0.512 -7.063 1.00 0.00 C ATOM 664 CG GLN A 41 -15.345 -0.556 -7.348 1.00 0.00 C ATOM 665 CD GLN A 41 -16.221 -0.107 -8.520 1.00 0.00 C ATOM 666 OE1 GLN A 41 -16.841 0.937 -8.464 1.00 0.00 O ATOM 667 NE2 GLN A 41 -16.300 -0.855 -9.587 1.00 0.00 N ATOM 0 H GLN A 41 -12.238 -0.533 -6.277 1.00 0.00 H new ATOM 0 HA GLN A 41 -13.416 -0.154 -8.956 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.943 0.432 -6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.719 1.507 -7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.864 -1.506 -7.583 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -15.959 -0.720 -6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -15.780 -1.731 -9.635 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -16.882 -0.563 -10.373 1.00 0.00 H new ATOM 676 N HIS A 42 -11.976 2.422 -7.480 1.00 0.00 N ATOM 677 CA HIS A 42 -11.402 3.765 -7.864 1.00 0.00 C ATOM 678 C HIS A 42 -10.266 3.542 -8.875 1.00 0.00 C ATOM 679 O HIS A 42 -10.081 4.318 -9.790 1.00 0.00 O ATOM 680 CB HIS A 42 -10.895 4.450 -6.568 1.00 0.00 C ATOM 681 CG HIS A 42 -10.829 5.938 -6.783 1.00 0.00 C ATOM 682 ND1 HIS A 42 -11.952 6.751 -6.715 1.00 0.00 N ATOM 683 CD2 HIS A 42 -9.776 6.777 -7.053 1.00 0.00 C ATOM 684 CE1 HIS A 42 -11.552 8.015 -6.940 1.00 0.00 C ATOM 685 NE2 HIS A 42 -10.235 8.087 -7.151 1.00 0.00 N ATOM 0 H HIS A 42 -11.892 2.165 -6.497 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.146 4.408 -8.333 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -11.562 4.221 -5.737 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.910 4.066 -6.302 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -8.748 6.467 -7.171 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -12.215 8.868 -6.949 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -9.684 8.923 -7.343 1.00 0.00 H new ATOM 693 N ALA A 43 -9.527 2.465 -8.743 1.00 0.00 N ATOM 694 CA ALA A 43 -8.445 2.180 -9.723 1.00 0.00 C ATOM 695 C ALA A 43 -9.080 1.947 -11.091 1.00 0.00 C ATOM 696 O ALA A 43 -8.620 2.458 -12.090 1.00 0.00 O ATOM 697 CB ALA A 43 -7.748 0.911 -9.234 1.00 0.00 C ATOM 0 H ALA A 43 -9.631 1.776 -7.998 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.732 3.000 -9.808 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.940 0.653 -9.919 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.339 1.081 -8.238 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.467 0.093 -9.196 1.00 0.00 H new ATOM 703 N LYS A 44 -10.154 1.198 -11.148 1.00 0.00 N ATOM 704 CA LYS A 44 -10.827 0.976 -12.452 1.00 0.00 C ATOM 705 C LYS A 44 -11.004 2.307 -13.154 1.00 0.00 C ATOM 706 O LYS A 44 -10.755 2.453 -14.333 1.00 0.00 O ATOM 707 CB LYS A 44 -12.179 0.430 -12.073 1.00 0.00 C ATOM 708 CG LYS A 44 -12.426 -0.904 -12.781 1.00 0.00 C ATOM 709 CD LYS A 44 -12.234 -2.054 -11.790 1.00 0.00 C ATOM 710 CE LYS A 44 -12.785 -3.347 -12.394 1.00 0.00 C ATOM 711 NZ LYS A 44 -12.573 -4.381 -11.346 1.00 0.00 N ATOM 0 H LYS A 44 -10.587 0.736 -10.349 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.270 0.314 -13.115 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.235 0.293 -10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.957 1.144 -12.344 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.436 -0.928 -13.191 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.739 -1.015 -13.620 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.176 -2.172 -11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.746 -1.831 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.842 -3.248 -12.643 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.264 -3.606 -13.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.926 -5.298 -11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.558 -4.458 -11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.087 -4.111 -10.483 1.00 0.00 H new ATOM 725 N SER A 45 -11.437 3.282 -12.417 1.00 0.00 N ATOM 726 CA SER A 45 -11.638 4.629 -13.015 1.00 0.00 C ATOM 727 C SER A 45 -10.290 5.220 -13.418 1.00 0.00 C ATOM 728 O SER A 45 -10.211 6.235 -14.081 1.00 0.00 O ATOM 729 CB SER A 45 -12.254 5.471 -11.912 1.00 0.00 C ATOM 730 OG SER A 45 -13.539 4.959 -11.584 1.00 0.00 O ATOM 0 H SER A 45 -11.662 3.208 -11.425 1.00 0.00 H new ATOM 0 HA SER A 45 -12.268 4.592 -13.904 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.612 5.462 -11.031 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.336 6.509 -12.235 1.00 0.00 H new ATOM 0 HG SER A 45 -13.935 5.502 -10.871 1.00 0.00 H new ATOM 736 N GLY A 46 -9.229 4.570 -13.042 1.00 0.00 N ATOM 737 CA GLY A 46 -7.872 5.067 -13.424 1.00 0.00 C ATOM 738 C GLY A 46 -7.477 6.319 -12.616 1.00 0.00 C ATOM 739 O GLY A 46 -6.719 7.142 -13.091 1.00 0.00 O ATOM 0 H GLY A 46 -9.237 3.715 -12.486 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.136 4.280 -13.259 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.856 5.300 -14.489 1.00 0.00 H new ATOM 743 N GLU A 47 -7.949 6.479 -11.401 1.00 0.00 N ATOM 744 CA GLU A 47 -7.544 7.680 -10.614 1.00 0.00 C ATOM 745 C GLU A 47 -6.149 7.441 -10.031 1.00 0.00 C ATOM 746 O GLU A 47 -5.650 6.333 -10.036 1.00 0.00 O ATOM 747 CB GLU A 47 -8.580 7.801 -9.490 1.00 0.00 C ATOM 748 CG GLU A 47 -9.634 8.845 -9.871 1.00 0.00 C ATOM 749 CD GLU A 47 -10.096 8.611 -11.313 1.00 0.00 C ATOM 750 OE1 GLU A 47 -9.357 8.966 -12.217 1.00 0.00 O ATOM 751 OE2 GLU A 47 -11.182 8.083 -11.487 1.00 0.00 O ATOM 0 H GLU A 47 -8.587 5.838 -10.929 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.507 8.587 -11.217 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.056 6.836 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.090 8.088 -8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.484 8.782 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.219 9.848 -9.770 1.00 0.00 H new ATOM 758 N ASP A 48 -5.512 8.462 -9.534 1.00 0.00 N ATOM 759 CA ASP A 48 -4.157 8.275 -8.964 1.00 0.00 C ATOM 760 C ASP A 48 -4.270 7.843 -7.493 1.00 0.00 C ATOM 761 O ASP A 48 -5.136 8.304 -6.774 1.00 0.00 O ATOM 762 CB ASP A 48 -3.480 9.654 -9.071 1.00 0.00 C ATOM 763 CG ASP A 48 -2.862 9.810 -10.460 1.00 0.00 C ATOM 764 OD1 ASP A 48 -2.894 8.850 -11.213 1.00 0.00 O ATOM 765 OD2 ASP A 48 -2.367 10.887 -10.749 1.00 0.00 O ATOM 0 H ASP A 48 -5.873 9.415 -9.499 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.588 7.506 -9.486 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.210 10.444 -8.895 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.711 9.754 -8.305 1.00 0.00 H new ATOM 770 N ILE A 49 -3.408 6.975 -7.029 1.00 0.00 N ATOM 771 CA ILE A 49 -3.481 6.541 -5.604 1.00 0.00 C ATOM 772 C ILE A 49 -2.076 6.212 -5.130 1.00 0.00 C ATOM 773 O ILE A 49 -1.254 5.778 -5.912 1.00 0.00 O ATOM 774 CB ILE A 49 -4.358 5.279 -5.608 1.00 0.00 C ATOM 775 CG1 ILE A 49 -3.527 4.087 -6.139 1.00 0.00 C ATOM 776 CG2 ILE A 49 -5.587 5.508 -6.497 1.00 0.00 C ATOM 777 CD1 ILE A 49 -4.410 3.079 -6.893 1.00 0.00 C ATOM 0 H ILE A 49 -2.659 6.550 -7.575 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.893 7.304 -4.944 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.696 5.059 -4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.744 4.454 -6.802 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.031 3.587 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.207 4.612 -6.498 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.164 6.348 -6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.264 5.727 -7.515 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.795 2.254 -7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.177 2.694 -6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.885 3.574 -7.740 1.00 0.00 H new ATOM 789 N PHE A 50 -1.750 6.418 -3.884 1.00 0.00 N ATOM 790 CA PHE A 50 -0.361 6.095 -3.514 1.00 0.00 C ATOM 791 C PHE A 50 -0.205 5.449 -2.134 1.00 0.00 C ATOM 792 O PHE A 50 -1.102 5.448 -1.316 1.00 0.00 O ATOM 793 CB PHE A 50 0.384 7.435 -3.641 1.00 0.00 C ATOM 794 CG PHE A 50 -0.388 8.515 -2.965 1.00 0.00 C ATOM 795 CD1 PHE A 50 -1.453 9.117 -3.629 1.00 0.00 C ATOM 796 CD2 PHE A 50 -0.034 8.910 -1.679 1.00 0.00 C ATOM 797 CE1 PHE A 50 -2.179 10.130 -2.998 1.00 0.00 C ATOM 798 CE2 PHE A 50 -0.757 9.920 -1.039 1.00 0.00 C ATOM 799 CZ PHE A 50 -1.834 10.532 -1.699 1.00 0.00 C ATOM 0 H PHE A 50 -2.355 6.777 -3.146 1.00 0.00 H new ATOM 0 HA PHE A 50 0.050 5.325 -4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.376 7.353 -3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.527 7.683 -4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.717 8.802 -4.628 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.797 8.437 -1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.004 10.603 -3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.488 10.229 -0.040 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.397 11.312 -1.207 1.00 0.00 H new ATOM 809 N GLY A 51 0.955 4.870 -1.900 1.00 0.00 N ATOM 810 CA GLY A 51 1.206 4.186 -0.589 1.00 0.00 C ATOM 811 C GLY A 51 2.393 4.880 0.105 1.00 0.00 C ATOM 812 O GLY A 51 3.062 5.703 -0.495 1.00 0.00 O ATOM 0 H GLY A 51 1.734 4.843 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.317 4.236 0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.425 3.130 -0.748 1.00 0.00 H new ATOM 816 N ASP A 52 2.668 4.582 1.366 1.00 0.00 N ATOM 817 CA ASP A 52 3.800 5.271 2.029 1.00 0.00 C ATOM 818 C ASP A 52 4.079 4.628 3.380 1.00 0.00 C ATOM 819 O ASP A 52 3.250 3.922 3.919 1.00 0.00 O ATOM 820 CB ASP A 52 3.301 6.720 2.226 1.00 0.00 C ATOM 821 CG ASP A 52 1.993 6.690 3.017 1.00 0.00 C ATOM 822 OD1 ASP A 52 2.059 6.684 4.234 1.00 0.00 O ATOM 823 OD2 ASP A 52 0.946 6.677 2.390 1.00 0.00 O ATOM 0 H ASP A 52 2.162 3.906 1.939 1.00 0.00 H new ATOM 0 HA ASP A 52 4.722 5.220 1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.050 7.307 2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.146 7.200 1.260 1.00 0.00 H new ATOM 828 N GLY A 53 5.229 4.868 3.951 1.00 0.00 N ATOM 829 CA GLY A 53 5.491 4.243 5.292 1.00 0.00 C ATOM 830 C GLY A 53 6.984 3.970 5.499 1.00 0.00 C ATOM 831 O GLY A 53 7.839 4.734 5.096 1.00 0.00 O ATOM 0 H GLY A 53 5.977 5.447 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.128 4.903 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.934 3.310 5.375 1.00 0.00 H new ATOM 835 N VAL A 54 7.285 2.863 6.134 1.00 0.00 N ATOM 836 CA VAL A 54 8.690 2.490 6.393 1.00 0.00 C ATOM 837 C VAL A 54 8.887 1.056 5.907 1.00 0.00 C ATOM 838 O VAL A 54 8.169 0.160 6.302 1.00 0.00 O ATOM 839 CB VAL A 54 8.866 2.606 7.908 1.00 0.00 C ATOM 840 CG1 VAL A 54 10.353 2.709 8.236 1.00 0.00 C ATOM 841 CG2 VAL A 54 8.163 3.868 8.400 1.00 0.00 C ATOM 0 H VAL A 54 6.596 2.198 6.486 1.00 0.00 H new ATOM 0 HA VAL A 54 9.419 3.119 5.881 1.00 0.00 H new ATOM 0 HB VAL A 54 8.439 1.729 8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.483 2.792 9.315 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.868 1.818 7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.772 3.591 7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.285 3.955 9.480 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.599 4.741 7.914 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.102 3.811 8.159 1.00 0.00 H new ATOM 851 N LEU A 55 9.795 0.832 4.991 1.00 0.00 N ATOM 852 CA LEU A 55 9.927 -0.554 4.439 1.00 0.00 C ATOM 853 C LEU A 55 10.336 -1.604 5.500 1.00 0.00 C ATOM 854 O LEU A 55 10.868 -1.291 6.547 1.00 0.00 O ATOM 855 CB LEU A 55 11.002 -0.509 3.354 1.00 0.00 C ATOM 856 CG LEU A 55 10.332 -0.410 1.983 1.00 0.00 C ATOM 857 CD1 LEU A 55 11.412 -0.420 0.915 1.00 0.00 C ATOM 858 CD2 LEU A 55 9.397 -1.608 1.760 1.00 0.00 C ATOM 0 H LEU A 55 10.436 1.527 4.608 1.00 0.00 H new ATOM 0 HA LEU A 55 8.953 -0.860 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.660 0.346 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.623 -1.403 3.404 1.00 0.00 H new ATOM 0 HG LEU A 55 9.748 0.509 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.950 -0.350 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.079 0.429 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.983 -1.346 0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.927 -1.525 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.972 -2.533 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.628 -1.618 2.532 1.00 0.00 H new ATOM 870 N GLU A 56 10.108 -2.857 5.180 1.00 0.00 N ATOM 871 CA GLU A 56 10.476 -4.008 6.061 1.00 0.00 C ATOM 872 C GLU A 56 11.045 -5.114 5.130 1.00 0.00 C ATOM 873 O GLU A 56 10.326 -5.581 4.254 1.00 0.00 O ATOM 874 CB GLU A 56 9.152 -4.467 6.674 1.00 0.00 C ATOM 875 CG GLU A 56 9.429 -5.281 7.939 1.00 0.00 C ATOM 876 CD GLU A 56 8.317 -6.313 8.139 1.00 0.00 C ATOM 877 OE1 GLU A 56 8.387 -7.358 7.514 1.00 0.00 O ATOM 878 OE2 GLU A 56 7.414 -6.039 8.911 1.00 0.00 O ATOM 0 H GLU A 56 9.663 -3.137 4.306 1.00 0.00 H new ATOM 0 HA GLU A 56 11.207 -3.770 6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.531 -3.603 6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.596 -5.070 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.394 -5.782 7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.485 -4.620 8.804 1.00 0.00 H new ATOM 885 N ILE A 57 12.308 -5.535 5.257 1.00 0.00 N ATOM 886 CA ILE A 57 12.815 -6.579 4.309 1.00 0.00 C ATOM 887 C ILE A 57 12.387 -7.976 4.802 1.00 0.00 C ATOM 888 O ILE A 57 12.066 -8.150 5.960 1.00 0.00 O ATOM 889 CB ILE A 57 14.372 -6.481 4.253 1.00 0.00 C ATOM 890 CG1 ILE A 57 14.812 -4.999 4.241 1.00 0.00 C ATOM 891 CG2 ILE A 57 14.905 -7.184 2.986 1.00 0.00 C ATOM 892 CD1 ILE A 57 14.947 -4.474 2.800 1.00 0.00 C ATOM 0 H ILE A 57 12.975 -5.205 5.954 1.00 0.00 H new ATOM 0 HA ILE A 57 12.401 -6.420 3.313 1.00 0.00 H new ATOM 0 HB ILE A 57 14.781 -6.972 5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.085 -4.396 4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.765 -4.895 4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.992 -7.109 2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.614 -8.234 3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.486 -6.706 2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 57 15.258 -3.429 2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 57 15.692 -5.064 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.987 -4.557 2.291 1.00 0.00 H new ATOM 904 N LEU A 58 12.394 -8.978 3.952 1.00 0.00 N ATOM 905 CA LEU A 58 12.002 -10.343 4.417 1.00 0.00 C ATOM 906 C LEU A 58 13.062 -11.351 3.974 1.00 0.00 C ATOM 907 O LEU A 58 13.516 -11.323 2.848 1.00 0.00 O ATOM 908 CB LEU A 58 10.653 -10.648 3.756 1.00 0.00 C ATOM 909 CG LEU A 58 9.525 -10.173 4.686 1.00 0.00 C ATOM 910 CD1 LEU A 58 9.405 -8.648 4.621 1.00 0.00 C ATOM 911 CD2 LEU A 58 8.196 -10.804 4.262 1.00 0.00 C ATOM 0 H LEU A 58 12.652 -8.909 2.968 1.00 0.00 H new ATOM 0 HA LEU A 58 11.922 -10.401 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.583 -10.145 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.560 -11.717 3.565 1.00 0.00 H new ATOM 0 HG LEU A 58 9.760 -10.476 5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.604 -8.318 5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.345 -8.195 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.180 -8.344 