USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 791 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 84 HIS : no HD1:sc= -0.84 K(o=-0.99,f=-3.6!) USER MOD Set 1.2: A 86 THR OG1 : rot -91:sc= -0.146 USER MOD Set 2.1: A 51 HIS :FLIP no HD1:sc= 0.00184 F(o=0.71,f=1.3) USER MOD Set 2.2: A 66 TYR OH : rot -131:sc= 1.3 USER MOD Set 3.1: A 20 SER OG : rot -44:sc= 0.65 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.581 USER MOD Set 4.1: A 2 GLN : amide:sc= -1.64 K(o=-1.8,f=-4.8!) USER MOD Set 4.2: A 31 HIS : no HD1:sc= -0.196 K(o=-1.8,f=-5.9!) USER MOD Single : A 1 ILE N :NH3+ 162:sc= -0.395 (180deg=-0.935) USER MOD Single : A 4 THR OG1 : rot 22:sc= 0.527 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc=-0.00057 (180deg=-0.124) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 61:sc= 0.278 USER MOD Single : A 11 SER OG : rot -116:sc= 1.24 USER MOD Single : A 13 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.016) USER MOD Single : A 17 ASN : amide:sc= -4.11! C(o=-4.1!,f=-7.1!) USER MOD Single : A 19 LYS NZ :NH3+ 135:sc= -0.0627 (180deg=-0.365) USER MOD Single : A 21 ASN : amide:sc= -0.576 K(o=-0.58,f=-9.1!) USER MOD Single : A 24 ASN : amide:sc= -0.0572 K(o=-0.057,f=-1.7!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 45:sc= 1.21 USER MOD Single : A 33 SER OG : rot -89:sc= -0.182 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.454 USER MOD Single : A 55 SER OG : rot 91:sc= 0.946 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.0923 (180deg=-0.402) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -141:sc= -3.44! USER MOD Single : A 67 TYR OH : rot 30:sc= 0 USER MOD Single : A 68 THR OG1 : rot 160:sc= 0 USER MOD Single : A 73 THR OG1 : rot 149:sc= -0.603 USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.03) USER MOD Single : A 78 TYR OH : rot 130:sc= -0.0209 USER MOD Single : A 83 ASN : amide:sc= -0.385 K(o=-0.39,f=-3.1!) USER MOD Single : A 88 SER OG : rot 180:sc=-0.00777 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= -1.76 (180deg=-2.42!) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -22.334 -8.776 -4.354 1.00 0.00 N ATOM 2 CA ILE A 1 -22.734 -7.851 -3.267 1.00 0.00 C ATOM 3 C ILE A 1 -21.524 -7.158 -2.655 1.00 0.00 C ATOM 4 O ILE A 1 -21.603 -6.618 -1.551 1.00 0.00 O ATOM 5 CB ILE A 1 -23.539 -8.577 -2.158 1.00 0.00 C ATOM 6 CG1 ILE A 1 -22.921 -9.938 -1.792 1.00 0.00 C ATOM 7 CG2 ILE A 1 -24.987 -8.750 -2.583 1.00 0.00 C ATOM 8 CD1 ILE A 1 -21.670 -9.853 -0.941 1.00 0.00 C ATOM 0 H1 ILE A 1 -23.107 -9.445 -4.542 1.00 0.00 H new ATOM 0 H2 ILE A 1 -22.130 -8.231 -5.216 1.00 0.00 H new ATOM 0 H3 ILE A 1 -21.483 -9.301 -4.067 1.00 0.00 H new ATOM 0 HA ILE A 1 -23.379 -7.098 -3.720 1.00 0.00 H new ATOM 0 HB ILE A 1 -23.501 -7.952 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -23.666 -10.530 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -22.684 -10.474 -2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -25.539 -9.261 -1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -25.433 -7.772 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -25.030 -9.342 -3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -21.303 -10.858 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -20.904 -9.291 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -21.902 -9.348 -0.003 1.00 0.00 H new ATOM 19 N GLN A 2 -20.413 -7.160 -3.386 1.00 0.00 N ATOM 20 CA GLN A 2 -19.170 -6.580 -2.895 1.00 0.00 C ATOM 21 C GLN A 2 -18.246 -6.298 -4.089 1.00 0.00 C ATOM 22 O GLN A 2 -18.331 -6.985 -5.107 1.00 0.00 O ATOM 23 CB GLN A 2 -18.490 -7.542 -1.905 1.00 0.00 C ATOM 24 CG GLN A 2 -17.620 -6.860 -0.857 1.00 0.00 C ATOM 25 CD GLN A 2 -18.426 -6.124 0.199 1.00 0.00 C ATOM 26 OE1 GLN A 2 -19.503 -5.602 -0.067 1.00 0.00 O ATOM 27 NE2 GLN A 2 -17.911 -6.094 1.417 1.00 0.00 N ATOM 0 H GLN A 2 -20.350 -7.558 -4.323 1.00 0.00 H new ATOM 0 HA GLN A 2 -19.381 -5.647 -2.372 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -19.259 -8.124 -1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.876 -8.246 -2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.993 -7.608 -0.371 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.951 -6.156 -1.351 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.012 -6.539 1.602 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.413 -5.626 2.171 1.00 0.00 H new ATOM 36 N ARG A 3 -17.361 -5.312 -3.968 1.00 0.00 N ATOM 37 CA ARG A 3 -16.549 -4.868 -5.098 1.00 0.00 C ATOM 38 C ARG A 3 -15.065 -5.028 -4.780 1.00 0.00 C ATOM 39 O ARG A 3 -14.647 -4.825 -3.640 1.00 0.00 O ATOM 40 CB ARG A 3 -16.903 -3.407 -5.405 1.00 0.00 C ATOM 41 CG ARG A 3 -16.018 -2.692 -6.440 1.00 0.00 C ATOM 42 CD ARG A 3 -16.670 -1.390 -6.889 1.00 0.00 C ATOM 43 NE ARG A 3 -17.228 -0.658 -5.748 1.00 0.00 N ATOM 44 CZ ARG A 3 -18.030 0.400 -5.850 1.00 0.00 C ATOM 45 NH1 ARG A 3 -18.276 0.946 -7.032 1.00 0.00 N ATOM 46 NH2 ARG A 3 -18.567 0.927 -4.756 1.00 0.00 N ATOM 0 H ARG A 3 -17.188 -4.806 -3.100 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.758 -5.479 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.935 -3.372 -5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.863 -2.843 -4.473 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.038 -2.486 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.857 -3.341 -7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.934 -0.768 -7.399 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -17.460 -1.605 -7.609 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.985 -0.981 -4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.850 0.556 -7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.892 1.756 -7.101 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -18.365 0.521 -3.842 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -19.182 1.737 -4.829 1.00 0.00 H new ATOM 60 N THR A 4 -14.281 -5.396 -5.789 1.00 0.00 N ATOM 61 CA THR A 4 -12.877 -5.735 -5.587 1.00 0.00 C ATOM 62 C THR A 4 -12.013 -4.490 -5.365 1.00 0.00 C ATOM 63 O THR A 4 -11.953 -3.610 -6.227 1.00 0.00 O ATOM 64 CB THR A 4 -12.310 -6.532 -6.786 1.00 0.00 C ATOM 65 OG1 THR A 4 -12.293 -5.709 -7.962 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.134 -7.778 -7.068 1.00 0.00 C ATOM 0 H THR A 4 -14.596 -5.467 -6.757 1.00 0.00 H new ATOM 0 HA THR A 4 -12.839 -6.354 -4.690 1.00 0.00 H new ATOM 0 HB THR A 4 -11.296 -6.836 -6.526 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.304 -4.765 -7.701 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.707 -8.313 -7.916 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.127 -8.425 -6.191 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.160 -7.491 -7.300 1.00 0.00 H new ATOM 74 N PRO A 5 -11.345 -4.391 -4.203 1.00 0.00 N ATOM 75 CA PRO A 5 -10.375 -3.336 -3.942 1.00 0.00 C ATOM 76 C PRO A 5 -9.073 -3.590 -4.701 1.00 0.00 C ATOM 77 O PRO A 5 -8.504 -4.680 -4.628 1.00 0.00 O ATOM 78 CB PRO A 5 -10.137 -3.398 -2.423 1.00 0.00 C ATOM 79 CG PRO A 5 -11.086 -4.430 -1.887 1.00 0.00 C ATOM 80 CD PRO A 5 -11.483 -5.292 -3.057 1.00 0.00 C ATOM 0 HA PRO A 5 -10.732 -2.359 -4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.104 -3.668 -2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.318 -2.427 -1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.611 -5.027 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.960 -3.958 -1.438 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.836 -6.164 -3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.504 -5.661 -2.956 1.00 0.00 H new ATOM 88 N LYS A 6 -8.611 -2.589 -5.434 1.00 0.00 N ATOM 89 CA LYS A 6 -7.438 -2.747 -6.285 1.00 0.00 C ATOM 90 C LYS A 6 -6.189 -2.185 -5.609 1.00 0.00 C ATOM 91 O LYS A 6 -6.273 -1.252 -4.810 1.00 0.00 O ATOM 92 CB LYS A 6 -7.680 -2.037 -7.623 1.00 0.00 C ATOM 93 CG LYS A 6 -6.573 -2.238 -8.644 1.00 0.00 C ATOM 94 CD LYS A 6 -6.792 -1.377 -9.877 1.00 0.00 C ATOM 95 CE LYS A 6 -5.744 -1.653 -10.940 1.00 0.00 C ATOM 96 NZ LYS A 6 -5.904 -3.003 -11.539 1.00 0.00 N ATOM 0 H LYS A 6 -9.029 -1.659 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.274 -3.810 -6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.619 -2.394 -8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.799 -0.969 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.611 -1.993 -8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.530 -3.288 -8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.785 -1.569 -10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.760 -0.324 -9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.814 -0.898 -11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.750 -1.566 -10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.323 -3.072 -12.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.598 -3.725 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.903 -3.158 -11.783 1.00 0.00 H new ATOM 110 N ILE A 7 -5.036 -2.755 -5.948 1.00 0.00 N ATOM 111 CA ILE A 7 -3.767 -2.365 -5.335 1.00 0.00 C ATOM 112 C ILE A 7 -3.029 -1.358 -6.211 1.00 0.00 C ATOM 113 O ILE A 7 -2.745 -1.621 -7.385 1.00 0.00 O ATOM 114 CB ILE A 7 -2.822 -3.582 -5.084 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.296 -4.480 -3.934 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.416 -3.098 -4.777 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.749 -4.872 -3.989 1.00 0.00 C ATOM 0 H ILE A 7 -4.953 -3.493 -6.648 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.023 -1.919 -4.374 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.836 -4.175 -5.998 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.691 -5.387 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.109 -3.966 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.766 -3.955 -4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.038 -2.520 -5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.434 -2.470 -3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.987 -5.506 -3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.369 -3.976 -3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.944 -5.419 -4.912 1.00 0.00 H new ATOM 129 N GLN A 8 -2.736 -0.204 -5.632 1.00 0.00 N ATOM 130 CA GLN A 8 -1.879 0.785 -6.265 1.00 0.00 C ATOM 131 C GLN A 8 -0.803 1.229 -5.276 1.00 0.00 C ATOM 132 O GLN A 8 -1.112 1.756 -4.210 1.00 0.00 O ATOM 133 CB GLN A 8 -2.701 1.985 -6.740 1.00 0.00 C ATOM 134 CG GLN A 8 -3.440 1.745 -8.045 1.00 0.00 C ATOM 135 CD GLN A 8 -4.181 2.977 -8.525 1.00 0.00 C ATOM 136 OE1 GLN A 8 -3.630 3.804 -9.251 1.00 0.00 O ATOM 137 NE2 GLN A 8 -5.432 3.111 -8.121 1.00 0.00 N ATOM 0 H GLN A 8 -3.084 0.072 -4.714 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.402 0.339 -7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.424 2.247 -5.967 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.039 2.842 -6.861 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.729 1.431 -8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.148 0.927 -7.913 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.852 2.403 -7.519 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.977 3.923 -8.411 1.00 0.00 H new ATOM 146 N VAL A 9 0.457 1.001 -5.625 1.00 0.00 N ATOM 147 CA VAL A 9 1.565 1.328 -4.736 1.00 0.00 C ATOM 148 C VAL A 9 2.697 2.016 -5.488 1.00 0.00 C ATOM 149 O VAL A 9 3.091 1.592 -6.576 1.00 0.00 O ATOM 150 CB VAL A 9 2.085 0.076 -3.964 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.155 -1.159 -4.848 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.447 0.327 -3.322 1.00 0.00 C ATOM 0 H VAL A 9 0.737 0.591 -6.516 1.00 0.00 H new ATOM 0 HA VAL A 9 1.180 2.028 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 9 1.357 -0.110 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.523 -2.003 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.161 -1.388 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.832 -0.972 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.772 -0.570 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.173 0.576 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.370 1.154 -2.617 1.00 0.00 H new ATOM 162 N TYR A 10 3.190 3.098 -4.898 1.00 0.00 N ATOM 163 CA TYR A 10 4.273 3.882 -5.465 1.00 0.00 C ATOM 164 C TYR A 10 4.936 4.696 -4.358 1.00 0.00 C ATOM 165 O TYR A 10 4.397 4.813 -3.256 1.00 0.00 O ATOM 166 CB TYR A 10 3.762 4.806 -6.587 1.00 0.00 C ATOM 167 CG TYR A 10 2.775 5.875 -6.149 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.405 5.637 -6.165 1.00 0.00 C ATOM 169 CD2 TYR A 10 3.216 7.128 -5.738 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.505 6.617 -5.783 1.00 0.00 