USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -3.34! K(o=-3.3!,f=-1.7) USER MOD Single : A 24 SER OG : rot 160:sc=0.000129 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.371 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 145:sc= -0.771! USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= -0.444 (180deg=-0.463) USER MOD Single : A 42 ASN : amide:sc= -0.0505 K(o=-0.051,f=-1.2!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -4.35! K(o=-4.4!,f=-2.2) USER MOD Single : A 58 THR OG1 : rot -56:sc= 1.65 USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.095) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= 0.00179 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= 0.01 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.807 USER MOD Single : A 72 ASN : amide:sc= -6.77! C(o=-6.8!,f=-6.7!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -150:sc= 0.753 USER MOD Single : A 86 THR OG1 : rot -66:sc= 0.575 USER MOD Single : A 88 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.112) USER MOD Single : A 91 GLN : amide:sc= -2.14 K(o=-2.1,f=-9!) USER MOD Single : A 92 LYS NZ :NH3+ 153:sc= -0.726 (180deg=-1.5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 150:sc= -0.0435 USER MOD Single : A 104 THR OG1 : rot -29:sc= 0.0829 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -59:sc= 0.0529 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -7.537 6.340 3.238 1.00 0.00 N ATOM 67 CA ASP A 8 -6.551 6.805 2.270 1.00 0.00 C ATOM 68 C ASP A 8 -6.001 5.641 1.452 1.00 0.00 C ATOM 69 O ASP A 8 -5.490 5.832 0.348 1.00 0.00 O ATOM 70 CB ASP A 8 -5.407 7.529 2.983 1.00 0.00 C ATOM 71 CG ASP A 8 -4.389 8.098 2.015 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.785 8.890 1.135 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.196 7.751 2.138 1.00 0.00 O ATOM 0 HA ASP A 8 -7.045 7.501 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.815 8.336 3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.910 6.836 3.663 1.00 0.00 H new ATOM 78 N VAL A 9 -6.109 4.436 2.001 1.00 0.00 N ATOM 79 CA VAL A 9 -5.623 3.240 1.322 1.00 0.00 C ATOM 80 C VAL A 9 -6.281 3.078 -0.044 1.00 0.00 C ATOM 81 O VAL A 9 -7.474 2.787 -0.138 1.00 0.00 O ATOM 82 CB VAL A 9 -5.883 1.974 2.159 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.493 0.728 1.379 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.130 2.044 3.479 1.00 0.00 C ATOM 0 H VAL A 9 -6.529 4.261 2.914 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.548 3.365 1.192 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.949 1.917 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.684 -0.156 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.082 0.673 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.433 0.773 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.325 1.141 4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.061 2.126 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.464 2.915 4.042 1.00 0.00 H new ATOM 94 N ILE A 10 -5.496 3.267 -1.099 1.00 0.00 N ATOM 95 CA ILE A 10 -6.002 3.139 -2.460 1.00 0.00 C ATOM 96 C ILE A 10 -5.817 1.720 -2.985 1.00 0.00 C ATOM 97 O ILE A 10 -4.800 1.079 -2.722 1.00 0.00 O ATOM 98 CB ILE A 10 -5.303 4.124 -3.415 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.529 5.565 -2.953 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.810 3.933 -4.837 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.545 6.550 -3.544 1.00 0.00 C ATOM 0 H ILE A 10 -4.507 3.509 -1.038 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.066 3.374 -2.424 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.232 3.922 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.541 5.869 -3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.462 5.604 -1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.307 4.636 -5.500 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.602 2.914 -5.164 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.885 4.112 -4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.765 7.551 -3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.532 6.270 -3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.628 6.540 -4.631 1.00 0.00 H new ATOM 113 N GLU A 11 -6.805 1.236 -3.730 1.00 0.00 N ATOM 114 CA GLU A 11 -6.749 -0.108 -4.293 1.00 0.00 C ATOM 115 C GLU A 11 -6.408 -0.061 -5.780 1.00 0.00 C ATOM 116 O GLU A 11 -6.930 0.771 -6.523 1.00 0.00 O ATOM 117 CB GLU A 11 -8.084 -0.827 -4.088 1.00 0.00 C ATOM 118 CG GLU A 11 -8.207 -2.120 -4.877 1.00 0.00 C ATOM 119 CD GLU A 11 -8.768 -1.903 -6.269 1.00 0.00 C ATOM 120 OE1 GLU A 11 -9.949 -1.516 -6.379 1.00 0.00 O ATOM 121 OE2 GLU A 11 -8.024 -2.122 -7.248 1.00 0.00 O ATOM 0 H GLU A 11 -7.654 1.754 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.964 -0.659 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.210 -1.045 -3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.895 -0.158 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.226 -2.589 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.850 -2.813 -4.334 1.00 0.00 H new ATOM 128 N LEU A 12 -5.527 -0.959 -6.207 1.00 0.00 N ATOM 129 CA LEU A 12 -5.114 -1.022 -7.605 1.00 0.00 C ATOM 130 C LEU A 12 -5.439 -2.385 -8.208 1.00 0.00 C ATOM 131 O LEU A 12 -5.684 -3.353 -7.488 1.00 0.00 O ATOM 132 CB LEU A 12 -3.616 -0.740 -7.727 1.00 0.00 C ATOM 133 CG LEU A 12 -3.104 0.501 -6.996 1.00 0.00 C ATOM 134 CD1 LEU A 12 -1.592 0.445 -6.843 1.00 0.00 C ATOM 135 CD2 LEU A 12 -3.521 1.765 -7.734 1.00 0.00 C ATOM 0 H LEU A 12 -5.085 -1.654 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.666 -0.261 -8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.072 -1.607 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.370 -0.641 -8.784 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.548 0.522 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.246 1.337 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.317 -0.441 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.128 0.399 -7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.148 2.638 -7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.106 1.752 -8.742 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.609 1.811 -7.790 1.00 0.00 H new ATOM 147 N THR A 13 -5.436 -2.454 -9.536 1.00 0.00 N ATOM 148 CA THR A 13 -5.728 -3.698 -10.237 1.00 0.00 C ATOM 149 C THR A 13 -4.611 -4.057 -11.209 1.00 0.00 C ATOM 150 O THR A 13 -3.772 -3.219 -11.543 1.00 0.00 O ATOM 151 CB THR A 13 -7.057 -3.608 -11.010 1.00 0.00 C ATOM 152 OG1 THR A 13 -7.992 -2.801 -10.285 1.00 0.00 O ATOM 153 CG2 THR A 13 -7.645 -4.992 -11.239 1.00 0.00 C ATOM 0 H THR A 13 -5.235 -1.663 -10.147 1.00 0.00 H new ATOM 0 HA THR A 13 -5.809 -4.477 -9.478 1.00 0.00 H new ATOM 0 HB THR A 13 -6.858 -3.151 -11.979 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.834 -2.748 -10.784 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.583 -4.903 -11.787 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.944 -5.594 -11.816 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.830 -5.472 -10.278 1.00 0.00 H new ATOM 161 N ASP A 14 -4.605 -5.306 -11.662 1.00 0.00 N ATOM 162 CA ASP A 14 -3.591 -5.775 -12.598 1.00 0.00 C ATOM 163 C ASP A 14 -3.295 -4.716 -13.655 1.00 0.00 C ATOM 164 O ASP A 14 -2.146 -4.528 -14.055 1.00 0.00 O ATOM 165 CB ASP A 14 -4.048 -7.071 -13.271 1.00 0.00 C ATOM 166 CG ASP A 14 -4.877 -6.816 -14.515 1.00 0.00 C ATOM 167 OD1 ASP A 14 -6.010 -6.308 -14.379 1.00 0.00 O ATOM 168 OD2 ASP A 14 -4.392 -7.123 -15.624 1.00 0.00 O ATOM 0 H ASP A 14 -5.292 -6.012 -11.396 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.676 -5.968 -12.037 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.175 -7.667 -13.536 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.632 -7.658 -12.563 1.00 0.00 H new ATOM 173 N ASP A 15 -4.339 -4.027 -14.103 1.00 0.00 N ATOM 174 CA ASP A 15 -4.191 -2.986 -15.114 1.00 0.00 C ATOM 175 C ASP A 15 -4.223 -1.600 -14.475 1.00 0.00 C ATOM 176 O ASP A 15 -3.761 -0.624 -15.064 1.00 0.00 O ATOM 177 CB ASP A 15 -5.297 -3.103 -16.163 1.00 0.00 C ATOM 178 CG ASP A 15 -4.943 -2.401 -17.459 1.00 0.00 C ATOM 179 OD1 ASP A 15 -3.749 -2.398 -17.825 1.00 0.00 O ATOM 180 OD2 ASP A 15 -5.860 -1.854 -18.107 1.00 0.00 O ATOM 0 H ASP A 15 -5.297 -4.170 -13.782 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.225 -3.120 -15.600 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.492 -4.156 -16.365 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.219 -2.679 -15.764 1.00 0.00 H new ATOM 185 N SER A 16 -4.774 -1.524 -13.268 1.00 0.00 N ATOM 186 CA SER A 16 -4.871 -0.257 -12.551 1.00 0.00 C ATOM 187 C SER A 16 -3.703 -0.089 -11.584 1.00 0.00 C ATOM 188 O SER A 16 -3.743 0.751 -10.685 1.00 0.00 O ATOM 189 CB SER A 16 -6.195 -0.179 -11.789 1.00 0.00 C ATOM 190 OG SER A 16 -7.216 0.383 -12.595 1.00 0.00 O ATOM 0 H SER A 16 -5.160 -2.324 -12.766 1.00 0.00 H new ATOM 0 HA SER A 16 -4.833 0.550 -13.282 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.491 -1.177 -11.465 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.065 0.423 -10.889 1.00 0.00 H new ATOM 0 HG SER A 16 -8.052 0.420 -12.085 1.00 0.00 H new ATOM 196 N PHE A 17 -2.664 -0.895 -11.776 1.00 0.00 N ATOM 197 CA PHE A 17 -1.484 -0.837 -10.920 1.00 0.00 C ATOM 198 C PHE A 17 -0.396 0.025 -11.553 1.00 0.00 C ATOM 199 O PHE A 17 0.350 0.713 -10.855 1.00 0.00 O ATOM 200 CB PHE A 17 -0.947 -2.246 -10.660 1.00 0.00 C ATOM 201 CG PHE A 17 0.487 -2.269 -10.216 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.513 -2.124 -11.136 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.810 -2.434 -8.879 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.834 -2.145 -10.730 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.129 -2.456 -8.467 1.00 0.00 C ATOM 206 CZ PHE A 17 3.143 -2.310 -9.394 1.00 0.00 C ATOM 0 H PHE A 17 -2.615 -1.595 -12.516 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.775 -0.386 -9.971 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.562 -2.726 -9.899 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.047 -2.838 -11.570 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.278 -1.993 -12.182 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.021 -2.547 -8.150 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.624 -2.032 -11.457 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.367 -2.587 -7.422 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.175 -2.325 -9.075 1.00 0.00 H new ATOM 216 N ASP A 18 -0.310 -0.019 -12.878 1.00 0.00 N ATOM 217 CA ASP A 18 0.686 0.758 -13.606 1.00 0.00 C ATOM 218 C ASP A 18 0.130 2.123 -13.999 1.00 0.00 C ATOM 219 O ASP A 18 0.730 3.158 -13.708 1.00 0.00 O ATOM 220 CB ASP A 18 1.143 0.001 -14.854 1.00 0.00 C ATOM 221 CG ASP A 18 -0.022 -0.502 -15.684 1.00 0.00 C ATOM 222 OD1 ASP A 18 -0.494 -1.628 -15.423 1.00 0.00 O ATOM 223 OD2 ASP A 18 -0.460 0.231 -16.596 1.00 0.00 O ATOM 0 H ASP A 18 -0.918 -0.585 -13.470 1.00 0.00 H new ATOM 0 HA ASP A 18 1.542 0.910 -12.949 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.765 0.655 -15.465 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.765 -0.843 -14.556 1.00 0.00 H new ATOM 228 N LYS A 19 -1.021 2.118 -14.664 1.00 0.00 N ATOM 229 CA LYS A 19 -1.659 3.355 -15.098 1.00 0.00 C ATOM 230 C LYS A 19 -1.875 4.299 -13.919 1.00 0.00 C ATOM 231 O LYS A 19 -2.134 5.487 -14.103 1.00 0.00 O ATOM 232 CB LYS A 19 -2.999 3.051 -15.773 1.00 0.00 C ATOM 233 CG LYS A 19 -4.109 2.707 -14.796 1.00 0.00 C ATOM 234 CD LYS A 19 -4.891 3.942 -14.383 1.00 0.00 C ATOM 235 CE LYS A 19 -5.829 4.404 -15.488 1.00 0.00 C ATOM 236 NZ LYS A 19 -6.876 5.331 -14.976 1.00 0.00 N ATOM 0 H LYS A 19 -1.531 1.271 -14.914 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.999 3.843 -15.815 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.302 3.915 -16.365 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.867 2.220 -16.466 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.785 1.983 -15.252 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.683 2.233 -13.912 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.466 3.725 -13.483 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.198 4.746 -14.133 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.253 4.902 -16.268 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.304 3.537 -15.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.495 5.623 -15.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.442 4.848 -14.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.424 6.171 -14.561 1.00 0.00 H new ATOM 250 N ASN A 20 -1.764 3.762 -12.709 1.00 0.00 N ATOM 251 CA ASN A 20 -1.946 4.557 -11.500 1.00 0.00 C ATOM 252 C ASN A 20 -0.602 4.883 -10.855 1.00 0.00 C ATOM 253 O ASN A 20 -0.473 5.865 -10.125 1.00 0.00 O ATOM 254 CB ASN A 20 -2.835 3.811 -10.503 1.00 0.00 C ATOM 255 CG ASN A 20 -4.307 3.913 -10.852 1.00 0.00 C ATOM 256 OD1 ASN A 20 -4.966 4.902 -10.529 1.00 0.00 O ATOM 257 ND2 ASN A 20 -4.830 2.888 -11.515 1.00 0.00 N ATOM 0 H ASN A 20 -1.549 2.780 -12.539 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.431 5.492 -11.780 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.543 2.761 -10.475 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.673 4.214 -9.503 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.816 2.900 -11.777 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.246 2.089 -11.762 1.00 0.00 H new ATOM 264 N VAL A 21 0.397 4.050 -11.131 1.00 0.00 N ATOM 265 CA VAL A 21 1.732 4.250 -10.580 1.00 0.00 C ATOM 266 C VAL A 21 2.686 4.800 -11.635 1.00 0.00 C ATOM 267 O VAL A 21 3.189 5.917 -11.512 1.00 0.00 O ATOM 268 CB VAL A 21 2.309 2.938 -10.017 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.710 3.162 -9.467 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.391 2.370 -8.944 1.00 0.00 C ATOM 0 H VAL A 21 0.307 3.231 -11.732 1.00 0.00 H new ATOM 0 HA VAL A 21 1.635 4.973 -9.770 1.00 0.00 H new ATOM 0 HB VAL A 21 2.375 2.213 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.101 2.224 -9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.361 3.520 -10.264 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.673 3.903 -8.668 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.814 1.443 -8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.291 3.090 -8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.410 2.170 -9.374 1.00 0.00 H new ATOM 280 N LEU A 22 2.930 4.008 -12.673 1.00 0.00 N ATOM 281 CA LEU A 22 3.824 4.415 -13.752 1.00 0.00 C ATOM 282 C LEU A 22 3.324 5.691 -14.421 1.00 0.00 C ATOM 283 O LEU A 22 4.087 6.635 -14.627 1.00 0.00 O ATOM 284 CB LEU A 22 3.945 3.297 -14.790 1.00 0.00 C ATOM 285 CG LEU A 22 4.162 1.888 -14.236 1.00 0.00 C ATOM 286 CD1 LEU A 22 4.618 0.945 -15.338 1.00 0.00 C ATOM 287 CD2 LEU A 22 5.173 1.912 -13.099 1.00 0.00 C ATOM 0 H LEU A 22 2.522 3.081 -12.791 1.00 0.00 H new ATOM 0 HA LEU A 22 4.806 4.612 -13.322 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.039 3.292 -15.397 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.774 3.535 -15.457 1.00 0.00 H new ATOM 0 HG LEU A 22 3.213 1.522 -13.844 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.767 -0.052 -14.925 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.859 0.904 -16.119 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.555 1.306 -15.761 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.315 0.901 -12.717 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.124 2.298 -13.466 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.805 2.554 -12.299 1.00 0.00 H new ATOM 299 N ASP A 23 2.039 5.714 -14.755 1.00 0.00 N ATOM 300 CA ASP A 23 1.436 6.877 -15.397 1.00 0.00 C ATOM 301 C ASP A 23 1.180 7.986 -14.382 1.00 0.00 C ATOM 302 O ASP A 23 0.549 8.996 -14.696 1.00 0.00 O ATOM 303 CB ASP A 23 0.126 6.485 -16.083 1.00 0.00 C ATOM 304 CG ASP A 23 -0.168 7.340 -17.300 1.00 0.00 C ATOM 305 OD1 ASP A 23 0.773 7.614 -18.074 1.00 0.00 O ATOM 306 OD2 ASP A 23 -1.339 7.734 -17.479 1.00 0.00 O ATOM 0 H ASP A 23 1.394 4.941 -14.592 1.00 0.00 H new ATOM 0 HA ASP A 23 2.133 7.249 -16.147 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.175 5.438 -16.381 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.695 6.576 -15.372 1.00 0.00 H new ATOM 311 N SER A 24 1.674 7.792 -13.163 1.00 0.00 N ATOM 312 CA SER A 24 1.494 8.774 -12.100 1.00 0.00 C ATOM 313 C SER A 24 2.842 9.227 -11.547 1.00 0.00 C ATOM 314 O SER A 24 3.687 8.406 -11.193 1.00 0.00 O ATOM 315 CB SER A 24 0.640 8.188 -10.974 1.00 0.00 C ATOM 316 OG SER A 24 0.247 9.193 -10.056 1.00 0.00 O ATOM 0 H SER A 24 2.202 6.964 -12.887 1.00 0.00 H new ATOM 0 HA SER A 24 0.983 9.640 -12.521 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.244 7.710 -11.395 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.203 7.414 -10.452 1.00 0.00 H new ATOM 0 HG SER A 24 -0.532 8.885 -9.547 1.00 0.00 H new ATOM 322 N GLU A 25 3.033 10.541 -11.476 1.00 0.00 N ATOM 323 CA GLU A 25 4.278 11.105 -10.967 1.00 0.00 C ATOM 324 C GLU A 25 4.261 11.173 -9.442 1.00 0.00 C ATOM 325 O GLU A 25 4.819 12.094 -8.845 1.00 0.00 O ATOM 326 CB GLU A 25 4.507 12.501 -11.548 1.00 0.00 C ATOM 327 CG GLU A 25 4.197 12.601 -13.032 1.00 0.00 C ATOM 328 CD GLU A 25 2.724 12.839 -13.306 1.00 0.00 C ATOM 329 OE1 GLU A 25 2.275 13.996 -13.166 1.00 0.00 O ATOM 330 OE2 GLU A 25 