USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 606 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 81 SER OG : rot 39:sc= 1.39 USER MOD Set 1.2: A 86 HIS : no HE2:sc= 0.52 K(o=1.9,f=-2.7) USER MOD Set 2.1: A 61 HIS : no HD1:sc= 0 X(o=0.027,f=0.027) USER MOD Set 2.2: A 64 GLN : amide:sc= 0.0275 K(o=0.027,f=-3.7!) USER MOD Single : A 26 MET CE :methyl -154:sc= -0.411 (180deg=-1.82) USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= 0.137 (180deg=-0.0375) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= -0.0166 (180deg=-0.182) USER MOD Single : A 32 THR OG1 : rot -37:sc= 1.21 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc=-0.000333 (180deg=-0.0457) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -170:sc= -1.16 USER MOD Single : A 46 SER OG : rot 180:sc= -0.142 USER MOD Single : A 48 GLN : amide:sc= -2.83 K(o=-2.8,f=-11!) USER MOD Single : A 49 GLN : amide:sc= -1.53! C(o=-1.5!,f=-4.9!) USER MOD Single : A 51 LYS NZ :NH3+ -120:sc= 1.29 (180deg=-1.32) USER MOD Single : A 55 SER OG : rot -26:sc= 0.857 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0.851 (180deg=0.851) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 140:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 1.91 (180deg=1.75) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= -0.0197 (180deg=-0.202) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.409 USER MOD Single : A 82 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.044) USER MOD Single : A 83 HIS : no HE2:sc= 0.356 K(o=0.39,f=-3.6!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 92 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=-0.0085) USER MOD Single : A 96 LYS NZ :NH3+ -169:sc= -0.0205 (180deg=-0.168) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -12.234 14.162 4.832 1.00 0.00 N ATOM 38 CA ILE A 25 -11.146 13.208 5.054 1.00 0.00 C ATOM 39 C ILE A 25 -10.560 12.809 3.677 1.00 0.00 C ATOM 40 O ILE A 25 -11.283 12.782 2.665 1.00 0.00 O ATOM 41 CB ILE A 25 -11.684 11.974 5.866 1.00 0.00 C ATOM 42 CG1 ILE A 25 -10.505 11.176 6.487 1.00 0.00 C ATOM 43 CG2 ILE A 25 -12.589 11.059 4.997 1.00 0.00 C ATOM 44 CD1 ILE A 25 -10.907 10.132 7.495 1.00 0.00 C ATOM 0 HA ILE A 25 -10.346 13.650 5.647 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.305 12.355 6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.951 10.690 5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.822 11.878 6.965 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.939 10.219 5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.445 11.630 4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.019 10.685 4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.017 9.628 7.872 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.432 10.609 8.323 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.563 9.402 7.021 1.00 0.00 H new ATOM 56 N MET A 26 -9.252 12.526 3.636 1.00 0.00 N ATOM 57 CA MET A 26 -8.508 12.402 2.375 1.00 0.00 C ATOM 58 C MET A 26 -8.704 11.001 1.773 1.00 0.00 C ATOM 59 O MET A 26 -8.345 9.988 2.390 1.00 0.00 O ATOM 60 CB MET A 26 -7.004 12.690 2.613 1.00 0.00 C ATOM 61 CG MET A 26 -6.207 12.915 1.336 1.00 0.00 C ATOM 62 SD MET A 26 -4.453 13.158 1.649 1.00 0.00 S ATOM 63 CE MET A 26 -3.908 11.490 1.992 1.00 0.00 C ATOM 0 H MET A 26 -8.683 12.377 4.469 1.00 0.00 H new ATOM 0 HA MET A 26 -8.893 13.135 1.666 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.909 13.571 3.248 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.567 11.854 3.160 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.339 12.059 0.674 1.00 0.00 H new ATOM 0 HG3 MET A 26 -6.603 13.786 0.814 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.022 11.520 2.627 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.702 10.945 2.503 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.667 10.986 1.056 1.00 0.00 H new ATOM 73 N LYS A 27 -9.299 10.960 0.572 1.00 0.00 N ATOM 74 CA LYS A 27 -9.664 9.710 -0.101 1.00 0.00 C ATOM 75 C LYS A 27 -8.520 9.252 -1.024 1.00 0.00 C ATOM 76 O LYS A 27 -8.306 9.830 -2.104 1.00 0.00 O ATOM 77 CB LYS A 27 -10.985 9.900 -0.891 1.00 0.00 C ATOM 78 CG LYS A 27 -12.147 10.545 -0.088 1.00 0.00 C ATOM 79 CD LYS A 27 -12.475 9.813 1.239 1.00 0.00 C ATOM 80 CE LYS A 27 -12.942 8.358 1.033 1.00 0.00 C ATOM 81 NZ LYS A 27 -14.154 8.263 0.182 1.00 0.00 N ATOM 0 H LYS A 27 -9.540 11.797 0.041 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.825 8.932 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.781 10.518 -1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.314 8.928 -1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.891 11.581 0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.041 10.564 -0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.591 9.817 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.252 10.365 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.136 7.783 0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.147 7.905 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.769 7.503 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.669 9.166 0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.875 8.054 -0.798 1.00 0.00 H new ATOM 95 N VAL A 28 -7.775 8.229 -0.573 1.00 0.00 N ATOM 96 CA VAL A 28 -6.620 7.672 -1.301 1.00 0.00 C ATOM 97 C VAL A 28 -7.044 6.408 -2.059 1.00 0.00 C ATOM 98 O VAL A 28 -7.443 5.421 -1.434 1.00 0.00 O ATOM 99 CB VAL A 28 -5.446 7.303 -0.319 1.00 0.00 C ATOM 100 CG1 VAL A 28 -4.141 6.984 -1.084 1.00 0.00 C ATOM 101 CG2 VAL A 28 -5.230 8.407 0.728 1.00 0.00 C ATOM 0 H VAL A 28 -7.958 7.761 0.314 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.269 8.433 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.736 6.396 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.354 6.734 -0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.308 6.139 -1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.840 7.854 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.413 8.124 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.982 9.342 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.142 8.539 1.311 1.00 0.00 H new ATOM 111 N THR A 29 -6.951 6.445 -3.393 1.00 0.00 N ATOM 112 CA THR A 29 -7.246 5.288 -4.235 1.00 0.00 C ATOM 113 C THR A 29 -5.993 4.388 -4.321 1.00 0.00 C ATOM 114 O THR A 29 -4.875 4.881 -4.458 1.00 0.00 O ATOM 115 CB THR A 29 -7.703 5.750 -5.659 1.00 0.00 C ATOM 116 OG1 THR A 29 -8.801 6.674 -5.533 1.00 0.00 O ATOM 117 CG2 THR A 29 -8.127 4.560 -6.550 1.00 0.00 C ATOM 0 H THR A 29 -6.670 7.276 -3.914 1.00 0.00 H new ATOM 0 HA THR A 29 -8.063 4.716 -3.794 1.00 0.00 H new ATOM 0 HB THR A 29 -6.853 6.234 -6.140 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.087 6.965 -6.424 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.436 4.930 -7.528 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.286 3.877 -6.669 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.959 4.033 -6.082 1.00 0.00 H new ATOM 125 N VAL A 30 -6.185 3.074 -4.150 1.00 0.00 N ATOM 126 CA VAL A 30 -5.122 2.066 -4.270 1.00 0.00 C ATOM 127 C VAL A 30 -5.431 1.159 -5.472 1.00 0.00 C ATOM 128 O VAL A 30 -6.478 0.495 -5.501 1.00 0.00 O ATOM 129 CB VAL A 30 -5.021 1.200 -2.959 1.00 0.00 C ATOM 130 CG1 VAL A 30 -3.854 0.194 -3.026 1.00 0.00 C ATOM 131 CG2 VAL A 30 -4.890 2.101 -1.719 1.00 0.00 C ATOM 0 H VAL A 30 -7.095 2.675 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.167 2.570 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.944 0.626 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.818 -0.384 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.002 -0.479 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.915 0.733 -3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.822 1.482 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.992 2.712 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.764 2.749 -1.646 1.00 0.00 H new ATOM 141 N LYS A 31 -4.528 1.145 -6.462 1.00 0.00 N ATOM 142 CA LYS A 31 -4.659 0.319 -7.670 1.00 0.00 C ATOM 143 C LYS A 31 -3.830 -0.960 -7.463 1.00 0.00 C ATOM 144 O LYS A 31 -2.609 -0.899 -7.329 1.00 0.00 O ATOM 145 CB LYS A 31 -4.182 1.130 -8.915 1.00 0.00 C ATOM 146 CG LYS A 31 -4.681 0.614 -10.293 1.00 0.00 C ATOM 147 CD LYS A 31 -4.065 -0.737 -10.734 1.00 0.00 C ATOM 148 CE LYS A 31 -4.597 -1.207 -12.092 1.00 0.00 C ATOM 149 NZ LYS A 31 -4.335 -0.216 -13.159 1.00 0.00 N ATOM 0 H LYS A 31 -3.680 1.711 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.698 0.040 -7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.506 2.164 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.092 1.137 -8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.765 0.510 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.458 1.365 -11.051 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.981 -0.639 -10.786 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.281 -1.495 -9.981 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.131 -2.156 -12.356 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.669 -1.387 -12.