USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 ASN : amide:sc= 0 X(o=-2.3,f=-2.5) USER MOD Set 1.2: A 24 ASN :FLIP amide:sc= -2.32! C(o=-3.2!,f=-2.3!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.117 K(o=-0.12,f=-2.6!) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.755! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -9:sc= -4.2! USER MOD Single : A 29 GLN : amide:sc= -0.101 K(o=-0.1,f=-2.3!) USER MOD Single : A 30 THR OG1 : rot -150:sc=-0.00115 USER MOD Single : A 32 GLN : amide:sc=-0.00809 K(o=-0.0081,f=-1.4!) USER MOD Single : A 35 ASN : amide:sc= -0.815 K(o=-0.82,f=-9.4!) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.88 F(o=-2.5!,f=-0.88) USER MOD Single : A 44 THR OG1 : rot 64:sc= 0.57 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 156:sc= -9.89! (180deg=-13!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -125:sc= -11.2! (180deg=-13.8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.9!) USER MOD Single : A 81 MET CE :methyl -168:sc= -1.36 (180deg=-1.72) USER MOD Single : A 82 THR OG1 : rot -60:sc= 0.961 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.333) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 101 HIS : no HE2:sc= -31.5! C(o=-31!,f=-38!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 165:sc= -0.0476 (180deg=-0.6) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 130:sc= -0.686 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 2.963 -11.888 -1.254 1.00 0.00 N ATOM 52 CA GLU A 4 2.339 -10.603 -1.679 1.00 0.00 C ATOM 53 C GLU A 4 3.381 -9.484 -1.616 1.00 0.00 C ATOM 54 O GLU A 4 3.986 -9.244 -0.589 1.00 0.00 O ATOM 55 CB GLU A 4 1.174 -10.268 -0.746 1.00 0.00 C ATOM 56 CG GLU A 4 0.058 -11.300 -0.931 1.00 0.00 C ATOM 57 CD GLU A 4 0.382 -12.554 -0.117 1.00 0.00 C ATOM 58 OE1 GLU A 4 1.098 -13.400 -0.628 1.00 0.00 O ATOM 59 OE2 GLU A 4 -0.091 -12.648 1.003 1.00 0.00 O ATOM 0 HA GLU A 4 1.970 -10.699 -2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.513 -10.265 0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.798 -9.268 -0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.896 -10.881 -0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.045 -11.555 -1.986 1.00 0.00 H new ATOM 66 N LYS A 5 3.596 -8.797 -2.704 1.00 0.00 N ATOM 67 CA LYS A 5 4.598 -7.696 -2.705 1.00 0.00 C ATOM 68 C LYS A 5 4.079 -6.535 -3.557 1.00 0.00 C ATOM 69 O LYS A 5 3.627 -6.724 -4.669 1.00 0.00 O ATOM 70 CB LYS A 5 5.917 -8.206 -3.287 1.00 0.00 C ATOM 71 CG LYS A 5 6.720 -8.912 -2.192 1.00 0.00 C ATOM 72 CD LYS A 5 6.666 -10.425 -2.414 1.00 0.00 C ATOM 73 CE LYS A 5 8.083 -10.999 -2.357 1.00 0.00 C ATOM 74 NZ LYS A 5 8.109 -12.328 -3.030 1.00 0.00 N ATOM 0 H LYS A 5 3.120 -8.951 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 5 4.761 -7.353 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.722 -8.894 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.492 -7.375 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.754 -8.568 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.315 -8.663 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.042 -10.893 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.211 -10.646 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.782 -10.319 -2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.405 -11.098 -1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.072 -12.718 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.454 -12.975 -2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.819 -12.220 -4.023 1.00 0.00 H new ATOM 88 N ILE A 6 4.139 -5.336 -3.045 1.00 0.00 N ATOM 89 CA ILE A 6 3.649 -4.167 -3.827 1.00 0.00 C ATOM 90 C ILE A 6 4.443 -2.920 -3.433 1.00 0.00 C ATOM 91 O ILE A 6 4.954 -2.819 -2.336 1.00 0.00 O ATOM 92 CB ILE A 6 2.165 -3.942 -3.531 1.00 0.00 C ATOM 93 CG1 ILE A 6 1.367 -5.173 -3.967 1.00 0.00 C ATOM 94 CG2 ILE A 6 1.671 -2.716 -4.300 1.00 0.00 C ATOM 95 CD1 ILE A 6 -0.091 -5.016 -3.532 1.00 0.00 C ATOM 0 H ILE A 6 4.506 -5.116 -2.119 1.00 0.00 H new ATOM 0 HA ILE A 6 3.782 -4.360 -4.891 1.00 0.00 H new ATOM 0 HB ILE A 6 2.028 -3.779 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.424 -5.292 -5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.795 -6.072 -3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.614 -2.556 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.240 -1.839 -3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.807 -2.878 -5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.660 -5.893 -3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.139 -4.918 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.515 -4.125 -3.996 1.00 0.00 H new ATOM 107 N LEU A 7 4.550 -1.968 -4.320 1.00 0.00 N ATOM 108 CA LEU A 7 5.312 -0.729 -3.994 1.00 0.00 C ATOM 109 C LEU A 7 4.469 0.497 -4.353 1.00 0.00 C ATOM 110 O LEU A 7 4.213 0.768 -5.509 1.00 0.00 O ATOM 111 CB LEU A 7 6.614 -0.706 -4.797 1.00 0.00 C ATOM 112 CG LEU A 7 7.574 0.314 -4.184 1.00 0.00 C ATOM 113 CD1 LEU A 7 7.000 1.722 -4.351 1.00 0.00 C ATOM 114 CD2 LEU A 7 7.754 0.011 -2.694 1.00 0.00 C ATOM 0 H LEU A 7 4.143 -1.995 -5.255 1.00 0.00 H new ATOM 0 HA LEU A 7 5.542 -0.713 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.070 -1.696 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.408 -0.449 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 7 8.538 0.254 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.685 2.448 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.870 1.938 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.035 1.784 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.438 0.737 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.789 0.072 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.163 -0.992 -2.574 1.00 0.00 H new ATOM 126 N ILE A 8 4.035 1.239 -3.371 1.00 0.00 N ATOM 127 CA ILE A 8 3.211 2.446 -3.658 1.00 0.00 C ATOM 128 C ILE A 8 4.125 3.660 -3.832 1.00 0.00 C ATOM 129 O ILE A 8 4.672 4.179 -2.879 1.00 0.00 O ATOM 130 CB ILE A 8 2.249 2.695 -2.494 1.00 0.00 C ATOM 131 CG1 ILE A 8 1.615 1.369 -2.066 1.00 0.00 C ATOM 132 CG2 ILE A 8 1.151 3.663 -2.937 1.00 0.00 C ATOM 133 CD1 ILE A 8 0.456 1.644 -1.106 1.00 0.00 C ATOM 0 H ILE A 8 4.216 1.061 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 8 2.641 2.287 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 8 2.797 3.126 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.256 0.826 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.360 0.737 -1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.466 3.840 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.601 4.607 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.603 3.232 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.004 0.700 -0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.829 2.169 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.292 2.259 -1.606 1.00 0.00 H new ATOM 145 N VAL A 9 4.297 4.117 -5.042 1.00 0.00 N ATOM 146 CA VAL A 9 5.176 5.297 -5.275 1.00 0.00 C ATOM 147 C VAL A 9 4.326 6.568 -5.309 1.00 0.00 C ATOM 148 O VAL A 9 3.524 6.767 -6.199 1.00 0.00 O ATOM 149 CB VAL A 9 5.904 5.135 -6.611 1.00 0.00 C ATOM 150 CG1 VAL A 9 7.109 6.077 -6.654 1.00 0.00 C ATOM 151 CG2 VAL A 9 6.384 3.689 -6.757 1.00 0.00 C ATOM 0 H VAL A 9 3.867 3.724 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 9 5.906 5.370 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 9 5.223 5.378 -7.427 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.627 5.961 -7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.769 7.107 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.790 5.834 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.903 3.572 -7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.064 3.447 -5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.527 3.016 -6.726 1.00 0.00 H new ATOM 161 N ASP A 10 4.495 7.432 -4.345 1.00 0.00 N ATOM 162 CA ASP A 10 3.696 8.690 -4.322 1.00 0.00 C ATOM 163 C ASP A 10 4.357 9.695 -3.377 1.00 0.00 C ATOM 164 O ASP A 10 5.002 9.327 -2.416 1.00 0.00 O ATOM 165 CB ASP A 10 2.279 8.386 -3.833 1.00 0.00 C ATOM 166 CG ASP A 10 1.265 8.899 -4.856 1.00 0.00 C ATOM 167 OD1 ASP A 10 1.207 10.103 -5.051 1.00 0.00 O ATOM 168 OD2 ASP A 10 0.562 8.082 -5.428 1.00 0.00 O ATOM 0 H ASP A 10 5.152 7.321 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 10 3.651 9.110 -5.327 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.155 7.313 -3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.107 8.859 -2.866 1.00 0.00 H new ATOM 173 N ASP A 11 4.201 10.963 -3.642 1.00 0.00 N ATOM 174 CA ASP A 11 4.820 11.991 -2.758 1.00 0.00 C ATOM 175 C ASP A 11 3.720 12.777 -2.043 1.00 0.00 C ATOM 176 O ASP A 11 3.854 13.143 -0.892 1.00 0.00 O ATOM 177 CB ASP A 11 5.665 12.948 -3.602 1.00 0.00 C ATOM 178 CG ASP A 11 4.746 13.845 -4.432 1.00 0.00 C ATOM 179 OD1 ASP A 11 3.994 13.312 -5.231 1.00 0.00 O ATOM 180 OD2 ASP A 11 4.810 15.051 -4.255 1.00 0.00 O ATOM 0 H ASP A 11 3.672 11.332 -4.432 1.00 0.00 H new ATOM 0 HA ASP A 11 5.455 11.501 -2.020 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.298 13.557 -2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.328 12.383 -4.257 1.00 0.00 H new ATOM 185 N GLN A 12 2.634 13.042 -2.715 1.00 0.00 N ATOM 186 CA GLN A 12 1.527 13.804 -2.072 1.00 0.00 C ATOM 187 C GLN A 12 0.860 12.933 -1.006 1.00 0.00 C ATOM 188 O GLN A 12 0.107 12.030 -1.311 1.00 0.00 O ATOM 189 CB GLN A 12 0.494 14.195 -3.132 1.00 0.00 C ATOM 190 CG GLN A 12 -0.384 15.329 -2.597 1.00 0.00 C ATOM 191 CD GLN A 12 -1.707 15.357 -3.364 1.00 0.00 C ATOM 192 OE1 GLN A 12 -2.083 14.383 -3.985 1.00 0.00 O ATOM 193 NE2 GLN A 12 -2.432 16.441 -3.348 1.00 0.00 N ATOM 0 H GLN A 12 2.465 12.764 -3.682 1.00 0.00 H new ATOM 0 HA GLN A 12 1.928 14.704 -1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.997 14.511 -4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.123 13.334 -3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.572 15.186 -1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.131 16.284 -2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.116 17.258 -2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.315 16.471 -3.857 1.00 0.00 H new ATOM 202 N TYR A 13 1.129 13.199 0.244 1.00 0.00 N ATOM 203 CA TYR A 13 0.510 12.386 1.327 1.00 0.00 C ATOM 204 C TYR A 13 -0.974 12.173 1.021 1.00 0.00 C ATOM 205 O TYR A 13 -1.614 12.998 0.399 1.00 0.00 O ATOM 206 CB TYR A 13 0.656 13.119 2.662 1.00 0.00 C ATOM 207 CG TYR A 13 -0.189 12.435 3.709 1.00 0.00 C ATOM 208 CD1 TYR A 13 -1.543 12.764 3.841 1.00 0.00 C ATOM 209 CD2 TYR A 13 0.382 11.471 4.548 1.00 0.00 C ATOM 210 CE1 TYR A 13 -2.327 12.129 4.812 1.00 0.00 C ATOM 211 CE2 TYR A 13 -0.402 10.836 5.519 1.00 0.00 C ATOM 212 CZ TYR A 13 -1.756 11.164 5.651 1.00 0.00 C ATOM 213 OH TYR A 13 -2.528 10.539 6.608 1.00 0.00 O ATOM 0 H TYR A 13 1.750 13.944 0.560 1.00 0.00 H new ATOM 0 HA TYR A 13 1.010 11.420 1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.701 13.127 2.972 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.348 14.159 2.553 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.983 13.508 3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.427 11.217 4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.372 12.383 4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.039 10.092 6.167 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.978 9.897 7.103 1.00 0.00 H new ATOM 223 N GLY A 14 -1.527 11.073 1.454 1.00 0.00 N ATOM 224 CA GLY A 14 -2.969 10.808 1.188 1.00 0.00 C ATOM 225 C GLY A 14 -3.120 9.449 0.503 1.00 0.00 C ATOM 226 O GLY A 14 -3.554 8.486 1.104 1.00 0.00 O ATOM 0 H GLY A 14 -1.042 10.346 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.530 10.821 2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.384 11.594 0.556 1.00 0.00 H new ATOM 230 N ILE A 15 -2.766 9.362 -0.750 1.00 0.00 N ATOM 231 CA ILE A 15 -2.890 8.063 -1.468 1.00 0.00 C ATOM 232 C ILE A 15 -2.008 7.018 -0.782 1.00 0.00 C ATOM 233 O ILE A 15 -2.241 5.830 -0.888 1.00 0.00 O ATOM 234 CB ILE A 15 -2.441 8.239 -2.921 1.00 0.00 C ATOM 235 CG1 ILE A 15 -3.497 9.036 -3.688 1.00 0.00 C ATOM 236 CG2 ILE A 15 -2.267 6.866 -3.573 1.00 0.00 C ATOM 237 CD1 ILE A 15 -2.851 9.709 -4.899 1.00 0.00 C ATOM 0 H ILE A 15 -2.397 10.133 -1.306 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.928 7.732 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.492 8.775 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.301 8.376 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.944 9.787 -3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.947 6.992 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.514 6.297 -3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.215 6.329 -3.549 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.605 10.277 -5.445 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.062 10.382 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.425 8.949 -5.554 1.00 0.00 H new ATOM 249 N ARG A 16 -0.999 7.451 -0.079 1.00 0.00 N ATOM 250 CA ARG A 16 -0.106 6.482 0.616 1.00 0.00 C ATOM 251 C ARG A 16 -0.865 5.832 1.774 1.00 0.00 C ATOM 252 O ARG A 16 -0.612 4.701 2.138 1.00 0.00 O ATOM 253 CB ARG A 16 1.121 7.219 1.159 1.00 0.00 C ATOM 254 CG ARG A 16 1.697 8.125 0.070 1.00 0.00 C ATOM 255 CD ARG A 16 2.859 7.415 -0.626 1.00 0.00 C ATOM 256 NE ARG A 16 4.096 7.572 0.191 1.00 0.00 N ATOM 257 CZ ARG A 16 4.633 8.754 0.348 1.00 0.00 C ATOM 258 NH1 ARG A 16 4.088 9.802 -0.208 1.00 0.00 N ATOM 259 NH2 ARG A 16 5.716 8.885 1.064 1.00 0.00 N ATOM 0 H ARG A 16 -0.754 8.433 0.044 1.00 0.00 H new ATOM 0 HA ARG A 16 0.214 5.712 -0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.846 7.812 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.874 6.502 1.486 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.923 8.375 -0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.040 9.063 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.628 6.358 -0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.012 7.833 -1.621 1.00 0.00 H new ATOM 0 HE ARG A 16 4.524 6.756 0.628 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.241 9.700 -0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.509 10.723 -0.084 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.142 8.067 1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.137 9.806 1.188 1.00 0.00 H new ATOM 273 N ILE A 17 -1.794 6.541 2.355 1.00 0.00 N ATOM 274 CA ILE A 17 -2.571 5.965 3.490 1.00 0.00 C ATOM 275 C ILE A 17 -3.814 5.256 2.951 1.00 0.00 C ATOM 276 O ILE A 17 -4.347 4.358 3.573 1.00 0.00 O ATOM 277 CB ILE A 17 -2.995 7.088 4.437 1.00 0.00 C ATOM 278 CG1 ILE A 17 -1.848 8.092 4.583 1.00 0.00 C ATOM 279 CG2 ILE A 17 -3.333 6.502 5.808 1.00 0.00 C ATOM 280 CD1 ILE A 17 -0.623 7.386 5.169 1.00 0.00 C ATOM 0 H ILE A 17 -2.049 7.493 2.093 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.951 5.249 4.029 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.872 7.592 4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.603 8.524 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.151 8.915 5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.635 7.304 6.482 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.149 5.786 5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.456 5.998 6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.194 8.100 5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.873 6.976 6.147 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.316 6.578 4.504 1.00 0.00 H new ATOM 292 N LEU A 18 -4.283 5.652 1.800 1.00 0.00 N ATOM 293 CA LEU A 18 -5.494 5.001 1.224 1.00 0.00 C ATOM 294 C LEU A 18 -5.127 3.613 0.695 1.00 0.00 C ATOM 295 O LEU A 18 -5.742 2.625 1.040 1.00 0.00 O ATOM 296 CB LEU A 18 -6.034 5.857 0.075 1.00 0.00 C ATOM 297 CG LEU A 18 -7.422 6.386 0.442 1.00 0.00 C ATOM 298 CD1 LEU A 18 -7.320 7.262 1.693 1.00 0.00 C ATOM 299 CD2 LEU A 18 -7.972 7.219 -0.717 1.00 0.00 C ATOM 0 H LEU A 18 -3.880 6.398 1.233 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.256 4.904 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.357 6.688 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.088 5.266 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.090 5.547 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.309 7.639 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.926 6.671 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.652 8.101 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.961 7.596 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.303 8.057 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.044 6.598 -1.610 1.00 0.00 H new ATOM 311 N LEU A 19 -4.130 3.531 -0.142 1.00 0.00 N ATOM 312 CA LEU A 19 -3.726 2.206 -0.693 1.00 0.00 C ATOM 313 C LEU A 19 -3.058 1.377 0.406 1.00 0.00 C ATOM 314 O LEU A 19 -2.924 0.175 0.294 1.00 0.00 O ATOM 315 CB LEU A 19 -2.741 2.411 -1.846 1.00 0.00 C ATOM 316 CG LEU A 19 -3.236 3.545 -2.746 1.00 0.00 C ATOM 317 CD1 LEU A 19 -2.375 3.608 -4.009 1.00 0.00 C ATOM 318 CD2 LEU A 19 -4.693 3.287 -3.136 1.00 0.00 C ATOM 0 H LEU A 19 -3.577 4.324 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.609 1.681 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.752 2.649 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.643 1.491 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.164 4.491 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.728 4.416 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.337 3.791 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.446 2.662 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.046 4.094 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.764 2.340 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.308 3.242 -2.237 1.00 0.00 H new ATOM 330 N ASN A 20 -2.638 2.008 1.468 1.00 0.00 N ATOM 331 CA ASN A 20 -1.979 1.255 2.571 1.00 0.00 C ATOM 332 C ASN A 20 -3.045 0.579 3.436 1.00 0.00 C ATOM 333 O ASN A 20 -2.981 -0.603 3.707 1.00 0.00 O ATOM 334 CB ASN A 20 -1.162 2.220 3.432 1.00 0.00 C ATOM 335 CG ASN A 20 -0.455 1.441 4.544 1.00 0.00 C ATOM 336 OD1 ASN A 20 0.214 0.461 4.284 1.00 0.00 O ATOM 337 ND2 ASN A 20 -0.577 1.838 5.780 1.00 0.00 N ATOM 0 H ASN A 20 -2.723 3.013 1.619 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.319 0.497 2.148 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.429 2.741 2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.814 2.980 3.864 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.111 1.326 6.529 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.139 2.661 5.998 1.00 0.00 H new ATOM 344 N GLU A 21 -4.026 1.321 3.873 1.00 0.00 N ATOM 345 CA GLU A 21 -5.094 0.720 4.722 1.00 0.00 C ATOM 346 C GLU A 21 -5.923 -0.255 3.884 1.00 0.00 C ATOM 347 O GLU A 21 -6.301 -1.315 4.342 1.00 0.00 O ATOM 348 CB GLU A 21 -6.001 1.829 5.260 1.00 0.00 C ATOM 349 CG GLU A 21 -7.162 1.207 6.039 1.00 0.00 C ATOM 350 CD GLU A 21 -8.155 2.300 6.436 1.00 0.00 C ATOM 351 OE1 GLU A 21 -8.719 2.912 5.544 1.00 0.00 O ATOM 352 OE2 GLU A 21 -8.334 2.506 7.625 1.00 0.00 O ATOM 0 H GLU A 21 -4.134 2.317 3.679 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.639 0.186 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.432 2.497 5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.384 2.432 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.660 0.453 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.787 0.701 6.929 1.00 0.00 H new ATOM 359 N VAL A 22 -6.208 0.093 2.659 1.00 0.00 N ATOM 360 CA VAL A 22 -7.014 -0.816 1.795 1.00 0.00 C ATOM 361 C VAL A 22 -6.206 -2.080 1.494 1.00 0.00 C ATOM 362 O VAL A 22 -6.631 -3.182 1.780 1.00 0.00 O ATOM 363 CB VAL A 22 -7.354 -0.105 0.485 1.00 0.00 C ATOM 364 CG1 VAL A 22 -8.390 -0.924 -0.287 1.00 0.00 C ATOM 365 CG2 VAL A 22 -7.927 1.280 0.792 1.00 0.00 C ATOM 0 H VAL A 22 -5.918 0.966 2.219 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.935 -1.087 2.311 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.451 -0.001 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.632 -0.417 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.984 -1.912 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.293 -1.028 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.170 1.788 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.830 1.175 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.190 1.865 1.342 1.00 0.00 H new ATOM 375 N PHE A 23 -5.044 -1.931 0.919 1.00 0.00 N ATOM 376 CA PHE A 23 -4.213 -3.126 0.603 1.00 0.00 C ATOM 377 C PHE A 23 -3.780 -3.804 1.904 1.00 0.00 C ATOM 378 O PHE A 23 -3.375 -4.949 1.915 1.00 0.00 O ATOM 379 CB PHE A 23 -2.974 -2.692 -0.184 1.00 0.00 C ATOM 380 CG PHE A 23 -3.387 -2.228 -1.560 1.00 0.00 C ATOM 381 CD1 PHE A 23 -4.341 -2.951 -2.286 1.00 0.00 C ATOM 382 CD2 PHE A 23 -2.816 -1.074 -2.111 1.00 0.00 C ATOM 383 CE1 PHE A 23 -4.723 -2.520 -3.562 1.00 0.00 C ATOM 384 CE2 PHE A 23 -3.198 -0.644 -3.386 1.00 0.00 C ATOM 385 CZ PHE A 23 -4.152 -1.367 -4.112 1.00 0.00 C ATOM 0 H PHE A 23 -4.635 -1.035 0.655 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.796 -3.827 0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.459 -1.889 0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.272 -3.522 -0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.782 -3.841 -1.862 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.080 -0.516 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.459 -3.078 -4.122 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.757 0.246 -3.810 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.447 -1.035 -5.096 1.00 0.00 H new ATOM 395 N ASN A 24 -3.863 -3.105 3.003 1.00 0.00 N ATOM 396 CA ASN A 24 -3.458 -3.708 4.304 1.00 0.00 C ATOM 397 C ASN A 24 -4.455 -4.802 4.690 1.00 0.00 C ATOM 398 O ASN A 24 -4.111 -5.963 4.789 1.00 0.00 O ATOM 399 CB ASN A 24 -3.442 -2.627 5.386 1.00 0.00 C ATOM 400 CG ASN A 24 -2.006 -2.146 5.606 1.00 0.00 C ATOM 401 OD1 ASN A 24 -1.190 -2.082 4.590 1.00 0.00 O flip ATOM 402 ND2 ASN A 24 -1.623 -1.825 6.714 1.00 0.00 N flip ATOM 0 H ASN A 24 -4.194 -2.142 3.056 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.462 -4.140 4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.075 -1.791 5.089 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.851 -3.022 6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.261 -1.875 7.508 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.664 -1.506 6.849 1.00 0.00 H new ATOM 409 N LYS A 25 -5.691 -4.441 4.906 1.00 0.00 N ATOM 410 CA LYS A 25 -6.708 -5.462 5.283 1.00 0.00 C ATOM 411 C LYS A 25 -6.989 -6.367 4.082 1.00 0.00 C ATOM 412 O LYS A 25 -7.640 -7.387 4.198 1.00 0.00 O ATOM 413 CB LYS A 25 -8.001 -4.761 5.707 1.00 0.00 C ATOM 414 CG LYS A 25 -8.320 -5.114 7.162 1.00 0.00 C ATOM 415 CD LYS A 25 -9.450 -6.145 7.201 1.00 0.00 C ATOM 416 CE LYS A 25 -9.829 -6.431 8.656 1.00 0.00 C ATOM 417 NZ LYS A 25 -9.968 -7.902 8.852 1.00 0.00 N ATOM 0 H LYS A 25 -6.039 -3.485 4.838 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.332 -6.062 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.894 -3.682 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.822 -5.067 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.433 -5.513 7.654 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.612 -4.218 7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.316 -5.772 6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.135 -7.065 6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.067 -6.034 9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.764 -5.930 8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.226 -8.098 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.710 -8.268 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.065 -8.369 8.631 1.00 0.00 H new ATOM 431 N GLU A 26 -6.503 -6.002 2.927 1.00 0.00 N ATOM 432 CA GLU A 26 -6.740 -6.839 1.718 1.00 0.00 C ATOM 433 C GLU A 26 -5.826 -8.065 1.758 1.00 0.00 C ATOM 434 O GLU A 26 -6.170 -9.125 1.274 1.00 0.00 O ATOM 435 CB GLU A 26 -6.437 -6.017 0.464 1.00 0.00 C ATOM 436 CG GLU A 26 -7.655 -5.164 0.105 1.00 0.00 C ATOM 437 CD GLU A 26 -8.334 -5.739 -1.139 1.00 0.00 C ATOM 438 OE1 GLU A 26 -7.637 -6.323 -1.953 1.00 0.00 O ATOM 439 OE2 GLU A 26 -9.538 -5.587 -1.257 1.00 0.00 O ATOM 0 H GLU A 26 -5.951 -5.159 2.769 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.780 -7.164 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.571 -5.378 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.186 -6.678 -0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.357 -5.145 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.349 -4.134 -0.078 1.00 0.00 H new ATOM 446 N GLY A 27 -4.661 -7.928 2.332 1.00 0.00 N ATOM 447 CA GLY A 27 -3.725 -9.087 2.402 1.00 0.00 C ATOM 448 C GLY A 27 -2.570 -8.868 1.424 1.00 0.00 C ATOM 449 O GLY A 27 -2.044 -9.802 0.850 1.00 0.00 O ATOM 0 H GLY A 27 -4.317 -7.066 2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.341 -9.198 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.252 -10.009 2.158 1.00 0.00 H new ATOM 453 N TYR A 28 -2.169 -7.642 1.229 1.00 0.00 N ATOM 454 CA TYR A 28 -1.048 -7.365 0.287 1.00 0.00 C ATOM 455 C TYR A 28 0.059 -6.605 1.021 1.00 0.00 C ATOM 456 O TYR A 28 -0.201 -5.722 1.813 1.00 0.00 O ATOM 457 CB TYR A 28 -1.560 -6.517 -0.879 1.00 0.00 C ATOM 458 CG TYR A 28 -2.570 -7.309 -1.675 1.00 0.00 C ATOM 459 CD1 TYR A 28 -2.142 -8.342 -2.517 1.00 0.00 C ATOM 460 CD2 TYR A 28 -3.933 -7.010 -1.571 1.00 0.00 C ATOM 461 CE1 TYR A 28 -3.078 -9.075 -3.256 1.00 0.00 C ATOM 462 CE2 TYR A 28 -4.869 -7.743 -2.309 1.00 0.00 C ATOM 463 CZ TYR A 28 -4.442 -8.776 -3.151 1.00 0.00 C ATOM 464 OH TYR A 28 -5.365 -9.499 -3.880 1.00 0.00 O ATOM 0 H TYR A 28 -2.569 -6.820 1.681 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.652 -8.307 -0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.016 -5.601 -0.503 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.729 -6.221 -1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.090 -8.573 -2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.263 -6.213 -0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.748 -9.871 -3.907 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.921 -7.512 -2.229 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.897 -10.076 -4.519 1.00 0.00 H new ATOM 474 N GLN A 29 1.293 -6.942 0.763 1.00 0.00 N ATOM 475 CA GLN A 29 2.415 -6.238 1.444 1.00 0.00 C ATOM 476 C GLN A 29 2.866 -5.052 0.590 1.00 0.00 C ATOM 477 O GLN A 29 3.821 -5.139 -0.157 1.00 0.00 O ATOM 478 CB GLN A 29 3.586 -7.205 1.631 1.00 0.00 C ATOM 479 CG GLN A 29 3.074 -8.519 2.223 1.00 0.00 C ATOM 480 CD GLN A 29 2.966 -8.388 3.744 1.00 0.00 C ATOM 481 OE1 GLN A 29 3.228 -7.337 4.294 1.00 0.00 O ATOM 482 NE2 GLN A 29 2.588 -9.419 4.450 1.00 0.00 N ATOM 0 H GLN A 29 1.572 -7.674 0.110 1.00 0.00 H new ATOM 0 HA GLN A 29 2.081 -5.879 2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.074 -7.391 0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.334 -6.764 2.290 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.101 -8.766 1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.750 -9.334 1.965 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.368 -10.301 3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.512 -9.342 5.464 1.00 0.00 H new ATOM 491 N THR A 30 2.184 -3.943 0.689 1.00 0.00 N ATOM 492 CA THR A 30 2.572 -2.754 -0.120 1.00 0.00 C ATOM 493 C THR A 30 3.575 -1.907 0.665 1.00 0.00 C ATOM 494 O THR A 30 3.585 -1.905 1.880 1.00 0.00 O ATOM 495 CB THR A 30 1.328 -1.919 -0.426 1.00 0.00 C ATOM 496 OG1 THR A 30 1.005 -1.121 0.704 1.00 0.00 O ATOM 497 CG2 THR A 30 0.155 -2.845 -0.752 1.00 0.00 C ATOM 0 H THR A 30 1.375 -3.810 1.296 1.00 0.00 H new ATOM 0 HA THR A 30 3.028 -3.083 -1.054 1.00 0.00 H new ATOM 0 HB THR A 30 1.526 -1.274 -1.282 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.037 -0.970 0.732 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.730 -2.248 -0.970 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.404 -3.455 -1.620 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.045 -3.493 0.101 1.00 0.00 H new ATOM 505 N PHE A 31 4.420 -1.186 -0.019 1.00 0.00 N ATOM 506 CA PHE A 31 5.421 -0.338 0.687 1.00 0.00 C ATOM 507 C PHE A 31 5.206 1.128 0.307 1.00 0.00 C ATOM 508 O PHE A 31 