2.022 11.869 -13.659 1.00 0.00 O ATOM 0 H GLU A 25 2.342 11.234 -11.764 1.00 0.00 H new ATOM 0 HA GLU A 25 5.095 10.453 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.888 13.217 -11.007 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.545 12.789 -11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.779 13.413 -13.467 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.511 11.682 -13.528 1.00 0.00 H new ATOM 337 N ASP A 26 3.617 10.192 -8.819 1.00 0.00 N ATOM 338 CA ASP A 26 3.528 10.139 -7.365 1.00 0.00 C ATOM 339 C ASP A 26 4.039 8.803 -6.837 1.00 0.00 C ATOM 340 O ASP A 26 4.081 7.810 -7.565 1.00 0.00 O ATOM 341 CB ASP A 26 2.083 10.361 -6.913 1.00 0.00 C ATOM 342 CG ASP A 26 1.740 9.575 -5.663 1.00 0.00 C ATOM 343 OD1 ASP A 26 1.819 8.329 -5.705 1.00 0.00 O ATOM 344 OD2 ASP A 26 1.394 10.205 -4.643 1.00 0.00 O ATOM 0 H ASP A 26 3.149 9.423 -9.299 1.00 0.00 H new ATOM 0 HA ASP A 26 4.154 10.933 -6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.923 11.423 -6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.406 10.073 -7.717 1.00 0.00 H new ATOM 349 N VAL A 27 4.429 8.784 -5.566 1.00 0.00 N ATOM 350 CA VAL A 27 4.938 7.570 -4.940 1.00 0.00 C ATOM 351 C VAL A 27 3.798 6.659 -4.500 1.00 0.00 C ATOM 352 O VAL A 27 2.926 7.066 -3.732 1.00 0.00 O ATOM 353 CB VAL A 27 5.821 7.894 -3.721 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.334 6.615 -3.077 1.00 0.00 C ATOM 355 CG2 VAL A 27 6.977 8.797 -4.126 1.00 0.00 C ATOM 0 H VAL A 27 4.402 9.596 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 27 5.541 7.057 -5.689 1.00 0.00 H new ATOM 0 HB VAL A 27 5.215 8.424 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.956 6.865 -2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.490 6.008 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.925 6.054 -3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.591 9.016 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.584 8.295 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.585 9.728 -4.537 1.00 0.00 H new ATOM 365 N TRP A 28 3.811 5.425 -4.991 1.00 0.00 N ATOM 366 CA TRP A 28 2.777 4.455 -4.648 1.00 0.00 C ATOM 367 C TRP A 28 3.361 3.299 -3.843 1.00 0.00 C ATOM 368 O TRP A 28 4.199 2.547 -4.338 1.00 0.00 O ATOM 369 CB TRP A 28 2.107 3.922 -5.915 1.00 0.00 C ATOM 370 CG TRP A 28 1.205 4.921 -6.575 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.576 5.935 -7.411 1.00 0.00 C ATOM 372 CD2 TRP A 28 -0.219 5.003 -6.450 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.469 6.641 -7.814 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.645 6.089 -7.239 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.176 4.262 -5.751 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.985 6.452 -7.346 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.506 4.624 -5.857 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.900 5.709 -6.650 1.00 0.00 C ATOM 0 H TRP A 28 4.526 5.072 -5.628 1.00 0.00 H new ATOM 0 HA TRP A 28 2.030 4.960 -4.036 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.877 3.615 -6.623 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.530 3.032 -5.665 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.591 6.150 -7.711 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.475 7.446 -8.440 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.882 3.422 -5.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.291 7.289 -7.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.254 4.060 -5.319 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.947 5.965 -6.714 1.00 0.00 H new ATOM 389 N MET A 29 2.913 3.164 -2.599 1.00 0.00 N ATOM 390 CA MET A 29 3.391 2.098 -1.726 1.00 0.00 C ATOM 391 C MET A 29 2.469 0.885 -1.795 1.00 0.00 C ATOM 392 O MET A 29 1.422 0.851 -1.147 1.00 0.00 O ATOM 393 CB MET A 29 3.490 2.597 -0.283 1.00 0.00 C ATOM 394 CG MET A 29 4.820 3.259 0.041 1.00 0.00 C ATOM 395 SD MET A 29 4.996 3.642 1.794 1.00 0.00 S ATOM 396 CE MET A 29 6.202 2.413 2.289 1.00 0.00 C ATOM 0 H MET A 29 2.220 3.779 -2.173 1.00 0.00 H new ATOM 0 HA MET A 29 4.382 1.799 -2.068 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.685 3.308 -0.097 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.337 1.757 0.395 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.633 2.602 -0.267 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.915 4.177 -0.539 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.416 2.521 3.352 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.805 1.416 2.098 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.120 2.553 1.718 1.00 0.00 H new ATOM 406 N VAL A 30 2.864 -0.110 -2.583 1.00 0.00 N ATOM 407 CA VAL A 30 2.073 -1.325 -2.736 1.00 0.00 C ATOM 408 C VAL A 30 2.338 -2.300 -1.594 1.00 0.00 C ATOM 409 O VAL A 30 3.484 -2.659 -1.325 1.00 0.00 O ATOM 410 CB VAL A 30 2.373 -2.026 -4.074 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.577 -3.317 -4.191 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.073 -1.097 -5.241 1.00 0.00 C ATOM 0 H VAL A 30 3.728 -0.098 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 30 1.025 -1.025 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 30 3.433 -2.277 -4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.802 -3.798 -5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.846 -3.986 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.511 -3.093 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.291 -1.609 -6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.021 -0.813 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.692 -0.203 -5.163 1.00 0.00 H new ATOM 422 N GLU A 31 1.270 -2.723 -0.925 1.00 0.00 N ATOM 423 CA GLU A 31 1.388 -3.657 0.189 1.00 0.00 C ATOM 424 C GLU A 31 0.544 -4.905 -0.055 1.00 0.00 C ATOM 425 O GLU A 31 -0.641 -4.941 0.278 1.00 0.00 O ATOM 426 CB GLU A 31 0.959 -2.984 1.495 1.00 0.00 C ATOM 427 CG GLU A 31 0.848 -3.945 2.666 1.00 0.00 C ATOM 428 CD GLU A 31 -0.174 -3.497 3.693 1.00 0.00 C ATOM 429 OE1 GLU A 31 -1.386 -3.604 3.410 1.00 0.00 O ATOM 430 OE2 GLU A 31 0.237 -3.040 4.780 1.00 0.00 O ATOM 0 H GLU A 31 0.314 -2.434 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 31 2.433 -3.957 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.677 -2.202 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.004 -2.496 1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.576 -4.933 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.822 -4.041 3.146 1.00 0.00 H new ATOM 437 N PHE A 32 1.162 -5.925 -0.639 1.00 0.00 N ATOM 438 CA PHE A 32 0.469 -7.175 -0.929 1.00 0.00 C ATOM 439 C PHE A 32 0.013 -7.856 0.358 1.00 0.00 C ATOM 440 O PHE A 32 0.802 -8.051 1.283 1.00 0.00 O ATOM 441 CB PHE A 32 1.378 -8.115 -1.723 1.00 0.00 C ATOM 442 CG PHE A 32 1.917 -7.504 -2.985 1.00 0.00 C ATOM 443 CD1 PHE A 32 3.028 -6.678 -2.951 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.312 -7.757 -4.206 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.526 -6.114 -4.110 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.805 -7.196 -5.369 1.00 0.00 C ATOM 447 CZ PHE A 32 2.914 -6.375 -5.321 1.00 0.00 C ATOM 0 H PHE A 32 2.142 -5.911 -0.921 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.412 -6.942 -1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.212 -8.420 -1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.822 -9.018 -1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.511 -6.472 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.445 -8.400 -4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.392 -5.470 -4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.323 -7.400 -6.314 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.303 -5.937 -6.229 1.00 0.00 H new ATOM 457 N TYR A 33 -1.265 -8.215 0.410 1.00 0.00 N ATOM 458 CA TYR A 33 -1.827 -8.872 1.584 1.00 0.00 C ATOM 459 C TYR A 33 -2.798 -9.976 1.178 1.00 0.00 C ATOM 460 O TYR A 33 -3.241 -10.038 0.032 1.00 0.00 O ATOM 461 CB TYR A 33 -2.541 -7.851 2.472 1.00 0.00 C ATOM 462 CG TYR A 33 -3.943 -7.522 2.009 1.00 0.00 C ATOM 463 CD1 TYR A 33 -4.982 -8.428 2.180 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.227 -6.306 1.401 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.264 -8.132 1.758 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.506 -6.001 0.978 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.521 -6.917 1.158 1.00 0.00 C ATOM 468 OH TYR A 33 -7.797 -6.618 0.737 1.00 0.00 O ATOM 0 H TYR A 33 -1.931 -8.062 -0.347 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.008 -9.322 2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.585 -8.236 3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.953 -6.934 2.502 