USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 673 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 52 TYR OH : rot 180:sc= 1.06 USER MOD Set 1.2: A 57 LYS NZ :NH3+ -169:sc= 1.11 (180deg=0) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -131:sc= 1.12 (180deg=-0.444) USER MOD Set 2.2: A 74 GLN : amide:sc= -0.0872 K(o=1,f=-2.6) USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= -0.0275 (180deg=-0.315) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 14 THR OG1 : rot 107:sc= -4.5! USER MOD Single : A 15 ASN : amide:sc= -6.26! C(o=-6.3!,f=-18!) USER MOD Single : A 19 GLN : amide:sc= -0.065 X(o=-0.065,f=0) USER MOD Single : A 20 SER OG : rot 49:sc= 0.0967 USER MOD Single : A 21 MET CE :methyl 138:sc= -1.59 (180deg=-2.13!) USER MOD Single : A 23 THR OG1 : rot -145:sc= -1.81! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.215 USER MOD Single : A 28 THR OG1 : rot -40:sc= -2.26 USER MOD Single : A 29 THR OG1 : rot 171:sc= 0.259 USER MOD Single : A 34 GLN : amide:sc= -1.65 K(o=-1.7,f=-0.92) USER MOD Single : A 36 SER OG : rot -115:sc= -0.909 USER MOD Single : A 42 ASN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -5.78! C(o=-5.8!,f=-12!) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.871 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-3.4!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 12.894 13.849 -5.813 1.00 0.00 N ATOM 2 CA LYS A 6 12.741 12.414 -5.606 1.00 0.00 C ATOM 3 C LYS A 6 11.347 12.087 -5.082 1.00 0.00 C ATOM 4 O LYS A 6 10.572 12.985 -4.751 1.00 0.00 O ATOM 5 CB LYS A 6 13.799 11.901 -4.627 1.00 0.00 C ATOM 6 CG LYS A 6 14.275 10.488 -4.934 1.00 0.00 C ATOM 7 CD LYS A 6 15.714 10.476 -5.432 1.00 0.00 C ATOM 8 CE LYS A 6 15.849 9.695 -6.730 1.00 0.00 C ATOM 9 NZ LYS A 6 15.337 8.303 -6.599 1.00 0.00 N ATOM 0 HA LYS A 6 12.876 11.918 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.655 12.576 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.391 11.927 -3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.195 9.874 -4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.626 10.040 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.055 11.500 -5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.359 10.035 -4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.303 10.209 -7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.896 9.669 -7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.790 7.698 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.555 7.941 -5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.307 8.297 -6.744 1.00 0.00 H new ATOM 23 N GLU A 7 11.033 10.798 -5.012 1.00 0.00 N ATOM 24 CA GLU A 7 9.733 10.353 -4.529 1.00 0.00 C ATOM 25 C GLU A 7 9.742 10.191 -3.010 1.00 0.00 C ATOM 26 O GLU A 7 10.629 10.708 -2.329 1.00 0.00 O ATOM 27 CB GLU A 7 9.351 9.034 -5.201 1.00 0.00 C ATOM 28 CG GLU A 7 10.306 7.897 -4.883 1.00 0.00 C ATOM 29 CD GLU A 7 10.594 7.023 -6.087 1.00 0.00 C ATOM 30 OE1 GLU A 7 9.643 6.704 -6.831 1.00 0.00 O ATOM 31 OE2 GLU A 7 11.772 6.658 -6.286 1.00 0.00 O ATOM 0 H GLU A 7 11.662 10.043 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 7 8.992 11.111 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.346 8.753 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.319 9.181 -6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.242 8.309 -4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.883 7.284 -4.087 1.00 0.00 H new ATOM 38 N LYS A 8 8.753 9.474 -2.484 1.00 0.00 N ATOM 39 CA LYS A 8 8.654 9.249 -1.047 1.00 0.00 C ATOM 40 C LYS A 8 8.970 7.799 -0.698 1.00 0.00 C ATOM 41 O LYS A 8 8.924 6.917 -1.556 1.00 0.00 O ATOM 42 CB LYS A 8 7.255 9.614 -0.543 1.00 0.00 C ATOM 43 CG LYS A 8 6.125 9.025 -1.375 1.00 0.00 C ATOM 44 CD LYS A 8 4.823 9.776 -1.153 1.00 0.00 C ATOM 45 CE LYS A 8 3.621 8.854 -1.264 1.00 0.00 C ATOM 46 NZ LYS A 8 2.365 9.606 -1.538 1.00 0.00 N ATOM 0 H LYS A 8 8.010 9.040 -3.031 1.00 0.00 H new ATOM 0 HA LYS A 8 9.387 9.890 -0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.150 9.273 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.156 10.699 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.392 9.061 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.990 7.975 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.835 10.243 -0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.736 10.579 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.792 8.130 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.511 8.289 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.624 9.296 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.536 10.624 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.057 9.423 -2.514 1.00 0.00 H new ATOM 60 N LYS A 9 9.290 7.561 0.569 1.00 0.00 N ATOM 61 CA LYS A 9 9.615 6.222 1.042 1.00 0.00 C ATOM 62 C LYS A 9 8.683 5.813 2.177 1.00 0.00 C ATOM 63 O LYS A 9 8.460 6.578 3.116 1.00 0.00 O ATOM 64 CB LYS A 9 11.072 6.163 1.510 1.00 0.00 C ATOM 65 CG LYS A 9 11.469 4.824 2.115 1.00 0.00 C ATOM 66 CD LYS A 9 11.603 4.914 3.626 1.00 0.00 C ATOM 67 CE LYS A 9 13.046 5.140 4.047 1.00 0.00 C ATOM 68 NZ LYS A 9 13.181 5.269 5.524 1.00 0.00 N ATOM 0 H LYS A 9 9.331 8.282 1.289 1.00 0.00 H new ATOM 0 HA LYS A 9 9.482 5.524 0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.725 6.376 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.239 6.948 2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.723 4.072 1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.414 4.495 1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.983 5.729 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.230 3.996 4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.660 4.310 3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.427 6.042 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.180 5.422 5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.616 6.077 5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.842 4.399 5.981 1.00 0.00 H new ATOM 82 N ILE A 10 8.137 4.606 2.084 1.00 0.00 N ATOM 83 CA ILE A 10 7.223 4.101 3.102 1.00 0.00 C ATOM 84 C ILE A 10 7.605 2.688 3.531 1.00 0.00 C ATOM 85 O ILE A 10 8.358 2.002 2.839 1.00 0.00 O ATOM 86 CB ILE A 10 5.756 4.099 2.612 1.00 0.00 C ATOM 87 CG1 ILE A 10 5.598 4.958 1.352 1.00 0.00 C ATOM 88 CG2 ILE A 10 4.831 4.599 3.712 1.00 0.00 C ATOM 89 CD1 ILE A 10 5.820 6.436 1.592 1.00 0.00 C ATOM 0 H ILE A 10 8.311 3.959 1.315 1.00 0.00 H new ATOM 0 HA ILE A 10 7.306 4.776 3.954 1.00 0.00 H new ATOM 0 HB ILE A 10 5.482 3.074 2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.303 4.612 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.597 4.811 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.802 4.592 3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.916 3.949 4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.112 5.615 3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.692 6.980 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.098 6.798 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.830 6.596 1.969 1.00 0.00 H new ATOM 101 N ARG A 11 7.079 2.259 4.673 1.00 0.00 N ATOM 102 CA ARG A 11 7.363 0.926 5.192 1.00 0.00 C ATOM 103 C ARG A 11 6.269 -0.055 4.784 1.00 0.00 C ATOM 104 O ARG A 11 5.135 0.343 4.525 1.00 0.00 O ATOM 105 CB ARG A 11 7.487 0.963 6.716 1.00 0.00 C ATOM 106 CG ARG A 11 7.857 -0.378 7.330 1.00 0.00 C ATOM 107 CD ARG A 11 7.771 -0.340 8.848 1.00 0.00 C ATOM 108 NE ARG A 11 8.586 0.730 9.418 1.00 0.00 N ATOM 109 CZ ARG A 11 8.768 0.906 10.725 1.00 0.00 C ATOM 110 NH1 ARG A 11 8.193 0.088 11.599 1.00 0.00 N ATOM 111 NH2 ARG A 11 9.526 1.903 11.160 1.00 0.00 N ATOM 0 H ARG A 11 6.454 2.815 5.257 1.00 0.00 H new ATOM 0 HA ARG A 11 8.309 0.590 4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.241 1.700 6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.541 1.299 7.141 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.191 -1.151 6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.869 -0.650 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.732 -0.203 9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.096 -1.298 9.253 1.00 0.00 H new ATOM 0 HE ARG A 11 9.042 1.380 8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.608 -0.680 11.270 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.336 0.228 12.599 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.969 2.535 10.493 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.666 2.038 12.161 1.00 0.00 H new ATOM 125 N ILE A 12 6.613 -1.338 4.732 1.00 0.00 N ATOM 126 CA ILE A 12 5.654 -2.367 4.360 1.00 0.00 C ATOM 127 C ILE A 12 5.808 -3.604 5.231 1.00 0.00 C ATOM 128 O ILE A 12 6.911 -3.948 5.654 1.00 0.00 O ATOM 129 CB ILE A 12 5.805 -2.798 2.889 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.756 -1.587 1.954 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.715 -3.798 2.533 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.398 -1.841 0.606 1.00 0.00 C ATOM 0 H ILE A 12 7.548 -1.687 4.943 1.00 0.00 H new ATOM 0 HA ILE A 12 4.669 -1.924 4.505 1.00 0.00 H new ATOM 0 HB ILE A 12 6.778 -3.273 2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.717 -1.295 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.257 -0.746 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.825 -4.101 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.800 -4.674 3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.738 -3.337 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.328 -0.942 -0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.447 -2.104 0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.882 -2.661 0.106 1.00 0.00 H new ATOM 144 N THR A 13 4.693 -4.276 5.483 1.00 0.00 N ATOM 145 CA THR A 13 4.704 -5.485 6.290 1.00 0.00 C ATOM 146 C THR A 13 3.574 -6.424 5.892 1.00 0.00 C ATOM 147 O THR A 13 2.401 -6.069 5.985 1.00 0.00 O ATOM 148 CB THR A 13 4.594 -5.139 7.768 1.00 0.00 C ATOM 149 OG1 THR A 13 5.201 -3.889 8.041 1.00 0.00 O ATOM 150 CG2 THR A 13 5.242 -6.171 8.652 1.00 0.00 C ATOM 0 H THR A 13 3.772 -4.004 5.140 1.00 0.00 H new ATOM 0 HA THR A 13 5.651 -5.994 6.112 1.00 0.00 H new ATOM 0 HB THR A 13 3.527 -5.104 7.987 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.117 -3.686 