4.214 1.483 -0.298 1.00 0.00 O ATOM 509 CB PHE A 31 6.832 -0.769 0.281 1.00 0.00 C ATOM 510 CG PHE A 31 7.226 -2.001 1.058 1.00 0.00 C ATOM 511 CD1 PHE A 31 6.551 -3.208 0.846 1.00 0.00 C ATOM 512 CD2 PHE A 31 8.269 -1.936 1.991 1.00 0.00 C ATOM 513 CE1 PHE A 31 6.917 -4.352 1.568 1.00 0.00 C ATOM 514 CE2 PHE A 31 8.634 -3.079 2.713 1.00 0.00 C ATOM 515 CZ PHE A 31 7.959 -4.286 2.501 1.00 0.00 C ATOM 0 H PHE A 31 4.460 -1.148 -1.037 1.00 0.00 H new ATOM 0 HA PHE A 31 5.301 -0.455 1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.867 -0.974 -0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.540 0.037 0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.748 -3.258 0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.791 -1.005 2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.396 -5.284 1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.437 -3.029 3.434 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.242 -5.167 3.057 1.00 0.00 H new ATOM 525 N GLN A 32 6.127 1.984 0.658 1.00 0.00 N ATOM 526 CA GLN A 32 5.971 3.426 0.316 1.00 0.00 C ATOM 527 C GLN A 32 7.244 3.927 -0.372 1.00 0.00 C ATOM 528 O GLN A 32 8.342 3.547 -0.019 1.00 0.00 O ATOM 529 CB GLN A 32 5.731 4.230 1.595 1.00 0.00 C ATOM 530 CG GLN A 32 4.247 4.177 1.960 1.00 0.00 C ATOM 531 CD GLN A 32 4.074 4.509 3.443 1.00 0.00 C ATOM 532 OE1 GLN A 32 4.992 4.982 4.083 1.00 0.00 O ATOM 533 NE2 GLN A 32 2.927 4.278 4.021 1.00 0.00 N ATOM 0 H GLN A 32 6.979 1.747 1.166 1.00 0.00 H new ATOM 0 HA GLN A 32 5.122 3.551 -0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.331 3.825 2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.044 5.264 1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.686 4.885 1.350 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.845 3.186 1.749 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.156 3.881 3.484 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.801 4.495 5.010 1.00 0.00 H new ATOM 542 N ALA A 33 7.103 4.779 -1.350 1.00 0.00 N ATOM 543 CA ALA A 33 8.304 5.305 -2.059 1.00 0.00 C ATOM 544 C ALA A 33 7.977 6.666 -2.676 1.00 0.00 C ATOM 545 O ALA A 33 7.226 6.764 -3.624 1.00 0.00 O ATOM 546 CB ALA A 33 8.712 4.329 -3.164 1.00 0.00 C ATOM 0 H ALA A 33 6.209 5.134 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 33 9.125 5.415 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.590 4.713 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.945 3.359 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.891 4.218 -3.873 1.00 0.00 H new ATOM 552 N ALA A 34 8.535 7.720 -2.143 1.00 0.00 N ATOM 553 CA ALA A 34 8.254 9.073 -2.699 1.00 0.00 C ATOM 554 C ALA A 34 8.901 9.201 -4.080 1.00 0.00 C ATOM 555 O ALA A 34 8.227 9.240 -5.090 1.00 0.00 O ATOM 556 CB ALA A 34 8.832 10.138 -1.765 1.00 0.00 C ATOM 0 H ALA A 34 9.173 7.701 -1.347 1.00 0.00 H new ATOM 0 HA ALA A 34 7.177 9.213 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.627 11.128 -2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.372 10.047 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.909 9.998 -1.676 1.00 0.00 H new ATOM 562 N ASN A 35 10.203 9.266 -4.132 1.00 0.00 N ATOM 563 CA ASN A 35 10.891 9.392 -5.447 1.00 0.00 C ATOM 564 C ASN A 35 10.918 8.030 -6.142 1.00 0.00 C ATOM 565 O ASN A 35 10.456 7.040 -5.607 1.00 0.00 O ATOM 566 CB ASN A 35 12.325 9.880 -5.228 1.00 0.00 C ATOM 567 CG ASN A 35 13.000 9.019 -4.160 1.00 0.00 C ATOM 568 OD1 ASN A 35 12.453 8.022 -3.731 1.00 0.00 O ATOM 569 ND2 ASN A 35 14.175 9.364 -3.708 1.00 0.00 N ATOM 0 H ASN A 35 10.820 9.237 -3.320 1.00 0.00 H new ATOM 0 HA ASN A 35 10.354 10.107 -6.070 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.885 9.826 -6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.321 10.925 -4.919 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.634 8.797 -2.995 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.634 10.201 -4.068 1.00 0.00 H new ATOM 576 N GLY A 36 11.453 7.969 -7.330 1.00 0.00 N ATOM 577 CA GLY A 36 11.508 6.669 -8.058 1.00 0.00 C ATOM 578 C GLY A 36 12.728 5.874 -7.592 1.00 0.00 C ATOM 579 O GLY A 36 12.661 4.679 -7.387 1.00 0.00 O ATOM 0 H GLY A 36 11.855 8.763 -7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.597 6.099 -7.875 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.564 6.844 -9.132 1.00 0.00 H new ATOM 583 N LEU A 37 13.846 6.527 -7.425 1.00 0.00 N ATOM 584 CA LEU A 37 15.070 5.807 -6.973 1.00 0.00 C ATOM 585 C LEU A 37 14.708 4.852 -5.835 1.00 0.00 C ATOM 586 O LEU A 37 14.949 3.664 -5.908 1.00 0.00 O ATOM 587 CB LEU A 37 16.105 6.819 -6.480 1.00 0.00 C ATOM 588 CG LEU A 37 17.385 6.685 -7.306 1.00 0.00 C ATOM 589 CD1 LEU A 37 17.911 5.252 -7.205 1.00 0.00 C ATOM 590 CD2 LEU A 37 17.082 7.013 -8.771 1.00 0.00 C ATOM 0 H LEU A 37 13.964 7.528 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 37 15.486 5.239 -7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.709 7.831 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.321 6.649 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 37 18.137 7.376 -6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.823 5.157 -7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 37 18.126 5.016 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.159 4.561 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.993 6.918 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.330 6.321 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.707 8.034 -8.845 1.00 0.00 H new ATOM 602 N GLN A 38 14.130 5.361 -4.781 1.00 0.00 N ATOM 603 CA GLN A 38 13.754 4.481 -3.638 1.00 0.00 C ATOM 604 C GLN A 38 12.825 3.371 -4.136 1.00 0.00 C ATOM 605 O GLN A 38 13.022 2.208 -3.846 1.00 0.00 O ATOM 606 CB GLN A 38 13.034 5.309 -2.573 1.00 0.00 C ATOM 607 CG GLN A 38 12.868 4.473 -1.303 1.00 0.00 C ATOM 608 CD GLN A 38 14.229 3.929 -0.866 1.00 0.00 C ATOM 609 OE1 GLN A 38 15.310 4.601 -1.157 1.00 0.00 O flip ATOM 610 NE2 GLN A 38 14.311 2.883 -0.255 1.00 0.00 N flip ATOM 0 H GLN A 38 13.902 6.348 -4.662 1.00 0.00 H new ATOM 0 HA GLN A 38 14.652 4.038 -3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.602 6.213 -2.354 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.059 5.627 -2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.436 5.082 -0.509 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.177 3.650 -1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.467 2.358 -0.027 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.224 2.530 0.031 1.00 0.00 H new ATOM 619 N ALA A 39 11.814 3.721 -4.882 1.00 0.00 N ATOM 620 CA ALA A 39 10.874 2.686 -5.397 1.00 0.00 C ATOM 621 C ALA A 39 11.672 1.507 -5.960 1.00 0.00 C ATOM 622 O ALA A 39 11.662 0.421 -5.414 1.00 0.00 O ATOM 623 CB ALA A 39 10.007 3.289 -6.503 1.00 0.00 C ATOM 0 H ALA A 39 11.598 4.679 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 39 10.236 2.338 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.319 2.532 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.439 4.129 -6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.644 3.637 -7.316 1.00 0.00 H new ATOM 629 N LEU A 40 12.365 1.713 -7.047 1.00 0.00 N ATOM 630 CA LEU A 40 13.162 0.605 -7.642 1.00 0.00 C ATOM 631 C LEU A 40 13.915 -0.135 -6.535 1.00 0.00 C ATOM 632 O LEU A 40 14.004 -1.346 -6.533 1.00 0.00 O ATOM 633 CB LEU A 40 14.165 1.180 -8.645 1.00 0.00 C ATOM 634 CG LEU A 40 13.413 1.913 -9.756 1.00 0.00 C ATOM 635 CD1 LEU A 40 14.120 3.234 -10.065 1.00 0.00 C ATOM 636 CD2 LEU A 40 13.389 1.042 -11.014 1.00 0.00 C ATOM 0 H LEU A 40 12.413 2.600 -7.548 1.00 0.00 H new ATOM 0 HA LEU A 40 12.494 -0.089 -8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.848 1.864 -8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.771 0.379 -9.069 1.00 0.00 H new ATOM 0 HG LEU A 40 12.392 2.114 -9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.584 3.757 -10.857 1.00 0.00 H new ATOM 0 HD12 LEU A 40 14.139 3.855 -9.169 1.00 0.00 H new ATOM 0 HD13 LEU A 40 15.141 3.033 -10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.853 1.563 -11.807 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.410 0.841 -11.337 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.886 0.100 -10.795 1.00 0.00 H new ATOM 648 N ASP A 41 14.459 0.585 -5.591 1.00 0.00 N ATOM 649 CA ASP A 41 15.204 -0.079 -4.485 1.00 0.00 C ATOM 650 C ASP A 41 14.324 -1.157 -3.851 1.00 0.00 C ATOM 651 O ASP A 41 14.706 -2.306 -3.756 1.00 0.00 O ATOM 652 CB ASP A 41 15.580 0.962 -3.427 1.00 0.00 C ATOM 653 CG ASP A 41 17.101 1.020 -3.284 1.00 0.00 C ATOM 654 OD1 ASP A 41 17.761 1.258 -4.283 1.00 0.00 O ATOM 655 OD2 ASP A 41 17.581 0.828 -2.179 1.00 0.00 O ATOM 0 H ASP A 41 14.419 1.603 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 41 16.110 -0.538 -4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.194 1.941 -3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.124 0.705 -2.471 1.00 0.00 H new ATOM 660 N ILE A 42 13.148 -0.796 -3.416 1.00 0.00 N ATOM 661 CA ILE A 42 12.246 -1.801 -2.789 1.00 0.00 C ATOM 662 C ILE A 42 11.865 -2.862 -3.825 1.00 0.00 C ATOM 663 O ILE A 42 11.473 -3.961 -3.487 1.00 0.00 O ATOM 664 CB ILE A 42 10.980 -1.106 -2.284 1.00 0.00 C ATOM 665 CG1 ILE A 42 11.321 -0.261 -1.054 1.00 0.00 C ATOM 666 CG2 ILE A 42 9.935 -2.157 -1.906 1.00 0.00 C ATOM 667 CD1 ILE A 42 11.200 1.223 -1.405 1.00 0.00 C ATOM 0 H ILE A 42 12.773 0.151 -3.468 1.00 0.00 H new ATOM 0 HA ILE A 42 12.759 -2.276 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 42 10.580 -0.464 -3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.648 -0.507 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 42 12.333 -0.484 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.034 -1.661 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.693 -2.760 -2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.333 -2.800 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.443 1.825 -0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.891 1.463 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.180 1.440 -1.723 1.00 0.00 H new ATOM 679 N VAL A 43 11.979 -2.542 -5.084 1.00 0.00 N ATOM 680 CA VAL A 43 11.625 -3.532 -6.140 1.00 0.00 C ATOM 681 C VAL A 43 12.782 -4.515 -6.326 1.00 0.00 C ATOM 682 O VAL A 43 12.604 -5.614 -6.813 1.00 0.00 O ATOM 683 CB VAL A 43 11.359 -2.801 -7.456 1.00 0.00 C ATOM 684 CG1 VAL A 43 10.761 -3.778 -8.472 1.00 0.00 C ATOM 685 CG2 VAL A 43 10.375 -1.655 -7.212 1.00 0.00 C ATOM 0 H VAL A 43 12.302 -1.638 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 43 10.730 -4.078 -5.841 1.00 0.00 H new ATOM 0 HB VAL A 43 12.295 -2.401 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.571 -3.257 -9.410 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.461 -4.595 -8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.824 -4.179 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.185 -1.133 -8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.439 -2.056 -6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.800 -0.959 -6.489 1.00 0.00 H new ATOM 695 N THR A 44 13.968 -4.129 -5.942 1.00 0.00 N ATOM 696 CA THR A 44 15.136 -5.042 -6.099 1.00 0.00 C ATOM 697 C THR A 44 15.287 -5.895 -4.838 1.00 0.00 C ATOM 698 O THR A 44 15.780 -7.006 -4.884 1.00 0.00 O ATOM 699 CB THR A 44 16.406 -4.213 -6.310 1.00 0.00 C ATOM 700 OG1 THR A 44 16.116 -3.115 -7.163 1.00 0.00 O ATOM 701 CG2 THR A 44 17.487 -5.087 -6.948 1.00 0.00 C ATOM 0 H THR A 44 14.179 -3.222 -5.527 1.00 0.00 H new ATOM 0 HA THR A 44 14.979 -5.691 -6.961 1.00 0.00 H new ATOM 0 HB THR A 44 16.763 -3.842 -5.349 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.471 -2.521 -6.724 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.391 -4.496 -7.098 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.708 -5.929 -6.292 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.133 -5.459 -7.909 1.00 0.00 H new ATOM 709 N LYS A 45 14.868 -5.387 -3.712 1.00 0.00 N ATOM 710 CA LYS A 45 14.989 -6.171 -2.450 1.00 0.00 C ATOM 711 C LYS A 45 13.726 -7.011 -2.249 1.00 0.00 C ATOM 712 O LYS A 45 13.757 -8.056 -1.629 1.00 0.00 O ATOM 713 CB LYS A 45 15.157 -5.213 -1.269 1.00 0.00 C ATOM 714 CG LYS A 45 16.646 -5.043 -0.958 1.00 0.00 C ATOM 715 CD LYS A 45 17.243 -6.393 -0.560 1.00 0.00 C ATOM 716 CE LYS A 45 18.438 -6.171 0.369 1.00 0.00 C ATOM 717 NZ LYS A 45 17.967 -6.118 1.781 1.00 0.00 N ATOM 0 H LYS A 45 14.447 -4.463 -3.611 1.00 0.00 H new ATOM 0 HA LYS A 45 15.857 -6.828 -2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.711 -4.247 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.634 -5.601 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.167 -4.646 -1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.780 -4.323 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.490 -7.002 -0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.557 -6.940 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 45 19.162 -6.976 0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.947 -5.243 0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.779 -5.967 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.292 -5.335 1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.501 -7.015 2.025 1.00 0.00 H new ATOM 731 N GLU A 46 12.615 -6.564 -2.768 1.00 0.00 N ATOM 732 CA GLU A 46 11.352 -7.337 -2.604 1.00 0.00 C ATOM 733 C GLU A 46 10.891 -7.852 -3.969 1.00 0.00 C ATOM 734 O GLU A 46 10.372 -8.946 -4.087 1.00 0.00 O ATOM 735 CB GLU A 46 10.272 -6.432 -2.009 1.00 0.00 C ATOM 736 CG GLU A 46 10.794 -5.795 -0.719 1.00 0.00 C ATOM 737 CD GLU A 46 10.106 -6.442 0.484 1.00 0.00 C ATOM 738 OE1 GLU A 46 8.958 -6.834 0.346 1.00 0.00 O ATOM 739 OE2 GLU A 46 10.737 -6.533 1.525 1.00 0.00 O ATOM 0 H GLU A 46 12.528 -5.697 -3.298 1.00 0.00 H new ATOM 0 HA GLU A 46 11.526 -8.180 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.997 -5.657 -2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.371 -7.010 -1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.874 -5.926 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.602 -4.722 -0.727 1.00 0.00 H new ATOM 746 N ARG A 47 11.074 -7.075 -5.000 1.00 0.00 N ATOM 747 CA ARG A 47 10.644 -7.521 -6.355 1.00 0.00 C ATOM 