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.784 -9.380 2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.434 -5.587 1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.060 -8.848 1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.710 -5.050 0.509 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.808 -5.724 0.337 1.00 0.00 H new ATOM 478 N ALA A 34 -3.123 -10.848 2.127 1.00 0.00 N ATOM 479 CA ALA A 34 -4.042 -11.949 1.871 1.00 0.00 C ATOM 480 C ALA A 34 -5.227 -11.909 2.830 1.00 0.00 C ATOM 481 O ALA A 34 -5.077 -11.691 4.032 1.00 0.00 O ATOM 482 CB ALA A 34 -3.315 -13.281 1.983 1.00 0.00 C ATOM 0 H ALA A 34 -2.763 -10.813 3.081 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.425 -11.841 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.014 -14.095 1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.506 -13.316 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.903 -13.388 2.987 1.00 0.00 H new ATOM 488 N PRO A 35 -6.435 -12.125 2.288 1.00 0.00 N ATOM 489 CA PRO A 35 -7.670 -12.118 3.078 1.00 0.00 C ATOM 490 C PRO A 35 -7.767 -13.320 4.012 1.00 0.00 C ATOM 491 O PRO A 35 -8.608 -13.354 4.910 1.00 0.00 O ATOM 492 CB PRO A 35 -8.771 -12.177 2.017 1.00 0.00 C ATOM 493 CG PRO A 35 -8.129 -12.825 0.840 1.00 0.00 C ATOM 494 CD PRO A 35 -6.689 -12.391 0.862 1.00 0.00 C ATOM 0 HA PRO A 35 -7.732 -11.246 3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.628 -12.753 2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.136 -11.180 1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.210 -13.910 0.900 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.615 -12.519 -0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.029 -13.167 0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.528 -11.502 0.252 1.00 0.00 H new ATOM 502 N TRP A 36 -6.900 -14.302 3.796 1.00 0.00 N ATOM 503 CA TRP A 36 -6.888 -15.506 4.620 1.00 0.00 C ATOM 504 C TRP A 36 -5.590 -15.610 5.412 1.00 0.00 C ATOM 505 O TRP A 36 -5.279 -16.660 5.977 1.00 0.00 O ATOM 506 CB TRP A 36 -7.068 -16.748 3.746 1.00 0.00 C ATOM 507 CG TRP A 36 -6.376 -16.648 2.420 1.00 0.00 C ATOM 508 CD1 TRP A 36 -6.967 -16.570 1.191 1.00 0.00 C ATOM 509 CD2 TRP A 36 -4.963 -16.616 2.191 1.00 0.00 C ATOM 510 NE1 TRP A 36 -6.006 -16.492 0.212 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.769 -16.517 0.799 1.00 0.00 C ATOM 512 CE3 TRP A 36 -3.843 -16.660 3.026 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.501 -16.463 0.227 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.586 -16.605 2.456 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.422 -16.507 1.068 1.00 0.00 C ATOM 0 H TRP A 36 -6.196 -14.289 3.058 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.717 -15.443 5.325 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.688 -17.618 4.281 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.132 -16.916 3.580 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.033 -16.570 1.015 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.185 -16.426 -0.790 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.958 -16.736 4.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.373 -16.389 -0.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.714 -16.638 3.092 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.425 -16.465 0.654 1.00 0.00 H new ATOM 526 N CYS A 37 -4.836 -14.517 5.451 1.00 0.00 N ATOM 527 CA CYS A 37 -3.570 -14.487 6.174 1.00 0.00 C ATOM 528 C CYS A 37 -3.667 -13.587 7.402 1.00 0.00 C ATOM 529 O CYS A 37 -3.733 -12.365 7.285 1.00 0.00 O ATOM 530 CB CYS A 37 -2.446 -13.999 5.258 1.00 0.00 C ATOM 531 SG CYS A 37 -0.788 -14.211 5.947 1.00 0.00 S ATOM 0 H CYS A 37 -5.079 -13.640 4.990 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.345 -15.501 6.505 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.505 -14.535 4.311 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.604 -12.943 5.038 1.00 0.00 H new ATOM 0 HG CYS A 37 0.094 -13.772 5.099 1.00 0.00 H new ATOM 537 N GLY A 38 -3.677 -14.203 8.581 1.00 0.00 N ATOM 538 CA GLY A 38 -3.768 -13.443 9.814 1.00 0.00 C ATOM 539 C GLY A 38 -2.868 -12.223 9.811 1.00 0.00 C ATOM 540 O GLY A 38 -3.303 -11.121 10.147 1.00 0.00 O ATOM 0 H GLY A 38 -3.624 -15.214 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.800 -13.129 9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.502 -14.085 10.653 1.00 0.00 H new ATOM 544 N HIS A 39 -1.609 -12.420 9.434 1.00 0.00 N ATOM 545 CA HIS A 39 -0.644 -11.327 9.390 1.00 0.00 C ATOM 546 C HIS A 39 -1.280 -10.063 8.819 1.00 0.00 C ATOM 547 O HIS A 39 -1.186 -8.987 9.411 1.00 0.00 O ATOM 548 CB HIS A 39 0.571 -11.724 8.551 1.00 0.00 C ATOM 549 CG HIS A 39 1.585 -12.525 9.308 1.00 0.00 C ATOM 550 ND1 HIS A 39 2.599 -11.950 10.046 1.00 0.00 N ATOM 551 CD2 HIS A 39 1.738 -13.863 9.440 1.00 0.00 C ATOM 552 CE1 HIS A 39 3.332 -12.901 10.598 1.00 0.00 C ATOM 553 NE2 HIS A 39 2.830 -14.071 10.246 1.00 0.00 N ATOM 0 H HIS A 39 -1.233 -13.326 9.155 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.320 -11.121 10.410 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.235 -12.300 7.689 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.047 -10.822 8.166 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.117 -14.626 8.994 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.195 -12.748 11.229 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.194 -14.981 10.527 1.00 0.00 H new ATOM 562 N CYS A 40 -1.927 -10.201 7.667 1.00 0.00 N ATOM 563 CA CYS A 40 -2.577 -9.070 7.015 1.00 0.00 C ATOM 564 C CYS A 40 -3.590 -8.413 7.948 1.00 0.00 C ATOM 565 O CYS A 40 -3.522 -7.212 8.209 1.00 0.00 O ATOM 566 CB CYS A 40 -3.270 -9.524 5.730 1.00 0.00 C ATOM 567 SG CYS A 40 -4.577 -8.411 5.162 1.00 0.00 S ATOM 0 H CYS A 40 -2.015 -11.085 7.165 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.810 -8.337 6.766 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.523 -9.621 4.942 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.696 -10.515 5.890 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.594 -8.390 3.862 1.00 0.00 H new ATOM 573 N LYS A 41 -4.529 -9.209 8.446 1.00 0.00 N ATOM 574 CA LYS A 41 -5.558 -8.707 9.350 1.00 0.00 C ATOM 575 C LYS A 41 -4.967 -7.718 10.351 1.00 0.00 C ATOM 576 O LYS A 41 -5.552 -6.671 10.622 1.00 0.00 O ATOM 577 CB LYS A 41 -6.222 -9.867 10.095 1.00 0.00 C ATOM 578 CG LYS A 41 -7.423 -10.448 9.368 1.00 0.00 C ATOM 579 CD LYS A 41 -7.003 -11.476 8.331 1.00 0.00 C ATOM 580 CE LYS A 41 -8.112 -11.736 7.323 1.00 0.00 C ATOM 581 NZ LYS A 41 -8.058 -10.781 6.181 1.00 0.00 N ATOM 0 H LYS A 41 -4.599 -10.205 8.239 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.309 -8.189 8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.486 -10.656 10.252 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.536 -9.523 11.081 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.097 -10.911 10.089 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.979 -9.646 8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.112 -11.126 7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.736 -12.408 8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.030 -12.756 6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.080 -11.655 7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.840 -10.980 5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.145 -9.808 6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.152 -10.887 5.682 1.00 0.00 H new ATOM 595 N ASN A 42 -3.803 -8.058 10.894 1.00 0.00 N ATOM 596 CA ASN A 42 -3.132 -7.200 11.864 1.00 0.00 C ATOM 597 C ASN A 42 -2.487 -6.001 11.175 1.00 0.00 C ATOM 598 O ASN A 42 -2.339 -4.933 11.772 1.00 0.00 O ATOM 599 CB ASN A 42 -2.072 -7.992 12.632 1.00 0.00 C ATOM 600 CG ASN A 42 -2.682 -8.944 13.643 1.00 0.00 C ATOM 601 OD1 ASN A 42 -3.748 -8.678 14.198 1.00 0.00 O ATOM 602 ND2 ASN A 42 -2.005 -10.060 13.887 1.00 0.00 N ATOM 0 H ASN A 42 -3.305 -8.922 10.679 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.881 -6.834 12.566 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.462 -8.557 11.927 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.406 -7.299 13.146 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.365 -10.738 14.558 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.125 -10.239 13.403 1.00 0.00 H new ATOM 609 N LEU A 43 -2.105 -6.184 9.916 1.00 0.00 N ATOM 610 CA LEU A 43 -1.476 -5.118 9.144 1.00 0.00 C ATOM 611 C LEU A 43 -2.522 -4.152 8.597 1.00 0.00 C ATOM 612 O LEU A 43 -2.215 -3.003 8.282 1.00 0.00 O ATOM 613 CB LEU A 43 -0.659 -5.708 7.994 1.00 0.00 C ATOM 614 CG LEU A 43 0.029 -4.700 7.073 1.00 0.00 C ATOM 615 CD1 LEU A 43 1.146 -3.978 