USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 803 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 41 LYS NZ :NH3+ 171:sc= 1.55 (180deg=0.946) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0.446 USER MOD Set 2.1: A 20 SER OG : rot 67:sc= 0.304 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.284 USER MOD Set 3.1: A 8 GLN : amide:sc= -0.635 K(o=-0.63,f=-1.1) USER MOD Set 3.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -168:sc=-0.00182 (180deg=-0.201) USER MOD Single : A 2 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 13 HIS : no HD1:sc= -0.226 K(o=-0.23,f=-1.3) USER MOD Single : A 17 ASN : amide:sc= 0.532 K(o=0.53,f=-4.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.477 X(o=-0.48,f=-0.73) USER MOD Single : A 24 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.29) USER MOD Single : A 31 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.56) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.67 X(o=-0.67,f=-0.19) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.312 K(o=0.31,f=-1.1) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -106:sc= 0.0745 USER MOD Single : A 57 SER OG : rot -48:sc= 0.486 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.246 USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.691 USER MOD Single : A 67 TYR OH : rot 165:sc= 0 USER MOD Single : A 68 THR OG1 : rot 82:sc= 0.67 USER MOD Single : A 73 THR OG1 : rot -49:sc= 1.21 USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.17) USER MOD Single : A 83 ASN : amide:sc= 1.13 K(o=1.1,f=-0.35) USER MOD Single : A 84 HIS : no HD1:sc= -2.17! C(o=-2.2!,f=-9.6!) USER MOD Single : A 86 THR OG1 : rot -33:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 91 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0626) USER MOD Single : A 94 LYS NZ :NH3+ 160:sc= -0.0942 (180deg=-0.71) USER MOD Single : A 99 MET CE :methyl 180:sc= -0.0399 (180deg=-0.0399) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -1.523 -23.026 1.150 1.00 0.00 N ATOM 2 CA MET A 0 -1.285 -23.654 -0.163 1.00 0.00 C ATOM 3 C MET A 0 -1.805 -22.756 -1.285 1.00 0.00 C ATOM 4 O MET A 0 -1.028 -22.274 -2.109 1.00 0.00 O ATOM 5 CB MET A 0 -1.899 -25.061 -0.239 1.00 0.00 C ATOM 6 CG MET A 0 -1.312 -26.000 0.823 1.00 0.00 C ATOM 7 SD MET A 0 -1.841 -27.731 0.699 1.00 0.00 S ATOM 8 CE MET A 0 -0.695 -28.326 -0.571 1.00 0.00 C ATOM 0 H1 MET A 0 -0.992 -23.539 1.882 1.00 0.00 H new ATOM 0 H2 MET A 0 -1.207 -22.036 1.123 1.00 0.00 H new ATOM 0 H3 MET A 0 -2.538 -23.060 1.372 1.00 0.00 H new ATOM 0 HA MET A 0 -0.209 -23.771 -0.290 1.00 0.00 H new ATOM 0 HB2 MET A 0 -2.979 -24.993 -0.107 1.00 0.00 H new ATOM 0 HB3 MET A 0 -1.725 -25.480 -1.230 1.00 0.00 H new ATOM 0 HG2 MET A 0 -0.225 -25.963 0.757 1.00 0.00 H new ATOM 0 HG3 MET A 0 -1.584 -25.623 1.809 1.00 0.00 H new ATOM 0 HE1 MET A 0 -0.886 -29.381 -0.768 1.00 0.00 H new ATOM 0 HE2 MET A 0 -0.839 -27.754 -1.488 1.00 0.00 H new ATOM 0 HE3 MET A 0 0.330 -28.202 -0.223 1.00 0.00 H new ATOM 20 N ILE A 1 -3.119 -22.496 -1.276 1.00 0.00 N ATOM 21 CA ILE A 1 -3.760 -21.528 -2.155 1.00 0.00 C ATOM 22 C ILE A 1 -3.238 -20.117 -1.888 1.00 0.00 C ATOM 23 O ILE A 1 -2.602 -19.858 -0.869 1.00 0.00 O ATOM 24 CB ILE A 1 -5.296 -21.582 -2.044 1.00 0.00 C ATOM 25 CG1 ILE A 1 -5.867 -20.937 -0.767 1.00 0.00 C ATOM 26 CG2 ILE A 1 -5.828 -23.007 -2.253 1.00 0.00 C ATOM 27 CD1 ILE A 1 -5.335 -21.522 0.543 1.00 0.00 C ATOM 0 H ILE A 1 -3.771 -22.963 -0.645 1.00 0.00 H new ATOM 0 HA ILE A 1 -3.501 -21.797 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 1 -5.663 -20.959 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -5.647 -19.870 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -6.952 -21.039 -0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -6.915 -23.006 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -5.542 -23.360 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.405 -23.668 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -5.794 -21.005 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -5.578 -22.583 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -4.253 -21.395 0.585 1.00 0.00 H new ATOM 39 N GLN A 2 -3.531 -19.204 -2.814 1.00 0.00 N ATOM 40 CA GLN A 2 -3.075 -17.829 -2.780 1.00 0.00 C ATOM 41 C GLN A 2 -3.800 -17.086 -1.658 1.00 0.00 C ATOM 42 O GLN A 2 -4.973 -16.742 -1.796 1.00 0.00 O ATOM 43 CB GLN A 2 -3.342 -17.191 -4.146 1.00 0.00 C ATOM 44 CG GLN A 2 -2.402 -17.726 -5.236 1.00 0.00 C ATOM 45 CD GLN A 2 -2.656 -19.190 -5.592 1.00 0.00 C ATOM 46 OE1 GLN A 2 -3.753 -19.546 -6.014 1.00 0.00 O ATOM 47 NE2 GLN A 2 -1.651 -20.049 -5.402 1.00 0.00 N ATOM 0 H GLN A 2 -4.109 -19.414 -3.628 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.005 -17.778 -2.578 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.375 -17.380 -4.436 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.225 -16.110 -4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.514 -17.117 -6.133 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.370 -17.615 -4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.754 -19.715 -5.050 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.780 -21.039 -5.609 1.00 0.00 H new ATOM 56 N ARG A 3 -3.106 -16.874 -0.534 1.00 0.00 N ATOM 57 CA ARG A 3 -3.699 -16.324 0.675 1.00 0.00 C ATOM 58 C ARG A 3 -4.009 -14.830 0.515 1.00 0.00 C ATOM 59 O ARG A 3 -3.363 -14.128 -0.262 1.00 0.00 O ATOM 60 CB ARG A 3 -2.786 -16.629 1.867 1.00 0.00 C ATOM 61 CG ARG A 3 -3.421 -16.248 3.211 1.00 0.00 C ATOM 62 CD ARG A 3 -2.600 -16.787 4.387 1.00 0.00 C ATOM 63 NE ARG A 3 -3.288 -16.523 5.659 1.00 0.00 N ATOM 64 CZ ARG A 3 -2.948 -17.046 6.848 1.00 0.00 C ATOM 65 NH1 ARG A 3 -1.863 -17.824 6.971 1.00 0.00 N ATOM 66 NH2 ARG A 3 -3.707 -16.788 7.923 1.00 0.00 N ATOM 0 H ARG A 3 -2.112 -17.083 -0.444 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.661 -16.800 0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.545 -17.692 1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.847 -16.089 1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.498 -15.163 3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.436 -16.643 3.261 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.443 -17.859 4.267 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.615 -16.319 4.395 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.089 -15.891 5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.284 -18.025 6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.616 -18.215 7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.535 -16.199 7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.457 -17.181 8.830 1.00 0.00 H new ATOM 80 N THR A 4 -5.029 -14.367 1.244 1.00 0.00 N ATOM 81 CA THR A 4 -5.551 -13.009 1.200 1.00 0.00 C ATOM 82 C THR A 4 -4.463 -11.986 1.577 1.00 0.00 C ATOM 83 O THR A 4 -3.758 -12.198 2.563 1.00 0.00 O ATOM 84 CB THR A 4 -6.730 -12.938 2.185 1.00 0.00 C ATOM 85 OG1 THR A 4 -7.606 -14.027 1.968 1.00 0.00 O ATOM 86 CG2 THR A 4 -7.522 -11.632 2.073 1.00 0.00 C ATOM 0 H THR A 4 -5.531 -14.958 1.907 1.00 0.00 H new ATOM 0 HA THR A 4 -5.880 -12.763 0.190 1.00 0.00 H new ATOM 0 HB THR A 4 -6.303 -12.980 3.187 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.353 -13.976 2.600 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.341 -11.640 2.792 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.864 -10.788 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.926 -11.537 1.065 1.00 0.00 H new ATOM 94 N PRO A 5 -4.321 -10.877 0.828 1.00 0.00 N ATOM 95 CA PRO A 5 -3.375 -9.813 1.133 1.00 0.00 C ATOM 96 C PRO A 5 -3.823 -9.012 2.360 1.00 0.00 C ATOM 97 O PRO A 5 -4.800 -8.268 2.298 1.00 0.00 O ATOM 98 CB PRO A 5 -3.302 -8.955 -0.135 1.00 0.00 C ATOM 99 CG PRO A 5 -4.658 -9.165 -0.803 1.00 0.00 C ATOM 100 CD PRO A 5 -5.027 -10.595 -0.412 1.00 0.00 C ATOM 0 HA PRO A 5 -2.390 -10.200 1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.133 -7.905 0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.485 -9.270 -0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.397 -8.447 -0.447 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.596 -9.048 -1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.104 -10.695 -0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.737 -11.298 -1.193 1.00 0.00 H new ATOM 108 N LYS A 6 -3.086 -9.160 3.468 1.00 0.00 N ATOM 109 CA LYS A 6 -3.299 -8.425 4.702 1.00 0.00 C ATOM 110 C LYS A 6 -2.647 -7.048 4.579 1.00 0.00 C ATOM 111 O LYS A 6 -1.427 -6.932 4.679 1.00 0.00 O ATOM 112 CB LYS A 6 -2.703 -9.206 5.880 1.00 0.00 C ATOM 113 CG LYS A 6 -3.183 -8.589 7.199 1.00 0.00 C ATOM 114 CD LYS A 6 -2.288 -8.968 8.383 1.00 0.00 C ATOM 115 CE LYS A 6 -2.200 -10.485 8.576 1.00 0.00 C ATOM 116 NZ LYS A 6 -1.433 -10.824 9.787 1.00 0.00 N ATOM 0 H LYS A 6 -2.306 -9.815 3.523 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.366 -8.298 4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.003 -10.252 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.614 -9.184 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.210 -7.504 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.203 -8.916 7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.288 -8.564 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.677 -8.509 9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.204 -10.904 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.728 -10.938 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.390 -11.858 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.469 -10.444 9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.899 -10.410 10.620 1.00 0.00 H new ATOM 130 N ILE A 7 -3.472 -6.018 4.373 1.00 0.00 N ATOM 131 CA ILE A 7 -3.057 -4.626 4.258 1.00 0.00 C ATOM 132 C ILE A 7 -2.890 -3.992 5.640 1.00 0.00 C ATOM 133 O ILE A 7 -3.658 -4.296 6.552 1.00 0.00 O ATOM 134 CB ILE A 7 -4.092 -3.843 3.426 1.00 0.00 C ATOM 135 CG1 ILE A 7 -5.499 -3.782 4.060 1.00 0.00 C ATOM 136 CG2 ILE A 7 -4.206 -4.456 2.027 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.751 -2.474 4.820 1.00 0.00 C ATOM 0 H ILE A 7 -4.480 -6.139 4.279 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.092 -4.588 3.753 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.722 -2.819 3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.250 -3.893 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.622 -4.623 4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.939 -3.898 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.237 -4.411 1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.523 -5.495 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.755 -2.487 5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.020 -2.372 5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.658 -1.631 4.135 1.00 0.00 H new ATOM 149 N GLN A 8 -1.926 -3.074 5.787 1.00 0.00 N ATOM 150 CA GLN A 8 -1.857 -2.140 6.880 1.00 0.00 C ATOM 151 C GLN A 8 -1.308 -0.828 6.312 1.00 0.00 C ATOM 152 O GLN A 8 -0.100 -0.678 6.136 1.00 0.00 O ATOM 153 CB GLN A 8 -1.022 -2.725 8.025 1.00 0.00 C ATOM 154 CG GLN A 8 0.198 -3.579 7.647 1.00 0.00 C ATOM 155 CD GLN A 8 -0.134 -4.996 7.174 1.00 0.00 C ATOM 156 OE1 GLN A 8 -1.021 -5.654 7.715 1.00 0.00 O ATOM 157 NE2 GLN A 8 0.578 -5.474 6.151 1.00 0.00 N ATOM 0 H GLN A 8 -1.159 -2.971 5.122 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.835 -1.941 7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.675 -1.898 8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.680 -3.334 8.645 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.752 -3.068 6.859 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.860 -3.645 8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.307 -4.901 5.725 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.393 -6.412 5.795 1.00 0.00 H new ATOM 166 N VAL A 9 -2.216 0.105 5.988 1.00 0.00 N ATOM 167 CA VAL A 9 -1.892 1.390 5.385 1.00 0.00 C ATOM 168 C VAL A 9 -1.730 2.434 6.486 1.00 0.00 C ATOM 169 O VAL A 9 -2.719 3.016 6.932 1.00 0.00 O ATOM 170 CB VAL A 9 -2.965 1.799 4.359 1.00 0.00 C ATOM 171 CG1 VAL A 9 -2.556 3.111 3.677 1.00 0.00 C ATOM 172 CG2 VAL A 9 -3.161 0.706 3.298 1.00 0.00 C ATOM 0 H VAL A 9 -3.216 -0.024 6.145 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.950 1.312 4.841 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.908 1.937 4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.318 3.397 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.457 3.895 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.603 2.974 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.924 1.022 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.222 0.538 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.476 -0.218 3.782 1.00 0.00 H new ATOM 182 N TYR A 10 -0.485 2.658 6.923 1.00 0.00 N ATOM 183 CA TYR A 10 -0.175 3.552 8.033 1.00 0.00 C ATOM 184 C TYR A 10 0.598 4.785 7.570 1.00 0.00 C ATOM 185 O TYR A 10 1.310 4.754 6.566 1.00 0.00 O ATOM 186 CB TYR A 10 0.579 2.799 9.136 1.00 0.00 C ATOM 187 CG TYR A 10 1.889 2.159 8.719 1.00 0.00 C ATOM 188 CD1 TYR A 10 3.098 2.873 8.823 1.00 0.00 C ATOM 189 CD2 TYR A 10 1.906 0.812 8.318 1.00 0.00 C ATOM 190 CE1 TYR A 10 4.314 2.252 8.484 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.120 0.190 7.987 1.00 0.00 C ATOM 192 CZ TYR A 10 4.321 0.914 8.052 1.00 0.00 C ATOM 193 OH TYR A 10 5.491 0.314 7.695 1.00 0.00 O ATOM 0 H TYR A 10 0.338 2.219 6.510 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.118 3.908 8.447 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.779 3.493 9.953 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.074 2.021 9.531 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.092 3.898 9.163 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.983 0.254 8.264 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.241 2.802 8.555 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.130 -0.846 7.682 1.00 0.00 H new ATOM 0 HH TYR A 10 5.315 -0.611 7.423 1.00 0.00 H new ATOM 203 N SER A 11 0.462 5.859 8.355 1.00 0.00 N ATOM 204 CA SER A 11 1.261 7.069 8.276 1.00 0.00 C ATOM 205 C SER A 11 2.266 7.064 9.424 1.00 0.00 C ATOM 206 O SER A 11 1.900 6.753 10.557 1.00 0.00 O ATOM 207 CB SER A 11 0.362 8.301 8.372 1.00 0.00 C ATOM 208 OG SER A 11 -0.678 8.117 9.310 1.00 0.00 O ATOM 0 H SER A 11 -0.241 5.902 9.093 1.00 0.00 H new ATOM 0 HA SER A 11 1.787 7.102 7.322 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.960 9.167 8.657 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.065 8.517 7.393 1.00 0.00 H new ATOM 0 HG SER A 11 -1.230 8.926 9.350 1.00 0.00 H new ATOM 214 N ARG A 12 3.522 7.426 9.140 1.00 0.00 N ATOM 215 CA ARG A 12 4.555 7.543 10.160 1.00 0.00 C ATOM 216 C ARG A 12 4.444 8.900 10.856 1.00 0.00 C ATOM 217 O ARG A 12 4.289 8.963 12.074 1.00 0.00 O ATOM 218 CB ARG A 12 5.940 7.332 9.534 1.00 0.00 C ATOM 219 CG ARG A 12 6.071 5.882 9.050 1.00 0.00 C ATOM 220 CD ARG A 12 7.464 5.573 8.496 1.00 0.00 C ATOM 221 NE ARG A 12 8.473 5.569 9.565 1.00 0.00 N ATOM 222 CZ ARG A 12 9.731 5.112 9.442 1.00 0.00 C ATOM 223 NH1 ARG A 12 10.181 4.640 8.271 1.00 0.00 N ATOM 224 NH2 ARG A 12 10.546 5.126 10.506 1.00 0.00 N ATOM 0 H ARG A 12 3.845 7.644 8.197 1.00 0.00 H new ATOM 0 HA ARG A 12 4.415 6.769 10.915 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.081 8.019 8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.718 7.554 10.265 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.854 5.205 9.877 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.326 5.691 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.453 4.603 7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.731 6.314 7.743 1.00 0.00 H new ATOM 0 HE ARG A 12 8.196 5.943 10.473 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.566 4.624 7.457 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.138 4.297 8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.210 5.482 11.401 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.502 4.781 10.421 1.00 0.00 H new ATOM 238 N HIS A 13 4.530 9.983 10.077 1.00 0.00 N ATOM 239 CA HIS A 13 4.507 11.349 10.580 1.00 0.00 C ATOM 240 C HIS A 13 3.081 11.766 10.952 1.00 0.00 C ATOM 241 O HIS A 13 2.124 11.217 10.403 1.00 0.00 O ATOM 242 CB HIS A 13 5.011 12.293 9.489 1.00 0.00 C ATOM 243 CG HIS A 13 6.418 12.041 9.018 1.00 0.00 C ATOM 244 ND1 HIS A 13 6.764 10.880 8.325 1.00 0.00 N ATOM 245 CD2 HIS A 13 7.516 12.853 9.106 1.00 0.00 C ATOM 246 CE1 HIS A 13 8.064 11.029 8.050 1.00 0.00 C ATOM 247 NE2 HIS A 13 8.560 12.194 8.491 1.00 0.00 N ATOM 0 H HIS A 13 4.619 9.928 9.062 1.00 0.00 H new ATOM 0 HA HIS A 13 5.141 11.401 11.465 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.341 12.222 8.632 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.947 13.316 9.859 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.557 13.827 9.570 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.652 10.289 7.528 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.519 12.527 8.391 1.00 0.00 H new ATOM 255 N PRO A 14 2.921 12.773 11.826 1.00 0.00 N ATOM 256 CA PRO A 14 1.632 13.380 12.096 1.00 0.00 C ATOM 257 C PRO A 14 1.255 14.270 10.911 1.00 0.00 C ATOM 258 O PRO A 14 2.021 15.160 10.540 1.00 0.00 O ATOM 259 CB PRO A 14 1.818 14.175 13.388 1.00 0.00 C ATOM 260 CG PRO A 14 3.296 14.567 13.365 1.00 0.00 C ATOM 261 CD PRO A 14 3.972 13.433 12.589 1.00 0.00 C ATOM 0 HA PRO A 14 0.825 12.658 12.218 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.172 15.052 13.414 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.577 13.575 14.265 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.445 15.529 12.875 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.700 14.656 14.373 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.746 13.823 11.928 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.457 12.732 13.269 1.00 0.00 H new ATOM 269 N ALA A 15 0.095 14.012 10.291 1.00 0.00 N ATOM 270 CA ALA A 15 -0.307 14.723 9.086 1.00 0.00 C ATOM 271 C ALA A 15 -0.546 16.205 9.371 1.00 0.00 C ATOM 272 O ALA A 15 -1.098 16.566 10.410 1.00 0.00 O ATOM 273 CB ALA A 15 -1.536 14.081 8.445 1.00 0.00 C ATOM 0 H ALA A 15 -0.577 13.314 10.610 1.00 0.00 H new ATOM 0 HA ALA A 15 0.514 14.650 8.373 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.810 14.636 7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.310 13.049 8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.366 14.100 9.151 1.00 0.00 H new ATOM 279 N GLU A 16 -0.116 17.045 8.425 1.00 0.00 N ATOM 280 CA GLU A 16 -0.159 18.496 8.499 1.00 0.00 C ATOM 281 C GLU A 16 -0.176 19.048 7.070 1.00 0.00 C ATOM 282 O GLU A 16 0.450 18.477 6.176 1.00 0.00 O ATOM 283 CB GLU A 16 1.046 19.002 9.306 1.00 0.00 C ATOM 284 CG GLU A 16 1.065 20.530 9.423 1.00 0.00 C ATOM 285 CD GLU A 16 2.254 21.003 10.253 1.00 0.00 C ATOM 286 OE1 GLU A 16 2.174 20.865 11.493 1.00 0.00 O ATOM 287 OE2 GLU A 16 3.225 21.490 9.633 1.00 0.00 O ATOM 0 H GLU A 16 0.288 16.710 7.550 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.057 18.841 9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.023 18.563 10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.967 18.664 8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.113 20.973 8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.138 20.874 9.881 1.00 0.00 H new ATOM 294 N ASN A 17 -0.923 20.140 6.862 1.00 0.00 N ATOM 295 CA ASN A 17 -1.194 20.713 5.551 1.00 0.00 C ATOM 296 C ASN A 17 0.089 21.217 4.885 1.00 0.00 C ATOM 297 O ASN A 17 0.668 22.208 5.326 1.00 0.00 O ATOM 298 CB ASN A 17 -2.234 21.833 5.696 1.00 0.00 C ATOM 299 CG ASN A 17 -2.687 22.413 4.355 1.00 0.00 C ATOM 300 OD1 ASN A 17 -2.281 21.954 3.290 1.00 0.00 O ATOM 301 ND2 ASN A 17 -3.549 23.430 4.402 1.00 0.00 N ATOM 0 H ASN A 17 -1.363 20.657 7.623 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.598 19.938 4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.103 21.446 6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.815 22.632 6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.890 23.850 3.537 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.867 23.788 5.303 1.00 0.00 H new ATOM 308 N GLY A 18 0.509 20.548 3.804 1.00 0.00 N ATOM 309 CA GLY A 18 1.643 20.966 2.994 1.00 0.00 C ATOM 310 C GLY A 18 2.967 20.760 3.729 1.00 0.00 C ATOM 311 O GLY A 18 3.818 21.647 3.731 1.00 0.00 O ATOM 0 H GLY A 18 0.062 19.694 3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.652 20.402 2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.533 22.018 2.729 1.00 0.00 H new ATOM 315 N LYS A 19 3.132 19.585 4.347 1.00 0.00 N ATOM 316 CA LYS A 19 4.288 19.229 5.156 1.00 0.00 C ATOM 317 C LYS A 19 4.561 17.744 5.001 1.00 0.00 C ATOM 318 O LYS A 19 3.870 16.898 5.559 1.00 0.00 O ATOM 319 CB LYS A 19 3.997 19.573 6.602 1.00 0.00 C ATOM 320 CG LYS A 19 5.101 19.286 7.632 1.00 0.00 C ATOM 321 CD LYS A 19 6.412 20.054 7.414 1.00 0.00 C ATOM 322 CE LYS A 19 7.479 19.203 6.710 1.00 0.00 C ATOM 323 NZ LYS A 19 8.770 19.912 6.638 1.00 0.00 N ATOM 0 H LYS A 19 2.440 18.838 4.292 1.00 0.00 H new ATOM 0 HA LYS A 19 5.169 19.782 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.755 20.635 6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.103 19.028 6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.720 19.523 8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.318 18.218 7.621 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.213 20.946 6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.797 20.391 8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.608 18.262 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.142 18.954 5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.470 19.311 6.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.650 20.798 6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.102 20.128 7.600 1.00 0.00 H new ATOM 337 N SER A 20 5.569 17.478 4.183 1.00 0.00 N ATOM 338 CA SER A 20 5.873 16.155 3.663 1.00 0.00 C ATOM 339 C SER A 20 6.075 15.137 4.792 1.00 0.00 C ATOM 340 O SER A 20 6.771 15.407 5.771 1.00 0.00 O ATOM 341 CB SER A 20 7.105 16.205 2.758 1.00 0.00 C ATOM 342 OG SER A 20 7.088 15.109 1.867 1.00 0.00 O ATOM 0 H SER A 20 6.214 18.196 3.855 1.00 0.00 H new ATOM 0 HA SER A 20 5.017 15.827 3.073 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.119 17.140 2.198 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.012 16.181 3.362 1.00 0.00 H new ATOM 0 HG SER A 20 6.342 15.209 1.240 1.00 0.00 H new ATOM 348 N ASN A 21 5.434 13.980 4.636 1.00 0.00 N ATOM 349 CA ASN A 21 5.277 12.926 5.625 1.00 0.00 C ATOM 350 C ASN A 21 5.850 11.628 5.039 1.00 0.00 C ATOM 351 O ASN A 21 6.833 11.677 4.301 1.00 0.00 O ATOM 352 CB ASN A 21 3.776 12.843 5.970 1.00 0.00 C ATOM 353 CG ASN A 21 3.289 14.105 6.679 1.00 0.00 C ATOM 354 OD1 ASN A 21 3.945 14.614 7.584 1.00 0.00 O ATOM 355 ND2 ASN A 21 2.134 14.622 6.263 1.00 0.00 N ATOM 0 H ASN A 21 4.981 13.742 3.753 1.00 0.00 H new ATOM 0 HA ASN A 21 5.820 13.118 6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.200 12.694 5.057 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.596 11.976 6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.767 15.468 6.699 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.616 14.172 5.508 1.00 0.00 H new ATOM 362 N PHE A 22 5.242 10.470 5.333 1.00 0.00 N ATOM 363 CA PHE A 22 5.563 9.220 4.664 1.00 0.00 C ATOM 364 C PHE A 22 4.390 8.252 4.787 1.00 0.00 C ATOM 365 O PHE A 22 4.033 7.835 5.889 1.00 0.00 O ATOM 366 CB PHE A 22 6.869 8.610 5.195 1.00 0.00 C ATOM 367 CG PHE A 22 7.913 8.391 4.118 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.641 7.507 3.058 1.00 0.00 C ATOM 369 CD2 PHE A 22 9.109 9.134 4.119 1.00 0.00 C ATOM 370 CE1 PHE A 22 8.561 7.365 2.004 1.00 0.00 C ATOM 371 CE2 PHE A 22 10.046 8.959 3.085 1.00 0.00 C ATOM 372 CZ PHE A 22 9.770 8.080 2.024 1.00 0.00 C ATOM 0 H PHE A 22 4.515 10.383 6.043 1.00 0.00 H new ATOM 0 HA PHE A 22 5.729 9.425 3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.281 9.265 5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.647 7.657 5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.724 6.936 3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.307 9.838 4.914 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.338 6.706 1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.980 9.501 3.106 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.486 7.954 1.225 1.00 0.00 H new ATOM 382 N LEU A 23 3.803 7.913 3.636 1.00 0.00 N ATOM 383 CA LEU A 23 2.727 6.947 3.500 1.00 0.00 C ATOM 384 C LEU A 23 3.346 5.580 3.274 1.00 0.00 C ATOM 385 O LEU A 23 4.305 5.466 2.512 1.00 0.00 O ATOM 386 CB LEU A 23 1.849 7.328 2.309 1.00 0.00 C ATOM 387 CG LEU A 23 0.625 6.424 2.099 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.241 6.251 3.353 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.242 7.045 1.000 1.00 0.00 C ATOM 0 H LEU A 23 4.080 8.323 2.744 1.00 0.00 H new ATOM 0 HA LEU A 23 2.109 6.932 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.507 8.355 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.458 7.308 1.405 1.00 0.00 H new ATOM 0 HG LEU A 23 1.000 5.435 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.085 5.600 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.356 5.806 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.610 7.224 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.119 