748 C ARG A 47 9.147 -7.841 -6.338 1.00 0.00 C ATOM 749 O ARG A 47 8.758 -8.987 -6.450 1.00 0.00 O ATOM 750 CB ARG A 47 11.430 -8.773 -6.753 1.00 0.00 C ATOM 751 CG ARG A 47 12.836 -8.373 -7.201 1.00 0.00 C ATOM 752 CD ARG A 47 13.498 -9.551 -7.920 1.00 0.00 C ATOM 753 NE ARG A 47 13.965 -10.547 -6.913 1.00 0.00 N ATOM 754 CZ ARG A 47 14.446 -11.697 -7.304 1.00 0.00 C ATOM 755 NH1 ARG A 47 14.522 -11.981 -8.576 1.00 0.00 N ATOM 756 NH2 ARG A 47 14.855 -12.565 -6.419 1.00 0.00 N ATOM 0 H ARG A 47 11.503 -6.150 -4.963 1.00 0.00 H new ATOM 0 HA ARG A 47 10.836 -6.727 -7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.488 -9.462 -5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.916 -9.297 -7.559 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.786 -7.510 -7.865 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.434 -8.077 -6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.791 -10.016 -8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.339 -9.200 -8.518 1.00 0.00 H new ATOM 0 HE ARG A 47 13.909 -10.330 -5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.205 -11.304 -9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.898 -12.880 -8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.799 -12.345 -5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.231 -13.464 -6.722 1.00 0.00 H new ATOM 770 N PRO A 48 8.350 -6.813 -6.197 1.00 0.00 N ATOM 771 CA PRO A 48 6.883 -6.943 -6.159 1.00 0.00 C ATOM 772 C PRO A 48 6.327 -7.135 -7.573 1.00 0.00 C ATOM 773 O PRO A 48 7.052 -7.092 -8.547 1.00 0.00 O ATOM 774 CB PRO A 48 6.420 -5.610 -5.566 1.00 0.00 C ATOM 775 CG PRO A 48 7.561 -4.597 -5.824 1.00 0.00 C ATOM 776 CD PRO A 48 8.838 -5.425 -6.062 1.00 0.00 C ATOM 0 HA PRO A 48 6.543 -7.802 -5.580 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.493 -5.278 -6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.222 -5.708 -4.499 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.337 -3.973 -6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.686 -3.928 -4.972 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.363 -5.098 -6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.537 -5.327 -5.231 1.00 0.00 H new ATOM 784 N ASP A 49 5.044 -7.345 -7.693 1.00 0.00 N ATOM 785 CA ASP A 49 4.443 -7.540 -9.042 1.00 0.00 C ATOM 786 C ASP A 49 3.491 -6.382 -9.349 1.00 0.00 C ATOM 787 O ASP A 49 3.020 -6.231 -10.458 1.00 0.00 O ATOM 788 CB ASP A 49 3.669 -8.859 -9.070 1.00 0.00 C ATOM 789 CG ASP A 49 4.634 -10.011 -9.359 1.00 0.00 C ATOM 790 OD1 ASP A 49 5.743 -9.736 -9.786 1.00 0.00 O ATOM 791 OD2 ASP A 49 4.247 -11.149 -9.148 1.00 0.00 O ATOM 0 H ASP A 49 4.387 -7.390 -6.914 1.00 0.00 H new ATOM 0 HA ASP A 49 5.234 -7.568 -9.791 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.169 -9.020 -8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.892 -8.821 -9.834 1.00 0.00 H new ATOM 796 N LEU A 50 3.202 -5.564 -8.374 1.00 0.00 N ATOM 797 CA LEU A 50 2.280 -4.418 -8.610 1.00 0.00 C ATOM 798 C LEU A 50 2.971 -3.115 -8.207 1.00 0.00 C ATOM 799 O LEU A 50 3.245 -2.879 -7.047 1.00 0.00 O ATOM 800 CB LEU A 50 1.012 -4.602 -7.775 1.00 0.00 C ATOM 801 CG LEU A 50 -0.058 -5.302 -8.616 1.00 0.00 C ATOM 802 CD1 LEU A 50 -0.311 -4.498 -9.892 1.00 0.00 C ATOM 803 CD2 LEU A 50 0.425 -6.706 -8.987 1.00 0.00 C ATOM 0 H LEU A 50 3.565 -5.640 -7.424 1.00 0.00 H new ATOM 0 HA LEU A 50 2.016 -4.377 -9.667 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.233 -5.191 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.645 -3.634 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.982 -5.374 -8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.073 -4.996 -10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.653 -3.497 -9.629 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.613 -4.427 -10.466 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.336 -7.206 -9.586 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.349 -6.633 -9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.607 -7.280 -8.078 1.00 0.00 H new ATOM 815 N VAL A 51 3.257 -2.265 -9.155 1.00 0.00 N ATOM 816 CA VAL A 51 3.931 -0.978 -8.825 1.00 0.00 C ATOM 817 C VAL A 51 2.980 0.185 -9.120 1.00 0.00 C ATOM 818 O VAL A 51 2.559 0.385 -10.242 1.00 0.00 O ATOM 819 CB VAL A 51 5.195 -0.832 -9.673 1.00 0.00 C ATOM 820 CG1 VAL A 51 5.978 0.401 -9.216 1.00 0.00 C ATOM 821 CG2 VAL A 51 6.067 -2.078 -9.506 1.00 0.00 C ATOM 0 H VAL A 51 3.053 -2.407 -10.144 1.00 0.00 H new ATOM 0 HA VAL A 51 4.200 -0.968 -7.769 1.00 0.00 H new ATOM 0 HB VAL A 51 4.917 -0.719 -10.721 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.879 0.505 -9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.358 1.290 -9.333 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.256 0.288 -8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.968 -1.975 -10.110 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.344 -2.191 -8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.511 -2.957 -9.831 1.00 0.00 H new ATOM 831 N LEU A 52 2.642 0.954 -8.123 1.00 0.00 N ATOM 832 CA LEU A 52 1.720 2.103 -8.348 1.00 0.00 C ATOM 833 C LEU A 52 2.535 3.349 -8.700 1.00 0.00 C ATOM 834 O LEU A 52 3.094 4.000 -7.839 1.00 0.00 O ATOM 835 CB LEU A 52 0.911 2.366 -7.075 1.00 0.00 C ATOM 836 CG LEU A 52 0.114 1.113 -6.709 1.00 0.00 C ATOM 837 CD1 LEU A 52 0.354 0.766 -5.239 1.00 0.00 C ATOM 838 CD2 LEU A 52 -1.378 1.376 -6.932 1.00 0.00 C ATOM 0 H LEU A 52 2.964 0.837 -7.162 1.00 0.00 H new ATOM 0 HA LEU A 52 1.041 1.868 -9.168 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.578 2.637 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.236 3.208 -7.228 1.00 0.00 H new ATOM 0 HG LEU A 52 0.436 0.282 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.214 -0.127 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.416 0.580 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.032 1.597 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.948 0.484 -6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.699 2.207 -6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.551 1.624 -7.979 1.00 0.00 H new ATOM 850 N LEU A 53 2.608 3.686 -9.958 1.00 0.00 N ATOM 851 CA LEU A 53 3.388 4.889 -10.364 1.00 0.00 C ATOM 852 C LEU A 53 2.467 6.110 -10.391 1.00 0.00 C ATOM 853 O LEU A 53 1.411 6.091 -10.993 1.00 0.00 O ATOM 854 CB LEU A 53 3.982 4.665 -11.757 1.00 0.00 C ATOM 855 CG LEU A 53 5.507 4.742 -11.679 1.00 0.00 C ATOM 856 CD1 LEU A 53 6.023 3.685 -10.700 1.00 0.00 C ATOM 857 CD2 LEU A 53 6.101 4.484 -13.066 1.00 0.00 C ATOM 0 H LEU A 53 2.161 3.180 -10.723 1.00 0.00 H new ATOM 0 HA LEU A 53 4.193 5.059 -9.649 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.676 3.693 -12.143 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.604 5.416 -12.450 1.00 0.00 H new ATOM 0 HG LEU A 53 5.803 5.732 -11.333 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.110 3.740 -10.645 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.600 3.867 -9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.727 2.694 -11.045 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.188 4.539 -13.012 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.804 3.493 -13.410 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.734 5.236 -13.765 1.00 0.00 H new ATOM 869 N ASP A 54 2.859 7.174 -9.746 1.00 0.00 N ATOM 870 CA ASP A 54 2.007 8.396 -9.737 1.00 0.00 C ATOM 871 C ASP A 54 2.764 9.549 -10.400 1.00 0.00 C ATOM 872 O ASP A 54 3.651 10.138 -9.817 1.00 0.00 O ATOM 873 CB ASP A 54 1.669 8.772 -8.292 1.00 0.00 C ATOM 874 CG ASP A 54 0.663 9.925 -8.285 1.00 0.00 C ATOM 875 OD1 ASP A 54 0.169 10.258 -9.349 1.00 0.00 O ATOM 876 OD2 ASP A 54 0.405 10.453 -7.217 1.00 0.00 O ATOM 0 H ASP A 54 3.733 7.250 -9.225 1.00 0.00 H new ATOM 0 HA ASP A 54 1.086 8.201 -10.287 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.254 7.911 -7.769 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.575 9.063 -7.760 1.00 0.00 H new ATOM 881 N MET A 55 2.419 9.874 -11.616 1.00 0.00 N ATOM 882 CA MET A 55 3.120 10.988 -12.316 1.00 0.00 C ATOM 883 C MET A 55 2.969 12.276 -11.505 1.00 0.00 C ATOM 884 O MET A 55 3.679 13.239 -11.716 1.00 0.00 O ATOM 885 CB MET A 55 2.506 11.183 -13.704 1.00 0.00 C ATOM 886 CG MET A 55 2.624 9.884 -14.502 1.00 0.00 C ATOM 887 SD MET A 55 4.344 9.321 -14.487 1.00 0.00 S ATOM 888 CE MET A 55 4.258 8.286 -15.968 1.00 0.00 C ATOM 0 H MET A 55 1.683 9.417 -12.155 1.00 0.00 H new ATOM 0 HA MET A 55 4.178 10.746 -12.417 1.00 0.00 H new ATOM 0 HB2 MET A 55 1.459 11.472 -13.613 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.015 11.992 -14.228 1.00 0.00 H new ATOM 0 HG2 MET A 55 1.976 9.120 -14.072 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.291 10.043 -15.528 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.231 7.830 -16.150 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.513 7.504 -15.823 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.978 8.899 -16.825 1.00 0.00 H new ATOM 898 N LYS A 56 2.052 12.302 -10.577 1.00 0.00 N ATOM 899 CA LYS A 56 1.859 13.529 -9.754 1.00 0.00 C ATOM 900 C LYS A 56 3.183 13.908 -9.088 1.00 0.00 C ATOM 901 O LYS A 56 3.497 15.070 -8.927 1.00 0.00 O ATOM 902 CB LYS A 56 0.804 13.262 -8.678 1.00 0.00 C ATOM 903 CG LYS A 56 -0.592 13.371 -9.294 1.00 0.00 C ATOM 904 CD LYS A 56 -1.267 14.654 -8.805 1.00 0.00 C ATOM 905 CE LYS A 56 -0.407 15.861 -9.185 1.00 0.00 C ATOM 906 NZ LYS A 56 -0.863 16.403 -10.495 1.00 0.00 N ATOM 0 H LYS A 56 1.428 11.527 -10.353 1.00 0.00 H new ATOM 0 HA LYS A 56 1.526 14.347 -10.393 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.948 12.270 -8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.911 13.978 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.522 13.376 -10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.192 12.504 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.259 14.747 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.403 14.617 -7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.480 16.630 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.642 15.569 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.279 17.223 -10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.771 15.668 -11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.858 16.696 -10.422 1.00 0.00 H new ATOM 920 N ILE A 57 3.961 12.934 -8.699 1.00 0.00 N ATOM 921 CA ILE A 57 5.265 13.235 -8.043 1.00 0.00 C ATOM 922 C ILE A 57 5.966 14.374 -8.795 1.00 0.00 C ATOM 923 O ILE A 57 6.523 14.160 -9.853 1.00 0.00 O ATOM 924 CB ILE A 57 6.150 11.988 -8.078 1.00 0.00 C ATOM 925 CG1 ILE A 57 5.484 10.869 -7.273 1.00 0.00 C ATOM 926 CG2 ILE A 57 7.514 12.312 -7.467 1.00 0.00 C ATOM 927 CD1 ILE A 57 6.410 9.652 -7.226 1.00 0.00 C ATOM 0 H ILE A 57 3.749 11.942 -8.808 1.00 0.00 H new ATOM 0 HA ILE A 57 5.091 13.533 -7.009 1.00 0.00 H new ATOM 0 HB ILE A 57 6.283 11.665 -9.111 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.268 11.214 -6.262 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.532 10.597 -7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.144 11.423 -7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.989 13.110 -8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.383 12.635 -6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.935 8.856 -6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.604 9.303 -8.240 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.351 9.929 -6.751 1.00 0.00 H new ATOM 939 N PRO A 58 5.918 15.554 -8.225 1.00 0.00 N ATOM 940 CA PRO A 58 6.543 16.747 -8.824 1.00 0.00 C ATOM 941 C PRO A 58 8.056 16.730 -8.593 1.00 0.00 C ATOM 942 O PRO A 58 8.757 17.662 -8.934 1.00 0.00 O ATOM 943 CB PRO A 58 5.887 17.911 -8.076 1.00 0.00 C ATOM 944 CG PRO A 58 5.369 17.332 -6.739 1.00 0.00 C ATOM 945 CD PRO A 58 5.239 15.810 -6.939 1.00 0.00 C ATOM 0 HA PRO A 58 6.403 16.809 -9.903 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.604 18.713 -7.900 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.069 18.336 -8.658 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.059 17.558 -5.926 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.408 17.771 -6.473 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.709 15.260 -6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.194 15.500 -6.972 1.00 0.00 H new ATOM 953 N GLY A 59 8.566 15.676 -8.015 1.00 0.00 N ATOM 954 CA GLY A 59 10.033 15.601 -7.762 1.00 0.00 C ATOM 955 C GLY A 59 10.742 15.101 -9.022 1.00 0.00 C ATOM 956 O GLY A 59 11.772 15.616 -9.411 1.00 0.00 O ATOM 0 H GLY A 59 8.030 14.864 -7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.415 16.583 -7.482 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.235 14.930 -6.927 1.00 0.00 H new ATOM 960 N MET A 60 10.200 14.103 -9.663 1.00 0.00 N ATOM 961 CA MET A 60 10.843 13.571 -10.898 1.00 0.00 C ATOM 962 C MET A 60 9.779 12.931 -11.791 1.00 0.00 C ATOM 963 O MET A 60 8.643 12.763 -11.396 1.00 0.00 O ATOM 964 CB MET A 60 11.893 12.523 -10.517 1.00 0.00 C ATOM 965 CG MET A 60 11.198 11.245 -10.040 1.00 0.00 C ATOM 966 SD MET A 60 10.404 11.547 -8.442 1.00 0.00 S ATOM 967 CE MET A 60 9.261 10.145 -8.487 1.00 0.00 C ATOM 0 H MET A 60 9.339 13.632 -9.385 1.00 0.00 H new ATOM 0 HA MET A 60 11.326 14.386 -11.437 1.00 0.00 H new ATOM 0 HB2 MET A 60 12.530 12.304 -11.374 1.00 0.00 H new ATOM 0 HB3 MET A 60 12.540 12.912 -9.731 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.456 10.928 -10.772 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.923 10.436 -9.950 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.978 9.874 -7.470 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.370 10.420 -9.051 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.746 9.295 -8.967 1.00 0.00 H new ATOM 977 N ASP A 61 10.136 12.575 -12.994 1.00 0.00 N ATOM 978 CA ASP A 61 9.144 11.945 -13.911 1.00 0.00 C ATOM 979 C ASP A 61 9.156 10.428 -13.711 1.00 0.00 C ATOM 980 O ASP A 61 10.199 9.810 -13.647 1.00 0.00 O ATOM 981 CB ASP A 61 9.509 12.273 -15.360 1.00 0.00 C ATOM 982 CG ASP A 61 9.370 13.779 -15.593 1.00 0.00 C ATOM 983 OD1 ASP A 61 8.314 14.310 -15.295 1.00 0.00 O ATOM 984 OD2 ASP A 61 10.324 14.374 -16.067 1.00 0.00 O ATOM 0 H ASP A 61 11.072 12.693 -13.382 1.00 0.00 H new ATOM 0 HA ASP A 61 8.149 12.332 -13.691 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.530 11.954 -15.570 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.858 11.727 -16.043 1.00 0.00 H new ATOM 989 N GLY A 62 8.004 9.825 -13.614 1.00 0.00 N ATOM 990 CA GLY A 62 7.951 8.348 -13.419 1.00 0.00 C ATOM 991 C GLY A 62 8.118 7.643 -14.767 1.00 0.00 C ATOM 992 O GLY A 62 8.113 6.432 -14.848 1.00 0.00 O ATOM 0 H GLY A 62 7.097 10.290 -13.661 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.738 8.034 -12.733 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.001 8.065 -12.965 1.00 0.00 H new ATOM 996 N ILE A 63 8.265 8.393 -15.826 1.00 0.00 N ATOM 997 CA ILE A 63 8.433 7.762 -17.166 1.00 0.00 C ATOM 998 C ILE A 63 9.702 6.906 -17.171 1.00 0.00 C ATOM 999 O ILE A 63 9.720 5.809 -17.694 1.00 0.00 O ATOM 1000 CB ILE A 63 8.549 8.851 -18.232 1.00 0.00 C ATOM 1001 CG1 ILE A 63 7.186 9.522 -18.424 1.00 0.00 C ATOM 1002 CG2 ILE A 63 9.000 8.228 -19.554 1.00 0.00 C ATOM 1003 CD1 ILE A 63 6.238 8.555 -19.137 1.00 0.00 C ATOM 0 H ILE A 63 8.276 9.413 -15.821 1.00 0.00 H new ATOM 0 HA ILE A 63 7.569 7.133 -17.382 1.00 0.00 H new ATOM 0 HB ILE A 63 9.280 9.594 -17.914 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.771 9.809 -17.458 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.297 10.436 -19.008 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.082 9.006 -20.313 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.970 7.749 -19.418 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.270 7.485 -19.874 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.267 9.032 -19.274 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.653 8.290 -20.110 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.118 7.654 -18.536 1.00 0.00 H new ATOM 1015 N GLU A 64 10.763 7.398 -16.593 1.00 0.00 N ATOM 1016 CA GLU A 64 12.029 6.613 -16.566 1.00 0.00 C ATOM 1017 C GLU A 64 11.853 5.395 -15.655 1.00 0.00 C ATOM 1018 O GLU A 64 12.600 4.440 -15.730 1.00 0.00 O ATOM 1019 CB GLU A 64 13.162 7.491 -16.031 1.00 0.00 C ATOM 1020 CG GLU A 64 13.208 8.801 -16.818 1.00 0.00 C ATOM 1021 CD GLU A 64 13.940 8.576 -18.143 1.00 0.00 C ATOM 1022 OE1 GLU A 64 15.158 8.650 -18.144 1.00 0.00 O ATOM 1023 OE2 GLU A 64 13.269 8.333 -19.133 1.00 0.00 O ATOM 0 H GLU A 64 10.808 8.310 -16.138 1.00 0.00 H new ATOM 0 HA GLU A 64 12.273 6.281 -17.575 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.008 7.696 -14.972 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.114 6.968 -16.119 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.196 9.160 -17.006 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.716 9.570 -16.236 1.00 0.00 H new ATOM 1030 N ILE A 65 10.872 5.422 -14.795 1.00 0.00 N ATOM 1031 CA ILE A 65 10.650 4.266 -13.882 1.00 0.00 C ATOM 1032 C ILE A 65 10.141 3.070 -14.689 1.00 0.00 C ATOM 1033 O ILE A 65 10.670 1.979 -14.600 1.00 0.00 O ATOM 1034 CB ILE A 65 9.614 4.645 -12.823 1.00 0.00 C ATOM 1035 CG1 ILE A 65 10.003 5.980 -12.183 1.00 0.00 C ATOM 1036 CG2 ILE A 65 9.565 3.560 -11.745 1.00 0.00 C ATOM 1037 CD1 ILE A 65 11.308 5.811 -11.403 1.00 0.00 C ATOM 0 H ILE A 65 10.215 6.194 -14.685 1.00 0.00 H new ATOM 0 HA ILE A 65 11.588 4.002 -13.394 1.00 0.00 H new ATOM 0 HB ILE A 65 8.634 4.737 -13.291 1.00 0.00 H new ATOM 0 HG12 ILE A 65 10.123 6.743 -12.952 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.210 6.321 -11.517 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.827 3.830 -10.990 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.288 2.608 -12.199 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.545 3.468 -11.277 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.585 6.762 -10.947 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.172 5.061 -10.624 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.098 5.490 -12.081 1.00 0.00 H new ATOM 1049 N LEU A 66 9.118 3.265 -15.475 1.00 0.00 N ATOM 1050 CA LEU A 66 8.576 2.139 -16.286 1.00 0.00 C ATOM 1051 C LEU A 66 9.705 1.515 -17.110 1.00 0.00 C ATOM 1052 O LEU A 66 9.696 0.336 -17.402 1.00 0.00 O ATOM 1053 CB LEU A 66 7.488 2.663 -17.225 1.00 0.00 C ATOM 1054 CG LEU A 66 6.263 3.074 -16.407 1.00 0.00 C ATOM 1055 CD1 LEU A 66 5.105 3.403 -17.351 1.00 0.00 C ATOM 1056 CD2 LEU A 66 5.857 1.922 -15.485 1.00 0.00 C ATOM 0 H LEU A 66 8.634 4.155 -15.591 1.00 0.00 H new ATOM 0 HA LEU A 66 8.150 1.386 -15.623 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.862 3.515 -17.793 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.215 1.894 -17.947 1.00 0.00 H new ATOM 0 HG LEU A 66 6.504 3.952 -15.808 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.232 3.696 -16.768 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.394 4.223 -18.009 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.863 2.525 -17.950 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.984 2.214 -14.901 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.616 1.044 -16.084 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.681 1.687 -14.812 1.00 0.00 H new ATOM 1068 N LYS A 67 10.677 2.299 -17.490 1.00 0.00 N ATOM 1069 CA LYS A 67 11.804 1.751 -18.295 1.00 0.00 C ATOM 1070 C LYS A 67 12.682 0.865 -17.408 1.00 0.00 C ATOM 1071 O LYS A 67 12.808 -0.323 -17.629 1.00 0.00 O ATOM 1072 CB LYS A 67 12.642 2.904 -18.853 1.00 0.00 C ATOM 1073 CG LYS A 67 11.737 3.861 -19.632 1.00 0.00 C ATOM 1074 CD LYS A 67 12.476 4.363 -20.874 1.00 0.00 C ATOM 1075 CE LYS A 67 11.671 4.005 -22.126 1.00 0.00 C ATOM 1076 NZ LYS A 67 11.735 5.133 -23.097 1.00 0.00 N ATOM 0 H LYS A 67 10.739 3.295 -17.278 1.00 0.00 H new ATOM 0 HA LYS A 67 11.406 1.159 -19.119 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.137 3.435 -18.040 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.426 2.516 -19.504 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.817 3.353 -19.923 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.450 4.702 -19.001 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.617 5.442 -20.815 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.468 3.915 -20.926 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.069 3.097 -22.580 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.634 3.800 -21.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.188 4.890 -23.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.336 5.989 -22.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.726 5.308 -23.361 1.00 0.00 H new ATOM 1090 N ARG A 68 13.292 1.435 -16.404 1.00 0.00 N ATOM 1091 CA ARG A 68 14.162 0.625 -15.504 1.00 0.00 C ATOM 1092 C ARG A 68 13.378 -0.585 -14.993 1.00 0.00 C ATOM 1093 O ARG A 68 13.948 -1.568 -14.560 1.00 0.00 O ATOM 1094 CB ARG A 68 14.606 1.484 -14.318 1.00 0.00 C ATOM 1095 CG ARG A 68 15.295 2.750 -14.833 1.00 0.00 C ATOM 1096 CD ARG A 68 16.506 3.067 -13.955 1.00 0.00 C ATOM 1097 NE ARG A 68 17.610 3.594 -14.804 1.00 0.00 N ATOM 1098 CZ ARG A 68 17.538 4.801 -15.300 1.00 0.00 C ATOM 1099 NH1 ARG A 68 16.497 5.551 -15.055 1.00 0.00 N ATOM 1100 NH2 ARG A 68 18.509 5.258 -16.044 1.00 0.00 N ATOM 0 H ARG A 68 13.226 2.425 -16.168 1.00 0.00 H new ATOM 0 HA ARG A 68 15.039 0.284 -16.054 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.745 1.750 -13.705 1.00 0.00 H new ATOM 0 HB3 ARG A 68 15.288 0.920 -13.682 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.609 2.610 -15.867 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.596 3.587 -14.823 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.236 3.800 -13.195 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.833 2.169 -13.430 1.00 0.00 H new ATOM 0 HE ARG A 68 18.424 3.012 -14.999 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.737 5.195 -14.475 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.444 6.493 -15.444 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.322 4.673 -16.237 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.454 6.200 -16.432 1.00 0.00 H new ATOM 1114 N MET A 69 12.076 -0.523 -15.036 1.00 0.00 N ATOM 1115 CA MET A 69 11.257 -1.670 -14.552 1.00 0.00 C ATOM 1116 C MET A 69 11.297 -2.797 -15.586 1.00 0.00 C ATOM 1117 O MET A 69 11.706 -3.905 -15.296 1.00 0.00 O ATOM 1118 CB MET A 69 9.811 -1.215 -14.349 1.00 0.00 C ATOM 1119 CG MET A 69 9.756 -0.169 -13.235 1.00 0.00 C ATOM 1120 SD MET A 69 9.091 -0.923 -11.730 1.00 0.00 S ATOM 1121 CE MET A 69 7.967 0.420 -11.279 1.00 0.00 C ATOM 0 H MET A 69 11.543 0.273 -15.386 1.00 0.00 H new ATOM 0 HA MET A 69 11.660 -2.030 -13.606 1.00 0.00 H new ATOM 0 HB2 MET A 69 9.417 -0.796 -15.275 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.183 -2.068 -14.092 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.753 0.228 -13.045 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.131 0.670 -13.540 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.181 0.748 -10.262 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.104 1.255 -11.966 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.937 0.068 -11.337 1.00 0.00 H new ATOM 1131 N LYS A 70 10.877 -2.525 -16.790 1.00 0.00 N ATOM 1132 CA LYS A 70 10.891 -3.582 -17.842 1.00 0.00 C ATOM 1133 C LYS A 70 12.332 -4.030 -18.094 1.00 0.00 C ATOM 1134 O LYS A 70 12.576 -5.059 -18.692 1.00 0.00 O ATOM 1135 CB LYS A 70 10.297 -3.021 -19.136 1.00 0.00 C ATOM 1136 CG LYS A 70 11.197 -1.905 -19.669 1.00 0.00 C ATOM 1137 CD LYS A 70 10.533 -1.248 -20.880 1.00 0.00 C ATOM 1138 CE LYS A 70 9.357 -0.387 -20.414 1.00 0.00 C ATOM 1139 NZ LYS A 70 9.037 0.624 -21.461 1.00 0.00 N ATOM 0 H LYS A 70 10.524 -1.617 -17.092 1.00 0.00 H new ATOM 0 HA LYS A 70 10.298 -4.434 -17.510 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.203 -3.813 -19.879 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.294 -2.637 -18.951 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.373 -1.163 -18.891 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.169 -2.310 -19.949 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.257 -0.634 -21.416 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.185 -2.011 -21.576 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.487 -1.014 -20.221 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.605 0.111 -19.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.238 1.210 -21.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.867 1.229 -21.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.783 0.139 -22.345 1.00 0.00 H new ATOM 1153 N VAL A 71 13.288 -3.266 -17.642 1.00 0.00 N ATOM 1154 CA VAL A 71 14.712 -3.651 -17.856 1.00 0.00 C ATOM 1155 C VAL A 71 15.146 -4.631 -16.764 1.00 0.00 C ATOM 1156 O VAL A 71 15.816 -5.610 -17.026 1.00 0.00 O ATOM 1157 CB VAL A 71 15.592 -2.401 -17.798 1.00 0.00 C ATOM 1158 CG1 VAL A 71 17.040 -2.780 -18.110 1.00 0.00 C ATOM 1159 CG2 VAL A 71 15.099 -1.383 -18.830 1.00 0.00 C ATOM 0 H VAL A 71 13.145 -2.393 -17.134 1.00 0.00 H new ATOM 0 HA VAL A 71 14.817 -4.125 -18.832 1.00 0.00 H new ATOM 0 HB VAL A 71 15.538 -1.965 -16.800 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.666 -1.889 -18.069 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.392 -3.506 -17.377 1.00 0.00 H new ATOM 0 HG13 VAL A 71 17.095 -3.216 -19.107 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.725 -0.492 -18.790 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.154 -1.820 -19.827 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.067 -1.111 -18.609 1.00 0.00 H new ATOM 1169 N ILE A 72 14.770 -4.375 -15.541 1.00 0.00 N ATOM 1170 CA ILE A 72 15.160 -5.292 -14.434 1.00 0.00 C ATOM 1171 C ILE A 72 14.357 -6.590 -14.539 1.00 0.00 C ATOM 1172 O ILE A 72 14.910 -7.670 -14.613 1.00 0.00 O ATOM 1173 CB ILE A 72 14.871 -4.621 -13.090 1.00 0.00 C ATOM 1174 CG1 ILE A 72 15.790 -3.413 -12.916 1.00 0.00 C ATOM 1175 CG2 ILE A 72 15.119 -5.617 -11.956 1.00 0.00 C ATOM 1176 CD1 ILE A 72 17.226 -3.831 -13.213 1.00 0.00 C ATOM 0 H ILE A 72 14.209 -3.570 -15.261 1.00 0.00 H new ATOM 0 HA ILE A 72 16.224 -5.517 -14.507 1.00 0.00 H new ATOM 0 HB ILE A 72 13.831 -4.295 -13.065 1.00 0.00 H new ATOM 0 HG12 ILE A 72 15.486 -2.610 -13.587 1.00 0.00 H new ATOM 0 HG13 ILE A 72 15.714 -3.026 -11.900 1.00 0.00 H new ATOM 0 HG21 ILE A 72 14.913 -5.138 -10.999 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.463 -6.479 -12.079 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.158 -5.945 -11.981 1.00 0.00 H new ATOM 0 HD11 ILE A 72 17.887 -2.973 -13.091 1.00 0.00 H new ATOM 0 HD12 ILE A 72 17.525 -4.621 -12.524 1.00 0.00 H new ATOM 0 HD13 ILE A 72 17.294 -4.198 -14.237 1.00 0.00 H new ATOM 1188 N ASP A 73 13.056 -6.495 -14.546 1.00 0.00 N ATOM 1189 CA ASP A 73 12.219 -7.723 -14.647 1.00 0.00 C ATOM 1190 C ASP A 73 11.182 -7.544 -15.757 1.00 0.00 C ATOM 1191 O ASP A 73 10.512 -6.533 -15.837 1.00 0.00 O ATOM 1192 CB ASP A 73 11.504 -7.964 -13.315 1.00 0.00 C ATOM 1193 CG ASP A 73 12.256 -9.028 -12.516 1.00 0.00 C ATOM 1194 OD1 ASP A 73 13.464 -9.112 -12.669 1.00 0.00 O ATOM 1195 OD2 ASP A 73 11.612 -9.744 -11.766 1.00 0.00 O ATOM 0 H ASP A 73 12.536 -5.619 -14.486 1.00 0.00 H new ATOM 0 HA ASP A 73 12.855 -8.578 -14.878 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.452 -7.036 -12.745 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.478 -8.286 -13.494 1.00 0.00 H new ATOM 1200 N GLU A 74 11.043 -8.518 -16.615 1.00 0.00 N ATOM 1201 CA GLU A 74 10.049 -8.403 -17.718 1.00 0.00 C ATOM 1202 C GLU A 74 8.700 -8.954 -17.250 1.00 0.00 C ATOM 1203 O GLU A 74 7.819 -9.222 -18.043 1.00 0.00 O ATOM 1204 CB GLU A 74 10.535 -9.203 -18.929 1.00 0.00 C ATOM 1205 CG GLU A 74 11.201 -8.259 -19.930 1.00 0.00 C ATOM 1206 CD GLU A 74 10.241 -7.983 -21.090 1.00 0.00 C ATOM 1207 OE1 GLU A 74 10.154 -8.819 -21.973 1.00 0.00 O ATOM 1208 OE2 GLU A 74 9.609 -6.939 -21.073 1.00 0.00 O ATOM 0 H GLU A 74 11.575 -9.388 -16.599 1.00 0.00 H new ATOM 0 HA GLU A 74 9.936 -7.355 -17.997 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.241 -9.970 -18.612 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.696 -9.716 -19.400 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.473 -7.325 -19.439 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.123 -8.702 -20.305 1.00 0.00 H new ATOM 1215 N ASN A 75 8.533 -9.125 -15.967 1.00 0.00 N ATOM 1216 CA ASN A 75 7.241 -9.659 -15.450 1.00 0.00 C ATOM 1217 C ASN A 75 6.734 -8.760 -14.320 1.00 0.00 C ATOM 1218 O ASN A 75 6.170 -9.226 -13.350 1.00 0.00 O ATOM 1219 CB ASN A 75 7.452 -11.078 -14.917 1.00 0.00 C ATOM 1220 CG ASN A 75 8.600 -11.078 -13.905 1.00 0.00 C ATOM 1221 OD1 ASN A 75 8.704 -10.186 -13.087 1.00 0.00 O ATOM 1222 ND2 ASN A 75 9.471 -12.050 -13.926 1.00 0.00 N ATOM 0 H ASN A 75 9.234 -8.918 -15.255 1.00 0.00 H new ATOM 0 HA ASN A 75 6.507 -9.679 -16.256 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.538 -11.441 -14.446 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.678 -11.757 -15.739 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.239 -12.061 -13.255 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.383 -12.799 -14.613 1.00 0.00 H new ATOM 1229 N ILE A 76 6.929 -7.475 -14.438 1.00 0.00 N ATOM 1230 CA ILE A 76 6.459 -6.549 -13.370 1.00 0.00 C ATOM 1231 C ILE A 76 5.318 -5.685 -13.913 1.00 0.00 C ATOM 1232 O ILE A 76 5.330 -5.271 -15.055 1.00 0.00 O ATOM 1233 CB ILE A 76 7.614 -5.650 -12.929 1.00 0.00 C ATOM 1234 CG1 ILE A 76 7.074 -4.523 -12.046 1.00 0.00 C ATOM 1235 CG2 ILE A 76 8.294 -5.049 -14.162 1.00 0.00 C ATOM 1236 CD1 ILE A 76 7.787 -4.548 -10.693 1.00 0.00 C ATOM 0 H ILE A 76 7.393 -7.027 -15.228 1.00 0.00 H new ATOM 0 HA ILE A 76 6.104 -7.127 -12.517 1.00 0.00 H new ATOM 0 HB ILE A 76 8.338 -6.239 -12.366 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.228 -3.560 -12.533 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.000 -4.640 -11.905 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.117 -4.408 -13.847 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.679 -5.851 -14.792 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.571 -4.460 -14.726 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.402 -3.745 -10.064 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.610 -5.507 -10.206 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.858 -4.410 -10.843 1.00 0.00 H new ATOM 1248 N ARG A 77 4.334 -5.408 -13.102 1.00 0.00 N ATOM 1249 CA ARG A 77 3.194 -4.571 -13.572 1.00 0.00 C ATOM 1250 C ARG A 77 3.329 -3.159 -12.999 1.00 0.00 C ATOM 1251 O ARG A 77 3.996 -2.942 -12.007 1.00 0.00 O ATOM 1252 CB ARG A 77 1.877 -5.191 -13.099 1.00 0.00 C ATOM 1253 CG ARG A 77 1.650 -6.520 -13.821 1.00 0.00 C ATOM 1254 CD ARG A 77 1.028 -7.528 -12.852 1.00 0.00 C ATOM 1255 NE ARG A 77 0.642 -8.760 -13.598 1.00 0.00 N ATOM 1256 CZ ARG A 77 1.553 -9.630 -13.943 1.00 0.00 C ATOM 1257 NH1 ARG A 77 2.806 -9.425 -13.637 1.00 0.00 N ATOM 1258 NH2 ARG A 77 1.210 -10.708 -14.594 1.00 0.00 N ATOM 0 H ARG A 77 4.270 -5.725 -12.135 1.00 0.00 H new ATOM 0 HA ARG A 77 3.202 -4.523 -14.661 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.904 -5.351 -12.021 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.050 -4.510 -13.299 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.994 -6.372 -14.679 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.595 -6.904 -14.204 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.737 -7.775 -12.062 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.153 -7.093 -12.369 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.335 -8.924 -13.839 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.075 -8.584 -13.127 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.515 -10.106 -13.908 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.232 -10.870 -14.833 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.920 -11.388 -14.864 1.00 0.00 H new ATOM 1272 N VAL A 78 2.700 -2.196 -13.615 1.00 0.00 N ATOM 1273 CA VAL A 78 2.792 -0.799 -13.104 1.00 0.00 C ATOM 1274 C VAL A 78 1.538 -0.022 -13.510 1.00 0.00 C ATOM 1275 O VAL A 78 1.314 0.250 -14.673 1.00 0.00 O ATOM 1276 CB VAL A 78 4.027 -0.120 -13.698 1.00 0.00 C ATOM 1277 CG1 VAL A 78 4.497 0.995 -12.762 1.00 0.00 C ATOM 1278 CG2 VAL A 78 5.145 -1.151 -13.863 1.00 0.00 C ATOM 0 H VAL A 78 2.126 -2.316 -14.450 1.00 0.00 H new ATOM 0 HA VAL A 78 2.872 -0.815 -12.017 1.00 0.00 H new ATOM 0 HB VAL A 78 3.776 0.304 -14.670 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.377 1.479 -13.186 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.701 1.730 -12.643 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.748 0.572 -11.789 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.026 -0.668 -14.286 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.396 -1.575 -12.890 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.811 -1.946 -14.530 1.00 0.00 H new ATOM 1288 N ILE A 79 0.720 0.339 -12.560 1.00 0.00 N ATOM 1289 CA ILE A 79 -0.518 1.099 -12.892 1.00 0.00 C ATOM 1290 C ILE A 79 -0.233 2.600 -12.803 1.00 0.00 C ATOM 1291 O ILE A 79 0.711 3.026 -12.168 1.00 0.00 O ATOM 1292 CB ILE A 79 -1.623 0.730 -11.901 1.00 0.00 C ATOM 1293 CG1 ILE A 79 -1.946 -0.761 -12.032 1.00 0.00 C ATOM 1294 CG2 ILE A 79 -2.878 1.551 -12.204 1.00 0.00 C ATOM 1295 CD1 ILE A 79 -2.853 -1.191 -10.877 1.00 0.00 C ATOM 0 H ILE A 79 0.855 0.141 -11.569 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.839 0.849 -13.903 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.287 0.943 -10.886 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.437 -0.955 -12.986 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.026 -1.345 -12.023 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.665 1.287 -11.497 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.649 2.613 -12.113 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.216 1.339 -13.218 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.083 -2.252 -10.971 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.345 -1.012 -9.929 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.778 -0.615 -10.907 1.00 0.00 H new ATOM 1307 N ILE A 80 -1.042 3.406 -13.435 1.00 0.00 N ATOM 1308 CA ILE A 80 -0.815 4.879 -13.384 1.00 0.00 C ATOM 1309 C ILE A 80 -1.976 5.547 -12.646 1.00 0.00 C ATOM 1310 O ILE A 80 -3.116 5.464 -13.058 1.00 0.00 O ATOM 1311 CB ILE A 80 -0.729 5.446 -14.807 1.00 0.00 C ATOM 1312 CG1 ILE A 80 -0.319 4.341 -15.786 1.00 0.00 C ATOM 1313 CG2 ILE A 80 0.312 6.567 -14.843 1.00 0.00 C ATOM 1314 CD1 ILE A 80 0.061 4.962 -17.132 1.00 0.00 C ATOM 0 H ILE A 80 -1.849 3.109 -13.984 1.00 0.00 H new ATOM 0 HA ILE A 80 0.120 5.077 -12.860 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.704 5.838 -15.097 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.523 3.778 -15.383 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.139 3.636 -15.918 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.376 6.972 -15.853 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.019 7.358 -14.153 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.284 6.171 -14.549 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.352 4.174 -17.827 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.793 5.505 -17.536 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.895 5.650 -16.993 1.00 0.00 H new ATOM 1326 N MET A 81 -1.698 6.207 -11.555 1.00 0.00 N ATOM 1327 CA MET A 81 -2.790 6.878 -10.794 1.00 0.00 C ATOM 1328 C MET A 81 -2.788 8.375 -11.110 1.00 0.00 C ATOM 1329 O MET A 81 -2.477 9.196 -10.270 1.00 0.00 O ATOM 1330 CB MET A 81 -2.567 6.674 -9.293 1.00 0.00 C ATOM 1331 CG MET A 81 -1.902 5.317 -9.052 1.00 0.00 C ATOM 1332 SD MET A 81 -2.199 4.795 -7.345 1.00 0.00 S ATOM 1333 CE MET A 81 -0.751 5.591 -6.608 1.00 0.00 C ATOM 0 H MET A 81 -0.764 6.311 -11.158 1.00 0.00 H new ATOM 0 HA MET A 81 -3.749 6.447 -11.081 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.940 7.473 -8.896 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.519 6.723 -8.764 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.301 4.576 -9.745 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.831 5.386 -9.241 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.614 5.226 -5.590 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.134 5.357 -7.200 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.900 6.671 -6.589 1.00 0.00 H new ATOM 1343 N THR A 82 -3.133 8.737 -12.316 1.00 0.00 N ATOM 1344 CA THR A 82 -3.149 10.181 -12.684 1.00 0.00 C ATOM 1345 C THR A 82 -3.572 10.329 -14.147 1.00 0.00 C ATOM 1346 O THR A 82 -2.942 11.026 -14.917 1.00 0.00 O ATOM 1347 CB THR A 82 -1.750 10.773 -12.494 1.00 0.00 C ATOM 1348 OG1 THR A 82 -1.756 12.134 -12.897 1.00 0.00 O ATOM 1349 CG2 THR A 82 -0.745 9.991 -13.342 1.00 0.00 C ATOM 0 H THR A 82 -3.404 8.096 -13.061 1.00 0.00 H new ATOM 0 HA THR A 82 -3.856 10.711 -12.046 1.00 0.00 H new ATOM 0 HB THR A 82 -1.465 10.706 -11.444 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.008 12.194 -13.842 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.251 10.413 -13.207 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.742 8.946 -13.031 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.027 10.056 -14.393 1.00 0.00 H new ATOM 1357 N ALA A 83 -4.635 9.680 -14.536 1.00 0.00 N ATOM 1358 CA ALA A 83 -5.096 9.785 -15.949 1.00 0.00 C ATOM 1359 C ALA A 83 -5.785 11.135 -16.163 1.00 0.00 C ATOM 1360 O ALA A 83 -6.093 11.515 -17.275 1.00 0.00 O ATOM 1361 CB ALA A 83 -6.082 8.655 -16.249 1.00 0.00 C ATOM 0 H ALA A 83 -5.204 9.082 -13.937 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.239 9.706 -16.617 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.420 8.731 -17.283 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.591 7.694 -16.098 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.939 8.733 -15.581 1.00 0.00 H new ATOM 1458 N ILE A 90 -0.207 7.702 -21.895 1.00 0.00 N ATOM 1459 CA ILE A 90 -1.109 6.704 -21.255 1.00 0.00 C ATOM 1460 C ILE A 90 -1.431 5.591 -22.254 1.00 0.00 C ATOM 1461 O ILE A 90 -1.044 4.454 -22.077 1.00 0.00 O ATOM 1462 CB ILE A 90 -2.405 7.392 -20.822 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -2.088 8.464 -19.776 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.356 6.357 -20.217 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -3.391 9.092 -19.278 1.00 0.00 C ATOM 0 HA ILE A 90 -0.616 6.276 -20.382 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.876 7.856 -21.689 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.542 8.023 -18.942 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.445 9.230 -20.208 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.279 6.848 -19.909 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.582 5.592 -20.960 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.885 5.893 -19.351 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.166 9.855 -18.533 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.919 9.547 -20.116 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.018 8.321 -18.830 1.00 0.00 H new ATOM 1477 N GLN A 91 -2.137 5.911 -23.305 1.00 0.00 N ATOM 1478 CA GLN A 91 -2.482 4.870 -24.314 1.00 0.00 C ATOM 1479 C GLN A 91 -1.229 4.069 -24.669 1.00 0.00 C ATOM 1480 O GLN A 91 -1.276 2.866 -24.833 1.00 0.00 O ATOM 1481 CB GLN A 91 -3.031 5.545 -25.573 1.00 0.00 C ATOM 1482 CG GLN A 91 -4.200 4.725 -26.123 1.00 0.00 C ATOM 1483 CD GLN A 91 -4.198 4.794 -27.651 1.00 0.00 C ATOM 1484 OE1 GLN A 91 -3.234 4.416 -28.286 1.00 0.00 O ATOM 1485 NE2 GLN A 91 -5.245 5.265 -28.272 1.00 0.00 N ATOM 0 H GLN A 91 -2.489 6.847 -23.508 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.236 4.199 -23.902 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.361 6.558 -25.341 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.246 5.629 -26.325 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -4.117 3.689 -25.795 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -5.143 5.109 -25.732 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -6.054 5.582 -27.739 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.254 5.316 -29.291 1.00 0.00 H new ATOM 1494 N GLU A 92 -0.108 4.725 -24.790 1.00 0.00 N ATOM 1495 CA GLU A 92 1.147 3.999 -25.134 1.00 0.00 C ATOM 1496 C GLU A 92 1.693 3.302 -23.886 1.00 0.00 C ATOM 1497 O GLU A 92 2.278 2.240 -23.963 1.00 0.00 O ATOM 1498 CB GLU A 92 2.185 4.995 -25.656 1.00 0.00 C ATOM 1499 CG GLU A 92 2.776 4.475 -26.969 1.00 0.00 C ATOM 1500 CD GLU A 92 2.436 5.446 -28.101 1.00 0.00 C ATOM 1501 OE1 GLU A 92 3.212 6.360 -28.325 1.00 0.00 O ATOM 1502 OE2 GLU A 92 1.404 5.258 -28.725 1.00 0.00 O ATOM 0 H GLU A 92 -0.007 5.732 -24.666 1.00 0.00 H new ATOM 0 HA GLU A 92 0.937 3.255 -25.903 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.723 5.969 -25.814 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.976 5.133 -24.918 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.857 4.371 -26.877 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.378 3.485 -27.193 1.00 0.00 H new ATOM 1509 N SER A 93 1.506 3.891 -22.736 1.00 0.00 N ATOM 1510 CA SER A 93 2.015 3.262 -21.486 1.00 0.00 C ATOM 1511 C SER A 93 1.370 1.886 -21.308 1.00 0.00 C ATOM 1512 O SER A 93 1.831 1.068 -20.537 1.00 0.00 O ATOM 1513 CB SER A 93 1.664 4.148 -20.290 1.00 0.00 C ATOM 1514 OG SER A 93 2.777 4.974 -19.976 1.00 0.00 O ATOM 0 H SER A 93 1.023 4.780 -22.609 1.00 0.00 H new ATOM 0 HA SER A 93 3.097 3.150 -21.550 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.794 4.763 -20.521 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.400 3.531 -19.431 1.00 0.00 H new ATOM 0 HG SER A 93 2.555 5.545 -19.211 1.00 0.00 H new ATOM 1520 N LYS A 94 0.306 1.624 -22.016 1.00 0.00 N ATOM 1521 CA LYS A 94 -0.367 0.299 -21.887 1.00 0.00 C ATOM 1522 C LYS A 94 0.541 -0.791 -22.457 1.00 0.00 C ATOM 1523 O LYS A 94 1.172 -1.531 -21.727 1.00 0.00 O ATOM 1524 CB LYS A 94 -1.687 0.321 -22.662 1.00 0.00 C ATOM 1525 CG LYS A 94 -2.848 0.058 -21.701 1.00 0.00 C ATOM 1526 CD LYS A 94 -3.888 1.171 -21.839 1.00 0.00 C ATOM 1527 CE LYS A 94 -5.290 0.584 -21.667 1.00 0.00 C ATOM 1528 NZ LYS A 94 -5.368 -0.145 -20.371 1.00 0.00 N ATOM 0 H LYS A 94 -0.127 2.269 -22.678 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.566 0.092 -20.835 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.818 1.286 -23.151 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.673 -0.435 -23.447 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.303 -0.908 -21.919 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.482 0.013 -20.675 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.711 1.943 -21.090 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.799 1.647 -22.815 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.035 1.380 -21.694 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.516 -0.093 -22.