C ATOM 171 CE2 TYR A 10 2.324 8.110 -5.351 1.00 0.00 C ATOM 172 CZ TYR A 10 0.970 7.852 -5.376 1.00 0.00 C ATOM 173 OH TYR A 10 0.079 8.834 -5.000 1.00 0.00 O ATOM 0 H TYR A 10 2.845 3.456 -4.007 1.00 0.00 H new ATOM 0 HA TYR A 10 5.005 3.206 -5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.619 5.294 -7.051 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.290 4.192 -7.354 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.037 4.672 -6.481 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.275 7.338 -5.721 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.556 6.417 -5.803 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.686 9.076 -5.030 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.439 8.527 -4.227 1.00 0.00 H new ATOM 183 N SER A 11 6.104 5.241 -4.648 1.00 0.00 N ATOM 184 CA SER A 11 6.854 6.012 -3.671 1.00 0.00 C ATOM 185 C SER A 11 6.415 7.472 -3.696 1.00 0.00 C ATOM 186 O SER A 11 6.147 8.028 -4.763 1.00 0.00 O ATOM 187 CB SER A 11 8.348 5.900 -3.975 1.00 0.00 C ATOM 188 OG SER A 11 9.133 6.571 -3.003 1.00 0.00 O ATOM 0 H SER A 11 6.557 5.163 -5.559 1.00 0.00 H new ATOM 0 HA SER A 11 6.660 5.615 -2.675 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.634 4.849 -4.011 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.551 6.320 -4.960 1.00 0.00 H new ATOM 0 HG SER A 11 9.617 7.310 -3.427 1.00 0.00 H new ATOM 194 N ARG A 12 6.337 8.080 -2.511 1.00 0.00 N ATOM 195 CA ARG A 12 5.948 9.490 -2.387 1.00 0.00 C ATOM 196 C ARG A 12 6.923 10.368 -3.178 1.00 0.00 C ATOM 197 O ARG A 12 6.510 11.262 -3.915 1.00 0.00 O ATOM 198 CB ARG A 12 5.924 9.883 -0.889 1.00 0.00 C ATOM 199 CG ARG A 12 5.167 11.187 -0.522 1.00 0.00 C ATOM 200 CD ARG A 12 5.592 12.429 -1.314 1.00 0.00 C ATOM 201 NE ARG A 12 4.460 13.304 -1.599 1.00 0.00 N ATOM 202 CZ ARG A 12 4.228 13.860 -2.784 1.00 0.00 C ATOM 203 NH1 ARG A 12 4.977 13.538 -3.831 1.00 0.00 N ATOM 204 NH2 ARG A 12 3.231 14.721 -2.930 1.00 0.00 N ATOM 0 H ARG A 12 6.537 7.620 -1.623 1.00 0.00 H new ATOM 0 HA ARG A 12 4.950 9.641 -2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.477 9.061 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.954 9.980 -0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.100 11.025 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.310 11.386 0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.344 12.980 -0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.058 12.121 -2.250 1.00 0.00 H new ATOM 0 HE ARG A 12 3.806 13.501 -0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.734 12.862 -3.728 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.796 13.967 -4.739 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.641 14.958 -2.133 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.054 15.147 -3.840 1.00 0.00 H new ATOM 218 N HIS A 13 8.212 10.104 -3.032 1.00 0.00 N ATOM 219 CA HIS A 13 9.229 10.859 -3.755 1.00 0.00 C ATOM 220 C HIS A 13 10.096 9.900 -4.582 1.00 0.00 C ATOM 221 O HIS A 13 9.904 8.688 -4.478 1.00 0.00 O ATOM 222 CB HIS A 13 10.094 11.666 -2.776 1.00 0.00 C ATOM 223 CG HIS A 13 9.471 12.953 -2.316 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.946 13.615 -1.211 1.00 0.00 N ATOM 225 CD2 HIS A 13 8.436 13.661 -2.843 1.00 0.00 C ATOM 226 CE1 HIS A 13 9.203 14.701 -1.090 1.00 0.00 C ATOM 227 NE2 HIS A 13 8.276 14.771 -2.055 1.00 0.00 N ATOM 0 H HIS A 13 8.580 9.375 -2.421 1.00 0.00 H new ATOM 0 HA HIS A 13 8.739 11.560 -4.431 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.308 11.048 -1.904 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.049 11.888 -3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.853 13.399 -3.714 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.327 15.439 -0.311 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.583 15.509 -2.179 1.00 0.00 H new ATOM 235 N PRO A 14 11.059 10.392 -5.409 1.00 0.00 N ATOM 236 CA PRO A 14 11.936 9.502 -6.187 1.00 0.00 C ATOM 237 C PRO A 14 12.691 8.518 -5.294 1.00 0.00 C ATOM 238 O PRO A 14 13.016 8.824 -4.145 1.00 0.00 O ATOM 239 CB PRO A 14 12.927 10.449 -6.885 1.00 0.00 C ATOM 240 CG PRO A 14 12.784 11.780 -6.194 1.00 0.00 C ATOM 241 CD PRO A 14 11.367 11.818 -5.667 1.00 0.00 C ATOM 0 HA PRO A 14 11.362 8.892 -6.884 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.948 10.075 -6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.702 10.535 -7.948 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.506 11.880 -5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.966 12.602 -6.886 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.292 12.416 -4.759 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.680 12.253 -6.393 1.00 0.00 H new ATOM 249 N ALA A 15 12.962 7.334 -5.821 1.00 0.00 N ATOM 250 CA ALA A 15 13.650 6.312 -5.069 1.00 0.00 C ATOM 251 C ALA A 15 15.138 6.600 -5.036 1.00 0.00 C ATOM 252 O ALA A 15 15.735 6.965 -6.049 1.00 0.00 O ATOM 253 CB ALA A 15 13.395 4.941 -5.668 1.00 0.00 C ATOM 0 H ALA A 15 12.712 7.062 -6.772 1.00 0.00 H new ATOM 0 HA ALA A 15 13.266 6.318 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.923 4.186 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.326 4.730 -5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.753 4.921 -6.697 1.00 0.00 H new ATOM 259 N GLU A 16 15.721 6.454 -3.869 1.00 0.00 N ATOM 260 CA GLU A 16 17.138 6.634 -3.694 1.00 0.00 C ATOM 261 C GLU A 16 17.649 5.559 -2.746 1.00 0.00 C ATOM 262 O GLU A 16 17.196 5.458 -1.607 1.00 0.00 O ATOM 263 CB GLU A 16 17.425 8.029 -3.141 1.00 0.00 C ATOM 264 CG GLU A 16 18.858 8.468 -3.354 1.00 0.00 C ATOM 265 CD GLU A 16 19.187 8.648 -4.822 1.00 0.00 C ATOM 266 OE1 GLU A 16 18.885 9.727 -5.375 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.746 7.714 -5.432 1.00 0.00 O ATOM 0 H GLU A 16 15.222 6.207 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 16 17.650 6.544 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.757 8.747 -3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.201 8.044 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.032 9.406 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.531 7.729 -2.920 1.00 0.00 H new ATOM 274 N ASN A 17 18.555 4.735 -3.233 1.00 0.00 N ATOM 275 CA ASN A 17 19.072 3.615 -2.452 1.00 0.00 C ATOM 276 C ASN A 17 20.110 4.099 -1.447 1.00 0.00 C ATOM 277 O ASN A 17 21.071 4.784 -1.799 1.00 0.00 O ATOM 278 CB ASN A 17 19.625 2.524 -3.387 1.00 0.00 C ATOM 279 CG ASN A 17 20.629 1.579 -2.737 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.551 1.272 -1.552 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.576 1.096 -3.527 1.00 0.00 N ATOM 0 H ASN A 17 18.953 4.815 -4.169 1.00 0.00 H new ATOM 0 HA ASN A 17 18.258 3.169 -1.880 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.791 1.937 -3.772 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.099 3.004 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.270 0.448 -3.154 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.612 1.372 -4.508 1.00 0.00 H new ATOM 288 N GLY A 18 19.888 3.738 -0.189 1.00 0.00 N ATOM 289 CA GLY A 18 20.706 4.243 0.894 1.00 0.00 C ATOM 290 C GLY A 18 20.170 5.564 1.396 1.00 0.00 C ATOM 291 O GLY A 18 20.882 6.341 2.035 1.00 0.00 O ATOM 0 H GLY A 18 19.148 3.098 0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.726 3.520 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.734 4.368 0.553 1.00 0.00 H new ATOM 295 N LYS A 19 18.903 5.819 1.092 1.00 0.00 N ATOM 296 CA LYS A 19 18.270 7.083 1.421 1.00 0.00 C ATOM 297 C LYS A 19 16.851 6.839 1.922 1.00 0.00 C ATOM 298 O LYS A 19 16.169 5.927 1.458 1.00 0.00 O ATOM 299 CB LYS A 19 18.243 7.957 0.170 1.00 0.00 C ATOM 300 CG LYS A 19 18.183 9.453 0.438 1.00 0.00 C ATOM 301 CD LYS A 19 19.470 9.969 1.078 1.00 0.00 C ATOM 302 CE LYS A 19 19.372 11.442 1.478 1.00 0.00 C ATOM 303 NZ LYS A 19 18.257 11.689 2.429 1.00 0.00 N ATOM 0 H LYS A 19 18.292 5.158 0.613 1.00 0.00 H new ATOM 0 HA LYS A 19 18.832 7.586 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.132 7.744 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.381 7.676 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.005 9.983 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.339 9.671 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.700 9.370 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.297 9.839 0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 19 20.312 11.758 1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.229 12.051 0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.588 12.304 3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.471 12.152 1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.931 10.784 2.824 1.00 0.00 H new ATOM 317 N SER A 20 16.420 7.656 2.866 1.00 0.00 N ATOM 318 CA SER A 20 15.116 7.486 3.484 1.00 0.00 C ATOM 319 C SER A 20 14.019 8.197 2.692 1.00 0.00 C ATOM 320 O SER A 20 14.250 9.255 2.107 1.00 0.00 O ATOM 321 CB SER A 20 15.167 8.010 4.912 1.00 0.00 C ATOM 322 OG SER A 20 16.055 7.231 5.700 1.00 0.00 O ATOM 0 H SER A 20 16.956 8.447 3.223 1.00 0.00 H new ATOM 0 HA SER A 20 14.872 6.424 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.491 9.051 4.912 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.169 7.987 5.349 1.00 0.00 H new ATOM 0 HG SER A 20 15.904 6.280 5.519 1.00 0.00 H new ATOM 328 N ASN A 21 12.828 7.603 2.681 1.00 0.00 N ATOM 329 CA ASN A 21 11.691 8.158 1.948 1.00 0.00 C ATOM 330 C ASN A 21 10.383 7.674 2.576 1.00 0.00 C ATOM 331 O ASN A 21 10.397 6.986 3.602 1.00 0.00 O ATOM 332 CB ASN A 21 11.743 7.720 0.475 1.00 0.00 C ATOM 333 CG ASN A 21 11.133 8.742 -0.472 1.00 0.00 C ATOM 334 OD1 ASN A 21 10.248 9.516 -0.104 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.603 8.739 -1.705 1.00 0.00 N ATOM 0 H ASN A 21 12.624 6.733 3.174 1.00 0.00 H new ATOM 0 HA ASN A 21 11.740 9.246 1.999 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.780 7.544 0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.217 6.772 0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.233 9.394 -2.394 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.337 8.082 -1.970 1.00 0.00 H new ATOM 342 N PHE A 22 9.263 8.026 1.951 1.00 0.00 N ATOM 343 CA PHE A 22 7.945 7.615 2.424 1.00 0.00 C ATOM 344 C PHE A 22 7.256 6.741 1.378 1.00 0.00 C ATOM 345 O PHE A 22 7.202 7.096 0.198 1.00 0.00 O ATOM 346 CB PHE A 22 7.065 8.840 2.722 1.00 0.00 C ATOM 347 CG PHE A 22 7.497 9.660 3.904 1.00 0.00 C ATOM 348 CD1 PHE A 22 6.715 9.710 5.045 1.00 0.00 C ATOM 349 CD2 PHE A 22 8.675 10.389 3.871 1.00 0.00 C ATOM 350 CE1 PHE A 22 7.101 10.468 6.134 1.00 0.00 C ATOM 351 CE2 PHE A 22 9.066 11.148 4.955 1.00 0.00 C ATOM 352 CZ PHE A 22 8.279 11.187 6.089 1.00 0.00 C ATOM 0 H PHE A 22 9.243 8.600 1.108 1.00 0.00 H new ATOM 0 HA PHE A 22 8.081 7.044 3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.050 9.481 1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.042 8.502 2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.792 9.150 5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.294 10.363 2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.482 10.498 7.019 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.987 11.711 4.917 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.584 11.779 6.939 1.00 0.00 H new ATOM 362 N LEU A 23 6.737 5.602 1.814 1.00 0.00 N ATOM 363 CA LEU A 23 6.003 4.694 0.932 1.00 0.00 C ATOM 364 C LEU A 23 4.535 5.071 0.940 1.00 0.00 C ATOM 365 O LEU A 23 4.073 5.704 1.879 1.00 0.00 O ATOM 366 CB LEU A 23 6.151 3.258 1.427 1.00 0.00 C ATOM 367 CG LEU A 23 6.538 2.186 0.388 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.611 0.826 1.065 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.558 2.127 -0.779 1.00 0.00 C ATOM 0 H LEU A 23 6.809 5.280 2.779 1.00 0.00 H new ATOM 0 HA LEU A 23 6.404 4.772 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.903 3.249 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.207 2.960 1.883 1.00 0.00 H new ATOM 0 HG LEU A 23 7.511 2.460 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.884 0.068 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.361 0.853 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.640 0.581 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.875 1.357 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.562 1.890 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.536 3.092 -1.284 1.00 0.00 H new ATOM 381 N ASN A 24 3.816 4.693 -0.102 1.00 0.00 N ATOM 382 CA ASN A 24 2.378 4.929 -0.178 1.00 0.00 C ATOM 383 C ASN A 24 1.680 3.744 -0.837 1.00 0.00 C ATOM 384 O ASN A 24 2.069 