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.521 -0.647 -14.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.957 0.607 -13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.342 0.090 -13.113 1.00 0.00 H new ATOM 163 N THR A 32 -4.512 -2.111 -7.444 1.00 0.00 N ATOM 164 CA THR A 32 -3.896 -3.418 -7.158 1.00 0.00 C ATOM 165 C THR A 32 -4.033 -4.357 -8.373 1.00 0.00 C ATOM 166 O THR A 32 -4.814 -4.063 -9.292 1.00 0.00 O ATOM 167 CB THR A 32 -4.578 -4.050 -5.895 1.00 0.00 C ATOM 168 OG1 THR A 32 -5.943 -4.385 -6.174 1.00 0.00 O ATOM 169 CG2 THR A 32 -4.542 -3.088 -4.707 1.00 0.00 C ATOM 0 H THR A 32 -5.514 -2.165 -7.628 1.00 0.00 H new ATOM 0 HA THR A 32 -2.834 -3.277 -6.958 1.00 0.00 H new ATOM 0 HB THR A 32 -4.020 -4.952 -5.643 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.335 -3.702 -6.757 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.022 -3.554 -3.847 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.507 -2.852 -4.461 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.072 -2.171 -4.965 1.00 0.00 H new ATOM 177 N PRO A 33 -3.259 -5.497 -8.407 1.00 0.00 N ATOM 178 CA PRO A 33 -3.430 -6.571 -9.433 1.00 0.00 C ATOM 179 C PRO A 33 -4.842 -7.199 -9.419 1.00 0.00 C ATOM 180 O PRO A 33 -5.295 -7.770 -10.415 1.00 0.00 O ATOM 181 CB PRO A 33 -2.345 -7.618 -9.028 1.00 0.00 C ATOM 182 CG PRO A 33 -2.046 -7.321 -7.589 1.00 0.00 C ATOM 183 CD PRO A 33 -2.119 -5.825 -7.489 1.00 0.00 C ATOM 0 HA PRO A 33 -3.319 -6.190 -10.448 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.712 -8.637 -9.154 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.452 -7.522 -9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.769 -7.798 -6.927 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.061 -7.690 -7.304 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.311 -5.495 -6.468 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.191 -5.351 -7.808 1.00 0.00 H new ATOM 191 N LYS A 34 -5.516 -7.060 -8.273 1.00 0.00 N ATOM 192 CA LYS A 34 -6.818 -7.676 -7.998 1.00 0.00 C ATOM 193 C LYS A 34 -7.958 -6.783 -8.513 1.00 0.00 C ATOM 194 O LYS A 34 -8.816 -7.225 -9.283 1.00 0.00 O ATOM 195 CB LYS A 34 -6.928 -7.888 -6.457 1.00 0.00 C ATOM 196 CG LYS A 34 -5.729 -8.670 -5.857 1.00 0.00 C ATOM 197 CD LYS A 34 -5.681 -8.666 -4.313 1.00 0.00 C ATOM 198 CE LYS A 34 -6.918 -9.278 -3.640 1.00 0.00 C ATOM 199 NZ LYS A 34 -7.100 -10.708 -3.980 1.00 0.00 N ATOM 0 H LYS A 34 -5.164 -6.504 -7.494 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.902 -8.633 -8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.000 -6.917 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.850 -8.425 -6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.771 -9.702 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.802 -8.242 -6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.797 -9.214 -3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.565 -7.639 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.828 -9.174 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.805 -8.721 -3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.948 -11.074 -3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.213 -10.809 -5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.267 -11.248 -3.669 1.00 0.00 H new ATOM 213 N GLU A 35 -7.918 -5.509 -8.108 1.00 0.00 N ATOM 214 CA GLU A 35 -9.040 -4.564 -8.266 1.00 0.00 C ATOM 215 C GLU A 35 -8.546 -3.117 -8.055 1.00 0.00 C ATOM 216 O GLU A 35 -7.341 -2.853 -8.107 1.00 0.00 O ATOM 217 CB GLU A 35 -10.146 -4.931 -7.237 1.00 0.00 C ATOM 218 CG GLU A 35 -9.675 -4.838 -5.772 1.00 0.00 C ATOM 219 CD GLU A 35 -10.696 -5.359 -4.764 1.00 0.00 C ATOM 220 OE1 GLU A 35 -11.821 -4.827 -4.729 1.00 0.00 O ATOM 221 OE2 GLU A 35 -10.358 -6.254 -3.955 1.00 0.00 O ATOM 0 H GLU A 35 -7.101 -5.097 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.451 -4.632 -9.273 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.999 -4.267 -7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.494 -5.945 -7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.748 -5.401 -5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.446 -3.798 -5.539 1.00 0.00 H new ATOM 228 N LYS A 36 -9.483 -2.178 -7.852 1.00 0.00 N ATOM 229 CA LYS A 36 -9.164 -0.799 -7.432 1.00 0.00 C ATOM 230 C LYS A 36 -10.067 -0.397 -6.246 1.00 0.00 C ATOM 231 O LYS A 36 -11.296 -0.491 -6.316 1.00 0.00 O ATOM 232 CB LYS A 36 -9.299 0.192 -8.624 1.00 0.00 C ATOM 233 CG LYS A 36 -10.683 0.206 -9.319 1.00 0.00 C ATOM 234 CD LYS A 36 -10.762 1.210 -10.498 1.00 0.00 C ATOM 235 CE LYS A 36 -10.556 2.674 -10.056 1.00 0.00 C ATOM 236 NZ LYS A 36 -11.590 3.120 -9.086 1.00 0.00 N ATOM 0 H LYS A 36 -10.481 -2.350 -7.973 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.126 -0.756 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.081 1.198 -8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.540 -0.053 -9.367 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.908 -0.795 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.449 0.456 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.007 0.951 -11.241 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.733 1.116 -10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.569 2.780 -9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.579 3.322 -10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.472 4.136 -8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.536 2.950 -9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.486 2.587 -8.199 1.00 0.00 H new ATOM 250 N GLU A 37 -9.441 0.046 -5.155 1.00 0.00 N ATOM 251 CA GLU A 37 -10.122 0.396 -3.890 1.00 0.00 C ATOM 252 C GLU A 37 -9.800 1.857 -3.532 1.00 0.00 C ATOM 253 O GLU A 37 -8.969 2.476 -4.188 1.00 0.00 O ATOM 254 CB GLU A 37 -9.647 -0.592 -2.781 1.00 0.00 C ATOM 255 CG GLU A 37 -10.327 -0.462 -1.397 1.00 0.00 C ATOM 256 CD GLU A 37 -11.859 -0.530 -1.461 1.00 0.00 C ATOM 257 OE1 GLU A 37 -12.396 -1.599 -1.792 1.00 0.00 O ATOM 258 OE2 GLU A 37 -12.530 0.490 -1.204 1.00 0.00 O ATOM 0 H GLU A 37 -8.430 0.177 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.204 0.308 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.802 -1.609 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.573 -0.462 -2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.963 -1.256 -0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.031 0.484 -0.943 1.00 0.00 H new ATOM 265 N GLU A 38 -10.489 2.414 -2.524 1.00 0.00 N ATOM 266 CA GLU A 38 -10.245 3.771 -2.030 1.00 0.00 C ATOM 267 C GLU A 38 -10.536 3.828 -0.524 1.00 0.00 C ATOM 268 O GLU A 38 -11.647 3.512 -0.089 1.00 0.00 O ATOM 269 CB GLU A 38 -11.124 4.778 -2.804 1.00 0.00 C ATOM 270 CG GLU A 38 -10.888 6.254 -2.440 1.00 0.00 C ATOM 271 CD GLU A 38 -11.811 7.194 -3.219 1.00 0.00 C ATOM 272 OE1 GLU A 38 -11.489 7.533 -4.372 1.00 0.00 O ATOM 273 OE2 GLU A 38 -12.879 7.577 -2.692 1.00 0.00 O ATOM 0 H GLU A 38 -11.236 1.929 -2.027 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.201 4.039 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.946 4.649 -3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.172 4.537 -2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.048 6.393 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.850 6.516 -2.643 1.00 0.00 H new ATOM 280 N PHE A 39 -9.520 4.218 0.265 1.00 0.00 N ATOM 281 CA PHE A 39 -9.612 4.314 1.735 1.00 0.00 C ATOM 282 C PHE A 39 -9.723 5.782 2.171 1.00 0.00 C ATOM 283 O PHE A 39 -9.357 6.696 1.421 1.00 0.00 O ATOM 284 CB PHE A 39 -8.381 3.646 2.394 1.00 0.00 C ATOM 285 CG PHE A 39 -8.217 2.176 2.011 1.00 0.00 C ATOM 286 CD1 PHE A 39 -8.916 1.177 2.687 1.00 0.00 C ATOM 287 CD2 PHE A 39 -7.381 1.800 0.961 1.00 0.00 C ATOM 288 CE1 PHE A 39 -8.778 -0.148 2.327 1.00 0.00 C ATOM 289 CE2 PHE A 39 -7.247 0.475 0.601 1.00 0.00 C ATOM 290 CZ PHE A 39 -7.945 -0.499 1.286 1.00 0.00 C ATOM 0 H PHE A 39 -8.604 4.478 -0.101 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.509 3.789 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -7.482 4.192 2.107 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.469 3.725 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.573 1.443 3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.830 2.557 0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -9.324 -0.911 2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.597 0.200 -0.216 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.839 -1.537 1.006 1.00 0.00 H new ATOM 300 N ALA A 40 -10.228 5.989 3.394 1.00 0.00 N ATOM 301 CA ALA A 40 -10.385 7.320 3.997 1.00 0.00 C ATOM 302 C ALA A 40 -9.399 7.475 5.162 1.00 0.00 C ATOM 303 O ALA A 40 -9.477 6.732 6.148 1.00 0.00 O ATOM 304 CB ALA A 40 -11.829 7.491 4.471 1.00 0.00 C ATOM 0 H ALA A 40 -10.542 5.230 3.999 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.168 8.094 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.950 8.477 