USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 853 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 Single : A 1 MET CE :methyl 159:sc= -0.198 (180deg=-0.882) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00328 (180deg=-0.135) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= -0.0156 (180deg=-0.153) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -161:sc= -0.104 (180deg=-0.589) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -48:sc= 0.985 USER MOD Single : A 33 ASN : amide:sc= -2.14! C(o=-2.1!,f=-2.7!) USER MOD Single : A 48 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.5) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.76 F(o=-2.8!,f=-1.8) USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= -0.0727 (180deg=-0.404) USER MOD Single : A 66 SER OG : rot 100:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 128:sc= -1.45 USER MOD Single : A 79 GLN :FLIP amide:sc= -1.53 F(o=-4.7!,f=-1.5) USER MOD Single : A 89 MET CE :methyl -124:sc= -2.51 (180deg=-6.92!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 107 TYR OH : rot -2:sc= -1.36! USER MOD Single : A 110 THR OG1 : rot -79:sc= 1.13 USER MOD Single : A 111 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.278 12.823 4.135 1.00 0.00 N ATOM 2 CA MET A 1 -20.475 12.174 3.066 1.00 0.00 C ATOM 3 C MET A 1 -20.002 13.201 2.044 1.00 0.00 C ATOM 4 O MET A 1 -18.886 13.114 1.531 1.00 0.00 O ATOM 5 CB MET A 1 -21.302 11.091 2.368 1.00 0.00 C ATOM 6 CG MET A 1 -20.551 10.372 1.260 1.00 0.00 C ATOM 7 SD MET A 1 -21.570 9.155 0.404 1.00 0.00 S ATOM 8 CE MET A 1 -22.863 10.200 -0.262 1.00 0.00 C ATOM 0 H1 MET A 1 -21.432 12.149 4.912 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.769 13.655 4.495 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.196 13.120 3.748 1.00 0.00 H new ATOM 0 HA MET A 1 -19.600 11.716 3.528 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.627 10.360 3.108 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.201 11.544 1.951 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.185 11.104 0.540 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.677 9.876 1.682 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.345 9.694 -1.098 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.601 10.404 0.513 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.430 11.139 -0.607 1.00 0.00 H new ATOM 18 N ALA A 2 -20.859 14.175 1.752 1.00 0.00 N ATOM 19 CA ALA A 2 -20.529 15.221 0.792 1.00 0.00 C ATOM 20 C ALA A 2 -19.601 16.257 1.412 1.00 0.00 C ATOM 21 O ALA A 2 -19.994 16.993 2.318 1.00 0.00 O ATOM 22 CB ALA A 2 -21.797 15.885 0.279 1.00 0.00 C ATOM 0 H ALA A 2 -21.787 14.261 2.167 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.009 14.760 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -21.536 16.664 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -22.426 15.140 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.340 16.327 1.114 1.00 0.00 H new ATOM 28 N ASP A 3 -18.366 16.308 0.918 1.00 0.00 N ATOM 29 CA ASP A 3 -17.375 17.253 1.420 1.00 0.00 C ATOM 30 C ASP A 3 -17.154 17.063 2.918 1.00 0.00 C ATOM 31 O ASP A 3 -17.773 17.739 3.741 1.00 0.00 O ATOM 32 CB ASP A 3 -17.812 18.690 1.127 1.00 0.00 C ATOM 33 CG ASP A 3 -18.061 18.927 -0.350 1.00 0.00 C ATOM 34 OD1 ASP A 3 -17.075 19.099 -1.098 1.00 0.00 O ATOM 35 OD2 ASP A 3 -19.241 18.936 -0.758 1.00 0.00 O ATOM 0 H ASP A 3 -18.028 15.704 0.169 1.00 0.00 H new ATOM 0 HA ASP A 3 -16.432 17.062 0.907 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -18.721 18.912 1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -17.045 19.379 1.479 1.00 0.00 H new ATOM 40 N GLU A 4 -16.271 16.131 3.263 1.00 0.00 N ATOM 41 CA GLU A 4 -15.964 15.842 4.659 1.00 0.00 C ATOM 42 C GLU A 4 -14.543 15.302 4.796 1.00 0.00 C ATOM 43 O GLU A 4 -13.691 15.925 5.430 1.00 0.00 O ATOM 44 CB GLU A 4 -16.966 14.828 5.219 1.00 0.00 C ATOM 45 CG GLU A 4 -16.779 14.537 6.700 1.00 0.00 C ATOM 46 CD GLU A 4 -17.043 15.749 7.570 1.00 0.00 C ATOM 47 OE1 GLU A 4 -16.098 16.533 7.799 1.00 0.00 O ATOM 48 OE2 GLU A 4 -18.195 15.914 8.025 1.00 0.00 O ATOM 0 H GLU A 4 -15.754 15.562 2.593 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.039 16.769 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.977 15.202 5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.877 13.896 4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.449 13.730 6.995 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.762 14.186 6.872 1.00 0.00 H new ATOM 55 N ASN A 5 -14.298 14.140 4.198 1.00 0.00 N ATOM 56 CA ASN A 5 -12.981 13.514 4.245 1.00 0.00 C ATOM 57 C ASN A 5 -12.496 13.174 2.840 1.00 0.00 C ATOM 58 O ASN A 5 -13.053 12.302 2.173 1.00 0.00 O ATOM 59 CB ASN A 5 -13.022 12.248 5.103 1.00 0.00 C ATOM 60 CG ASN A 5 -13.391 12.535 6.546 1.00 0.00 C ATOM 61 OD1 ASN A 5 -13.086 13.604 7.076 1.00 0.00 O ATOM 62 ND2 ASN A 5 -14.049 11.579 7.189 1.00 0.00 N ATOM 0 H ASN A 5 -14.996 13.612 3.674 1.00 0.00 H new ATOM 0 HA ASN A 5 -12.284 14.222 4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -13.743 11.549 4.679 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.048 11.760 5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -14.323 11.714 8.162 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -14.281 10.709 6.710 1.00 0.00 H new ATOM 69 N LYS A 6 -11.453 13.869 2.396 1.00 0.00 N ATOM 70 CA LYS A 6 -10.892 13.646 1.068 1.00 0.00 C ATOM 71 C LYS A 6 -9.918 12.471 1.067 1.00 0.00 C ATOM 72 O LYS A 6 -9.066 12.361 0.183 1.00 0.00 O ATOM 73 CB LYS A 6 -10.187 14.911 0.575 1.00 0.00 C ATOM 74 CG LYS A 6 -9.127 15.427 1.535 1.00 0.00 C ATOM 75 CD LYS A 6 -8.463 16.688 1.008 1.00 0.00 C ATOM 76 CE LYS A 6 -7.516 17.288 2.034 1.00 0.00 C ATOM 77 NZ LYS A 6 -6.460 16.323 2.447 1.00 0.00 N ATOM 0 H LYS A 6 -10.979 14.592 2.937 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.713 13.405 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.723 14.706 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.930 15.692 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.582 15.632 2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.372 14.657 1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.914 16.457 0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.227 17.420 0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.049 18.181 1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.083 17.603 2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.732 16.820 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.884 15.573 3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.026 15.901 1.602 1.00 0.00 H new ATOM 91 N TRP A 7 -10.050 11.590 2.055 1.00 0.00 N ATOM 92 CA TRP A 7 -9.180 10.423 2.158 1.00 0.00 C ATOM 93 C TRP A 7 -9.979 9.179 2.535 1.00 0.00 C ATOM 94 O TRP A 7 -9.424 8.196 3.027 1.00 0.00 O ATOM 95 CB TRP A 7 -8.064 10.668 3.178 1.00 0.00 C ATOM 96 CG TRP A 7 -8.560 10.969 4.560 1.00 0.00 C ATOM 97 CD1 TRP A 7 -9.166 12.117 4.986 1.00 0.00 C ATOM 98 CD2 TRP A 7 -8.479 10.110 5.702 1.00 0.00 C ATOM 99 NE1 TRP A 7 -9.470 12.022 6.322 1.00 0.00 N ATOM 100 CE2 TRP A 7 -9.057 10.798 6.785 1.00 0.00 C ATOM 101 CE3 TRP A 7 -7.976 8.823 5.914 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -9.144 10.244 8.060 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -8.063 8.274 7.179 1.00 0.00 C ATOM 104 CH2 TRP A 7 -8.643 8.983 8.238 1.00 0.00 C ATOM 0 H TRP A 7 -10.749 11.662 2.794 1.00 0.00 H new ATOM 0 HA TRP A 7 -8.726 10.256 1.181 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.421 9.789 3.217 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.447 11.499 2.835 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.375 12.974 4.363 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -9.928 12.743 6.879 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.527 8.268 5.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -9.590 10.790 8.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -7.677 7.281 7.354 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -8.696 8.526 9.215 1.00 0.00 H new ATOM 115 N VAL A 8 -11.286 9.229 2.293 1.00 0.00 N ATOM 116 CA VAL A 8 -12.169 8.108 2.599 1.00 0.00 C ATOM 117 C VAL A 8 -13.105 7.820 1.429 1.00 0.00 C ATOM 118 O VAL A 8 -13.478 6.671 1.186 1.00 0.00 O ATOM 119 CB VAL A 8 -13.002 8.383 3.867 1.00 0.00 C ATOM 120 CG1 VAL A 8 -13.924 7.212 4.173 1.00 0.00 C ATOM 121 CG2 VAL A 8 -12.091 8.674 5.051 1.00 0.00 C ATOM 0 H VAL A 8 -11.758 10.036 1.885 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.538 7.237 2.776 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.621 9.262 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.502 7.429 5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.603 7.055 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.329 6.313 4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.696 8.866 5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.444 7.816 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.479 9.549 4.833 1.00 0.00 H new ATOM 131 N ARG A 9 -13.479 8.872 0.703 1.00 0.00 N ATOM 132 CA ARG A 9 -14.366 8.737 -0.447 1.00 0.00 C ATOM 133 C ARG A 9 -13.572 8.662 -1.738 1.00 0.00 C ATOM 134 O ARG A 9 -14.140 8.532 -2.822 1.00 0.00 O ATOM 135 CB ARG A 9 -15.356 9.901 -0.503 1.00 0.00 C ATOM 136 CG ARG A 9 -14.686 11.267 -0.541 1.00 0.00 C ATOM 137 CD ARG A 9 -15.712 12.387 -0.616 1.00 0.00 C ATOM 138 NE ARG A 9 -16.495 12.327 -1.847 1.00 0.00 N ATOM 139 CZ ARG A 9 -16.979 13.398 -2.467 1.00 0.00 C ATOM 140 NH1 ARG A 9 -16.762 14.609 -1.974 1.00 0.00 N ATOM 141 NH2 ARG A 9 -17.680 13.257 -3.583 1.00 0.00 N ATOM 0 H ARG A 9 -13.180 9.829 0.893 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.925 7.808 -0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.986 9.790 -1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.013 9.851 0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.069 11.396 0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.020 11.323 -1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.380 12.325 0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.204 13.349 -0.556 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.681 11.411 -2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.222 14.721 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.135 15.429 -2.453 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.848 12.327 -3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.052 14.079 -4.059 1.00 0.00 H new ATOM 155 N ARG A 10 -12.255 8.746 -1.618 1.00 0.00 N ATOM 156 CA ARG A 10 -11.392 8.657 -2.780 1.00 0.00 C ATOM 157 C ARG A 10 -11.504 7.266 -3.383 1.00 0.00 C ATOM 158 O ARG A 10 -10.990 6.299 -2.822 1.00 0.00 O ATOM 159 CB ARG A 10 -9.943 8.965 -2.396 1.00 0.00 C ATOM 160 CG ARG A 10 -8.964 8.845 -3.552 1.00 0.00 C ATOM 161 CD ARG A 10 -7.569 9.288 -3.145 1.00 0.00 C ATOM 162 NE ARG A 10 -7.060 8.515 -2.015 1.00 0.00 N ATOM 163 CZ ARG A 10 -5.808 8.593 -1.569 1.00 0.00 C ATOM 164 NH1 ARG A 10 -4.937 9.398 -2.162 1.00 0.00 N ATOM 165 NH2 ARG A 10 -5.429 7.863 -0.528 1.00 0.00 N ATOM 0 H ARG A 10 -11.766 8.875 -0.732 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.706 9.393 -3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.891 9.976 -1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.636 8.287 -1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.933 7.812 -3.899 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.310 9.452 -4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.892 9.180 -3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.586 10.346 -2.883 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.701 7.879 -1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.225 9.960 -2.963 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.979 9.455 -1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.097 7.243 -0.070 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.470 7.922 -0.186 1.00 0.00 H new ATOM 179 N ASP A 11 -12.206 7.178 -4.513 1.00 0.00 N ATOM 180 CA ASP A 11 -12.416 5.910 -5.208 1.00 0.00 C ATOM 181 C ASP A 11 -13.432 5.041 -4.469 1.00 0.00 C ATOM 182 O ASP A 11 -13.712 3.917 -4.886 1.00 0.00 O ATOM 183 CB ASP A 11 -11.101 5.150 -5.370 1.00 0.00 C ATOM 184 CG ASP A 11 -10.121 5.871 -6.275 1.00 0.00 C ATOM 185 OD1 ASP A 11 -10.233 5.720 -7.510 1.00 0.00 O ATOM 186 OD2 ASP A 11 -9.243 6.587 -5.750 1.00 0.00 O ATOM 0 H ASP A 11 -12.642 7.979 -4.969 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.810 6.140 -6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.646 5.004 -4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.305 4.160 -5.777 1.00 0.00 H new ATOM 191 N VAL A 12 -13.980 5.563 -3.371 1.00 0.00 N ATOM 192 CA VAL A 12 -14.968 4.823 -2.594 1.00 0.00 C ATOM 193 C VAL A 12 -16.175 4.493 -3.457 1.00 0.00 C ATOM 194 O VAL A 12 -16.591 5.305 -4.285 1.00 0.00 O ATOM 195 CB VAL A 12 -15.439 5.608 -1.353 1.00 0.00 C ATOM 196 CG1 VAL A 12 -16.511 6.628 -1.722 1.00 0.00 C ATOM 197 CG2 VAL A 12 -15.949 4.657 -0.282 1.00 0.00 C ATOM 0 H VAL A 12 -13.757 6.488 -3.004 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.484 3.907 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.583 