3.318 -1.927 1.00 0.00 O ATOM 385 CB ASN A 24 2.075 6.216 -0.965 1.00 0.00 C ATOM 386 CG ASN A 24 2.201 7.474 -0.128 1.00 0.00 C ATOM 387 OD1 ASN A 24 1.926 7.472 1.070 1.00 0.00 O ATOM 388 ND2 ASN A 24 2.609 8.565 -0.758 1.00 0.00 N ATOM 0 H ASN A 24 4.205 4.217 -0.916 1.00 0.00 H new ATOM 0 HA ASN A 24 2.001 5.046 0.838 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.755 6.283 -1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.065 6.157 -1.370 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.704 9.443 -0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.828 8.527 -1.753 1.00 0.00 H new ATOM 395 N CYS A 25 0.656 3.205 -0.183 1.00 0.00 N ATOM 396 CA CYS A 25 -0.176 2.180 -0.797 1.00 0.00 C ATOM 397 C CYS A 25 -1.624 2.645 -0.757 1.00 0.00 C ATOM 398 O CYS A 25 -2.126 3.061 0.292 1.00 0.00 O ATOM 399 CB CYS A 25 -0.023 0.814 -0.122 1.00 0.00 C ATOM 400 SG CYS A 25 -0.556 -0.565 -1.200 1.00 0.00 S ATOM 0 H CYS A 25 0.385 3.460 0.767 1.00 0.00 H new ATOM 0 HA CYS A 25 0.149 2.044 -1.828 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.019 0.667 0.161 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.608 0.799 0.797 1.00 0.00 H new ATOM 405 N TYR A 26 -2.283 2.587 -1.902 1.00 0.00 N ATOM 406 CA TYR A 26 -3.602 3.164 -2.062 1.00 0.00 C ATOM 407 C TYR A 26 -4.595 2.094 -2.471 1.00 0.00 C ATOM 408 O TYR A 26 -4.629 1.669 -3.627 1.00 0.00 O ATOM 409 CB TYR A 26 -3.585 4.275 -3.121 1.00 0.00 C ATOM 410 CG TYR A 26 -3.106 5.631 -2.636 1.00 0.00 C ATOM 411 CD1 TYR A 26 -1.764 5.998 -2.707 1.00 0.00 C ATOM 412 CD2 TYR A 26 -4.013 6.567 -2.150 1.00 0.00 C ATOM 413 CE1 TYR A 26 -1.346 7.253 -2.308 1.00 0.00 C ATOM 414 CE2 TYR A 26 -3.598 7.821 -1.743 1.00 0.00 C ATOM 415 CZ TYR A 26 -2.265 8.158 -1.828 1.00 0.00 C ATOM 416 OH TYR A 26 -1.850 9.409 -1.434 1.00 0.00 O ATOM 0 H TYR A 26 -1.918 2.140 -2.743 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.902 3.592 -1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.947 3.957 -3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.592 4.387 -3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.039 5.290 -3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.060 6.309 -2.090 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.302 7.523 -2.373 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.315 8.533 -1.361 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.622 9.926 -1.122 1.00 0.00 H new ATOM 426 N VAL A 27 -5.392 1.653 -1.518 1.00 0.00 N ATOM 427 CA VAL A 27 -6.408 0.660 -1.788 1.00 0.00 C ATOM 428 C VAL A 27 -7.789 1.318 -1.699 1.00 0.00 C ATOM 429 O VAL A 27 -8.307 1.552 -0.608 1.00 0.00 O ATOM 430 CB VAL A 27 -6.312 -0.526 -0.798 1.00 0.00 C ATOM 431 CG1 VAL A 27 -7.017 -1.742 -1.360 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.863 -0.862 -0.473 1.00 0.00 C ATOM 0 H VAL A 27 -5.354 1.968 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.253 0.263 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.804 -0.227 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.940 -2.567 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.068 -1.507 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.552 -2.029 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.831 -1.699 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.338 -1.133 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.381 0.005 -0.021 1.00 0.00 H new ATOM 442 N SER A 28 -8.368 1.646 -2.852 1.00 0.00 N ATOM 443 CA SER A 28 -9.642 2.360 -2.897 1.00 0.00 C ATOM 444 C SER A 28 -10.551 1.748 -3.959 1.00 0.00 C ATOM 445 O SER A 28 -10.075 1.092 -4.889 1.00 0.00 O ATOM 446 CB SER A 28 -9.399 3.850 -3.199 1.00 0.00 C ATOM 447 OG SER A 28 -10.571 4.631 -3.018 1.00 0.00 O ATOM 0 H SER A 28 -7.975 1.429 -3.768 1.00 0.00 H new ATOM 0 HA SER A 28 -10.131 2.272 -1.927 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.609 4.227 -2.549 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.047 3.959 -4.225 1.00 0.00 H new ATOM 0 HG SER A 28 -11.008 4.375 -2.179 1.00 0.00 H new ATOM 453 N GLY A 29 -11.857 1.955 -3.818 1.00 0.00 N ATOM 454 CA GLY A 29 -12.796 1.453 -4.801 1.00 0.00 C ATOM 455 C GLY A 29 -13.635 0.314 -4.275 1.00 0.00 C ATOM 456 O GLY A 29 -14.145 -0.495 -5.048 1.00 0.00 O ATOM 0 H GLY A 29 -12.280 2.461 -3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.451 2.264 -5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.249 1.119 -5.683 1.00 0.00 H new ATOM 460 N PHE A 30 -13.767 0.235 -2.960 1.00 0.00 N ATOM 461 CA PHE A 30 -14.503 -0.856 -2.335 1.00 0.00 C ATOM 462 C PHE A 30 -15.546 -0.336 -1.347 1.00 0.00 C ATOM 463 O PHE A 30 -15.712 0.871 -1.176 1.00 0.00 O ATOM 464 CB PHE A 30 -13.526 -1.783 -1.602 1.00 0.00 C ATOM 465 CG PHE A 30 -12.837 -1.102 -0.457 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.708 -0.333 -0.674 1.00 0.00 C ATOM 467 CD2 PHE A 30 -13.332 -1.209 0.831 1.00 0.00 C ATOM 468 CE1 PHE A 30 -11.088 0.317 0.370 1.00 0.00 C ATOM 469 CE2 PHE A 30 -12.712 -0.564 1.879 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.591 0.202 1.648 1.00 0.00 C ATOM 0 H PHE A 30 -13.375 0.911 -2.305 1.00 0.00 H new ATOM 0 HA PHE A 30 -15.023 -1.404 -3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.066 -2.654 -1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.779 -2.148 -2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.308 -0.241 -1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.214 -1.804 1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.208 0.916 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -13.105 -0.659 2.881 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.107 0.712 2.467 1.00 0.00 H new ATOM 480 N HIS A 31 -16.235 -1.274 -0.709 1.00 0.00 N ATOM 481 CA HIS A 31 -17.199 -0.988 0.343 1.00 0.00 C ATOM 482 C HIS A 31 -17.246 -2.191 1.286 1.00 0.00 C ATOM 483 O HIS A 31 -16.800 -3.271 0.897 1.00 0.00 O ATOM 484 CB HIS A 31 -18.587 -0.665 -0.246 1.00 0.00 C ATOM 485 CG HIS A 31 -19.055 -1.600 -1.324 1.00 0.00 C ATOM 486 ND1 HIS A 31 -18.820 -1.333 -2.653 1.00 0.00 N ATOM 487 CD2 HIS A 31 -19.766 -2.747 -1.224 1.00 0.00 C ATOM 488 CE1 HIS A 31 -19.391 -2.316 -3.325 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.978 -3.197 -2.504 1.00 0.00 N ATOM 0 H HIS A 31 -16.137 -2.269 -0.912 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.892 -0.103 0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -19.318 -0.672 0.562 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.567 0.348 -0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.102 -3.218 -0.312 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.385 -2.399 -4.402 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -20.485 -4.039 -2.777 1.00 0.00 H new ATOM 497 N PRO A 32 -17.763 -2.058 2.534 1.00 0.00 N ATOM 498 CA PRO A 32 -18.372 -0.824 3.070 1.00 0.00 C ATOM 499 C PRO A 32 -17.430 0.380 3.081 1.00 0.00 C ATOM 500 O PRO A 32 -17.579 1.284 2.260 1.00 0.00 O ATOM 501 CB PRO A 32 -18.772 -1.202 4.502 1.00 0.00 C ATOM 502 CG PRO A 32 -18.851 -2.687 4.492 1.00 0.00 C ATOM 503 CD PRO A 32 -17.796 -3.142 3.527 1.00 0.00 C ATOM 0 HA PRO A 32 -19.205 -0.505 2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.036 -0.849 5.225 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.728 -0.756 4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.674 -3.095 5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.839 -3.025 4.180 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.830 -3.270 4.016 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -18.052 -4.099 3.071 1.00 0.00 H new ATOM 511 N SER A 33 -16.468 0.419 4.005 1.00 0.00 N ATOM 512 CA SER A 33 -15.528 1.531 4.071 1.00 0.00 C ATOM 513 C SER A 33 -14.245 1.082 4.772 1.00 0.00 C ATOM 514 O SER A 33 -13.462 1.902 5.252 1.00 0.00 O ATOM 515 CB SER A 33 -16.146 2.711 4.833 1.00 0.00 C ATOM 516 OG SER A 33 -17.366 3.129 4.240 1.00 0.00 O ATOM 0 H SER A 33 -16.323 -0.302 4.711 1.00 0.00 H new ATOM 0 HA SER A 33 -15.295 1.852 3.056 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.323 2.424 5.869 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.443 3.544 4.849 1.00 0.00 H new ATOM 0 HG SER A 33 -17.182 3.803 3.553 1.00 0.00 H new ATOM 522 N ASP A 34 -14.033 -0.230 4.817 1.00 0.00 N ATOM 523 CA ASP A 34 -12.927 -0.789 5.588 1.00 0.00 C ATOM 524 C ASP A 34 -12.220 -1.918 4.827 1.00 0.00 C ATOM 525 O ASP A 34 -12.859 -2.768 4.207 1.00 0.00 O ATOM 526 CB ASP A 34 -13.430 -1.311 6.948 1.00 0.00 C ATOM 527 CG ASP A 34 -14.134 -2.652 6.844 1.00 0.00 C ATOM 528 OD1 ASP A 34 -15.244 -2.707 6.278 1.00 0.00 O ATOM 529 OD2 ASP A 34 -13.580 -3.654 7.345 1.00 0.00 O ATOM 0 H ASP A 34 -14.607 -0.921 4.333 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.206 0.011 5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.585 -1.402 7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.113 -0.581 7.381 1.00 0.00 H new ATOM 534 N ILE A 35 -10.894 -1.885 4.853 1.00 0.00 N ATOM 535 CA ILE A 35 -10.063 -2.966 4.323 1.00 0.00 C ATOM 536 C ILE A 35 -8.758 -3.001 5.106 1.00 0.00 C ATOM 537 O ILE A 35 -8.360 -1.991 5.694 1.00 0.00 O ATOM 538 CB ILE A 35 -9.728 -2.807 2.814 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.212 -4.133 2.231 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.682 -1.721 2.609 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.324 -3.965 1.009 1.00 0.00 C ATOM 0 H ILE A 35 -10.360 -1.108 5.242 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.633 -3.889 4.430 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.644 -2.522 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.655 -4.665 3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.065 -4.758 1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.461 -1.625 1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.063 -0.773 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.772 -1.987 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.001 -4.945 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.883 -3.462 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.451 -3.368 1.273 1.00 0.00 H new ATOM 553 N GLU A 36 -8.111 -4.150 5.146 1.00 0.00 N ATOM 554 CA GLU A 36 -6.829 -4.266 5.811 1.00 0.00 C ATOM 555 C GLU A 36 -5.735 -4.476 4.775 1.00 0.00 C ATOM 556 O GLU A 36 -5.754 -5.456 4.022 1.00 0.00 O ATOM 557 CB GLU A 36 -6.829 -5.444 6.778 1.00 0.00 C ATOM 558 CG GLU A 36 -5.756 -5.355 7.857 1.00 0.00 C ATOM 559 CD GLU A 36 -6.061 -4.294 8.890 1.00 0.00 C ATOM 560 OE1 GLU A 36 -5.829 -3.106 8.613 1.00 0.00 O ATOM 561 OE2 GLU A 36 -6.532 -4.652 9.992 1.00 0.00 O ATOM 0 H GLU A 36 -8.452 -5.015 4.726 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.646 -3.348 6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.807 -5.510 7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.687 -6.365 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.661 -6.322 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.794 -5.139 7.392 1.00 0.00 H new ATOM 568 N VAL A 37 -4.794 -3.557 4.739 1.00 0.00 N ATOM 569 CA VAL A 37 -3.662 -3.655 3.832 1.00 0.00 C ATOM 570 C VAL A 37 -2.364 -3.478 4.613 1.00 0.00 C ATOM 571 O VAL A 37 -2.271 -2.650 5.522 1.00 0.00 O ATOM 572 CB VAL A 37 -3.772 -2.667 2.627 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.853 -1.644 2.879 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.444 -1.979 2.287 1.00 0.00 C ATOM 0 H VAL A 37 -4.788 -2.726 5.331 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.664 -4.650 3.387 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.039 -3.267 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.916 -0.964 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.809 -2.150 3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.616 -1.078 3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.589 -1.306 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.098 -1.409 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.700 -2.732 2.028 1.00 0.00 H new ATOM 584 N ASP A 38 -1.390 -4.292 4.272 1.00 0.00 N ATOM 585 CA ASP A 38 -0.148 -4.360 5.017 1.00 0.00 C ATOM 586 C ASP A 38 1.035 -4.298 4.069 1.00 0.00 C ATOM 587 O ASP A 38 0.965 -4.776 2.941 1.00 0.00 O ATOM 588 CB ASP A 38 -0.136 -5.629 5.890 1.00 0.00 C ATOM 589 CG ASP A 38 0.902 -6.664 5.500 1.00 0.00 C ATOM 590 OD1 ASP A 38 0.511 -7.697 4.913 1.00 0.00 O ATOM 591 OD2 ASP A 38 2.090 -6.473 5.817 1.00 0.00 O ATOM 0 H ASP A 38 -1.434 -4.925 3.473 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.067 -3.502 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.035 -5.338 