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.135 -5.875 9.696 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.761 -7.137 8.497 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.301 -6.249 8.404 1.00 0.00 H new ATOM 158 N THR A 14 3.928 -7.628 5.453 1.00 0.00 N ATOM 159 CA THR A 14 2.926 -8.605 5.048 1.00 0.00 C ATOM 160 C THR A 14 2.566 -9.535 6.197 1.00 0.00 C ATOM 161 O THR A 14 3.422 -9.908 7.008 1.00 0.00 O ATOM 162 CB THR A 14 3.396 -9.419 3.843 1.00 0.00 C ATOM 163 OG1 THR A 14 4.044 -10.605 4.256 1.00 0.00 O ATOM 164 CG2 THR A 14 4.342 -8.661 2.941 1.00 0.00 C ATOM 0 H THR A 14 4.893 -7.948 5.369 1.00 0.00 H new ATOM 0 HA THR A 14 2.034 -8.049 4.760 1.00 0.00 H new ATOM 0 HB THR A 14 2.491 -9.646 3.280 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.462 -11.374 4.082 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.636 -9.297 2.106 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.845 -7.769 2.560 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.228 -8.370 3.505 1.00 0.00 H new ATOM 172 N ASN A 15 1.289 -9.898 6.245 1.00 0.00 N ATOM 173 CA ASN A 15 0.757 -10.779 7.280 1.00 0.00 C ATOM 174 C ASN A 15 1.570 -12.060 7.405 1.00 0.00 C ATOM 175 O ASN A 15 1.597 -12.685 8.465 1.00 0.00 O ATOM 176 CB ASN A 15 -0.706 -11.120 6.987 1.00 0.00 C ATOM 177 CG ASN A 15 -0.921 -11.570 5.554 1.00 0.00 C ATOM 178 OD1 ASN A 15 -0.044 -11.419 4.705 1.00 0.00 O ATOM 179 ND2 ASN A 15 -2.096 -12.124 5.278 1.00 0.00 N ATOM 0 H ASN A 15 0.592 -9.590 5.567 1.00 0.00 H new ATOM 0 HA ASN A 15 0.823 -10.245 8.228 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.035 -11.907 7.665 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.327 -10.247 7.187 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.299 -12.444 4.331 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.795 -12.230 6.013 1.00 0.00 H new ATOM 186 N ASP A 16 2.234 -12.454 6.323 1.00 0.00 N ATOM 187 CA ASP A 16 3.042 -13.667 6.341 1.00 0.00 C ATOM 188 C ASP A 16 4.156 -13.560 7.380 1.00 0.00 C ATOM 189 O ASP A 16 4.731 -14.567 7.793 1.00 0.00 O ATOM 190 CB ASP A 16 3.629 -13.942 4.957 1.00 0.00 C ATOM 191 CG ASP A 16 3.326 -15.348 4.475 1.00 0.00 C ATOM 192 OD1 ASP A 16 2.146 -15.629 4.173 1.00 0.00 O ATOM 193 OD2 ASP A 16 4.265 -16.166 4.399 1.00 0.00 O ATOM 0 H ASP A 16 2.229 -11.957 5.432 1.00 0.00 H new ATOM 0 HA ASP A 16 2.396 -14.501 6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.228 -13.221 4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.709 -13.795 4.986 1.00 0.00 H new ATOM 198 N GLY A 17 4.454 -12.333 7.805 1.00 0.00 N ATOM 199 CA GLY A 17 5.492 -12.122 8.794 1.00 0.00 C ATOM 200 C GLY A 17 6.734 -11.489 8.204 1.00 0.00 C ATOM 201 O GLY A 17 7.844 -11.723 8.684 1.00 0.00 O ATOM 0 H GLY A 17 3.993 -11.483 7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.107 -11.485 9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.756 -13.077 9.249 1.00 0.00 H new ATOM 205 N ARG A 18 6.553 -10.689 7.158 1.00 0.00 N ATOM 206 CA ARG A 18 7.683 -10.031 6.506 1.00 0.00 C ATOM 207 C ARG A 18 7.430 -8.539 6.331 1.00 0.00 C ATOM 208 O ARG A 18 6.285 -8.092 6.322 1.00 0.00 O ATOM 209 CB ARG A 18 7.950 -10.674 5.148 1.00 0.00 C ATOM 210 CG ARG A 18 6.797 -10.525 4.178 1.00 0.00 C ATOM 211 CD ARG A 18 7.065 -11.265 2.885 1.00 0.00 C ATOM 212 NE ARG A 18 6.945 -12.709 3.054 1.00 0.00 N ATOM 213 CZ ARG A 18 5.835 -13.397 2.804 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.715 -12.770 2.467 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.839 -14.719 2.922 1.00 0.00 N ATOM 0 H ARG A 18 5.644 -10.481 6.746 1.00 0.00 H new ATOM 0 HA ARG A 18 8.557 -10.154 7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.843 -10.227 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.161 -11.734 5.291 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.884 -10.906 4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.631 -9.469 3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.364 -10.929 2.121 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.066 -11.022 2.528 1.00 0.00 H new ATOM 0 HE ARG A 18 7.762 -13.222 3.384 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.701 -11.752 2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.868 -13.306 2.277 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.691 -15.203 3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.990 -15.251 2.731 1.00 0.00 H new ATOM 229 N GLN A 19 8.509 -7.772 6.188 1.00 0.00 N ATOM 230 CA GLN A 19 8.405 -6.327 6.009 1.00 0.00 C ATOM 231 C GLN A 19 9.540 -5.798 5.139 1.00 0.00 C ATOM 232 O GLN A 19 10.623 -6.380 5.087 1.00 0.00 O ATOM 233 CB GLN A 19 8.411 -5.606 7.361 1.00 0.00 C ATOM 234 CG GLN A 19 9.331 -6.231 8.398 1.00 0.00 C ATOM 235 CD GLN A 19 10.624 -5.458 8.573 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.708 -5.963 8.281 1.00 0.00 O ATOM 237 NE2 GLN A 19 10.514 -4.223 9.050 1.00 0.00 N ATOM 0 H GLN A 19 9.465 -8.128 6.193 1.00 0.00 H new ATOM 0 HA GLN A 19 7.458 -6.128 5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.709 -4.569 7.206 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.395 -5.590 7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.811 -6.283 9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.561 -7.255 8.104 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.595 -3.845 9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.349 -3.653 9.187 1.00 0.00 H new ATOM 246 N SER A 20 9.279 -4.686 4.461 1.00 0.00 N ATOM 247 CA SER A 20 10.273 -4.066 3.593 1.00 0.00 C ATOM 248 C SER A 20 9.874 -2.632 3.256 1.00 0.00 C ATOM 249 O SER A 20 8.696 -2.279 3.296 1.00 0.00 O ATOM 250 CB SER A 20 10.440 -4.881 2.308 1.00 0.00 C ATOM 251 OG SER A 20 11.653 -5.614 2.324 1.00 0.00 O ATOM 0 H SER A 20 8.386 -4.195 4.496 1.00 0.00 H new ATOM 0 HA SER A 20 11.225 -4.045 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.599 -5.565 2.196 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.426 -4.214 1.446 1.00 0.00 H new ATOM 0 HG SER A 20 11.737 -6.089 3.177 1.00 0.00 H new ATOM 257 N MET A 21 10.863 -1.811 2.923 1.00 0.00 N ATOM 258 CA MET A 21 10.617 -0.417 2.576 1.00 0.00 C ATOM 259 C MET A 21 10.561 -0.238 1.068 1.00 0.00 C ATOM 260 O MET A 21 11.083 -1.056 0.313 1.00 0.00 O ATOM 261 CB MET A 21 11.694 0.490 3.190 1.00 0.00 C ATOM 262 CG MET A 21 13.021 0.487 2.441 1.00 0.00 C ATOM 263 SD MET A 21 14.084 -0.894 2.904 1.00 0.00 S ATOM 264 CE MET A 21 13.820 -2.000 1.518 1.00 0.00 C ATOM 0 H MET A 21 11.844 -2.087 2.886 1.00 0.00 H new ATOM 0 HA MET A 21 9.650 -0.129 2.988 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.314 1.511 3.227 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.871 0.178 4.219 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.827 0.447 1.369 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.544 1.423 2.635 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.771 -2.438 1.215 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.133 -2.793 1.811 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.395 -1.442 0.683 1.00 0.00 H new ATOM 274 N VAL A 22 9.914 0.834 0.637 1.00 0.00 N ATOM 275 CA VAL A 22 9.775 1.116 -0.780 1.00 0.00 C ATOM 276 C VAL A 22 9.958 2.599 -1.074 1.00 0.00 C ATOM 277 O VAL A 22 10.050 3.420 -0.163 1.00 0.00 O ATOM 278 CB VAL A 22 8.398 0.674 -1.299 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.364 -0.829 -1.519 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.304 1.108 -0.339 1.00 0.00 C ATOM 0 H VAL A 22 9.477 1.522 1.250 1.00 0.00 H new ATOM 0 HA VAL A 22 10.555 0.552 -1.291 1.00 0.00 H new ATOM 0 HB VAL A 22 8.219 1.158 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.380 -1.121 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.122 -1.107 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.565 -1.339 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.335 0.787 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.476 0.655 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.314 2.194 -0.243 1.00 0.00 H new ATOM 290 N THR A 23 10.006 2.929 -2.358 1.00 0.00 N ATOM 291 CA THR A 23 10.172 4.309 -2.793 1.00 0.00 C ATOM 292 C THR A 23 8.925 4.786 -3.533 1.00 0.00 C ATOM 293 O THR A 23 9.011 5.336 -4.631 1.00 0.00 O ATOM 294 CB THR A 23 11.398 4.426 -3.698 1.00 0.00 C ATOM 295 OG1 THR A 23 11.730 5.784 -3.922 1.00 0.00 O ATOM 296 CG2 THR A 23 11.200 3.770 -5.044 1.00 0.00 C ATOM 0 H THR A 23 9.932 2.255 -3.120 1.00 0.00 H new ATOM 0 HA THR A 23 10.317 4.939 -1.915 1.00 0.00 H new ATOM 0 HB THR A 23 12.202 3.910 -3.172 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.077 5.890 -4.832 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.104 3.886 -5.642 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.991 2.709 -4.905 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.362 4.241 -5.558 1.00 0.00 H new ATOM 304 N LEU A 24 7.767 4.559 -2.923 1.00 0.00 N ATOM 305 CA LEU A 24 6.485 4.950 -3.509 1.00 0.00 C ATOM 306 C LEU A 24 6.564 6.324 -4.171 1.00 0.00 C ATOM 307 O LEU A 24 7.048 7.286 -3.576 1.00 0.00 O ATOM 308 CB LEU A 24 5.394 4.948 -2.437 1.00 0.00 C ATOM 309 CG LEU A 24 4.076 4.299 -2.858 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.290 2.837 -3.216 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.038 4.433 -1.755 1.00 0.00 C ATOM 0 H LEU A 24 7.688 4.102 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 24 6.237 4.221 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.772 4.429 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.196 5.978 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 24 3.706 4.818 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.340 2.392 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.999 2.764 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.685 2.305 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.106 3.965 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.401 3.942 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.861 5.488 -1.548 1.00 0.00 H new ATOM 323 N LYS A 25 6.084 6.403 -5.409 1.00 0.00 N ATOM 324 CA LYS A 25 6.099 7.654 -6.157 1.00 0.00 C ATOM 325 C LYS A 25 5.131 8.664 -5.548 1.00 0.00 C ATOM 326 O LYS A 25 4.136 8.291 -4.928 1.00 0.00 O ATOM 327 CB LYS A 25 5.741 7.395 -7.624 1.00 0.00 C ATOM 328 CG LYS A 25 6.858 7.749 -8.593 1.00 0.00 C ATOM 329 CD LYS A 25 6.355 8.622 -9.732 1.00 0.00 C ATOM 330 CE LYS A 25 5.740 9.913 -9.215 1.00 0.00 C ATOM 331 NZ LYS A 25 6.081 11.076 -10.079 1.00 0.00 N ATOM 0 H LYS A 25 5.680 5.615 -5.915 1.00 0.00 H new ATOM 0 HA LYS A 25 7.104 8.072 -6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.484 6.343 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.852 7.972 -7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.653 8.269 -8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.292 6.835 -8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.180 8.855 -10.405 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.615 8.072 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.657 9.804 -9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.090 10.100 -8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.643 11.936 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.114 11.196 -10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.725 10.909 -11.042 1.00 0.00 H new ATOM 345 N SER A 26 5.433 9.948 -5.727 1.00 0.00 N ATOM 346 CA SER A 26 4.592 11.014 -5.193 1.00 0.00 C ATOM 347 C SER A 26 3.154 10.872 -5.679 1.00 0.00 C ATOM 348 O SER A 26 2.208 11.024 -4.906 1.00 0.00 O ATOM 349 CB SER A 26 5.147 12.381 -5.599 1.00 0.00 C ATOM 350 OG SER A 26 4.540 13.420 -4.850 1.00 0.00 O ATOM 0 H SER A 26 6.254 10.274 -6.238 1.00 0.00 H new ATOM 0 HA SER A 26 4.597 10.934 -4.106 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.226 12.400 -5.445 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.974 12.546 -6.662 1.00 0.00 H new ATOM 0 HG SER A 26 4.912 14.283 -5.127 1.00 0.00 H new ATOM 356 N SER A 27 2.996 10.578 -6.965 1.00 0.00 N ATOM 357 CA SER A 27 1.672 10.414 -7.555 1.00 0.00 C ATOM 358 C SER A 27 1.324 8.935 -7.697 1.00 0.00 C ATOM 359 O SER A 27 0.745 8.517 -8.701 1.00 0.00 O ATOM 360 CB SER A 27 1.612 11.099 -8.921 1.00 0.00 C ATOM 361 OG SER A 27 2.428 10.426 -9.865 1.00 0.00 O ATOM 0 H SER A 27 3.768 10.448 -7.619 1.00 0.00 H new ATOM 0 HA SER A 27 0.943 10.880 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.582 11.120 -9.276 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.938 12.135 -8.827 1.00 0.00 H new ATOM 0 HG SER A 27 2.371 10.882 -10.731 1.00 0.00 H new ATOM 367 N THR A 28 1.682 8.149 -6.688 1.00 0.00 N ATOM 368 CA THR A 28 1.411 6.718 -6.699 1.00 0.00 C ATOM 369 C THR A 28 0.010 6.423 -6.174 1.00 0.00 C ATOM 370 O THR A 28 -0.226 6.443 -4.966 1.00 0.00 O ATOM 371 CB THR A 28 2.453 5.974 -5.857 1.00 0.00 C ATOM 372 OG1 THR A 28 3.709 5.964 -6.510 1.00 0.00 O ATOM 373 CG2 THR A 28 2.082 4.534 -5.561 1.00 0.00 C ATOM 0 H THR A 28 2.161 8.480 -5.851 1.00 0.00 H new ATOM 0 HA THR A 28 1.471 6.371 -7.730 1.00 0.00 H new ATOM 0 HB THR A 28 2.496 6.519 -4.914 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.577 5.819 -7.470 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.866 4.072 -4.961 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.141 4.506 -5.011 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.971 3.987 -6.497 1.00 0.00 H new ATOM 381 N THR A 29 -0.911 6.136 -7.086 1.00 0.00 N ATOM 382 CA THR A 29 -2.282 5.823 -6.706 1.00 0.00 C ATOM 383 C THR A 29 -2.371 4.396 -6.180 1.00 0.00 C ATOM 384 O THR A 29 -1.405 3.636 -6.260 1.00 0.00 O ATOM 385 CB THR A 29 -3.223 6.003 -7.899 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.554 5.664 -7.544 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.839 5.166 -9.100 1.00 0.00 C ATOM 0 H THR A 29 -0.734 6.114 -8.090 1.00 0.00 H new ATOM 0 HA THR A 29 -2.586 6.510 -5.916 1.00 0.00 H new ATOM 0 HB THR A 29 -3.143 7.055 -8.172 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.161 5.919 -8.270 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.548 5.343 -9.908 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.837 5.441 -9.430 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.855 4.111 -8.828 1.00 0.00 H new ATOM 395 N PHE A 30 -3.532 4.037 -5.642 1.00 0.00 N ATOM 396 CA PHE A 30 -3.745 2.695 -5.101 1.00 0.00 C ATOM 397 C PHE A 30 -3.234 1.625 -6.064 1.00 0.00 C ATOM 398 O PHE A 30 -2.777 0.564 -5.642 1.00 0.00 O ATOM 399 CB PHE A 30 -5.229 2.469 -4.810 1.00 0.00 C ATOM 400 CG PHE A 30 -5.529 1.116 -4.230 1.00 0.00 C ATOM 401 CD1 PHE A 30 -5.109 0.788 -2.951 1.00 0.00 C ATOM 402 CD2 PHE A 30 -6.228 0.174 -4.965 1.00 0.00 C ATOM 403 CE1 PHE A 30 -5.383 -0.455 -2.415 1.00 0.00 C ATOM 404 CE2 PHE A 30 -6.505 -1.073 -4.434 1.00 0.00 C ATOM 405 CZ PHE A 30 -6.082 -1.387 -3.158 1.00 0.00 C ATOM 0 H PHE A 30 -4.341 4.654 -5.568 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.182 2.615 -4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.576 3.237 -4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.795 2.593 -5.733 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.561 1.512 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.561 0.415 -5.964 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.051 -0.698 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.051 -1.800 -5.017 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.297 -2.360 -2.741 1.00 0.00 H new ATOM 415 N PHE A 31 -3.309 1.916 -7.359 1.00 0.00 N ATOM 416 CA PHE A 31 -2.846 0.981 -8.377 1.00 0.00 C ATOM 417 C PHE A 31 -1.323 0.955 -8.424 1.00 0.00 C ATOM 418 O PHE A 31 -0.711 -0.113 -8.470 1.00 0.00 O ATOM 419 CB PHE A 31 -3.404 1.367 -9.747 1.00 0.00 C ATOM 420 CG PHE A 31 -4.891 1.575 -9.754 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.748 0.565 -9.345 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.434 2.781 -10.169 1.00 0.00 C ATOM 423 CE1 PHE A 31 -7.117 0.753 -9.350 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.802 2.975 -10.176 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.645 1.959 -9.766 1.00 0.00 C ATOM 0 H PHE A 31 -3.685 2.790 -7.727 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.206 -0.015 -8.117 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.916 2.282 -10.084 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.151 0.587 -10.466 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.341 -0.380 -9.018 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.780 3.578 -10.491 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.773 -0.042 -9.029 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.212 3.920 -10.501 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.715 2.108 -9.771 1.00 0.00 H new ATOM 435 N GLU A 32 -0.718 2.138 -8.407 1.00 0.00 N ATOM 436 CA GLU A 32 0.735 2.254 -8.439 1.00 0.00 C ATOM 437 C GLU A 32 1.348 1.636 -7.189 1.00 0.00 C ATOM 438 O GLU A 32 2.443 1.074 -7.232 1.00 0.00 O ATOM 439 CB GLU A 32 1.150 3.721 -8.559 1.00 0.00 C ATOM 440 CG GLU A 32 1.149 4.239 -9.989 1.00 0.00 C ATOM 441 CD GLU A 32 2.322 5.157 -10.277 1.00 0.00 C ATOM 442 OE1 GLU A 32 2.924 5.671 -9.311 1.00 0.00 O ATOM 443 OE2 GLU A 32 2.637 5.361 -11.467 1.00 0.00 O ATOM 0 H GLU A 32 -1.212 3.030 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 32 1.103 1.713 -9.311 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.474 4.331 -7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.148 3.843 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.176 3.394 -10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.218 4.774 -10.177 1.00 0.00 H new ATOM 450 N LEU A 33 0.628 1.736 -6.075 1.00 0.00 N ATOM 451 CA LEU A 33 1.096 1.180 -4.812 1.00 0.00 C ATOM 452 C LEU A 33 1.084 -0.344 -4.868 1.00 0.00 C ATOM 453 O LEU A 33 2.032 -1.000 -4.435 1.00 0.00 O ATOM 454 CB LEU A 33 0.220 1.671 -3.654 1.00 0.00 C ATOM 455 CG LEU A 33 0.439 0.955 -2.319 1.00 0.00 C ATOM 456 CD1 LEU A 33 1.910 0.979 -1.936 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.408 1.592 -1.228 1.00 0.00 C ATOM 0 H LEU A 33 -0.281 2.197 -6.023 1.00 0.00 H new ATOM 0 HA LEU A 33 2.119 1.518 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.400 2.736 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.826 1.561 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 33 0.131 -0.084 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.047 0.465 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.495 0.477 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.245 2.012 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.240 1.070 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.130 2.640 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.462 1.522 -1.498 1.00 0.00 H new ATOM 469 N GLN A 34 0.004 -0.899 -5.409 1.00 0.00 N ATOM 470 CA GLN A 34 -0.131 -2.347 -5.529 1.00 0.00 C ATOM 471 C GLN A 34 1.017 -2.935 -6.344 1.00 0.00 C ATOM 472 O GLN A 34 1.372 -4.102 -6.182 1.00 0.00 O ATOM 473 CB GLN A 34 -1.470 -2.704 -6.178 1.00 0.00 C ATOM 474 CG GLN A 34 -2.667 -2.471 -5.271 1.00 0.00 C ATOM 475 CD GLN A 34 -3.167 -3.750 -4.626 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.373 -3.971 -4.512 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.240 -4.601 -4.201 1.00 0.00 N ATOM 0 H GLN A 34 -0.789 -0.369 -5.771 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.097 -2.774 -4.527 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.593 -2.114 -7.086 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.451 -3.752 -6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.395 -1.758 -4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.474 -2.020 -5.849 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.251 -4.377 -4.316 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.517 -5.478 -3.760 1.00 0.00 H new ATOM 486 N GLU A 35 1.593 -2.117 -7.221 1.00 0.00 N ATOM 487 CA GLU A 35 2.701 -2.555 -8.060 1.00 0.00 C ATOM 488 C GLU A 35 4.038 -2.368 -7.346 1.00 0.00 C ATOM 489 O GLU A 35 5.017 -3.043 -7.661 1.00 0.00 O ATOM 490 CB GLU A 35 2.704 -1.780 -9.380 1.00 0.00 C ATOM 491 CG GLU A 35 3.776 -2.240 -10.354 1.00 0.00 C ATOM 492 CD GLU A 35 3.223 -2.542 -11.733 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.671 -3.646 -11.923 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.341 -1.674 -12.624 1.00 0.00 O ATOM 0 H GLU A 35 1.310 -1.148 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 35 2.567 -3.617 -8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.727 -1.882 -9.853 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.847 -0.720 -9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.542 -1.469 -10.435 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.262 -3.132 -9.959 1.00 0.00 H new ATOM 501 N SER A 36 4.072 -1.448 -6.385 1.00 0.00 N ATOM 502 CA SER A 36 5.289 -1.178 -5.630 1.00 0.00 C ATOM 503 C SER A 36 5.615 -2.339 -4.699 1.00 0.00 C ATOM 504 O SER A 36 6.743 -2.833 -4.677 1.00 0.00 O ATOM 505 CB SER A 36 5.138 0.112 -4.822 1.00 0.00 C ATOM 506 OG SER A 36 5.629 1.228 -5.545 1.00 0.00 O ATOM 0 H SER A 36 3.271 -0.878 -6.112 1.00 0.00 H new ATOM 0 HA SER A 36 6.109 -1.059 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.088 0.269 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.678 0.020 -3.879 1.00 0.00 H new ATOM 0 HG SER A 36 6.407 1.602 -5.081 1.00 0.00 H new ATOM 512 N ILE A 37 4.620 -2.775 -3.934 1.00 0.00 N ATOM 513 CA ILE A 37 4.803 -3.883 -3.006 1.00 0.00 C ATOM 514 C ILE A 37 5.162 -5.160 -3.757 1.00 0.00 C ATOM 515 O ILE A 37 5.947 -5.976 -3.274 1.00 0.00 O ATOM 516 CB ILE A 37 3.535 -4.131 -2.167 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.080 -2.835 -1.489 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.784 -5.219 -1.133 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.620 -2.514 -1.717 1.00 0.00 C ATOM 0 H ILE A 37 3.680 -2.378 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 37 5.619 -3.611 -2.337 1.00 0.00 H new ATOM 0 HB ILE A 37 2.740 -4.467 -2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.264 -2.911 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.687 -2.009 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.878 -5.381 -0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.060 -6.145 -1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.593 -4.912 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.368 -1.584 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.434 -2.405 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.004 -3.322 -1.322 1.00 0.00 H new ATOM 531 N ALA A 38 4.585 -5.322 -4.942 1.00 0.00 N ATOM 532 CA ALA A 38 4.848 -6.495 -5.764 1.00 0.00 C ATOM 533 C ALA A 38 6.330 -6.600 -6.116 1.00 0.00 C ATOM 534 O ALA A 38 6.809 -7.663 -6.506 1.00 0.00 O ATOM 535 CB ALA A 38 4.004 -6.451 -7.029 1.00 0.00 C ATOM 0 H ALA A 38 3.932 -4.655 -5.354 1.00 0.00 H new ATOM 0 HA ALA A 38 4.576 -7.380 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.210 -7.333 -7.635 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.948 -6.433 -6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.249 -5.555 -7.599 1.00 0.00 H new ATOM 541 N ARG A 39 7.053 -5.491 -5.972 1.00 0.00 N ATOM 542 CA ARG A 39 8.480 -5.467 -6.274 1.00 0.00 C ATOM 543 C ARG A 39 9.296 -5.793 -5.029 1.00 0.00 C ATOM 544 O ARG A 39 10.249 -6.571 -5.084 1.00 0.00 O ATOM 545 CB ARG A 39 8.897 -4.097 -6.820 1.00 0.00 C ATOM 546 CG ARG A 39 7.795 -3.372 -7.578 1.00 0.00 C ATOM 547 CD ARG A 39 8.354 -2.232 -8.413 1.00 0.00 C ATOM 548 NE ARG A 39 7.297 -1.387 -8.962 1.00 0.00 N ATOM 549 CZ ARG A 39 7.494 -0.146 -9.403 1.00 0.00 C ATOM 550 NH1 ARG A 39 8.706 0.394 -9.368 1.00 0.00 N ATOM 551 NH2 ARG A 39 6.478 0.556 -9.884 1.00 0.00 N ATOM 0 H ARG A 39 6.674 -4.601 -5.649 1.00 0.00 H new ATOM 0 HA ARG A 39 8.674 -6.223 -7.035 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.226 -3.471 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.754 -4.226 -7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.272 -4.076 -8.225 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.061 -2.982 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.021 -1.626 -7.799 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.953 -2.639 -9.228 1.00 0.00 H new ATOM 0 HE ARG A 39 6.353 -1.770 -9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.493 -0.142 -9.002 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.851 1.345 -9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.545 0.146 -9.916 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.629 1.507 -10.222 1.00 0.00 H new ATOM 565 N GLU A 40 8.915 -5.189 -3.910 1.00 0.00 N ATOM 566 CA GLU A 40 9.608 -5.406 -2.647 1.00 0.00 C ATOM 567 C GLU A 40 9.320 -6.798 -2.092 1.00 0.00 C ATOM 568 O GLU A 40 10.142 -7.373 -1.379 1.00 0.00 O ATOM 569 CB GLU A 40 9.198 -4.341 -1.629 1.00 0.00 C ATOM 570 CG GLU A 40 10.353 -3.469 -1.165 1.00 0.00 C ATOM 571 CD GLU A 40 10.915 -2.601 -2.275 1.00 0.00 C ATOM 572 OE1 GLU A 40 10.509 -2.790 -3.442 1.00 0.00 O ATOM 573 OE2 GLU A 40 11.762 -1.733 -1.978 1.00 0.00 O ATOM 0 H GLU A 40 8.128 -4.543 -3.852 1.00 0.00 H new ATOM 0 HA GLU A 40 10.679 -5.329 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.428 -3.707 -2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.752 -4.830 -0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.016 -2.832 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.146 -4.104 -0.769 1.00 0.00 H new ATOM 580 N PHE A 41 8.148 -7.333 -2.419 1.00 0.00 N ATOM 581 CA PHE A 41 7.756 -8.655 -1.946 1.00 0.00 C ATOM 582 C PHE A 41 7.471 -9.594 -3.113 1.00 0.00 C ATOM 583 O PHE A 41 7.679 -9.238 -4.273 1.00 0.00 O ATOM 584 CB PHE A 41 6.529 -8.547 -1.041 1.00 0.00 C ATOM 585 CG PHE A 41 6.752 -7.671 0.158 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.576 -6.300 0.074 1.00 0.00 C ATOM 587 CD2 PHE A 41 7.143 -8.219 1.369 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.784 -5.491 1.175 1.00 0.00 C ATOM 589 CE2 PHE A 41 7.353 -7.416 2.474 1.00 0.00 C ATOM 590 CZ PHE A 41 7.173 -6.050 2.377 1.00 0.00 C ATOM 0 H PHE A 41 7.455 -6.872 -3.008 1.00 0.00 H new ATOM 0 HA PHE A 41 8.585 -9.071 -1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.693 -8.154 -1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.244 -9.544 -0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.272 -5.858 -0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.285 -9.286 1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.643 -4.423 1.096 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.657 -7.856 3.412 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.336 -5.420 3.239 1.00 0.00 H new ATOM 600 N ASN A 42 7.001 -10.798 -2.800 1.00 0.00 N ATOM 601 CA ASN A 42 6.697 -11.790 -3.825 1.00 0.00 C ATOM 602 C ASN A 42 5.192 -12.010 -3.958 1.00 0.00 C ATOM 603 O ASN A 42 4.723 -13.148 -4.002 1.00 0.00 O ATOM 604 CB ASN A 42 7.391 -13.115 -3.500 1.00 0.00 C ATOM 605 CG ASN A 42 8.846 -13.126 -3.925 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.249 -13.916 -4.778 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.643 -12.244 -3.332 1.00 0.00 N ATOM 0 H ASN A 42 6.823 -11.110 -1.845 1.00 0.00 H new ATOM 0 HA ASN A 42 7.069 -11.411 -4.777 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.327 -13.302 -2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.864 -13.929 -3.997 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.632 -12.203 -3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.266 -11.607 -2.630 1.00 0.00 H new ATOM 614 N ILE A 43 4.439 -10.917 -4.032 1.00 0.00 N ATOM 615 CA ILE A 43 2.993 -10.999 -4.172 1.00 0.00 C ATOM 616 C ILE A 43 2.494 -10.029 -5.242 1.00 0.00 C ATOM 617 O ILE A 43 2.919 -8.875 -5.293 1.00 0.00 O ATOM 618 CB ILE A 43 2.274 -10.700 -2.842 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.834 -11.583 -1.727 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.774 -10.911 -2.987 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.789 -10.859 -0.807 1.00 0.00 C ATOM 0 H ILE A 43 4.807 -9.966 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 43 2.761 -12.021 -4.471 1.00 0.00 H new ATOM 0 HB ILE A 43 2.449 -9.657 -2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.007 -11.980 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.347 -12.435 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.283 -10.695 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.385 -10.244 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.578 -11.945 -3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.147 -11.546 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.636 -10.485 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.274 -10.023 -0.333 1.00 0.00 H new ATOM 633 N PRO A 44 1.584 -10.491 -6.117 1.00 0.00 N ATOM 634 CA PRO A 44 1.031 -9.662 -7.190 1.00 0.00 C ATOM 635 C PRO A 44 0.097 -8.574 -6.665 1.00 0.00 C ATOM 636 O PRO A 44 -0.299 -8.594 -5.501 1.00 0.00 O ATOM 637 CB PRO A 44 0.258 -10.663 -8.051 1.00 0.00 C ATOM 638 CG PRO A 44 -0.095 -11.772 -7.121 1.00 0.00 C ATOM 639 CD PRO A 44 1.029 -11.855 -6.124 1.00 0.00 C ATOM 0 HA PRO A 44 1.811 -9.126 -7.732 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.634 -10.208 -8.481 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.865 -11.022 -8.882 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.044 -11.575 -6.623 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.207 -12.712 -7.661 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.670 -12.147 -5.137 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.776 -12.591 -6.422 1.00 0.00 H new ATOM 647 N PRO A 45 -0.265 -7.605 -7.523 1.00 0.00 N ATOM 648 CA PRO A 45 -1.153 -6.501 -7.140 1.00 0.00 C ATOM 649 C PRO A 45 -2.565 -6.972 -6.803 1.00 0.00 C ATOM 650 O PRO A 45 -3.298 -6.292 -6.084 1.00 0.00 O ATOM 651 CB PRO A 45 -1.170 -5.605 -8.382 1.00 0.00 C ATOM 652 CG PRO A 45 -0.791 -6.503 -9.508 1.00 0.00 C ATOM 653 CD PRO A 45 0.164 -7.507 -8.929 1.00 0.00 C ATOM 0 HA PRO A 45 -0.802 -5.997 -6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.156 -5.168 -8.540 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.467 -4.778 -8.282 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.668 -6.995 -9.928 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.324 -5.940 -10.316 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.096 -8.468 -9.439 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.199 -7.174 -9.012 1.00 0.00 H new ATOM 661 N TYR A 46 -2.944 -8.135 -7.325 1.00 0.00 N ATOM 662 CA TYR A 46 -4.273 -8.682 -7.074 1.00 0.00 C ATOM 663 C TYR A 46 -4.278 -9.608 -5.855 1.00 0.00 C ATOM 664 O TYR A 46 -5.284 -10.257 -5.568 1.00 0.00 O ATOM 665 CB TYR A 46 -4.784 -9.433 -8.305 1.00 0.00 C ATOM 666 