6.152 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.824 7.167 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.107 7.334 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.369 6.114 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.277 5.229 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.787 4.082 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.149 3.978 0.012 1.00 0.00 H new ATOM 207 N SER A 13 -16.737 3.307 -3.253 1.00 0.00 N ATOM 208 CA SER A 13 -17.894 2.872 -4.023 1.00 0.00 C ATOM 209 C SER A 13 -18.268 1.436 -3.675 1.00 0.00 C ATOM 210 O SER A 13 -19.447 1.104 -3.553 1.00 0.00 O ATOM 211 CB SER A 13 -17.592 2.997 -5.515 1.00 0.00 C ATOM 212 OG SER A 13 -18.715 2.633 -6.301 1.00 0.00 O ATOM 0 H SER A 13 -16.410 2.631 -2.562 1.00 0.00 H new ATOM 0 HA SER A 13 -18.742 3.510 -3.773 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.302 4.022 -5.745 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.745 2.361 -5.771 1.00 0.00 H new ATOM 0 HG SER A 13 -18.493 2.724 -7.251 1.00 0.00 H new ATOM 218 N THR A 14 -17.255 0.590 -3.518 1.00 0.00 N ATOM 219 CA THR A 14 -17.474 -0.809 -3.172 1.00 0.00 C ATOM 220 C THR A 14 -17.093 -1.057 -1.715 1.00 0.00 C ATOM 221 O THR A 14 -16.982 -0.113 -0.933 1.00 0.00 O ATOM 222 CB THR A 14 -16.666 -1.748 -4.087 1.00 0.00 C ATOM 223 OG1 THR A 14 -16.420 -1.109 -5.345 1.00 0.00 O ATOM 224 CG2 THR A 14 -17.415 -3.053 -4.322 1.00 0.00 C ATOM 0 H THR A 14 -16.274 0.849 -3.625 1.00 0.00 H new ATOM 0 HA THR A 14 -18.533 -1.024 -3.313 1.00 0.00 H new ATOM 0 HB THR A 14 -15.719 -1.971 -3.595 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.904 -1.710 -5.922 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.824 -3.700 -4.971 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.584 -3.553 -3.368 1.00 0.00 H new ATOM 0 HG23 THR A 14 -18.374 -2.842 -4.795 1.00 0.00 H new ATOM 232 N ALA A 15 -16.889 -2.319 -1.347 1.00 0.00 N ATOM 233 CA ALA A 15 -16.533 -2.652 0.027 1.00 0.00 C ATOM 234 C ALA A 15 -15.021 -2.734 0.221 1.00 0.00 C ATOM 235 O ALA A 15 -14.430 -1.897 0.898 1.00 0.00 O ATOM 236 CB ALA A 15 -17.187 -3.962 0.437 1.00 0.00 C ATOM 0 H ALA A 15 -16.963 -3.120 -1.974 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.903 -1.849 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.913 -4.199 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -18.270 -3.867 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.847 -4.760 -0.223 1.00 0.00 H new ATOM 242 N LEU A 16 -14.399 -3.749 -0.369 1.00 0.00 N ATOM 243 CA LEU A 16 -12.956 -3.933 -0.243 1.00 0.00 C ATOM 244 C LEU A 16 -12.185 -3.163 -1.312 1.00 0.00 C ATOM 245 O LEU A 16 -10.975 -2.969 -1.192 1.00 0.00 O ATOM 246 CB LEU A 16 -12.604 -5.421 -0.299 1.00 0.00 C ATOM 247 CG LEU A 16 -13.166 -6.186 -1.500 1.00 0.00 C ATOM 248 CD1 LEU A 16 -12.285 -5.991 -2.724 1.00 0.00 C ATOM 249 CD2 LEU A 16 -13.302 -7.663 -1.168 1.00 0.00 C ATOM 0 H LEU A 16 -14.868 -4.455 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.658 -3.531 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.519 -5.520 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.964 -5.896 0.613 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.155 -5.789 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.703 -6.544 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.238 -4.931 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.281 -6.359 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.703 -8.195 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.324 -8.070 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.977 -7.785 -0.321 1.00 0.00 H new ATOM 261 N SER A 17 -12.887 -2.730 -2.356 1.00 0.00 N ATOM 262 CA SER A 17 -12.258 -1.998 -3.453 1.00 0.00 C ATOM 263 C SER A 17 -11.459 -0.800 -2.948 1.00 0.00 C ATOM 264 O SER A 17 -10.285 -0.646 -3.283 1.00 0.00 O ATOM 265 CB SER A 17 -13.316 -1.528 -4.450 1.00 0.00 C ATOM 266 OG SER A 17 -12.720 -0.870 -5.554 1.00 0.00 O ATOM 0 H SER A 17 -13.891 -2.873 -2.466 1.00 0.00 H new ATOM 0 HA SER A 17 -11.567 -2.680 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.894 -2.383 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.013 -0.853 -3.954 1.00 0.00 H new ATOM 0 HG SER A 17 -13.418 -0.580 -6.178 1.00 0.00 H new ATOM 272 N ARG A 18 -12.094 0.043 -2.136 1.00 0.00 N ATOM 273 CA ARG A 18 -11.427 1.224 -1.596 1.00 0.00 C ATOM 274 C ARG A 18 -12.299 1.929 -0.563 1.00 0.00 C ATOM 275 O ARG A 18 -13.398 2.389 -0.873 1.00 0.00 O ATOM 276 CB ARG A 18 -11.074 2.198 -2.722 1.00 0.00 C ATOM 277 CG ARG A 18 -10.141 3.317 -2.289 1.00 0.00 C ATOM 278 CD ARG A 18 -8.709 2.826 -2.157 1.00 0.00 C ATOM 279 NE ARG A 18 -8.210 2.265 -3.410 1.00 0.00 N ATOM 280 CZ ARG A 18 -7.501 2.956 -4.300 1.00 0.00 C ATOM 281 NH1 ARG A 18 -7.202 4.229 -4.075 1.00 0.00 N ATOM 282 NH2 ARG A 18 -7.093 2.371 -5.417 1.00 0.00 N ATOM 0 H ARG A 18 -13.063 -0.069 -1.839 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.512 0.892 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.609 1.644 -3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.992 2.634 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.183 4.129 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.477 3.724 -1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.069 3.652 -1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.655 2.070 -1.373 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.417 1.287 -3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.516 4.683 -3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.658 4.754 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.322 1.393 -5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.550 2.899 -6.100 1.00 0.00 H new ATOM 296 N MET A 19 -11.797 2.011 0.665 1.00 0.00 N ATOM 297 CA MET A 19 -12.517 2.669 1.748 1.00 0.00 C ATOM 298 C MET A 19 -11.591 3.608 2.513 1.00 0.00 C ATOM 299 O MET A 19 -12.036 4.596 3.097 1.00 0.00 O ATOM 300 CB MET A 19 -13.115 1.630 2.698 1.00 0.00 C ATOM 301 CG MET A 19 -14.163 0.746 2.042 1.00 0.00 C ATOM 302 SD MET A 19 -15.646 1.654 1.567 1.00 0.00 S ATOM 303 CE MET A 19 -16.275 2.145 3.170 1.00 0.00 C ATOM 0 H MET A 19 -10.891 1.628 0.935 1.00 0.00 H new ATOM 0 HA MET A 19 -13.327 3.256 1.315 1.00 0.00 H new ATOM 0 HB2 MET A 19 -12.314 1.003 3.089 1.00 0.00 H new ATOM 0 HB3 MET A 19 -13.563 2.142 3.549 1.00 0.00 H new ATOM 0 HG2 MET A 19 -13.733 0.275 1.158 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.437 -0.055 2.729 1.00 0.00 H new ATOM 0 HE1 MET A 19 -17.329 2.409 3.082 1.00 0.00 H new ATOM 0 HE2 MET A 19 -16.165 1.319 3.873 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.714 3.007 3.532 1.00 0.00 H new ATOM 313 N GLY A 20 -10.300 3.291 2.504 1.00 0.00 N ATOM 314 CA GLY A 20 -9.329 4.118 3.193 1.00 0.00 C ATOM 315 C GLY A 20 -8.896 3.531 4.521 1.00 0.00 C ATOM 316 O GLY A 20 -7.702 3.353 4.767 1.00 0.00 O ATOM 0 H GLY A 20 -9.910 2.476 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.454 4.250 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.754 5.108 3.360 1.00 0.00 H new ATOM 320 N ASP A 21 -9.865 3.228 5.380 1.00 0.00 N ATOM 321 CA ASP A 21 -9.570 2.665 6.693 1.00 0.00 C ATOM 322 C ASP A 21 -10.586 1.595 7.084 1.00 0.00 C ATOM 323 O ASP A 21 -10.308 0.746 7.930 1.00 0.00 O ATOM 324 CB ASP A 21 -9.551 3.774 7.746 1.00 0.00 C ATOM 325 CG ASP A 21 -10.918 4.394 7.958 1.00 0.00 C ATOM 326 OD1 ASP A 21 -11.291 5.293 7.174 1.00 0.00 O ATOM 327 OD2 ASP A 21 -11.618 3.980 8.906 1.00 0.00 O ATOM 0 H ASP A 21 -10.858 3.363 5.191 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.588 2.194 6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.189 3.368 8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.847 4.549 7.441 1.00 0.00 H new ATOM 332 N GLU A 22 -11.763 1.640 6.465 1.00 0.00 N ATOM 333 CA GLU A 22 -12.816 0.674 6.762 1.00 0.00 C ATOM 334 C GLU A 22 -12.546 -0.670 6.090 1.00 0.00 C ATOM 335 O GLU A 22 -12.969 -1.714 6.586 1.00 0.00 O ATOM 336 CB GLU A 22 -14.175 1.211 6.311 1.00 0.00 C ATOM 337 CG GLU A 22 -14.618 2.455 7.064 1.00 0.00 C ATOM 338 CD GLU A 22 -14.843 2.194 8.540 1.00 0.00 C ATOM 339 OE1 GLU A 22 -15.903 1.633 8.889 1.00 0.00 O ATOM 340 OE2 GLU A 22 -13.959 2.550 9.347 1.00 0.00 O ATOM 0 H GLU A 22 -12.011 2.332 5.758 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.827 0.521 7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.131 1.438 5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.926 0.431 6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.864 3.233 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.539 2.834 6.621 1.00 0.00 H new ATOM 347 N ALA A 23 -11.840 -0.642 4.963 1.00 0.00 N ATOM 348 CA ALA A 23 -11.531 -1.865 4.231 1.00 0.00 C ATOM 349 C ALA A 23 -10.078 -2.285 4.418 1.00 0.00 C ATOM 350 O ALA A 23 -9.682 -3.369 3.989 1.00 0.00 O ATOM 351 CB ALA A 23 -11.840 -1.689 2.752 1.00 0.00 C ATOM 0 H ALA A 23 -11.473 0.210 4.539 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.160 -2.657 4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.604 -2.610 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.898 -1.458 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.240 -0.873 2.349 1.00 0.00 H new ATOM 357 N PHE A 24 -9.285 -1.430 5.056 1.00 0.00 N ATOM 358 CA PHE A 24 -7.879 -1.731 5.287 1.00 0.00 C ATOM 359 C PHE A 24 -7.715 -2.989 6.136 1.00 0.00 C ATOM 360 O PHE A 24 -6.921 -3.868 5.802 1.00 0.00 O ATOM 361 CB PHE A 24 -7.181 -0.551 5.960 1.00 0.00 C ATOM 362 CG PHE A 24 -5.722 -0.472 5.626 1.00 0.00 C ATOM 363 CD1 PHE A 24 -4.874 -1.519 5.942 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.198 0.642 4.991 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.534 -1.458 5.631 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.856 0.708 4.680 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.022 -0.344 4.999 1.00 0.00 C ATOM 0 H PHE A 24 -9.591 -0.528 5.420 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.415 -1.911 4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.669 0.375 5.657 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.298 -0.634 7.041 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.268 -2.394 6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.847 1.467 4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.884 -2.283 5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.458 1.583 4.187 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.971 -0.295 4.754 1.00 0.00 H new ATOM 377 N GLU A 25 -8.454 -3.072 7.239 1.00 0.00 N ATOM 378 CA GLU A 25 -8.370 -4.241 8.114 1.00 0.00 C ATOM 379 C GLU A 25 -8.834 -5.507 7.393 1.00 0.00 C ATOM 380 O GLU A 25 -8.094 -6.484 7.352 1.00 0.00 O ATOM 381 CB GLU A 25 -9.177 -4.063 9.398 1.00 0.00 C ATOM 382 CG GLU A 25 -9.876 -2.717 9.522 1.00 0.00 C ATOM 383 CD GLU A 25 -10.730 -2.619 10.771 1.00 0.00 C ATOM 384 OE1 GLU A 25 -11.904 -3.041 10.721 1.00 0.00 O ATOM 385 OE2 GLU A 25 -10.226 -2.120 11.798 1.00 0.00 O ATOM 0 H GLU A 25 -9.110 -2.354 7.547 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.319 -4.345 8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.925 -4.853 9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.511 -4.193 10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.129 -1.923 9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.501 -2.554 8.644 1.00 0.00 H new ATOM 392 N PRO A 26 -10.068 -5.528 6.828 1.00 0.00 N ATOM 393 CA PRO A 26 -10.565 -6.703 6.104 1.00 0.00 C ATOM 394 C PRO A 26 -9.539 -7.174 5.089 1.00 0.00 C ATOM 395 O PRO A 26 -9.485 -8.347 4.719 1.00 0.00 O ATOM 396 CB PRO A 26 -11.816 -6.196 5.388 1.00 0.00 C ATOM 397 CG PRO A 26 -12.271 -5.010 6.168 1.00 0.00 C ATOM 398 CD PRO A 26 -11.056 -4.431 6.845 1.00 0.00 C ATOM 0 HA PRO A 26 -10.766 -7.547 6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.594 -5.925 4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.588 -6.964 5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.734 -4.273 5.512 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.021 -5.298 6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.685 -3.554 6.314 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.281 -4.115 7.864 1.00 0.00 H new ATOM 406 N LEU A 27 -8.727 -6.222 4.657 1.00 0.00 N ATOM 407 CA LEU A 27 -7.667 -6.461 3.701 1.00 0.00 C ATOM 408 C LEU A 27 -6.492 -7.137 4.400 1.00 0.00 C ATOM 409 O LEU A 27 -5.887 -8.071 3.873 1.00 0.00 O ATOM 410 CB LEU A 27 -7.261 -5.114 3.103 1.00 0.00 C ATOM 411 CG LEU A 27 -5.764 -4.888 2.913 1.00 0.00 C ATOM 412 CD1 LEU A 27 -5.251 -5.692 1.732 1.00 0.00 C ATOM 413 CD2 LEU A 27 -5.477 -3.407 2.724 1.00 0.00 C ATOM 0 H LEU A 27 -8.789 -5.252 4.966 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.000 -7.123 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.750 -5.007 2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.649 -4.323 3.745 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.242 -5.229 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.182 -5.519 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.429 -6.753 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.773 -5.383 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.406 -3.258 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.007 -3.043 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.812 -2.856 3.603 1.00 0.00 H new ATOM 425 N LEU A 28 -6.182 -6.646 5.596 1.00 0.00 N ATOM 426 CA LEU A 28 -5.102 -7.191 6.407 1.00 0.00 C ATOM 427 C LEU A 28 -5.542 -8.505 7.050 1.00 0.00 C ATOM 428 O LEU A 28 -4.718 -9.302 7.498 1.00 0.00 O ATOM 429 CB LEU A 28 -4.700 -6.170 7.482 1.00 0.00 C ATOM 430 CG LEU A 28 -3.984 -6.737 8.712 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.612 -7.275 8.338 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.863 -5.673 9.792 1.00 0.00 C ATOM 0 H LEU A 28 -6.671 -5.862 6.028 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.239 -7.392 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.053 -5.423 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.598 -5.651 7.816 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.578 -7.563 9.103 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.122 -7.672 9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.721 -8.068 7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.007 -6.470 7.920 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.352 -6.091 10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.292 -4.828 9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.858 -5.336 10.084 1.00 0.00 H new ATOM 444 N GLU A 29 -6.854 -8.726 7.070 1.00 0.00 N ATOM 445 CA GLU A 29 -7.423 -9.933 7.654 1.00 0.00 C ATOM 446 C GLU A 29 -7.197 -11.133 6.741 1.00 0.00 C ATOM 447 O GLU A 29 -7.038 -12.262 7.205 1.00 0.00 O ATOM 448 CB GLU A 29 -8.920 -9.748 7.906 1.00 0.00 C ATOM 449 CG GLU A 29 -9.234 -8.845 9.090 1.00 0.00 C ATOM 450 CD GLU A 29 -8.750 -9.422 10.406 1.00 0.00 C ATOM 451 OE1 GLU A 29 -7.577 -9.184 10.764 1.00 0.00 O ATOM 452 OE2 GLU A 29 -9.545 -10.109 11.082 1.00 0.00 O ATOM 0 H GLU A 29 -7.544 -8.080 6.686 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.922 -10.118 8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.381 -9.332 7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.374 -10.724 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.771 -7.871 8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.310 -8.682 9.143 1.00 0.00 H new ATOM 459 N SER A 30 -7.184 -10.874 5.436 1.00 0.00 N ATOM 460 CA SER A 30 -6.983 -11.925 4.444 1.00 0.00 C ATOM 461 C SER A 30 -5.578 -12.511 4.537 1.00 0.00 C ATOM 462 O SER A 30 -5.339 -13.639 4.104 1.00 0.00 O ATOM 463 CB SER A 30 -7.226 -11.375 3.037 1.00 0.00 C ATOM 464 OG SER A 30 -8.587 -11.022 2.855 1.00 0.00 O ATOM 0 H SER A 30 -7.311 -9.942 5.041 1.00 0.00 H new ATOM 0 HA SER A 30 -7.698 -12.722 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.595 -10.502 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.939 -12.122 2.297 1.00 0.00 H new ATOM 0 HG SER A 30 -8.716 -10.672 1.949 1.00 0.00 H new ATOM 470 N LEU A 31 -4.651 -11.744 5.103 1.00 0.00 N ATOM 471 CA LEU A 31 -3.273 -12.199 5.248 1.00 0.00 C ATOM 472 C LEU A 31 -3.186 -13.362 6.230 1.00 0.00 C ATOM 473 O LEU A 31 -2.142 -14.004 6.357 1.00 0.00 O ATOM 474 CB LEU A 31 -2.374 -11.049 5.712 1.00 0.00 C ATOM 475 CG LEU A 31 -2.211 -9.902 4.707 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.354 -8.794 5.296 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.604 -10.409 3.407 1.00 0.00 C ATOM 0 H LEU A 31 -4.828 -10.808 5.467 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.927 -12.544 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.779 -10.644 6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.388 -11.451 5.944 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.199 -9.496 4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.250 -7.989 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.828 -8.408 6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.369 -9.189 5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.497 -9.580 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.625 -10.843 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.255 -11.168 2.973 1.00 0.00 H new ATOM 489 N SER A 32 -4.290 -13.631 6.920 1.00 0.00 N ATOM 490 CA SER A 32 -4.344 -14.719 7.890 1.00 0.00 C ATOM 491 C SER A 32 -5.275 -15.828 7.409 1.00 0.00 C ATOM 492 O SER A 32 -5.738 -16.651 8.200 1.00 0.00 O ATOM 493 CB SER A 32 -4.814 -14.194 9.248 1.00 0.00 C ATOM 494 OG SER A 32 -4.822 -15.225 10.221 1.00 0.00 O ATOM 0 H SER A 32 -5.161 -13.109 6.825 1.00 0.00 H new ATOM 0 HA SER A 32 -3.341 -15.132 7.996 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.159 -13.387 9.575 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.815 -13.773 9.152 1.00 0.00 H new ATOM 0 HG SER A 32 -5.266 -16.018 9.854 1.00 0.00 H new ATOM 500 N ASN A 33 -5.543 -15.848 6.107 1.00 0.00 N ATOM 501 CA ASN A 33 -6.419 -16.857 5.524 1.00 0.00 C ATOM 502 C ASN A 33 -5.631 -18.087 5.090 1.00 0.00 C ATOM 503 O ASN A 33 -4.476 -17.985 4.679 1.00 0.00 O ATOM 504 CB ASN A 33 -7.183 -16.282 4.330 1.00 0.00 C ATOM 505 CG ASN A 33 -8.378 -15.451 4.752 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.938 -15.650 5.831 1.00 0.00 O ATOM 507 ND2 ASN A 33 -8.782 -14.519 3.898 1.00 0.00 N ATOM 0 H ASN A 33 -5.166 -15.178 5.437 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.132 -17.158 6.291 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.509 -15.667 3.734 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.520 -17.098 3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.586 -13.934 4.125 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.289 -14.388 3.015 1.00 0.00 H new ATOM 514 N GLU A 34 -6.268 -19.249 5.183 1.00 0.00 N ATOM 515 CA GLU A 34 -5.636 -20.504 4.799 1.00 0.00 C ATOM 516 C GLU A 34 -5.369 -20.538 3.298 1.00 0.00 C ATOM 517 O GLU A 34 -4.498 -21.271 2.828 1.00 0.00 O ATOM 518 CB GLU A 34 -6.523 -21.684 5.197 1.00 0.00 C ATOM 519 CG GLU A 34 -6.864 -21.715 6.678 1.00 0.00 C ATOM 520 CD GLU A 34 -7.765 -22.879 7.043 1.00 0.00 C ATOM 521 OE1 GLU A 34 -9.002 -22.718 6.970 1.00 0.00 O ATOM 522 OE2 GLU A 34 -7.234 -23.951 7.401 1.00 0.00 O ATOM 0 H GLU A 34 -7.225 -19.347 5.522 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.683 -20.581 5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.447 -21.644 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.020 -22.613 4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.943 -21.777 7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.353 -20.781 6.954 1.00 0.00 H new ATOM 529 N ASP A 35 -6.124 -19.739 2.553 1.00 0.00 N ATOM 530 CA ASP A 35 -5.974 -19.671 1.105 1.00 0.00 C ATOM 531 C ASP A 35 -4.763 -18.825 0.726 1.00 0.00 C ATOM 532 O ASP A 35 -4.401 -17.889 1.440 1.00 0.00 O ATOM 533 CB ASP A 35 -7.238 -19.091 0.469 1.00 0.00 C ATOM 534 CG ASP A 35 -8.465 -19.938 0.746 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.137 -19.694 1.770 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.753 -20.845 -0.062 1.00 0.00 O ATOM 0 H ASP A 35 -6.848 -19.128 2.930 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.820 -20.683 0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.403 -18.083 0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.094 -19.007 -0.608 1.00 0.00 H new ATOM 541 N TRP A 36 -4.138 -19.161 -0.399 1.00 0.00 N ATOM 542 CA TRP A 36 -2.967 -18.429 -0.869 1.00 0.00 C ATOM 543 C TRP A 36 -3.371 -17.324 -1.842 1.00 0.00 C ATOM 544 O TRP A 36 -2.805 -16.231 -1.823 1.00 0.00 O ATOM 545 CB TRP A 36 -1.971 -19.384 -1.532 1.00 0.00 C ATOM 546 CG TRP A 36 -2.617 -20.413 -2.409 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.984 -20.264 -3.715 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.974 -21.753 -2.043 1.00 0.00 C ATOM 549 NE1 TRP A 36 -3.548 -21.427 -4.183 1.00 0.00 N ATOM 550 CE2 TRP A 36 -3.552 -22.354 -3.177 1.00 0.00 C ATOM 551 CE3 TRP A 36 -2.862 -22.502 -0.868 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -4.015 -23.666 -3.171 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -3.323 -23.806 -0.865 1.00 0.00 C ATOM 554 CH2 TRP A 36 -3.893 -24.375 -2.011 1.00 0.00 C ATOM 0 H TRP A 36 -4.423 -19.934 -1.001 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.487 -17.966 -0.007 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.265 -18.804 -2.127 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.395 -19.890 -0.757 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.851 -19.364 -4.296 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.905 -21.575 -5.127 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.424 -22.071 0.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.455 -24.108 -4.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.242 -24.396 0.036 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.243 -25.396 -1.976 1.00 0.00 H new ATOM 565 N ARG A 37 -4.354 -17.617 -2.687 1.00 0.00 N ATOM 566 CA ARG A 37 -4.843 -16.651 -3.665 1.00 0.00 C ATOM 567 C ARG A 37 -5.391 -15.402 -2.984 1.00 0.00 C ATOM 568 O ARG A 37 -4.981 -14.283 -3.292 1.00 0.00 O ATOM 569 CB ARG A 37 -5.934 -17.281 -4.532 1.00 0.00 C ATOM 570 CG ARG A 37 -5.442 -18.435 -5.391 1.00 0.00 C ATOM 571 CD ARG A 37 -6.503 -18.874 -6.387 1.00 0.00 C ATOM 572 NE ARG A 37 -6.070 -20.025 -7.175 1.00 0.00 N ATOM 573 CZ ARG A 37 -5.763 -19.960 -8.469 1.00 0.00 C ATOM 574 NH1 ARG A 37 -5.832 -18.804 -9.116 1.00 0.00 N ATOM 575 NH2 ARG A 37 -5.386 -21.056 -9.116 1.00 0.00 N ATOM 0 H ARG A 37 -4.829 -18.519 -2.714 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.001 -16.360 -4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.738 -17.637 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.360 -16.514 -5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.541 -18.135 -5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.169 -19.276 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.420 -19.124 -5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.739 -18.045 -7.055 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.999 -20.929 -6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.121 -17.960 -8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.596 -18.759 -10.107 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.332 -21.947 -8.622 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.151 -21.008 -10.107 1.00 0.00 H new ATOM 589 N ILE A 38 -6.325 -15.601 -2.058 1.00 0.00 N ATOM 590 CA ILE A 38 -6.944 -14.492 -1.339 1.00 0.00 C ATOM 591 C ILE A 38 -5.898 -13.601 -0.672 1.00 0.00 C ATOM 592 O ILE A 38 -6.015 -12.376 -0.687 1.00 0.00 O ATOM 593 CB ILE A 38 -7.928 -15.003 -0.266 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.857 -16.072 -0.854 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.736 -13.849 0.309 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.697 -15.585 -2.018 1.00 0.00 C ATOM 0 H ILE A 38 -6.670 -16.522 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.489 -13.905 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.353 -15.455 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.256 -16.920 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.519 -16.436 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.425 -14.228 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.061 -13.124 0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.301 -13.368 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.327 -16.399 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.326 -14.757 -1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.043 -15.249 -2.823 1.00 0.00 H new ATOM 608 N ARG A 39 -4.876 -14.222 -0.092 1.00 0.00 N ATOM 609 CA ARG A 39 -3.814 -13.482 0.583 1.00 0.00 C ATOM 610 C ARG A 39 -3.014 -12.634 -0.402 1.00 0.00 C ATOM 611 O ARG A 39 -2.444 -11.608 -0.029 1.00 0.00 O ATOM 612 CB ARG A 39 -2.878 -14.445 1.315 1.00 0.00 C ATOM 613 CG ARG A 39 -1.789 -13.744 2.110 1.00 0.00 C ATOM 614 CD ARG A 39 -0.810 -14.739 2.707 1.00 0.00 C ATOM 615 NE ARG A 39 -1.477 -15.684 3.597 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.040 -16.919 3.824 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.077 -17.349 3.254 1.00 0.00 N ATOM 618 NH2 ARG A 39 -1.721 -17.724 4.627 1.00 0.00 N ATOM 0 H ARG A 39 -4.760 -15.235 -0.075 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.283 -12.815 1.306 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.465 -15.068 1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.414 -15.112 0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.254 -13.049 1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.241 -13.154 2.907 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.311 -15.284 1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.037 -14.203 3.258 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.327 -15.380 4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.606 -16.731 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.408 -18.297 3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.579 -17.396 5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.387 -18.672 4.802 1.00 0.00 H new ATOM 632 N GLY A 40 -2.970 -13.068 -1.656 1.00 0.00 N ATOM 633 CA GLY A 40 -2.230 -12.333 -2.668 1.00 0.00 C ATOM 634 C GLY A 40 -2.810 -10.956 -2.927 1.00 0.00 C ATOM 635 