4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.505 7.393 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.062 6.725 5.211 1.00 0.00 H new ATOM 310 N VAL A 41 -8.468 8.431 5.028 1.00 0.00 N ATOM 311 CA VAL A 41 -7.393 8.687 6.010 1.00 0.00 C ATOM 312 C VAL A 41 -7.240 10.211 6.194 1.00 0.00 C ATOM 313 O VAL A 41 -7.472 10.956 5.246 1.00 0.00 O ATOM 314 CB VAL A 41 -6.016 8.054 5.557 1.00 0.00 C ATOM 315 CG1 VAL A 41 -6.106 6.513 5.420 1.00 0.00 C ATOM 316 CG2 VAL A 41 -5.480 8.695 4.255 1.00 0.00 C ATOM 0 H VAL A 41 -8.436 9.059 4.225 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.668 8.216 6.954 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.300 8.275 6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.139 6.118 5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.382 6.078 6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.860 6.257 4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.533 8.229 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.202 8.546 3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.327 9.763 4.411 1.00 0.00 H new ATOM 326 N PRO A 42 -6.885 10.726 7.413 1.00 0.00 N ATOM 327 CA PRO A 42 -6.846 12.197 7.686 1.00 0.00 C ATOM 328 C PRO A 42 -5.519 12.851 7.222 1.00 0.00 C ATOM 329 O PRO A 42 -5.016 13.775 7.866 1.00 0.00 O ATOM 330 CB PRO A 42 -6.997 12.223 9.222 1.00 0.00 C ATOM 331 CG PRO A 42 -6.244 11.008 9.681 1.00 0.00 C ATOM 332 CD PRO A 42 -6.505 9.943 8.627 1.00 0.00 C ATOM 0 HA PRO A 42 -7.608 12.764 7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.581 13.136 9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.044 12.180 9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.178 11.218 9.771 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.588 10.681 10.662 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.620 9.332 8.448 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.303 9.266 8.932 1.00 0.00 H new ATOM 340 N GLU A 43 -5.000 12.352 6.075 1.00 0.00 N ATOM 341 CA GLU A 43 -3.653 12.629 5.495 1.00 0.00 C ATOM 342 C GLU A 43 -2.473 12.518 6.493 1.00 0.00 C ATOM 343 O GLU A 43 -1.340 12.874 6.152 1.00 0.00 O ATOM 344 CB GLU A 43 -3.616 13.969 4.691 1.00 0.00 C ATOM 345 CG GLU A 43 -3.632 15.273 5.502 1.00 0.00 C ATOM 346 CD GLU A 43 -3.741 16.513 4.607 1.00 0.00 C ATOM 347 OE1 GLU A 43 -2.699 17.039 4.158 1.00 0.00 O ATOM 348 OE2 GLU A 43 -4.876 16.954 4.330 1.00 0.00 O ATOM 0 H GLU A 43 -5.536 11.708 5.493 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.494 11.813 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.719 13.967 4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.471 13.981 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.471 15.255 6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.723 15.338 6.100 1.00 0.00 H new ATOM 355 N ASN A 44 -2.726 11.959 7.690 1.00 0.00 N ATOM 356 CA ASN A 44 -1.704 11.735 8.722 1.00 0.00 C ATOM 357 C ASN A 44 -1.204 10.289 8.626 1.00 0.00 C ATOM 358 O ASN A 44 -0.057 9.987 8.979 1.00 0.00 O ATOM 359 CB ASN A 44 -2.304 12.009 10.129 1.00 0.00 C ATOM 360 CG ASN A 44 -1.259 12.008 11.255 1.00 0.00 C ATOM 361 OD1 ASN A 44 -0.679 13.043 11.575 1.00 0.00 O ATOM 362 ND2 ASN A 44 -1.009 10.849 11.857 1.00 0.00 N ATOM 0 H ASN A 44 -3.657 11.648 7.969 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.867 12.416 8.566 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.811 12.974 10.117 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.060 11.254 10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.319 10.802 12.607 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.507 10.007 11.569 1.00 0.00 H new ATOM 369 N SER A 45 -2.100 9.399 8.135 1.00 0.00 N ATOM 370 CA SER A 45 -1.826 7.974 7.968 1.00 0.00 C ATOM 371 C SER A 45 -0.693 7.768 6.959 1.00 0.00 C ATOM 372 O SER A 45 -0.880 7.943 5.748 1.00 0.00 O ATOM 373 CB SER A 45 -3.103 7.243 7.521 1.00 0.00 C ATOM 374 OG SER A 45 -4.196 7.588 8.357 1.00 0.00 O ATOM 0 H SER A 45 -3.040 9.666 7.844 1.00 0.00 H new ATOM 0 HA SER A 45 -1.508 7.556 8.923 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.333 7.502 6.487 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.941 6.166 7.552 1.00 0.00 H new ATOM 0 HG SER A 45 -4.956 7.001 8.161 1.00 0.00 H new ATOM 380 N SER A 46 0.492 7.471 7.492 1.00 0.00 N ATOM 381 CA SER A 46 1.675 7.154 6.694 1.00 0.00 C ATOM 382 C SER A 46 1.577 5.710 6.177 1.00 0.00 C ATOM 383 O SER A 46 0.616 5.014 6.504 1.00 0.00 O ATOM 384 CB SER A 46 2.924 7.372 7.566 1.00 0.00 C ATOM 385 OG SER A 46 2.912 8.669 8.148 1.00 0.00 O ATOM 0 H SER A 46 0.659 7.444 8.498 1.00 0.00 H new ATOM 0 HA SER A 46 1.744 7.806 5.823 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.962 6.616 8.351 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.822 7.248 6.961 1.00 0.00 H new ATOM 0 HG SER A 46 3.713 8.787 8.700 1.00 0.00 H new ATOM 391 N VAL A 47 2.570 5.268 5.383 1.00 0.00 N ATOM 392 CA VAL A 47 2.537 3.945 4.716 1.00 0.00 C ATOM 393 C VAL A 47 2.381 2.789 5.736 1.00 0.00 C ATOM 394 O VAL A 47 1.565 1.887 5.531 1.00 0.00 O ATOM 395 CB VAL A 47 3.817 3.752 3.827 1.00 0.00 C ATOM 396 CG1 VAL A 47 3.931 2.321 3.241 1.00 0.00 C ATOM 397 CG2 VAL A 47 3.849 4.813 2.699 1.00 0.00 C ATOM 0 H VAL A 47 3.412 5.809 5.185 1.00 0.00 H new ATOM 0 HA VAL A 47 1.659 3.917 4.070 1.00 0.00 H new ATOM 0 HB VAL A 47 4.682 3.890 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.834 2.247 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.979 1.597 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.060 2.112 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.741 4.669 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.962 4.707 2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.867 5.810 3.138 1.00 0.00 H new ATOM 407 N GLN A 48 3.140 2.862 6.847 1.00 0.00 N ATOM 408 CA GLN A 48 3.065 1.880 7.964 1.00 0.00 C ATOM 409 C GLN A 48 1.650 1.763 8.603 1.00 0.00 C ATOM 410 O GLN A 48 1.311 0.712 9.146 1.00 0.00 O ATOM 411 CB GLN A 48 4.178 2.125 9.057 1.00 0.00 C ATOM 412 CG GLN A 48 4.804 3.547 9.167 1.00 0.00 C ATOM 413 CD GLN A 48 3.896 4.657 9.700 1.00 0.00 C ATOM 414 OE1 GLN A 48 2.699 4.672 9.482 1.00 0.00 O ATOM 415 NE2 GLN A 48 4.481 5.618 10.402 1.00 0.00 N ATOM 0 H GLN A 48 3.825 3.601 7.002 1.00 0.00 H new ATOM 0 HA GLN A 48 3.266 0.913 7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.752 1.873 10.028 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.987 1.419 8.872 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.680 3.484 9.813 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.157 3.841 8.179 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.486 5.585 10.573 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.926 6.390 10.771 1.00 0.00 H new ATOM 424 N GLN A 49 0.860 2.838 8.550 1.00 0.00 N ATOM 425 CA GLN A 49 -0.528 2.860 9.070 1.00 0.00 C ATOM 426 C GLN A 49 -1.544 2.491 7.968 1.00 0.00 C ATOM 427 O GLN A 49 -2.578 1.867 8.239 1.00 0.00 O ATOM 428 CB GLN A 49 -0.839 4.264 9.653 1.00 0.00 C ATOM 429 CG GLN A 49 -0.078 4.591 10.959 1.00 0.00 C ATOM 430 CD GLN A 49 -0.220 6.048 11.421 1.00 0.00 C ATOM 431 OE1 GLN A 49 -0.333 6.970 10.617 1.00 0.00 O ATOM 432 NE2 GLN A 49 -0.207 6.271 12.724 1.00 0.00 N ATOM 0 H GLN A 49 1.157 3.726 8.145 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.617 2.114 9.860 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.595 5.018 8.905 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.910 4.338 9.842 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.438 3.934 11.751 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.979 4.368 10.816 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.112 5.491 13.374 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.292 7.223 13.079 1.00 0.00 H new ATOM 441 N PHE A 50 -1.209 2.860 6.724 1.00 0.00 N ATOM 442 CA PHE A 50 -2.134 2.796 5.580 1.00 0.00 C ATOM 443 C PHE A 50 -2.267 1.375 5.021 1.00 0.00 C ATOM 444 O PHE A 50 -3.374 0.932 4.687 1.00 0.00 O ATOM 445 CB PHE A 50 -1.652 3.767 4.476 1.00 0.00 C ATOM 446 CG PHE A 50 -2.590 3.861 3.275 1.00 0.00 C ATOM 447 CD1 PHE A 50 -3.877 4.381 3.422 1.00 0.00 C ATOM 448 CD2 PHE A 50 -2.191 3.440 2.004 1.00 0.00 C ATOM 449 CE1 PHE A 50 -4.730 4.474 2.347 1.00 0.00 C ATOM 450 CE2 PHE A 50 -3.049 3.539 0.933 1.00 0.00 C ATOM 451 CZ PHE A 50 -4.317 4.057 1.104 1.00 0.00 C ATOM 0 H PHE A 50 -0.284 3.214 6.480 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.123 3.093 5.929 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.532 4.760 4.908 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.668 3.448 4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.208 4.715 4.394 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.201 3.033 1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.724 4.875 2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.729 3.210 -0.045 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.986 4.135 0.260 1.00 0.00 