7.812 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.571 -5.395 5.832 1.00 0.00 C ATOM 0 H LEU A 43 -2.220 -7.061 9.408 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.811 -4.566 9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.103 -6.364 8.415 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.318 -6.332 7.389 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.708 -3.961 6.759 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.624 -3.265 7.141 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.732 -3.448 8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.883 -4.704 8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.057 -4.662 5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.294 -6.155 6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.250 -5.866 5.291 1.00 0.00 H new ATOM 628 N GLU A 44 -3.759 -4.627 8.488 1.00 0.00 N ATOM 629 CA GLU A 44 -4.851 -3.805 7.980 1.00 0.00 C ATOM 630 C GLU A 44 -4.837 -2.422 8.626 1.00 0.00 C ATOM 631 O GLU A 44 -4.724 -1.396 7.955 1.00 0.00 O ATOM 632 CB GLU A 44 -6.196 -4.487 8.237 1.00 0.00 C ATOM 633 CG GLU A 44 -7.336 -3.512 8.481 1.00 0.00 C ATOM 634 CD GLU A 44 -8.681 -4.203 8.595 1.00 0.00 C ATOM 635 OE1 GLU A 44 -8.880 -4.954 9.573 1.00 0.00 O ATOM 636 OE2 GLU A 44 -9.533 -3.994 7.707 1.00 0.00 O ATOM 0 H GLU A 44 -4.030 -5.576 8.745 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.712 -3.687 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.444 -5.116 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.101 -5.145 9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.141 -2.952 9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.371 -2.789 7.666 1.00 0.00 H new ATOM 643 N PRO A 45 -4.955 -2.393 9.962 1.00 0.00 N ATOM 644 CA PRO A 45 -4.959 -1.144 10.729 1.00 0.00 C ATOM 645 C PRO A 45 -3.594 -0.464 10.737 1.00 0.00 C ATOM 646 O PRO A 45 -3.501 0.761 10.800 1.00 0.00 O ATOM 647 CB PRO A 45 -5.339 -1.596 12.141 1.00 0.00 C ATOM 648 CG PRO A 45 -4.909 -3.021 12.211 1.00 0.00 C ATOM 649 CD PRO A 45 -5.093 -3.577 10.826 1.00 0.00 C ATOM 0 HA PRO A 45 -5.641 -0.407 10.304 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.837 -0.993 12.898 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.411 -1.497 12.313 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.869 -3.100 12.528 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.506 -3.574 12.936 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.343 -4.333 10.594 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.069 -4.049 10.709 1.00 0.00 H new ATOM 657 N GLU A 46 -2.537 -1.268 10.671 1.00 0.00 N ATOM 658 CA GLU A 46 -1.177 -0.742 10.671 1.00 0.00 C ATOM 659 C GLU A 46 -0.883 0.006 9.374 1.00 0.00 C ATOM 660 O GLU A 46 -0.066 0.927 9.348 1.00 0.00 O ATOM 661 CB GLU A 46 -0.167 -1.877 10.858 1.00 0.00 C ATOM 662 CG GLU A 46 -0.242 -2.539 12.223 1.00 0.00 C ATOM 663 CD GLU A 46 -0.319 -1.534 13.356 1.00 0.00 C ATOM 664 OE1 GLU A 46 -1.445 -1.144 13.728 1.00 0.00 O ATOM 665 OE2 GLU A 46 0.748 -1.137 13.870 1.00 0.00 O ATOM 0 H GLU A 46 -2.596 -2.285 10.617 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.085 -0.043 11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.333 -2.631 10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.839 -1.485 10.708 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.116 -3.190 12.260 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.633 -3.173 12.364 1.00 0.00 H new ATOM 672 N TRP A 47 -1.554 -0.397 8.301 1.00 0.00 N ATOM 673 CA TRP A 47 -1.365 0.235 7.000 1.00 0.00 C ATOM 674 C TRP A 47 -2.321 1.408 6.820 1.00 0.00 C ATOM 675 O TRP A 47 -1.943 2.455 6.295 1.00 0.00 O ATOM 676 CB TRP A 47 -1.573 -0.785 5.879 1.00 0.00 C ATOM 677 CG TRP A 47 -1.067 -0.317 4.548 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.809 0.201 3.526 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.292 -0.327 4.096 1.00 0.00 C ATOM 680 NE1 TRP A 47 -0.993 0.514 2.465 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.300 0.200 2.790 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.502 -0.728 4.668 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.471 0.334 2.049 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.663 -0.595 3.931 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.641 -0.066 2.634 1.00 0.00 C ATOM 0 H TRP A 47 -2.233 -1.158 8.306 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.344 0.613 6.953 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.069 -1.714 6.145 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.636 -1.011 5.796 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.879 0.344 3.548 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.301 0.915 1.579 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.529 -1.135 5.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.456 0.739 1.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.604 -0.904 4.362 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.566 0.028 2.085 1.00 0.00 H new ATOM 696 N ALA A 48 -3.563 1.227 7.259 1.00 0.00 N ATOM 697 CA ALA A 48 -4.573 2.272 7.148 1.00 0.00 C ATOM 698 C ALA A 48 -4.115 3.553 7.837 1.00 0.00 C ATOM 699 O ALA A 48 -4.215 4.642 7.272 1.00 0.00 O ATOM 700 CB ALA A 48 -5.892 1.796 7.738 1.00 0.00 C ATOM 0 H ALA A 48 -3.893 0.366 7.695 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.719 2.491 6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.637 2.587 7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.234 0.912 7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.751 1.548 8.790 1.00 0.00 H new ATOM 706 N ALA A 49 -3.613 3.415 9.060 1.00 0.00 N ATOM 707 CA ALA A 49 -3.138 4.562 9.824 1.00 0.00 C ATOM 708 C ALA A 49 -1.907 5.184 9.175 1.00 0.00 C ATOM 709 O ALA A 49 -1.824 6.402 9.019 1.00 0.00 O ATOM 710 CB ALA A 49 -2.831 4.150 11.256 1.00 0.00 C ATOM 0 H ALA A 49 -3.525 2.521 9.543 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.928 5.313 9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.477 5.016 11.816 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.735 3.760 11.724 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.061 3.379 11.256 1.00 0.00 H new ATOM 716 N ALA A 50 -0.953 4.339 8.797 1.00 0.00 N ATOM 717 CA ALA A 50 0.274 4.807 8.163 1.00 0.00 C ATOM 718 C ALA A 50 -0.033 5.690 6.958 1.00 0.00 C ATOM 719 O ALA A 50 0.571 6.747 6.782 1.00 0.00 O ATOM 720 CB ALA A 50 1.137 3.624 7.748 1.00 0.00 C ATOM 0 H ALA A 50 -1.006 3.328 8.919 1.00 0.00 H new ATOM 0 HA ALA A 50 0.824 5.407 8.888 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.050 3.987 7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.394 3.034 8.628 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.587 3.002 7.042 1.00 0.00 H new ATOM 726 N ALA A 51 -0.975 5.248 6.131 1.00 0.00 N ATOM 727 CA ALA A 51 -1.362 5.999 4.944 1.00 0.00 C ATOM 728 C ALA A 51 -1.727 7.437 5.298 1.00 0.00 C ATOM 729 O ALA A 51 -1.307 8.377 4.625 1.00 0.00 O ATOM 730 CB ALA A 51 -2.527 5.315 4.243 1.00 0.00 C ATOM 0 H ALA A 51 -1.484 4.374 6.262 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.508 6.024 4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.806 5.887 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.233 4.308 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.378 5.259 4.922 1.00 0.00 H new ATOM 736 N SER A 52 -2.511 7.599 6.360 1.00 0.00 N ATOM 737 CA SER A 52 -2.936 8.923 6.801 1.00 0.00 C ATOM 738 C SER A 52 -1.765 9.698 7.397 1.00 0.00 C ATOM 739 O SER A 52 -1.679 10.917 7.256 1.00 0.00 O ATOM 740 CB SER A 52 -4.061 8.803 7.831 1.00 0.00 C ATOM 741 OG SER A 52 -5.322 8.679 7.196 1.00 0.00 O ATOM 0 H SER A 52 -2.864 6.831 6.930 1.00 0.00 H new ATOM 0 HA SER A 52 -3.305 9.468 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.884 7.936 8.468 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.061 9.680 8.478 1.00 0.00 H new ATOM 0 HG SER A 52 -6.024 8.602 7.875 1.00 0.00 H new ATOM 747 N GLU A 53 -0.866 8.980 8.063 1.00 0.00 N ATOM 748 CA GLU A 53 0.300 9.601 8.682 1.00 0.00 C ATOM 749 C GLU A 53 1.350 9.953 7.632 1.00 0.00 C ATOM 750 O GLU A 53 2.172 10.847 7.836 1.00 0.00 O ATOM 751 CB GLU A 53 0.905 8.668 9.732 1.00 0.00 C ATOM 752 CG GLU A 53 2.290 9.088 10.194 1.00 0.00 C ATOM 753 CD GLU A 53 2.256 10.277 11.135 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.797 10.110 12.284 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.688 11.373 10.722 1.00 0.00 O ATOM 0 H GLU A 53 -0.922 7.969 8.188 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.025 10.521 9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.240 8.627 10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.958 