O GLY A 40 -2.147 -9.945 -2.693 1.00 0.00 O ATOM 0 H GLY A 40 -3.432 -13.914 -1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.191 -12.233 -2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.227 -12.903 -3.597 1.00 0.00 H new ATOM 639 N ALA A 41 -4.050 -10.922 -3.413 1.00 0.00 N ATOM 640 CA ALA A 41 -4.740 -9.671 -3.712 1.00 0.00 C ATOM 641 C ALA A 41 -4.603 -8.659 -2.577 1.00 0.00 C ATOM 642 O ALA A 41 -4.743 -7.454 -2.791 1.00 0.00 O ATOM 643 CB ALA A 41 -6.208 -9.943 -3.999 1.00 0.00 C ATOM 0 H ALA A 41 -4.601 -11.757 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.271 -9.237 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.715 -9.004 -4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.293 -10.613 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.669 -10.407 -3.127 1.00 0.00 H new ATOM 649 N ALA A 42 -4.333 -9.151 -1.371 1.00 0.00 N ATOM 650 CA ALA A 42 -4.177 -8.281 -0.213 1.00 0.00 C ATOM 651 C ALA A 42 -3.059 -7.271 -0.438 1.00 0.00 C ATOM 652 O ALA A 42 -3.282 -6.064 -0.379 1.00 0.00 O ATOM 653 CB ALA A 42 -3.900 -9.104 1.035 1.00 0.00 C ATOM 0 H ALA A 42 -4.218 -10.145 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.109 -7.733 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.786 -8.439 1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.732 -9.786 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.984 -9.678 0.897 1.00 0.00 H new ATOM 659 N ALA A 43 -1.858 -7.771 -0.715 1.00 0.00 N ATOM 660 CA ALA A 43 -0.712 -6.903 -0.953 1.00 0.00 C ATOM 661 C ALA A 43 -0.893 -6.109 -2.239 1.00 0.00 C ATOM 662 O ALA A 43 -0.317 -5.034 -2.405 1.00 0.00 O ATOM 663 CB ALA A 43 0.570 -7.717 -1.012 1.00 0.00 C ATOM 0 H ALA A 43 -1.655 -8.768 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.641 -6.200 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.415 -7.052 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.713 -8.240 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.503 -8.444 -1.822 1.00 0.00 H new ATOM 669 N TRP A 44 -1.698 -6.648 -3.149 1.00 0.00 N ATOM 670 CA TRP A 44 -1.958 -5.996 -4.423 1.00 0.00 C ATOM 671 C TRP A 44 -2.631 -4.637 -4.227 1.00 0.00 C ATOM 672 O TRP A 44 -2.321 -3.677 -4.932 1.00 0.00 O ATOM 673 CB TRP A 44 -2.816 -6.901 -5.311 1.00 0.00 C ATOM 674 CG TRP A 44 -1.987 -7.871 -6.093 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.368 -8.983 -5.610 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.672 -7.809 -7.490 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.675 -9.611 -6.614 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.849 -8.914 -7.779 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.002 -6.929 -8.525 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.349 -9.162 -9.053 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.510 -7.178 -9.793 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.690 -8.285 -10.047 1.00 0.00 C ATOM 0 H TRP A 44 -2.182 -7.537 -3.025 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.002 -5.821 -4.916 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.526 -7.449 -4.691 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.399 -6.287 -5.997 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.415 -9.322 -4.586 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.120 -10.460 -6.509 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.630 -6.070 -8.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.284 -10.014 -9.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.762 -6.508 -10.601 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.319 -8.450 -11.048 1.00 0.00 H new ATOM 693 N ILE A 45 -3.551 -4.561 -3.267 1.00 0.00 N ATOM 694 CA ILE A 45 -4.271 -3.321 -2.990 1.00 0.00 C ATOM 695 C ILE A 45 -3.702 -2.594 -1.770 1.00 0.00 C ATOM 696 O ILE A 45 -3.883 -1.386 -1.614 1.00 0.00 O ATOM 697 CB ILE A 45 -5.773 -3.593 -2.761 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.344 -4.425 -3.914 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.540 -2.286 -2.612 1.00 0.00 C ATOM 700 CD1 ILE A 45 -6.298 -3.726 -5.258 1.00 0.00 C ATOM 0 H ILE A 45 -3.815 -5.344 -2.668 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.146 -2.684 -3.866 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.884 -4.159 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.789 -5.361 -3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.378 -4.683 -3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.597 -2.500 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.149 -1.730 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.424 -1.691 -3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.720 -4.379 -6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.877 -2.804 -5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.264 -3.492 -5.511 1.00 0.00 H new ATOM 712 N ILE A 46 -3.008 -3.338 -0.915 1.00 0.00 N ATOM 713 CA ILE A 46 -2.439 -2.783 0.312 1.00 0.00 C ATOM 714 C ILE A 46 -1.545 -1.567 0.052 1.00 0.00 C ATOM 715 O ILE A 46 -1.555 -0.610 0.824 1.00 0.00 O ATOM 716 CB ILE A 46 -1.645 -3.856 1.097 1.00 0.00 C ATOM 717 CG1 ILE A 46 -1.811 -3.634 2.598 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.169 -3.844 0.717 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.111 -4.902 3.365 1.00 0.00 C ATOM 0 H ILE A 46 -2.824 -4.332 -1.049 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.285 -2.450 0.913 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.046 -4.835 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.900 -3.186 2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.616 -2.919 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.359 -4.609 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.066 -4.048 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.257 -2.866 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.216 -4.670 4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.038 -5.340 2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.295 -5.612 3.228 1.00 0.00 H new ATOM 731 N GLY A 47 -0.782 -1.604 -1.035 1.00 0.00 N ATOM 732 CA GLY A 47 0.113 -0.502 -1.346 1.00 0.00 C ATOM 733 C GLY A 47 -0.609 0.725 -1.868 1.00 0.00 C ATOM 734 O GLY A 47 -0.075 1.833 -1.822 1.00 0.00 O ATOM 0 H GLY A 47 -0.766 -2.373 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.672 -0.233 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.840 -0.831 -2.089 1.00 0.00 H new ATOM 738 N ASN A 48 -1.822 0.528 -2.367 1.00 0.00 N ATOM 739 CA ASN A 48 -2.612 1.626 -2.912 1.00 0.00 C ATOM 740 C ASN A 48 -3.113 2.576 -1.821 1.00 0.00 C ATOM 741 O ASN A 48 -3.784 3.563 -2.121 1.00 0.00 O ATOM 742 CB ASN A 48 -3.793 1.073 -3.713 1.00 0.00 C ATOM 743 CG ASN A 48 -3.341 0.216 -4.881 1.00 0.00 C ATOM 744 OD1 ASN A 48 -2.279 0.447 -5.459 1.00 0.00 O ATOM 745 ND2 ASN A 48 -4.145 -0.781 -5.234 1.00 0.00 N ATOM 0 H ASN A 48 -2.281 -0.382 -2.406 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.961 2.203 -3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.431 0.482 -3.056 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.398 1.900 -4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.891 -1.390 -6.011 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.016 -0.937 -4.728 1.00 0.00 H new ATOM 752 N PHE A 49 -2.793 2.285 -0.559 1.00 0.00 N ATOM 753 CA PHE A 49 -3.236 3.136 0.545 1.00 0.00 C ATOM 754 C PHE A 49 -2.108 4.019 1.079 1.00 0.00 C ATOM 755 O PHE A 49 -2.355 5.144 1.517 1.00 0.00 O ATOM 756 CB PHE A 49 -3.813 2.286 1.678 1.00 0.00 C ATOM 757 CG PHE A 49 -4.985 1.438 1.268 1.00 0.00 C ATOM 758 CD1 PHE A 49 -6.252 1.989 1.157 1.00 0.00 C ATOM 759 CD2 PHE A 49 -4.818 0.090 0.998 1.00 0.00 C ATOM 760 CE1 PHE A 49 -7.331 1.209 0.783 1.00 0.00 C ATOM 761 CE2 PHE A 49 -5.893 -0.695 0.625 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.151 -0.134 0.518 1.00 0.00 C ATOM 0 H PHE A 49 -2.236 1.478 -0.279 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.013 3.792 0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.028 1.639 2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.120 2.943 2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.398 3.039 1.365 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.836 -0.353 1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.313 1.650 0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.750 -1.745 0.418 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.993 -0.745 0.227 1.00 0.00 H new ATOM 772 N GLN A 50 -0.881 3.502 1.059 1.00 0.00 N ATOM 773 CA GLN A 50 0.281 4.250 1.541 1.00 0.00 C ATOM 774 C GLN A 50 0.204 4.466 3.043 1.00 0.00 C ATOM 775 O GLN A 50 0.232 5.598 3.528 1.00 0.00 O ATOM 776 CB GLN A 50 0.404 5.592 0.823 1.00 0.00 C ATOM 777 CG GLN A 50 1.040 5.474 -0.543 1.00 0.00 C ATOM 778 CD GLN A 50 1.355 6.823 -1.161 1.00 0.00 C ATOM 779 OE1 GLN A 50 1.666 7.804 -0.321 1.00 0.00 O flip ATOM 780 NE2 GLN A 50 1.322 6.981 -2.382 1.00 0.00 N flip ATOM 0 H GLN A 50 -0.664 2.567 0.714 1.00 0.00 H new ATOM 0 HA GLN A 50 1.169 3.657 1.321 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.587 6.035 0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.995 6.273 1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.958 4.893 -0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.371 4.923 -1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.078 6.200 -2.991 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.539 7.893 -2.784 1.00 0.00 H new ATOM 789 N ASP A 51 0.107 3.366 3.769 1.00 0.00 N ATOM 790 CA ASP A 51 0.020 3.409 5.222 1.00 0.00 C ATOM 791 C ASP A 51 1.058 2.492 5.860 1.00 0.00 C ATOM 792 O ASP A 51 1.636 1.635 5.191 1.00 0.00 O ATOM 793 CB ASP A 51 -1.383 3.005 5.671 1.00 0.00 C ATOM 794 CG ASP A 51 -2.437 4.009 5.250 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.822 4.002 4.061 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.878 4.803 6.107 1.00 0.00 O ATOM 0 H ASP A 51 0.086 2.425 3.375 1.00 0.00 H new ATOM 0 HA ASP A 51 0.223 4.429 5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.628 2.029 5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.398 2.900 6.756 1.00 0.00 H new ATOM 801 N GLU A 52 1.290 2.678 7.157 1.00 0.00 N ATOM 802 CA GLU A 52 2.250 1.855 7.884 1.00 0.00 C ATOM 803 C GLU A 52 1.767 0.412 7.938 1.00 0.00 C ATOM 804 O GLU A 52 2.563 -0.526 7.936 1.00 0.00 O ATOM 805 CB GLU A 52 2.448 2.391 9.302 1.00 0.00 C ATOM 806 CG GLU A 52 1.171 2.424 10.127 1.00 0.00 C ATOM 807 CD GLU A 52 1.402 2.931 11.537 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.713 2.105 12.422 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.270 4.153 11.757 1.00 0.00 O ATOM 0 H GLU A 52 0.828 3.389 7.724 1.00 0.00 H new ATOM 0 HA GLU A 52 3.205 1.892 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.185 1.773 9.815 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.860 3.399 9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.439 3.061 9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.745 1.422 10.170 1.00 0.00 H new ATOM 816 N ARG A 53 0.450 0.252 7.985 1.00 0.00 N ATOM 817 CA ARG A 53 -0.171 -1.063 8.036 1.00 0.00 C ATOM 818 C ARG A 53 0.010 -1.801 6.709 1.00 0.00 C ATOM 819 O ARG A 53 -0.284 -2.991 6.603 1.00 0.00 O ATOM 820 CB ARG A 53 -1.659 -0.919 8.373 1.00 0.00 C ATOM 821 CG ARG A 53 -2.362 -2.238 8.657 1.00 0.00 C ATOM 822 CD ARG A 53 -3.741 -2.012 9.254 1.00 0.00 C ATOM 823 NE ARG A 53 -3.694 -1.158 10.439 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.614 -1.174 11.397 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.645 -2.004 11.320 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.504 -0.358 12.437 1.00 0.00 N ATOM 0 H ARG A 53 -0.213 1.027 7.989 1.00 0.00 H new ATOM 0 HA ARG A 53 0.315 -1.651 8.815 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.762 -0.270 9.243 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.162 -0.423 7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.453 -2.810 7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.760 -2.833 9.343 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.389 -1.557 8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.183 -2.973 9.517 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.910 -0.513 10.536 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.734 -2.634 10.523 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.349 -2.013 12.058 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.713 0.282 12.501 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.211 -0.371 13.172 1.00 0.00 H new ATOM 840 N ALA A 54 0.499 -1.084 5.698 1.00 0.00 N ATOM 841 CA ALA A 54 0.708 -1.663 4.375 1.00 0.00 C ATOM 842 C ALA A 54 2.184 -1.925 4.122 1.00 0.00 C ATOM 843 O ALA A 54 2.571 -2.377 3.043 1.00 0.00 O ATOM 844 CB ALA A 54 0.150 -0.742 3.301 1.00 0.00 C ATOM 0 H ALA A 54 0.758 -0.100 5.772 1.00 0.00 H new ATOM 0 HA ALA A 54 0.179 -2.615 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.313 -1.187 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.919 -0.601 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.655 0.223 3.351 1.00 0.00 H new ATOM 850 N VAL A 55 3.005 -1.639 5.123 1.00 0.00 N ATOM 851 CA VAL A 55 4.441 -1.830 5.010 1.00 0.00 C ATOM 852 C