6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.122 -6.091 5.847 1.00 0.00 H new ATOM 596 N LEU A 39 2.102 -3.666 4.514 1.00 0.00 N ATOM 597 CA LEU A 39 3.266 -3.479 3.670 1.00 0.00 C ATOM 598 C LEU A 39 4.327 -4.510 4.007 1.00 0.00 C ATOM 599 O LEU A 39 4.518 -4.859 5.168 1.00 0.00 O ATOM 600 CB LEU A 39 3.843 -2.066 3.816 1.00 0.00 C ATOM 601 CG LEU A 39 2.836 -0.910 3.757 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.559 0.419 3.929 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.045 -0.916 2.458 1.00 0.00 C ATOM 0 H LEU A 39 2.188 -3.274 5.452 1.00 0.00 H new ATOM 0 HA LEU A 39 2.952 -3.609 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.373 -2.010 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.583 -1.916 3.030 1.00 0.00 H new ATOM 0 HG LEU A 39 2.126 -1.044 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.837 1.234 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.067 0.435 4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.292 0.541 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.343 -0.082 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.729 -0.817 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.495 -1.853 2.371 1.00 0.00 H new ATOM 615 N LEU A 40 5.024 -4.979 2.989 1.00 0.00 N ATOM 616 CA LEU A 40 5.992 -6.044 3.151 1.00 0.00 C ATOM 617 C LEU A 40 7.356 -5.629 2.701 1.00 0.00 C ATOM 618 O LEU A 40 7.555 -4.561 2.128 1.00 0.00 O ATOM 619 CB LEU A 40 5.629 -7.252 2.315 1.00 0.00 C ATOM 620 CG LEU A 40 4.167 -7.640 2.304 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.926 -8.692 1.235 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.744 -8.142 3.672 1.00 0.00 C ATOM 0 H LEU A 40 4.935 -4.634 2.033 1.00 0.00 H new ATOM 0 HA LEU A 40 5.988 -6.281 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.942 -7.065 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.207 -8.104 2.674 1.00 0.00 H new ATOM 0 HG LEU A 40 3.562 -6.764 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.872 -8.970 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.201 -8.290 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.532 -9.573 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.690 -8.417 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.341 -9.014 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.897 -7.356 4.411 1.00 0.00 H new ATOM 634 N LYS A 41 8.289 -6.501 2.993 1.00 0.00 N ATOM 635 CA LYS A 41 9.635 -6.421 2.490 1.00 0.00 C ATOM 636 C LYS A 41 10.086 -7.809 2.103 1.00 0.00 C ATOM 637 O LYS A 41 10.247 -8.676 2.959 1.00 0.00 O ATOM 638 CB LYS A 41 10.553 -5.877 3.562 1.00 0.00 C ATOM 639 CG LYS A 41 9.968 -4.647 4.253 1.00 0.00 C ATOM 640 CD LYS A 41 10.873 -4.146 5.372 1.00 0.00 C ATOM 641 CE LYS A 41 12.226 -3.689 4.847 1.00 0.00 C ATOM 642 NZ LYS A 41 13.170 -3.360 5.948 1.00 0.00 N ATOM 0 H LYS A 41 8.128 -7.304 3.601 1.00 0.00 H new ATOM 0 HA LYS A 41 9.667 -5.758 1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.742 -6.653 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.515 -5.619 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.821 -3.853 3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.987 -4.890 4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.386 -3.319 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.017 -4.940 6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.656 -4.473 4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.091 -2.814 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.079 -3.053 5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.772 -2.594 6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.320 -4.202 6.540 1.00 0.00 H new ATOM 656 N ASN A 42 10.242 -8.000 0.809 1.00 0.00 N ATOM 657 CA ASN A 42 10.631 -9.289 0.206 1.00 0.00 C ATOM 658 C ASN A 42 9.557 -10.365 0.408 1.00 0.00 C ATOM 659 O ASN A 42 9.471 -11.327 -0.357 1.00 0.00 O ATOM 660 CB ASN A 42 11.980 -9.763 0.779 1.00 0.00 C ATOM 661 CG ASN A 42 13.114 -8.803 0.464 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.207 -8.267 -0.640 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.967 -8.558 1.445 1.00 0.00 N ATOM 0 H ASN A 42 10.103 -7.259 0.122 1.00 0.00 H new ATOM 0 HA ASN A 42 10.735 -9.130 -0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.893 -9.876 1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.218 -10.747 0.374 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.736 -7.904 1.300 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.855 -9.023 2.346 1.00 0.00 H new ATOM 670 N GLY A 43 8.731 -10.180 1.424 1.00 0.00 N ATOM 671 CA GLY A 43 7.689 -11.128 1.734 1.00 0.00 C ATOM 672 C GLY A 43 7.162 -10.961 3.140 1.00 0.00 C ATOM 673 O GLY A 43 6.117 -11.513 3.487 1.00 0.00 O ATOM 0 H GLY A 43 8.767 -9.374 2.048 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.870 -11.009 1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.073 -12.140 1.610 1.00 0.00 H new ATOM 677 N GLU A 44 7.868 -10.179 3.944 1.00 0.00 N ATOM 678 CA GLU A 44 7.590 -10.107 5.358 1.00 0.00 C ATOM 679 C GLU A 44 6.965 -8.776 5.754 1.00 0.00 C ATOM 680 O GLU A 44 7.360 -7.722 5.259 1.00 0.00 O ATOM 681 CB GLU A 44 8.897 -10.333 6.075 1.00 0.00 C ATOM 682 CG GLU A 44 9.595 -11.567 5.567 1.00 0.00 C ATOM 683 CD GLU A 44 8.786 -12.827 5.799 1.00 0.00 C ATOM 684 OE1 GLU A 44 8.494 -13.153 6.968 1.00 0.00 O ATOM 685 OE2 GLU A 44 8.434 -13.498 4.809 1.00 0.00 O ATOM 0 H GLU A 44 8.638 -9.587 3.633 1.00 0.00 H new ATOM 0 HA GLU A 44 6.859 -10.867 5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.543 -9.466 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.715 -10.431 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.792 -11.456 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.562 -11.663 6.061 1.00 0.00 H new ATOM 692 N ARG A 45 5.991 -8.857 6.650 1.00 0.00 N ATOM 693 CA ARG A 45 5.212 -7.708 7.093 1.00 0.00 C ATOM 694 C ARG A 45 6.078 -6.635 7.752 1.00 0.00 C ATOM 695 O ARG A 45 6.998 -6.943 8.513 1.00 0.00 O ATOM 696 CB ARG A 45 4.150 -8.182 8.090 1.00 0.00 C ATOM 697 CG ARG A 45 3.201 -7.123 8.560 1.00 0.00 C ATOM 698 CD ARG A 45 2.064 -7.788 9.337 1.00 0.00 C ATOM 699 NE ARG A 45 1.783 -9.135 8.841 1.00 0.00 N ATOM 700 CZ ARG A 45 0.641 -9.495 8.264 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.331 -8.605 8.105 1.00 0.00 N ATOM 702 NH2 ARG A 45 0.478 -10.743 7.839 1.00 0.00 N ATOM 0 H ARG A 45 5.716 -9.733 7.095 1.00 0.00 H new ATOM 0 HA ARG A 45 4.750 -7.260 6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.575 -8.985 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.653 -8.608 8.958 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.721 -6.405 9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.803 -6.569 7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.326 -7.837 10.394 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.165 -7.177 9.260 1.00 0.00 H new ATOM 0 HE ARG A 45 2.510 -9.843 8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.201 -7.645 8.426 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.208 -8.881 7.662 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.229 -11.424 7.956 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.398 -11.021 7.396 1.00 0.00 H new ATOM 716 N ILE A 46 5.769 -5.382 7.452 1.00 0.00 N ATOM 717 CA ILE A 46 6.366 -4.246 8.123 1.00 0.00 C ATOM 718 C ILE A 46 5.452 -3.839 9.260 1.00 0.00 C ATOM 719 O ILE A 46 4.230 -3.837 9.112 1.00 0.00 O ATOM 720 CB ILE A 46 6.526 -3.027 7.190 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.396 -3.347 5.981 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.125 -1.852 7.956 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.351 -2.249 4.935 1.00 0.00 C ATOM 0 H ILE A 46 5.093 -5.128 6.732 1.00 0.00 H new ATOM 0 HA ILE A 46 7.356 -4.544 8.467 1.00 0.00 H new ATOM 0 HB ILE A 46 5.533 -2.762 6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.426 -3.495 6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.065 -4.285 5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.233 -0.998 7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.468 -1.584 8.783 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.103 -2.133 8.346 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.987 -2.523 4.093 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.326 -2.118 4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.708 -1.316 5.371 1.00 0.00 H new ATOM 735 N GLU A 47 6.024 -3.500 10.390 1.00 0.00 N ATOM 736 CA GLU A 47 5.237 -3.150 11.560 1.00 0.00 C ATOM 737 C GLU A 47 5.054 -1.634 11.701 1.00 0.00 C ATOM 738 O GLU A 47 3.992 -1.176 12.119 1.00 0.00 O ATOM 739 CB GLU A 47 5.861 -3.751 12.835 1.00 0.00 C ATOM 740 CG GLU A 47 7.387 -3.694 12.914 1.00 0.00 C ATOM 741 CD GLU A 47 8.090 -4.700 12.019 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.511 -4.316 10.907 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.236 -5.869 12.429 1.00 0.00 O ATOM 0 H GLU A 47 7.033 -3.457 10.530 1.00 0.00 H new ATOM 0 HA GLU A 47 4.244 -3.579 11.424 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.451 -3.229 13.699 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.550 -4.793 12.914 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.717 -2.691 12.645 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.694 -3.865 13.946 1.00 0.00 H new ATOM 750 N LYS A 48 6.091 -0.860 11.374 1.00 0.00 N ATOM 751 CA LYS A 48 6.032 0.604 11.403 1.00 0.00 C ATOM 752 C LYS A 48 5.024 1.205 10.418 1.00 0.00 C ATOM 753 O LYS A 48 4.940 2.427 10.283 1.00 0.00 O ATOM 754 CB LYS A 48 7.418 1.156 11.104 1.00 0.00 C ATOM 755 CG LYS A 48 8.447 0.756 12.138 1.00 0.00 C ATOM 756 CD LYS A 48 8.783 1.919 13.045 1.00 0.00 C ATOM 757 CE LYS A 48 9.536 1.493 14.301 1.00 0.00 C ATOM 758 NZ LYS A 48 9.785 2.648 15.202 1.00 0.00 N ATOM 0 H LYS A 48 6.995 -1.230 11.082 1.00 0.00 H new ATOM 0 HA LYS A 48 5.692 0.887 12.399 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.740 0.804 10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.367 2.244 11.052 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.067 -0.075 12.732 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.351 0.405 11.640 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.385 2.641 12.494 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.862 2.426 13.334 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.962 0.733 14.831 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.486 1.037 14.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.299 2.325 16.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.354 3.361 14.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.877 3.067 15.488 1.00 0.00 H new ATOM 772 N VAL A 49 4.292 0.363 9.714 1.00 0.00 N ATOM 773 CA VAL A 49 3.252 0.830 8.811 1.00 0.00 C ATOM 774 C VAL A 49 2.099 1.468 9.572 1.00 0.00 C ATOM 775 O VAL A 49 1.595 0.910 10.548 1.00 0.00 O ATOM 776 CB VAL A 49 2.697 -0.316 7.959 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.632 0.206 7.010 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.821 -0.990 7.202 1.00 0.00 C ATOM 0 H VAL A 49 4.397 -0.651 9.749 1.00 0.00 H new ATOM 0 HA VAL A 49 3.716 1.574 8.164 1.00 0.00 H new ATOM 0 HB VAL A 49 2.234 -1.057 8.611 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.245 -0.617 6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.819 0.650 7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.067 0.960 6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.417 -1.803 6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.308 -0.264 6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.548 -1.389 7.909 1.00 0.00 H new ATOM 788 N GLU A 50 1.686 2.641 9.119 1.00 0.00 N ATOM 789 CA GLU A 50 0.546 3.316 9.704 1.00 0.00 C ATOM 790 C GLU A 50 -0.378 3.858 8.623 1.00 0.00 C ATOM 791 O GLU A 50 0.056 4.223 7.529 1.00 0.00 O ATOM 792 CB GLU A 50 0.990 4.458 10.624 1.00 0.00 C ATOM 793 CG GLU A 50 1.869 4.014 11.778 1.00 0.00 C ATOM 794 CD GLU A 50 2.162 5.140 12.741 1.00 0.00 C ATOM 795 OE1 GLU A 50 3.161 5.860 12.534 1.00 0.00 O ATOM 796 OE2 GLU A 50 1.389 5.317 13.710 1.00 0.00 O ATOM 0 H GLU A 50 2.126 3.143 8.348 1.00 0.00 H new ATOM 0 HA GLU A 50 0.003 2.581 10.298 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.530 5.198 10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.105 4.953 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.379 3.200 12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.807 3.620 11.387 1.00 0.00 H new ATOM 803 N HIS A 51 -1.652 3.885 8.948 1.00 0.00 N ATOM 804 CA HIS A 51 -2.659 4.491 8.089 1.00 