H new ATOM 461 N LYS A 51 -1.131 0.664 4.916 1.00 0.00 N ATOM 462 CA LYS A 51 -1.097 -0.684 4.325 1.00 0.00 C ATOM 463 C LYS A 51 -1.788 -1.713 5.252 1.00 0.00 C ATOM 464 O LYS A 51 -2.105 -2.816 4.832 1.00 0.00 O ATOM 465 CB LYS A 51 0.363 -1.087 3.899 1.00 0.00 C ATOM 466 CG LYS A 51 1.220 -1.917 4.890 1.00 0.00 C ATOM 467 CD LYS A 51 1.458 -1.257 6.270 1.00 0.00 C ATOM 468 CE LYS A 51 2.539 -1.993 7.083 1.00 0.00 C ATOM 469 NZ LYS A 51 2.621 -1.544 8.493 1.00 0.00 N ATOM 0 H LYS A 51 -0.223 1.002 5.234 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.677 -0.677 3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.293 -1.650 2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.909 -0.170 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.735 -2.881 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.187 -2.117 4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.756 -0.218 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.525 -1.247 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.334 -3.063 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.507 -1.844 6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.572 -1.167 8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.914 -0.800 8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.435 -2.349 9.125 1.00 0.00 H new ATOM 483 N GLU A 52 -2.001 -1.321 6.526 1.00 0.00 N ATOM 484 CA GLU A 52 -2.797 -2.099 7.492 1.00 0.00 C ATOM 485 C GLU A 52 -4.284 -2.098 7.087 1.00 0.00 C ATOM 486 O GLU A 52 -4.972 -3.117 7.190 1.00 0.00 O ATOM 487 CB GLU A 52 -2.633 -1.516 8.912 1.00 0.00 C ATOM 488 CG GLU A 52 -1.172 -1.431 9.389 1.00 0.00 C ATOM 489 CD GLU A 52 -1.055 -0.935 10.836 1.00 0.00 C ATOM 490 OE1 GLU A 52 -1.407 0.225 11.108 1.00 0.00 O ATOM 491 OE2 GLU A 52 -0.628 -1.706 11.714 1.00 0.00 O ATOM 0 H GLU A 52 -1.624 -0.455 6.912 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.436 -3.127 7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.071 -0.518 8.937 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.198 -2.130 9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.708 -2.414 9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.617 -0.761 8.732 1.00 0.00 H new ATOM 498 N GLU A 53 -4.764 -0.934 6.626 1.00 0.00 N ATOM 499 CA GLU A 53 -6.146 -0.768 6.140 1.00 0.00 C ATOM 500 C GLU A 53 -6.357 -1.553 4.848 1.00 0.00 C ATOM 501 O GLU A 53 -7.441 -2.099 4.608 1.00 0.00 O ATOM 502 CB GLU A 53 -6.468 0.735 5.937 1.00 0.00 C ATOM 503 CG GLU A 53 -6.201 1.600 7.183 1.00 0.00 C ATOM 504 CD GLU A 53 -6.817 1.003 8.461 1.00 0.00 C ATOM 505 OE1 GLU A 53 -8.054 1.037 8.602 1.00 0.00 O ATOM 506 OE2 GLU A 53 -6.071 0.454 9.308 1.00 0.00 O ATOM 0 H GLU A 53 -4.208 -0.080 6.579 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.831 -1.165 6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.873 1.116 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.515 0.838 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.125 1.711 7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.606 2.599 7.021 1.00 0.00 H new ATOM 513 N ILE A 54 -5.297 -1.593 4.032 1.00 0.00 N ATOM 514 CA ILE A 54 -5.258 -2.395 2.816 1.00 0.00 C ATOM 515 C ILE A 54 -5.339 -3.900 3.154 1.00 0.00 C ATOM 516 O ILE A 54 -6.182 -4.606 2.613 1.00 0.00 O ATOM 517 CB ILE A 54 -3.959 -2.104 1.984 1.00 0.00 C ATOM 518 CG1 ILE A 54 -3.874 -0.599 1.565 1.00 0.00 C ATOM 519 CG2 ILE A 54 -3.880 -3.024 0.748 1.00 0.00 C ATOM 520 CD1 ILE A 54 -2.598 -0.212 0.826 1.00 0.00 C ATOM 0 H ILE A 54 -4.441 -1.065 4.203 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.122 -2.119 2.212 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.103 -2.318 2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.729 -0.364 0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.960 0.018 2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.971 -2.803 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.864 -4.065 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.749 -2.854 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.629 0.849 0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.735 -0.410 1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.516 -0.798 -0.090 1.00 0.00 H new ATOM 532 N SER A 55 -4.471 -4.357 4.078 1.00 0.00 N ATOM 533 CA SER A 55 -4.276 -5.793 4.370 1.00 0.00 C ATOM 534 C SER A 55 -5.568 -6.468 4.845 1.00 0.00 C ATOM 535 O SER A 55 -5.916 -7.544 4.373 1.00 0.00 O ATOM 536 CB SER A 55 -3.159 -5.982 5.411 1.00 0.00 C ATOM 537 OG SER A 55 -3.461 -5.320 6.622 1.00 0.00 O ATOM 0 H SER A 55 -3.885 -3.742 4.643 1.00 0.00 H new ATOM 0 HA SER A 55 -3.982 -6.275 3.438 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.015 -7.045 5.603 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.220 -5.600 5.011 1.00 0.00 H new ATOM 0 HG SER A 55 -4.067 -4.571 6.443 1.00 0.00 H new ATOM 543 N LYS A 56 -6.273 -5.812 5.776 1.00 0.00 N ATOM 544 CA LYS A 56 -7.529 -6.340 6.342 1.00 0.00 C ATOM 545 C LYS A 56 -8.650 -6.402 5.287 1.00 0.00 C ATOM 546 O LYS A 56 -9.484 -7.300 5.328 1.00 0.00 O ATOM 547 CB LYS A 56 -7.977 -5.488 7.564 1.00 0.00 C ATOM 548 CG LYS A 56 -8.286 -4.005 7.244 1.00 0.00 C ATOM 549 CD LYS A 56 -8.919 -3.242 8.432 1.00 0.00 C ATOM 550 CE LYS A 56 -7.998 -3.148 9.657 1.00 0.00 C ATOM 551 NZ LYS A 56 -6.743 -2.417 9.363 1.00 0.00 N ATOM 0 H LYS A 56 -5.995 -4.908 6.158 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.335 -7.360 6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.866 -5.944 8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.195 -5.526 8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.364 -3.504 6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.961 -3.958 6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.184 -2.236 8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.846 -3.738 8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.526 -2.647 10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.758 -4.152 10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.154 -2.379 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.224 -2.908 8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.969 -1.449 9.055 1.00 0.00 H new ATOM 565 N ARG A 57 -8.645 -5.455 4.332 1.00 0.00 N ATOM 566 CA ARG A 57 -9.709 -5.349 3.316 1.00 0.00 C ATOM 567 C ARG A 57 -9.476 -6.381 2.184 1.00 0.00 C ATOM 568 O ARG A 57 -10.407 -7.088 1.768 1.00 0.00 O ATOM 569 CB ARG A 57 -9.787 -3.873 2.780 1.00 0.00 C ATOM 570 CG ARG A 57 -11.225 -3.334 2.560 1.00 0.00 C ATOM 571 CD ARG A 57 -11.979 -4.041 1.421 1.00 0.00 C ATOM 572 NE ARG A 57 -11.454 -3.654 0.106 1.00 0.00 N ATOM 573 CZ ARG A 57 -11.013 -4.476 -0.860 1.00 0.00 C ATOM 574 NH1 ARG A 57 -10.957 -5.791 -0.698 1.00 0.00 N ATOM 575 NH2 ARG A 57 -10.618 -3.956 -1.991 1.00 0.00 N ATOM 0 H ARG A 57 -7.914 -4.750 4.242 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.674 -5.585 3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.273 -3.219 3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.244 -3.815 1.836 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.792 -3.446 3.484 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.175 -2.267 2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.896 -5.121 1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.039 -3.795 1.477 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.421 -2.655 -0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.255 -6.209 0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.616 -6.384 -1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.648 -2.945 -2.126 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.279 -4.560 -2.739 1.00 0.00 H new ATOM 589 N PHE A 58 -8.220 -6.464 1.717 1.00 0.00 N ATOM 590 CA PHE A 58 -7.794 -7.388 0.645 1.00 0.00 C ATOM 591 C PHE A 58 -7.486 -8.798 1.198 1.00 0.00 C ATOM 592 O PHE A 58 -7.166 -9.701 0.414 1.00 0.00 O ATOM 593 CB PHE A 58 -6.548 -6.810 -0.085 1.00 0.00 C ATOM 594 CG PHE A 58 -6.846 -5.583 -0.959 1.00 0.00 C ATOM 595 CD1 PHE A 58 -7.005 -4.316 -0.402 1.00 0.00 C ATOM 596 CD2 PHE A 58 -6.991 -5.709 -2.336 1.00 0.00 C ATOM 597 CE1 PHE A 58 -7.287 -3.220 -1.192 1.00 0.00 C ATOM 598 CE2 PHE A 58 -7.281 -4.617 -3.120 1.00 0.00 C ATOM 599 CZ PHE A 58 -7.426 -3.374 -2.552 1.00 0.00 C ATOM 0 H PHE A 58 -7.460 -5.886 2.075 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.616 -7.486 -0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.798 -6.540 0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.112 -7.590 -0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.906 -4.189 0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.874 -6.679 -2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.398 -2.244 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.395 -4.737 -4.187 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.649 -2.519 -3.173 1.00 0.00 H new ATOM 609 N LYS A 59 -7.561 -8.962 2.550 1.00 0.00 N ATOM 610 CA LYS A 59 -7.326 -10.252 3.260 1.00 0.00 C ATOM 611 