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.402 -10.462 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.964 -10.510 3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.274 -11.890 4.319 1.00 0.00 H new ATOM 923 N GLN A 59 13.464 -12.231 4.853 1.00 0.00 N ATOM 924 CA GLN A 59 14.502 -13.239 4.484 1.00 0.00 C ATOM 925 C GLN A 59 14.276 -13.719 3.054 1.00 0.00 C ATOM 926 O GLN A 59 15.204 -13.987 2.317 1.00 0.00 O ATOM 927 CB GLN A 59 14.313 -14.380 5.489 1.00 0.00 C ATOM 928 CG GLN A 59 15.082 -15.618 5.026 1.00 0.00 C ATOM 929 CD GLN A 59 16.365 -15.756 5.849 1.00 0.00 C ATOM 930 OE1 GLN A 59 17.414 -15.304 5.437 1.00 0.00 O ATOM 931 NE2 GLN A 59 16.324 -16.365 7.002 1.00 0.00 N ATOM 0 H GLN A 59 13.119 -12.296 5.811 1.00 0.00 H new ATOM 0 HA GLN A 59 15.514 -12.837 4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.665 -14.071 6.473 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.254 -14.616 5.589 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.464 -16.508 5.143 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.324 -15.535 3.966 1.00 0.00 H new ATOM 0 HE21 GLN A 59 15.442 -16.744 7.347 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.174 -16.462 7.558 1.00 0.00 H new ATOM 940 N ASP A 60 13.047 -13.839 2.670 1.00 0.00 N ATOM 941 CA ASP A 60 12.735 -14.318 1.283 1.00 0.00 C ATOM 942 C ASP A 60 13.300 -13.387 0.197 1.00 0.00 C ATOM 943 O ASP A 60 13.275 -13.717 -0.972 1.00 0.00 O ATOM 944 CB ASP A 60 11.207 -14.374 1.208 1.00 0.00 C ATOM 945 CG ASP A 60 10.655 -15.031 2.476 1.00 0.00 C ATOM 946 OD1 ASP A 60 10.645 -16.250 2.532 1.00 0.00 O ATOM 947 OD2 ASP A 60 10.252 -14.303 3.368 1.00 0.00 O ATOM 0 H ASP A 60 12.234 -13.629 3.249 1.00 0.00 H new ATOM 0 HA ASP A 60 13.197 -15.288 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.801 -13.368 1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.896 -14.938 0.329 1.00 0.00 H new ATOM 952 N GLY A 61 13.840 -12.255 0.554 1.00 0.00 N ATOM 953 CA GLY A 61 14.434 -11.361 -0.519 1.00 0.00 C ATOM 954 C GLY A 61 13.410 -10.337 -1.060 1.00 0.00 C ATOM 955 O GLY A 61 13.694 -9.626 -2.003 1.00 0.00 O ATOM 0 H GLY A 61 13.903 -11.904 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.295 -10.831 -0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.799 -11.977 -1.341 1.00 0.00 H new ATOM 959 N PHE A 62 12.249 -10.220 -0.470 1.00 0.00 N ATOM 960 CA PHE A 62 11.262 -9.217 -0.941 1.00 0.00 C ATOM 961 C PHE A 62 10.872 -8.427 0.325 1.00 0.00 C ATOM 962 O PHE A 62 11.415 -8.698 1.384 1.00 0.00 O ATOM 963 CB PHE A 62 10.100 -10.041 -1.549 1.00 0.00 C ATOM 964 CG PHE A 62 9.147 -10.475 -0.465 1.00 0.00 C ATOM 965 CD1 PHE A 62 8.235 -9.559 0.061 1.00 0.00 C ATOM 966 CD2 PHE A 62 9.174 -11.792 0.009 1.00 0.00 C ATOM 967 CE1 PHE A 62 7.343 -9.954 1.060 1.00 0.00 C ATOM 968 CE2 PHE A 62 8.282 -12.189 1.012 1.00 0.00 C ATOM 969 CZ PHE A 62 7.366 -11.270 1.537 1.00 0.00 C ATOM 0 H PHE A 62 11.945 -10.783 0.324 1.00 0.00 H new ATOM 0 HA PHE A 62 11.605 -8.511 -1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.570 -9.444 -2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.496 -10.915 -2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.219 -8.543 -0.305 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.881 -12.500 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.636 -9.245 1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.301 -13.204 1.381 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.677 -11.576 2.310 1.00 0.00 H new ATOM 979 N GLY A 63 10.003 -7.452 0.289 1.00 0.00 N ATOM 980 CA GLY A 63 9.734 -6.734 1.553 1.00 0.00 C ATOM 981 C GLY A 63 8.372 -6.026 1.529 1.00 0.00 C ATOM 982 O GLY A 63 7.745 -5.943 0.481 1.00 0.00 O ATOM 0 H GLY A 63 9.488 -7.135 -0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.763 -7.439 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.521 -6.001 1.729 1.00 0.00 H new ATOM 986 N PHE A 64 7.899 -5.459 2.638 1.00 0.00 N ATOM 987 CA PHE A 64 6.603 -4.730 2.555 1.00 0.00 C ATOM 988 C PHE A 64 6.770 -3.320 3.163 1.00 0.00 C ATOM 989 O PHE A 64 7.617 -3.100 4.032 1.00 0.00 O ATOM 990 CB PHE A 64 5.554 -5.488 3.412 1.00 0.00 C ATOM 991 CG PHE A 64 4.781 -6.534 2.625 1.00 0.00 C ATOM 992 CD1 PHE A 64 3.660 -6.170 1.860 1.00 0.00 C ATOM 993 CD2 PHE A 64 5.163 -7.880 2.698 1.00 0.00 C ATOM 994 CE1 PHE A 64 2.932 -7.152 1.170 1.00 0.00 C ATOM 995 CE2 PHE A 64 4.436 -8.859 2.003 1.00 0.00 C ATOM 996 CZ PHE A 64 3.321 -8.498 1.241 1.00 0.00 C ATOM 0 H PHE A 64 8.347 -5.476 3.554 1.00 0.00 H new ATOM 0 HA PHE A 64 6.288 -4.662 1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.059 -5.972 4.248 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.852 -4.769 3.835 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.358 -5.135 1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.020 -8.165 3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.070 -6.871 0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.739 -9.894 2.057 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.761 -9.253 0.709 1.00 0.00 H new ATOM 1006 N LEU A 65 5.966 -2.381 2.734 1.00 0.00 N ATOM 1007 CA LEU A 65 5.993 -0.999 3.282 1.00 0.00 C ATOM 1008 C LEU A 65 4.828 -0.869 4.299 1.00 0.00 C ATOM 1009 O LEU A 65 3.690 -1.119 3.936 1.00 0.00 O ATOM 1010 CB LEU A 65 5.722 -0.121 2.061 1.00 0.00 C ATOM 1011 CG LEU A 65 6.373 1.245 2.249 1.00 0.00 C ATOM 1012 CD1 LEU A 65 7.103 1.642 0.965 1.00 0.00 C ATOM 1013 CD2 LEU A 65 5.288 2.274 2.553 1.00 0.00 C ATOM 0 H LEU A 65 5.270 -2.525 2.002 1.00 0.00 H new ATOM 0 HA LEU A 65 6.922 -0.733 3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.114 -0.600 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.648 -0.005 1.917 1.00 0.00 H new ATOM 0 HG LEU A 65 7.086 1.204 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.569 2.618 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.870 0.902 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.391 1.689 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.744 3.254 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.582 2.314 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.761 1.989 3.464 1.00 0.00 H new ATOM 1025 N ARG A 66 5.049 -0.494 5.551 1.00 0.00 N ATOM 1026 CA ARG A 66 3.890 -0.387 6.483 1.00 0.00 C ATOM 1027 C ARG A 66 3.902 0.978 7.195 1.00 0.00 C ATOM 1028 O ARG A 66 4.653 1.864 6.834 1.00 0.00 O ATOM 1029 CB ARG A 66 4.086 -1.518 7.492 1.00 0.00 C ATOM 1030 CG ARG A 66 5.405 -1.313 8.240 1.00 0.00 C ATOM 1031 CD ARG A 66 5.619 -2.464 9.224 1.00 0.00 C ATOM 1032 NE ARG A 66 4.721 -2.158 10.372 1.00 0.00 N ATOM 1033 CZ ARG A 66 5.227 -1.900 11.547 1.00 0.00 C ATOM 1034 NH1 ARG A 66 5.739 -0.726 11.792 1.00 0.00 N ATOM 1035 NH2 ARG A 66 5.220 -2.817 12.476 1.00 0.00 N ATOM 0 H ARG A 66 5.960 -0.266 5.948 1.00 0.00 H new ATOM 0 HA ARG A 66 2.935 -0.465 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.255 -1.538 8.197 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.092 -2.480 6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.233 -1.267 7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.389 -0.363 8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.368 -3.423 8.771 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.660 -2.524 9.542 1.00 0.00 H new ATOM 0 HE ARG A 66 3.710 -2.150 10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.744 -0.010 11.066 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.135 -0.524 12.710 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.819 -3.735 12.283 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.615 -2.616 13.394 1.00 0.00 H new ATOM 1049 N SER A 67 3.079 1.158 8.207 1.00 0.00 N ATOM 1050 CA SER A 67 3.062 2.472 8.926 1.00 0.00 C ATOM 1051 C SER A 67 4.267 2.586 9.860 1.00 0.00 C ATOM 1052 O SER A 67 5.298 1.983 9.641 1.00 0.00 O ATOM 1053 CB SER A 67 1.764 2.471 9.730 1.00 0.00 C ATOM 1054 OG SER A 67 0.736 1.862 8.962 1.00 0.00 O ATOM 0 H SER A 67 2.426 0.459 8.561 1.00 0.00 H new ATOM 0 HA SER A 67 3.115 3.314 8.236 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.903 1.930 10.666 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.483 3.492 9.990 1.00 0.00 H new ATOM 0 HG SER A 67 -0.098 1.858 9.476 1.00 0.00 H new ATOM 1187 N ASP A 78 1.448 -5.082 4.406 1.00 0.00 N ATOM 1188 CA ASP A 78 0.930 -3.793 3.803 1.00 0.00 C ATOM 1189 C ASP A 78 1.272 -3.684 2.306 1.00 0.00 C ATOM 1190 O ASP A 78 0.773 -4.434 1.491 1.00 0.00 O ATOM 1191 CB ASP A 78 1.614 -2.655 4.587 1.00 0.00 C ATOM 1192 CG ASP A 78 1.076 -2.629 6.010 1.00 0.00 C ATOM 1193 OD1 ASP A 78 0.115 -3.334 6.271 1.00 0.00 O ATOM 1194 OD2 ASP A 78 1.643 -1.917 6.820 1.00 0.00 O ATOM 0 HA ASP A 78 -0.157 -3.747 3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.694 -2.803 4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.428 -1.699 4.098 1.00 0.00 H new ATOM 1199 N ILE A 79 2.085 -2.732 1.936 1.00 0.00 N ATOM 1200 CA ILE A 79 2.417 -2.551 0.471 1.00 0.00 C ATOM 1201 C ILE A 79 3.435 -3.625 0.006 1.00 0.00 C ATOM 1202 O ILE A 79 4.451 -3.799 0.657 1.00 0.00 O ATOM 1203 CB ILE A 79 3.065 -1.146 0.338 1.00 0.00 C ATOM 1204 CG1 ILE A 79 2.336 -0.109 1.214 1.00 0.00 C ATOM 1205 CG2 ILE A 79 3.016 -0.680 -1.121 1.00 0.00 C ATOM 1206 CD1 ILE A 79 0.947 0.193 0.641 1.00 0.00 C ATOM 0 H ILE A 79 2.536 -2.072 2.569 1.00 0.00 H new ATOM 0 HA ILE A 79 1.520 -2.648 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 79 4.099 -1.227 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.242 -0.486 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.922 0.809 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.473 0.306 -1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.562 -1.386 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.979 -0.628 -1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.445 0.927 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.049 0.591 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.358 -0.724 0.612 1.00 0.00 H new ATOM 1218 N TYR A 80 3.232 -4.341 -1.099 1.00 0.00 N ATOM 1219 CA TYR A 80 4.292 -5.351 -1.482 1.00 0.00 C ATOM 1220 C TYR A 80 5.502 -4.613 -2.123 1.00 0.00 C ATOM 1221 O TYR A 80 5.324 -3.621 -2.805 1.00 0.00 O ATOM 1222 CB TYR A 80 3.659 -6.339 -2.493 1.00 0.00 C ATOM 1223 CG TYR A 80 4.696 -7.307 -3.027 1.00 0.00 C ATOM 1224 CD1 TYR A 80 5.198 -8.330 -2.211 1.00 0.00 C ATOM 1225 CD2 TYR A 80 5.141 -7.191 -4.350 1.00 0.00 C ATOM 1226 CE1 TYR A 80 6.145 -9.227 -2.716 1.00 0.00 C ATOM 1227 CE2 TYR A 80 6.088 -8.088 -4.853 1.00 0.00 C ATOM 1228 CZ TYR A 80 6.592 -9.106 -4.037 1.00 0.00 C ATOM 1229 OH TYR A 80 7.527 -9.991 -4.535 1.00 0.00 O ATOM 0 H TYR A 80 2.424 -4.274 -1.718 1.00 0.00 H new ATOM 0 HA TYR A 80 4.649 -5.894 -0.607 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.854 -6.893 -2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.214 -5.784 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.853 -8.426 -1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.752 -6.407 -4.983 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.532 -10.014 -2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.431 -7.995 -5.873 1.00 0.00 H new ATOM 0 HH TYR A 80 7.726 -9.766 -5.468 1.00 0.00 H new ATOM 1239 N VAL A 81 6.729 -5.069 -1.913 1.00 0.00 N ATOM 1240 CA VAL A 81 7.907 -4.365 -2.512 1.00 0.00 C ATOM 1241 C VAL A 81 8.979 -5.383 -2.977 1.00 0.00 C ATOM 1242 O VAL A 81 9.560 -6.078 -2.170 1.00 0.00 O ATOM 1243 CB VAL A 81 8.481 -3.474 -1.397 1.00 0.00 C ATOM 1244 CG1 VAL A 81 9.868 -2.993 -1.803 1.00 0.00 C ATOM 1245 CG2 VAL A 81 7.567 -2.271 -1.217 1.00 0.00 C ATOM 0 H VAL A 81 6.955 -5.893 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 81 7.612 -3.784 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 81 8.548 -4.036 -0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.279 -2.361 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.521 -3.852 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.798 -2.421 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.961 -1.629 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.516 -1.710 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.568 -2.611 -0.943 1.00 0.00 H new ATOM 1255 N SER A 82 9.248 -5.488 -4.261 1.00 0.00 N ATOM 1256 CA SER A 82 10.285 -6.481 -4.736 1.00 0.00 C ATOM 1257 C SER A 82 11.715 -6.000 -4.432 1.00 0.00 C ATOM 1258 O SER A 82 11.950 -4.835 -4.173 1.00 0.00 O ATOM 1259 CB SER A 82 10.076 -6.587 -6.268 1.00 0.00 C ATOM 1260 OG SER A 82 8.717 -6.909 -6.532 1.00 0.00 O ATOM 0 H SER A 82 8.803 -4.939 -4.996 1.00 0.00 H new ATOM 0 HA SER A 82 10.170 -7.439 -4.229 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.339 -5.645 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.731 -7.352 -6.685 1.00 0.00 H new ATOM 0 HG SER A 82 8.312 -7.299 -5.730 1.00 0.00 H new ATOM 1266 N PRO A 83 12.629 -6.942 -4.505 1.00 0.00 N ATOM 1267 CA PRO A 83 14.061 -6.646 -4.263 1.00 0.00 C ATOM 1268 C PRO A 83 14.562 -5.714 -5.358 1.00 0.00 C ATOM 1269 O PRO A 83 15.151 -4.688 -5.085 1.00 0.00 O ATOM 1270 CB PRO A 83 14.734 -8.016 -4.327 1.00 0.00 C ATOM 1271 CG PRO A 83 13.805 -8.854 -5.142 1.00 0.00 C ATOM 1272 CD PRO A 83 12.417 -8.360 -4.827 1.00 0.00 C ATOM 0 HA PRO A 83 14.263 -6.149 -3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.719 -7.953 -4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.875 -8.435 -3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.022 -8.756 -6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.910 -9.910 -4.891 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.744 -8.484 -5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.977 -8.902 -3.989 1.00 0.00 H new ATOM 1280 N SER A 84 14.293 -6.034 -6.599 1.00 0.00 N ATOM 1281 CA SER A 84 14.718 -5.125 -7.696 1.00 0.00 C ATOM 1282 C SER A 84 14.322 -3.705 -7.291 1.00 0.00 C ATOM 1283 O SER A 84 15.072 -2.765 -7.444 1.00 0.00 O ATOM 1284 CB SER A 84 13.934 -5.583 -8.926 1.00 0.00 C ATOM 1285 OG SER A 84 12.542 -5.471 -8.665 1.00 0.00 O ATOM 0 H SER A 84 13.802 -6.878 -6.894 1.00 0.00 H new ATOM 0 HA SER A 84 15.789 -5.143 -7.897 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.204 -4.976 -9.790 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.188 -6.615 -9.170 1.00 0.00 H new ATOM 0 HG SER A 84 12.037 -5.762 -9.453 1.00 0.00 H new ATOM 1291 N GLN A 85 13.152 -3.564 -6.723 1.00 0.00 N ATOM 1292 CA GLN A 85 12.717 -2.197 -6.253 1.00 0.00 C ATOM 1293 C GLN A 85 13.702 -1.728 -5.170 1.00 0.00 C ATOM 1294 O GLN A 85 14.347 -0.708 -5.306 1.00 0.00 O ATOM 1295 CB GLN A 85 11.306 -2.345 -5.657 1.00 0.00 C ATOM 1296 CG GLN A 85 10.259 -1.963 -6.710 1.00 0.00 C ATOM 1297 CD GLN A 85 10.391 -0.477 -7.045 1.00 0.00 C ATOM 1298 OE1 GLN A 85 11.342 0.166 -6.649 1.00 0.00 O ATOM 1299 NE2 GLN A 85 9.468 0.098 -7.768 1.00 0.00 N ATOM 0 H GLN A 85 12.483 -4.317 -6.562 1.00 0.00 H new ATOM 0 HA GLN A 85 12.704 -1.471 -7.066 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.146 -3.371 -5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.203 -1.707 -4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.397 -2.563 -7.609 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.257 -2.175 -6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.670 -0.443 -8.100 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.545 1.088 -8.001 1.00 0.00 H new ATOM 1308 N ILE A 86 13.844 -2.485 -4.106 1.00 0.00 N ATOM 1309 CA ILE A 86 14.819 -2.096 -3.032 1.00 0.00 C ATOM 1310 C ILE A 86 16.190 -1.917 -3.665 1.00 0.00 C ATOM 1311 O ILE A 86 16.829 -0.888 -3.532 1.00 0.00 O ATOM 1312 CB ILE A 86 14.893 -3.262 -2.012 1.00 0.00 C ATOM 1313 CG1 ILE A 86 13.565 -4.037 -1.949 1.00 0.00 C ATOM 1314 CG2 ILE A 86 15.201 -2.697 -0.632 1.00 0.00 C ATOM 1315 CD1 ILE A 86 13.545 -4.985 -0.740 1.00 0.00 C ATOM 0 H ILE A 86 13.331 -3.350 -3.934 1.00 0.00 H new ATOM 0 HA ILE A 86 14.509 -1.173 -2.542 1.00 0.00 H new ATOM 0 HB ILE A 86 15.677 -3.948 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 86 12.733 -3.337 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.428 -4.608 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 86 15.255 -3.511 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 86 16.156 -2.172 -0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 86 14.413 -2.003 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.597 -5.523 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 86 14.365 -5.698 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 86 13.659 -4.407 0.177 1.00 0.00 H new ATOM 1327 N ARG A 87 16.644 -2.927 -4.336 1.00 0.00 N ATOM 1328 CA ARG A 87 17.981 -2.863 -4.988 1.00 0.00 C ATOM 1329 C ARG A 87 18.066 -1.704 -5.973 1.00 0.00 C ATOM 1330 O ARG A 87 19.066 -1.021 -6.073 1.00 0.00 O ATOM 1331 CB ARG A 87 18.095 -4.178 -5.743 1.00 0.00 C ATOM 1332 CG ARG A 87 19.101 -5.091 -5.041 1.00 0.00 C ATOM 1333 CD ARG A 87 19.752 -6.017 -6.070 1.00 0.00 C ATOM 1334 NE ARG A 87 19.611 -7.385 -5.499 1.00 0.00 N ATOM 1335 CZ ARG A 87 19.954 -8.424 -6.209 1.00 0.00 C ATOM 1336 NH1 ARG A 87 20.861 -8.308 -7.139 1.00 0.00 N ATOM 1337 NH2 ARG A 87 19.391 -9.581 -5.987 1.00 0.00 N ATOM 0 H ARG A 87 16.144 -3.807 -4.465 1.00 0.00 H new ATOM 0 HA ARG A 87 18.776 -2.711 -4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.121 -4.665 -5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 87 18.412 -3.993 -6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 87 19.863 -4.494 -4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 87 18.600 -5.679 -4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 87 19.258 -5.940 -7.039 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.800 -5.760 -6.226 1.00 0.00 H new ATOM 0 HE ARG A 87 19.247 -7.509 -4.554 1.00 0.00 H new ATOM 0 HH11 ARG A 87 21.302 -7.405 -7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 87 21.129 -9.121 -7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 87 18.683 -9.672 -5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 87 19.659 -10.394 -6.542 1.00 0.00 H new ATOM 1351 N ARG A 88 17.037 -1.516 -6.726 1.00 0.00 N ATOM 1352 CA ARG A 88 17.059 -0.424 -7.763 1.00 0.00 C ATOM 1353 C ARG A 88 17.258 0.956 -7.129 1.00 0.00 C ATOM 1354 O ARG A 88 17.928 1.795 -7.696 1.00 0.00 O ATOM 1355 CB ARG A 88 15.723 -0.468 -8.540 1.00 0.00 C ATOM 1356 CG ARG A 88 15.775 -1.587 -9.586 1.00 0.00 C ATOM 1357 CD ARG A 88 15.740 -0.983 -10.994 1.00 0.00 C ATOM 1358 NE ARG A 88 14.365 -1.261 -11.496 1.00 0.00 N ATOM 1359 CZ ARG A 88 14.192 -1.747 -12.696 1.00 0.00 C ATOM 1360 NH1 ARG A 88 14.876 -1.270 -13.700 1.00 0.00 N ATOM 1361 NH2 ARG A 88 13.331 -2.708 -12.891 1.00 0.00 N ATOM 0 H ARG A 88 16.175 -2.060 -6.683 1.00 0.00 H new ATOM 0 HA ARG A 88 17.900 -0.590 -8.437 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.895 -0.638 -7.851 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.541 0.490 -9.026 1.00 0.00 H new ATOM 0 HG2 ARG A 88 16.682 -2.177 -9.456 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.932 -2.264 -9.450 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.943 0.088 -10.970 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.495 -1.436 -11.637 1.00 0.00 H new ATOM 0 HE ARG A 88 13.558 -1.072 -10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.547 -0.517 -13.548 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.740 -1.651 -14.637 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.794 -3.079 -12.107 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.195 -3.088 -13.828 1.00 0.00 H new ATOM 1375 N PHE A 89 16.706 1.230 -5.972 1.00 0.00 N ATOM 1376 CA PHE A 89 16.946 2.605 -5.405 1.00 0.00 C ATOM 1377 C PHE A 89 17.820 2.553 -4.139 1.00 0.00 C ATOM 1378 O PHE A 89 17.940 3.535 -3.434 1.00 0.00 O ATOM 1379 CB PHE A 89 15.560 3.253 -5.121 1.00 0.00 C ATOM 1380 CG PHE A 89 14.711 3.172 -6.366 1.00 0.00 C ATOM 1381 CD1 PHE A 89 15.228 3.616 -7.589 1.00 0.00 C ATOM 1382 CD2 PHE A 89 13.411 2.655 -6.303 1.00 0.00 C ATOM 1383 CE1 PHE A 89 14.448 3.544 -8.748 1.00 0.00 C ATOM 1384 CE2 PHE A 89 12.630 2.583 -7.463 1.00 0.00 C ATOM 1385 CZ PHE A 89 13.149 3.028 -8.686 1.00 0.00 C ATOM 0 H PHE A 89 16.127 0.601 -5.415 1.00 0.00 H new ATOM 0 HA PHE A 89 17.497 3.211 -6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 89 15.067 2.739 -4.296 1.00 0.00 H new ATOM 0 HB3 PHE A 89 15.686 4.293 -4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 89 16.231 4.015 -7.638 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.011 2.312 -5.360 1.00 0.00 H new ATOM 0 HE1 PHE A 89 14.849 3.887 -9.691 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.627 2.184 -7.415 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.546 2.973 -9.581 1.00 0.00 H new ATOM 1395 N ASN A 90 18.461 1.438 -3.845 1.00 0.00 N ATOM 1396 CA ASN A 90 19.331 1.388 -2.644 1.00 0.00 C ATOM 1397 C ASN A 90 18.509 1.642 -1.384 1.00 0.00 C ATOM 1398 O ASN A 90 18.825 2.503 -0.588 1.00 0.00 O ATOM 1399 CB ASN A 90 20.365 2.509 -2.861 1.00 0.00 C ATOM 1400 CG ASN A 90 21.769 1.956 -2.642 1.00 0.00 C ATOM 1401 OD1 ASN A 90 22.706 2.357 -3.304 1.00 0.00 O ATOM 1402 ND2 ASN A 90 21.955 1.044 -1.733 1.00 0.00 N ATOM 0 H ASN A 90 18.413 0.575 -4.386 1.00 0.00 H new ATOM 0 HA ASN A 90 19.806 0.416 -2.514 1.00 0.00 H new ATOM 0 HB2 ASN A 90 20.275 2.911 -3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 90 20.175 3.332 -2.172 1.00 0.00 H new ATOM 0 HD21 ASN A 90 22.888 0.664 -1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 90 21.167 0.709 -1.178 1.00 0.00 H new ATOM 1409 N LEU A 91 17.458 0.896 -1.195 1.00 0.00 N ATOM 1410 CA LEU A 91 16.623 1.103 0.031 1.00 0.00 C ATOM 1411 C LEU A 91 17.137 0.231 1.175 1.00 0.00 C ATOM 1412 O LEU A 91 18.140 -0.443 1.056 1.00 0.00 O ATOM 1413 CB LEU A 91 15.196 0.664 -0.333 1.00 0.00 C ATOM 1414 CG LEU A 91 14.874 1.012 -1.782 1.00 0.00 C ATOM 1415 CD1 LEU A 91 13.393 0.757 -2.029 1.00 0.00 C ATOM 1416 CD2 LEU A 91 15.175 2.482 -2.042 1.00 0.00 C ATOM 0 H LEU A 91 17.140 0.159 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 91 16.659 2.144 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.091 -0.410 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.481 1.151 0.330 1.00 0.00 H new ATOM 0 HG LEU A 91 15.481 0.398 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 91 13.149 1.002 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.169 -0.293 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.800 1.379 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.942 2.723 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.568 3.100 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.231 2.676 -1.852 1.00 0.00 H new ATOM 1428 N ARG A 92 16.422 0.211 2.268 1.00 0.00 N ATOM 1429 CA ARG A 92 16.827 -0.651 3.420 1.00 0.00 C ATOM 1430 C ARG A 92 15.604 -0.869 4.325 