6.420 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.560 8.042 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.335 7.116 0.078 1.00 0.00 H new ATOM 401 N ASN A 24 2.810 4.559 3.949 1.00 0.00 N ATOM 402 CA ASN A 24 3.336 3.208 3.918 1.00 0.00 C ATOM 403 C ASN A 24 2.175 2.228 3.763 1.00 0.00 C ATOM 404 O ASN A 24 1.561 1.837 4.757 1.00 0.00 O ATOM 405 CB ASN A 24 4.075 2.919 5.227 1.00 0.00 C ATOM 406 CG ASN A 24 5.355 3.730 5.438 1.00 0.00 C ATOM 407 OD1 ASN A 24 6.453 3.182 5.399 1.00 0.00 O ATOM 408 ND2 ASN A 24 5.229 5.030 5.711 1.00 0.00 N ATOM 0 H ASN A 24 1.985 4.659 4.540 1.00 0.00 H new ATOM 0 HA ASN A 24 4.027 3.099 3.082 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.398 3.113 6.059 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.325 1.859 5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.058 5.595 5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.304 5.458 5.737 1.00 0.00 H new ATOM 415 N CYS A 25 1.890 1.810 2.523 1.00 0.00 N ATOM 416 CA CYS A 25 0.869 0.805 2.245 1.00 0.00 C ATOM 417 C CYS A 25 1.509 -0.569 2.332 1.00 0.00 C ATOM 418 O CYS A 25 1.664 -1.255 1.325 1.00 0.00 O ATOM 419 CB CYS A 25 0.212 1.027 0.881 1.00 0.00 C ATOM 420 SG CYS A 25 -0.586 2.639 0.720 1.00 0.00 S ATOM 0 H CYS A 25 2.362 2.161 1.690 1.00 0.00 H new ATOM 0 HA CYS A 25 0.073 0.887 2.985 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.967 0.925 0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.528 0.245 0.712 1.00 0.00 H new ATOM 425 N TYR A 26 1.892 -0.963 3.547 1.00 0.00 N ATOM 426 CA TYR A 26 2.522 -2.243 3.793 1.00 0.00 C ATOM 427 C TYR A 26 1.472 -3.331 3.606 1.00 0.00 C ATOM 428 O TYR A 26 0.364 -3.190 4.115 1.00 0.00 O ATOM 429 CB TYR A 26 3.087 -2.234 5.216 1.00 0.00 C ATOM 430 CG TYR A 26 3.712 -3.531 5.704 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.398 -4.384 4.819 1.00 0.00 C ATOM 432 CD2 TYR A 26 3.550 -3.918 7.047 1.00 0.00 C ATOM 433 CE1 TYR A 26 4.769 -5.674 5.230 1.00 0.00 C ATOM 434 CE2 TYR A 26 3.914 -5.211 7.459 1.00 0.00 C ATOM 435 CZ TYR A 26 4.510 -6.097 6.545 1.00 0.00 C ATOM 436 OH TYR A 26 4.838 -7.365 6.929 1.00 0.00 O ATOM 0 H TYR A 26 1.770 -0.395 4.385 1.00 0.00 H new ATOM 0 HA TYR A 26 3.342 -2.434 3.101 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.839 -1.447 5.280 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.283 -1.963 5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.639 -4.045 3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.145 -3.219 7.763 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.254 -6.343 4.534 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.736 -5.524 8.477 1.00 0.00 H new ATOM 0 HH TYR A 26 4.594 -7.496 7.869 1.00 0.00 H new ATOM 446 N VAL A 27 1.803 -4.400 2.873 1.00 0.00 N ATOM 447 CA VAL A 27 0.916 -5.540 2.689 1.00 0.00 C ATOM 448 C VAL A 27 1.733 -6.797 2.918 1.00 0.00 C ATOM 449 O VAL A 27 2.912 -6.816 2.571 1.00 0.00 O ATOM 450 CB VAL A 27 0.306 -5.572 1.279 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.897 -6.522 1.239 1.00 0.00 C ATOM 452 CG2 VAL A 27 -0.164 -4.195 0.831 1.00 0.00 C ATOM 0 H VAL A 27 2.698 -4.493 2.392 1.00 0.00 H new ATOM 0 HA VAL A 27 0.088 -5.466 3.395 1.00 0.00 H new ATOM 0 HB VAL A 27 1.091 -5.917 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.318 -6.534 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.576 -7.528 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.654 -6.181 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.588 -4.263 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.922 -3.827 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.682 -3.507 0.821 1.00 0.00 H new ATOM 462 N SER A 28 1.107 -7.840 3.473 1.00 0.00 N ATOM 463 CA SER A 28 1.776 -9.108 3.689 1.00 0.00 C ATOM 464 C SER A 28 0.804 -10.282 3.775 1.00 0.00 C ATOM 465 O SER A 28 -0.405 -10.107 3.633 1.00 0.00 O ATOM 466 CB SER A 28 2.659 -8.998 4.941 1.00 0.00 C ATOM 467 OG SER A 28 1.851 -8.791 6.081 1.00 0.00 O ATOM 0 H SER A 28 0.134 -7.821 3.779 1.00 0.00 H new ATOM 0 HA SER A 28 2.403 -9.320 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.248 -9.907 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.363 -8.174 4.829 1.00 0.00 H new ATOM 0 HG SER A 28 2.419 -8.723 6.877 1.00 0.00 H new ATOM 473 N GLY A 29 1.348 -11.487 3.987 1.00 0.00 N ATOM 474 CA GLY A 29 0.573 -12.703 4.182 1.00 0.00 C ATOM 475 C GLY A 29 0.230 -13.415 2.871 1.00 0.00 C ATOM 476 O GLY A 29 -0.043 -14.613 2.891 1.00 0.00 O ATOM 0 H GLY A 29 2.356 -11.639 4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.133 -13.384 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.350 -12.458 4.707 1.00 0.00 H new ATOM 480 N PHE A 30 0.226 -12.690 1.745 1.00 0.00 N ATOM 481 CA PHE A 30 -0.139 -13.221 0.440 1.00 0.00 C ATOM 482 C PHE A 30 1.041 -13.952 -0.212 1.00 0.00 C ATOM 483 O PHE A 30 2.152 -13.929 0.309 1.00 0.00 O ATOM 484 CB PHE A 30 -0.674 -12.079 -0.436 1.00 0.00 C ATOM 485 CG PHE A 30 0.352 -11.017 -0.783 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.189 -11.220 -1.893 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.546 -9.889 0.040 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.273 -10.367 -2.131 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.639 -9.041 -0.190 1.00 0.00 C ATOM 490 CZ PHE A 30 2.509 -9.298 -1.260 1.00 0.00 C ATOM 0 H PHE A 30 0.482 -11.703 1.723 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.928 -13.964 0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.068 -12.501 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.509 -11.604 0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.995 -12.040 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.144 -9.679 0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.921 -10.533 -2.979 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.811 -8.192 0.455 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.370 -8.664 -1.413 1.00 0.00 H new ATOM 500 N HIS A 31 0.782 -14.590 -1.359 1.00 0.00 N ATOM 501 CA HIS A 31 1.745 -15.259 -2.232 1.00 0.00 C ATOM 502 C HIS A 31 0.966 -15.635 -3.508 1.00 0.00 C ATOM 503 O HIS A 31 -0.237 -15.872 -3.401 1.00 0.00 O ATOM 504 CB HIS A 31 2.369 -16.472 -1.517 1.00 0.00 C ATOM 505 CG HIS A 31 1.504 -17.698 -1.491 1.00 0.00 C ATOM 506 ND1 HIS A 31 0.917 -18.179 -0.323 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.205 -18.536 -2.527 1.00 0.00 C ATOM 508 CE1 HIS A 31 0.302 -19.302 -0.700 1.00 0.00 C ATOM 509 NE2 HIS A 31 0.420 -19.551 -2.016 1.00 0.00 N ATOM 0 H HIS A 31 -0.169 -14.655 -1.723 1.00 0.00 H new ATOM 0 HA HIS A 31 2.589 -14.621 -2.492 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.311 -16.719 -2.006 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.606 -16.189 -0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.523 -18.426 -3.553 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.235 -19.945 -0.018 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.013 -20.331 -2.532 1.00 0.00 H new ATOM 517 N PRO A 32 1.577 -15.702 -4.708 1.00 0.00 N ATOM 518 CA PRO A 32 2.983 -15.481 -5.000 1.00 0.00 C ATOM 519 C PRO A 32 3.258 -13.971 -5.154 1.00 0.00 C ATOM 520 O PRO A 32 2.630 -13.152 -4.484 1.00 0.00 O ATOM 521 CB PRO A 32 3.215 -16.289 -6.286 1.00 0.00 C ATOM 522 CG PRO A 32 1.913 -16.064 -7.047 1.00 0.00 C ATOM 523 CD PRO A 32 0.892 -16.148 -5.915 1.00 0.00 C ATOM 0 HA PRO A 32 3.665 -15.803 -4.213 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.080 -15.928 -6.843 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.388 -17.345 -6.078 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.892 -15.097 -7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.745 -16.824 -7.810 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.027 -15.519 -6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.524 -17.168 -5.799 1.00 0.00 H new ATOM 531 N SER A 33 4.198 -13.592 -6.028 1.00 0.00 N ATOM 532 CA SER A 33 4.766 -12.255 -6.113 1.00 0.00 C ATOM 533 C SER A 33 3.896 -11.227 -6.844 1.00 0.00 C ATOM 534 O SER A 33 4.148 -10.032 -6.706 1.00 0.00 O ATOM 535 CB SER A 33 6.135 -12.371 -6.792 1.00 0.00 C ATOM 536 OG SER A 33 5.988 -12.762 -8.141 1.00 0.00 O ATOM 0 H SER A 33 4.593 -14.234 -6.715 1.00 0.00 H new ATOM 0 HA SER A 33 4.843 -11.873 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.656 -11.415 -6.739 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.750 -13.098 -6.262 1.00 0.00 H new ATOM 0 HG SER A 33 6.871 -12.830 -8.560 1.00 0.00 H new ATOM 542 N ASP A 34 2.930 -11.666 -7.660 1.00 0.00 N ATOM 543 CA ASP A 34 2.267 -10.806 -8.633 1.00 0.00 C ATOM 544 C ASP A 34 1.187 -9.933 -7.980 1.00 0.00 C ATOM 545 O ASP A 34 0.008 -10.281 -8.003 1.00 0.00 O ATOM 546 CB ASP A 34 1.729 -11.674 -9.782 1.00 0.00 C ATOM 547 CG ASP A 34 1.005 -10.875 -10.867 1.00 0.00 C ATOM 548 OD1 ASP A 34 1.223 -9.646 -10.933 1.00 0.00 O ATOM 549 OD2 ASP A 34 0.252 -11.520 -11.628 1.00 0.00 O ATOM 0 H ASP A 34 2.590 -12.628 -7.660 1.00 0.00 H new ATOM 0 HA ASP A 34 2.988 -10.102 -9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.559 -12.217 -10.235 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.046 -12.419 -9.374 1.00 0.00 H new ATOM 554 N ILE A 35 1.606 -8.791 -7.414 1.00 0.00 N ATOM 555 CA ILE A 35 0.726 -7.800 -6.799 1.00 0.00 C ATOM 556 C ILE A 35 1.019 -6.382 -7.286 1.00 0.00 C ATOM 557 O ILE A 35 2.151 -6.045 -7.626 1.00 0.00 O ATOM 558 CB ILE A 35 0.782 -7.926 -5.268 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.227 -7.048 -4.517 1.00 0.00 C ATOM 560 CG2 ILE A 35 2.167 -7.651 -4.710 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.381 -7.497 -3.060 1.00 0.00 C ATOM 0 H ILE A 35 2.591 -8.530 -7.373 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.297 -8.007 -7.115 1.00 0.00 H new ATOM 0 HB ILE A 35 0.510 -8.967 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.100 -6.009 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.194 -7.093 -5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.149 -7.754 -3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.877 -8.364 -5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.471 -6.638 -4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.103 -6.855 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.732 -8.529 -3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.582 -7.428 -2.554 1.00 0.00 H new ATOM 573 N GLU A 36 -0.042 -5.569 -7.303 1.00 0.00 N ATOM 574 CA GLU A 36 -0.086 -4.196 -7.778 1.00 0.00 C ATOM 575 C GLU A 36 -0.563 -3.295 -6.642 1.00 0.00 C ATOM 576 O GLU A 36 -1.646 -3.523 -6.100 1.00 0.00 O ATOM 577 CB GLU A 36 -1.059 -4.068 -8.955 1.00 0.00 C ATOM 578 CG GLU A 36 -0.995 -5.270 -9.896 1.00 0.00 C ATOM 579 CD GLU A 36 -1.868 -5.043 -11.124 1.00 0.00 C ATOM 580 OE1 GLU A 36 -3.094 -4.892 -10.923 1.00 0.00 O ATOM 581 OE2 GLU A 36 -1.303 -5.009 -12.238 1.00 0.00 O ATOM 0 H GLU A 36 -0.951 -5.881 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 36 0.911 -3.902 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.075 -3.962 -8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.832 -3.160 -9.514 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.036 -5.442 -10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.324 -6.167 -9.371 1.00 0.00 H new ATOM 588 N VAL A 37 0.239 -2.283 -6.286 1.00 0.00 N ATOM 589 CA VAL A 37 -0.077 -1.331 -5.228 1.00 0.00 C ATOM 590 C VAL A 37 0.354 0.063 -5.677 1.00 0.00 C ATOM 591 O VAL A 37 1.320 0.628 -5.166 1.00 0.00 O ATOM 592 CB VAL A 37 0.544 -1.783 -3.889 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.152 -0.910 -2.688 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.084 -3.205 -3.558 1.00 0.00 C ATOM 0 H VAL A 37 1.137 -2.105 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.151 -1.292 -5.046 1.00 0.00 H new ATOM 0 HB VAL A 37 1.621 -1.707 -4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.630 -1.295 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.478 0.115 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.930 -0.930 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.525 -3.519 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.003 -3.226 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.402 -3.884 -4.350 1.00 0.00 H new ATOM 604 N ASP A 38 -0.386 0.614 -6.646 1.00 0.00 N ATOM 605 CA ASP A 38 -0.199 1.973 -7.131 1.00 0.00 C ATOM 606 C ASP A 38 -0.919 2.934 -6.190 1.00 0.00 C ATOM 607 O ASP A 38 -2.060 2.684 -5.802 1.00 0.00 O ATOM 608 CB ASP A 38 -0.712 2.123 -8.571 1.00 0.00 C ATOM 609 CG ASP A 38 -0.205 0.979 -9.447 1.00 0.00 C ATOM 610 OD1 ASP A 38 0.979 1.048 -9.842 1.00 0.00 O ATOM 611 OD2 ASP A 38 -1.002 0.048 -9.689 1.00 0.00 O ATOM 0 H ASP A 38 -1.141 0.116 -7.118 