C LYS A 59 -5.897 -10.776 2.990 1.00 0.00 C ATOM 612 O LYS A 59 -5.644 -11.980 2.923 1.00 0.00 O ATOM 613 CB LYS A 59 -8.446 -11.276 2.891 1.00 0.00 C ATOM 614 CG LYS A 59 -9.872 -10.759 3.207 1.00 0.00 C ATOM 615 CD LYS A 59 -10.122 -10.559 4.720 1.00 0.00 C ATOM 616 CE LYS A 59 -11.421 -9.788 5.011 1.00 0.00 C ATOM 617 NZ LYS A 59 -12.631 -10.489 4.540 1.00 0.00 N ATOM 0 H LYS A 59 -7.788 -8.195 3.182 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.386 -10.095 4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.379 -11.512 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.274 -12.205 3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.032 -9.813 2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.604 -11.465 2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.165 -11.532 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.280 -10.021 5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.502 -9.618 6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.369 -8.808 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.472 -9.920 4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.573 -10.629 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.702 -11.413 5.011 1.00 0.00 H new ATOM 631 N SER A 60 -4.974 -9.812 2.887 1.00 0.00 N ATOM 632 CA SER A 60 -3.548 -10.027 2.621 1.00 0.00 C ATOM 633 C SER A 60 -2.721 -9.736 3.890 1.00 0.00 C ATOM 634 O SER A 60 -3.233 -9.139 4.838 1.00 0.00 O ATOM 635 CB SER A 60 -3.132 -9.077 1.473 1.00 0.00 C ATOM 636 OG SER A 60 -3.937 -9.288 0.317 1.00 0.00 O ATOM 0 H SER A 60 -5.209 -8.825 2.991 1.00 0.00 H new ATOM 0 HA SER A 60 -3.365 -11.063 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.225 -8.042 1.801 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.083 -9.239 1.224 1.00 0.00 H new ATOM 0 HG SER A 60 -4.152 -8.425 -0.094 1.00 0.00 H new ATOM 642 N HIS A 61 -1.448 -10.173 3.907 1.00 0.00 N ATOM 643 CA HIS A 61 -0.477 -9.770 4.956 1.00 0.00 C ATOM 644 C HIS A 61 0.186 -8.446 4.540 1.00 0.00 C ATOM 645 O HIS A 61 0.413 -8.229 3.348 1.00 0.00 O ATOM 646 CB HIS A 61 0.609 -10.861 5.184 1.00 0.00 C ATOM 647 CG HIS A 61 0.093 -12.154 5.778 1.00 0.00 C ATOM 648 ND1 HIS A 61 0.117 -12.422 7.129 1.00 0.00 N ATOM 649 CD2 HIS A 61 -0.462 -13.246 5.200 1.00 0.00 C ATOM 650 CE1 HIS A 61 -0.398 -13.613 7.353 1.00 0.00 C ATOM 651 NE2 HIS A 61 -0.760 -14.136 6.200 1.00 0.00 N ATOM 0 H HIS A 61 -1.062 -10.807 3.207 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.015 -9.644 5.896 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.089 -11.081 4.230 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.378 -10.456 5.842 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.638 -13.390 4.144 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.505 -14.082 8.320 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.191 -15.052 6.072 1.00 0.00 H new ATOM 660 N THR A 62 0.514 -7.583 5.525 1.00 0.00 N ATOM 661 CA THR A 62 1.140 -6.264 5.274 1.00 0.00 C ATOM 662 C THR A 62 2.559 -6.411 4.689 1.00 0.00 C ATOM 663 O THR A 62 3.030 -5.543 3.943 1.00 0.00 O ATOM 664 CB THR A 62 1.199 -5.407 6.582 1.00 0.00 C ATOM 665 OG1 THR A 62 1.771 -6.168 7.648 1.00 0.00 O ATOM 666 CG2 THR A 62 -0.174 -4.903 7.023 1.00 0.00 C ATOM 0 H THR A 62 0.354 -7.778 6.513 1.00 0.00 H new ATOM 0 HA THR A 62 0.514 -5.752 4.543 1.00 0.00 H new ATOM 0 HB THR A 62 1.819 -4.540 6.352 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.804 -5.620 8.460 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.070 -4.315 7.935 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.603 -4.281 6.237 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.830 -5.753 7.212 1.00 0.00 H new ATOM 674 N ASP A 63 3.216 -7.522 5.047 1.00 0.00 N ATOM 675 CA ASP A 63 4.552 -7.892 4.548 1.00 0.00 C ATOM 676 C ASP A 63 4.495 -8.252 3.040 1.00 0.00 C ATOM 677 O ASP A 63 5.467 -8.050 2.307 1.00 0.00 O ATOM 678 CB ASP A 63 5.087 -9.077 5.407 1.00 0.00 C ATOM 679 CG ASP A 63 6.491 -9.593 5.024 1.00 0.00 C ATOM 680 OD1 ASP A 63 7.380 -8.772 4.731 1.00 0.00 O ATOM 681 OD2 ASP A 63 6.709 -10.826 5.013 1.00 0.00 O ATOM 0 H ASP A 63 2.830 -8.202 5.702 1.00 0.00 H new ATOM 0 HA ASP A 63 5.235 -7.048 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.105 -8.767 6.452 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.382 -9.905 5.333 1.00 0.00 H new ATOM 686 N GLN A 64 3.327 -8.752 2.592 1.00 0.00 N ATOM 687 CA GLN A 64 3.068 -9.100 1.173 1.00 0.00 C ATOM 688 C GLN A 64 2.664 -7.866 0.338 1.00 0.00 C ATOM 689 O GLN A 64 2.556 -7.948 -0.892 1.00 0.00 O ATOM 690 CB GLN A 64 1.972 -10.196 1.104 1.00 0.00 C ATOM 691 CG GLN A 64 2.455 -11.581 1.583 1.00 0.00 C ATOM 692 CD GLN A 64 1.334 -12.584 1.831 1.00 0.00 C ATOM 693 OE1 GLN A 64 0.244 -12.218 2.256 1.00 0.00 O ATOM 694 NE2 GLN A 64 1.585 -13.846 1.546 1.00 0.00 N ATOM 0 H GLN A 64 2.530 -8.928 3.204 1.00 0.00 H new ATOM 0 HA GLN A 64 3.993 -9.482 0.741 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.121 -9.887 1.711 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.617 -10.279 0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.137 -11.992 0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.025 -11.456 2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.503 -14.116 1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.861 -14.552 1.677 1.00 0.00 H new ATOM 703 N LEU A 65 2.452 -6.728 1.013 1.00 0.00 N ATOM 704 CA LEU A 65 2.064 -5.466 0.365 1.00 0.00 C ATOM 705 C LEU A 65 3.285 -4.560 0.181 1.00 0.00 C ATOM 706 O LEU A 65 3.922 -4.188 1.165 1.00 0.00 O ATOM 707 CB LEU A 65 1.016 -4.734 1.237 1.00 0.00 C ATOM 708 CG LEU A 65 -0.248 -5.553 1.615 1.00 0.00 C ATOM 709 CD1 LEU A 65 -1.174 -4.743 2.531 1.00 0.00 C ATOM 710 CD2 LEU A 65 -1.003 -6.046 0.369 1.00 0.00 C ATOM 0 H LEU A 65 2.545 -6.656 2.026 1.00 0.00 H new ATOM 0 HA LEU A 65 1.640 -5.694 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.502 -4.408 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.698 -3.835 0.709 1.00 0.00 H new ATOM 0 HG LEU A 65 0.088 -6.434 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.051 -5.340 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.642 -4.480 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.487 -3.833 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.881 -6.615 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.316 -5.190 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.348 -6.683 -0.225 1.00 0.00 H new ATOM 722 N VAL A 66 3.604 -4.207 -1.073 1.00 0.00 N ATOM 723 CA VAL A 66 4.607 -3.173 -1.387 1.00 0.00 C ATOM 724 C VAL A 66 3.944 -2.069 -2.234 1.00 0.00 C ATOM 725 O VAL A 66 3.448 -2.324 -3.341 1.00 0.00 O ATOM 726 CB VAL A 66 5.896 -3.763 -2.100 1.00 0.00 C ATOM 727 CG1 VAL A 66 6.756 -4.585 -1.103 1.00 0.00 C ATOM 728 CG2 VAL A 66 5.535 -4.625 -3.341 1.00 0.00 C ATOM 0 H VAL A 66 3.176 -4.628 -1.898 1.00 0.00 H new ATOM 0 HA VAL A 66 4.963 -2.747 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 66 6.481 -2.913 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.633 -4.978 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.074 -3.943 -0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.165 -5.412 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.448 -5.008 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.906 -5.460 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.997 -4.013 -4.065 1.00 0.00 H new ATOM 738 N LEU A 67 3.884 -0.849 -1.675 1.00 0.00 N ATOM 739 CA LEU A 67 3.360 0.327 -2.377 1.00 0.00 C ATOM 740 C LEU A 67 4.472 0.913 -3.256 1.00 0.00 C ATOM 741 O LEU A 67 5.648 0.831 -2.911 1.00 0.00 O ATOM 742 CB LEU A 67 2.854 1.387 -1.363 1.00 0.00 C ATOM 743 CG LEU A 67 1.584 1.007 -0.530 1.00 0.00 C ATOM 744 CD1 LEU A 67 1.216 2.121 0.474 1.00 0.00 C ATOM 745 CD2 LEU A 67 0.379 0.698 -1.452 1.00 0.00 C ATOM 0 H LEU A 67 4.198 -0.654 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 67 2.516 0.033 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.664 1.608 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.642 2.307 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 67 1.826 0.105 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.330 1.826 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.046 2.280 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.011 3.045 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.487 0.438 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.148 1.576 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.627 -0.137 -2.107 1.00 0.00 H new ATOM 757 N ILE A 68 4.088 1.439 -4.424 1.00 0.00 N ATOM 758 CA ILE A 68 4.994 2.106 -5.378 1.00 0.00 C ATOM 759 C ILE A 68 4.324 3.410 -5.837 1.00 0.00 C ATOM 760 O ILE A 68 3.132 3.418 -6.179 1.00 0.00 O ATOM 761 CB ILE A 68 5.360 1.230 -6.662 1.00 0.00 C ATOM 762 CG1 ILE A 68 6.135 -0.089 -6.293 1.00 0.00 C ATOM 763 CG2 ILE A 68 6.181 2.052 -7.701 1.00 0.00 C ATOM 764 CD1 ILE A 68 5.262 -1.266 -5.880 1.00 0.00 C ATOM 