VAL A 55 4.845 -3.255 5.378 1.00 0.00 C ATOM 853 O VAL A 55 5.605 -3.901 4.656 1.00 0.00 O ATOM 854 CB VAL A 55 5.197 -0.837 5.910 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.687 -0.897 5.635 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.671 0.575 5.708 1.00 0.00 C ATOM 0 H VAL A 55 2.698 -1.273 6.024 1.00 0.00 H new ATOM 0 HA VAL A 55 4.709 -1.649 3.969 1.00 0.00 H new ATOM 0 HB VAL A 55 5.029 -1.119 6.949 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.205 -0.188 6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.053 -1.904 5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.875 -0.642 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.218 1.263 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.807 0.868 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.611 0.608 5.959 1.00 0.00 H new ATOM 866 N GLU A 56 4.331 -3.740 6.505 1.00 0.00 N ATOM 867 CA GLU A 56 4.643 -5.091 6.970 1.00 0.00 C ATOM 868 C GLU A 56 4.208 -6.156 5.957 1.00 0.00 C ATOM 869 O GLU A 56 4.980 -7.063 5.645 1.00 0.00 O ATOM 870 CB GLU A 56 3.986 -5.364 8.325 1.00 0.00 C ATOM 871 CG GLU A 56 4.436 -6.670 8.959 1.00 0.00 C ATOM 872 CD GLU A 56 3.534 -7.107 10.097 1.00 0.00 C ATOM 873 OE1 GLU A 56 3.675 -6.559 11.211 1.00 0.00 O ATOM 874 OE2 GLU A 56 2.687 -7.997 9.874 1.00 0.00 O ATOM 0 H GLU A 56 3.698 -3.220 7.113 1.00 0.00 H new ATOM 0 HA GLU A 56 5.726 -5.150 7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.213 -4.542 9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.904 -5.383 8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.459 -7.450 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.455 -6.557 9.330 1.00 0.00 H new ATOM 881 N PRO A 57 2.961 -6.074 5.438 1.00 0.00 N ATOM 882 CA PRO A 57 2.443 -7.046 4.468 1.00 0.00 C ATOM 883 C PRO A 57 3.451 -7.398 3.382 1.00 0.00 C ATOM 884 O PRO A 57 3.602 -8.564 3.019 1.00 0.00 O ATOM 885 CB PRO A 57 1.243 -6.320 3.865 1.00 0.00 C ATOM 886 CG PRO A 57 0.747 -5.449 4.965 1.00 0.00 C ATOM 887 CD PRO A 57 1.959 -5.033 5.752 1.00 0.00 C ATOM 0 HA PRO A 57 2.202 -7.999 4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.531 -5.733 2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.477 -7.023 3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.224 -4.579 4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.038 -5.985 5.596 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.306 -4.043 5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.747 -4.992 6.820 1.00 0.00 H new ATOM 895 N LEU A 58 4.142 -6.387 2.869 1.00 0.00 N ATOM 896 CA LEU A 58 5.132 -6.600 1.823 1.00 0.00 C ATOM 897 C LEU A 58 6.295 -7.445 2.333 1.00 0.00 C ATOM 898 O LEU A 58 6.799 -8.312 1.626 1.00 0.00 O ATOM 899 CB LEU A 58 5.652 -5.260 1.291 1.00 0.00 C ATOM 900 CG LEU A 58 4.575 -4.240 0.897 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.172 -3.141 0.036 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.418 -4.917 0.174 1.00 0.00 C ATOM 0 H LEU A 58 4.035 -5.415 3.160 1.00 0.00 H new ATOM 0 HA LEU A 58 4.646 -7.138 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.291 -4.811 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.279 -5.454 0.421 1.00 0.00 H new ATOM 0 HG LEU A 58 4.185 -3.792 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.394 -2.427 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.957 -2.629 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.594 -3.577 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.670 -4.171 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.787 -5.401 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.968 -5.664 0.828 1.00 0.00 H new ATOM 914 N ILE A 59 6.710 -7.190 3.567 1.00 0.00 N ATOM 915 CA ILE A 59 7.820 -7.921 4.170 1.00 0.00 C ATOM 916 C ILE A 59 7.599 -9.432 4.129 1.00 0.00 C ATOM 917 O ILE A 59 8.411 -10.174 3.574 1.00 0.00 O ATOM 918 CB ILE A 59 8.041 -7.487 5.637 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.385 -5.996 5.712 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.137 -8.325 6.286 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.671 -5.626 5.002 1.00 0.00 C ATOM 0 H ILE A 59 6.295 -6.481 4.172 1.00 0.00 H new ATOM 0 HA ILE A 59 8.704 -7.680 3.580 1.00 0.00 H new ATOM 0 HB ILE A 59 7.114 -7.652 6.186 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.565 -5.422 5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.462 -5.703 6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.277 -8.004 7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.850 -9.376 6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.069 -8.195 5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.845 -4.555 5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.503 -6.171 5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.591 -5.886 3.946 1.00 0.00 H new ATOM 933 N LYS A 60 6.496 -9.876 4.718 1.00 0.00 N ATOM 934 CA LYS A 60 6.170 -11.298 4.789 1.00 0.00 C ATOM 935 C LYS A 60 5.789 -11.897 3.432 1.00 0.00 C ATOM 936 O LYS A 60 5.997 -13.088 3.200 1.00 0.00 O ATOM 937 CB LYS A 60 5.029 -11.508 5.791 1.00 0.00 C ATOM 938 CG LYS A 60 4.671 -12.969 6.037 1.00 0.00 C ATOM 939 CD LYS A 60 3.581 -13.457 5.091 1.00 0.00 C ATOM 940 CE LYS A 60 2.253 -12.765 5.356 1.00 0.00 C ATOM 941 NZ LYS A 60 1.787 -12.972 6.755 1.00 0.00 N ATOM 0 H LYS A 60 5.806 -9.267 5.157 1.00 0.00 H new ATOM 0 HA LYS A 60 7.070 -11.819 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.306 -11.049 6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.143 -10.985 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.561 -13.586 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.338 -13.092 7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.886 -13.276 4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.458 -14.534 5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.355 -11.697 5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.502 -13.144 4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.778 -12.728 6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.922 -13.968 7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.335 -12.364 7.397 1.00 0.00 H new ATOM 955 N LEU A 61 5.238 -11.083 2.534 1.00 0.00 N ATOM 956 CA LEU A 61 4.796 -11.589 1.233 1.00 0.00 C ATOM 957 C LEU A 61 5.881 -11.542 0.154 1.00 0.00 C ATOM 958 O LEU A 61 5.792 -12.262 -0.839 1.00 0.00 O ATOM 959 CB LEU A 61 3.560 -10.825 0.762 1.00 0.00 C ATOM 960 CG LEU A 61 2.472 -11.698 0.139 1.00 0.00 C ATOM 961 CD1 LEU A 61 1.975 -12.730 1.142 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.318 -10.844 -0.356 1.00 0.00 C ATOM 0 H LEU A 61 5.088 -10.084 2.678 1.00 0.00 H new ATOM 0 HA LEU A 61 4.554 -12.641 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.135 -10.288 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.868 -10.076 0.033 1.00 0.00 H new ATOM 0 HG LEU A 61 2.903 -12.223 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.201 -13.342 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.805 -13.366 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.564 -12.221 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.554 -11.485 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.890 -10.291 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.681 -10.143 -1.108 1.00 0.00 H new ATOM 974 N LEU A 62 6.895 -10.704 0.325 1.00 0.00 N ATOM 975 CA LEU A 62 7.962 -10.622 -0.664 1.00 0.00 C ATOM 976 C LEU A 62 8.752 -11.923 -0.673 1.00 0.00 C ATOM 977 O LEU A 62 9.428 -12.249 -1.647 1.00 0.00 O ATOM 978 CB LEU A 62 8.874 -9.430 -0.379 1.00 0.00 C ATOM 979 CG LEU A 62 8.308 -8.081 -0.824 1.00 0.00 C ATOM 980 CD1 LEU A 62 8.998 -6.941 -0.092 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.453 -7.915 -2.330 1.00 0.00 C ATOM 0 H LEU A 62 7.001 -10.081 1.125 1.00 0.00 H new ATOM 0 HA LEU A 62 7.522 -10.472 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.076 -9.390 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.830 -9.592 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 62 7.247 -8.054 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.580 -5.990 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.843 -7.051 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.066 -6.963 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.045 -6.950 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.507 -7.964 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.910 -8.712 -2.838 1.00 0.00 H new ATOM 993 N GLU A 63 8.648 -12.663 0.424 1.00 0.00 N ATOM 994 CA GLU A 63 9.322 -13.946 0.557 1.00 0.00 C ATOM 995 C GLU A 63 8.393 -15.061 0.107 1.00 0.00 C ATOM 996 O GLU A 63 8.812 -16.207 -0.061 1.00 0.00 O ATOM 997 CB GLU A 63 9.710 -14.200 2.009 1.00 0.00 C ATOM 998 CG GLU A 63 10.081 -12.944 2.780 1.00 0.00 C ATOM 999 CD GLU A 63 10.497 -13.242 4.208 1.00 0.00 C ATOM 1000 OE1 GLU A 63 9.609 -13.537 5.036 1.00 0.00 O ATOM 1001 OE2 GLU A 63 11.710 -13.180 4.498 1.00 0.00 O ATOM 0 H GLU A 63 8.098 -12.393 1.240 1.00 0.00 H new ATOM 0 HA GLU A 63 10.219 -13.925 -0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.880 -14.692 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.553 -14.891 2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.896 -12.433 2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.231 -12.261 2.787 1.00 0.00 H new ATOM 1008 N ASP A 64 7.123 -14.710 -0.081 1.00 0.00 N ATOM 1009 CA ASP A 64 6.110 -15.674 -0.481 1.00 0.00 C ATOM 1010 C ASP A 64 6.552 -16.444 -1.713 1.00 0.00 C ATOM 1011 O ASP A 64 7.245 -15.912 -2.574 1.00 0.00 O ATOM 1012 CB ASP A 64 4.780 -14.968 -0.747 1.00 0.00 C ATOM 1013 CG ASP A 64 3.613 -15.932 -0.789 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.128 -16.325 0.293 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.186 -16.293 -1.902 1.00 0.00 O ATOM 0 H ASP A 64 6.773 -13.759 0.039 1.00 0.00 H new ATOM 0 HA ASP A 64 5.975 -16.384 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.605 -14.224 0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.839 -14.432 -1.694 1.00 0.00 H new ATOM 1020 N ASP A 65 6.163 -17.704 -1.774 1.00 0.00 N ATOM 1021 CA ASP A 65 6.524 -18.555 -2.904 1.00 0.00 C ATOM 1022 C ASP A 65 5.293 -19.052 -3.664 1.00 0.00 C ATOM 1023 O ASP A 65 5.336 -20.110 -4.293 1.00 0.00 O ATOM 1024 CB ASP A 65 7.346 -19.749 -2.415 1.00 0.00 C ATOM 1025 CG ASP A 65 8.137 -20.404 -3.529 1.00 0.00 C ATOM 1026 OD1 ASP A 65 9.202 -19.863 -3.897 1.00 0.00 O ATOM 1027 OD2 ASP A 65 7.694 -21.457 -4.035 1.00 0.00 O ATOM 0 H ASP A 65 5.599 -18.164 -1.060 1.00 0.00 H new ATOM 0 HA ASP A 65 7.117 -17.953 -3.592 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.030 -19.419 -1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.680 -20.485 -1.966 1.00 0.00 H new ATOM 1032 N SER A 66 4.197 -18.295 -3.619 1.00 0.00 N ATOM 1033 CA SER A 66 2.980 -18.702 -4.317 1.00 0.00 C ATOM 1034 C SER A 66 3.001 -18.230 -5.768 1.00 0.00 C ATOM 1035 O SER A 66 2.526 -18.925 -6.666 1.00 0.00 O ATOM 1036 CB SER A 66 1.741 -18.157 -3.610 1.00 0.00 C ATOM 1037 OG SER A 66 0.553 -18.650 -4.205 1.00 0.00 O ATOM 0 H SER A 66 4.127 -17.411 -3.115 1.00 0.00 H new ATOM 0 HA SER A 66 2.939 -19.791 -4.305 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.767 -18.438 -2.557 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.746 -17.068 -3.650 1.00 0.00 H new ATOM 0 HG SER A 66 0.203 -19.393 -3.670 1.00 0.00 H new ATOM 1043 N GLY A 67 3.559 -17.044 -5.984 1.00 0.00 N ATOM 1044 CA GLY A 67 3.633 -16.480 -7.320 1.00 0.00 C ATOM 1045 C GLY A 67 3.051 -15.083 -7.377 1.00 0.00 C ATOM 1046 O GLY A 67 3.738 -14.112 -7.060 1.00 0.00 O ATOM 0 H GLY A 67 3.964 -16.459 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.673 -16.453 -7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.097 -17.125 -8.016 1.00 0.00 H new ATOM 1050 N PHE A 68 1.787 -14.969 -7.785 1.00 0.00 N ATOM 1051 CA PHE A 68 1.140 -13.666 -7.852 1.00 0.00 C ATOM 1052 C PHE A 68 1.098 -13.059 -6.457 1.00 0.00 C ATOM 1053 O PHE A 68 1.083 -11.840 -6.293 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.269 -13.779 -8.462 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.408 -13.575 -7.493 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.845 -12.295 -7.162 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.059 -14.663 -6.931 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.901 -12.113 -6.291 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.113 -14.482 -6.058 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.535 -13.207 -5.739 1.00 0.00 C ATOM 0 H PHE A 68 1.200 -15.753 -8.070 1.00 0.00 H new ATOM 0 HA PHE A 68 1.715 -13.010 -8.505 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.360 -13.046 -9.264 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.372 -14.764 -8.917 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.353 -11.435 -7.591 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.738 -15.664 -7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.230 -11.115 -6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.608 -15.338 -5.624 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.361 -13.066 -5.058 1.00 0.00 H new ATOM 1070 N VAL A 69 1.092 -13.931 -5.454 