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.365 -0.264 -20.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.923 -1.080 -20.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.871 0.398 -19.637 1.00 0.00 H new ATOM 1542 N GLU A 95 0.614 -0.898 -23.756 1.00 0.00 N ATOM 1543 CA GLU A 95 1.483 -1.941 -24.371 1.00 0.00 C ATOM 1544 C GLU A 95 2.925 -1.747 -23.900 1.00 0.00 C ATOM 1545 O GLU A 95 3.716 -2.670 -23.896 1.00 0.00 O ATOM 1546 CB GLU A 95 1.422 -1.821 -25.895 1.00 0.00 C ATOM 1547 CG GLU A 95 2.018 -0.479 -26.326 1.00 0.00 C ATOM 1548 CD GLU A 95 3.257 -0.723 -27.188 1.00 0.00 C ATOM 1549 OE1 GLU A 95 4.309 -0.969 -26.622 1.00 0.00 O ATOM 1550 OE2 GLU A 95 3.134 -0.659 -28.400 1.00 0.00 O ATOM 0 H GLU A 95 0.109 -0.308 -24.418 1.00 0.00 H new ATOM 0 HA GLU A 95 1.134 -2.929 -24.070 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.972 -2.641 -26.357 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.389 -1.898 -26.235 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.280 0.095 -26.886 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.283 0.112 -25.449 1.00 0.00 H new ATOM 1557 N LEU A 96 3.273 -0.555 -23.503 1.00 0.00 N ATOM 1558 CA LEU A 96 4.665 -0.303 -23.033 1.00 0.00 C ATOM 1559 C LEU A 96 4.903 -1.052 -21.720 1.00 0.00 C ATOM 1560 O LEU A 96 5.939 -1.654 -21.517 1.00 0.00 O ATOM 1561 CB LEU A 96 4.863 1.198 -22.807 1.00 0.00 C ATOM 1562 CG LEU A 96 5.121 1.886 -24.149 1.00 0.00 C ATOM 1563 CD1 LEU A 96 4.610 3.327 -24.090 1.00 0.00 C ATOM 1564 CD2 LEU A 96 6.625 1.890 -24.437 1.00 0.00 C ATOM 0 H LEU A 96 2.654 0.256 -23.483 1.00 0.00 H new ATOM 0 HA LEU A 96 5.372 -0.654 -23.785 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.980 1.625 -22.331 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.702 1.367 -22.132 1.00 0.00 H new ATOM 0 HG LEU A 96 4.599 1.348 -24.940 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.794 3.818 -25.046 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.540 3.325 -23.883 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.132 3.866 -23.299 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.811 2.380 -25.393 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.146 2.429 -23.646 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.990 0.864 -24.478 1.00 0.00 H new ATOM 1576 N GLY A 97 3.952 -1.021 -20.828 1.00 0.00 N ATOM 1577 CA GLY A 97 4.125 -1.732 -19.530 1.00 0.00 C ATOM 1578 C GLY A 97 3.250 -1.070 -18.463 1.00 0.00 C ATOM 1579 O GLY A 97 3.718 -0.700 -17.405 1.00 0.00 O ATOM 0 H GLY A 97 3.063 -0.534 -20.942 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.852 -2.782 -19.639 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.171 -1.705 -19.225 1.00 0.00 H new ATOM 1583 N ALA A 98 1.982 -0.920 -18.733 1.00 0.00 N ATOM 1584 CA ALA A 98 1.079 -0.282 -17.734 1.00 0.00 C ATOM 1585 C ALA A 98 -0.249 -1.041 -17.689 1.00 0.00 C ATOM 1586 O ALA A 98 -1.090 -0.892 -18.553 1.00 0.00 O ATOM 1587 CB ALA A 98 0.821 1.173 -18.134 1.00 0.00 C ATOM 0 H ALA A 98 1.533 -1.211 -19.601 1.00 0.00 H new ATOM 0 HA ALA A 98 1.548 -0.311 -16.751 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.160 1.640 -17.403 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.766 1.715 -18.166 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.352 1.202 -19.118 1.00 0.00 H new ATOM 1593 N LEU A 99 -0.445 -1.854 -16.688 1.00 0.00 N ATOM 1594 CA LEU A 99 -1.718 -2.622 -16.588 1.00 0.00 C ATOM 1595 C LEU A 99 -2.898 -1.689 -16.871 1.00 0.00 C ATOM 1596 O LEU A 99 -3.602 -1.842 -17.849 1.00 0.00 O ATOM 1597 CB LEU A 99 -1.856 -3.205 -15.181 1.00 0.00 C ATOM 1598 CG LEU A 99 -0.898 -4.387 -15.019 1.00 0.00 C ATOM 1599 CD1 LEU A 99 -1.176 -5.093 -13.692 1.00 0.00 C ATOM 1600 CD2 LEU A 99 -1.105 -5.374 -16.172 1.00 0.00 C ATOM 0 H LEU A 99 0.222 -2.020 -15.934 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.711 -3.433 -17.316 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.635 -2.440 -14.436 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.882 -3.530 -15.010 1.00 0.00 H new ATOM 0 HG LEU A 99 0.130 -4.023 -15.029 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.493 -5.935 -13.578 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.030 -4.393 -12.870 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.204 -5.456 -13.681 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.423 -6.216 -16.057 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.133 -5.736 -16.161 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.907 -4.873 -17.120 1.00 0.00 H new ATOM 1612 N THR A 100 -3.118 -0.723 -16.022 1.00 0.00 N ATOM 1613 CA THR A 100 -4.252 0.218 -16.243 1.00 0.00 C ATOM 1614 C THR A 100 -3.817 1.637 -15.870 1.00 0.00 C ATOM 1615 O THR A 100 -2.671 1.881 -15.550 1.00 0.00 O ATOM 1616 CB THR A 100 -5.439 -0.199 -15.370 1.00 0.00 C ATOM 1617 OG1 THR A 100 -6.597 0.518 -15.774 1.00 0.00 O ATOM 1618 CG2 THR A 100 -5.130 0.111 -13.905 1.00 0.00 C ATOM 0 H THR A 100 -2.562 -0.545 -15.186 1.00 0.00 H new ATOM 0 HA THR A 100 -4.547 0.192 -17.292 1.00 0.00 H new ATOM 0 HB THR A 100 -5.616 -1.269 -15.483 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.358 0.251 -15.217 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.975 -0.186 -13.284 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.242 -0.440 -13.596 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.953 1.180 -13.789 1.00 0.00 H new ATOM 1626 N HIS A 101 -4.725 2.573 -15.908 1.00 0.00 N ATOM 1627 CA HIS A 101 -4.365 3.976 -15.557 1.00 0.00 C ATOM 1628 C HIS A 101 -5.507 4.609 -14.758 1.00 0.00 C ATOM 1629 O HIS A 101 -6.432 5.164 -15.316 1.00 0.00 O ATOM 1630 CB HIS A 101 -4.134 4.779 -16.839 1.00 0.00 C ATOM 1631 CG HIS A 101 -3.545 6.119 -16.493 1.00 0.00 C ATOM 1632 ND1 HIS A 101 -2.611 6.746 -17.303 1.00 0.00 N ATOM 1633 CD2 HIS A 101 -3.747 6.963 -15.430 1.00 0.00 C ATOM 1634 CE1 HIS A 101 -2.288 7.915 -16.720 1.00 0.00 C ATOM 1635 NE2 HIS A 101 -2.952 8.097 -15.575 1.00 0.00 N ATOM 0 H HIS A 101 -5.701 2.427 -16.167 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.455 3.979 -14.957 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.463 4.236 -17.505 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -5.075 4.911 -17.373 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -2.237 6.387 -18.181 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -4.420 6.776 -14.606 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -1.579 8.620 -17.128 1.00 0.00 H new ATOM 1643 N PHE A 102 -5.451 4.531 -13.456 1.00 0.00 N ATOM 1644 CA PHE A 102 -6.535 5.127 -12.627 1.00 0.00 C ATOM 1645 C PHE A 102 -6.342 6.643 -12.550 1.00 0.00 C ATOM 1646 O PHE A 102 -5.241 7.143 -12.656 1.00 0.00 O ATOM 1647 CB PHE A 102 -6.488 4.534 -11.217 1.00 0.00 C ATOM 1648 CG PHE A 102 -7.074 3.142 -11.237 1.00 0.00 C ATOM 1649 CD1 PHE A 102 -6.250 2.040 -11.496 1.00 0.00 C ATOM 1650 CD2 PHE A 102 -8.440 2.955 -10.995 1.00 0.00 C ATOM 1651 CE1 PHE A 102 -6.793 0.750 -11.514 1.00 0.00 C ATOM 1652 CE2 PHE A 102 -8.982 1.664 -11.012 1.00 0.00 C ATOM 1653 CZ PHE A 102 -8.160 0.562 -11.272 1.00 0.00 C ATOM 0 H PHE A 102 -4.701 4.080 -12.932 1.00 0.00 H new ATOM 0 HA PHE A 102 -7.501 4.905 -13.080 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.459 4.502 -10.858 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -7.047 5.166 -10.526 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -5.196 2.185 -11.682 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -9.075 3.805 -10.795 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.158 -0.100 -11.714 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -10.036 1.519 -10.824 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.579 -0.433 -11.286 1.00 0.00 H new ATOM 1663 N ALA A 103 -7.405 7.377 -12.366 1.00 0.00 N ATOM 1664 CA ALA A 103 -7.278 8.860 -12.282 1.00 0.00 C ATOM 1665 C ALA A 103 -8.215 9.391 -11.196 1.00 0.00 C ATOM 1666 O ALA A 103 -8.652 8.662 -10.328 1.00 0.00 O ATOM 1667 CB ALA A 103 -7.656 9.479 -13.629 1.00 0.00 C ATOM 0 H ALA A 103 -8.354 7.015 -12.270 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.250 9.124 -12.035 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.564 10.563 -13.570 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.989 9.100 -14.404 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.685 9.215 -13.875 1.00 0.00 H new ATOM 1673 N LYS A 104 -8.528 10.658 -11.237 1.00 0.00 N ATOM 1674 CA LYS A 104 -9.437 11.235 -10.206 1.00 0.00 C ATOM 1675 C LYS A 104 -10.889 11.108 -10.682 1.00 0.00 C ATOM 1676 O LYS A 104 -11.169 11.276 -11.852 1.00 0.00 O ATOM 1677 CB LYS A 104 -9.093 12.713 -9.998 1.00 0.00 C ATOM 1678 CG LYS A 104 -10.134 13.360 -9.082 1.00 0.00 C ATOM 1679 CD LYS A 104 -10.046 14.881 -9.203 1.00 0.00 C ATOM 1680 CE LYS A 104 -9.900 15.498 -7.812 1.00 0.00 C ATOM 1681 NZ LYS A 104 -11.243 15.610 -7.174 1.00 0.00 N ATOM 0 H LYS A 104 -8.194 11.318 -11.939 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.315 10.698 -9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.100 12.807 -9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.068 13.229 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.134 13.020 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.964 13.056 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.195 15.158 -9.826 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.939 15.269 -9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.244 14.883 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.438 16.482 -7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.144 16.030 -6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.856 16.214 -7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.668 14.664 -7.090 1.00 0.00 H new ATOM 1695 N PRO A 105 -11.770 10.816 -9.758 1.00 0.00 N ATOM 1696 CA PRO A 105 -11.422 10.613 -8.340 1.00 0.00 C ATOM 1697 C PRO A 105 -10.814 9.223 -8.131 1.00 0.00 C ATOM 1698 O PRO A 105 -10.611 8.476 -9.068 1.00 0.00 O ATOM 1699 CB PRO A 105 -12.768 10.733 -7.620 1.00 0.00 C ATOM 1700 CG PRO A 105 -13.856 10.429 -8.676 1.00 0.00 C ATOM 1701 CD PRO A 105 -13.207 10.660 -10.055 1.00 0.00 C ATOM 0 HA PRO A 105 -10.682 11.325 -7.974 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -12.827 10.031 -6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -12.898 11.732 -7.204 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -14.211 9.403 -8.582 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -14.720 11.079 -8.540 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -13.386 9.819 -10.725 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -13.612 11.547 -10.542 1.00 0.00 H new ATOM 1709 N PHE A 106 -10.519 8.871 -6.910 1.00 0.00 N ATOM 1710 CA PHE A 106 -9.925 7.532 -6.642 1.00 0.00 C ATOM 1711 C PHE A 106 -10.903 6.695 -5.815 1.00 0.00 C ATOM 1712 O PHE A 106 -11.084 6.922 -4.636 1.00 0.00 O ATOM 1713 CB PHE A 106 -8.616 7.700 -5.867 1.00 0.00 C ATOM 1714 CG PHE A 106 -7.548 6.829 -6.484 1.00 0.00 C ATOM 1715 CD1 PHE A 106 -7.235 6.961 -7.842 1.00 0.00 C ATOM 1716 CD2 PHE A 106 -6.870 5.890 -5.697 1.00 0.00 C ATOM 1717 CE1 PHE A 106 -6.244 6.154 -8.413 1.00 0.00 C ATOM 1718 CE2 PHE A 106 -5.879 5.082 -6.268 1.00 0.00 C ATOM 1719 CZ PHE A 106 -5.566 5.215 -7.627 1.00 0.00 C ATOM 0 H PHE A 106 -10.664 9.454 -6.086 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.726 7.028 -7.588 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.303 8.744 -5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.763 7.428 -4.822 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.758 7.685 -8.449 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -7.111 5.789 -4.649 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.002 6.256 -9.461 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.357 4.357 -5.661 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.801 4.593 -8.068 1.00 0.00 H new ATOM 1729 N ASP A 107 -11.534 5.729 -6.423 1.00 0.00 N ATOM 1730 CA ASP A 107 -12.500 4.880 -5.670 1.00 0.00 C ATOM 1731 C ASP A 107 -11.761 3.681 -5.072 1.00 0.00 C ATOM 1732 O ASP A 107 -11.408 2.749 -5.765 1.00 0.00 O ATOM 1733 CB ASP A 107 -13.593 4.385 -6.618 1.00 0.00 C ATOM 1734 CG ASP A 107 -14.549 3.463 -5.859 1.00 0.00 C ATOM 1735 OD1 ASP A 107 -14.558 3.526 -4.641 1.00 0.00 O ATOM 1736 OD2 ASP A 107 -15.256 2.710 -6.509 1.00 0.00 O ATOM 0 H ASP A 107 -11.423 5.491 -7.408 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.953 5.465 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -14.140 5.232 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.147 3.852 -7.458 1.00 0.00 H new ATOM 1741 N ILE A 108 -11.524 3.697 -3.789 1.00 0.00 N ATOM 1742 CA ILE A 108 -10.806 2.560 -3.148 1.00 0.00 C ATOM 1743 C ILE A 108 -11.392 1.237 -3.645 1.00 0.00 C ATOM 1744 O ILE A 108 -10.735 0.215 -3.639 1.00 0.00 O ATOM 1745 CB ILE A 108 -10.964 2.649 -1.630 1.00 0.00 C ATOM 1746 CG1 ILE A 108 -10.134 3.820 -1.099 1.00 0.00 C ATOM 1747 CG2 ILE A 108 -10.477 1.349 -0.987 1.00 0.00 C ATOM 1748 CD1 ILE A 108 -8.703 3.714 -1.629 1.00 0.00 C ATOM 0 H ILE A 108 -11.797 4.449 -3.157 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.748 2.607 -3.408 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.014 2.805 -1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.579 4.765 -1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.131 3.812 -0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.590 1.414 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.067 0.513 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.427 1.192 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.112 4.548 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.260 2.775 