1.00 0.00 C ATOM 1431 O ARG A 92 14.657 -0.088 4.306 1.00 0.00 O ATOM 1432 CB ARG A 92 17.922 0.116 4.180 1.00 0.00 C ATOM 1433 CG ARG A 92 19.175 0.227 3.304 1.00 0.00 C ATOM 1434 CD ARG A 92 20.400 0.487 4.184 1.00 0.00 C ATOM 1435 NE ARG A 92 21.535 -0.143 3.453 1.00 0.00 N ATOM 1436 CZ ARG A 92 22.185 -1.142 3.988 1.00 0.00 C ATOM 1437 NH1 ARG A 92 22.677 -1.031 5.193 1.00 0.00 N ATOM 1438 NH2 ARG A 92 22.341 -2.252 3.319 1.00 0.00 N ATOM 0 H ARG A 92 15.572 0.756 2.414 1.00 0.00 H new ATOM 0 HA ARG A 92 17.196 -1.624 3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.564 1.110 4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.161 -0.398 5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.314 -0.691 2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.055 1.035 2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 92 20.565 1.555 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.276 0.049 5.174 1.00 0.00 H new ATOM 0 HE ARG A 92 21.805 0.206 2.533 1.00 0.00 H new ATOM 0 HH11 ARG A 92 22.554 -0.164 5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 92 23.184 -1.811 5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 92 21.955 -2.339 2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 92 22.848 -3.032 3.737 1.00 0.00 H new ATOM 1452 N THR A 93 15.600 -1.875 5.157 1.00 0.00 N ATOM 1453 CA THR A 93 14.395 -2.028 6.032 1.00 0.00 C ATOM 1454 C THR A 93 14.349 -0.800 6.941 1.00 0.00 C ATOM 1455 O THR A 93 15.366 -0.185 7.190 1.00 0.00 O ATOM 1456 CB THR A 93 14.522 -3.328 6.899 1.00 0.00 C ATOM 1457 OG1 THR A 93 13.218 -3.741 7.282 1.00 0.00 O ATOM 1458 CG2 THR A 93 15.329 -3.029 8.170 1.00 0.00 C ATOM 0 H THR A 93 16.339 -2.569 5.270 1.00 0.00 H new ATOM 0 HA THR A 93 13.487 -2.109 5.434 1.00 0.00 H new ATOM 0 HB THR A 93 15.023 -4.105 6.322 1.00 0.00 H new ATOM 0 HG1 THR A 93 13.270 -4.605 7.742 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.414 -3.936 8.769 1.00 0.00 H new ATOM 0 HG22 THR A 93 16.325 -2.681 7.895 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.822 -2.258 8.750 1.00 0.00 H new ATOM 1466 N GLY A 94 13.213 -0.425 7.454 1.00 0.00 N ATOM 1467 CA GLY A 94 13.233 0.784 8.352 1.00 0.00 C ATOM 1468 C GLY A 94 13.318 2.075 7.509 1.00 0.00 C ATOM 1469 O GLY A 94 13.153 3.160 8.030 1.00 0.00 O ATOM 0 H GLY A 94 12.307 -0.871 7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.334 0.803 8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.084 0.728 9.031 1.00 0.00 H new ATOM 1473 N ASP A 95 13.591 1.993 6.216 1.00 0.00 N ATOM 1474 CA ASP A 95 13.693 3.245 5.412 1.00 0.00 C ATOM 1475 C ASP A 95 12.316 3.918 5.288 1.00 0.00 C ATOM 1476 O ASP A 95 11.294 3.257 5.247 1.00 0.00 O ATOM 1477 CB ASP A 95 14.197 2.796 4.033 1.00 0.00 C ATOM 1478 CG ASP A 95 15.726 2.769 4.036 1.00 0.00 C ATOM 1479 OD1 ASP A 95 16.295 2.685 5.112 1.00 0.00 O ATOM 1480 OD2 ASP A 95 16.302 2.835 2.963 1.00 0.00 O ATOM 0 H ASP A 95 13.743 1.126 5.701 1.00 0.00 H new ATOM 0 HA ASP A 95 14.360 3.973 5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.805 1.807 3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.836 3.477 3.262 1.00 0.00 H new ATOM 1485 N THR A 96 12.293 5.226 5.204 1.00 0.00 N ATOM 1486 CA THR A 96 11.018 5.969 5.063 1.00 0.00 C ATOM 1487 C THR A 96 10.760 6.206 3.567 1.00 0.00 C ATOM 1488 O THR A 96 11.631 6.736 2.880 1.00 0.00 O ATOM 1489 CB THR A 96 11.244 7.311 5.783 1.00 0.00 C ATOM 1490 OG1 THR A 96 12.528 7.316 6.391 1.00 0.00 O ATOM 1491 CG2 THR A 96 10.170 7.519 6.855 1.00 0.00 C ATOM 0 H THR A 96 13.126 5.815 5.228 1.00 0.00 H new ATOM 0 HA THR A 96 10.165 5.435 5.481 1.00 0.00 H new ATOM 0 HB THR A 96 11.182 8.119 5.054 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.671 8.172 6.847 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.338 8.471 7.359 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.185 7.525 6.387 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.221 6.709 7.583 1.00 0.00 H new ATOM 1499 N ILE A 97 9.616 5.819 3.023 1.00 0.00 N ATOM 1500 CA ILE A 97 9.419 6.052 1.566 1.00 0.00 C ATOM 1501 C ILE A 97 7.956 6.373 1.217 1.00 0.00 C ATOM 1502 O ILE A 97 7.042 6.152 1.996 1.00 0.00 O ATOM 1503 CB ILE A 97 9.865 4.741 0.875 1.00 0.00 C ATOM 1504 CG1 ILE A 97 11.089 4.153 1.612 1.00 0.00 C ATOM 1505 CG2 ILE A 97 10.208 5.001 -0.597 1.00 0.00 C ATOM 1506 CD1 ILE A 97 11.803 3.140 0.705 1.00 0.00 C ATOM 0 H ILE A 97 8.844 5.369 3.514 1.00 0.00 H new ATOM 0 HA ILE A 97 9.996 6.916 1.234 1.00 0.00 H new ATOM 0 HB ILE A 97 9.045 4.024 0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 97 11.775 4.952 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.771 3.668 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.520 4.069 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.330 5.392 -1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 97 11.018 5.727 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.666 2.728 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.116 2.334 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 97 12.135 3.638 -0.206 1.00 0.00 H new ATOM 1518 N SER A 98 7.748 6.895 0.010 1.00 0.00 N ATOM 1519 CA SER A 98 6.375 7.234 -0.433 1.00 0.00 C ATOM 1520 C SER A 98 6.281 7.079 -1.955 1.00 0.00 C ATOM 1521 O SER A 98 7.212 7.445 -2.666 1.00 0.00 O ATOM 1522 CB SER A 98 6.150 8.714 -0.011 1.00 0.00 C ATOM 1523 OG SER A 98 7.088 9.530 -0.700 1.00 0.00 O ATOM 0 H SER A 98 8.482 7.092 -0.670 1.00 0.00 H new ATOM 0 HA SER A 98 5.621 6.583 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.132 9.024 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.273 8.823 1.066 1.00 0.00 H new ATOM 0 HG SER A 98 6.651 10.359 -0.987 1.00 0.00 H new ATOM 1529 N GLY A 99 5.182 6.531 -2.485 1.00 0.00 N ATOM 1530 CA GLY A 99 5.152 6.379 -3.985 1.00 0.00 C ATOM 1531 C GLY A 99 3.765 6.008 -4.592 1.00 0.00 C ATOM 1532 O GLY A 99 2.770 5.929 -3.899 1.00 0.00 O ATOM 0 H GLY A 99 4.361 6.205 -1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.488 7.313 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.871 5.611 -4.270 1.00 0.00 H new ATOM 1536 N LYS A 100 3.722 5.770 -5.923 1.00 0.00 N ATOM 1537 CA LYS A 100 2.445 5.398 -6.612 1.00 0.00 C ATOM 1538 C LYS A 100 2.319 3.861 -6.535 1.00 0.00 C ATOM 1539 O LYS A 100 3.350 3.195 -6.475 1.00 0.00 O ATOM 1540 CB LYS A 100 2.596 5.877 -8.067 1.00 0.00 C ATOM 1541 CG LYS A 100 3.345 7.213 -8.104 1.00 0.00 C ATOM 1542 CD LYS A 100 2.874 8.031 -9.310 1.00 0.00 C ATOM 1543 CE LYS A 100 2.089 9.254 -8.826 1.00 0.00 C ATOM 1544 NZ LYS A 100 1.526 9.864 -10.063 1.00 0.00 N ATOM 0 H LYS A 100 4.533 5.825 -6.539 1.00 0.00 H new ATOM 0 HA LYS A 100 1.556 5.844 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.137 5.131 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.613 5.989 -8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.166 7.768 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.419 7.038 -8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.731 8.348 -9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.248 7.417 -9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.299 8.967 -8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.736 9.955 -8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.974 10.709 -9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.302 10.134 -10.