1.00 0.00 H new ATOM 0 HA ASP A 38 0.865 2.208 -7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.802 2.135 -8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.382 3.077 -8.983 1.00 0.00 H new ATOM 616 N LEU A 39 -0.247 4.028 -5.822 1.00 0.00 N ATOM 617 CA LEU A 39 -0.801 5.036 -4.937 1.00 0.00 C ATOM 618 C LEU A 39 -1.570 6.054 -5.771 1.00 0.00 C ATOM 619 O LEU A 39 -1.083 6.498 -6.811 1.00 0.00 O ATOM 620 CB LEU A 39 0.325 5.674 -4.130 1.00 0.00 C ATOM 621 CG LEU A 39 0.916 4.655 -3.142 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.380 4.356 -3.457 1.00 0.00 C ATOM 623 CD2 LEU A 39 0.773 5.194 -1.721 1.00 0.00 C ATOM 0 H LEU A 39 0.702 4.233 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.498 4.592 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.104 6.034 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.053 6.540 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 39 0.367 3.718 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.766 3.632 -2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.459 3.946 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.961 5.276 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.190 4.475 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.308 6.140 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.282 5.352 -1.496 1.00 0.00 H new ATOM 635 N LEU A 40 -2.796 6.363 -5.334 1.00 0.00 N ATOM 636 CA LEU A 40 -3.815 6.995 -6.151 1.00 0.00 C ATOM 637 C LEU A 40 -4.610 7.944 -5.261 1.00 0.00 C ATOM 638 O LEU A 40 -5.256 7.493 -4.320 1.00 0.00 O ATOM 639 CB LEU A 40 -4.712 5.895 -6.742 1.00 0.00 C ATOM 640 CG LEU A 40 -5.327 6.225 -8.108 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.116 7.540 -8.106 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.242 6.262 -9.186 1.00 0.00 C ATOM 0 H LEU A 40 -3.105 6.173 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.381 7.565 -6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.126 4.981 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.518 5.687 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.038 5.429 -8.331 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.527 7.719 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.929 7.475 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.453 8.361 -7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.694 6.497 -10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.505 7.025 -8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.752 5.290 -9.243 1.00 0.00 H new ATOM 654 N LYS A 41 -4.539 9.254 -5.516 1.00 0.00 N ATOM 655 CA LYS A 41 -5.151 10.234 -4.632 1.00 0.00 C ATOM 656 C LYS A 41 -6.627 10.444 -4.995 1.00 0.00 C ATOM 657 O LYS A 41 -7.355 9.475 -5.201 1.00 0.00 O ATOM 658 CB LYS A 41 -4.299 11.501 -4.684 1.00 0.00 C ATOM 659 CG LYS A 41 -2.838 11.176 -4.368 1.00 0.00 C ATOM 660 CD LYS A 41 -1.909 12.160 -5.062 1.00 0.00 C ATOM 661 CE LYS A 41 -2.323 13.604 -4.781 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.169 14.521 -4.781 1.00 0.00 N ATOM 0 H LYS A 41 -4.064 9.653 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.170 9.890 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.371 11.955 -5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.678 12.231 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.676 11.213 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.608 10.161 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.886 12.000 -4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.920 11.978 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.043 13.927 -5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.826 13.655 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.507 15.504 -4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.570 14.325 -3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.615 14.382 -5.650 1.00 0.00 H new ATOM 676 N ASN A 42 -7.062 11.704 -5.105 1.00 0.00 N ATOM 677 CA ASN A 42 -8.385 12.074 -5.597 1.00 0.00 C ATOM 678 C ASN A 42 -8.590 11.582 -7.036 1.00 0.00 C ATOM 679 O ASN A 42 -9.676 11.123 -7.385 1.00 0.00 O ATOM 680 CB ASN A 42 -8.588 13.593 -5.464 1.00 0.00 C ATOM 681 CG ASN A 42 -7.858 14.390 -6.548 1.00 0.00 C ATOM 682 OD1 ASN A 42 -8.497 14.981 -7.415 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.522 14.395 -6.525 1.00 0.00 N ATOM 0 H ASN A 42 -6.489 12.508 -4.848 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.145 11.584 -4.988 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.654 13.817 -5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.237 13.917 -4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.001 14.900 -7.242 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.023 13.894 -5.790 1.00 0.00 H new ATOM 690 N GLY A 43 -7.534 11.650 -7.855 1.00 0.00 N ATOM 691 CA GLY A 43 -7.506 11.101 -9.202 1.00 0.00 C ATOM 692 C GLY A 43 -6.128 11.312 -9.827 1.00 0.00 C ATOM 693 O GLY A 43 -6.032 11.691 -10.992 1.00 0.00 O ATOM 0 H GLY A 43 -6.659 12.100 -7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.742 10.037 -9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.269 11.581 -9.815 1.00 0.00 H new ATOM 697 N GLU A 44 -5.069 11.080 -9.039 1.00 0.00 N ATOM 698 CA GLU A 44 -3.685 11.328 -9.417 1.00 0.00 C ATOM 699 C GLU A 44 -2.828 10.130 -9.008 1.00 0.00 C ATOM 700 O GLU A 44 -2.732 9.811 -7.823 1.00 0.00 O ATOM 701 CB GLU A 44 -3.220 12.614 -8.728 1.00 0.00 C ATOM 702 CG GLU A 44 -1.735 12.926 -8.961 1.00 0.00 C ATOM 703 CD GLU A 44 -1.281 14.091 -8.086 1.00 0.00 C ATOM 704 OE1 GLU A 44 -1.977 15.129 -8.100 1.00 0.00 O ATOM 705 OE2 GLU A 44 -0.266 13.913 -7.377 1.00 0.00 O ATOM 0 H GLU A 44 -5.162 10.704 -8.095 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.590 11.454 -10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.820 13.449 -9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.403 12.530 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.135 12.044 -8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.570 13.168 -10.011 1.00 0.00 H new ATOM 712 N ARG A 45 -2.189 9.498 -10.000 1.00 0.00 N ATOM 713 CA ARG A 45 -1.239 8.409 -9.828 1.00 0.00 C ATOM 714 C ARG A 45 0.111 8.980 -9.412 1.00 0.00 C ATOM 715 O ARG A 45 0.650 9.856 -10.087 1.00 0.00 O ATOM 716 CB ARG A 45 -1.129 7.632 -11.148 1.00 0.00 C ATOM 717 CG ARG A 45 0.033 6.628 -11.153 1.00 0.00 C ATOM 718 CD ARG A 45 0.028 5.811 -12.449 1.00 0.00 C ATOM 719 NE ARG A 45 1.338 5.190 -12.698 1.00 0.00 N ATOM 720 CZ ARG A 45 1.783 4.062 -12.126 1.00 0.00 C ATOM 721 NH1 ARG A 45 1.008 3.380 -11.276 1.00 0.00 N ATOM 722 NH2 ARG A 45 3.013 3.620 -12.412 1.00 0.00 N ATOM 0 H ARG A 45 -2.330 9.746 -10.979 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.576 7.726 -9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.063 7.101 -11.330 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.998 8.337 -11.969 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.980 7.158 -11.054 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.051 5.961 -10.295 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.738 5.037 -12.390 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.235 6.457 -13.287 1.00 0.00 H new ATOM 0 HE ARG A 45 1.959 5.656 -13.360 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.070 3.717 -11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.355 2.523 -10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.604 4.140 -13.061 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.360 2.763 -11.981 1.00 0.00 H new ATOM 736 N ILE A 46 0.662 8.461 -8.313 1.00 0.00 N ATOM 737 CA ILE A 46 1.924 8.871 -7.765 1.00 0.00 C ATOM 738 C ILE A 46 2.997 7.909 -8.271 1.00 0.00 C ATOM 739 O ILE A 46 3.234 6.865 -7.664 1.00 0.00 O ATOM 740 CB ILE A 46 1.784 8.815 -6.242 1.00 0.00 C ATOM 741 CG1 ILE A 46 0.514 9.536 -5.759 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.047 9.404 -5.629 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.494 9.638 -4.239 1.00 0.00 C ATOM 0 H ILE A 46 0.214 7.720 -7.774 1.00 0.00 H new ATOM 0 HA ILE A 46 2.208 9.880 -8.064 1.00 0.00 H new ATOM 0 HB ILE A 46 1.673 7.780 -5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.469 10.534 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.369 8.997 -6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.971 9.375 -4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.912 8.822 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.163 10.437 -5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.413 10.151 -3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.515 8.638 -3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.366 10.198 -3.900 1.00 0.00 H new ATOM 755 N GLU A 47 3.667 8.262 -9.372 1.00 0.00 N ATOM 756 CA GLU A 47 4.712 7.445 -9.958 1.00 0.00 C ATOM 757 C GLU A 47 6.061 7.766 -9.297 1.00 0.00 C ATOM 758 O GLU A 47 7.061 8.006 -9.972 1.00 0.00 O ATOM 759 CB GLU A 47 4.651 7.662 -11.474 1.00 0.00 C ATOM 760 CG GLU A 47 5.362 6.554 -12.248 1.00 0.00 C ATOM 761 CD GLU A 47 4.871 6.506 -13.693 1.00 0.00 C ATOM 762 OE1 GLU A 47 3.852 5.816 -13.921 1.00 0.00 O ATOM 763 OE2 GLU A 47 5.504 7.173 -14.538 1.00 0.00 O ATOM 0 H GLU A 47 3.492 9.130 -9.878 1.00 0.00 H new ATOM 0 HA GLU A 47 4.575 6.379 -9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.609 7.711 -11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.105 8.622 -11.720 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.439 6.724 -12.230 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.183 5.593 -11.765 1.00 0.00 H new ATOM 770 N LYS A 48 6.072 7.767 -7.956 1.00 0.00 N ATOM 771 CA LYS A 48 7.244 7.976 -7.115 1.00 0.00 C ATOM 772 C LYS A 48 7.104 7.086 -5.882 1.00 0.00 C ATOM 773 O LYS A 48 7.023 7.568 -4.752 1.00 0.00 O ATOM 774 CB LYS A 48 7.392 9.457 -6.731 1.00 0.00 C ATOM 775 CG LYS A 48 7.743 10.340 -7.933 1.00 0.00 C ATOM 776 CD LYS A 48 7.985 11.780 -7.469 1.00 0.00 C ATOM 777 CE LYS A 48 8.338 12.672 -8.662 1.00 0.00 C ATOM 778 NZ LYS A 48 8.508 14.076 -8.248 1.00 0.00 N ATOM 0 H LYS A 48 5.223 7.615 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 48 8.150 7.707 -7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.462 9.809 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.167 9.557 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.633 9.955 -8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.934 10.315 -8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.094 12.163 -6.971 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.793 11.802 -6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.256 12.314 -9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.552 12.605 -9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.747 14.656 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.623 14.423 -7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.274 14.141 -7.548 1.00 0.00 H new ATOM 792 N VAL A 49 7.065 5.773 -6.127 1.00 0.00 N ATOM 793 CA VAL A 49 6.965 4.745 -5.105 1.00 0.00 C ATOM 794 C VAL A 49 8.342 4.106 -4.956 1.00 0.00 C ATOM 795 O VAL A 49 8.875 3.604 -5.945 1.00 0.00 O ATOM 796 CB VAL A 49 5.930 3.680 -5.516 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.572 2.808 -4.305 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.659 4.303 -6.112 1.00 0.00 C ATOM 0 H VAL A 49 7.104 5.392 -7.072 1.00 0.00 H new ATOM 0 HA VAL A 49 6.640 5.181 -4.160 1.00 0.00 H new ATOM 0 HB VAL A 49 6.383 3.065 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.840 2.057 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.470 2.313 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.152 3.434 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.960 3.512 -6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.195 4.958 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.919 4.881 -6.999 1.00 0.00 H new ATOM 808 N GLU A 50 8.900 4.095 -3.740 1.00 0.00 N ATOM 809 CA GLU A 50 10.035 3.247 -3.414 1.00 0.00 C ATOM 810 C GLU A 50 9.512 2.087 -2.575 1.00 0.00 C ATOM 811 O GLU A 50 8.451 2.198 -1.962 1.00 0.00 O ATOM 812 CB GLU A 50 11.111 4.065 -2.694 1.00 0.00 C ATOM 813 CG GLU A 50 12.441 3.316 -2.528 1.00 0.00 C ATOM 814 CD GLU A 50 12.986 2.757 -3.840 1.00 0.00 C ATOM 815 OE1 GLU A 50 13.648 3.535 -4.561 1.00 0.00 O ATOM 816 OE2 GLU A 50 12.717 1.562 -4.097 1.00 0.00 O ATOM 0 H GLU A 50 8.575 4.672 -2.964 1.00 0.00 H new ATOM 0 HA GLU A 50 10.509 2.846 -4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.289 4.986 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.740 4.353 -1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.179 3.991 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.304 2.498 -1.821 1.00 0.00 H new ATOM 823 N HIS A 51 10.229 0.961 -2.569 1.00 0.00 N ATOM 824 CA HIS A 51 9.780 -0.233 -1.876 1.00 0.00 C ATOM 825 C HIS A 51 10.951 -0.932 -1.200 1.00 0.00 C ATOM 826 O HIS A 51 12.084 -0.869 -1.676 1.00 0.00 O ATOM 827 CB HIS A 51 9.046 -1.160 -2.852 1.00 0.00 C ATOM 828 CG HIS A 51 9.934 -1.716 -3.933 1.00 0.00 C ATOM 829 ND1 HIS A 51 10.549 -2.959 -3.798 1.00 0.00 N ATOM 830 CD2 HIS A 51 10.291 -1.171 -5.137 1.00 0.00 C ATOM 831 CE1 HIS A 51 11.249 -3.119 -4.924 1.00 0.00 C ATOM 832 NE2 HIS A 51 11.123 -2.077 -5.763 1.00 0.00 N ATOM 0 H HIS A 51 11.127 0.858 -3.041 1.00 0.00 H new ATOM 0 HA HIS A 51 9.078 0.050 -1.092 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.605 -1.986 -2.294 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.224 -0.612 -3.313 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.480 -3.605 -3.012 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.980 -0.212 -5.524 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.850 -3.990 -5.137 1.00 0.00 H new ATOM 840 N SER A 52 10.657 -1.603 -0.082 1.00 0.00 N ATOM 841 CA SER A 52 11.643 -2.325 0.705 1.00 0.00 C ATOM 842 C SER A 52 11.899 -3.701 0.085 1.00 0.00 C ATOM 843 O SER A 52 11.610 -4.728 0.701 1.00 0.00 O ATOM 844 CB SER A 52 11.169 -2.417 2.160 1.00 0.00 C ATOM 845 OG SER A 52 12.222 -2.870 2.986 1.00 0.00 O ATOM 0 H SER A 52 9.713 -1.656 0.301 1.00 0.00 H new ATOM 0 HA SER A 52 12.593 -1.790 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.824 -1.441 2.500 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.321 -3.098 2.232 1.00 0.00 H new ATOM 0 HG SER A 52 11.910 -2.924 3.913 1.00 0.00 H new ATOM 851 N ASP A 53 12.441 -3.706 -1.142 1.00 0.00 N ATOM 852 CA ASP A 53 12.787 -4.899 -1.907 1.00 0.00 C ATOM 853 C ASP A 53 11.594 -5.869 -1.969 1.00 0.00 C ATOM 854 O ASP A 53 10.445 -5.428 -1.985 1.00 0.00 O ATOM 855 CB ASP A 53 14.079 -5.504 -1.324 1.00 0.00 C ATOM 856 CG ASP A 53 14.817 -6.387 -2.328 1.00 0.00 C ATOM 857 OD1 ASP A 53 15.578 -5.818 -3.139 1.00 0.00 O ATOM 858 OD2 ASP A 53 14.604 -7.618 -2.270 1.00 0.00 O ATOM 0 H ASP A 53 12.656 -2.843 -1.642 1.00 0.00 H new ATOM 0 HA ASP A 53 12.997 -4.651 -2.948 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.739 -4.699 -0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.834 -6.092 -0.439 1.00 0.00 H new ATOM 863 N LEU A 54 11.853 -7.182 -1.963 1.00 0.00 N ATOM 864 CA LEU A 54 10.870 -8.222 -1.710 1.00 0.00 C ATOM 865 C LEU A 54 11.371 -8.982 -0.483 1.00 0.00 C ATOM 866 O LEU A 54 12.492 -9.489 -0.483 1.00 0.00 O ATOM 867 CB LEU A 54 10.722 -9.119 -2.955 1.00 0.00 C ATOM 868 CG LEU A 54 9.535 -10.106 -2.926 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.590 -11.078 -1.750 1.00 0.00 C ATOM 870 CD2 LEU A 54 8.182 -9.389 -2.980 1.00 0.00 C ATOM 0 H LEU A 54 12.786 -7.554 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 54 9.875 -7.823 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.619 -8.480 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.643 -9.689 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 54 9.634 -10.702 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.728 -11.744 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.506 -11.666 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.576 -10.519 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.379 -10.125 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.088 -8.723 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.115 -8.807 -3.899 1.00 0.00 H new ATOM 882 N SER A 55 10.543 -9.046 0.566 1.00 0.00 N ATOM 883 CA SER A 55 10.856 -9.709 1.821 1.00 0.00 C ATOM 884 C SER A 55 9.799 -10.779 2.071 1.00 0.00 C ATOM 885 O SER A 55 8.802 -10.525 2.735 1.00 0.00 O ATOM 886 CB SER A 55 10.906 -8.668 2.947 1.00 0.00 C ATOM 887 OG SER A 55 11.256 -9.282 4.172 1.00 0.00 O ATOM 0 H SER A 55 9.614 -8.625 0.557 1.00 0.00 H new ATOM 0 HA SER A 55 11.833 -10.192 1.783 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.631 -7.892 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.936 -8.179 3.042 1.00 0.00 H new ATOM 0 HG SER A 55 10.465 -9.337 4.748 1.00 0.00 H new ATOM 893 N PHE A 56 10.018 -11.989 1.548 1.00 0.00 N ATOM 894 CA PHE A 56 9.110 -13.112 1.752 1.00 0.00 C ATOM 895 C PHE A 56 9.394 -13.868 3.056 1.00 0.00 C ATOM 896 O PHE A 56 8.866 -14.962 3.246 1.00 0.00 O ATOM 897 CB PHE A 56 9.108 -14.024 0.518 1.00 0.00 C ATOM 898 CG PHE A 56 10.310 -14.916 0.285 1.00 0.00 C ATOM 899 CD1 PHE A 56 11.517 -14.379 -0.199 1.00 0.00 C ATOM 900 CD2 PHE A 56 10.131 -16.312 0.305 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.570 -15.233 -0.572 1.00 0.00 C ATOM 902 CE2 PHE A 56 11.172 -17.167 -0.095 1.00 0.00 C ATOM 903 CZ PHE A 56 12.399 -16.627 -0.517 1.00 0.00 C ATOM 0 H PHE A 56 10.830 -12.213 0.973 1.00 0.00 H new ATOM 0 HA PHE A 56 8.102 -12.715 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.226 -14.662 0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.986 -13.393 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.635 -13.309 -0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.189 -16.728 0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.511 -14.817 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.029 -18.237 -0.078 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.210 -17.283 -0.799 1.00 0.00 H new ATOM 913 N SER A 57 10.208 -13.286 3.953 1.00 0.00 N ATOM 914 CA SER A 57 10.627 -13.858 5.229 1.00 0.00 C ATOM 915 C SER A 57 11.133 -15.296 5.058 1.00 0.00 C ATOM 916 O SER A 57 10.850 -16.149 5.897 1.00 0.00 O ATOM 917 CB SER A 57 9.477 -13.772 6.237 1.00 0.00 C ATOM 918 OG SER A 57 9.894 -14.168 7.526 1.00 0.00 O ATOM 0 H SER A 57 10.606 -12.361 3.794 1.00 0.00 H new ATOM 0 HA SER A 57 11.465 -13.279 5.617 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.098 -12.751 6.273 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.654 -14.406 5.908 1.00 0.00 H new ATOM 0 HG SER A 57 10.388 -15.012 7.465 1.00 0.00 H new ATOM 924 N LYS A 58 11.862 -15.550 3.960 1.00 0.00 N ATOM 925 CA LYS A 58 12.225 -16.870 3.442 1.00 0.00 C ATOM 926 C LYS A 58 11.226 -17.984 3.820 1.00 0.00 C ATOM 927 O LYS A 58 11.624 -19.074 4.225 1.00 0.00 O ATOM 928 CB LYS A 58 13.700 -17.160 3.760 1.00 0.00 C ATOM 929 CG LYS A 58 14.326 -18.233 2.860 1.00 0.00 C ATOM 930 CD LYS A 58 15.834 -18.317 3.129 1.00 0.00 C ATOM 931 CE LYS A 58 16.467 -19.488 2.370 1.00 0.00 C ATOM 932 NZ LYS A 58 17.930 -19.521 2.549 1.00 0.00 N ATOM 0 H LYS A 58 12.232 -14.796 3.381 1.00 0.00 H new ATOM 0 HA LYS A 58 12.138 -16.858 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.272 -16.237 3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.783 -17.477 4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.858 -19.199 3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.146 -17.993 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.312 -17.385 2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.009 -18.436 4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.035 -20.426 2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.231 -19.405 1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.326 -20.325 2.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.343 -18.636 2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.154 -19.625 3.559 1.00 0.00 H new ATOM 946 N ASP A 59 9.924 -17.688 3.670 1.00 0.00 N ATOM 947 CA ASP A 59 8.806 -18.511 4.119 1.00 0.00 C ATOM 948 C ASP A 59 7.997 -19.014 2.913 1.00 0.00 C ATOM 949 O ASP A 59 8.363 -18.772 1.764 1.00 0.00 O ATOM 950 CB ASP A 59 7.940 -17.635 5.047 1.00 0.00 C ATOM 951 CG ASP A 59 6.868 -18.411 5.807 1.00 0.00 C ATOM 952 OD1 ASP A 59 7.252 -19.314 6.580 1.00 0.00 O ATOM 953 OD2 ASP A 59 5.677 -18.112 5.572 1.00 0.00 O ATOM 0 H ASP A 59 9.617 -16.830 3.212 1.00 0.00 H new ATOM 0 HA ASP A 59 9.158 -19.392 4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.588 -17.132 5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.459 -16.858 4.453 1.00 0.00 H new ATOM 958 N TRP A 60 6.862 -19.672 3.174 1.00 0.00 N ATOM 959 CA TRP A 60 5.805 -19.907 2.200 1.00 0.00 C ATOM 960 C TRP A 60 5.090 -18.594 1.853 1.00 0.00 C ATOM 961 O TRP A 60 4.630 -18.426 0.724 1.00 0.00 O ATOM 962 CB TRP A 60 4.807 -20.922 2.765 1.00 0.00 C ATOM 963 CG TRP A 60 5.408 -22.212 3.235 1.00 0.00 C ATOM 964 CD1 TRP A 60 5.967 -22.410 4.449 1.00 0.00 C ATOM 965 CD2 TRP A 60 5.560 -23.473 2.517 1.00 0.00 C ATOM 966 NE1 TRP A 60 6.453 -23.698 4.540 1.00 0.00 N ATOM 967 CE2 TRP A 60 6.234 -24.397 3.371 1.00 0.00 C ATOM 968 CE3 TRP A 60 5.202 -23.933 1.231 1.00 0.00 C ATOM 969 CZ2 TRP A 60 6.541 -25.705 2.967 1.00 0.00 C ATOM 970 CZ3 TRP A 60 5.505 -25.243 0.816 1.00 0.00 C ATOM 971 CH2 TRP A 60 6.178 -26.126 1.678 1.00 0.00 C ATOM 0 H TRP A 60 6.654 -20.063 4.093 1.00 0.00 H new ATOM 0 HA TRP A 60 6.246 -20.306 1.286 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.277 -20.461 3.599 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.064 -21.143 1.998 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.025 -21.669 5.233 1.00 0.00 H new ATOM 0 HE1 TRP A 60 6.914 -24.083 5.364 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.687 -23.268 0.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.050 -26.380 3.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 5.218 -25.572 -0.172 1.00 0.00 H new ATOM 0 HH2 TRP A 60 6.415 -27.127 1.349 1.00 0.00 H new ATOM 982 N SER A 61 4.997 -17.670 2.824 1.00 0.00 N ATOM 983 CA SER A 61 4.414 -16.343 2.660 1.00 0.00 C ATOM 984 C SER A 61 5.257 -15.479 1.711 1.00 0.00 C ATOM 985 O SER A 61 6.220 -15.955 1.115 1.00 0.00 O ATOM 986 CB SER A 61 4.263 -15.690 4.043 1.00 0.00 C ATOM 987 OG SER A 61 3.478 -14.515 3.977 1.00 0.00 O ATOM 0 H SER A 61 5.338 -17.839 3.770 1.00 0.00 H new ATOM 0 HA SER A 61 3.429 -16.433 2.203 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.804 -16.398 4.733 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.248 -15.449 4.443 1.00 0.00 H new ATOM 0 HG SER A 61 3.399 -14.124 4.872 1.00 0.00 H new ATOM 993 N PHE A 62 4.871 -14.208 1.563 1.00 0.00 N ATOM 994 CA PHE A 62 5.393 -13.264 0.589 1.00 0.00 C ATOM 995 C PHE A 62 4.913 -11.875 1.001 1.00 0.00 C ATOM 996 O PHE A 62 3.731 -11.719 1.309 1.00 0.00 O ATOM 997 CB PHE A 62 4.887 -13.621 -0.818 1.00 0.00 C ATOM 998 CG PHE A 62 5.966 -13.610 -1.873 1.00 0.00 C ATOM 999 CD1 PHE A 62 6.831 -14.712 -1.982 1.00 0.00 C ATOM 1000 CD2 PHE A 62 6.130 -12.512 -2.734 1.00 0.00 C ATOM 1001 CE1 PHE A 62 7.830 -14.745 -2.960 1.00 0.00 C ATOM 1002 CE2 PHE A 62 7.113 -12.560 -3.733 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.963 -13.672 -3.853 1.00 0.00 C ATOM 0 H PHE A 62 4.148 -13.796 2.153 1.00 0.00 H new ATOM 0 HA PHE A 62 6.482 -13.295 0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.429 -14.610 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.106 -12.916 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.723 -15.544 -1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.504 -11.638 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.496 -15.593 -3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.218 -11.732 -4.418 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.714 -13.700 -4.628 1.00 0.00 H new ATOM 1013 N TYR A 63 5.796 -10.865 1.022 1.00 0.00 N ATOM 1014 CA TYR A 63 5.340 -9.512 1.304 1.00 0.00 C ATOM 1015 C TYR A 63 6.379 -8.486 0.868 1.00 0.00 C ATOM 1016 O TYR A 63 7.495 -8.834 0.481 1.00 0.00 O ATOM 1017 CB TYR A 63 5.066 -9.317 2.794 1.00 0.00 C ATOM 1018 CG TYR A 63 6.165 -9.661 3.754 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.040 -8.636 4.151 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.184 -10.902 4.407 1.00 0.00 C ATOM 1021 CE1 TYR A 63 7.944 -8.851 5.198 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.069 -11.108 5.475 1.00 0.00 C ATOM 1023 CZ TYR A 63 7.939 -10.077 5.885 1.00 0.00 C ATOM 1024 OH TYR A 63 8.772 -10.253 6.951 1.00 0.00 O ATOM 0 H TYR A 63 6.797 -10.961 0.852 1.00 0.00 H new ATOM 0 HA TYR A 63 4.417 -9.366 0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.797 -8.273 2.952 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.193 -9.914 3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.015 -7.681 3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.522 -11.694 4.089 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.643 -8.077 5.477 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.084 -12.060 5.985 1.00 0.00 H new ATOM 0 HH TYR A 63 8.489 -11.041 7.460 1.00 0.00 H new ATOM 1034 N LEU A 64 5.994 -7.209 0.972 1.00 0.00 N ATOM 1035 CA LEU A 64 6.822 -6.063 0.637 1.00 0.00 C ATOM 1036 C LEU A 64 6.146 -4.801 1.157 1.00 0.00 C ATOM 1037 O LEU A 64 4.922 -4.746 1.273 1.00 0.00 O ATOM 1038 CB LEU A 64 7.152 -5.972 -0.871 1.00 0.00 C ATOM 1039 CG LEU A 64 5.975 -5.733 -1.838 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.388 -5.884 -3.309 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.847 -6.742 -1.659 1.00 0.00 C ATOM 0 H LEU A 64 5.066 -6.945 1.303 1.00 0.00 H new ATOM 0 HA LEU A 64 7.790 -6.182 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.873 -5.166 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.648 -6.897 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 64 5.651 -4.719 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.524 -5.706 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.169 -5.161 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.764 -6.893 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.047 -6.523 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.226 -7.748 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.459 -6.678 -0.642 1.00 0.00 H new ATOM 1053 N LEU A 65 6.966 -3.806 1.498 1.00 0.00 N ATOM 1054 CA LEU A 65 6.546 -2.504 1.971 1.00 0.00 C ATOM 1055 C LEU A 65 6.725 -1.537 0.802 1.00 0.00 C ATOM 1056 O LEU A 65 7.763 -1.584 0.147 1.00 0.00 O ATOM 1057 CB LEU A 65 7.438 -2.149 3.166 1.00 0.00 C ATOM 1058 CG LEU A 65 6.755 -1.255 4.203 1.00 0.00 C ATOM 1059 CD1 LEU A 65 7.796 -0.904 5.268 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.166 0.000 3.561 1.00 0.00 C ATOM 0 H LEU A 65 7.981 -3.898 1.447 1.00 0.00 H new ATOM 0 HA LEU A 65 5.507 -2.467 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.763 -3.070 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.335 -1.647 2.802 1.00 0.00 H new ATOM 0 HG LEU A 65 5.917 -1.783 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.341 -0.265 6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.160 -1.819 5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.629 -0.378 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.689 0.611 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.962 0.572 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.427 -0.287 2.813 1.00 0.00 H new ATOM 1072 N TYR A 66 5.715 -0.706 0.517 1.00 0.00 N ATOM 1073 CA TYR A 66 5.653 0.140 -0.665 1.00 0.00 C ATOM 1074 C TYR A 66 5.277 1.551 -0.214 1.00 0.00 C ATOM 1075 O TYR A 66 4.113 1.808 0.100 1.00 0.00 O ATOM 1076 CB TYR A 66 4.612 -0.384 -1.685 1.00 0.00 C ATOM 1077 CG TYR A 66 4.344 -1.881 -1.795 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.733 -2.557 -0.716 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.312 -2.478 -3.072 1.00 0.00 C ATOM 1080 CE1 TYR A 66 3.066 -3.771 -0.916 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.596 -3.670 -3.281 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.924 -4.279 -2.212 1.00 0.00 C ATOM 1083 OH TYR A 66 2.134 -5.365 -2.428 1.00 0.00 O ATOM 0 H TYR A 66 4.900 -0.606 1.123 1.00 0.00 H new ATOM 0 HA TYR A 66 6.623 0.136 -1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.662 0.100 -1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.919 -0.036 -2.671 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.781 -2.132 0.276 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.840 -2.017 -3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.663 -4.313 -0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.564 -4.116 -4.264 1.00 0.00 H new ATOM 0 HH TYR A 66 1.410 -5.379 -1.768 1.00 0.00 H new ATOM 1093 N TYR A 67 6.267 2.447 -0.129 1.00 0.00 N ATOM 1094 CA TYR A 67 6.084 3.760 0.472 1.00 0.00 C ATOM 1095 C TYR A 67 6.365 4.914 -0.485 1.00 0.00 C ATOM 1096 O TYR A 67 7.093 4.784 -1.468 1.00 0.00 O ATOM 1097 CB TYR A 67 6.920 3.894 1.753 1.00 0.00 C ATOM 1098 CG TYR A 67 8.275 3.218 1.758 1.00 0.00 C ATOM 1099 CD1 TYR A 67 9.205 3.468 0.737 1.00 0.00 C ATOM 1100 CD2 TYR A 67 8.580 2.276 2.753 1.00 0.00 C ATOM 1101 CE1 TYR A 67 10.389 2.720 0.673 1.00 0.00 C ATOM 1102 CE2 TYR A 67 9.745 1.500 2.665 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.656 1.721 1.620 1.00 0.00 C ATOM 1104 OH TYR A 67 11.797 0.980 1.522 1.00 0.00 O ATOM 0 H TYR A 67 7.211 2.277 -0.475 1.00 0.00 H new ATOM 0 HA TYR A 67 5.027 3.832 0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.069 4.955 1.952 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.337 3.493 2.582 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.009 4.235 0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.913 2.148 3.592 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.103 2.915 -0.114 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.941 0.733 3.400 1.00 0.00 H new ATOM 0 HH TYR A 67 11.954 0.508 2.366 1.00 0.00 H new ATOM 1114 N THR A 68 5.769 6.058 -0.143 1.00 0.00 N ATOM 1115 CA THR A 68 5.940 7.324 -0.855 1.00 0.00 C ATOM 1116 C THR A 68 5.964 8.479 0.160 1.00 0.00 C ATOM 1117 O THR A 68 5.270 8.415 1.175 1.00 0.00 O ATOM 1118 CB THR A 68 4.836 7.505 -1.911 1.00 0.00 C ATOM 1119 OG1 THR A 68 5.151 8.594 -2.754 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.449 7.737 -1.313 1.00 0.00 C ATOM 0 H THR A 68 5.139 6.130 0.656 1.00 0.00 H new ATOM 0 HA THR A 68 6.890 7.320 -1.389 1.00 0.00 H new ATOM 0 HB THR A 68 4.798 6.570 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.781 8.301 -3.445 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.722 7.856 -2.116 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.171 6.883 -0.696 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.463 8.638 -0.700 1.00 0.00 H new ATOM 1128 N GLU A 69 6.739 9.537 -0.108 1.00 0.00 N ATOM 1129 CA GLU A 69 6.876 10.697 0.770 1.00 0.00 C ATOM 1130 C GLU A 69 5.706 11.673 0.574 1.00 0.00 C ATOM 1131 O GLU A 69 5.882 12.764 0.035 1.00 0.00 O ATOM 1132 CB GLU A 69 8.241 11.369 0.539 1.00 0.00 C ATOM 1133 CG GLU A 69 8.577 11.619 -0.941 1.00 0.00 C ATOM 1134 CD GLU A 69 9.730 12.607 -1.090 1.00 0.00 C ATOM 1135 OE1 GLU A 69 10.803 12.317 -0.516 1.00 0.00 O ATOM 1136 OE2 GLU A 69 9.521 13.631 -1.775 1.00 0.00 O ATOM 0 H GLU A 69 7.298 9.608 -0.958 1.00 0.00 H new ATOM 0 HA GLU A 69 6.839 10.368 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.260 12.321 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.020 10.744 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.839 10.676 -1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.697 12.004 -1.456 1.00 0.00 H new ATOM 1143 N PHE A 70 4.497 11.284 1.001 1.00 0.00 N ATOM 1144 CA PHE A 70 3.298 12.048 0.678 1.00 0.00 C ATOM 1145 C PHE A 70 3.170 13.358 1.445 1.00 0.00 C ATOM 1146 O PHE A 70 3.569 13.476 2.596 1.00 0.00 O ATOM 1147 CB PHE A 70 2.010 11.242 0.828 1.00 0.00 C ATOM 1148 CG PHE A 70 1.441 11.009 2.214 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.271 10.851 3.340 1.00 0.00 C ATOM 1150 CD2 PHE A 70 0.083 10.670 2.320 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.769 10.278 4.518 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.335 9.876 3.392 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.494 9.701 4.508 1.00 0.00 C ATOM 0 H PHE A 70 4.330 10.451 1.566 1.00 0.00 H new ATOM 0 HA PHE A 70 3.433 12.294 -0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.241 11.739 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.179 10.265 0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.301 11.173 3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.628 11.017 1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.360 10.282 5.422 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.302 9.395 3.360 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.151 9.125 5.355 1.00 0.00 H new ATOM 1163 N THR A 71 2.572 14.334 0.773 1.00 0.00 N ATOM 1164 CA THR A 71 2.416 15.690 1.263 1.00 0.00 C ATOM 1165 C THR A 71 0.926 16.032 1.183 1.00 0.00 C ATOM 1166 O THR A 71 0.466 16.437 0.118 1.00 0.00 O ATOM 1167 CB THR A 71 3.297 16.609 0.401 1.00 0.00 C ATOM 1168 OG1 THR A 71 4.639 16.164 0.462 1.00 0.00 O ATOM 1169 CG2 THR A 71 3.241 18.057 0.895 1.00 0.00 C ATOM 0 H THR A 71 2.172 14.196 -0.155 1.00 0.00 H new ATOM 0 HA THR A 71 2.735 15.814 2.298 1.00 0.00 H new ATOM 0 HB THR A 71 2.923 16.572 -0.622 1.00 0.00 H new ATOM 0 HG1 THR A 71 5.202 16.747 -0.088 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.874 18.681 0.265 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.214 18.418 0.848 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.595 18.104 1.925 1.00 0.00 H new ATOM 1177 N PRO A 72 0.153 15.826 2.262 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.291 15.990 2.243 1.00 0.00 C ATOM 1179 C PRO A 72 -1.657 17.476 2.198 1.00 0.00 C ATOM 1180 O PRO A 72 -1.736 18.126 3.238 1.00 0.00 O ATOM 1181 CB PRO A 72 -1.795 15.299 3.514 1.00 0.00 C ATOM 1182 CG PRO A 72 -0.614 15.414 4.475 1.00 0.00 C ATOM 1183 CD PRO A 72 0.595 15.311 3.547 1.00 0.00 C ATOM 0 HA PRO A 72 -1.753 15.548 1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.684 15.788 3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.060 14.258 3.327 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.626 16.359 5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.620 14.618 5.220 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.434 15.890 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.934 14.279 3.459 1.00 0.00 H new ATOM 1191 N THR A 73 -1.888 18.013 0.994 1.00 0.00 N ATOM 1192 CA THR A 73 -2.324 19.387 0.798 1.00 0.00 C ATOM 1193 C THR A 73 -3.842 19.469 0.982 1.00 0.00 C ATOM 1194 O THR A 73 -4.591 18.780 0.292 1.00 0.00 O ATOM 1195 CB THR A 73 -1.886 19.932 -0.574 1.00 0.00 C ATOM 1196 OG1 THR A 73 -2.525 19.271 -1.646 1.00 0.00 O ATOM 1197 CG2 THR A 73 -0.369 19.849 -0.771 1.00 0.00 C ATOM 0 H THR A 73 -1.774 17.494 0.123 1.00 0.00 H new ATOM 0 HA THR A 73 -1.845 20.019 1.546 1.00 0.00 H new ATOM 0 HB THR A 73 -2.189 20.979 -0.578 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.458 18.302 -1.519 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.107 20.245 -1.752 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.131 20.434 0.001 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.049 18.809 -0.702 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.285 20.317 1.918 1.00 0.00 N ATOM 1206 CA GLU A 74 -5.682 20.642 2.170 1.00 0.00 C ATOM 1207 C GLU A 74 -6.523 19.389 2.463 1.00 0.00 C ATOM 1208 O GLU A 74 -6.503 18.898 3.591 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.215 21.523 1.027 1.00 0.00 C ATOM 1210 CG GLU A 74 -7.595 22.113 1.337 1.00 0.00 C ATOM 1211 CD GLU A 74 -8.089 22.948 0.162 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -7.771 24.157 0.149 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -8.762 22.356 -0.710 1.00 0.00 O ATOM 0 H GLU A 74 -3.649 20.812 2.543 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.765 21.229 3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.511 22.333 0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.273 20.932 0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.303 21.311 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.541 22.731 2.234 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.263 18.885 1.465 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.182 17.759 1.590 1.00 0.00 C ATOM 1222 C LYS A 75 -7.645 16.507 0.885 1.00 0.00 C ATOM 1223 O LYS A 75 -8.435 15.652 0.486 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.554 18.164 1.022 1.00 0.00 C ATOM 1225 CG LYS A 75 -9.474 18.567 -0.463 1.00 0.00 C ATOM 1226 CD LYS A 75 -10.703 18.133 -1.277 1.00 0.00 C ATOM 1227 CE LYS A 75 -10.703 16.620 -1.544 1.00 0.00 C ATOM 1228 NZ LYS A 75 -11.788 16.218 -2.455 1.00 0.00 N ATOM 0 H LYS A 75 -7.233 19.267 0.520 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.284 17.506 2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.251 17.334 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.954 18.996 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.364 19.649 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.580 18.126 -0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.611 18.408 -0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.719 18.670 -2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.744 16.328 -1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.807 16.086 -0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.730 15.195 -2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.706 16.442 -2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.695 16.733 -3.354 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.321 16.404 0.703 1.00 0.00 N ATOM 1243 CA ASP A 76 -5.693 15.324 -0.048 1.00 0.00 C ATOM 1244 C ASP A 76 -6.101 13.951 0.499 1.00 0.00 C ATOM 1245 O ASP A 76 -5.737 13.579 1.613 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.163 15.500 -0.041 1.00 0.00 C ATOM 1247 CG ASP A 76 -3.566 