1.00 0.00 N ATOM 1071 CA VAL A 69 1.075 -13.501 -4.065 1.00 0.00 C ATOM 1072 C VAL A 69 2.392 -12.827 -3.710 1.00 0.00 C ATOM 1073 O VAL A 69 2.425 -11.860 -2.951 1.00 0.00 O ATOM 1074 CB VAL A 69 0.839 -14.685 -3.113 1.00 0.00 C ATOM 1075 CG1 VAL A 69 0.677 -14.201 -1.681 1.00 0.00 C ATOM 1076 CG2 VAL A 69 -0.375 -15.488 -3.553 1.00 0.00 C ATOM 0 H VAL A 69 1.099 -14.943 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 69 0.253 -12.794 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 69 1.712 -15.336 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.511 -15.055 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.580 -13.675 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.176 -13.525 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.527 -16.322 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.257 -14.847 -3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.212 -15.871 -4.560 1.00 0.00 H new ATOM 1086 N ARG A 70 3.476 -13.347 -4.274 1.00 0.00 N ATOM 1087 CA ARG A 70 4.801 -12.799 -4.033 1.00 0.00 C ATOM 1088 C ARG A 70 4.975 -11.481 -4.783 1.00 0.00 C ATOM 1089 O ARG A 70 5.303 -10.453 -4.189 1.00 0.00 O ATOM 1090 CB ARG A 70 5.875 -13.793 -4.479 1.00 0.00 C ATOM 1091 CG ARG A 70 7.269 -13.416 -4.016 1.00 0.00 C ATOM 1092 CD ARG A 70 8.344 -14.064 -4.873 1.00 0.00 C ATOM 1093 NE ARG A 70 8.172 -15.511 -4.976 1.00 0.00 N ATOM 1094 CZ ARG A 70 9.069 -16.323 -5.528 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.194 -15.831 -6.031 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.840 -17.628 -5.581 1.00 0.00 N ATOM 0 H ARG A 70 3.461 -14.150 -4.903 1.00 0.00 H new ATOM 0 HA ARG A 70 4.908 -12.615 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.627 -14.782 -4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.867 -13.862 -5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.382 -12.332 -4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.401 -13.719 -2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.324 -13.626 -5.871 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.324 -13.846 -4.449 1.00 0.00 H new ATOM 0 HE ARG A 70 7.316 -15.922 -4.604 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.373 -14.827 -5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.880 -16.456 -6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.975 -18.010 -5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.529 -18.250 -6.005 1.00 0.00 H new ATOM 1110 N SER A 71 4.752 -11.527 -6.093 1.00 0.00 N ATOM 1111 CA SER A 71 4.875 -10.348 -6.942 1.00 0.00 C ATOM 1112 C SER A 71 3.927 -9.246 -6.484 1.00 0.00 C ATOM 1113 O SER A 71 4.173 -8.065 -6.724 1.00 0.00 O ATOM 1114 CB SER A 71 4.579 -10.712 -8.396 1.00 0.00 C ATOM 1115 OG SER A 71 4.744 -9.590 -9.247 1.00 0.00 O ATOM 0 H SER A 71 4.483 -12.375 -6.592 1.00 0.00 H new ATOM 0 HA SER A 71 5.898 -9.980 -6.864 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.243 -11.515 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.560 -11.089 -8.479 1.00 0.00 H new ATOM 0 HG SER A 71 4.550 -9.850 -10.172 1.00 0.00 H new ATOM 1121 N GLY A 72 2.842 -9.644 -5.828 1.00 0.00 N ATOM 1122 CA GLY A 72 1.875 -8.679 -5.346 1.00 0.00 C ATOM 1123 C GLY A 72 2.498 -7.646 -4.436 1.00 0.00 C ATOM 1124 O GLY A 72 2.240 -6.450 -4.570 1.00 0.00 O ATOM 0 H GLY A 72 2.616 -10.617 -5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.411 -8.178 -6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.081 -9.200 -4.810 1.00 0.00 H new ATOM 1128 N ALA A 73 3.321 -8.109 -3.506 1.00 0.00 N ATOM 1129 CA ALA A 73 3.991 -7.221 -2.572 1.00 0.00 C ATOM 1130 C ALA A 73 5.049 -6.392 -3.284 1.00 0.00 C ATOM 1131 O ALA A 73 5.333 -5.261 -2.893 1.00 0.00 O ATOM 1132 CB ALA A 73 4.621 -8.021 -1.442 1.00 0.00 C ATOM 0 H ALA A 73 3.540 -9.097 -3.380 1.00 0.00 H new ATOM 0 HA ALA A 73 3.249 -6.543 -2.151 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.120 -7.342 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.846 -8.575 -0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.350 -8.720 -1.853 1.00 0.00 H new ATOM 1138 N ALA A 74 5.626 -6.964 -4.336 1.00 0.00 N ATOM 1139 CA ALA A 74 6.665 -6.292 -5.107 1.00 0.00 C ATOM 1140 C ALA A 74 6.154 -5.003 -5.750 1.00 0.00 C ATOM 1141 O ALA A 74 6.751 -3.938 -5.589 1.00 0.00 O ATOM 1142 CB ALA A 74 7.216 -7.230 -6.169 1.00 0.00 C ATOM 0 H ALA A 74 5.390 -7.896 -4.675 1.00 0.00 H new ATOM 0 HA ALA A 74 7.464 -6.018 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.991 -6.719 -6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.640 -8.113 -5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.412 -7.532 -6.840 1.00 0.00 H new ATOM 1148 N ARG A 75 5.051 -5.109 -6.486 1.00 0.00 N ATOM 1149 CA ARG A 75 4.470 -3.957 -7.169 1.00 0.00 C ATOM 1150 C ARG A 75 3.939 -2.923 -6.179 1.00 0.00 C ATOM 1151 O ARG A 75 3.797 -1.746 -6.514 1.00 0.00 O ATOM 1152 CB ARG A 75 3.342 -4.408 -8.099 1.00 0.00 C ATOM 1153 CG ARG A 75 2.117 -4.923 -7.361 1.00 0.00 C ATOM 1154 CD ARG A 75 0.999 -5.288 -8.322 1.00 0.00 C ATOM 1155 NE ARG A 75 0.702 -4.205 -9.256 1.00 0.00 N ATOM 1156 CZ ARG A 75 0.618 -4.370 -10.573 1.00 0.00 C ATOM 1157 NH1 ARG A 75 0.828 -5.565 -11.110 1.00 0.00 N ATOM 1158 NH2 ARG A 75 0.327 -3.340 -11.355 1.00 0.00 N ATOM 0 H ARG A 75 4.541 -5.982 -6.625 1.00 0.00 H new ATOM 0 HA ARG A 75 5.261 -3.489 -7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.049 -3.572 -8.734 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.716 -5.192 -8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.389 -5.797 -6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.765 -4.163 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.279 -6.181 -8.880 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.101 -5.534 -7.756 1.00 0.00 H new ATOM 0 HE ARG A 75 0.551 -3.270 -8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.054 -6.360 -10.512 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.763 -5.689 -12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.167 -2.419 -10.947 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.263 -3.468 -12.365 1.00 0.00 H new ATOM 1172 N SER A 76 3.646 -3.367 -4.962 1.00 0.00 N ATOM 1173 CA SER A 76 3.123 -2.480 -3.926 1.00 0.00 C ATOM 1174 C SER A 76 4.081 -1.328 -3.641 1.00 0.00 C ATOM 1175 O SER A 76 3.654 -0.221 -3.320 1.00 0.00 O ATOM 1176 CB SER A 76 2.860 -3.269 -2.643 1.00 0.00 C ATOM 1177 OG SER A 76 2.421 -2.418 -1.600 1.00 0.00 O ATOM 0 H SER A 76 3.761 -4.337 -4.667 1.00 0.00 H new ATOM 0 HA SER A 76 2.187 -2.057 -4.290 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.108 -4.035 -2.832 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.770 -3.784 -2.337 1.00 0.00 H new ATOM 0 HG SER A 76 1.592 -2.772 -1.216 1.00 0.00 H new ATOM 1183 N LEU A 77 5.375 -1.596 -3.768 1.00 0.00 N ATOM 1184 CA LEU A 77 6.402 -0.584 -3.521 1.00 0.00 C ATOM 1185 C LEU A 77 6.177 0.661 -4.374 1.00 0.00 C ATOM 1186 O LEU A 77 5.962 1.755 -3.853 1.00 0.00 O ATOM 1187 CB LEU A 77 7.776 -1.154 -3.863 1.00 0.00 C ATOM 1188 CG LEU A 77 8.380 -2.137 -2.863 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.434 -3.289 -2.570 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.690 -2.661 -3.411 1.00 0.00 C ATOM 0 H LEU A 77 5.742 -2.508 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 77 6.346 -0.308 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.706 -1.652 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.469 -0.322 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 77 8.554 -1.612 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.898 -3.968 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.506 -2.900 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.219 -3.827 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.126 -3.364 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.511 -3.167 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.377 -1.830 -3.568 1.00 0.00 H new ATOM 1202 N GLU A 78 6.236 0.481 -5.689 1.00 0.00 N ATOM 1203 CA GLU A 78 6.031 1.581 -6.629 1.00 0.00 C ATOM 1204 C GLU A 78 4.694 2.273 -6.387 1.00 0.00 C ATOM 1205 O GLU A 78 4.562 3.480 -6.591 1.00 0.00 O ATOM 1206 CB GLU A 78 6.099 1.066 -8.068 1.00 0.00 C ATOM 1207 CG GLU A 78 7.433 0.430 -8.424 1.00 0.00 C ATOM 1208 CD GLU A 78 7.467 -0.095 -9.845 1.00 0.00 C ATOM 1209 OE1 GLU A 78 7.705 0.710 -10.770 1.00 0.00 O ATOM 1210 OE2 GLU A 78 7.253 -1.311 -10.035 1.00 0.00 O ATOM 0 H GLU A 78 6.425 -0.419 -6.131 1.00 0.00 H new ATOM 0 HA GLU A 78 6.825 2.310 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.305 0.335 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.907 1.894 -8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.228 1.164 -8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.637 -0.388 -7.733 1.00 0.00 H new ATOM 1217 N GLN A 79 3.706 1.500 -5.955 1.00 0.00 N ATOM 1218 CA GLN A 79 2.377 2.039 -5.686 1.00 0.00 C ATOM 1219 C GLN A 79 2.382 2.921 -4.442 1.00 0.00 C ATOM 1220 O GLN A 79 1.564 3.832 -4.313 1.00 0.00 O ATOM 1221 CB GLN A 79 1.370 0.905 -5.507 1.00 0.00 C ATOM 1222 CG GLN A 79 1.187 0.050 -6.750 1.00 0.00 C ATOM 1223 CD GLN A 79 0.289 -1.147 -6.504 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.284 -1.640 -5.272 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 -0.395 -1.620 -7.411 1.00 0.00 N flip ATOM 0 H GLN A 79 3.798 0.499 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 79 2.086 2.649 -6.541 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.695 0.269 -4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.407 1.328 -5.222 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.763 0.660 -7.548 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.161 -0.296 -7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.360 -1.209 -8.344 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.997 -2.423 -7.230 1.00 0.00 H new ATOM 1234 N ILE A 80 3.308 2.643 -3.530 1.00 0.00 N ATOM 1235 CA ILE A 80 3.409 3.402 -2.289 1.00 0.00 C ATOM 1236 C ILE A 80 4.202 4.694 -2.478 1.00 0.00 C ATOM 1237 O ILE A 80 3.685 5.783 -2.234 1.00 0.00 O ATOM 1238 CB ILE A 80 4.051 2.560 -1.166 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.140 1.386 -0.797 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.323 3.424 0.059 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.795 0.373 0.117 1.00 0.00 C ATOM 0 H ILE A 80 3.998 1.898 -3.627 1.00 0.00 H new ATOM 0 HA ILE A 80 2.391 3.661 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 80 5.000 2.166 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.242 1.772 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.820 0.885 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.776 2.814 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.003 4.233 -0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.386 3.844 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.090 -0.429 0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.677 -0.041 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.090 0.859 1.047 1.00 0.00 H new ATOM 1253 N GLY A 81 5.454 4.581 -2.910 1.00 0.00 N ATOM 1254 CA GLY A 81 6.267 5.769 -3.101 1.00 0.00 C ATOM 1255 C GLY A 81 7.659 5.469 -3.605 1.00 0.00 C ATOM 1256 O GLY A 81 7.836 4.965 -4.714 1.00 0.00 O ATOM 0 H GLY A 81 5.917 3.699 -3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.768 6.432 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.339 6.307 -2.156 1.00 0.00 H new ATOM 1260 N GLY A 82 8.651 5.798 -2.785 1.00 0.00 N ATOM 1261 CA GLY A 82 10.034 5.564 -3.148 1.00 0.00 C ATOM 1262 C GLY A 82 10.936 5.497 -1.934 1.00 0.00 C ATOM 1263 O GLY A 82 11.424 4.428 -1.575 1.00 0.00 O ATOM 0 H GLY A 82 8.519 6.226 -1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.109 4.631 -3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.375 6.361 -3.809 1.00 0.00 H new ATOM 1267 N GLU A 83 11.148 6.645 -1.302 1.00 0.00 N ATOM 1268 CA GLU A 83 11.996 6.735 -0.118 1.00 0.00 C ATOM 1269 C GLU A 83 11.318 6.107 1.097 1.00 0.00 C ATOM 1270 O GLU A 83 11.980 5.719 2.059 1.00 0.00 O ATOM 1271 CB GLU A 83 12.333 8.198 0.174 1.00 0.00 C ATOM 1272 CG GLU A 83 13.270 8.385 1.355 1.00 0.00 C ATOM 1273 CD GLU A 83 13.575 9.845 1.630 1.00 0.00 C ATOM 1274 OE1 GLU A 83 12.773 10.497 2.330 1.00 0.00 O ATOM 1275 OE2 GLU A 83 14.615 10.336 1.144 1.00 0.00 O ATOM 0 H GLU A 83 10.741 7.534 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 83 12.915 6.183 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.787 8.641 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.409 8.743 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.824 7.937 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.202 7.853 1.163 1.00 0.00 H new ATOM 1282 N ARG A 84 9.994 6.007 1.043 1.00 0.00 N ATOM 1283 CA ARG A 84 9.225 5.448 2.147 1.00 0.00 C ATOM 1284 C ARG A 84 9.350 3.934 2.193 1.00 0.00 C ATOM 1285 O ARG A 84 9.764 3.370 3.205 1.00 0.00 O ATOM 1286 CB ARG A 84 7.747 5.868 2.066 1.00 0.00 C ATOM 1287 CG ARG A 84 7.182 5.928 0.650 1.00 0.00 C ATOM 1288 CD ARG A 84 7.383 7.305 0.022 1.00 0.00 C ATOM 1289 NE ARG A 84 6.855 8.378 0.860 1.00 0.00 N ATOM 1290 CZ ARG A 84 7.059 9.670 0.616 1.00 0.00 C ATOM 1291 NH1 ARG