0.00 C ATOM 805 C HIS A 51 -3.065 5.850 8.654 1.00 0.00 C ATOM 806 O HIS A 51 -3.272 5.992 9.860 1.00 0.00 O ATOM 807 CB HIS A 51 -3.881 3.578 7.925 1.00 0.00 C ATOM 808 CG HIS A 51 -4.558 3.184 9.206 1.00 0.00 C ATOM 809 ND1 HIS A 51 -4.149 2.334 10.182 1.00 0.00 N flip ATOM 810 CD2 HIS A 51 -5.792 3.686 9.538 1.00 0.00 C flip ATOM 811 CE1 HIS A 51 -5.142 2.313 11.124 1.00 0.00 C flip ATOM 812 NE2 HIS A 51 -6.107 3.136 10.696 1.00 0.00 N flip ATOM 0 H HIS A 51 -2.024 3.490 9.812 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.228 4.632 7.098 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.608 4.081 7.288 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.571 2.673 7.402 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.384 4.387 8.968 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.146 1.740 12.040 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.975 3.315 11.200 1.00 0.00 H new ATOM 820 N SER A 52 -3.103 6.859 7.792 1.00 0.00 N ATOM 821 CA SER A 52 -3.466 8.212 8.213 1.00 0.00 C ATOM 822 C SER A 52 -4.987 8.387 8.281 1.00 0.00 C ATOM 823 O SER A 52 -5.736 7.409 8.285 1.00 0.00 O ATOM 824 CB SER A 52 -2.848 9.246 7.261 1.00 0.00 C ATOM 825 OG SER A 52 -2.914 10.557 7.802 1.00 0.00 O ATOM 0 H SER A 52 -2.888 6.769 6.799 1.00 0.00 H new ATOM 0 HA SER A 52 -3.069 8.371 9.216 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.808 8.985 7.064 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.370 9.219 6.305 1.00 0.00 H new ATOM 0 HG SER A 52 -2.511 11.191 7.173 1.00 0.00 H new ATOM 831 N ASP A 53 -5.420 9.642 8.339 1.00 0.00 N ATOM 832 CA ASP A 53 -6.831 9.988 8.496 1.00 0.00 C ATOM 833 C ASP A 53 -7.671 9.467 7.333 1.00 0.00 C ATOM 834 O ASP A 53 -7.257 9.527 6.170 1.00 0.00 O ATOM 835 CB ASP A 53 -6.977 11.507 8.613 1.00 0.00 C ATOM 836 CG ASP A 53 -8.406 11.944 8.862 1.00 0.00 C ATOM 837 OD1 ASP A 53 -9.002 12.590 7.979 1.00 0.00 O ATOM 838 OD2 ASP A 53 -8.941 11.655 9.952 1.00 0.00 O ATOM 0 H ASP A 53 -4.802 10.451 8.278 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.198 9.513 9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.346 11.866 9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.614 11.974 7.697 1.00 0.00 H new ATOM 843 N LEU A 54 -8.854 8.964 7.655 1.00 0.00 N ATOM 844 CA LEU A 54 -9.765 8.403 6.666 1.00 0.00 C ATOM 845 C LEU A 54 -10.563 9.537 6.002 1.00 0.00 C ATOM 846 O LEU A 54 -11.658 9.858 6.466 1.00 0.00 O ATOM 847 CB LEU A 54 -10.733 7.439 7.381 1.00 0.00 C ATOM 848 CG LEU A 54 -11.289 6.264 6.558 1.00 0.00 C ATOM 849 CD1 LEU A 54 -12.071 6.750 5.347 1.00 0.00 C ATOM 850 CD2 LEU A 54 -10.172 5.324 6.134 1.00 0.00 C ATOM 0 H LEU A 54 -9.210 8.933 8.610 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.203 7.867 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.221 7.029 8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.577 8.021 7.752 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.979 5.713 7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.449 5.893 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.908 7.365 5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.418 7.341 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.589 4.501 5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.450 5.868 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.674 4.928 7.019 1.00 0.00 H new ATOM 862 N SER A 55 -10.041 10.138 4.921 1.00 0.00 N ATOM 863 CA SER A 55 -10.700 11.284 4.296 1.00 0.00 C ATOM 864 C SER A 55 -10.158 11.541 2.894 1.00 0.00 C ATOM 865 O SER A 55 -8.980 11.309 2.612 1.00 0.00 O ATOM 866 CB SER A 55 -10.515 12.563 5.110 1.00 0.00 C ATOM 867 OG SER A 55 -11.041 12.453 6.423 1.00 0.00 O ATOM 0 H SER A 55 -9.173 9.849 4.469 1.00 0.00 H new ATOM 0 HA SER A 55 -11.759 11.030 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.453 12.803 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.002 13.391 4.595 1.00 0.00 H new ATOM 0 HG SER A 55 -10.342 12.132 7.030 1.00 0.00 H new ATOM 873 N PHE A 56 -11.054 12.009 2.039 1.00 0.00 N ATOM 874 CA PHE A 56 -10.699 12.444 0.693 1.00 0.00 C ATOM 875 C PHE A 56 -11.902 13.096 0.031 1.00 0.00 C ATOM 876 O PHE A 56 -13.026 12.616 0.185 1.00 0.00 O ATOM 877 CB PHE A 56 -10.149 11.295 -0.153 1.00 0.00 C ATOM 878 CG PHE A 56 -9.458 11.736 -1.413 1.00 0.00 C ATOM 879 CD1 PHE A 56 -10.105 11.674 -2.636 1.00 0.00 C ATOM 880 CD2 PHE A 56 -8.154 12.204 -1.373 1.00 0.00 C ATOM 881 CE1 PHE A 56 -9.467 12.073 -3.793 1.00 0.00 C ATOM 882 CE2 PHE A 56 -7.511 12.605 -2.530 1.00 0.00 C ATOM 883 CZ PHE A 56 -8.169 12.538 -3.740 1.00 0.00 C ATOM 0 H PHE A 56 -12.047 12.099 2.256 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.899 13.180 0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.448 10.717 0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.969 10.627 -0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -11.120 11.309 -2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.634 12.256 -0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.984 12.021 -4.740 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.495 12.970 -2.486 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.669 12.849 -4.645 1.00 0.00 H new ATOM 893 N SER A 57 -11.687 14.163 -0.708 1.00 0.00 N ATOM 894 CA SER A 57 -12.780 14.796 -1.426 1.00 0.00 C ATOM 895 C SER A 57 -12.579 14.634 -2.930 1.00 0.00 C ATOM 896 O SER A 57 -11.521 14.984 -3.456 1.00 0.00 O ATOM 897 CB SER A 57 -12.853 16.274 -1.045 1.00 0.00 C ATOM 898 OG SER A 57 -12.819 16.428 0.368 1.00 0.00 O ATOM 0 H SER A 57 -10.778 14.609 -0.829 1.00 0.00 H new ATOM 0 HA SER A 57 -13.721 14.317 -1.154 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.019 16.813 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.768 16.713 -1.442 1.00 0.00 H new ATOM 0 HG SER A 57 -12.865 17.380 0.594 1.00 0.00 H new ATOM 904 N LYS A 58 -13.600 14.120 -3.617 1.00 0.00 N ATOM 905 CA LYS A 58 -13.547 13.884 -5.059 1.00 0.00 C ATOM 906 C LYS A 58 -14.876 13.297 -5.528 1.00 0.00 C ATOM 907 O LYS A 58 -15.748 14.030 -5.986 1.00 0.00 O ATOM 908 CB LYS A 58 -12.387 12.954 -5.448 1.00 0.00 C ATOM 909 CG LYS A 58 -12.307 12.676 -6.945 1.00 0.00 C ATOM 910 CD LYS A 58 -11.096 11.828 -7.306 1.00 0.00 C ATOM 911 CE LYS A 58 -9.793 12.612 -7.205 1.00 0.00 C ATOM 912 NZ LYS A 58 -9.762 13.768 -8.141 1.00 0.00 N ATOM 0 H LYS A 58 -14.487 13.856 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.371 14.841 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.448 13.399 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.495 12.009 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.215 12.166 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.262 13.621 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.050 10.963 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.211 11.447 -8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.664 12.970 -6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.954 11.950 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.780 14.085 -8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.155 13.481 -9.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.329 14.547 -7.750 1.00 0.00 H new ATOM 926 N ASP A 59 -15.039 11.980 -5.413 1.00 0.00 N ATOM 927 CA ASP A 59 -16.316 11.345 -5.740 1.00 0.00 C ATOM 928 C ASP A 59 -16.820 10.507 -4.567 1.00 0.00 C ATOM 929 O ASP A 59 -17.969 10.064 -4.543 1.00 0.00 O ATOM 930 CB ASP A 59 -16.183 10.483 -6.998 1.00 0.00 C ATOM 931 CG ASP A 59 -17.520 9.943 -7.472 1.00 0.00 C ATOM 932 OD1 ASP A 59 -17.716 8.708 -7.439 1.00 0.00 O ATOM 933 OD2 ASP A 59 -18.381 10.752 -7.882 1.00 0.00 O ATOM 0 H ASP A 59 -14.312 11.337 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.046 12.131 -5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.730 11.074 -7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.509 9.651 -6.796 1.00 0.00 H new ATOM 938 N TRP A 60 -15.931 10.307 -3.594 1.00 0.00 N ATOM 939 CA TRP A 60 -16.263 9.671 -2.318 1.00 0.00 C ATOM 940 C TRP A 60 -16.539 8.181 -2.463 1.00 0.00 C ATOM 941 O TRP A 60 -17.553 7.674 -1.985 1.00 0.00 O ATOM 942 CB TRP A 60 -17.426 10.395 -1.633 1.00 0.00 C ATOM 943 CG TRP A 60 -17.041 11.757 -1.139 1.00 0.00 C ATOM 944 CD1 TRP A 60 -16.439 12.054 0.049 1.00 0.00 C ATOM 945 CD2 TRP A 60 -17.216 13.007 -1.822 1.00 0.00 C ATOM 946 NE1 TRP A 60 -16.227 13.407 0.147 1.00 0.00 N ATOM 947 CE2 TRP A 60 -16.698 14.014 -0.987 1.00 0.00 C ATOM 948 CE3 TRP A 60 -17.762 13.371 -3.057 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -16.703 15.358 -1.347 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -17.772 14.705 -3.417 1.00 0.00 C ATOM 951 CH2 TRP A 60 -17.243 15.691 -2.559 1.00 0.00 C ATOM 0 H TRP A 60 -14.952 10.584 -3.669 1.00 0.00 H new ATOM 0 HA TRP A 60 -15.385 9.759 -1.679 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -18.256 10.487 -2.334 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -17.781 9.795 -0.795 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -16.168 11.330 0.803 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -15.790 13.883 0.936 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -18.169 12.621 -3.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -16.294 16.113 -0.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -18.191 14.997 -4.369 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -17.265 16.727 -2.864 1.00 0.00 H new ATOM 962 N SER A 61 -15.608 7.475 -3.093 1.00 0.00 N ATOM 963 CA SER A 61 -15.712 6.028 -3.236 1.00 0.00 C ATOM 964 C SER A 61 -14.958 5.312 -2.107 1.00 0.00 C ATOM 965 O SER A 61 -14.639 4.127 -2.213 1.00 0.00 O ATOM 966 CB SER A 61 -15.168 5.597 -4.606 1.00 0.00 C ATOM 967 OG SER A 61 -15.849 6.265 -5.658 1.00 0.00 O ATOM 0 H SER A 61 -14.772 7.881 -3.513 1.00 0.00 H new ATOM 0 HA SER A 61 -16.763 5.747 -3.169 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.102 5.815 -4.663 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.280 4.519 -4.723 1.00 0.00 H new ATOM 0 HG SER A 61 -15.484 5.975 -6.520 1.00 0.00 H new ATOM 973 N PHE A 62 -14.685 6.065 -1.031 1.00 0.00 N ATOM 974 CA PHE A 62 -14.043 5.553 0.194 1.00 0.00 C ATOM 975 C PHE A 62 -12.584 5.157 -0.036 1.00 0.00 C ATOM 976 O PHE A 62 -12.231 4.508 -1.019 1.00 0.00 O ATOM 977 CB PHE A 62 -14.836 4.382 0.800 1.00 0.00 C ATOM 978 CG PHE A 62 -16.339 4.581 0.844 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.922 5.598 1.599 1.00 0.00 C ATOM 980 CD2 PHE A 62 -17.169 3.713 0.148 1.00 0.00 C ATOM 981 CE1 PHE A 62 -18.312 5.738 1.646 1.00 0.00 C ATOM 982 CE2 PHE A 62 -18.544 3.854 0.188 1.00 0.00 C ATOM 983 CZ PHE A 62 -19.113 4.864 0.938 1.00 0.00 C ATOM 0 H PHE A 62 -14.906 7.060 -0.984 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.047 6.374 0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -14.620 3.481 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -14.478 4.207 1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -16.295 6.282 2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -16.734 2.914 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -18.758 6.527 2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -19.173 3.174 -0.367 1.00 0.00 H new ATOM 0 HZ PHE A 62 -20.187 4.971 0.971 1.00 0.00 H new ATOM 993 N TYR A 63 -11.738 5.556 0.908 1.00 0.00 N ATOM 994 CA TYR A 63 -10.292 5.492 0.736 1.00 0.00 C ATOM 995 C TYR A 63 -9.631 5.027 2.015 1.00 0.00 C ATOM 996 O TYR A 63 -10.133 5.299 3.099 1.00 0.00 O ATOM 997 CB TYR A 63 -9.748 6.882 0.411 1.00 0.00 C ATOM 998 CG TYR A 63 -10.776 7.795 -0.193 1.00 0.00 C ATOM 999 CD1 TYR A 63 -10.947 7.875 -1.564 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -11.578 8.578 0.625 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -11.888 8.717 -2.112 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -12.525 9.421 0.094 1.00 0.00 C ATOM 1003 CZ TYR A 63 -12.675 9.494 -1.277 1.00 0.00 C ATOM 1004 OH TYR A 63 -13.599 10.355 -1.809 1.00 0.00 O ATOM 0 H TYR A 63 -12.034 5.931 1.809 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.077 4.795 -0.074 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.360 7.335 1.323 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.909 6.784 -0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.333 7.268 -2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -11.456 8.524 1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -12.012 8.772 -3.183 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -13.146 10.021 0.743 1.00 0.00 H new ATOM 0 HH TYR A 63 -13.605 11.188 -1.293 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.517 