15.979 -1.368 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -4.169 15.710 -2.429 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -2.455 16.549 -1.306 1.00 0.00 O ATOM 0 H ASP A 76 -5.655 17.078 1.080 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.042 15.371 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.897 16.213 0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.703 14.549 0.226 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.874 13.215 -0.309 1.00 0.00 N ATOM 1255 CA GLU A 77 -7.508 11.955 0.009 1.00 0.00 C ATOM 1256 C GLU A 77 -6.697 10.815 -0.613 1.00 0.00 C ATOM 1257 O GLU A 77 -7.136 10.155 -1.553 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.964 12.018 -0.484 1.00 0.00 C ATOM 1259 CG GLU A 77 -9.139 12.509 -1.931 1.00 0.00 C ATOM 1260 CD GLU A 77 -10.593 12.417 -2.379 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -11.047 11.275 -2.606 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -11.224 13.491 -2.491 1.00 0.00 O ATOM 0 H GLU A 77 -7.079 13.514 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.533 11.765 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.404 11.025 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.528 12.676 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.797 13.541 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.514 11.914 -2.597 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.492 10.589 -0.077 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.582 9.571 -0.571 1.00 0.00 C ATOM 1271 C TYR A 78 -5.187 8.188 -0.378 1.00 0.00 C ATOM 1272 O TYR A 78 -5.874 7.932 0.610 1.00 0.00 O ATOM 1273 CB TYR A 78 -3.213 9.673 0.107 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.265 10.645 -0.559 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.622 11.996 -0.706 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -1.021 10.198 -1.036 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -1.758 12.887 -1.363 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.127 11.111 -1.611 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.505 12.448 -1.815 1.00 0.00 C ATOM 1280 OH TYR A 78 0.332 13.310 -2.462 1.00 0.00 O ATOM 0 H TYR A 78 -5.127 11.115 0.717 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.429 9.736 -1.638 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.355 9.974 1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.752 8.685 0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.563 12.350 -0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.755 9.154 -0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.059 13.912 -1.521 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.861 10.784 -1.900 1.00 0.00 H new ATOM 0 HH TYR A 78 1.158 12.843 -2.706 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.926 7.303 -1.342 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.391 5.932 -1.315 1.00 0.00 C ATOM 1292 C ALA A 79 -4.364 5.026 -1.973 1.00 0.00 C ATOM 1293 O ALA A 79 -3.422 5.495 -2.613 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.747 5.829 -2.020 1.00 0.00 C ATOM 0 H ALA A 79 -4.377 7.531 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.518 5.611 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.092 4.795 -1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.471 6.465 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.644 6.154 -3.055 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.565 3.719 -1.797 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.716 2.680 -2.346 1.00 0.00 C ATOM 1302 C CYS A 80 -4.578 1.649 -3.046 1.00 0.00 C ATOM 1303 O CYS A 80 -5.507 1.107 -2.449 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.876 2.035 -1.236 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.198 2.688 -1.223 1.00 0.00 S ATOM 0 H CYS A 80 -5.346 3.352 -1.253 1.00 0.00 H new ATOM 0 HA CYS A 80 -3.028 3.115 -3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.346 2.216 -0.269 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.847 0.955 -1.380 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.224 1.350 -4.299 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.726 0.168 -4.972 1.00 0.00 C ATOM 1312 C ARG A 81 -4.234 -1.054 -4.201 1.00 0.00 C ATOM 1313 O ARG A 81 -3.093 -1.070 -3.748 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.237 0.150 -6.424 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.656 -1.143 -7.133 1.00 0.00 C ATOM 1316 CD ARG A 81 -4.198 -1.150 -8.593 1.00 0.00 C ATOM 1317 NE ARG A 81 -4.961 -0.183 -9.393 1.00 0.00 N ATOM 1318 CZ ARG A 81 -4.584 0.328 -10.578 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -3.364 0.100 -11.084 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -5.447 1.084 -11.269 1.00 0.00 N ATOM 0 H ARG A 81 -3.590 1.917 -4.862 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.816 0.165 -4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.643 1.009 -6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.151 0.245 -6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.230 -2.000 -6.612 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.740 -1.250 -7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.136 -0.911 -8.645 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.321 -2.149 -9.011 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.856 0.128 -9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.697 -0.473 -10.568 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.103 0.500 -11.985 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.378 1.266 -10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.173 1.477 -12.169 1.00 0.00 H new ATOM 1334 N VAL A 82 -5.086 -2.070 -4.042 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.692 -3.351 -3.497 1.00 0.00 C ATOM 1336 C VAL A 82 -5.203 -4.410 -4.469 1.00 0.00 C ATOM 1337 O VAL A 82 -6.407 -4.658 -4.523 1.00 0.00 O ATOM 1338 CB VAL A 82 -5.281 -3.517 -2.089 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -4.747 -4.813 -1.477 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -4.950 -2.321 -1.183 1.00 0.00 C ATOM 0 H VAL A 82 -6.073 -2.016 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.611 -3.442 -3.391 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.367 -3.562 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.160 -4.940 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.040 -5.658 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.660 -4.766 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.386 -2.480 -0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.868 -2.223 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.361 -1.410 -1.619 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.297 -5.007 -5.254 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.657 -6.009 -6.244 1.00 0.00 C ATOM 1352 C ASN A 83 -3.548 -7.057 -6.348 1.00 0.00 C ATOM 1353 O ASN A 83 -2.656 -6.932 -7.183 1.00 0.00 O ATOM 1354 CB ASN A 83 -4.920 -5.326 -7.593 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.683 -6.241 -8.553 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -6.694 -6.834 -8.182 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -5.219 -6.350 -9.797 1.00 0.00 N ATOM 0 H ASN A 83 -3.298 -4.804 -5.215 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.570 -6.521 -5.941 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.490 -4.411 -7.432 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.971 -5.035 -8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.706 -6.939 -10.473 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.377 -5.845 -10.073 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.605 -8.104 -5.515 1.00 0.00 N ATOM 1365 CA HIS A 84 -2.796 -9.299 -5.727 1.00 0.00 C ATOM 1366 C HIS A 84 -3.467 -10.065 -6.875 1.00 0.00 C ATOM 1367 O HIS A 84 -4.660 -9.877 -7.116 1.00 0.00 O ATOM 1368 CB HIS A 84 -2.764 -10.134 -4.446 1.00 0.00 C ATOM 1369 CG HIS A 84 -1.985 -11.412 -4.596 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -2.645 -12.627 -4.720 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -0.635 -11.633 -4.684 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -1.680 -13.535 -4.834 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.452 -12.991 -4.830 1.00 0.00 N ATOM 0 H HIS A 84 -4.204 -8.143 -4.690 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.763 -9.059 -5.977 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.327 -9.541 -3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -3.785 -10.371 -4.148 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.141 -10.883 -4.646 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.864 -14.596 -4.920 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.437 -13.484 -4.917 1.00 0.00 H new ATOM 1381 N VAL A 85 -2.733 -10.928 -7.584 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.285 -11.676 -8.712 1.00 0.00 C ATOM 1383 C VAL A 85 -4.560 -12.447 -8.344 1.00 0.00 C ATOM 1384 O VAL A 85 -5.456 -12.577 -9.176 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.212 -12.575 -9.353 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -1.681 -13.667 -8.415 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.730 -13.217 -10.647 1.00 0.00 C ATOM 0 H VAL A 85 -1.750 -11.125 -7.393 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.593 -10.950 -9.464 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.376 -11.912 -9.577 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.929 -14.260 -8.936 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.233 -13.205 -7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.503 -14.313 -8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.951 -13.846 -11.078 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.607 -13.825 -10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.000 -12.436 -11.358 1.00 0.00 H new ATOM 1397 N THR A 86 -4.660 -12.938 -7.102 1.00 0.00 N ATOM 1398 CA THR A 86 -5.809 -13.715 -6.655 1.00 0.00 C ATOM 1399 C THR A 86 -7.067 -12.856 -6.455 1.00 0.00 C ATOM 1400 O THR A 86 -8.172 -13.391 -6.527 1.00 0.00 O ATOM 1401 CB THR A 86 -5.432 -14.563 -5.435 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.298 -15.672 -5.318 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.474 -13.769 -4.132 1.00 0.00 C ATOM 0 H THR A 86 -3.946 -12.805 -6.386 1.00 0.00 H new ATOM 0 HA THR A 86 -6.086 -14.407 -7.450 1.00 0.00 H new ATOM 0 HB THR A 86 -4.407 -14.896 -5.598 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.193 -15.423 -5.631 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.198 -14.418 -3.301 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.772 -12.937 -4.190 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.481 -13.384 -3.973 1.00 0.00 H new ATOM 1411 N LEU A 87 -6.927 -11.538 -6.237 1.00 0.00 N ATOM 1412 CA LEU A 87 -8.077 -10.641 -6.215 1.00 0.00 C ATOM 1413 C LEU A 87 -8.609 -10.477 -7.636 1.00 0.00 C ATOM 1414 O LEU A 87 -7.856 -10.150 -8.552 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.709 -9.261 -5.652 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.774 -9.171 -4.122 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -6.945 -10.251 -3.426 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.290 -7.785 -3.687 1.00 0.00 C ATOM 0 H LEU A 87 -6.031 -11.079 -6.075 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.837 -11.079 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.701 -9.005 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.381 -8.516 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.810 -9.332 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.031 -10.136 -2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.313 -11.235 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.900 -10.153 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.332 -7.709 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.263 -7.636 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.930 -7.021 -4.129 1.00 0.00 H new ATOM 1430 N SER A 88 -9.921 -10.672 -7.799 1.00 0.00 N ATOM 1431 CA SER A 88 -10.621 -10.416 -9.048 1.00 0.00 C ATOM 1432 C SER A 88 -10.715 -8.911 -9.326 1.00 0.00 C ATOM 1433 O SER A 88 -10.787 -8.514 -10.487 1.00 0.00 O ATOM 1434 CB SER A 88 -12.012 -11.054 -8.976 1.00 0.00 C ATOM 1435 OG SER A 88 -12.695 -10.906 -10.204 1.00 0.00 O ATOM 0 H SER A 88 -10.528 -11.016 -7.055 1.00 0.00 H new ATOM 0 HA SER A 88 -10.065 -10.860 -9.874 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.920 -12.112 -8.731 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.589 -10.591 -8.176 1.00 0.00 H new ATOM 0 HG SER A 88 -13.580 -11.321 -10.138 1.00 0.00 H new ATOM 1441 N GLN A 89 -10.737 -8.084 -8.269 