A 84 7.775 10.046 -0.437 1.00 0.00 N ATOM 1292 NH2 ARG A 84 6.547 10.588 1.423 1.00 0.00 N ATOM 0 H ARG A 84 9.432 6.306 0.246 1.00 0.00 H new ATOM 0 HA ARG A 84 9.640 5.850 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.151 5.168 2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.635 6.848 2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.666 5.172 0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.119 5.689 0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.446 7.472 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.894 7.333 -0.952 1.00 0.00 H new ATOM 0 HE ARG A 84 6.300 8.123 1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.171 9.344 -1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.929 11.037 -0.621 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.995 10.305 2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.705 11.578 1.234 1.00 0.00 H new ATOM 1306 N VAL A 85 8.993 3.278 1.100 1.00 0.00 N ATOM 1307 CA VAL A 85 9.087 1.826 1.037 1.00 0.00 C ATOM 1308 C VAL A 85 10.547 1.405 1.044 1.00 0.00 C ATOM 1309 O VAL A 85 10.895 0.341 1.554 1.00 0.00 O ATOM 1310 CB VAL A 85 8.409 1.256 -0.225 1.00 0.00 C ATOM 1311 CG1 VAL A 85 7.770 -0.091 0.073 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.380 2.230 -0.772 1.00 0.00 C ATOM 0 H VAL A 85 8.639 3.721 0.252 1.00 0.00 H new ATOM 0 HA VAL A 85 8.570 1.429 1.910 1.00 0.00 H new ATOM 0 HB VAL A 85 9.175 1.110 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.297 -0.477 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.536 -0.791 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.019 0.027 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.915 1.806 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.616 2.415 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.869 3.169 -1.030 1.00 0.00 H new ATOM 1322 N ARG A 86 11.395 2.273 0.497 1.00 0.00 N ATOM 1323 CA ARG A 86 12.835 2.018 0.410 1.00 0.00 C ATOM 1324 C ARG A 86 13.382 1.396 1.692 1.00 0.00 C ATOM 1325 O ARG A 86 14.290 0.568 1.649 1.00 0.00 O ATOM 1326 CB ARG A 86 13.588 3.317 0.115 1.00 0.00 C ATOM 1327 CG ARG A 86 15.099 3.154 0.083 1.00 0.00 C ATOM 1328 CD ARG A 86 15.796 4.492 -0.084 1.00 0.00 C ATOM 1329 NE ARG A 86 15.533 5.387 1.040 1.00 0.00 N ATOM 1330 CZ ARG A 86 16.311 6.415 1.366 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.391 6.691 0.646 1.00 0.00 N ATOM 1332 NH2 ARG A 86 16.008 7.171 2.412 1.00 0.00 N ATOM 0 H ARG A 86 11.108 3.169 0.103 1.00 0.00 H new ATOM 0 HA ARG A 86 12.988 1.309 -0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.254 3.710 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.327 4.057 0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.435 2.679 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.378 2.492 -0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 86 16.870 4.333 -0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.462 4.963 -1.009 1.00 0.00 H new ATOM 0 HE ARG A 86 14.704 5.213 1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.627 6.114 -0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.985 7.480 0.900 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.178 6.964 2.967 1.00 0.00 H new ATOM 0 HH22 ARG A 86 16.605 7.959 2.662 1.00 0.00 H new ATOM 1346 N ALA A 87 12.829 1.801 2.827 1.00 0.00 N ATOM 1347 CA ALA A 87 13.264 1.285 4.118 1.00 0.00 C ATOM 1348 C ALA A 87 13.147 -0.232 4.160 1.00 0.00 C ATOM 1349 O ALA A 87 14.088 -0.928 4.543 1.00 0.00 O ATOM 1350 CB ALA A 87 12.447 1.912 5.239 1.00 0.00 C ATOM 0 H ALA A 87 12.076 2.487 2.880 1.00 0.00 H new ATOM 0 HA ALA A 87 14.312 1.550 4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.782 1.518 6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.580 2.994 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.393 1.674 5.098 1.00 0.00 H new ATOM 1356 N ALA A 88 11.985 -0.736 3.762 1.00 0.00 N ATOM 1357 CA ALA A 88 11.743 -2.170 3.744 1.00 0.00 C ATOM 1358 C ALA A 88 12.569 -2.845 2.660 1.00 0.00 C ATOM 1359 O ALA A 88 13.020 -3.977 2.829 1.00 0.00 O ATOM 1360 CB ALA A 88 10.262 -2.453 3.542 1.00 0.00 C ATOM 0 H ALA A 88 11.196 -0.171 3.448 1.00 0.00 H new ATOM 0 HA ALA A 88 12.048 -2.581 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.096 -3.530 3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.692 -2.006 4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.936 -2.025 2.594 1.00 0.00 H new ATOM 1366 N MET A 89 12.764 -2.147 1.544 1.00 0.00 N ATOM 1367 CA MET A 89 13.553 -2.682 0.444 1.00 0.00 C ATOM 1368 C MET A 89 14.963 -2.952 0.923 1.00 0.00 C ATOM 1369 O MET A 89 15.522 -4.020 0.681 1.00 0.00 O ATOM 1370 CB MET A 89 13.579 -1.708 -0.731 1.00 0.00 C ATOM 1371 CG MET A 89 12.259 -1.588 -1.479 1.00 0.00 C ATOM 1372 SD MET A 89 10.803 -1.536 -0.410 1.00 0.00 S ATOM 1373 CE MET A 89 10.454 -3.280 -0.167 1.00 0.00 C ATOM 0 H MET A 89 12.387 -1.213 1.380 1.00 0.00 H new ATOM 0 HA MET A 89 13.096 -3.611 0.104 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.865 -0.722 -0.364 1.00 0.00 H new ATOM 0 HB3 MET A 89 14.352 -2.024 -1.432 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.281 -0.685 -2.089 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.164 -2.432 -2.163 1.00 0.00 H new ATOM 0 HE1 MET A 89 9.430 -3.492 -0.474 1.00 0.00 H new ATOM 0 HE2 MET A 89 11.143 -3.876 -0.766 1.00 0.00 H new ATOM 0 HE3 MET A 89 10.577 -3.532 0.886 1.00 0.00 H new ATOM 1383 N GLU A 90 15.535 -1.962 1.594 1.00 0.00 N ATOM 1384 CA GLU A 90 16.870 -2.090 2.152 1.00 0.00 C ATOM 1385 C GLU A 90 16.919 -3.297 3.073 1.00 0.00 C ATOM 1386 O GLU A 90 17.928 -3.998 3.154 1.00 0.00 O ATOM 1387 CB GLU A 90 17.241 -0.833 2.938 1.00 0.00 C ATOM 1388 CG GLU A 90 17.406 0.406 2.076 1.00 0.00 C ATOM 1389 CD GLU A 90 17.923 1.595 2.863 1.00 0.00 C ATOM 1390 OE1 GLU A 90 17.099 2.308 3.472 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.153 1.809 2.872 1.00 0.00 O ATOM 0 H GLU A 90 15.092 -1.059 1.764 1.00 0.00 H new ATOM 0 HA GLU A 90 17.583 -2.218 1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.471 -0.643 3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 90 18.171 -1.015 3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.094 0.188 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.447 0.662 1.625 1.00 0.00 H new ATOM 1398 N LYS A 91 15.809 -3.528 3.769 1.00 0.00 N ATOM 1399 CA LYS A 91 15.706 -4.654 4.690 1.00 0.00 C ATOM 1400 C LYS A 91 15.499 -5.963 3.932 1.00 0.00 C ATOM 1401 O LYS A 91 15.857 -7.034 4.423 1.00 0.00 O ATOM 1402 CB LYS A 91 14.557 -4.430 5.677 1.00 0.00 C ATOM 1403 CG LYS A 91 14.889 -4.835 7.105 1.00 0.00 C ATOM 1404 CD LYS A 91 15.018 -6.343 7.248 1.00 0.00 C ATOM 1405 CE LYS A 91 15.309 -6.742 8.685 1.00 0.00 C ATOM 1406 NZ LYS A 91 15.312 -8.221 8.861 1.00 0.00 N ATOM 0 H LYS A 91 14.970 -2.951 3.712 1.00 0.00 H new ATOM 0 HA LYS A 91 16.642 -4.724 5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.278 -3.376 5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.687 -4.994 5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.821 -4.360 7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 91 14.111 -4.471 7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.097 -6.821 6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.816 -6.704 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.276 -6.339 8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.561 -6.300 9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.514 -8.452 9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.381 -8.604 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.043 -8.642 8.252 1.00 0.00 H new ATOM 1420 N LEU A 92 14.930 -5.877 2.733 1.00 0.00 N ATOM 1421 CA LEU A 92 14.691 -7.056 1.926 1.00 0.00 C ATOM 1422 C LEU A 92 15.951 -7.401 1.140 1.00 0.00 C ATOM 1423 O LEU A 92 16.172 -8.553 0.773 1.00 0.00 O ATOM 1424 CB LEU A 92 13.492 -6.814 1.001 1.00 0.00 C ATOM 1425 CG LEU A 92 13.577 -7.455 -0.382 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.478 -8.973 -0.285 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.479 -6.910 -1.283 1.00 0.00 C ATOM 0 H LEU A 92 14.628 -5.002 2.305 1.00 0.00 H new ATOM 0 HA LEU A 92 14.452 -7.905 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.595 -7.184 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.366 -5.739 0.875 1.00 0.00 H new ATOM 0 HG LEU A 92 14.545 -7.205 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.541 -9.406 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.296 -9.353 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.526 -9.247 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.551 -7.375 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.506 -7.133 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.593 -5.831 -1.383 1.00 0.00 H new ATOM 1439 N ALA A 93 16.782 -6.392 0.902 1.00 0.00 N ATOM 1440 CA ALA A 93 18.033 -6.586 0.183 1.00 0.00 C ATOM 1441 C ALA A 93 18.920 -7.565 0.941 1.00 0.00 C ATOM 1442 O ALA A 93 19.740 -8.269 0.351 1.00 0.00 O ATOM 1443 CB ALA A 93 18.752 -5.260 0.007 1.00 0.00 C ATOM 0 H ALA A 93 16.610 -5.431 1.197 1.00 0.00 H new ATOM 0 HA ALA A 93 17.812 -6.995 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.686 -5.421 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.120 -4.576 -0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.968 -4.830 0.985 1.00 0.00 H new ATOM 1449 N GLU A 94 18.738 -7.599 2.258 1.00 0.00 N ATOM 1450 CA GLU A 94 19.508 -8.482 3.123 1.00 0.00 C ATOM 1451 C GLU A 94 18.933 -9.893 3.083 1.00 0.00 C ATOM 1452 O GLU A 94 19.637 -10.873 3.330 1.00 0.00 O ATOM 1453 CB GLU A 94 19.507 -7.944 4.552 1.00 0.00 C ATOM 1454 CG GLU A 94 20.370 -8.746 5.510 1.00 0.00 C ATOM 1455 CD GLU A 94 21.805 -8.879 5.034 1.00 0.00 C ATOM 1456 OE1 GLU A 94 22.617 -7.981 5.338 1.00 0.00 O ATOM 1457 OE2 GLU A 94 22.114 -9.883 4.356 1.00 0.00 O ATOM 0 H GLU A 94 18.058 -7.020 2.751 1.00 0.00 H new ATOM 0 HA GLU A 94 20.537 -8.519 2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.856 -6.911 4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.483 -7.931 4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.359 -8.268 6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.940 -9.740 5.636 1.00 0.00 H new ATOM 1464 N THR A 95 17.644 -9.982 2.771 1.00 0.00 N ATOM 1465 CA THR A 95 16.964 -11.267 2.661 1.00 0.00 C ATOM 1466 C THR A 95 16.652 -11.530 1.201 1.00 0.00 C ATOM 1467 O THR A 95 15.824 -12.377 0.862 1.00 0.00 O ATOM 1468 CB THR A 95 15.655 -11.304 3.474 1.00 0.00 C ATOM 1469 OG1 THR A 95 14.926 -10.086 3.287 1.00 0.00 O ATOM 1470 CG2 THR A 95 15.939 -11.513 4.954 1.00 0.00 C ATOM 0 H THR A 95 17.047 -9.175 2.589 1.00 0.00 H new ATOM 0 HA THR A 95 17.624 -12.034 3.065 1.00 0.00 H new ATOM 0 HB THR A 95 15.056 -12.142 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.095 -10.119 3.806 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.999 -11.535 5.505 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.464 -12.458 5.094 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.558 -10.696 5.325 1.00 0.00 H new ATOM 1478 N GLY A 96 17.340 -10.784 0.343 1.00 0.00 N ATOM 1479 CA GLY A 96 17.145 -10.899 -1.083 1.00 0.00 C ATOM 1480 C GLY A 96 17.311 -12.312 -1.598 1.00 0.00 C ATOM 1481 O GLY A 96 18.391 -12.895 -1.508 1.00 0.00 O ATOM 0 H GLY A 96 18.038 -10.093 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.147 -10.542 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.855 -10.248 -1.593 1.00 0.00 H new ATOM 1485 N THR A 97 16.231 -12.857 -2.137 1.00 0.00 N ATOM 1486 CA THR A 97 16.247 -14.206 -2.689 1.00 0.00 C ATOM 1487 C THR A 97 15.388 -14.291 -3.948 1.00 0.00 C ATOM 1488 O THR A 97 14.252 -13.819 -3.970 1.00 0.00 O ATOM 1489 CB THR A 97 15.749 -15.245 -1.666 1.00 0.00 C ATOM 1490 OG1 THR A 97 15.751 -16.550 -2.256 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.349 -14.907 -1.177 1.00 0.00 C ATOM 0 H THR A 97 15.329 -12.385 -2.205 1.00 0.00 H new ATOM 0 HA THR A 97 17.283 -14.432 -2.941 1.00 0.00 H new ATOM 0 HB THR A 97 16.425 -15.228 -0.811 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.435 -17.206 -1.600 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.024 -15.658 -0.456 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.357 -13.926 -0.701 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.661 -14.894 -2.023 1.00 0.00 H new ATOM 1499 N GLY A 98 15.943 -14.890 -4.999 1.00 0.00 N ATOM 1500 CA GLY A 98 15.215 -15.024 -6.247 1.00 0.00 C ATOM 1501 C GLY A 98 14.739 -13.690 -6.789 1.00 0.00 C ATOM 1502 O GLY A 98 15.537 -12.772 -6.987 1.00 0.00 O ATOM 0 H GLY A 98 16.884 -15.284 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.854 -15.506 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.356 -15.678 -6.094 1.00 0.00 H new ATOM 1506 N PHE A 99 13.437 -13.584 -7.032 1.00 0.00 N ATOM 1507 CA PHE A 99 12.847 -12.354 -7.546 1.00 0.00 C ATOM 1508 C PHE A 99 12.649 -11.348 -6.417 1.00 0.00 C ATOM 1509 O PHE A 99 12.706 -10.139 -6.632 1.00 0.00 O ATOM 1510 CB PHE A 99 11.510 -12.659 -8.233 1.00 0.00 C ATOM 1511 CG PHE A 99 10.722 -11.434 -8.605 1.00 0.00 C ATOM 1512 CD1 PHE A 99 11.114 -10.637 -9.668 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.585 -11.084 -7.892 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.387 -9.513 -10.013 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.855 -9.962 -8.233 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.257 -9.175 -9.295 1.00 0.00 C ATOM 0 H PHE A 99 12.768 -14.339 -6.880 1.00 0.00 H new ATOM 0 HA PHE A 99 13.526 -11.919 -8.279 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.700 -13.244 -9.133 1.00 0.00 H new ATOM 0 HB3 PHE A 99 10.906 -13.280 -7.571 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.997 -10.897 -10.233 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.267 -11.696 -7.061 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.703 -8.899 -10.844 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.971 -9.700 -7.670 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.688 -8.297 -9.563 1.00 0.00 H new ATOM 1526 N ALA A 100 12.424 -11.865 -5.211 1.00 0.00 N ATOM 1527 CA ALA A 100 12.219 -11.028 -4.032 1.00 0.00 C ATOM 1528 C ALA A 100 13.322 -9.985 -3.889 1.00 0.00 C ATOM 1529 O ALA A 100 13.072 -8.858 -3.466 1.00 0.00 O ATOM 1530 CB ALA A 100 12.155 -11.896 -2.786 1.00 0.00 C ATOM 0 H ALA A 100 12.379 -12.867 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 100 11.274 -10.499 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.002 -11.265 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.328 -12.600 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.090 -12.446 -2.678 1.00 0.00 H new ATOM 1536 N ARG A 101 14.542 -10.367 -4.248 1.00 0.00 N ATOM 1537 CA ARG A 101 15.689 -9.468 -4.151 1.00 0.00 C ATOM 1538 C ARG A 101 15.617 -8.351 -5.185 1.00 0.00 C ATOM 1539 O ARG A 101 15.578 -7.171 -4.836 1.00 0.00 O ATOM 1540 CB ARG A 101 16.983 -10.245 -4.351 1.00 0.00 C ATOM 1541 CG ARG A 101 18.227 -9.384 -4.222 1.00 0.00 C ATOM 1542 CD ARG A 101 19.415 -10.185 -3.726 1.00 0.00 C ATOM 1543 NE ARG A 101 20.609 -9.356 -3.595 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.848 -9.805 -3.767 1.00 0.00 C ATOM 1545 NH1 ARG A 101 22.063 -11.078 -4.072 1.00 0.00 N ATOM 1546 NH2 ARG A 101 22.875 -8.978 -3.632 1.00 0.00 N ATOM 0 H ARG A 101 14.764 -11.295 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 101 15.669 -9.022 -3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.031 -11.052 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.971 -10.709 -5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.465 -8.941 -5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.030 -8.561 -3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.175 -10.632 -2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.615 -11.004 -4.416 1.00 0.00 H new ATOM 0 HE ARG A 101 20.485 -8.372 -3.357 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.275 -11.718 -4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 101 23.016 -11.417 -4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.714 -7.999 -3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.827 -9.321 -3.764 1.00 0.00 H new ATOM 1560 N LYS A 102 15.616 -8.739 -6.458 1.00 0.00 N ATOM 1561 CA LYS A 102 15.562 -7.785 -7.558 1.00 0.00 C ATOM 1562 C LYS A 102 14.468 -6.746 -7.335 1.00 0.00 C ATOM 1563 O LYS A 102 14.511 -5.652 -7.891 1.00 0.00 O ATOM 1564 CB LYS A 102 15.321 -8.521 -8.877 1.00 0.00 C ATOM 1565 CG LYS A 102 15.433 -7.624 -10.100 1.00 0.00 C ATOM 1566 CD LYS A 102 16.869 -7.188 -10.346 1.00 0.00 C ATOM 1567 CE LYS A 102 17.749 -8.360 -10.751 1.00 0.00 C ATOM 1568 NZ LYS A 102 19.170 -7.952 -10.936 1.00 0.00 N ATOM 0 H LYS A 102 15.652 -9.715 -6.752 1.00 0.00 H new ATOM 0 HA LYS A 102 16.519 -7.266 -7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.040 -9.336 -8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.329 -8.972 -8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.058 -8.154 -10.976 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.803 -6.745 -9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.890 -6.429 -11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.269 -6.727 -9.443 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.691 -9.137 -9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.372 -8.793 -11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 19.736 -8.780 -11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 19.229 -7.229 -11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.538 -7.562 -10.045 1.00 0.00 H new ATOM 1582 N VAL A 103 13.492 -7.097 -6.510 1.00 0.00 N ATOM 1583 CA VAL A 103 12.381 -6.209 -6.204 1.00 0.00 C ATOM 1584 C VAL A 103 12.849 -4.939 -5.487 1.00 0.00 C ATOM 1585 O VAL A 103 12.655 -3.831 -5.982 1.00 0.00 O ATOM 1586 CB VAL A 103 11.337 -6.937 -5.337 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.349 -5.954 -4.726 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.607 -7.983 -6.162 1.00 0.00 C ATOM 0 H VAL A 103 13.448 -8.000 -6.037 1.00 0.00 H new ATOM 0 HA VAL A 103 11.929 -5.916 -7.152 1.00 0.00 H new ATOM 0 HB VAL A 103 11.860 -7.435 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.624 -6.497 -4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.885 -5.241 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.829 -5.419 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.872 -8.491 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.101 -7.499 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.323 -8.711 -6.543 1.00 0.00 H new ATOM 1598 N ALA A 104 13.463 -5.114 -4.321 1.00 0.00 N ATOM 1599 CA ALA A 104 13.947 -3.988 -3.520 1.00 0.00 C ATOM 1600 C ALA A 104 14.941 -3.116 -4.282 1.00 0.00 C ATOM 1601 O ALA A 104 14.698 -1.933 -4.524 1.00 0.00 O ATOM 1602 CB ALA A 104 14.601 -4.506 -2.250 1.00 0.00 C ATOM 0 H ALA A 104 13.639 -6.029 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 104 13.083 -3.369 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.960 -3.665 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.873 -5.074 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.440 -5.151 -2.510 1.00 0.00 H new ATOM 1608 N VAL A 105 16.058 -3.723 -4.649 1.00 0.00 N ATOM 1609 CA VAL A 105 17.138 -3.037 -5.354 1.00 0.00 C ATOM 1610 C VAL A 105 16.667 -2.298 -6.610 1.00 0.00 C ATOM 1611 O VAL A 105 16.880 -1.095 -6.740 1.00 0.00 O ATOM 1612 CB VAL A 105 18.261 -4.025 -5.737 1.00 0.00 C ATOM 1613 CG1 VAL A 105 17.696 -5.235 -6.463 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.326 -3.338 -6.581 1.00 0.00 C ATOM 0 H VAL A 105 16.246 -4.709 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 105 17.518 -2.291 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 105 18.730 -4.372 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 105 18.507 -5.916 -6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 105 16.984 -5.748 -5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 105 17.191 -4.910 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 105 20.106 -4.055 -6.838 1.00 0.00 H new ATOM 0 HG22 VAL A 105 18.873 -2.952 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 105 19.763 -2.514 -6.016 1.00 0.00 H new ATOM 1624 N ASN A 106 16.039 -3.018 -7.532 1.00 0.00 N ATOM 1625 CA ASN A 106 15.571 -2.416 -8.780 1.00 0.00 C ATOM 1626 C ASN A 106 14.568 -1.293 -8.531 1.00 0.00 C ATOM 1627 O ASN A 106 14.546 -0.303 -9.262 1.00 0.00 O ATOM 1628 CB ASN A 106 14.943 -3.474 -9.688 1.00 0.00 C ATOM 1629 CG ASN A 106 14.537 -2.912 -11.038 1.00 0.00 C ATOM 1630 OD1 ASN A 106 15.158 -1.979 -11.546 1.00 0.00 O ATOM 1631 ND2 ASN A 106 13.489 -3.478 -11.624 1.00 0.00 N ATOM 0 H ASN A 106 15.842 -4.015 -7.442 1.00 0.00 H new ATOM 0 HA ASN A 106 16.443 -1.987 -9.273 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.652 -4.289 -9.835 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.068 -3.898 -9.196 1.00 0.00 H new ATOM 0 HD21 ASN A 106 13.169 -3.141 -12.532 1.00 0.00 H new ATOM 0 HD22 ASN A 106 13.004 -4.250 -11.166 1.00 0.00 H new ATOM 1638 N TYR A 107 13.739 -1.451 -7.506 1.00 0.00 N ATOM 1639 CA TYR A 107 12.735 -0.462 -7.179 1.00 0.00 C ATOM 1640 C TYR A 107 13.386 0.868 -6.822 1.00 0.00 C ATOM 1641 O TYR A 107 12.779 1.929 -6.965 1.00 0.00 O ATOM 1642 CB TYR A 107 11.882 -0.981 -6.033 1.00 0.00 C ATOM 1643 CG TYR A 107 11.033 0.067 -5.376 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.010 0.708 -6.057 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.260 0.403 -4.063 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.236 1.663 -5.431 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.493 1.350 -3.422 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.480 1.978 -4.111 1.00 0.00 C ATOM 1649 OH TYR A 107 8.706 2.914 -3.475 1.00 0.00 O ATOM 0 H TYR A 107 13.748 -2.262 -6.887 1.00 0.00 H new ATOM 0 HA TYR A 107 12.098 -0.289 -8.046 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.235 -1.775 -6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.534 -1.428 -5.282 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.817 0.457 -7.089 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.057 -0.086 -3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.444 2.161 -5.971 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.684 1.598 -2.388 1.00 0.00 H new ATOM 0 HH TYR A 107 8.055 3.284 -4.107 1.00 0.00 H new ATOM 1659 N LEU A 108 14.629 0.795 -6.358 1.00 0.00 N ATOM 1660 CA LEU A 108 15.380 1.984 -5.982 1.00 0.00 C ATOM 1661 C LEU A 108 15.513 2.932 -7.169 1.00 0.00 C ATOM 1662 O LEU A 108 15.900 4.091 -7.014 1.00 0.00 O ATOM 1663 CB LEU A 108 16.766 1.592 -5.472 1.00 0.00 C ATOM 1664 CG LEU A 108 16.781 0.728 -4.208 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.208 0.349 -3.844 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.111 1.456 -3.051 1.00 0.00 C ATOM 0 H LEU A 108 15.138 -0.080 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 108 14.838 2.495 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.288 1.055 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.333 2.502 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 108 16.219 -0.184 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.203 -0.265 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.656 -0.213 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 108 18.790 1.253 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.132 0.825 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.643 2.385 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.077 1.680 -3.312 1.00 0.00 H new ATOM 1678 N GLU A 109 15.192 2.425 -8.355 1.00 0.00 N ATOM 1679 CA GLU A 109 15.268 3.217 -9.576 1.00 0.00 C ATOM 1680 C GLU A 109 14.260 4.365 -9.536 1.00 0.00 C ATOM 1681 O GLU A 109 14.257 5.232 -10.410 1.00 0.00 O ATOM 1682 CB GLU A 109 15.010 2.329 -10.796 1.00 0.00 C ATOM 1683 CG GLU A 109 15.385 2.977 -12.119 1.00 0.00 C ATOM 1684 CD GLU A 109 15.131 2.067 -13.304 1.00 0.00 C ATOM 1685 OE1 GLU A 109 15.985 1.197 -13.581 1.00 0.00 O ATOM 1686 OE2 GLU A 109 14.078 2.221 -13.957 1.00 0.00 O ATOM 0 H GLU A 109 14.876 1.466 -8.496 1.00 0.00 H new ATOM 0 HA GLU A 109 16.269 3.641 -9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.573 1.402 -10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.954 2.060 -10.821 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.815 3.898 -12.243 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.439 3.255 -12.098 1.00 0.00 H new ATOM 1693 N THR A 110 13.411 4.362 -8.512 1.00 0.00 N ATOM 1694 CA THR A 110 12.402 5.402 -8.346 1.00 0.00 C ATOM 1695 C THR A 110 12.926 6.522 -7.454 1.00 0.00 C ATOM 1696 O THR A 110 12.836 7.699 -7.803 1.00 0.00 O ATOM 1697 CB THR A 110 11.105 4.836 -7.735 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.382 4.245 -6.460 1.00 0.00 O ATOM 1699 CG2 THR A 110 10.481 3.799 -8.655 1.00 0.00 C ATOM 0 H THR A 110 13.403 3.648 -7.783 1.00 0.00 H new ATOM 0 HA THR A 110 12.180 5.797 -9.337 1.00 0.00 H new ATOM 0 HB THR A 110 10.400 5.658 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.766 3.353 -6.590 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.567 3.414 -8.202 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.245 4.259 -9.615 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.183 2.979 -8.809 1.00 0.00 H new ATOM 1707 N HIS A 111 13.472 6.147 -6.300 1.00 0.00 N ATOM 1708 CA HIS A 111 14.020 7.124 -5.364 1.00 0.00 C ATOM 1709 C HIS A 111 15.287 6.591 -4.701 1.00 0.00 C ATOM 1710 O HIS A 111 16.389 6.893 -5.204 1.00 0.00 O ATOM 1711 CB HIS A 111 12.986 7.487 -4.296 1.00 0.00 C ATOM 1712 CG HIS A 111 13.354 8.701 -3.499 1.00 0.00 C ATOM 1713 ND1 HIS A 111 14.417 8.734 -2.620 1.00 0.00 N ATOM 1714 CD2 HIS A 111 12.798 9.936 -3.459 1.00 0.00 C ATOM 1715 CE1 HIS A 111 14.498 9.934 -2.073 1.00 0.00 C ATOM 1716 NE2 HIS A 111 13.529 10.681 -2.566 1.00 0.00 N ATOM 1717 OXT HIS A 111 15.166 5.873 -3.686 1.00 0.00 O ATOM 0 H HIS A 111 13.547 5.178 -5.992 1.00 0.00 H new ATOM 0 HA HIS A 111 14.274 8.021 -5.928 1.00 0.00 H new ATOM 0 HB2 HIS A 111 12.022 7.656 -4.777 1.00 0.00 H new ATOM 0 HB3 HIS A 111 12.861 6.642 -3.619 1.00 0.00 H new ATOM 0 HD2 HIS A 111 11.941 10.272 -4.024 1.00 0.00 H new ATOM 0 HE1 HIS A 111 15.232 10.249 -1.346 1.00 0.00 H new ATOM 0 HE2 HIS A 111 13.351 11.656 -2.323 1.00 0.00 H new TER 1726 HIS A 111