4.330 1.886 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.679 4.041 3.029 1.00 0.00 C ATOM 1016 C LEU A 64 -6.226 3.919 2.583 1.00 0.00 C ATOM 1017 O LEU A 64 -5.910 3.230 1.610 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.212 2.788 3.730 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.318 2.150 4.780 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.094 1.946 6.071 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.809 0.831 4.247 1.00 0.00 C ATOM 0 H LEU A 64 -8.174 3.955 1.001 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.709 4.853 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.161 3.042 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.426 2.039 2.968 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.472 2.802 4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.445 1.488 6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.447 2.909 6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.947 1.294 5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.165 0.362 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.653 0.175 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.241 1.003 3.333 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.355 4.626 3.292 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.962 4.766 2.901 1.00 0.00 C ATOM 1035 C LEU A 65 -3.053 4.109 3.932 1.00 0.00 C ATOM 1036 O LEU A 65 -3.141 4.405 5.119 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.625 6.260 2.793 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.470 6.652 1.860 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -2.301 8.168 1.834 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -1.162 5.988 2.261 1.00 0.00 C ATOM 0 H LEU A 65 -5.596 5.117 4.153 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.806 4.277 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.521 6.785 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.392 6.627 3.792 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.726 6.299 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.479 8.431 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.220 8.630 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.083 8.527 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.373 6.294 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.897 6.289 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.277 4.905 2.222 1.00 0.00 H new ATOM 1052 N TYR A 66 -2.171 3.243 3.469 1.00 0.00 N ATOM 1053 CA TYR A 66 -1.198 2.599 4.341 1.00 0.00 C ATOM 1054 C TYR A 66 0.213 2.924 3.886 1.00 0.00 C ATOM 1055 O TYR A 66 0.609 2.601 2.765 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.412 1.090 4.388 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.329 0.629 5.499 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.863 0.490 6.802 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.650 0.307 5.244 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.694 0.047 7.815 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.484 -0.136 6.249 1.00 0.00 C ATOM 1062 CZ TYR A 66 -4.002 -0.266 7.531 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.832 -0.700 8.537 1.00 0.00 O ATOM 0 H TYR A 66 -2.106 2.966 2.489 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.339 2.987 5.350 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.823 0.763 3.433 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.445 0.600 4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.835 0.732 7.027 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.035 0.404 4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.318 -0.052 8.822 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.513 -0.380 6.030 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.302 -1.510 8.247 1.00 0.00 H new ATOM 1073 N TYR A 67 0.959 3.581 4.760 1.00 0.00 N ATOM 1074 CA TYR A 67 2.301 4.038 4.426 1.00 0.00 C ATOM 1075 C TYR A 67 3.286 3.722 5.541 1.00 0.00 C ATOM 1076 O TYR A 67 2.888 3.366 6.652 1.00 0.00 O ATOM 1077 CB TYR A 67 2.293 5.550 4.145 1.00 0.00 C ATOM 1078 CG TYR A 67 1.862 6.412 5.318 1.00 0.00 C ATOM 1079 CD1 TYR A 67 2.772 6.809 6.292 1.00 0.00 C ATOM 1080 CD2 TYR A 67 0.547 6.837 5.441 1.00 0.00 C ATOM 1081 CE1 TYR A 67 2.380 7.602 7.355 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.147 7.631 6.499 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.067 8.011 7.453 1.00 0.00 C ATOM 1084 OH TYR A 67 0.672 8.793 8.517 1.00 0.00 O ATOM 0 H TYR A 67 0.659 3.811 5.707 1.00 0.00 H new ATOM 0 HA TYR A 67 2.622 3.507 3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.294 5.854 3.837 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.628 5.746 3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.802 6.493 6.217 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.177 6.542 4.696 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.099 7.899 8.104 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.881 7.952 6.578 1.00 0.00 H new ATOM 0 HH TYR A 67 1.425 9.344 8.815 1.00 0.00 H new ATOM 1094 N THR A 68 4.573 3.853 5.242 1.00 0.00 N ATOM 1095 CA THR A 68 5.615 3.640 6.233 1.00 0.00 C ATOM 1096 C THR A 68 6.912 4.313 5.776 1.00 0.00 C ATOM 1097 O THR A 68 7.179 4.421 4.575 1.00 0.00 O ATOM 1098 CB THR A 68 5.858 2.131 6.483 1.00 0.00 C ATOM 1099 OG1 THR A 68 6.649 1.951 7.663 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.554 1.467 5.298 1.00 0.00 C ATOM 0 H THR A 68 4.919 4.107 4.317 1.00 0.00 H new ATOM 0 HA THR A 68 5.286 4.085 7.172 1.00 0.00 H new ATOM 0 HB THR A 68 4.885 1.658 6.613 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.536 1.037 7.997 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.707 0.409 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.935 1.571 4.407 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.518 1.946 5.128 1.00 0.00 H new ATOM 1108 N GLU A 69 7.674 4.812 6.737 1.00 0.00 N ATOM 1109 CA GLU A 69 8.979 5.397 6.459 1.00 0.00 C ATOM 1110 C GLU A 69 9.996 4.280 6.252 1.00 0.00 C ATOM 1111 O GLU A 69 10.081 3.358 7.062 1.00 0.00 O ATOM 1112 CB GLU A 69 9.405 6.300 7.623 1.00 0.00 C ATOM 1113 CG GLU A 69 10.595 7.198 7.317 1.00 0.00 C ATOM 1114 CD GLU A 69 11.042 7.988 8.528 1.00 0.00 C ATOM 1115 OE1 GLU A 69 12.041 7.591 9.163 1.00 0.00 O ATOM 1116 OE2 GLU A 69 10.397 9.006 8.854 1.00 0.00 O ATOM 0 H GLU A 69 7.410 4.824 7.722 1.00 0.00 H new ATOM 0 HA GLU A 69 8.925 6.003 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.559 6.924 7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.648 5.675 8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.424 6.589 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.332 7.886 6.514 1.00 0.00 H new ATOM 1123 N PHE A 70 10.758 4.360 5.170 1.00 0.00 N ATOM 1124 CA PHE A 70 11.671 3.280 4.807 1.00 0.00 C ATOM 1125 C PHE A 70 12.947 3.838 4.180 1.00 0.00 C ATOM 1126 O PHE A 70 12.990 5.001 3.773 1.00 0.00 O ATOM 1127 CB PHE A 70 10.988 2.267 3.865 1.00 0.00 C ATOM 1128 CG PHE A 70 10.669 2.768 2.478 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.368 4.095 2.238 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.658 1.884 1.415 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.062 4.532 0.960 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.355 2.306 0.138 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.056 3.634 -0.092 1.00 0.00 C ATOM 0 H PHE A 70 10.764 5.155 4.531 1.00 0.00 H new ATOM 0 HA PHE A 70 11.946 2.750 5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.632 1.392 3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.061 1.934 4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.371 4.800 3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.891 0.844 1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.829 5.572 0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.352 1.600 -0.679 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.818 3.971 -1.090 1.00 0.00 H new ATOM 1143 N THR A 71 13.976 3.010 4.107 1.00 0.00 N ATOM 1144 CA THR A 71 15.219 3.376 3.444 1.00 0.00 C ATOM 1145 C THR A 71 15.564 2.346 2.364 1.00 0.00 C ATOM 1146 O THR A 71 16.280 1.377 2.634 1.00 0.00 O ATOM 1147 CB THR A 71 16.371 3.471 4.468 1.00 0.00 C ATOM 1148 OG1 THR A 71 15.979 4.323 5.556 1.00 0.00 O ATOM 1149 CG2 THR A 71 17.644 4.013 3.832 1.00 0.00 C ATOM 0 H THR A 71 13.975 2.070 4.503 1.00 0.00 H new ATOM 0 HA THR A 71 15.086 4.352 2.976 1.00 0.00 H new ATOM 0 HB THR A 71 16.578 2.466 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 71 16.710 4.381 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.432 4.066 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 71 17.957 3.352 3.024 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.456 5.010 3.433 1.00 0.00 H new ATOM 1157 N PRO A 72 15.018 2.512 1.137 1.00 0.00 N ATOM 1158 CA PRO A 72 15.262 1.604 0.005 1.00 0.00 C ATOM 1159 C PRO A 72 16.735 1.274 -0.224 1.00 0.00 C ATOM 1160 O PRO A 72 17.617 2.113 -0.044 1.00 0.00 O ATOM 1161 CB PRO A 72 14.713 2.378 -1.211 1.00 0.00 C ATOM 1162 CG PRO A 72 14.408 3.755 -0.711 1.00 0.00 C ATOM 1163 CD PRO A 72 14.099 3.593 0.745 1.00 0.00 C ATOM 0 HA PRO A 72 14.788 0.639 0.186 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.444 2.408 -2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.818 1.899 -1.609 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.256 4.423 -0.860 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.563 4.188 -1.246 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.285 4.509 1.305 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.056 3.323 0.913 1.00 0.00 H new ATOM 1171 N THR A 73 16.970 0.045 -0.649 1.00 0.00 N ATOM 1172 CA THR A 73 18.296 -0.440 -0.948 1.00 0.00 C ATOM 1173 C THR A 73 18.241 -1.268 -2.226 1.00 0.00 C ATOM 1174 O THR A 73 17.154 -1.493 -2.771 1.00 0.00 O ATOM 1175 CB THR A 73 18.868 -1.309 0.196 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.073 -2.481 0.366 1.00 0.00 O ATOM 1177 CG2 THR A 73 18.912 -0.541 1.507 1.00 0.00 C ATOM 0 H THR A 73 16.235 -0.647 -0.796 1.00 0.00 H new ATOM 0 HA THR A 73 18.952 0.422 -1.069 1.00 0.00 H new ATOM 0 HB THR A 73 19.886 -1.587 -0.078 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.639 -3.217 0.680 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.319 -1.181 2.290 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.545 0.339 1.392 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.904 -0.230 1.780 1.00 0.00 H new ATOM 1185 N GLU A 74 19.393 -1.669 -2.721 1.00 0.00 N ATOM 1186 CA GLU A 74 19.468 -2.547 -3.876 1.00 0.00 C ATOM 1187 C GLU A 74 19.009 -3.955 -3.491 1.00 0.00 C ATOM 1188 O GLU A 74 18.181 -4.574 -4.166 1.00 0.00 O ATOM 1189 CB GLU A 74 20.920 -2.560 -4.363 1.00 0.00 C ATOM 1190 CG GLU A 74 21.135 -3.003 -5.798 1.00 0.00 C ATOM 1191 CD GLU A 74 21.205 -4.504 -5.960 1.00 0.00 C ATOM 1192 OE1 GLU A 74 20.262 -5.099 -6.515 1.00 0.00 O ATOM 1193 OE2 GLU A 74 22.230 -5.088 -5.555 1.00 0.00 O ATOM 0 H GLU A 74 20.300 -1.399 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 74 18.815 -2.192 -4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.330 -1.557 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.496 -3.217 -3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 74 20.324 -2.616 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.059 -2.561 -6.172 1.00 0.00 H new ATOM 1200 N LYS A 75 19.528 -4.417 -2.366 1.00 0.00 N ATOM 1201 CA LYS A 75 19.345 -5.783 -1.927 1.00 0.00 C ATOM 1202 C LYS A 75 17.968 -6.058 -1.324 1.00 0.00 C ATOM 1203 O LYS A 75 17.494 -7.196 -1.387 1.00 0.00 O ATOM 1204 CB LYS A 75 20.441 -6.157 -0.934 1.00 0.00 C ATOM 1205 CG LYS A 75 21.804 -6.256 -1.596 1.00 0.00 C ATOM 1206 CD LYS A 75 21.687 -7.065 -2.867 1.00 0.00 C ATOM 1207 CE LYS A 75 23.025 -7.256 -3.561 1.00 0.00 C ATOM 1208 NZ LYS A 75 22.853 -7.645 -4.985 1.00 0.00 N ATOM 0 H LYS A 75 20.090 -3.850 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 75 19.412 -6.407 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.478 -5.412 -0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.196 -7.111 -0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.185 -5.260 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.517 -6.725 -0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.259 -8.040 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.996 -6.568 -3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.601 -6.332 -3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.599 -8.023 -3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.749 -8.026 -5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.112 -8.370 -5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.578 -6.811 -5.542 1.00 0.00 H new ATOM 1222 N ASP A 76 17.325 -5.052 -0.747 1.00 0.00 N ATOM 1223 CA ASP A 76 16.012 -5.266 -0.146 1.00 0.00 C ATOM 1224 C ASP A 76 14.908 -4.802 -1.085 1.00 0.00 C ATOM 1225 O ASP A 76 15.161 -4.089 -2.058 1.00 0.00 O ATOM 1226 CB ASP A 76 15.879 -4.556 1.202 1.00 0.00 C ATOM 1227 CG ASP A 76 15.711 -5.526 2.355 1.00 0.00 C ATOM 1228 OD1 ASP A 76 16.719 -5.844 3.025 1.00 0.00 O ATOM 1229 OD2 ASP A 76 14.573 -5.972 2.599 1.00 0.00 O ATOM 0 H ASP A 76 17.680 -4.098 -0.681 1.00 0.00 H new ATOM 0 HA ASP A 76 15.910 -6.337 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.763 -3.942 1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.023 -3.882 1.171 1.00 0.00 H new ATOM 1234 N GLU A 77 13.684 -5.186 -0.765 1.00 0.00 N ATOM 1235 CA GLU A 77 12.540 -4.916 -1.629 1.00 0.00 C ATOM 1236 C GLU A 77 11.295 -4.866 -0.773 1.00 0.00 C ATOM 1237 O GLU A 77 11.194 -5.592 0.205 1.00 0.00 O ATOM 1238 CB GLU A 77 12.416 -6.023 -2.678 1.00 0.00 C ATOM 1239 CG GLU A 77 11.596 -5.678 -3.921 1.00 0.00 C ATOM 1240 CD GLU A 77 12.363 -4.798 -4.887 1.00 0.00 C ATOM 1241 OE1 GLU A 77 13.462 -5.203 -5.318 1.00 0.00 O ATOM 1242 OE2 GLU A 77 11.851 -3.724 -5.250 1.00 0.00 O ATOM 0 H GLU A 77 13.453 -5.689 0.092 1.00 0.00 H new ATOM 0 HA GLU A 77 12.671 -3.964 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.419 -6.309 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.970 -6.897 -2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.301 -6.598 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.679 -5.171 -3.620 1.00 0.00 H new ATOM 1249 N TYR A 78 10.366 -4.000 -1.109 1.00 0.00 N ATOM 1250 CA TYR A 78 9.173 -3.854 -0.303 1.00 0.00 C ATOM 1251 C TYR A 78 7.943 -4.165 -1.137 1.00 0.00 C ATOM 1252 O TYR A 78 7.975 -4.073 -2.366 1.00 0.00 O ATOM 1253 CB TYR A 78 9.073 -2.449 0.336 1.00 0.00 C ATOM 1254 CG TYR A 78 10.382 -1.875 0.873 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.519 -1.563 2.224 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.469 -1.628 0.037 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.697 -1.031 2.721 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.646 -1.102 0.530 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.755 -0.808 1.870 1.00 0.00 C ATOM 1260 OH TYR A 78 13.925 -0.288 2.365 1.00 0.00 O ATOM 0 H TYR A 78 10.411 -3.391 -1.926 1.00 0.00 H new ATOM 0 HA TYR A 78 9.233 -4.568 0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.672 -1.759 -0.407 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.353 -2.491 1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.692 -1.739 2.896 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.389 -1.852 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.785 -0.792 3.771 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.479 -0.922 -0.134 1.00 0.00 H new ATOM 0 HH TYR A 78 14.680 -0.836 2.064 1.00 0.00 H new ATOM 1270 N ALA A 79 6.864 -4.546 -0.474 1.00 0.00 N ATOM 1271 CA ALA A 79 5.658 -5.007 -1.162 1.00 0.00 C ATOM 1272 C ALA A 79 4.404 -4.497 -0.460 1.00 0.00 C ATOM 1273 O ALA A 79 4.481 -4.002 0.656 1.00 0.00 O ATOM 1274 CB ALA A 79 5.646 -6.525 -1.239 1.00 0.00 C ATOM 0 H ALA A 79 6.793 -4.547 0.544 1.00 0.00 H new ATOM 0 HA ALA A 79 5.665 -4.605 -2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.744 -6.856 -1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.523 -6.868 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.663 -6.941 -0.231 1.00 0.00 H new ATOM 1280 N CYS A 80 3.263 -4.566 -1.129 1.00 0.00 N ATOM 1281 CA CYS A 80 2.004 -4.177 -0.500 1.00 0.00 C ATOM 1282 C CYS A 80 0.984 -5.321 -0.575 1.00 0.00 C ATOM 1283 O CYS A 80 0.826 -5.949 -1.623 1.00 0.00 O ATOM 1284 CB CYS A 80 1.425 -2.904 -1.126 1.00 0.00 C ATOM 1285 SG CYS A 80 -0.013 -2.248 -0.206 1.00 0.00 S ATOM 0 H CYS A 80 3.179 -4.883 -2.095 1.00 0.00 H new ATOM 0 HA CYS A 80 2.217 -3.963 0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.202 -2.140 -1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.128 -3.113 -2.154 1.00 0.00 H new ATOM 1290 N ARG A 81 0.315 -5.587 0.545 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.669 -6.667 0.660 1.00 0.00 C ATOM 1292 C ARG A 81 -2.031 -6.102 1.038 1.00 0.00 C ATOM 1293 O ARG A 81 -2.115 -5.201 1.860 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.235 -7.625 1.772 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.964 -8.960 1.794 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.503 -9.824 2.972 1.00 0.00 C ATOM 1297 NE ARG A 81 0.779 -10.489 2.720 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.673 -10.752 3.674 1.00 0.00 C ATOM 1299 NH1 ARG A 81 1.554 -10.180 4.866 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.730 -11.521 3.410 1.00 0.00 N ATOM 0 H ARG A 81 0.440 -5.056 1.407 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.733 -7.182 -0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.834 -7.814 1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.382 -7.132 2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.038 -8.789 1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.785 -9.490 0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.415 -9.201 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.262 -10.577 3.184 1.00 0.00 H new ATOM 0 HE ARG A 81 0.999 -10.766 1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.780 -9.541 5.050 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.236 -10.379 5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.857 -11.910 2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.412 -11.720 4.142 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.099 -6.625 0.451 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.444 -6.271 0.899 1.00 0.00 C ATOM 1316 C VAL A 82 -5.300 -7.514 1.046 1.00 0.00 C ATOM 1317 O VAL A 82 -5.185 -8.469 0.276 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.165 -5.261 -0.024 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.196 -4.249 -0.561 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.910 -5.946 -1.150 1.00 0.00 C ATOM 0 H VAL A 82 -3.065 -7.286 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.312 -5.782 1.864 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.909 -4.744 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.723 -3.548 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.740 -3.706 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.419 -4.757 -1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.400 -5.196 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.207 -6.517 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.660 -6.619 -0.734 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.120 -7.501 2.068 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.005 -8.616 2.361 1.00 0.00 C ATOM 1332 C ASN A 83 -8.467 -8.188 2.297 1.00 0.00 C ATOM 1333 O ASN A 83 -8.918 -7.410 3.138 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.719 -9.159 3.772 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.248 -9.452 4.034 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -4.803 -10.591 3.943 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.479 -8.419 4.350 1.00 0.00 N ATOM 0 H ASN A 83 -6.197 -6.722 2.722 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.823 -9.388 1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.072 -8.436 4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.294 -10.073 3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.484 -8.559 4.526 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.882 -7.485 4.417 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.212 -8.679 1.308 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.640 -8.467 1.272 1.00 0.00 C ATOM 1346 C HIS A 84 -11.302 -9.760 0.835 1.00 0.00 C ATOM 1347 O HIS A 84 -10.668 -10.601 0.195 1.00 0.00 O ATOM 1348 CB HIS A 84 -10.997 -7.346 0.297 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.290 -6.663 0.625 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.425 -6.892 -0.112 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.571 -5.768 1.606 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.367 -6.136 0.434 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.895 -5.440 1.476 1.00 0.00 N ATOM 0 H HIS A 84 -8.843 -9.223 0.528 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.990 -8.175 2.262 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.195 -6.608 0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.057 -7.756 -0.711 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.883 -5.388 2.347 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.387 -6.087 0.083 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.420 -4.790 2.061 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.572 -9.910 1.172 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.308 -11.129 0.862 1.00 0.00 C ATOM 1363 C VAL A 85 -13.471 -11.310 -0.643 1.00 0.00 C ATOM 1364 O VAL A 85 -13.689 -12.421 -1.121 1.00 0.00 O ATOM 1365 CB VAL A 85 -14.704 -11.141 1.524 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -14.587 -11.014 3.035 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.586 -10.038 0.954 1.00 0.00 C ATOM 0 H VAL A 85 -13.118 -9.202 1.662 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.720 -11.954 1.264 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.175 -12.098 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -15.582 -11.025 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.006 -11.849 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.089 -10.077 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.563 -10.068 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.121 -9.069 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.706 -10.186 -0.119 1.00 0.00 H new ATOM 1377 N THR A 86 -13.365 -10.213 -1.384 1.00 0.00 N ATOM 1378 CA THR A 86 -13.576 -10.235 -2.821 1.00 0.00 C ATOM 1379 C THR A 86 -12.467 -10.993 -3.532 1.00 0.00 C ATOM 1380 O THR A 86 -12.722 -11.825 -4.406 1.00 0.00 O ATOM 1381 CB THR A 86 -13.619 -8.805 -3.371 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.458 -8.095 -2.933 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.854 -8.061 -2.901 1.00 0.00 C ATOM 0 H THR A 86 -13.133 -9.294 -1.008 1.00 0.00 H new ATOM 0 HA THR A 86 -14.525 -10.739 -3.003 1.00 0.00 H new ATOM 0 HB THR A 86 -13.648 -8.866 -4.459 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.654 -7.637 -2.089 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.849 -7.051 -3.312 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.747 -8.586 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.856 -8.010 -1.812 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.237 -10.683 -3.150 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.072 -11.292 -3.767 1.00 0.00 C ATOM 1393 C LEU A 87 -10.050 -12.797 -3.492 1.00 0.00 C ATOM 1394 O LEU A 87 -9.511 -13.573 -4.282 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.780 -10.627 -3.259 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.596 -9.158 -3.664 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.251 -8.618 -3.181 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.719 -9.006 -5.172 1.00 0.00 C ATOM 0 H LEU A 87 -11.021 -10.011 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.131 -11.140 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.761 -10.692 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.928 -11.198 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.383 -8.574 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.148 -7.575 -3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.200 -8.689 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.444 -9.204 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.586 -7.959 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.954 -9.608 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.705 -9.342 -5.492 1.00 0.00 H new ATOM 1410 N SER A 88 -10.660 -13.184 -2.358 1.00 0.00 N ATOM 1411 CA SER A 88 -10.689 -14.574 -1.859 1.00 0.00 C ATOM 1412 C SER A 88 -9.290 -15.041 -1.467 1.00 0.00 C ATOM 1413 O SER A 88 -9.116 -16.066 -0.810 1.00 0.00 O ATOM 1414 CB SER A 88 -11.293 -15.538 -2.879 1.00 0.00 C ATOM 1415 OG SER A 88 -12.252 -14.900 -3.703 1.00 0.00 O ATOM 0 H SER A 88 -11.155 -12.531 -1.751 1.00 0.00 H new ATOM 0 HA SER A 88 -11.328 -14.579 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.500 -15.954 -3.500 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.760 -16.373 -2.357 1.00 0.00 H new ATOM 0 HG SER A 88 -12.615 -15.547 -4.344 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.305 -14.253 -1.861 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.901 -14.555 -1.678 1.00 0.00 C ATOM 1423 C GLN A 89 -6.188 -13.215 -1.634 1.00 0.00 C ATOM 1424 O GLN A 89 -6.198 -12.499 -2.638 1.00 0.00 O ATOM 1425 CB GLN A 89 -6.348 -15.361 -2.867 1.00 0.00 C ATOM 1426 CG GLN A 89 -7.371 -16.259 -3.552 1.00 0.00 C ATOM 1427 CD GLN A 89 -7.119 -16.413 -5.037 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -5.973 -16.445 -5.489 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -8.194 -16.457 -5.812 1.00 0.00 N ATOM 0 H GLN A 89 -8.467 -13.362 -2.330 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.754 -15.145 -0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.942 -14.667 -3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.519 -15.976 -2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.356 -17.242 -3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.369 -15.848 -3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.125 -16.428 -5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.090 -16.520 -6.825 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.614 -12.820 -0.485 1.00 0.00 N ATOM 1439 CA PRO A 90 -4.958 -11.515 -0.350 1.00 0.00 C ATOM 1440 C PRO A 90 -4.018 -11.208 -1.498 1.00 0.00 C ATOM 1441 O PRO A 90 -3.428 -12.109 -2.100 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.186 -11.642 0.951 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.010 -12.575 1.758 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.555 -13.592 0.778 1.00 0.00 C ATOM 0 HA PRO A 90 -5.680 -10.699 -0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.183 -12.035 0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.073 -10.677 1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.412 -13.057 2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.818 -12.047 2.264 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.904 -14.462 0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.538 -13.957 1.077 1.00 0.00 H new ATOM 1452 N LYS A 91 -3.852 -9.931 -1.773 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.133 -9.512 -2.947 1.00 0.00 C ATOM 1454 C LYS A 91 -1.827 -8.860 -2.556 1.00 0.00 C ATOM 1455 O LYS A 91 -1.806 -7.955 -1.727 1.00 0.00 O ATOM 1456 CB LYS A 91 -3.959 -8.534 -3.769 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.332 -8.241 -5.112 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.272 -9.500 -5.955 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.643 -9.907 -6.475 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.585 -11.191 -7.220 1.00 0.00 N ATOM 0 H LYS A 91 -4.207 -9.169 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.931 -10.397 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.959 -8.942 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.075 -7.603 -3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.910 -7.476 -5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.328 -7.842 -4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.598 -9.340 -6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.854 -10.313 -5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.337 -10.001 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.033 -9.125 -7.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.536 -11.438 -7.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.942 -11.093 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.236 -11.942 -6.591 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.747 -9.334 -3.143 1.00 0.00 N ATOM 1475 CA ILE A 92 0.555 -8.735 -2.935 1.00 0.00 C ATOM 1476 C ILE A 92 1.058 -8.159 -4.243 1.00 0.00 C ATOM 1477 O ILE A 92 1.051 -8.831 -5.274 1.00 0.00 O ATOM 1478 CB ILE A 92 1.622 -9.730 -2.408 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.285 -10.240 -0.998 1.00 0.00 C ATOM 1480 CG2 ILE A 92 3.003 -9.080 -2.411 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.213 -11.308 -0.953 1.00 0.00 C ATOM 0 H ILE A 92 -0.746 -10.137 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 92 0.417 -7.966 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 92 1.625 -10.588 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.193 -10.636 -0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.964 -9.396 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.741 -9.791 -2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.264 -8.785 -3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.992 -8.199 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.041 -11.608 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.711 -10.914 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.536 -12.173 -1.532 1.00 0.00 H new ATOM 1493 N VAL A 93 1.469 -6.916 -4.198 1.00 0.00 N ATOM 1494 CA VAL A 93 2.108 -6.286 -5.330 1.00 0.00 C ATOM 1495 C VAL A 93 3.427 -5.696 -4.872 1.00 0.00 C ATOM 1496 O VAL A 93 3.485 -4.984 -3.866 1.00 0.00 O ATOM 1497 CB VAL A 93 1.226 -5.193 -5.974 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.961 -4.499 -7.114 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.081 -5.793 -6.476 1.00 0.00 C ATOM 0 H VAL A 93 1.371 -6.314 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 93 2.272 -7.043 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 93 1.001 -4.448 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.318 -3.734 -7.550 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.870 -4.034 -6.731 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.222 -5.231 -7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.691 -5.010 -6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.133 -6.560 -7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.621 -6.238 -5.641 1.00 0.00 H new ATOM 1509 N LYS A 94 4.481 -6.017 -5.588 1.00 0.00 N ATOM 1510 CA LYS A 94 5.798 -5.574 -5.204 1.00 0.00 C ATOM 1511 C LYS A 94 6.063 -4.181 -5.757 1.00 0.00 C ATOM 1512 O LYS A 94 5.709 -3.867 -6.895 1.00 0.00 O ATOM 1513 CB LYS A 94 6.859 -6.578 -5.661 1.00 0.00 C ATOM 1514 CG LYS A 94 7.687 -6.145 -6.854 1.00 0.00 C ATOM 1515 CD LYS A 94 8.906 -7.034 -6.976 1.00 0.00 C ATOM 1516 CE LYS A 94 10.102 -6.288 -7.543 1.00 0.00 C ATOM 1517 NZ LYS A 94 10.156 -4.867 -7.102 1.00 0.00 N ATOM 0 H LYS A 94 4.450 -6.582 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 94 5.852 -5.518 -4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.531 -6.777 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.365 -7.519 -5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.090 -6.203 -7.764 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.993 -5.105 -6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.161 -7.435 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.672 -7.884 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.018 -6.794 -7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.065 -6.325 -8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.083 -4.463 -7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.407 -4.326 -7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.015 -4.817 -6.073 1.00 0.00 H new ATOM 1531 N TRP A 95 6.657 -3.348 -4.923 1.00 0.00 N ATOM 1532 CA TRP A 95 6.978 -1.983 -5.292 1.00 0.00 C ATOM 1533 C TRP A 95 8.097 -1.986 -6.325 1.00 0.00 C ATOM 1534 O TRP A 95 9.173 -2.533 -6.088 1.00 0.00 O ATOM 1535 CB TRP A 95 7.384 -1.188 -4.038 1.00 0.00 C ATOM 1536 CG TRP A 95 7.771 0.230 -4.311 1.00 0.00 C ATOM 1537 CD1 TRP A 95 6.947 1.245 -4.708 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.078 0.796 -4.175 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.673 2.405 -4.845 1.00 0.00 N ATOM 1540 CE2 TRP A 95 8.979 2.154 -4.519 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.325 0.284 -3.799 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.074 3.011 -4.495 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.414 1.136 -3.774 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.281 2.491 -4.123 1.00 0.00 C ATOM 0 H TRP A 95 6.930 -3.598 -3.973 1.00 0.00 H new ATOM 0 HA TRP A 95 6.104 -1.503 -5.732 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.554 -1.197 -3.331 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.220 -1.695 -3.555 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.886 1.151 -4.887 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.299 3.306 -5.141 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.435 -0.757 -3.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 9.973 4.053 -4.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.381 0.754 -3.482 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.149 3.133 -4.097 1.00 0.00 H new ATOM 1555 N ASP A 96 7.830 -1.399 -7.476 1.00 0.00 N ATOM 1556 CA ASP A 96 8.814 -1.344 -8.545 1.00 0.00 C ATOM 1557 C ASP A 96 9.188 0.099 -8.816 1.00 0.00 C ATOM 1558 O ASP A 96 8.334 0.985 -8.832 1.00 0.00 O ATOM 1559 CB ASP A 96 8.294 -2.013 -9.829 1.00 0.00 C ATOM 1560 CG ASP A 96 7.085 -1.311 -10.422 1.00 0.00 C ATOM 1561 OD1 ASP A 96 7.267 -0.359 -11.207 1.00 0.00 O ATOM 1562 OD2 ASP A 96 5.948 -1.719 -10.114 1.00 0.00 O ATOM 0 H ASP A 96 6.940 -0.953 -7.697 1.00 0.00 H new ATOM 0 HA ASP A 96 9.698 -1.896 -8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.094 -2.034 -10.570 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.034 -3.049 -9.612 1.00 0.00 H new ATOM 1567 N ARG A 97 10.475 0.341 -8.980 1.00 0.00 N ATOM 1568 CA ARG A 97 10.962 1.683 -9.212 1.00 0.00 C ATOM 1569 C ARG A 97 11.236 1.918 -10.692 1.00 0.00 C ATOM 1570 O ARG A 97 10.947 2.990 -11.220 1.00 0.00 O ATOM 1571 CB ARG A 97 12.236 1.924 -8.385 1.00 0.00 C ATOM 1572 CG ARG A 97 13.351 0.910 -8.650 1.00 0.00 C ATOM 1573 CD ARG A 97 13.418 -0.204 -7.600 1.00 0.00 C ATOM 1574 NE ARG A 97 14.082 0.227 -6.369 1.00 0.00 N ATOM 1575 CZ ARG A 97 14.513 -0.618 -5.420 1.00 0.00 C ATOM 1576 NH1 ARG A 97 14.192 -1.908 -5.473 1.00 0.00 N ATOM 1577 NH2 ARG A 97 15.238 -0.167 -4.402 1.00 0.00 N ATOM 0 H ARG A 97 11.200 -0.376 -8.956 1.00 0.00 H new ATOM 0 HA ARG A 97 10.193 2.389 -8.899 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.611 2.925 -8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.980 1.898 -7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.201 0.464 -9.633 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.308 1.431 -8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.408 -0.540 -7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.950 -1.060 -8.016 1.00 0.00 H new ATOM 0 HE ARG A 97 14.225 1.226 -6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.616 -2.259 -6.238 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.522 -2.546 -4.749 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.469 0.825 -4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.564 -0.812 -3.682 1.00 0.00 H new ATOM 1591 N ASP A 98 11.793 0.918 -11.356 1.00 0.00 N ATOM 1592 CA ASP A 98 12.176 1.060 -12.752 1.00 0.00 C ATOM 1593 C ASP A 98 11.825 -0.206 -13.526 1.00 0.00 C ATOM 1594 O ASP A 98 12.002 -0.283 -14.739 1.00 0.00 O ATOM 1595 CB ASP A 98 13.676 1.321 -12.827 1.00 0.00 C ATOM 1596 CG ASP A 98 14.102 1.975 -14.120 1.00 0.00 C ATOM 1597 OD1 ASP A 98 13.887 3.196 -14.265 1.00 0.00 O ATOM 1598 OD2 ASP A 98 14.693 1.290 -14.973 1.00 0.00 O ATOM 0 H ASP A 98 11.990 0.002 -10.953 1.00 0.00 H new ATOM 0 HA ASP A 98 11.635 1.895 -13.197 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.970 1.957 -11.992 1.00 0.00 H new ATOM 0 HB3 ASP A 98 14.209 0.377 -12.712 1.00 0.00 H new ATOM 1603 N MET A 99 11.335 -1.196 -12.796 1.00 0.00 N ATOM 1604 CA MET A 99 10.992 -2.496 -13.361 1.00 0.00 C ATOM 1605 C MET A 99 9.702 -2.419 -14.172 1.00 0.00 C ATOM 1606 CB MET A 99 10.844 -3.518 -12.231 1.00 0.00 C ATOM 1607 CG MET A 99 12.087 -3.642 -11.366 1.00 0.00 C ATOM 1608 SD MET A 99 11.781 -4.492 -9.808 1.00 0.00 S ATOM 1609 CE MET A 99 13.435 -4.539 -9.115 1.00 0.00 C ATOM 0 H MET A 99 11.163 -1.123 -11.793 1.00 0.00 H new ATOM 0 HA MET A 99 11.792 -2.806 -14.033 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.999 -3.235 -11.603 1.00 0.00 H new ATOM 0 HB3 MET A 99 10.610 -4.492 -12.660 1.00 0.00 H new ATOM 0 HG2 MET A 99 12.857 -4.179 -11.921 1.00 0.00 H new ATOM 0 HG3 MET A 99 12.479 -2.646 -11.159 1.00 0.00 H new ATOM 0 HE1 MET A 99 13.409 -5.037 -8.146 1.00 0.00 H new ATOM 0 HE2 MET A 99 14.096 -5.086 -9.787 1.00 0.00 H new ATOM 0 HE3 MET A 99 13.806 -3.522 -8.990 1.00 0.00 H new TER 1619 MET A 99