CG TYR A 46 -3.974 -10.661 -8.652 1.00 0.00 C ATOM 667 CD1 TYR A 46 -2.850 -10.570 -9.465 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.333 -11.913 -8.169 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.108 -11.690 -9.786 1.00 0.00 C ATOM 670 CE2 TYR A 46 -3.595 -13.038 -8.484 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.485 -12.922 -9.293 1.00 0.00 C ATOM 672 OH TYR A 46 -1.748 -14.041 -9.608 1.00 0.00 O ATOM 0 H TYR A 46 -2.353 -8.714 -7.921 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.939 -7.845 -6.865 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.819 -9.729 -8.135 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.782 -8.755 -9.159 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.552 -9.607 -9.852 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.203 -12.009 -7.537 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.238 -11.602 -10.419 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.887 -14.004 -8.098 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.147 -14.827 -9.180 1.00 0.00 H new ATOM 682 N LEU A 47 -3.157 -9.662 -5.139 1.00 0.00 N ATOM 683 CA LEU A 47 -3.051 -10.507 -3.952 1.00 0.00 C ATOM 684 C LEU A 47 -2.468 -9.736 -2.768 1.00 0.00 C ATOM 685 O LEU A 47 -2.238 -10.308 -1.705 1.00 0.00 O ATOM 686 CB LEU A 47 -2.177 -11.730 -4.240 1.00 0.00 C ATOM 687 CG LEU A 47 -2.775 -12.750 -5.209 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.821 -13.919 -5.403 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.123 -13.244 -4.705 1.00 0.00 C ATOM 0 H LEU A 47 -2.313 -9.133 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.059 -10.832 -3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.224 -11.387 -4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.963 -12.233 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.927 -12.261 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.261 -14.637 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.877 -13.555 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.640 -14.404 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.531 -13.969 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.996 -13.716 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.808 -12.401 -4.614 1.00 0.00 H new ATOM 701 N GLN A 48 -2.224 -8.441 -2.953 1.00 0.00 N ATOM 702 CA GLN A 48 -1.662 -7.619 -1.889 1.00 0.00 C ATOM 703 C GLN A 48 -2.696 -6.645 -1.338 1.00 0.00 C ATOM 704 O GLN A 48 -3.101 -5.701 -2.017 1.00 0.00 O ATOM 705 CB GLN A 48 -0.446 -6.848 -2.402 1.00 0.00 C ATOM 706 CG GLN A 48 0.739 -7.737 -2.743 1.00 0.00 C ATOM 707 CD GLN A 48 1.878 -6.974 -3.391 1.00 0.00 C ATOM 708 OE1 GLN A 48 3.029 -7.081 -2.971 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.561 -6.197 -4.421 1.00 0.00 N ATOM 0 H GLN A 48 -2.406 -7.942 -3.824 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.354 -8.283 -1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.732 -6.283 -3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.141 -6.124 -1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.100 -8.218 -1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.411 -8.531 -3.414 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.593 -6.138 -4.736 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.286 -5.659 -4.896 1.00 0.00 H new ATOM 718 N CYS A 49 -3.106 -6.870 -0.095 1.00 0.00 N ATOM 719 CA CYS A 49 -4.077 -6.004 0.558 1.00 0.00 C ATOM 720 C CYS A 49 -3.365 -5.086 1.545 1.00 0.00 C ATOM 721 O CYS A 49 -2.959 -5.516 2.624 1.00 0.00 O ATOM 722 CB CYS A 49 -5.142 -6.837 1.276 1.00 0.00 C ATOM 723 SG CYS A 49 -6.337 -5.862 2.221 1.00 0.00 S ATOM 0 H CYS A 49 -2.780 -7.646 0.480 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.573 -5.396 -0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.679 -7.433 0.538 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.647 -7.536 1.950 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.195 -6.658 2.788 1.00 0.00 H new ATOM 729 N ILE A 50 -3.199 -3.826 1.153 1.00 0.00 N ATOM 730 CA ILE A 50 -2.515 -2.842 1.985 1.00 0.00 C ATOM 731 C ILE A 50 -3.399 -2.340 3.121 1.00 0.00 C ATOM 732 O ILE A 50 -4.626 -2.313 3.007 1.00 0.00 O ATOM 733 CB ILE A 50 -2.047 -1.635 1.148 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.254 -2.109 -0.073 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.212 -0.688 1.997 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.731 -1.504 -1.375 1.00 0.00 C ATOM 0 H ILE A 50 -3.531 -3.462 0.260 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.650 -3.350 2.412 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.926 -1.094 0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.202 -1.862 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.321 -3.195 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.891 0.158 1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.810 -0.327 2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.337 -1.215 2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.124 -1.884 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.775 -1.772 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.638 -0.419 -1.328 1.00 0.00 H new ATOM 748 N ARG A 51 -2.759 -1.939 4.215 1.00 0.00 N ATOM 749 CA ARG A 51 -3.467 -1.429 5.380 1.00 0.00 C ATOM 750 C ARG A 51 -2.640 -0.358 6.086 1.00 0.00 C ATOM 751 O ARG A 51 -1.414 -0.449 6.147 1.00 0.00 O ATOM 752 CB ARG A 51 -3.781 -2.569 6.348 1.00 0.00 C ATOM 753 CG ARG A 51 -4.316 -3.810 5.659 1.00 0.00 C ATOM 754 CD ARG A 51 -4.795 -4.843 6.664 1.00 0.00 C ATOM 755 NE ARG A 51 -3.872 -5.969 6.776 1.00 0.00 N ATOM 756 CZ ARG A 51 -3.858 -6.818 7.802 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.714 -6.671 8.805 1.00 0.00 N ATOM 758 NH2 ARG A 51 -2.986 -7.816 7.824 1.00 0.00 N ATOM 0 H ARG A 51 -1.744 -1.959 4.317 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.402 -0.981 5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.877 -2.829 6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.512 -2.224 7.080 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.139 -3.535 4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.537 -4.244 5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.912 -4.372 7.640 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.778 -5.209 6.367 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.198 -6.114 6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.387 -5.905 8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.699 -7.324 9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.326 -7.934 7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.975 -8.466 8.610 1.00 0.00 H new ATOM 772 N TYR A 52 -3.317 0.655 6.616 1.00 0.00 N ATOM 773 CA TYR A 52 -2.639 1.741 7.314 1.00 0.00 C ATOM 774 C TYR A 52 -3.430 2.180 8.543 1.00 0.00 C ATOM 775 O TYR A 52 -4.617 1.882 8.668 1.00 0.00 O ATOM 776 CB TYR A 52 -2.430 2.929 6.371 1.00 0.00 C ATOM 777 CG TYR A 52 -3.713 3.629 5.980 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.270 4.605 6.797 1.00 0.00 C ATOM 779 CD2 TYR A 52 -4.366 3.314 4.795 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.441 5.247 6.445 1.00 0.00 C ATOM 781 CE2 TYR A 52 -5.537 3.953 4.435 1.00 0.00 C ATOM 782 CZ TYR A 52 -6.070 4.918 5.262 1.00 0.00 C ATOM 783 OH TYR A 52 -7.236 5.556 4.908 1.00 0.00 O ATOM 0 H TYR A 52 -4.332 0.747 6.576 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.667 1.375 7.646 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.765 3.648 6.849 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.927 2.581 5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.779 4.866 7.723 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.952 2.558 4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.862 6.002 7.092 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.032 3.697 3.510 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.550 5.210 4.047 1.00 0.00 H new ATOM 793 N GLY A 53 -2.762 2.892 9.445 1.00 0.00 N ATOM 794 CA GLY A 53 -3.418 3.363 10.651 1.00 0.00 C ATOM 795 C GLY A 53 -3.836 2.230 11.567 1.00 0.00 C ATOM 796 O GLY A 53 -3.656 1.058 11.238 1.00 0.00 O ATOM 0 H GLY A 53 -1.779 3.151 9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.745 4.031 11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.297 3.948 10.378 1.00 0.00 H new ATOM 800 N PHE A 54 -4.395 2.582 12.720 1.00 0.00 N ATOM 801 CA PHE A 54 -4.842 1.588 13.689 1.00 0.00 C ATOM 802 C PHE A 54 -6.265 1.894 14.163 1.00 0.00 C ATOM 803 O PHE A 54 -6.525 2.977 14.688 1.00 0.00 O ATOM 804 CB PHE A 54 -3.890 1.553 14.886 1.00 0.00 C ATOM 805 CG PHE A 54 -2.879 0.443 14.816 1.00 0.00 C ATOM 806 CD1 PHE A 54 -1.751 0.564 14.020 1.00 0.00 C ATOM 807 CD2 PHE A 54 -3.057 -0.721 15.546 1.00 0.00 C ATOM 808 CE1 PHE A 54 -0.819 -0.454 13.954 1.00 0.00 C ATOM 809 CE2 PHE A 54 -2.129 -1.743 15.484 1.00 0.00 C ATOM 810 CZ PHE A 54 -1.009 -1.609 14.687 1.00 0.00 C ATOM 0 H PHE A 54 -4.549 3.549 13.006 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.841 0.612 13.203 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.367 2.507 14.952 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.473 1.446 15.801 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.599 1.465 13.444 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.931 -0.831 16.171 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.056 -0.347 13.330 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.279 -2.645 16.058 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.283 -2.407 14.637 1.00 0.00 H new ATOM 820 N PRO A 55 -7.212 0.951 13.987 1.00 0.00 N ATOM 821 CA PRO A 55 -6.958 -0.358 13.369 1.00 0.00 C ATOM 822 C PRO A 55 -6.673 -0.245 11.871 1.00 0.00 C ATOM 823 O PRO A 55 -7.315 0.533 11.166 1.00 0.00 O ATOM 824 CB PRO A 55 -8.261 -1.140 13.604 1.00 0.00 C ATOM 825 CG PRO A 55 -9.040 -0.334 14.591 1.00 0.00 C ATOM 826 CD PRO A 55 -8.617 1.090 14.388 1.00 0.00 C ATOM 0 HA PRO A 55 -6.079 -0.839 13.798 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.816 -1.265 12.674 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.055 -2.139 13.989 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.112 -0.449 14.430 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.834 -0.661 15.610 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.211 1.584 13.619 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.722 1.678 15.300 1.00 0.00 H new ATOM 834 N PRO A 56 -5.700 -1.025 11.361 1.00 0.00 N ATOM 835 CA PRO A 56 -5.334 -1.006 9.945 1.00 0.00 C ATOM 836 C PRO A 56 -6.542 -1.137 9.030 1.00 0.00 C ATOM 837 O PRO A 56 -7.376 -2.027 9.200 1.00 0.00 O ATOM 838 CB PRO A 56 -4.418 -2.221 9.796 1.00 0.00 C ATOM 839 CG PRO A 56 -3.826 -2.411 11.146 1.00 0.00 C ATOM 840 CD PRO A 56 -4.882 -1.980 12.127 1.00 0.00 C ATOM 0 HA PRO A 56 -4.865 -0.064 9.661 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.976 -3.102 9.480 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.647 -2.047 9.046 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.546 -3.452 11.306 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.920 -1.816 11.262 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.475 -2.826 12.475 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.443 -1.514 13.009 1.00 0.00 H new ATOM 848 N LYS A 57 -6.621 -0.242 8.060 1.00 0.00 N ATOM 849 CA LYS A 57 -7.720 -0.239 7.101 1.00 0.00 C ATOM 850 C LYS A 57 -7.392 -1.126 5.903 1.00 0.00 C ATOM 851 O LYS A 57 -6.296 -1.674 5.810 1.00 0.00 O ATOM 852 CB LYS A 57 -8.013 1.187 6.631 1.00 0.00 C ATOM 853 CG LYS A 57 -8.684 2.050 7.688 1.00 0.00 C ATOM 854 CD LYS A 57 -8.366 3.524 7.489 1.00 0.00 C ATOM 855 CE LYS A 57 -9.540 4.271 6.878 1.00 0.00 C ATOM 856 NZ LYS A 57 -9.205 5.692 6.587 1.00 0.00 N ATOM 0 H LYS A 57 -5.934 0.497 7.913 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.606 -0.637 7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.079 1.660 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.651 1.146 5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.763 1.901 7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.354 1.736 8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.107 3.974 8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.494 3.625 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.846 3.775 5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.390 4.231 7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.074 6.212 6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.762 6.123 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.545 5.736 5.785 1.00 0.00 H new ATOM 870 N GLU A 58 -8.347 -1.266 4.993 1.00 0.00 N ATOM 871 CA GLU A 58 -8.155 -2.092 3.805 1.00 0.00 C ATOM 872 C GLU A 58 -7.627 -1.267 2.633 1.00 0.00 C ATOM 873 O GLU A 58 -7.082 -1.815 1.676 1.00 0.00 O ATOM 874 CB GLU A 58 -9.468 -2.770 3.412 1.00 0.00 C ATOM 875 CG GLU A 58 -9.335 -3.717 2.230 1.00 0.00 C ATOM 876 CD GLU A 58 -10.239 -4.928 2.348 1.00 0.00 C ATOM 877 OE1 GLU A 58 -11.191 -4.884 3.156 1.00 0.00 O ATOM 878 OE2 GLU A 58 -9.996 -5.922 1.632 1.00 0.00 O ATOM 0 H GLU A 58 -9.262 -0.819 5.053 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.414 -2.854 4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.852 -3.324 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.205 -2.004 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.571 -3.180 1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.300 -4.048 2.149 1.00 0.00 H new ATOM 885 N LEU A 59 -7.794 0.052 2.710 1.00 0.00 N ATOM 886 CA LEU A 59 -7.336 0.943 1.650 1.00 0.00 C ATOM 887 C LEU A 59 -7.984 0.573 0.319 1.00 0.00 C ATOM 888 O LEU A 59 -7.339 0.004 -0.562 1.00 0.00 O ATOM 889 CB LEU A 59 -5.811 0.885 1.529 1.00 0.00 C ATOM 890 CG LEU A 59 -5.192 1.851 0.511 1.00 0.00 C ATOM 891 CD1 LEU A 59 -5.900 3.198 0.540 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.706 2.024 0.784 1.00 0.00 C ATOM 0 H LEU A 59 -8.242 0.525 3.495 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.630 1.961 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.378 1.090 2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.524 -0.132 1.260 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.317 1.425 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.443 3.865 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.954 3.061 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.812 3.634 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.280 2.712 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.565 2.426 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.207 1.058 0.707 1.00 0.00 H new ATOM 904 N MET A 60 -9.265 0.897 0.185 1.00 0.00 N ATOM 905 CA MET A 60 -10.009 0.597 -1.033 1.00 0.00 C ATOM 906 C MET A 60 -9.473 1.396 -2.217 1.00 0.00 C ATOM 907 O MET A 60 -8.872 2.456 -2.042 1.00 0.00 O ATOM 908 CB MET A 60 -11.495 0.899 -0.832 1.00 0.00 C ATOM 909 CG MET A 60 -11.775 2.345 -0.463 1.00 0.00 C ATOM 910 SD MET A 60 -13.454 2.594 0.149 1.00 0.00 S ATOM 911 CE MET A 60 -13.362 4.293 0.709 1.00 0.00 C ATOM 0 H MET A 60 -9.811 1.368 0.906 1.00 0.00 H new ATOM 0 HA MET A 60 -9.883 -0.464 -1.251 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.034 0.655 -1.747 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.887 0.250 -0.049 1.00 0.00 H new ATOM 0 HG2 MET A 60 -11.064 2.666 0.298 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.614 2.977 -1.337 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.327 4.595 1.116 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.599 4.380 1.482 1.00 0.00 H new ATOM 0 HE3 MET A 60 -13.104 4.939 -0.130 1.00 0.00 H new ATOM 921 N PRO A 61 -9.688 0.895 -3.446 1.00 0.00 N ATOM 922 CA PRO A 61 -9.227 1.563 -4.665 1.00 0.00 C ATOM 923 C PRO A 61 -10.039 2.814 -4.982 1.00 0.00 C ATOM 924 O PRO A 61 -11.231 2.884 -4.684 1.00 0.00 O ATOM 925 CB PRO A 61 -9.432 0.504 -5.749 1.00 0.00 C ATOM 926 CG PRO A 61 -10.538 -0.352 -5.238 1.00 0.00 C ATOM 927 CD PRO A 61 -10.398 -0.366 -3.739 1.00 0.00 C ATOM 0 HA PRO A 61 -8.197 1.908 -4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.693 0.960 -6.704 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.524 -0.077 -5.911 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.508 0.047 -5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.470 -1.361 -5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.369 -0.403 -3.246 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.833 -1.233 -3.397 1.00 0.00 H new ATOM 935 N PRO A 62 -9.400 3.825 -5.596 1.00 0.00 N ATOM 936 CA PRO A 62 -10.067 5.079 -5.955 1.00 0.00 C ATOM 937 C PRO A 62 -11.238 4.858 -6.906 1.00 0.00 C ATOM 938 O PRO A 62 -11.620 3.721 -7.184 1.00 0.00 O ATOM 939 CB PRO A 62 -8.966 5.897 -6.641 1.00 0.00 C ATOM 940 CG PRO A 62 -7.918 4.909 -7.021 1.00 0.00 C ATOM 941 CD PRO A 62 -7.982 3.824 -5.988 1.00 0.00 C ATOM 0 HA PRO A 62 -10.495 5.573 -5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.352 6.417 -7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.565 6.657 -5.970 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.101 4.510 -8.019 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.932 5.373 -7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.676 2.860 -6.395 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.329 4.034 -5.141 1.00 0.00 H new ATOM 949 N GLN A 63 -11.803 5.953 -7.403 1.00 0.00 N ATOM 950 CA GLN A 63 -12.931 5.881 -8.325 1.00 0.00 C ATOM 951 C GLN A 63 -12.667 6.722 -9.570 1.00 0.00 C ATOM 952 O GLN A 63 -11.543 7.169 -9.802 1.00 0.00 O ATOM 953 CB GLN A 63 -14.210 6.356 -7.630 1.00 0.00 C ATOM 954 CG GLN A 63 -15.235 5.252 -7.424 1.00 0.00 C ATOM 955 CD GLN A 63 -15.774 5.213 -6.007 1.00 0.00 C ATOM 956 OE1 GLN A 63 -16.597 6.042 -5.620 1.00 0.00 O ATOM 957 NE2 GLN A 63 -15.310 4.246 -5.224 1.00 0.00 N ATOM 0 H GLN A 63 -11.498 6.901 -7.183 1.00 0.00 H new ATOM 0 HA GLN A 63 -13.058 4.843 -8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.950 6.785 -6.662 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.660 7.153 -8.221 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -16.062 5.395 -8.119 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.781 4.290 -7.662 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.628 3.580 -5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.636 4.170 -4.260 1.00 0.00 H new ATOM 966 N ALA A 64 -13.708 6.931 -10.371 1.00 0.00 N ATOM 967 CA ALA A 64 -13.587 7.718 -11.592 1.00 0.00 C ATOM 968 C ALA A 64 -13.079 9.125 -11.292 1.00 0.00 C ATOM 969 O ALA A 64 -13.827 9.977 -10.815 1.00 0.00 O ATOM 970 CB ALA A 64 -14.925 7.781 -12.313 1.00 0.00 C ATOM 0 H ALA A 64 -14.644 6.566 -10.196 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.860 7.228 -12.239 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.820 8.372 -13.223 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.248 6.772 -12.570 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.667 8.244 -11.663 1.00 0.00 H new ATOM 976 N GLY A 65 -11.801 9.359 -11.576 1.00 0.00 N ATOM 977 CA GLY A 65 -11.213 10.663 -11.329 1.00 0.00 C ATOM 978 C GLY A 65 -10.141 10.624 -10.259 1.00 0.00 C ATOM 979 O GLY A 65 -9.151 11.351 -10.335 1.00 0.00 O ATOM 0 H GLY A 65 -11.163 8.669 -11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.784 11.045 -12.255 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.996 11.360 -11.029 1.00 0.00 H new ATOM 983 N MET A 66 -10.337 9.770 -9.260 1.00 0.00 N ATOM 984 CA MET A 66 -9.378 9.637 -8.168 1.00 0.00 C ATOM 985 C MET A 66 -8.289 8.620 -8.509 1.00 0.00 C ATOM 986 O MET A 66 -7.270 8.540 -7.823 1.00 0.00 O ATOM 987 CB MET A 66 -10.096 9.223 -6.881 1.00 0.00 C ATOM 988 CG MET A 66 -10.377 10.384 -5.941 1.00 0.00 C ATOM 989 SD MET A 66 -10.784 9.842 -4.270 1.00 0.00 S ATOM 990 CE MET A 66 -9.239 10.165 -3.424 1.00 0.00 C ATOM 0 H MET A 66 -11.151 9.160 -9.183 1.00 0.00 H new ATOM 0 HA MET A 66 -8.903 10.607 -8.018 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.038 8.740 -7.140 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.490 8.482 -6.359 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.505 11.036 -5.905 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.202 10.976 -6.338 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.332 9.881 -2.376 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.442 9.585 -3.888 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.002 11.227 -3.492 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.506 7.845 -9.570 