7.659 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.772 8.248 10.694 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.900 9.335 9.325 1.00 0.00 H new ATOM 762 N VAL A 54 1.317 9.243 6.509 1.00 0.00 N ATOM 763 CA VAL A 54 2.265 9.479 5.427 1.00 0.00 C ATOM 764 C VAL A 54 1.786 10.602 4.513 1.00 0.00 C ATOM 765 O VAL A 54 2.581 11.417 4.044 1.00 0.00 O ATOM 766 CB VAL A 54 2.487 8.207 4.587 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.384 8.504 3.395 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.076 7.099 5.446 1.00 0.00 C ATOM 0 H VAL A 54 0.644 8.499 6.325 1.00 0.00 H new ATOM 0 HA VAL A 54 3.209 9.768 5.890 1.00 0.00 H new ATOM 0 HB VAL A 54 1.522 7.868 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.530 7.594 2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.917 9.264 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.349 8.867 3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.227 6.208 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.032 7.425 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.392 6.869 6.263 1.00 0.00 H new ATOM 778 N LYS A 55 0.482 10.638 4.263 1.00 0.00 N ATOM 779 CA LYS A 55 -0.105 11.662 3.406 1.00 0.00 C ATOM 780 C LYS A 55 -0.134 13.013 4.113 1.00 0.00 C ATOM 781 O LYS A 55 -0.037 14.060 3.474 1.00 0.00 O ATOM 782 CB LYS A 55 -1.523 11.259 2.994 1.00 0.00 C ATOM 783 CG LYS A 55 -2.588 11.675 3.995 1.00 0.00 C ATOM 784 CD LYS A 55 -3.987 11.442 3.449 1.00 0.00 C ATOM 785 CE LYS A 55 -5.046 12.058 4.351 1.00 0.00 C ATOM 786 NZ LYS A 55 -6.364 11.383 4.199 1.00 0.00 N ATOM 0 H LYS A 55 -0.189 9.970 4.642 1.00 0.00 H new ATOM 0 HA LYS A 55 0.515 11.753 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.752 11.705 2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.561 10.177 2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.459 11.113 4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.464 12.729 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.065 11.870 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.168 10.371 3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.722 11.992 5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.151 13.117 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.059 11.832 4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.686 11.468 3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.270 10.377 4.447 1.00 0.00 H new ATOM 800 N GLU A 56 -0.265 12.981 5.436 1.00 0.00 N ATOM 801 CA GLU A 56 -0.305 14.204 6.228 1.00 0.00 C ATOM 802 C GLU A 56 1.090 14.807 6.370 1.00 0.00 C ATOM 803 O GLU A 56 1.241 16.021 6.499 1.00 0.00 O ATOM 804 CB GLU A 56 -0.894 13.922 7.612 1.00 0.00 C ATOM 805 CG GLU A 56 0.112 13.349 8.596 1.00 0.00 C ATOM 806 CD GLU A 56 -0.487 13.107 9.968 1.00 0.00 C ATOM 807 OE1 GLU A 56 -1.367 12.229 10.085 1.00 0.00 O ATOM 808 OE2 GLU A 56 -0.077 13.797 10.925 1.00 0.00 O ATOM 0 H GLU A 56 -0.345 12.122 5.981 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.941 14.922 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.302 14.847 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.726 13.225 7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.504 12.410 8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.956 14.033 8.687 1.00 0.00 H new ATOM 815 N GLN A 57 2.104 13.948 6.347 1.00 0.00 N ATOM 816 CA GLN A 57 3.486 14.395 6.474 1.00 0.00 C ATOM 817 C GLN A 57 4.083 14.713 5.107 1.00 0.00 C ATOM 818 O GLN A 57 4.790 15.709 4.942 1.00 0.00 O ATOM 819 CB GLN A 57 4.327 13.327 7.175 1.00 0.00 C ATOM 820 CG GLN A 57 3.978 13.145 8.643 1.00 0.00 C ATOM 821 CD GLN A 57 4.920 12.192 9.353 1.00 0.00 C ATOM 822 OE1 GLN A 57 5.662 12.589 10.252 1.00 0.00 O ATOM 823 NE2 GLN A 57 4.895 10.927 8.952 1.00 0.00 N ATOM 0 H GLN A 57 1.995 12.939 6.242 1.00 0.00 H new ATOM 0 HA GLN A 57 3.494 15.305 7.074 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.196 12.376 6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.381 13.593 7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.004 14.114 9.142 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.958 12.771 8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.264 10.642 8.203 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.507 10.240 9.393 1.00 0.00 H new ATOM 832 N THR A 58 3.795 13.862 4.128 1.00 0.00 N ATOM 833 CA THR A 58 4.305 14.051 2.776 1.00 0.00 C ATOM 834 C THR A 58 3.418 15.004 1.983 1.00 0.00 C ATOM 835 O THR A 58 3.432 15.002 0.751 1.00 0.00 O ATOM 836 CB THR A 58 4.404 12.712 2.020 1.00 0.00 C ATOM 837 OG1 THR A 58 3.094 12.193 1.768 1.00 0.00 O ATOM 838 CG2 THR A 58 5.212 11.699 2.818 1.00 0.00 C ATOM 0 H THR A 58 3.211 13.034 4.246 1.00 0.00 H new ATOM 0 HA THR A 58 5.302 14.480 2.872 1.00 0.00 H new ATOM 0 HB THR A 58 4.911 12.892 1.072 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.607 12.109 2.614 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.268 10.762 2.265 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.218 12.084 2.982 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.729 11.524 3.779 1.00 0.00 H new ATOM 846 N LYS A 59 2.648 15.819 2.695 1.00 0.00 N ATOM 847 CA LYS A 59 1.755 16.780 2.058 1.00 0.00 C ATOM 848 C LYS A 59 0.943 16.117 0.950 1.00 0.00 C ATOM 849 O LYS A 59 0.562 16.764 -0.025 1.00 0.00 O ATOM 850 CB LYS A 59 2.558 17.951 1.486 1.00 0.00 C ATOM 851 CG LYS A 59 3.204 18.822 2.549 1.00 0.00 C ATOM 852 CD LYS A 59 2.193 19.752 3.199 1.00 0.00 C ATOM 853 CE LYS A 59 2.818 20.550 4.333 1.00 0.00 C ATOM 854 NZ LYS A 59 3.896 21.455 3.847 1.00 0.00 N ATOM 0 H LYS A 59 2.624 15.833 3.715 1.00 0.00 H new ATOM 0 HA LYS A 59 1.066 17.155 2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.334 17.561 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.900 18.567 0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.660 18.190 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.005 19.410 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.791 20.435 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.355 19.170 3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.047 21.138 4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.226 19.866 5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.215 22.065 4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.696 20.888 3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.531 22.045 3.072 1.00 0.00 H new ATOM 868 N GLY A 60 0.681 14.823 1.108 1.00 0.00 N ATOM 869 CA GLY A 60 -0.086 14.096 0.114 1.00 0.00 C ATOM 870 C GLY A 60 0.741 13.731 -1.103 1.00 0.00 C ATOM 871 O GLY A 60 0.213 13.613 -2.209 1.00 0.00 O ATOM 0 H GLY A 60 0.986 14.266 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.487 13.187 0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.938 14.701 -0.197 1.00 0.00 H new ATOM 875 N LYS A 61 2.042 13.555 -0.902 1.00 0.00 N ATOM 876 CA LYS A 61 2.945 13.203 -1.991 1.00 0.00 C ATOM 877 C LYS A 61 3.098 11.689 -2.102 1.00 0.00 C ATOM 878 O LYS A 61 3.058 11.130 -3.198 1.00 0.00 O ATOM 879 CB LYS A 61 4.315 13.850 -1.775 1.00 0.00 C ATOM 880 CG LYS A 61 5.432 13.187 -2.561 1.00 0.00 C ATOM 881 CD LYS A 61 5.166 13.233 -4.057 1.00 0.00 C ATOM 882 CE LYS A 61 6.457 13.151 -4.856 1.00 0.00 C ATOM 883 NZ LYS A 61 6.264 13.581 -6.268 1.00 0.00 N ATOM 0 H LYS A 61 2.495 13.651 0.007 1.00 0.00 H new ATOM 0 HA LYS A 61 2.516 13.577 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.259 14.902 -2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.560 13.816 -0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.377 13.685 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.537 12.150 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.511 12.408 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.641 14.155 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.215 13.777 -4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.832 12.128 -4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.189 13.772 -6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.781 12.827 -6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.686 14.445 -6.292 1.00 0.00 H new ATOM 897 N VAL A 62 3.274 11.031 -0.961 1.00 0.00 N ATOM 898 CA VAL A 62 3.431 9.582 -0.931 1.00 0.00 C ATOM 899 C VAL A 62 2.106 8.892 -0.626 1.00 0.00 C ATOM 900 O VAL A 62 1.562 9.023 0.471 1.00 0.00 O ATOM 901 CB VAL A 62 4.473 9.152 0.118 1.00 0.00 C ATOM 902 CG1 VAL A 62 4.703 7.650 0.059 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.778 9.908 -0.087 1.00 0.00 C ATOM 0 H VAL A 62 3.311 11.478 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 62 3.776 9.281 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 