0 H ILE A 68 3.120 1.415 -4.743 1.00 0.00 H new ATOM 0 HA ILE A 68 5.935 2.280 -4.856 1.00 0.00 H new ATOM 0 HB ILE A 68 4.408 0.944 -7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.737 -0.389 -7.151 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.826 0.132 -5.480 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.412 1.424 -8.561 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.597 2.913 -8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.109 2.395 -7.243 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.894 -2.123 -5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.679 -0.995 -5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.588 -1.523 -6.697 1.00 0.00 H new ATOM 776 N PHE A 69 5.100 4.493 -5.837 1.00 0.00 N ATOM 777 CA PHE A 69 4.674 5.803 -6.333 1.00 0.00 C ATOM 778 C PHE A 69 5.924 6.630 -6.648 1.00 0.00 C ATOM 779 O PHE A 69 6.943 6.489 -5.954 1.00 0.00 O ATOM 780 CB PHE A 69 3.775 6.524 -5.293 1.00 0.00 C ATOM 781 CG PHE A 69 3.008 7.733 -5.843 1.00 0.00 C ATOM 782 CD1 PHE A 69 3.567 9.013 -5.846 1.00 0.00 C ATOM 783 CD2 PHE A 69 1.712 7.585 -6.353 1.00 0.00 C ATOM 784 CE1 PHE A 69 2.864 10.092 -6.334 1.00 0.00 C ATOM 785 CE2 PHE A 69 1.010 8.673 -6.842 1.00 0.00 C ATOM 786 CZ PHE A 69 1.584 9.925 -6.833 1.00 0.00 C ATOM 0 H PHE A 69 6.058 4.486 -5.487 1.00 0.00 H new ATOM 0 HA PHE A 69 4.079 5.679 -7.238 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.058 5.807 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.397 6.853 -4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.565 9.159 -5.460 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.254 6.607 -6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.314 11.074 -6.327 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.011 8.540 -7.231 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.037 10.774 -7.214 1.00 0.00 H new ATOM 796 N ALA A 70 5.834 7.464 -7.707 1.00 0.00 N ATOM 797 CA ALA A 70 6.954 8.286 -8.223 1.00 0.00 C ATOM 798 C ALA A 70 8.083 7.408 -8.814 1.00 0.00 C ATOM 799 O ALA A 70 9.192 7.887 -9.043 1.00 0.00 O ATOM 800 CB ALA A 70 7.486 9.261 -7.140 1.00 0.00 C ATOM 0 H ALA A 70 4.970 7.588 -8.235 1.00 0.00 H new ATOM 0 HA ALA A 70 6.564 8.893 -9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.307 9.849 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.684 9.928 -6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.842 8.692 -6.281 1.00 0.00 H new ATOM 806 N GLY A 71 7.766 6.126 -9.081 1.00 0.00 N ATOM 807 CA GLY A 71 8.722 5.159 -9.630 1.00 0.00 C ATOM 808 C GLY A 71 9.507 4.407 -8.556 1.00 0.00 C ATOM 809 O GLY A 71 10.283 3.508 -8.884 1.00 0.00 O ATOM 0 H GLY A 71 6.837 5.737 -8.920 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.185 4.439 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.422 5.681 -10.283 1.00 0.00 H new ATOM 813 N LYS A 72 9.316 4.766 -7.273 1.00 0.00 N ATOM 814 CA LYS A 72 10.067 4.168 -6.144 1.00 0.00 C ATOM 815 C LYS A 72 9.091 3.498 -5.157 1.00 0.00 C ATOM 816 O LYS A 72 7.911 3.857 -5.101 1.00 0.00 O ATOM 817 CB LYS A 72 10.953 5.263 -5.460 1.00 0.00 C ATOM 818 CG LYS A 72 10.186 6.419 -4.725 1.00 0.00 C ATOM 819 CD LYS A 72 9.998 6.158 -3.199 1.00 0.00 C ATOM 820 CE LYS A 72 11.350 6.065 -2.454 1.00 0.00 C ATOM 821 NZ LYS A 72 11.214 5.482 -1.099 1.00 0.00 N ATOM 0 H LYS A 72 8.641 5.475 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 72 10.736 3.390 -6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.606 4.773 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.595 5.708 -6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.731 7.353 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.208 6.549 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.400 6.960 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.441 5.232 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.042 5.459 -3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.787 7.061 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.158 5.316 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.688 6.140 -0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.700 4.580 -1.159 1.00 0.00 H new ATOM 835 N ILE A 73 9.598 2.520 -4.392 1.00 0.00 N ATOM 836 CA ILE A 73 8.798 1.794 -3.382 1.00 0.00 C ATOM 837 C ILE A 73 8.598 2.648 -2.110 1.00 0.00 C ATOM 838 O ILE A 73 9.547 3.246 -1.591 1.00 0.00 O ATOM 839 CB ILE A 73 9.397 0.377 -2.991 1.00 0.00 C ATOM 840 CG1 ILE A 73 10.764 0.451 -2.206 1.00 0.00 C ATOM 841 CG2 ILE A 73 9.523 -0.523 -4.242 1.00 0.00 C ATOM 842 CD1 ILE A 73 11.970 0.972 -2.976 1.00 0.00 C ATOM 0 H ILE A 73 10.567 2.208 -4.451 1.00 0.00 H new ATOM 0 HA ILE A 73 7.833 1.609 -3.855 1.00 0.00 H new ATOM 0 HB ILE A 73 8.686 -0.069 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.620 1.085 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.000 -0.548 -1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 73 9.935 -1.490 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.539 -0.666 -4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.184 -0.048 -4.967 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.844 0.973 -2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.158 0.329 -3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 73 11.772 1.987 -3.319 1.00 0.00 H new ATOM 854 N LEU A 74 7.348 2.721 -1.642 1.00 0.00 N ATOM 855 CA LEU A 74 6.992 3.415 -0.409 1.00 0.00 C ATOM 856 C LEU A 74 7.192 2.464 0.779 1.00 0.00 C ATOM 857 O LEU A 74 6.451 1.482 0.932 1.00 0.00 O ATOM 858 CB LEU A 74 5.525 3.917 -0.454 1.00 0.00 C ATOM 859 CG LEU A 74 5.080 4.677 -1.742 1.00 0.00 C ATOM 860 CD1 LEU A 74 3.650 5.240 -1.582 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.081 5.794 -2.133 1.00 0.00 C ATOM 0 H LEU A 74 6.551 2.295 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 74 7.637 4.286 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.868 3.057 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.365 4.574 0.401 1.00 0.00 H new ATOM 0 HG LEU A 74 5.073 3.955 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.362 5.766 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.955 4.421 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.623 5.932 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.731 6.296 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.155 6.517 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.061 5.355 -2.319 1.00 0.00 H new ATOM 873 N LYS A 75 8.219 2.746 1.575 1.00 0.00 N ATOM 874 CA LYS A 75 8.542 2.000 2.801 1.00 0.00 C ATOM 875 C LYS A 75 7.822 2.642 3.997 1.00 0.00 C ATOM 876 O LYS A 75 7.076 3.608 3.826 1.00 0.00 O ATOM 877 CB LYS A 75 10.078 2.007 3.003 1.00 0.00 C ATOM 878 CG LYS A 75 10.866 1.435 1.801 1.00 0.00 C ATOM 879 CD LYS A 75 10.616 -0.086 1.583 1.00 0.00 C ATOM 880 CE LYS A 75 11.296 -0.959 2.660 1.00 0.00 C ATOM 881 NZ LYS A 75 12.771 -0.848 2.604 1.00 0.00 N ATOM 0 H LYS A 75 8.866 3.512 1.388 1.00 0.00 H new ATOM 0 HA LYS A 75 8.205 0.967 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.407 3.030 3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.321 1.428 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.586 1.977 0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.931 1.604 1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.543 -0.279 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.987 -0.374 0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.946 -0.658 3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.004 -2.000 2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.198 -1.611 3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.088 -0.927 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.065 0.072 2.989 1.00 0.00 H new ATOM 895 N ASP A 76 8.048 2.111 5.210 1.00 0.00 N ATOM 896 CA ASP A 76 7.464 2.681 6.447 1.00 0.00 C ATOM 897 C ASP A 76 8.078 4.064 6.775 1.00 0.00 C ATOM 898 O ASP A 76 7.450 4.875 7.465 1.00 0.00 O ATOM 899 CB ASP A 76 7.604 1.700 7.642 1.00 0.00 C ATOM 900 CG ASP A 76 9.049 1.332 7.984 1.00 0.00 C ATOM 901 OD1 ASP A 76 9.582 0.360 7.398 1.00 0.00 O ATOM 902 OD2 ASP A 76 9.665 2.006 8.835 1.00 0.00 O ATOM 0 H ASP A 76 8.630 1.288 5.366 1.00 0.00 H new ATOM 0 HA ASP A 76 6.399 2.830 6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.137 2.145 8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.052 0.788 7.415 1.00 0.00 H new ATOM 907 N GLN A 77 9.296 4.328 6.248 1.00 0.00 N ATOM 908 CA GLN A 77 9.967 5.648 6.354 1.00 0.00 C ATOM 909 C GLN A 77 9.288 6.685 5.435 1.00 0.00 C ATOM 910 O GLN A 77 9.476 7.891 5.609 1.00 0.00 O ATOM 911 CB GLN A 77 11.472 5.538 5.978 1.00 0.00 C ATOM 912 CG GLN A 77 11.742 5.101 4.518 1.00 0.00 C ATOM 913 CD GLN A 77 13.215 5.128 4.113 1.00 0.00 C ATOM 914 OE1 GLN A 77 14.111 4.943 4.937 1.00 0.00 O ATOM 915 NE2 GLN A 77 13.476 5.341 2.832 1.00 0.00 N ATOM 0 H GLN A 77 9.842 3.634 5.738 1.00 0.00 H new ATOM 0 HA GLN A 77 9.881 5.976 7.390 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.947 