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.715 3.743 -2.719 1.00 0.00 H new ATOM 1760 N ASP A 109 -12.624 1.244 -4.073 1.00 0.00 N ATOM 1761 CA ASP A 109 -13.249 -0.017 -4.568 1.00 0.00 C ATOM 1762 C ASP A 109 -12.657 -0.380 -5.932 1.00 0.00 C ATOM 1763 O ASP A 109 -12.293 -1.513 -6.177 1.00 0.00 O ATOM 1764 CB ASP A 109 -14.760 0.183 -4.706 1.00 0.00 C ATOM 1765 CG ASP A 109 -15.418 0.057 -3.331 1.00 0.00 C ATOM 1766 OD1 ASP A 109 -14.741 -0.366 -2.407 1.00 0.00 O ATOM 1767 OD2 ASP A 109 -16.589 0.385 -3.224 1.00 0.00 O ATOM 0 H ASP A 109 -13.226 2.067 -4.102 1.00 0.00 H new ATOM 0 HA ASP A 109 -13.051 -0.822 -3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.970 1.163 -5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -15.175 -0.558 -5.389 1.00 0.00 H new ATOM 1772 N GLU A 110 -12.558 0.569 -6.820 1.00 0.00 N ATOM 1773 CA GLU A 110 -11.991 0.275 -8.167 1.00 0.00 C ATOM 1774 C GLU A 110 -10.493 -0.011 -8.039 1.00 0.00 C ATOM 1775 O GLU A 110 -9.907 -0.680 -8.866 1.00 0.00 O ATOM 1776 CB GLU A 110 -12.204 1.481 -9.084 1.00 0.00 C ATOM 1777 CG GLU A 110 -12.667 0.999 -10.462 1.00 0.00 C ATOM 1778 CD GLU A 110 -13.670 1.997 -11.041 1.00 0.00 C ATOM 1779 OE1 GLU A 110 -14.085 2.882 -10.310 1.00 0.00 O ATOM 1780 OE2 GLU A 110 -14.008 1.859 -12.205 1.00 0.00 O ATOM 0 H GLU A 110 -12.845 1.536 -6.672 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.492 -0.596 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -12.947 2.152 -8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -11.278 2.048 -9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.812 0.898 -11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -13.125 0.013 -10.379 1.00 0.00 H new ATOM 1787 N ILE A 111 -9.870 0.491 -7.010 1.00 0.00 N ATOM 1788 CA ILE A 111 -8.411 0.248 -6.830 1.00 0.00 C ATOM 1789 C ILE A 111 -8.190 -1.186 -6.345 1.00 0.00 C ATOM 1790 O ILE A 111 -7.476 -1.955 -6.956 1.00 0.00 O ATOM 1791 CB ILE A 111 -7.854 1.228 -5.795 1.00 0.00 C ATOM 1792 CG1 ILE A 111 -8.321 2.646 -6.134 1.00 0.00 C ATOM 1793 CG2 ILE A 111 -6.326 1.176 -5.812 1.00 0.00 C ATOM 1794 CD1 ILE A 111 -7.585 3.144 -7.379 1.00 0.00 C ATOM 0 H ILE A 111 -10.308 1.059 -6.285 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.898 0.394 -7.781 1.00 0.00 H new ATOM 0 HB ILE A 111 -8.214 0.953 -4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -9.397 2.654 -6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.129 3.314 -5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.930 1.874 -5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.994 0.166 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.964 1.450 -6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.918 4.154 -7.619 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.512 3.152 -7.188 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.800 2.482 -8.218 1.00 0.00 H new ATOM 1806 N ARG A 112 -8.799 -1.551 -5.250 1.00 0.00 N ATOM 1807 CA ARG A 112 -8.626 -2.935 -4.727 1.00 0.00 C ATOM 1808 C ARG A 112 -9.118 -3.941 -5.771 1.00 0.00 C ATOM 1809 O ARG A 112 -8.596 -5.032 -5.889 1.00 0.00 O ATOM 1810 CB ARG A 112 -9.437 -3.098 -3.439 1.00 0.00 C ATOM 1811 CG ARG A 112 -10.897 -2.729 -3.704 1.00 0.00 C ATOM 1812 CD ARG A 112 -11.621 -2.516 -2.374 1.00 0.00 C ATOM 1813 NE ARG A 112 -12.720 -3.513 -2.241 1.00 0.00 N ATOM 1814 CZ ARG A 112 -13.282 -3.719 -1.079 1.00 0.00 C ATOM 1815 NH1 ARG A 112 -12.884 -3.052 -0.029 1.00 0.00 N ATOM 1816 NH2 ARG A 112 -14.245 -4.593 -0.968 1.00 0.00 N ATOM 0 H ARG A 112 -9.409 -0.950 -4.695 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.572 -3.115 -4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -9.370 -4.126 -3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.027 -2.461 -2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.950 -1.823 -4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.385 -3.520 -4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.920 -2.619 -1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.025 -1.505 -2.326 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.035 -4.036 -3.058 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.132 -2.368 -0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -13.325 -3.215 0.876 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.558 -5.114 -1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.685 -4.755 -0.062 1.00 0.00 H new ATOM 1830 N ASP A 113 -10.117 -3.582 -6.528 1.00 0.00 N ATOM 1831 CA ASP A 113 -10.642 -4.517 -7.563 1.00 0.00 C ATOM 1832 C ASP A 113 -9.567 -4.757 -8.625 1.00 0.00 C ATOM 1833 O ASP A 113 -9.200 -5.880 -8.909 1.00 0.00 O ATOM 1834 CB ASP A 113 -11.882 -3.907 -8.220 1.00 0.00 C ATOM 1835 CG ASP A 113 -13.096 -4.120 -7.314 1.00 0.00 C ATOM 1836 OD1 ASP A 113 -12.897 -4.324 -6.128 1.00 0.00 O ATOM 1837 OD2 ASP A 113 -14.204 -4.074 -7.822 1.00 0.00 O ATOM 0 H ASP A 113 -10.593 -2.681 -6.475 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.909 -5.465 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.728 -2.842 -8.395 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.055 -4.368 -9.193 1.00 0.00 H new ATOM 1842 N ALA A 114 -9.059 -3.710 -9.216 1.00 0.00 N ATOM 1843 CA ALA A 114 -8.010 -3.879 -10.259 1.00 0.00 C ATOM 1844 C ALA A 114 -6.850 -4.698 -9.688 1.00 0.00 C ATOM 1845 O ALA A 114 -6.315 -5.574 -10.339 1.00 0.00 O ATOM 1846 CB ALA A 114 -7.498 -2.505 -10.696 1.00 0.00 C ATOM 0 H ALA A 114 -9.326 -2.745 -9.021 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.433 -4.399 -11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.730 -2.629 -11.460 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -8.324 -1.922 -11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -7.075 -1.984 -9.837 1.00 0.00 H new ATOM 1852 N VAL A 115 -6.455 -4.420 -8.475 1.00 0.00 N ATOM 1853 CA VAL A 115 -5.330 -5.182 -7.864 1.00 0.00 C ATOM 1854 C VAL A 115 -5.758 -6.635 -7.646 1.00 0.00 C ATOM 1855 O VAL A 115 -4.947 -7.539 -7.659 1.00 0.00 O ATOM 1856 CB VAL A 115 -4.960 -4.552 -6.520 1.00 0.00 C ATOM 1857 CG1 VAL A 115 -3.992 -5.473 -5.774 1.00 0.00 C ATOM 1858 CG2 VAL A 115 -4.290 -3.197 -6.761 1.00 0.00 C ATOM 0 H VAL A 115 -6.863 -3.698 -7.881 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.467 -5.154 -8.529 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.861 -4.412 -5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.728 -5.024 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.467 -6.439 -5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.090 -5.612 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.026 -2.747 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.388 -3.338 -7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.978 -2.540 -7.293 1.00 0.00 H new ATOM 1868 N LYS A 116 -7.027 -6.866 -7.446 1.00 0.00 N ATOM 1869 CA LYS A 116 -7.503 -8.261 -7.227 1.00 0.00 C ATOM 1870 C LYS A 116 -7.362 -9.057 -8.525 1.00 0.00 C ATOM 1871 O LYS A 116 -6.833 -10.152 -8.539 1.00 0.00 O ATOM 1872 CB LYS A 116 -8.973 -8.236 -6.802 1.00 0.00 C ATOM 1873 CG LYS A 116 -9.091 -7.626 -5.404 1.00 0.00 C ATOM 1874 CD LYS A 116 -9.680 -8.660 -4.443 1.00 0.00 C ATOM 1875 CE LYS A 116 -8.847 -9.942 -4.497 1.00 0.00 C ATOM 1876 NZ LYS A 116 -9.072 -10.735 -3.256 1.00 0.00 N ATOM 0 H LYS A 116 -7.753 -6.150 -7.425 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.906 -8.731 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -9.558 -7.655 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -9.380 -9.247 -6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -8.111 -7.304 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.725 -6.740 -5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.691 -8.263 -3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -10.714 -8.874 -4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.123 -10.531 -5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.790 -9.697 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -8.720 -11.704 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -8.564 -10.292 -2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.089 -10.764 -3.042 1.00 0.00 H new ATOM 1890 N LYS A 117 -7.830 -8.518 -9.617 1.00 0.00 N ATOM 1891 CA LYS A 117 -7.721 -9.245 -10.913 1.00 0.00 C ATOM 1892 C LYS A 117 -6.246 -9.413 -11.283 1.00 0.00 C ATOM 1893 O LYS A 117 -5.858 -10.384 -11.903 1.00 0.00 O ATOM 1894 CB LYS A 117 -8.433 -8.446 -12.007 1.00 0.00 C ATOM 1895 CG LYS A 117 -9.788 -9.088 -12.310 1.00 0.00 C ATOM 1896 CD LYS A 117 -10.092 -8.960 -13.804 1.00 0.00 C ATOM 1897 CE LYS A 117 -11.007 -7.756 -14.037 1.00 0.00 C ATOM 1898 NZ LYS A 117 -12.423 -8.215 -14.107 1.00 0.00 N ATOM 0 H LYS A 117 -8.283 -7.606 -9.668 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.185 -10.227 -10.818 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -8.572 -7.414 -11.686 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -7.822 -8.420 -12.909 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.778 -10.138 -12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -10.570 -8.603 -11.726 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -9.166 -8.840 -14.366 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.570 -9.869 -14.168 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.887 -7.033 -13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.731 -7.250 -14.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.046 -7.397 -14.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.531 -8.889 -14.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.682 -8.679 -13.213 1.00 0.00 H new ATOM 1912 N TYR A 118 -5.421 -8.475 -10.906 1.00 0.00 N ATOM 1913 CA TYR A 118 -3.971 -8.583 -11.236 1.00 0.00 C ATOM 1914 C TYR A 118 -3.322 -9.646 -10.347 1.00 0.00 C ATOM 1915 O TYR A 118 -2.994 -10.727 -10.795 1.00 0.00 O ATOM 1916 CB TYR A 118 -3.292 -7.233 -10.995 1.00 0.00 C ATOM 1917 CG TYR A 118 -3.860 -6.207 -11.947 1.00 0.00 C ATOM 1918 CD1 TYR A 118 -4.130 -6.557 -13.275 1.00 0.00 C ATOM 1919 CD2 TYR A 118 -4.118 -4.905 -11.500 1.00 0.00 C ATOM 1920 CE1 TYR A 118 -4.657 -5.606 -14.157 1.00 0.00 C ATOM 1921 CE2 TYR A 118 -4.645 -3.954 -12.383 1.00 0.00 C ATOM 1922 CZ TYR A 118 -4.914 -4.305 -13.711 1.00 0.00 C ATOM 1923 OH TYR A 118 -5.434 -3.367 -14.581 1.00 0.00 O ATOM 0 H TYR A 118 -5.687 -7.640 -10.385 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.857 -8.866 -12.282 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.448 -6.914 -9.964 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.216 -7.324 -11.141 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.932 -7.561 -13.620 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -3.911 -4.634 -10.475 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.865 -5.877 -15.182 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -4.844 -2.950 -12.039 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.210 -2.933 -14.169 1.00 0.00 H new ATOM 1933 N LEU A 119 -3.135 -9.349 -9.091 1.00 0.00 N ATOM 1934 CA LEU A 119 -2.507 -10.344 -8.176 1.00 0.00 C ATOM 1935 C LEU A 119 -3.598 -11.244 -7.582 1.00 0.00 C ATOM 1936 O LEU A 119 -4.651 -10.767 -7.208 1.00 0.00 O ATOM 1937 CB LEU A 119 -1.782 -9.607 -7.048 1.00 0.00 C ATOM 1938 CG LEU A 119 -0.743 -10.532 -6.412 1.00 0.00 C ATOM 1939 CD1 LEU A 119 0.332 -9.694 -5.720 1.00 0.00 C ATOM 1940 CD2 LEU A 119 -1.427 -11.435 -5.382 1.00 0.00 C ATOM 0 H LEU A 119 -3.390 -8.461 -8.658 1.00 0.00 H new ATOM 0 HA LEU A 119 -1.793 -10.954 -8.729 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.296 -8.713 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.499 -9.278 -6.296 1.00 0.00 H new ATOM 0 HG LEU A 119 -0.282 -11.146 -7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.072 -10.354 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.819 -9.051 -6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.128 -9.079 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.687 -12.095 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.888 -10.821 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.193 -12.034 -5.875 1.00 0.00 H new ATOM 1952 N PRO A 120 -3.316 -12.522 -7.514 1.00 0.00 N ATOM 1953 CA PRO A 120 -4.261 -13.513 -6.970 1.00 0.00 C ATOM 1954 C PRO A 120 -4.254 -13.474 -5.439 1.00 0.00 C ATOM 1955 O PRO A 120 -3.237 -13.236 -4.819 1.00 0.00 O ATOM 1956 CB PRO A 120 -3.716 -14.848 -7.485 1.00 0.00 C ATOM 1957 CG PRO A 120 -2.220 -14.617 -7.798 1.00 0.00 C ATOM 1958 CD PRO A 120 -2.035 -13.098 -7.971 1.00 0.00 C ATOM 0 HA PRO A 120 -5.293 -13.334 -7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -3.840 -15.632 -6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -4.254 -15.169 -8.377 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -1.593 -14.994 -6.990 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -1.927 -15.148 -8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -1.198 -12.729 -7.378 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -1.829 -12.838 -9.009 1.00 0.00 H new ATOM 1966 N LEU A 121 -5.382 -13.708 -4.826 1.00 0.00 N ATOM 1967 CA LEU A 121 -5.439 -13.685 -3.337 1.00 0.00 C ATOM 1968 C LEU A 121 -6.172 -14.932 -2.836 1.00 0.00 C ATOM 1969 O LEU A 121 -6.311 -15.908 -3.546 1.00 0.00 O ATOM 1970 CB LEU A 121 -6.189 -12.434 -2.874 1.00 0.00 C ATOM 1971 CG LEU A 121 -5.229 -11.512 -2.118 1.00 0.00 C ATOM 1972 CD1 LEU A 121 -6.020 -10.377 -1.466 1.00 0.00 C ATOM 1973 CD2 LEU A 121 -4.501 -12.311 -1.035 1.00 0.00 C ATOM 0 H LEU A 121 -6.266 -13.914 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.426 -13.671 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -6.611 -11.912 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -7.023 -12.715 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.501 -11.096 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.337 -9.720 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -6.540 -9.807 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -6.747 -10.794 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.817 -11.655 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -5.229 -12.727 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.937 -13.121 -1.498 1.00 0.00 H new