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.909 9.176 -10.540 1.00 0.00 H new ATOM 1558 N ILE A 101 1.124 3.258 -6.516 1.00 0.00 N ATOM 1559 CA ILE A 101 1.076 1.756 -6.378 1.00 0.00 C ATOM 1560 C ILE A 101 0.352 1.058 -7.553 1.00 0.00 C ATOM 1561 O ILE A 101 -0.412 1.682 -8.261 1.00 0.00 O ATOM 1562 CB ILE A 101 0.320 1.520 -5.042 1.00 0.00 C ATOM 1563 CG1 ILE A 101 -0.810 2.561 -4.897 1.00 0.00 C ATOM 1564 CG2 ILE A 101 1.300 1.654 -3.869 1.00 0.00 C ATOM 1565 CD1 ILE A 101 -1.613 2.322 -3.610 1.00 0.00 C ATOM 0 H ILE A 101 0.221 3.728 -6.588 1.00 0.00 H new ATOM 0 HA ILE A 101 2.079 1.330 -6.388 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.111 0.519 -5.040 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.386 3.565 -4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.474 2.506 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.770 1.488 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 101 2.094 0.915 -3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.733 2.654 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.403 3.068 -3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.055 1.326 -3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.951 2.402 -2.748 1.00 0.00 H new ATOM 1577 N ARG A 102 0.567 -0.247 -7.772 1.00 0.00 N ATOM 1578 CA ARG A 102 -0.139 -0.924 -8.893 1.00 0.00 C ATOM 1579 C ARG A 102 -0.480 -2.359 -8.485 1.00 0.00 C ATOM 1580 O ARG A 102 0.351 -3.068 -7.948 1.00 0.00 O ATOM 1581 CB ARG A 102 0.853 -0.917 -10.055 1.00 0.00 C ATOM 1582 CG ARG A 102 0.330 -1.816 -11.176 1.00 0.00 C ATOM 1583 CD ARG A 102 -0.079 -0.957 -12.374 1.00 0.00 C ATOM 1584 NE ARG A 102 -0.091 -1.896 -13.530 1.00 0.00 N ATOM 1585 CZ ARG A 102 -0.924 -1.705 -14.515 1.00 0.00 C ATOM 1586 NH1 ARG A 102 -2.124 -2.214 -14.463 1.00 0.00 N ATOM 1587 NH2 ARG A 102 -0.556 -1.005 -15.555 1.00 0.00 N ATOM 0 H ARG A 102 1.190 -0.840 -7.224 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.072 -0.429 -9.162 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.991 0.099 -10.424 1.00 0.00 H new ATOM 0 HB3 ARG A 102 1.828 -1.268 -9.717 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.099 -2.529 -11.473 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.523 -2.396 -10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.059 -0.506 -12.221 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.626 -0.141 -12.535 1.00 0.00 H new ATOM 0 HE ARG A 102 0.552 -2.688 -13.551 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.411 -2.762 -13.652 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -2.775 -2.064 -15.234 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.383 -0.608 -15.596 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.207 -0.856 -16.326 1.00 0.00 H new ATOM 1688 N ARG A 109 -1.749 -11.505 -4.343 1.00 0.00 N ATOM 1689 CA ARG A 109 -2.656 -11.166 -3.202 1.00 0.00 C ATOM 1690 C ARG A 109 -2.450 -9.732 -2.644 1.00 0.00 C ATOM 1691 O ARG A 109 -3.410 -9.085 -2.277 1.00 0.00 O ATOM 1692 CB ARG A 109 -2.334 -12.226 -2.138 1.00 0.00 C ATOM 1693 CG ARG A 109 -2.850 -13.601 -2.596 1.00 0.00 C ATOM 1694 CD ARG A 109 -4.286 -13.846 -2.093 1.00 0.00 C ATOM 1695 NE ARG A 109 -5.093 -14.051 -3.329 1.00 0.00 N ATOM 1696 CZ ARG A 109 -5.707 -15.187 -3.525 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -5.021 -16.261 -3.804 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -7.008 -15.248 -3.439 1.00 0.00 N ATOM 0 HA ARG A 109 -3.698 -11.174 -3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.258 -12.269 -1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.795 -11.953 -1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.827 -13.658 -3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -2.191 -14.384 -2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -4.333 -14.718 -1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -4.654 -12.997 -1.517 1.00 0.00 H new ATOM 0 HE ARG A 109 -5.166 -13.305 -4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -4.004 -16.214 -3.869 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -5.501 -17.148 -3.957 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.544 -14.409 -3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -7.488 -16.135 -3.592 1.00 0.00 H new ATOM 1712 N TYR A 110 -1.244 -9.209 -2.570 1.00 0.00 N ATOM 1713 CA TYR A 110 -1.102 -7.799 -2.021 1.00 0.00 C ATOM 1714 C TYR A 110 -0.780 -6.821 -3.179 1.00 0.00 C ATOM 1715 O TYR A 110 -0.168 -7.219 -4.151 1.00 0.00 O ATOM 1716 CB TYR A 110 0.079 -7.795 -0.985 1.00 0.00 C ATOM 1717 CG TYR A 110 0.022 -9.014 -0.077 1.00 0.00 C ATOM 1718 CD1 TYR A 110 -0.727 -8.974 1.112 1.00 0.00 C ATOM 1719 CD2 TYR A 110 0.727 -10.178 -0.413 1.00 0.00 C ATOM 1720 CE1 TYR A 110 -0.770 -10.095 1.952 1.00 0.00 C ATOM 1721 CE2 TYR A 110 0.681 -11.297 0.430 1.00 0.00 C ATOM 1722 CZ TYR A 110 -0.069 -11.255 1.610 1.00 0.00 C ATOM 1723 OH TYR A 110 -0.110 -12.357 2.439 1.00 0.00 O ATOM 0 H TYR A 110 -0.378 -9.669 -2.851 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.028 -7.484 -1.541 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.031 -7.778 -1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 110 0.034 -6.888 -0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.270 -8.079 1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.307 -10.213 -1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.346 -10.063 2.865 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.225 -12.192 0.168 1.00 0.00 H new ATOM 0 HH TYR A 110 0.431 -13.077 2.053 1.00 0.00 H new ATOM 1733 N PHE A 111 -1.148 -5.544 -3.107 1.00 0.00 N ATOM 1734 CA PHE A 111 -0.783 -4.638 -4.250 1.00 0.00 C ATOM 1735 C PHE A 111 0.747 -4.464 -4.247 1.00 0.00 C ATOM 1736 O PHE A 111 1.404 -4.846 -3.293 1.00 0.00 O ATOM 1737 CB PHE A 111 -1.481 -3.288 -3.979 1.00 0.00 C ATOM 1738 CG PHE A 111 -2.922 -3.361 -4.427 1.00 0.00 C ATOM 1739 CD1 PHE A 111 -3.682 -4.509 -4.173 1.00 0.00 C ATOM 1740 CD2 PHE A 111 -3.502 -2.274 -5.094 1.00 0.00 C ATOM 1741 CE1 PHE A 111 -5.017 -4.572 -4.585 1.00 0.00 C ATOM 1742 CE2 PHE A 111 -4.838 -2.337 -5.505 1.00 0.00 C ATOM 1743 CZ PHE A 111 -5.595 -3.486 -5.252 1.00 0.00 C ATOM 0 H PHE A 111 -1.662 -5.113 -2.339 1.00 0.00 H new ATOM 0 HA PHE A 111 -1.091 -5.035 -5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.432 -3.049 -2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.965 -2.488 -4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.237 -5.347 -3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.918 -1.387 -5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -5.602 -5.459 -4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.285 -1.498 -6.018 1.00 0.00 H new ATOM 0 HZ PHE A 111 -6.626 -3.535 -5.571 1.00 0.00 H new ATOM 1753 N ALA A 112 1.345 -3.908 -5.281 1.00 0.00 N ATOM 1754 CA ALA A 112 2.829 -3.779 -5.247 1.00 0.00 C ATOM 1755 C ALA A 112 3.254 -2.307 -5.414 1.00 0.00 C ATOM 1756 O ALA A 112 2.536 -1.512 -5.980 1.00 0.00 O ATOM 1757 CB ALA A 112 3.333 -4.604 -6.429 1.00 0.00 C ATOM 0 H ALA A 112 0.882 -3.551 -6.117 1.00 0.00 H new ATOM 0 HA ALA A 112 3.238 -4.123 -4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.421 -4.556 -6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.019 -5.641 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.919 -4.204 -7.355 1.00 0.00 H new ATOM 1763 N LEU A 113 4.433 -1.938 -4.935 1.00 0.00 N ATOM 1764 CA LEU A 113 4.863 -0.518 -5.106 1.00 0.00 C ATOM 1765 C LEU A 113 5.029 -0.280 -6.615 1.00 0.00 C ATOM 1766 O LEU A 113 5.266 -1.213 -7.357 1.00 0.00 O ATOM 1767 CB LEU A 113 6.200 -0.341 -4.334 1.00 0.00 C ATOM 1768 CG LEU A 113 7.109 0.700 -5.025 1.00 0.00 C ATOM 1769 CD1 LEU A 113 6.782 2.101 -4.507 1.00 0.00 C ATOM 1770 CD2 LEU A 113 8.572 0.394 -4.707 1.00 0.00 C ATOM 0 H LEU A 113 5.091 -2.546 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 