6.504 6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.950 4.826 6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.358 4.091 4.377 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.181 5.752 3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.711 5.491 2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.442 5.355 2.504 1.00 0.00 H new ATOM 924 N ASP A 78 8.535 6.194 4.443 1.00 0.00 N ATOM 925 CA ASP A 78 7.777 7.021 3.503 1.00 0.00 C ATOM 926 C ASP A 78 6.377 7.287 4.069 1.00 0.00 C ATOM 927 O ASP A 78 5.795 6.434 4.758 1.00 0.00 O ATOM 928 CB ASP A 78 7.657 6.307 2.126 1.00 0.00 C ATOM 929 CG ASP A 78 8.998 6.172 1.380 1.00 0.00 C ATOM 930 OD1 ASP A 78 9.831 5.318 1.747 1.00 0.00 O ATOM 931 OD2 ASP A 78 9.228 6.917 0.414 1.00 0.00 O ATOM 0 H ASP A 78 8.435 5.194 4.270 1.00 0.00 H new ATOM 0 HA ASP A 78 8.302 7.966 3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.234 5.314 2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.957 6.860 1.500 1.00 0.00 H new ATOM 936 N THR A 79 5.859 8.488 3.805 1.00 0.00 N ATOM 937 CA THR A 79 4.449 8.825 4.035 1.00 0.00 C ATOM 938 C THR A 79 3.836 9.118 2.666 1.00 0.00 C ATOM 939 O THR A 79 4.510 9.696 1.804 1.00 0.00 O ATOM 940 CB THR A 79 4.289 10.075 4.975 1.00 0.00 C ATOM 941 OG1 THR A 79 4.626 11.274 4.275 1.00 0.00 O ATOM 942 CG2 THR A 79 5.178 9.985 6.230 1.00 0.00 C ATOM 0 H THR A 79 6.407 9.259 3.424 1.00 0.00 H new ATOM 0 HA THR A 79 3.947 7.995 4.533 1.00 0.00 H new ATOM 0 HB THR A 79 3.245 10.091 5.287 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.520 12.043 4.873 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.030 10.872 6.845 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.910 9.097 6.803 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.224 9.921 5.931 1.00 0.00 H new ATOM 950 N LEU A 80 2.575 8.715 2.452 1.00 0.00 N ATOM 951 CA LEU A 80 1.892 8.940 1.162 1.00 0.00 C ATOM 952 C LEU A 80 1.745 10.457 0.858 1.00 0.00 C ATOM 953 O LEU A 80 2.009 10.898 -0.264 1.00 0.00 O ATOM 954 CB LEU A 80 0.541 8.146 1.082 1.00 0.00 C ATOM 955 CG LEU A 80 -0.383 8.117 2.351 1.00 0.00 C ATOM 956 CD1 LEU A 80 -1.081 9.458 2.629 1.00 0.00 C ATOM 957 CD2 LEU A 80 -1.414 6.984 2.242 1.00 0.00 C ATOM 0 H LEU A 80 2.007 8.234 3.149 1.00 0.00 H new ATOM 0 HA LEU A 80 2.518 8.537 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.040 8.560 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.777 7.115 0.819 1.00 0.00 H new ATOM 0 HG LEU A 80 0.272 7.930 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.703 9.367 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.331 10.232 2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.705 9.727 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.045 6.980 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.033 7.139 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.897 6.028 2.160 1.00 0.00 H new ATOM 969 N SER A 81 1.428 11.244 1.900 1.00 0.00 N ATOM 970 CA SER A 81 1.187 12.695 1.790 1.00 0.00 C ATOM 971 C SER A 81 2.450 13.459 1.318 1.00 0.00 C ATOM 972 O SER A 81 2.339 14.426 0.550 1.00 0.00 O ATOM 973 CB SER A 81 0.690 13.225 3.154 1.00 0.00 C ATOM 974 OG SER A 81 0.379 14.604 3.105 1.00 0.00 O ATOM 0 H SER A 81 1.331 10.889 2.851 1.00 0.00 H new ATOM 0 HA SER A 81 0.423 12.867 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.193 12.665 3.461 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.455 13.053 3.911 1.00 0.00 H new ATOM 0 HG SER A 81 -0.056 14.811 2.252 1.00 0.00 H new ATOM 980 N GLN A 82 3.646 12.993 1.750 1.00 0.00 N ATOM 981 CA GLN A 82 4.939 13.612 1.368 1.00 0.00 C ATOM 982 C GLN A 82 5.240 13.413 -0.135 1.00 0.00 C ATOM 983 O GLN A 82 5.942 14.220 -0.739 1.00 0.00 O ATOM 984 CB GLN A 82 6.093 13.042 2.238 1.00 0.00 C ATOM 985 CG GLN A 82 7.439 13.790 2.118 1.00 0.00 C ATOM 986 CD GLN A 82 7.380 15.279 2.522 1.00 0.00 C ATOM 987 OE1 GLN A 82 8.093 16.109 1.961 1.00 0.00 O ATOM 988 NE2 GLN A 82 6.557 15.629 3.509 1.00 0.00 N ATOM 0 H GLN A 82 3.742 12.186 2.367 1.00 0.00 H new ATOM 0 HA GLN A 82 4.862 14.684 1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.780 13.056 3.282 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.250 11.998 1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.178 13.286 2.741 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.789 13.719 1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.974 14.925 3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.510 16.602 3.813 1.00 0.00 H new ATOM 997 N HIS A 83 4.673 12.352 -0.736 1.00 0.00 N ATOM 998 CA HIS A 83 4.863 12.044 -2.181 1.00 0.00 C ATOM 999 C HIS A 83 3.787 12.704 -3.053 1.00 0.00 C ATOM 1000 O HIS A 83 3.711 12.443 -4.259 1.00 0.00 O ATOM 1001 CB HIS A 83 4.880 10.513 -2.399 1.00 0.00 C ATOM 1002 CG HIS A 83 6.058 9.862 -1.751 1.00 0.00 C ATOM 1003 ND1 HIS A 83 6.235 9.867 -0.392 1.00 0.00 N ATOM 1004 CD2 HIS A 83 7.144 9.246 -2.269 1.00 0.00 C ATOM 1005 CE1 HIS A 83 7.366 9.297 -0.098 1.00 0.00 C ATOM 1006 NE2 HIS A 83 7.941 8.906 -1.215 1.00 0.00 N ATOM 0 H HIS A 83 4.075 11.685 -0.248 1.00 0.00 H new ATOM 0 HA HIS A 83 5.823 12.459 -2.487 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.963 10.081 -1.999 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.892 10.300 -3.468 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.580 10.258 0.285 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.342 9.059 -3.314 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.766 9.166 0.896 1.00 0.00 H new ATOM 1015 N GLY A 84 2.972 13.572 -2.431 1.00 0.00 N ATOM 1016 CA GLY A 84 1.906 14.287 -3.124 1.00 0.00 C ATOM 1017 C GLY A 84 0.699 13.413 -3.388 1.00 0.00 C ATOM 1018 O GLY A 84 -0.082 13.689 -4.300 1.00 0.00 O ATOM 0 H GLY A 84 3.039 13.792 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.604 15.148 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.286 14.672 -4.070 1.00 0.00 H new ATOM 1022 N ILE A 85 0.556 12.339 -2.589 1.00 0.00 N ATOM 1023 CA ILE A 85 -0.606 11.453 -2.647 1.00 0.00 C ATOM 1024 C ILE A 85 -1.658 11.997 -1.683 1.00 0.00 C ATOM 1025 O ILE A 85 -1.607 11.744 -0.470 1.00 0.00 O ATOM 1026 CB ILE A 85 -0.250 9.969 -2.270 1.00 0.00 C ATOM 1027 CG1 ILE A 85 0.992 9.474 -3.069 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -1.468 9.036 -2.496 1.00 0.00 C ATOM 1029 CD1 ILE A 85 1.571 8.161 -2.580 1.00 0.00 C ATOM 0 H ILE A 85 1.246 12.067 -1.888 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.979 11.433 -3.671 1.00 0.00 H new ATOM 0 HB ILE A 85 0.003 9.940 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.714 9.366 -4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.767 10.239 -3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.198 8.014 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.300 9.366 -1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.763 9.071 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.432 7.892 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.884 8.266 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.815 7.380 -2.654 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.543 12.830 -2.224 1.00 0.00 N ATOM 1042 CA HIS A 86 -3.659 13.422 -1.482 1.00 0.00 C ATOM 1043 C HIS A 86 -4.985 12.970 -2.111 1.00 0.00 C ATOM 1044 O HIS A 86 -5.020 11.944 -2.799 1.00 0.00 O ATOM 1045 CB HIS A 86 -3.503 14.970 -1.423 1.00 0.00 C ATOM 1046 CG HIS A 86 -2.334 15.426 -0.577 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -1.138 15.864 -1.113 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -2.177 15.490 0.770 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -0.310 16.172 -0.138 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -0.912 15.953 1.011 1.00 0.00 N ATOM 0 H HIS A 86 -2.507 13.118 -3.202 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.657 13.074 -0.449 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.380 15.354 -2.436 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.420 15.405 -1.026 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -0.930 15.937 -2.109 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.914 15.225 1.514 1.00 0.00 H new ATOM 0 HE1 HIS A 86 0.697 16.543 -0.261 1.00 0.00 H new ATOM 1059 N ASP A 87 -6.068 13.702 -1.812 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.427 13.374 -2.267 1.00 0.00 C ATOM 1061 C ASP A 87 -7.505 13.333 -3.808 1.00 0.00 C ATOM 1062 O ASP A 87 -7.220 14.329 -4.475 1.00 0.00 O ATOM 1063 CB ASP A 87 -8.420 14.408 -1.683 1.00 0.00 C ATOM 1064 CG ASP A 87 -9.885 14.129 -2.045 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -10.484 13.213 -1.452 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -10.452 14.834 -2.911 1.00 0.00 O ATOM 0 H ASP A 87 -6.025 14.547 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.694 12.380 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.320 14.422 -0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.149 15.401 -2.041 1.00 0.00 H new ATOM 1071 N GLY A 88 -7.846 