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.992 -6.656 -8.339 1.00 0.00 C ATOM 1443 C GLN A 89 -9.899 -5.912 -7.559 1.00 0.00 C ATOM 1444 O GLN A 89 -9.573 -6.316 -6.443 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.412 -6.385 -7.802 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.501 -5.215 -6.812 1.00 0.00 C ATOM 1447 CD GLN A 89 -13.934 -4.896 -6.391 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -14.889 -5.505 -6.866 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -14.084 -3.931 -5.482 1.00 0.00 N ATOM 0 H GLN A 89 -10.571 -8.411 -7.317 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.954 -6.290 -9.365 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.074 -6.184 -8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.782 -7.287 -7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.912 -5.451 -5.926 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.055 -4.329 -7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.266 -3.448 -5.111 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.017 -3.676 -5.158 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.358 -4.807 -8.100 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.432 -3.944 -7.388 1.00 0.00 C ATOM 1460 C PRO A 90 -9.217 -3.107 -6.371 1.00 0.00 C ATOM 1461 O PRO A 90 -9.892 -2.151 -6.750 1.00 0.00 O ATOM 1462 CB PRO A 90 -7.800 -3.071 -8.480 1.00 0.00 C ATOM 1463 CG PRO A 90 -8.888 -2.963 -9.546 1.00 0.00 C ATOM 1464 CD PRO A 90 -9.607 -4.306 -9.445 1.00 0.00 C ATOM 0 HA PRO A 90 -7.667 -4.484 -6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.521 -2.090 -8.095 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.894 -3.526 -8.880 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.562 -2.129 -9.351 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.466 -2.806 -10.538 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.676 -4.188 -9.624 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.233 -5.004 -10.194 1.00 0.00 H new ATOM 1472 N LYS A 91 -9.144 -3.462 -5.082 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.857 -2.737 -4.036 1.00 0.00 C ATOM 1474 C LYS A 91 -9.001 -1.546 -3.600 1.00 0.00 C ATOM 1475 O LYS A 91 -7.861 -1.728 -3.176 1.00 0.00 O ATOM 1476 CB LYS A 91 -10.273 -3.674 -2.887 1.00 0.00 C ATOM 1477 CG LYS A 91 -9.111 -4.251 -2.069 1.00 0.00 C ATOM 1478 CD LYS A 91 -9.615 -5.314 -1.086 1.00 0.00 C ATOM 1479 CE LYS A 91 -8.480 -5.874 -0.217 1.00 0.00 C ATOM 1480 NZ LYS A 91 -7.923 -4.864 0.700 1.00 0.00 N ATOM 0 H LYS A 91 -8.594 -4.251 -4.743 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.799 -2.341 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.935 -3.128 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.851 -4.500 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.371 -4.689 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.612 -3.451 -1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.383 -4.881 -0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.084 -6.128 -1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.852 -6.720 0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.686 -6.253 -0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.258 -5.320 1.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.423 -4.135 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.694 -4.423 1.240 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.523 -0.323 -3.765 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.765 0.896 -3.539 1.00 0.00 C ATOM 1496 C ILE A 92 -9.030 1.382 -2.110 1.00 0.00 C ATOM 1497 O ILE A 92 -10.097 1.928 -1.830 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.126 1.967 -4.586 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.301 1.430 -6.020 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.049 3.057 -4.549 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.089 0.673 -6.570 1.00 0.00 C ATOM 0 H ILE A 92 -10.486 -0.160 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.699 0.697 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.105 2.362 -4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.167 0.768 -6.043 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.522 2.267 -6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.285 3.827 -5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.016 3.502 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.079 2.618 -4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.302 0.332 -7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.223 1.334 -6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.878 -0.187 -5.935 1.00 0.00 H new ATOM 1513 N VAL A 93 -8.072 1.166 -1.202 1.00 0.00 N ATOM 1514 CA VAL A 93 -8.212 1.500 0.209 1.00 0.00 C ATOM 1515 C VAL A 93 -7.702 2.922 0.453 1.00 0.00 C ATOM 1516 O VAL A 93 -6.509 3.183 0.306 1.00 0.00 O ATOM 1517 CB VAL A 93 -7.463 0.469 1.072 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -7.602 0.822 2.560 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -8.023 -0.941 0.833 1.00 0.00 C ATOM 0 H VAL A 93 -7.170 0.750 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.263 1.465 0.494 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.410 0.489 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.068 0.085 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.181 1.811 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.656 0.821 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.482 -1.657 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.081 -0.962 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.905 -1.206 -0.218 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.605 3.828 0.852 1.00 0.00 N ATOM 1530 CA LYS A 94 -8.264 5.189 1.249 1.00 0.00 C ATOM 1531 C LYS A 94 -7.532 5.180 2.596 1.00 0.00 C ATOM 1532 O LYS A 94 -7.912 4.447 3.507 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.531 6.057 1.308 1.00 0.00 C ATOM 1534 CG LYS A 94 -10.083 6.335 -0.101 1.00 0.00 C ATOM 1535 CD LYS A 94 -11.329 7.233 -0.121 1.00 0.00 C ATOM 1536 CE LYS A 94 -12.657 6.473 -0.002 1.00 0.00 C ATOM 1537 NZ LYS A 94 -12.830 5.825 1.308 1.00 0.00 N ATOM 0 H LYS A 94 -9.604 3.628 0.907 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.594 5.621 0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.291 5.555 1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.306 7.000 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.302 6.803 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.325 5.386 -0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.259 7.950 0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.334 7.807 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.482 7.165 -0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.709 5.717 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.838 5.625 1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.293 4.934 1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.481 6.457 2.057 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.480 6.000 2.707 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.674 6.160 3.910 1.00 0.00 C ATOM 1553 C TRP A 95 -6.466 6.907 4.983 1.00 0.00 C ATOM 1554 O TRP A 95 -6.913 8.029 4.747 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.398 6.937 3.557 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.632 7.530 4.702 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -3.092 6.853 5.741 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.287 8.931 4.919 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.457 7.737 6.595 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.554 9.037 6.135 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.444 10.112 4.159 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.044 10.265 6.594 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.793 11.303 4.530 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.125 11.393 5.761 1.00 0.00 C ATOM 0 H TRP A 95 -6.161 6.586 1.935 1.00 0.00 H new ATOM 0 HA TRP A 95 -5.408 5.179 4.302 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.732 6.268 3.012 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.668 7.743 2.875 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.148 5.784 5.883 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.979 7.465 7.454 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -4.073 10.100 3.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.596 10.339 7.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.807 12.153 3.864 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -1.675 12.326 6.067 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.583 6.302 6.172 1.00 0.00 N ATOM 1576 CA ASP A 96 -7.047 6.970 7.379 1.00 0.00 C ATOM 1577 C ASP A 96 -5.826 7.440 8.170 1.00 0.00 C ATOM 1578 O ASP A 96 -4.807 6.753 8.207 1.00 0.00 O ATOM 1579 CB ASP A 96 -7.902 6.018 8.218 1.00 0.00 C ATOM 1580 CG ASP A 96 -8.527 6.747 9.405 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -7.840 6.837 10.446 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -9.672 7.221 9.242 1.00 0.00 O ATOM 0 H ASP A 96 -6.352 5.319 6.317 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.666 7.828 7.117 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.687 5.586 7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.288 5.192 8.576 1.00 0.00 H new ATOM 1587 N ARG A 97 -5.936 8.612 8.801 1.00 0.00 N ATOM 1588 CA ARG A 97 -4.841 9.255 9.517 1.00 0.00 C ATOM 1589 C ARG A 97 -4.328 8.430 10.701 1.00 0.00 C ATOM 1590 O ARG A 97 -3.175 8.604 11.091 1.00 0.00 O ATOM 1591 CB ARG A 97 -5.276 10.641 10.005 1.00 0.00 C ATOM 1592 CG ARG A 97 -5.640 11.578 8.846 1.00 0.00 C ATOM 1593 CD ARG A 97 -6.105 12.937 9.378 1.00 0.00 C ATOM 1594 NE ARG A 97 -5.028 13.630 10.098 1.00 0.00 N ATOM 1595 CZ ARG A 97 -5.188 14.711 10.881 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -6.402 15.252 11.061 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -4.123 15.254 11.485 1.00 0.00 N ATOM 0 H ARG A 97 -6.805 9.146 8.827 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.016 9.344 8.810 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.134 10.537 10.669 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.472 11.086 10.591 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.776 11.712 8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.428 11.129 8.242 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.447 13.556 8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.957 12.796 10.043 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.083 13.261 9.995 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.216 14.843 10.602 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.511 16.072 11.657 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.197 14.847 11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.237 16.074 12.080 1.00 0.00 H new ATOM 1611 N ASP A 98 -5.180 7.573 11.281 1.00 0.00 N ATOM 1612 CA ASP A 98 -4.909 6.791 12.478 1.00 0.00 C ATOM 1613 C ASP A 98 -4.496 7.714 13.630 1.00 0.00 C ATOM 1614 O ASP A 98 -3.339 7.730 14.048 1.00 0.00 O ATOM 1615 CB ASP A 98 -3.894 5.685 12.155 1.00 0.00 C ATOM 1616 CG ASP A 98 -3.573 4.801 13.357 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -4.531 4.438 14.076 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -2.375 4.487 13.529 1.00 0.00 O ATOM 0 H ASP A 98 -6.114 7.405 10.907 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.811 6.283 12.819 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.285 5.065 11.349 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.973 6.140 11.789 1.00 0.00 H new ATOM 1623 N MET A 99 -5.463 8.506 14.111 1.00 0.00 N ATOM 1624 CA MET A 99 -5.306 9.482 15.183 1.00 0.00 C ATOM 1625 C MET A 99 -6.499 9.375 16.134 1.00 0.00 C ATOM 1626 O MET A 99 -7.628 9.216 15.620 1.00 0.00 O ATOM 1627 CB MET A 99 -5.233 10.901 14.599 1.00 0.00 C ATOM 1628 CG MET A 99 -4.007 11.124 13.709 1.00 0.00 C ATOM 1629 SD MET A 99 -2.410 10.991 14.557 1.00 0.00 S ATOM 1630 CE MET A 99 -1.314 11.086 13.122 1.00 0.00 C ATOM 1631 OXT MET A 99 -6.263 9.475 17.359 1.00 0.00 O ATOM 0 H MET A 99 -6.414 8.478 13.744 1.00 0.00 H new ATOM 0 HA MET A 99 -4.383 9.279 15.725 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.135 11.095 14.019 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.217 11.623 15.416 1.00 0.00 H new ATOM 0 HG2 MET A 99 -4.031 10.399 12.895 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.080 12.113 13.257 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.277 11.020 13.451 1.00 0.00 H new ATOM 0 HE2 MET A 99 -1.532 10.262 12.442 1.00 0.00 H new ATOM 0 HE3 MET A 99 -1.471 12.033 12.606 1.00 0.00 H new TER 1641 MET A 99