113 4.144 0.202 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.994 -0.026 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.718 -1.298 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 113 6.941 0.654 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.426 2.830 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.739 2.335 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.947 2.138 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.212 1.129 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.727 0.437 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.822 -0.603 -5.070 1.00 0.00 H new ATOM 1782 N LEU A 114 4.891 0.924 -7.101 1.00 0.00 N ATOM 1783 CA LEU A 114 5.033 1.116 -8.585 1.00 0.00 C ATOM 1784 C LEU A 114 6.019 2.245 -8.952 1.00 0.00 C ATOM 1785 O LEU A 114 6.974 2.020 -9.667 1.00 0.00 O ATOM 1786 CB LEU A 114 3.618 1.415 -9.091 1.00 0.00 C ATOM 1787 CG LEU A 114 3.626 1.380 -10.639 1.00 0.00 C ATOM 1788 CD1 LEU A 114 3.619 -0.077 -11.109 1.00 0.00 C ATOM 1789 CD2 LEU A 114 2.381 2.088 -11.172 1.00 0.00 C ATOM 0 H LEU A 114 4.692 1.765 -6.559 1.00 0.00 H new ATOM 0 HA LEU A 114 5.455 0.226 -9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.914 0.680 -8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.289 2.392 -8.737 1.00 0.00 H new ATOM 0 HG LEU A 114 4.518 1.884 -11.011 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.625 -0.108 -12.199 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.503 -0.587 -10.727 1.00 0.00 H new ATOM 0 HD13 LEU A 114 2.724 -0.575 -10.737 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.387 2.063 -12.262 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.489 1.583 -10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.378 3.124 -10.833 1.00 0.00 H new ATOM 1801 N LYS A 115 5.818 3.448 -8.476 1.00 0.00 N ATOM 1802 CA LYS A 115 6.780 4.555 -8.823 1.00 0.00 C ATOM 1803 C LYS A 115 7.297 5.188 -7.508 1.00 0.00 C ATOM 1804 O LYS A 115 6.545 5.321 -6.557 1.00 0.00 O ATOM 1805 CB LYS A 115 5.956 5.578 -9.670 1.00 0.00 C ATOM 1806 CG LYS A 115 6.533 6.995 -9.540 1.00 0.00 C ATOM 1807 CD LYS A 115 7.257 7.369 -10.836 1.00 0.00 C ATOM 1808 CE LYS A 115 8.575 8.074 -10.504 1.00 0.00 C ATOM 1809 NZ LYS A 115 9.274 8.218 -11.812 1.00 0.00 N ATOM 0 H LYS A 115 5.043 3.716 -7.870 1.00 0.00 H new ATOM 0 HA LYS A 115 7.649 4.212 -9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 115 5.960 5.275 -10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.917 5.574 -9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.734 7.708 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 115 7.223 7.043 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.451 6.474 -11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.627 8.021 -11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.398 9.045 -10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.169 7.490 -9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.188 8.693 -11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.435 7.277 -12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.688 8.784 -12.458 1.00 0.00 H new ATOM 1823 N VAL A 116 8.559 5.585 -7.426 1.00 0.00 N ATOM 1824 CA VAL A 116 9.053 6.198 -6.128 1.00 0.00 C ATOM 1825 C VAL A 116 8.930 7.739 -6.129 1.00 0.00 C ATOM 1826 O VAL A 116 9.374 8.410 -7.039 1.00 0.00 O ATOM 1827 CB VAL A 116 10.548 5.778 -5.921 1.00 0.00 C ATOM 1828 CG1 VAL A 116 11.186 6.645 -4.838 1.00 0.00 C ATOM 1829 CG2 VAL A 116 10.612 4.315 -5.452 1.00 0.00 C ATOM 0 H VAL A 116 9.249 5.516 -8.174 1.00 0.00 H new ATOM 0 HA VAL A 116 8.432 5.831 -5.311 1.00 0.00 H new ATOM 0 HB VAL A 116 11.078 5.902 -6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.225 6.348 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.145 7.692 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.643 6.515 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 116 11.653 4.024 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.073 4.211 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 116 10.156 3.671 -6.204 1.00 0.00 H new ATOM 1839 N ASN A 117 8.356 8.293 -5.085 1.00 0.00 N ATOM 1840 CA ASN A 117 8.224 9.793 -4.968 1.00 0.00 C ATOM 1841 C ASN A 117 9.207 10.323 -3.913 1.00 0.00 C ATOM 1842 O ASN A 117 9.819 11.357 -4.094 1.00 0.00 O ATOM 1843 CB ASN A 117 6.793 10.094 -4.472 1.00 0.00 C ATOM 1844 CG ASN A 117 5.757 9.421 -5.380 1.00 0.00 C ATOM 1845 OD1 ASN A 117 6.106 8.798 -6.363 1.00 0.00 O ATOM 1846 ND2 ASN A 117 4.482 9.524 -5.089 1.00 0.00 N ATOM 0 H ASN A 117 7.968 7.770 -4.300 1.00 0.00 H new ATOM 0 HA ASN A 117 8.430 10.262 -5.930 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.674 9.738 -3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.626 11.171 -4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.785 9.081 -5.688 1.00 0.00 H new ATOM 0 HD22 ASN A 117 4.188 10.047 -4.264 1.00 0.00 H new ATOM 1853 N GLU A 118 9.372 9.626 -2.820 1.00 0.00 N ATOM 1854 CA GLU A 118 10.323 10.100 -1.776 1.00 0.00 C ATOM 1855 C GLU A 118 11.029 8.894 -1.142 1.00 0.00 C ATOM 1856 O GLU A 118 10.538 7.770 -1.220 1.00 0.00 O ATOM 1857 CB GLU A 118 9.461 10.813 -0.737 1.00 0.00 C ATOM 1858 CG GLU A 118 10.296 11.880 -0.024 1.00 0.00 C ATOM 1859 CD GLU A 118 9.504 13.186 0.043 1.00 0.00 C ATOM 1860 OE1 GLU A 118 8.291 13.126 -0.078 1.00 0.00 O ATOM 1861 OE2 GLU A 118 10.121 14.223 0.215 1.00 0.00 O ATOM 0 H GLU A 118 8.891 8.752 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 118 11.091 10.758 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 118 8.599 11.273 -1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.076 10.094 -0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.552 11.545 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.234 12.038 -0.556 1.00 0.00 H new ATOM 1868 N VAL A 119 12.166 9.121 -0.507 1.00 0.00 N ATOM 1869 CA VAL A 119 12.933 8.002 0.115 1.00 0.00 C ATOM 1870 C VAL A 119 13.868 8.582 1.208 1.00 0.00 C ATOM 1871 O VAL A 119 14.301 9.710 1.091 1.00 0.00 O ATOM 1872 CB VAL A 119 13.770 7.400 -1.043 1.00 0.00 C ATOM 1873 CG1 VAL A 119 14.435 6.096 -0.594 1.00 0.00 C ATOM 1874 CG2 VAL A 119 12.874 7.100 -2.256 1.00 0.00 C ATOM 0 H VAL A 119 12.590 10.042 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 119 12.293 7.253 0.582 1.00 0.00 H new ATOM 0 HB VAL A 119 14.532 8.129 -1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 119 15.020 5.684 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 119 15.091 6.295 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 119 13.668 5.379 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 119 13.478 6.678 -3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 119 12.101 6.386 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 119 12.406 8.023 -2.600 1.00 0.00 H new ATOM 1884 N ASN A 120 14.141 7.839 2.283 1.00 0.00 N ATOM 1885 CA ASN A 120 15.024 8.369 3.407 1.00 0.00 C ATOM 1886 C ASN A 120 15.968 9.460 2.909 1.00 0.00 C ATOM 1887 O ASN A 120 16.156 10.468 3.560 1.00 0.00 O ATOM 1888 CB ASN A 120 15.844 7.157 3.927 1.00 0.00 C ATOM 1889 CG ASN A 120 16.044 7.284 5.435 1.00 0.00 C ATOM 1890 OD1 ASN A 120 15.683 8.279 6.033 1.00 0.00 O ATOM 1891 ND2 ASN A 120 16.614 6.303 6.072 1.00 0.00 N ATOM 0 H ASN A 120 13.791 6.892 2.429 1.00 0.00 H new ATOM 0 HA ASN A 120 14.413 8.814 4.192 1.00 0.00 H new ATOM 0 HB2 ASN A 120 15.324 6.227 3.696 1.00 0.00 H new ATOM 0 HB3 ASN A 120 16.810 7.116 3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 120 16.760 6.366 7.079 1.00 0.00 H new ATOM 0 HD22 ASN A 120 16.914 5.471 5.564 1.00 0.00 H new