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.537 6.839 -9.994 1.00 0.00 C ATOM 1002 C GLU A 67 -6.152 7.454 -10.179 1.00 0.00 C ATOM 1003 O GLU A 67 -5.136 6.777 -10.020 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.993 6.180 -11.296 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.340 7.174 -12.392 1.00 0.00 C ATOM 1006 CD GLU A 67 -8.690 6.498 -13.703 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -9.824 5.992 -13.826 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -7.828 6.474 -14.606 1.00 0.00 O ATOM 0 H GLU A 67 -9.343 7.895 -10.150 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.474 6.082 -9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.205 5.518 -11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.864 5.557 -11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.181 7.787 -12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.496 7.846 -12.548 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.119 8.739 -10.517 1.00 0.00 N ATOM 1016 CA LYS A 68 -4.859 9.445 -10.722 1.00 0.00 C ATOM 1017 C LYS A 68 -4.292 9.954 -9.400 1.00 0.00 C ATOM 1018 O LYS A 68 -3.096 10.223 -9.292 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.057 10.614 -11.688 1.00 0.00 C ATOM 1020 CG LYS A 68 -5.643 10.203 -13.029 1.00 0.00 C ATOM 1021 CD LYS A 68 -6.186 11.401 -13.790 1.00 0.00 C ATOM 1022 CE LYS A 68 -7.532 11.850 -13.242 1.00 0.00 C ATOM 1023 NZ LYS A 68 -8.582 11.872 -14.298 1.00 0.00 N ATOM 0 H LYS A 68 -6.951 9.313 -10.655 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.146 8.741 -11.152 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.714 11.350 -11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.097 11.103 -11.855 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.877 9.708 -13.626 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.442 9.478 -12.871 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.475 12.225 -13.729 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.289 11.146 -14.845 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.839 11.180 -12.439 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.433 12.845 -12.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.484 12.183 -13.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.302 12.531 -15.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.695 10.918 -14.696 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.155 10.087 -8.397 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.731 10.565 -7.085 1.00 0.00 C ATOM 1039 C GLU A 69 -3.805 9.555 -6.413 1.00 0.00 C ATOM 1040 O GLU A 69 -3.976 8.346 -6.566 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.948 10.830 -6.198 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.734 12.068 -6.597 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.358 13.287 -5.775 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -5.287 13.873 -6.039 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.136 13.654 -4.869 1.00 0.00 O ATOM 0 H GLU A 69 -6.149 9.871 -8.467 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.183 11.497 -7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.608 9.964 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.618 10.937 -5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.562 12.279 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.800 11.871 -6.481 1.00 0.00 H new ATOM 1052 N PRO A 70 -2.804 10.039 -5.656 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.849 9.170 -4.964 1.00 0.00 C ATOM 1054 C PRO A 70 -2.462 8.468 -3.757 1.00 0.00 C ATOM 1055 O PRO A 70 -3.591 8.758 -3.362 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.753 10.138 -4.518 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.447 11.447 -4.368 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.524 11.468 -5.420 1.00 0.00 C ATOM 0 HA PRO A 70 -1.494 8.364 -5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.300 9.819 -3.579 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.048 10.196 -5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.874 11.550 -3.370 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.752 12.275 -4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.411 11.999 -5.075 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.187 11.966 -6.329 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.706 7.540 -3.181 1.00 0.00 N ATOM 1067 CA VAL A 71 -2.164 6.786 -2.020 1.00 0.00 C ATOM 1068 C VAL A 71 -2.222 7.665 -0.773 1.00 0.00 C ATOM 1069 O VAL A 71 -1.610 8.731 -0.725 1.00 0.00 O ATOM 1070 CB VAL A 71 -1.253 5.572 -1.742 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.579 4.429 -2.692 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.215 5.962 -1.848 1.00 0.00 C ATOM 0 H VAL A 71 -0.770 7.291 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.168 6.431 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.439 5.232 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.926 3.582 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.618 4.129 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.427 4.756 -3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.838 5.090 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.421 6.333 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.438 6.742 -1.120 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.964 7.221 0.260 1.00 0.00 N ATOM 1083 CA PRO A 72 -3.105 7.968 1.521 1.00 0.00 C ATOM 1084 C PRO A 72 -1.819 7.997 2.343 1.00 0.00 C ATOM 1085 O PRO A 72 -1.758 8.637 3.393 1.00 0.00 O ATOM 1086 CB PRO A 72 -4.181 7.179 2.273 1.00 0.00 C ATOM 1087 CG PRO A 72 -4.064 5.797 1.738 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.728 5.958 0.285 1.00 0.00 C ATOM 0 HA PRO A 72 -3.351 9.014 1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.013 7.204 3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.174 7.592 2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.288 5.238 2.261 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.996 5.246 1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.137 5.121 -0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.624 6.016 -0.333 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.801 7.287 1.873 1.00 0.00 N ATOM 1097 CA LEU A 73 0.474 7.216 2.576 1.00 0.00 C ATOM 1098 C LEU A 73 1.479 8.206 1.993 1.00 0.00 C ATOM 1099 O LEU A 73 1.437 8.520 0.803 1.00 0.00 O ATOM 1100 CB LEU A 73 1.025 5.790 2.504 1.00 0.00 C ATOM 1101 CG LEU A 73 -0.041 4.695 2.393 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.572 3.390 1.919 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.752 4.507 3.725 1.00 0.00 C ATOM 0 H LEU A 73 -0.834 6.751 1.006 1.00 0.00 H new ATOM 0 HA LEU A 73 0.309 7.485 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.693 5.716 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.627 5.603 3.393 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.777 5.008 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.204 2.628 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.027 3.536 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.334 3.067 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.506 3.726 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.027 4.220 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.233 5.441 4.016 1.00 0.00 H new ATOM 1115 N GLN A 74 2.374 8.701 2.843 1.00 0.00 N ATOM 1116 CA GLN A 74 3.382 9.665 2.413 1.00 0.00 C ATOM 1117 C GLN A 74 4.780 9.244 2.858 1.00 0.00 C ATOM 1118 O GLN A 74 4.957 8.208 3.496 1.00 0.00 O ATOM 1119 CB GLN A 74 3.061 11.051 2.972 1.00 0.00 C ATOM 1120 CG GLN A 74 1.794 11.662 2.394 1.00 0.00 C ATOM 1121 CD GLN A 74 1.829 11.751 0.881 1.00 0.00 C ATOM 1122 OE1 GLN A 74 2.892 11.905 0.281 1.00 0.00 O ATOM 1123 NE2 GLN A 74 0.661 11.652 0.257 1.00 0.00 N ATOM 0 H GLN A 74 2.422 8.451 3.831 1.00 0.00 H new ATOM 0 HA GLN A 74 3.364 9.699 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.960 10.982 4.055 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.900 11.718 2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.935 11.065 2.700 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.653 12.660 2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.196 11.525 0.796 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.621 11.703 -0.761 1.00 0.00 H new ATOM 1132 N HIS A 75 5.768 10.065 2.513 1.00 0.00 N ATOM 1133 CA HIS A 75 7.156 9.796 2.869 1.00 0.00 C ATOM 1134 C HIS A 75 7.320 9.663 4.379 1.00 0.00 C ATOM 1135 O HIS A 75 7.245 10.651 5.110 1.00 0.00 O ATOM 1136 CB HIS A 75 8.059 10.915 2.345 1.00 0.00 C ATOM 1137 CG HIS A 75 9.506 10.537 2.270 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.063 9.531 3.032 1.00 0.00 N ATOM 1139 CD2 HIS A 75 10.512 11.034 1.513 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.350 9.428 2.747 1.00 0.00 C ATOM 1141 NE2 HIS A 75 11.647 10.328 1.829 1.00 0.00 N ATOM 0 H HIS A 75 5.631 10.926 1.984 1.00 0.00 H new ATOM 0 HA HIS A 75 7.446 8.852 2.409 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.718 11.210 1.353 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.954 11.787 2.991 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.436 11.836 0.794 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.041 8.726 3.190 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.570 10.476 1.420 1.00 0.00 H new ATOM 1150 N GLY A 76 7.550 8.439 4.838 1.00 0.00 N ATOM 1151 CA GLY A 76 7.728 8.203 6.259 1.00 0.00 C ATOM 1152 C GLY A 76 6.544 7.501 6.895 1.00 0.00 C ATOM 1153 O GLY A 76 6.453 7.417 8.120 1.00 0.00 O ATOM 0 H GLY A 76 7.616 7.606 4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.625 7.603 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.892 9.156 6.762 1.00 0.00 H new ATOM 1157 N ASP A 77 5.632 6.992 6.070 1.00 0.00 N ATOM 1158 CA ASP A 77 4.456 6.297 6.578 1.00 0.00 C ATOM 1159 C ASP A 77 4.733 4.806 6.737 1.00 0.00 C ATOM 1160 O ASP A 77 5.844 4.337 6.490 1.00 0.00 O ATOM 1161 CB ASP A 77 3.262 6.510 5.644 1.00 0.00 C ATOM 1162 CG ASP A 77 2.022 6.967 6.386 1.00 0.00 C ATOM 1163 OD1 ASP A 77 2.167 7.689 7.396 1.00 0.00 O ATOM 1164 OD2 ASP A 77 0.907 6.603 5.959 1.00 0.00 O ATOM 0 H ASP A 77 5.685 7.048 5.053 1.00 0.00 H new ATOM 0 HA ASP