12.154 -4.350 1.00 0.00 N ATOM 1072 CA GLY A 88 -7.977 11.960 -5.800 1.00 0.00 C ATOM 1073 C GLY A 88 -6.770 11.293 -6.440 1.00 0.00 C ATOM 1074 O GLY A 88 -6.834 10.889 -7.602 1.00 0.00 O ATOM 0 H GLY A 88 -8.037 11.316 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.862 11.356 -5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.139 12.928 -6.274 1.00 0.00 H new ATOM 1078 N LEU A 89 -5.662 11.182 -5.687 1.00 0.00 N ATOM 1079 CA LEU A 89 -4.427 10.514 -6.156 1.00 0.00 C ATOM 1080 C LEU A 89 -4.527 8.998 -5.917 1.00 0.00 C ATOM 1081 O LEU A 89 -5.337 8.529 -5.100 1.00 0.00 O ATOM 1082 CB LEU A 89 -3.165 11.104 -5.454 1.00 0.00 C ATOM 1083 CG LEU A 89 -2.675 12.515 -5.933 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -2.311 12.508 -7.433 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -3.689 13.634 -5.603 1.00 0.00 C ATOM 0 H LEU A 89 -5.593 11.550 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.322 10.695 -7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.369 11.162 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.344 10.399 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.768 12.738 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.976 13.502 -7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.513 11.787 -7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.187 12.230 -8.019 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.303 14.590 -5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.638 13.422 -6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.843 13.679 -4.525 1.00 0.00 H new ATOM 1097 N THR A 90 -3.678 8.241 -6.640 1.00 0.00 N ATOM 1098 CA THR A 90 -3.709 6.772 -6.655 1.00 0.00 C ATOM 1099 C THR A 90 -2.293 6.198 -6.478 1.00 0.00 C ATOM 1100 O THR A 90 -1.365 6.577 -7.204 1.00 0.00 O ATOM 1101 CB THR A 90 -4.325 6.252 -7.997 1.00 0.00 C ATOM 1102 OG1 THR A 90 -5.596 6.887 -8.222 1.00 0.00 O ATOM 1103 CG2 THR A 90 -4.523 4.724 -8.001 1.00 0.00 C ATOM 0 H THR A 90 -2.949 8.638 -7.232 1.00 0.00 H new ATOM 0 HA THR A 90 -4.331 6.438 -5.825 1.00 0.00 H new ATOM 0 HB THR A 90 -3.621 6.500 -8.791 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.980 6.562 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.953 4.415 -8.954 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.561 4.232 -7.861 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.196 4.442 -7.191 1.00 0.00 H new ATOM 1111 N VAL A 91 -2.146 5.267 -5.516 1.00 0.00 N ATOM 1112 CA VAL A 91 -0.888 4.546 -5.266 1.00 0.00 C ATOM 1113 C VAL A 91 -0.916 3.218 -6.033 1.00 0.00 C ATOM 1114 O VAL A 91 -1.961 2.566 -6.104 1.00 0.00 O ATOM 1115 CB VAL A 91 -0.670 4.229 -3.731 1.00 0.00 C ATOM 1116 CG1 VAL A 91 0.796 3.837 -3.442 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -1.121 5.396 -2.835 1.00 0.00 C ATOM 0 H VAL A 91 -2.902 4.994 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.071 5.186 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.299 3.373 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.913 3.625 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.056 2.950 -4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.455 4.659 -3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.954 5.137 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.547 6.289 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.181 5.590 -2.996 1.00 0.00 H new ATOM 1127 N HIS A 92 0.230 2.818 -6.593 1.00 0.00 N ATOM 1128 CA HIS A 92 0.351 1.544 -7.318 1.00 0.00 C ATOM 1129 C HIS A 92 0.827 0.459 -6.338 1.00 0.00 C ATOM 1130 O HIS A 92 1.987 0.445 -5.941 1.00 0.00 O ATOM 1131 CB HIS A 92 1.348 1.687 -8.498 1.00 0.00 C ATOM 1132 CG HIS A 92 0.947 2.705 -9.539 1.00 0.00 C ATOM 1133 ND1 HIS A 92 0.657 2.380 -10.846 1.00 0.00 N ATOM 1134 CD2 HIS A 92 0.815 4.053 -9.460 1.00 0.00 C ATOM 1135 CE1 HIS A 92 0.372 3.476 -11.516 1.00 0.00 C ATOM 1136 NE2 HIS A 92 0.460 4.503 -10.701 1.00 0.00 N ATOM 0 H HIS A 92 1.093 3.360 -6.559 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.618 1.262 -7.730 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.325 1.959 -8.100 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.460 0.717 -8.982 1.00 0.00 H new ATOM 0 HD2 HIS A 92 0.963 4.659 -8.579 1.00 0.00 H new ATOM 0 HE1 HIS A 92 0.109 3.524 -12.562 1.00 0.00 H new ATOM 0 HE2 HIS A 92 0.291 5.477 -10.953 1.00 0.00 H new ATOM 1145 N LEU A 93 -0.078 -0.444 -5.960 1.00 0.00 N ATOM 1146 CA LEU A 93 0.220 -1.541 -5.024 1.00 0.00 C ATOM 1147 C LEU A 93 0.464 -2.842 -5.787 1.00 0.00 C ATOM 1148 O LEU A 93 -0.209 -3.140 -6.783 1.00 0.00 O ATOM 1149 CB LEU A 93 -0.946 -1.729 -4.021 1.00 0.00 C ATOM 1150 CG LEU A 93 -0.848 -2.943 -3.024 1.00 0.00 C ATOM 1151 CD1 LEU A 93 0.437 -2.913 -2.170 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -2.073 -3.000 -2.116 1.00 0.00 C ATOM 0 H LEU A 93 -1.042 -0.440 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 93 1.123 -1.282 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.037 -0.816 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.869 -1.834 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.809 -3.842 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.450 -3.774 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.309 -2.948 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.461 -1.996 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.983 -3.847 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.142 -2.077 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.971 -3.116 -2.723 1.00 0.00 H new ATOM 1164 N VAL A 94 1.439 -3.608 -5.293 1.00 0.00 N ATOM 1165 CA VAL A 94 1.745 -4.950 -5.773 1.00 0.00 C ATOM 1166 C VAL A 94 1.632 -5.924 -4.591 1.00 0.00 C ATOM 1167 O VAL A 94 2.411 -5.844 -3.628 1.00 0.00 O ATOM 1168 CB VAL A 94 3.185 -5.014 -6.405 1.00 0.00 C ATOM 1169 CG1 VAL A 94 3.563 -6.446 -6.843 1.00 0.00 C ATOM 1170 CG2 VAL A 94 3.312 -4.029 -7.588 1.00 0.00 C ATOM 0 H VAL A 94 2.048 -3.303 -4.533 1.00 0.00 H new ATOM 0 HA VAL A 94 1.037 -5.225 -6.555 1.00 0.00 H new ATOM 0 HB VAL A 94 3.890 -4.716 -5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.564 -6.442 -7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.542 -7.109 -5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.849 -6.799 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.316 -4.092 -8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.581 -4.285 -8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.128 -3.013 -7.237 1.00 0.00 H new ATOM 1180 N ILE A 95 0.622 -6.802 -4.656 1.00 0.00 N ATOM 1181 CA ILE A 95 0.355 -7.804 -3.619 1.00 0.00 C ATOM 1182 C ILE A 95 1.000 -9.129 -4.036 1.00 0.00 C ATOM 1183 O ILE A 95 0.906 -9.525 -5.207 1.00 0.00 O ATOM 1184 CB ILE A 95 -1.193 -7.975 -3.390 1.00 0.00 C ATOM 1185 CG1 ILE A 95 -1.843 -6.580 -3.092 1.00 0.00 C ATOM 1186 CG2 ILE A 95 -1.483 -8.988 -2.257 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -3.294 -6.603 -2.646 1.00 0.00 C ATOM 0 H ILE A 95 -0.036 -6.836 -5.435 1.00 0.00 H new ATOM 0 HA ILE A 95 0.786 -7.475 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.639 -8.377 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.254 -6.085 -2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.770 -5.968 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.560 -9.085 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.062 -9.958 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.032 -8.636 -1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.636 -5.583 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -3.906 -7.062 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.383 -7.180 -1.726 1.00 0.00 H new ATOM 1199 N LYS A 96 1.666 -9.802 -3.078 1.00 0.00 N ATOM 1200 CA LYS A 96 2.428 -11.043 -3.330 1.00 0.00 C ATOM 1201 C LYS A 96 1.922 -12.172 -2.407 1.00 0.00 C ATOM 1202 O LYS A 96 2.711 -12.929 -1.827 1.00 0.00 O ATOM 1203 CB LYS A 96 3.948 -10.753 -3.137 1.00 0.00 C ATOM 1204 CG LYS A 96 4.497 -9.669 -4.100 1.00 0.00 C ATOM 1205 CD LYS A 96 6.020 -9.446 -3.970 1.00 0.00 C ATOM 1206 CE LYS A 96 6.543 -8.391 -4.966 1.00 0.00 C ATOM 1207 NZ LYS A 96 6.275 -8.769 -6.386 1.00 0.00 N ATOM 0 H LYS A 96 1.691 -9.500 -2.104 1.00 0.00 H new ATOM 0 HA LYS A 96 2.277 -11.381 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.122 -10.436 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.508 -11.677 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.266 -9.955 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.982 -8.728 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.253 -9.130 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.539 -10.390 -4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.074 -7.430 -4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.616 -8.261 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.801 -8.134 -7.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.580 -9.750 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.257 -8.687 -6.581 1.00 0.00 H new