A 77 4.217 6.712 7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.523 7.250 4.888 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.045 5.580 5.118 1.00 0.00 H new ATOM 1169 N ARG A 78 3.709 4.067 7.147 1.00 0.00 N ATOM 1170 CA ARG A 78 3.828 2.627 7.338 1.00 0.00 C ATOM 1171 C ARG A 78 2.536 1.931 6.942 1.00 0.00 C ATOM 1172 O ARG A 78 1.447 2.483 7.103 1.00 0.00 O ATOM 1173 CB ARG A 78 4.176 2.306 8.793 1.00 0.00 C ATOM 1174 CG ARG A 78 3.232 2.945 9.800 1.00 0.00 C ATOM 1175 CD ARG A 78 3.700 4.335 10.202 1.00 0.00 C ATOM 1176 NE ARG A 78 4.715 4.291 11.254 1.00 0.00 N ATOM 1177 CZ ARG A 78 6.026 4.367 11.032 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.498 4.484 9.796 1.00 0.00 N ATOM 1179 NH2 ARG A 78 6.873 4.324 12.052 1.00 0.00 N ATOM 0 H ARG A 78 2.784 4.443 7.354 1.00 0.00 H new ATOM 0 HA ARG A 78 4.632 2.261 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.163 1.225 8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.193 2.641 8.997 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.231 3.007 9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.162 2.314 10.686 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.105 4.847 9.329 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.846 4.919 10.547 1.00 0.00 H new ATOM 0 HE ARG A 78 4.399 4.196 12.219 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.854 4.516 9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.504 4.541 9.638 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.520 4.233 13.005 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.877 4.382 11.884 1.00 0.00 H new ATOM 1193 N ILE A 79 2.661 0.722 6.411 1.00 0.00 N ATOM 1194 CA ILE A 79 1.496 -0.033 5.979 1.00 0.00 C ATOM 1195 C ILE A 79 1.676 -1.527 6.200 1.00 0.00 C ATOM 1196 O ILE A 79 2.776 -1.999 6.487 1.00 0.00 O ATOM 1197 CB ILE A 79 1.194 0.214 4.490 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.492 0.371 3.693 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.313 1.440 4.328 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.285 0.376 2.194 1.00 0.00 C ATOM 0 H ILE A 79 3.552 0.247 6.270 1.00 0.00 H new ATOM 0 HA ILE A 79 0.660 0.316 6.585 1.00 0.00 H new ATOM 0 HB ILE A 79 0.659 -0.651 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.979 1.301 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.170 -0.441 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.107 1.603 3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.625 1.287 4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.824 2.312 4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.247 0.491 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.826 -0.564 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.632 1.205 1.920 1.00 0.00 H new ATOM 1212 N THR A 80 0.582 -2.264 6.055 1.00 0.00 N ATOM 1213 CA THR A 80 0.601 -3.708 6.225 1.00 0.00 C ATOM 1214 C THR A 80 -0.127 -4.389 5.074 1.00 0.00 C ATOM 1215 O THR A 80 -1.270 -4.053 4.763 1.00 0.00 O ATOM 1216 CB THR A 80 -0.047 -4.100 7.551 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.571 -3.426 8.632 1.00 0.00 O ATOM 1218 CG2 THR A 80 0.023 -5.585 7.833 1.00 0.00 C ATOM 0 H THR A 80 -0.333 -1.881 5.819 1.00 0.00 H new ATOM 0 HA THR A 80 1.640 -4.036 6.230 1.00 0.00 H new ATOM 0 HB THR A 80 -1.094 -3.813 7.457 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.140 -3.690 9.472 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.455 -5.797 8.789 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.491 -6.130 7.042 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.066 -5.899 7.871 1.00 0.00 H new ATOM 1226 N ILE A 81 0.544 -5.340 4.440 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.036 -6.063 3.320 1.00 0.00 C ATOM 1228 C ILE A 81 -0.559 -7.427 3.750 1.00 0.00 C ATOM 1229 O ILE A 81 -0.092 -8.004 4.730 1.00 0.00 O ATOM 1230 CB ILE A 81 0.989 -6.255 2.188 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.655 -4.922 1.845 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.319 -6.852 0.960 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.673 -3.830 1.484 1.00 0.00 C ATOM 0 H ILE A 81 1.492 -5.628 4.683 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.867 -5.460 2.954 1.00 0.00 H new ATOM 0 HB ILE A 81 1.759 -6.948 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.253 -4.595 2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.341 -5.072 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.058 -6.981 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.112 -7.820 1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.469 -6.183 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.216 -2.914 1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.092 -4.136 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.002 -3.652 2.324 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.531 -7.939 3.007 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.111 -9.240 3.308 1.00 0.00 C ATOM 1247 C GLU A 82 -2.256 -10.069 2.034 1.00 0.00 C ATOM 1248 O GLU A 82 -2.998 -9.700 1.123 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.471 -9.069 4.000 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.411 -10.256 3.833 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.694 -10.101 4.627 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -5.637 -9.545 5.745 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -6.755 -10.534 4.132 1.00 0.00 O ATOM 0 H GLU A 82 -1.933 -7.474 2.193 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.442 -9.771 3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.306 -8.898 5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.957 -8.177 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.654 -10.376 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.901 -11.166 4.149 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.546 -11.192 1.980 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.602 -12.071 0.820 1.00 0.00 C ATOM 1262 C ILE A 83 -2.997 -12.665 0.658 1.00 0.00 C ATOM 1263 O ILE A 83 -3.400 -13.543 1.420 1.00 0.00 O ATOM 1264 CB ILE A 83 -0.574 -13.217 0.924 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.849 -12.655 0.986 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -0.723 -14.171 -0.257 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.493 -12.774 2.351 1.00 0.00 C ATOM 0 H ILE A 83 -0.927 -11.513 2.725 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.360 -11.463 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.764 -13.772 1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.468 -13.176 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.828 -11.605 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.009 -14.974 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.728 -14.594 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.557 -13.627 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.499 -12.355 2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.897 -12.229 3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.547 -13.824 2.637 1.00 0.00 H new ATOM 1279 N LEU A 84 -3.725 -12.181 -0.340 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.071 -12.670 -0.601 1.00 0.00 C ATOM 1281 C LEU A 84 -5.030 -14.085 -1.170 1.00 0.00 C ATOM 1282 O LEU A 84 -3.956 -14.645 -1.384 1.00 0.00 O ATOM 1283 CB LEU A 84 -5.803 -11.729 -1.560 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.885 -10.272 -1.101 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.754 -9.461 -2.048 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.421 -10.189 0.321 1.00 0.00 C ATOM 0 H LEU A 84 -3.407 -11.453 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.615 -12.697 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.304 -11.761 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.815 -12.104 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.880 -9.851 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.800 -8.428 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.327 -9.492 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.759 -9.881 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.472 -9.145 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.418 -10.628 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.757 -10.734 0.992 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.203 -14.659 -1.408 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.295 -16.011 -1.944 1.00 0.00 C ATOM 1300 C LYS A 85 -6.428 -15.988 -3.461 1.00 0.00 C ATOM 1301 O LYS A 85 -7.519 -15.803 -4.001 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.486 -16.747 -1.326 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.281 -18.249 -1.217 1.00 0.00 C ATOM 1304 CD LYS A 85 -6.873 -18.656 0.189 1.00 0.00 C ATOM 1305 CE LYS A 85 -5.517 -18.081 0.563 1.00 0.00 C ATOM 1306 NZ LYS A 85 -4.772 -18.975 1.492 1.00 0.00 N ATOM 0 H LYS A 85 -7.103 -14.210 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.377 -16.540 -1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.678 -16.342 -0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.375 -16.552 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.201 -18.764 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.515 -18.565 -1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.624 -18.313 0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.840 -19.743 0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.928 -17.924 -0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.653 -17.105 1.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.853 -18.547 1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.322 -19.105 2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.620 -19.898 1.038 1.00 0.00 H new ATOM 1320 N GLY A 86 -5.306 -16.181 -4.140 1.00 0.00 N ATOM 1321 CA GLY A 86 -5.303 -16.183 -5.591 1.00 0.00 C ATOM 1322 C GLY A 86 -4.368 -17.228 -6.168 1.00 0.00 C ATOM 1323 O GLY A 86 -4.238 -18.310 -5.557 1.00 0.00 O ATOM 1324 OXT GLY A 86 -3.766 -16.964 -7.230 1.00 0.00 O ATOM 0 H GLY A 86 -4.394 -16.337 -3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.315 -16.366 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.008 -15.198 -5.952 1.00 0.00 H new TER 1328 GLY A 86