62 4.089 9.397 1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.442 7.365 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.766 7.130 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.066 7.376 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.503 9.592 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.169 9.696 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.598 10.978 0.011 1.00 0.00 H new ATOM 913 N LYS A 63 1.590 8.155 -1.604 1.00 0.00 N ATOM 914 CA LYS A 63 0.329 7.441 -1.442 1.00 0.00 C ATOM 915 C LYS A 63 0.574 5.979 -1.082 1.00 0.00 C ATOM 916 O LYS A 63 1.574 5.388 -1.490 1.00 0.00 O ATOM 917 CB LYS A 63 -0.499 7.529 -2.726 1.00 0.00 C ATOM 918 CG LYS A 63 -0.789 8.954 -3.166 1.00 0.00 C ATOM 919 CD LYS A 63 -1.154 9.019 -4.639 1.00 0.00 C ATOM 920 CE LYS A 63 -2.648 8.828 -4.852 1.00 0.00 C ATOM 921 NZ LYS A 63 -3.129 9.532 -6.074 1.00 0.00 N ATOM 0 H LYS A 63 2.026 8.037 -2.518 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.223 7.910 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.030 7.011 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.443 7.005 -2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.606 9.361 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.084 9.579 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.847 9.981 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.606 8.251 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.870 7.764 -4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.189 9.200 -3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.142 9.747 -5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.598 10.418 -6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.984 8.924 -6.905 1.00 0.00 H new ATOM 935 N LEU A 64 -0.346 5.402 -0.317 1.00 0.00 N ATOM 936 CA LEU A 64 -0.231 4.008 0.097 1.00 0.00 C ATOM 937 C LEU A 64 -1.386 3.179 -0.455 1.00 0.00 C ATOM 938 O LEU A 64 -2.550 3.441 -0.154 1.00 0.00 O ATOM 939 CB LEU A 64 -0.201 3.909 1.624 1.00 0.00 C ATOM 940 CG LEU A 64 1.181 3.974 2.274 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.712 5.399 2.259 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.127 3.437 3.696 1.00 0.00 C ATOM 0 H LEU A 64 -1.179 5.877 0.029 1.00 0.00 H new ATOM 0 HA LEU A 64 0.701 3.611 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.811 4.715 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.674 2.972 1.917 1.00 0.00 H new ATOM 0 HG LEU A 64 1.863 3.349 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.697 5.425 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.789 5.748 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.031 6.047 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.120 3.491 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.431 4.035 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.792 2.400 3.681 1.00 0.00 H new ATOM 954 N ALA A 65 -1.056 2.176 -1.262 1.00 0.00 N ATOM 955 CA ALA A 65 -2.065 1.306 -1.853 1.00 0.00 C ATOM 956 C ALA A 65 -1.892 -0.134 -1.381 1.00 0.00 C ATOM 957 O ALA A 65 -0.852 -0.497 -0.834 1.00 0.00 O ATOM 958 CB ALA A 65 -2.000 1.377 -3.371 1.00 0.00 C ATOM 0 H ALA A 65 -0.097 1.946 -1.522 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.045 1.653 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.759 0.722 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.180 2.402 -3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.014 1.058 -3.708 1.00 0.00 H new ATOM 964 N ALA A 66 -2.919 -0.949 -1.596 1.00 0.00 N ATOM 965 CA ALA A 66 -2.880 -2.350 -1.194 1.00 0.00 C ATOM 966 C ALA A 66 -3.365 -3.258 -2.320 1.00 0.00 C ATOM 967 O ALA A 66 -4.204 -2.865 -3.130 1.00 0.00 O ATOM 968 CB ALA A 66 -3.718 -2.564 0.057 1.00 0.00 C ATOM 0 H ALA A 66 -3.789 -0.663 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.845 -2.610 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.680 -3.614 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.325 -1.951 0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.751 -2.281 -0.144 1.00 0.00 H new ATOM 974 N VAL A 67 -2.830 -4.474 -2.365 1.00 0.00 N ATOM 975 CA VAL A 67 -3.208 -5.438 -3.391 1.00 0.00 C ATOM 976 C VAL A 67 -3.308 -6.845 -2.813 1.00 0.00 C ATOM 977 O VAL A 67 -2.606 -7.188 -1.861 1.00 0.00 O ATOM 978 CB VAL A 67 -2.200 -5.443 -4.555 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.578 -6.498 -5.584 1.00 0.00 C ATOM 980 CG2 VAL A 67 -2.120 -4.066 -5.196 1.00 0.00 C ATOM 0 H VAL A 67 -2.133 -4.815 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.184 -5.133 -3.767 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.215 -5.692 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.854 -6.487 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.579 -7.481 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.571 -6.283 -5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.403 -4.088 -6.017 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.101 -3.785 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.798 -3.337 -4.453 1.00 0.00 H new ATOM 990 N ASP A 68 -4.184 -7.657 -3.394 1.00 0.00 N ATOM 991 CA ASP A 68 -4.375 -9.029 -2.938 1.00 0.00 C ATOM 992 C ASP A 68 -3.668 -10.013 -3.865 1.00 0.00 C ATOM 993 O ASP A 68 -4.072 -10.200 -5.012 1.00 0.00 O ATOM 994 CB ASP A 68 -5.866 -9.361 -2.862 1.00 0.00 C ATOM 995 CG ASP A 68 -6.153 -10.529 -1.939 1.00 0.00 C ATOM 996 OD1 ASP A 68 -5.189 -11.194 -1.506 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.342 -10.777 -1.649 1.00 0.00 O ATOM 0 H ASP A 68 -4.773 -7.389 -4.182 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.940 -9.119 -1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.413 -8.484 -2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.235 -9.592 -3.861 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.610 -10.639 -3.359 1.00 0.00 N ATOM 1003 CA ALA A 69 -1.848 -11.604 -4.141 1.00 0.00 C ATOM 1004 C ALA A 69 -2.720 -12.782 -4.561 1.00 0.00 C ATOM 1005 O ALA A 69 -2.306 -13.621 -5.361 1.00 0.00 O ATOM 1006 CB ALA A 69 -0.645 -12.093 -3.348 1.00 0.00 C ATOM 0 H ALA A 69 -2.262 -10.495 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.497 -11.105 -5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.085 -12.813 -3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.003 -11.247 -3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.985 -12.569 -2.428 1.00 0.00 H new ATOM 1012 N THR A 70 -3.931 -12.840 -4.015 1.00 0.00 N ATOM 1013 CA THR A 70 -4.862 -13.916 -4.332 1.00 0.00 C ATOM 1014 C THR A 70 -5.612 -13.631 -5.628 1.00 0.00 C ATOM 1015 O THR A 70 -6.008 -14.551 -6.343 1.00 0.00 O ATOM 1016 CB THR A 70 -5.882 -14.129 -3.197 1.00 0.00 C ATOM 1017 OG1 THR A 70 -6.784 -13.019 -3.135 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.177 -14.291 -1.859 1.00 0.00 C ATOM 0 H THR A 70 -4.290 -12.154 -3.351 1.00 0.00 H new ATOM 0 HA THR A 70 -4.268 -14.822 -4.452 1.00 0.00 H new ATOM 0 HB THR A 70 -6.442 -15.040 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.430 -13.162 -2.412 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.918 -14.440 -1.073 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.513 -15.154 -1.900 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.595 -13.395 -1.644 1.00 0.00 H new ATOM 1026 N VAL A 71 -5.805 -12.350 -5.925 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.506 -11.943 -7.136 1.00 0.00 C ATOM 1028 C VAL A 71 -5.541 -11.358 -8.160 1.00 0.00 C ATOM 1029 O VAL A 71 -5.781 -11.426 -9.365 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.602 -10.905 -6.829 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -6.981 -9.581 -6.411 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.513 -10.720 -8.033 1.00 0.00 C ATOM 0 H VAL A 71 -5.485 -11.576 -5.343 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.970 -12.839 -7.548 1.00 0.00 H new ATOM 0 HB VAL A 71 -8.205 -11.274 -6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.770 -8.860 -6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.375 -9.730 -5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.352 -9.203 -7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.281 -9.983 -7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.926 -10.374 -8.884 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.985 -11.670 -8.281 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.446 -10.783 -7.672 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.443 -10.185 -8.546 1.00 0.00 C ATOM 1044 C ASN A 72 -2.314 -11.171 -8.832 1.00 0.00 C ATOM 1045 O ASN A 72 -1.549 -11.530 -7.938 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.876 -8.914 -7.911 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.723 -7.692 -8.207 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.366 -6.865 -9.047 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.851 -7.572 -7.518 1.00 0.00 N ATOM 0 H ASN A 72 -4.231 -10.719 -6.677 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.925 -9.928 -9.489 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.805 -9.051 -6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.863 -8.748 -8.278 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.462 -6.770 -7.675 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.107 -8.282 -6.832 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.217 -11.603 -10.085 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.182 -12.548 -10.489 1.00 0.00 C ATOM 1058 C GLN A 73 -0.163 -11.879 -11.406 1.00 0.00 C ATOM 1059 O GLN A 73 1.039 -12.119 -11.295 1.00 0.00 O ATOM 1060 CB GLN A 73 -1.808 -13.752 -11.195 1.00 0.00 C ATOM 1061 CG GLN A 73 -2.825 -14.495 -10.343 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.198 -15.597 -9.513 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.588 -16.523 -10.049 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.344 -15.503 -8.197 1.00 0.00 N ATOM 0 H GLN A 73 -2.842 -11.314 -10.838 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.667 -12.890 -9.591 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.292 -13.414 -12.112 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.017 -14.443 -11.488 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.325 -13.787 -9.682 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.591 -14.923 -10.989 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.857 -14.718 -7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.943 -16.215 -7.587 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.652 -11.039 -12.313 1.00 0.00 N ATOM 1074 CA VAL A 74 0.215 -10.335 -13.250 1.00 0.00 C ATOM 1075 C VAL A 74 1.318 -9.580 -12.516 1.00 0.00 C ATOM 1076 O VAL A 74 2.456 -9.514 -12.981 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.582 -9.343 -14.117 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.328 -8.671 -15.134 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.738 -10.050 -14.809 1.00 0.00 C ATOM 0 H VAL A 74 -1.645 -10.830 -12.419 1.00 0.00 H new ATOM 0 HA VAL A 74 0.663 -11.090 -13.896 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.994 -8.570 -13.468 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.253 -7.974 -15.737 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.118 -8.130 -14.614 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.772 -9.428 -15.781 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.291 -9.334 -15.417 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.350 -10.844 -15.446 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.403 -10.479 -14.060 1.00 0.00 H new ATOM 1089 N LEU A 75 0.973 -9.011 -11.366 1.00 0.00 N ATOM 1090 CA LEU A 75 1.933 -8.260 -10.566 1.00 0.00 C ATOM 1091 C LEU A 75 2.713 -9.187 -9.639 1.00 0.00 C ATOM 1092 O LEU A 75 3.940 -9.117 -9.563 1.00 0.00 O ATOM 1093 CB LEU A 75 1.215 -7.187 -9.746 1.00 0.00 C ATOM 1094 CG LEU A 75 0.126 -6.400 -10.477 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.742 -5.643 -9.484 1.00 0.00 C ATOM 1096 CD2 LEU A 75 0.746 -5.443 -11.485 1.00 0.00 C ATOM 0 H LEU A 75 0.035 -9.056 -10.967 1.00 0.00 H new ATOM 0 HA LEU A 75 2.637 -7.779 -11.245 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.767 -7.664 -8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.959 -6.482 -9.377 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.506 -7.105 -11.017 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.511 -5.089 -10.022 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.214 -6.349 -8.801 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.124 -4.948 -8.916 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.043 -4.891 -11.996 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.401 -4.743 -10.967 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.325 -6.009 -12.215 1.00 0.00 H new ATOM 1108 N ALA A 76 1.994 -10.056 -8.938 1.00 0.00 N ATOM 1109 CA ALA A 76 2.618 -11.000 -8.019 1.00 0.00 C ATOM 1110 C ALA A 76 3.765 -11.745 -8.694 1.00 0.00 C ATOM 1111 O ALA A 76 4.831 -11.929 -8.106 1.00 0.00 O ATOM 1112 CB ALA A 76 1.586 -11.984 -7.491 1.00 0.00 C ATOM 0 H ALA A 76 0.978 -10.126 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 76 3.028 -10.436 -7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.066 -12.683 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.802 -11.441 -6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.149 -12.535 -8.324 1.00 0.00 H new ATOM 1118 N SER A 77 3.539 -12.174 -9.932 1.00 0.00 N ATOM 1119 CA SER A 77 4.552 -12.903 -10.686 1.00 0.00 C ATOM 1120 C SER A 77 5.640 -11.959 -11.188 1.00 0.00 C ATOM 1121 O SER A 77 6.828 -12.276 -11.129 1.00 0.00 O ATOM 1122 CB SER A 77 3.911 -13.636 -11.866 1.00 0.00 C ATOM 1123 OG SER A 77 3.547 -14.958 -11.509 1.00 0.00 O ATOM 0 H SER A 77 2.663 -12.029 -10.434 1.00 0.00 H new ATOM 0 HA SER A 77 5.010 -13.634 -10.019 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.029 -13.091 -12.201 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.607 -13.661 -12.704 1.00 0.00 H new ATOM 0 HG SER A 77 3.138 -15.404 -12.280 1.00 0.00 H new ATOM 1129 N ARG A 78 5.225 -10.798 -11.683 1.00 0.00 N ATOM 1130 CA ARG A 78 6.163 -9.808 -12.198 1.00 0.00 C ATOM 1131 C ARG A 78 7.365 -9.663 -11.269 1.00 0.00 C ATOM 1132 O ARG A 78 8.513 -9.738 -11.707 1.00 0.00 O ATOM 1133 CB ARG A 78 5.468 -8.455 -12.365 1.00 0.00 C ATOM 1134 CG ARG A 78 6.336 -7.403 -13.037 1.00 0.00 C ATOM 1135 CD ARG A 78 5.529 -6.169 -13.407 1.00 0.00 C ATOM 1136 NE ARG A 78 6.136 -5.428 -14.510 1.00 0.00 N ATOM 1137 CZ ARG A 78 5.986 -5.759 -15.788 1.00 0.00 C ATOM 1138 NH1 ARG A 78 5.253 -6.812 -16.122 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.570 -5.036 -16.734 1.00 0.00 N ATOM 0 H ARG A 78 4.245 -10.520 -11.738 1.00 0.00 H new ATOM 0 HA ARG A 78 6.516 -10.150 -13.171 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.559 -8.593 -12.951 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.162 -8.090 -11.385 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.150 -7.120 -12.369 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.791 -7.824 -13.934 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.518 -6.467 -13.684 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.443 -5.518 -12.537 1.00 0.00 H new ATOM 0 HE ARG A 78 6.706 -4.612 -14.287 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.802 -7.370 -15.397 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.140 -7.064 -17.104 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.135 -4.225 -16.481 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.454 -5.291 -17.715 1.00 0.00 H new ATOM 1153 N TYR A 79 7.092 -9.455 -9.986 1.00 0.00 N ATOM 1154 CA TYR A 79 8.151 -9.297 -8.996 1.00 0.00 C ATOM 1155 C TYR A 79 8.288 -10.552 -8.140 1.00 0.00 C ATOM 1156 O TYR A 79 9.339 -10.805 -7.551 1.00 0.00 O ATOM 1157 CB TYR A 79 7.868 -8.087 -8.104 1.00 0.00 C ATOM 1158 CG TYR A 79 7.314 -6.897 -8.856 1.00 0.00 C ATOM 1159 CD1 TYR A 79 8.161 -5.990 -9.481 1.00 0.00 C ATOM 1160 CD2 TYR A 79 5.944 -6.680 -8.940 1.00 0.00 C ATOM 1161 CE1 TYR A 79 7.660 -4.902 -10.168 1.00 0.00 C ATOM 1162 CE2 TYR A 79 5.434 -5.595 -9.627 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.296 -4.709 -10.239 1.00 0.00 C ATOM 1164 OH TYR A 79 5.791 -3.626 -10.922 1.00 0.00 O ATOM 0 H TYR A 79 6.147 -9.392 -9.607 1.00 0.00 H new ATOM 0 HA TYR A 79 9.089 -9.137 -9.528 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.161 -8.377 -7.327 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.790 -7.792 -7.602 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.229 -6.139 -9.429 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.267 -7.371 -8.460 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.332 -4.206 -10.647 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.367 -5.442 -9.684 1.00 0.00 H new ATOM 0 HH TYR A 79 4.943 -3.349 -10.516 1.00 0.00 H new ATOM 1174 N GLY A 80 7.217 -11.337 -8.076 1.00 0.00 N ATOM 1175 CA GLY A 80 7.237 -12.558 -7.291 1.00 0.00 C ATOM 1176 C GLY A 80 6.814 -12.329 -5.853 1.00 0.00 C ATOM 1177 O GLY A 80 7.657 -12.192 -4.966 1.00 0.00 O ATOM 0 H GLY A 80 6.336 -11.149 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.574 -13.292 -7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.241 -12.981 -7.308 1.00 0.00 H new ATOM 1181 N ILE A 81 5.507 -12.286 -5.622 1.00 0.00 N ATOM 1182 CA ILE A 81 4.974 -12.072 -4.282 1.00 0.00 C ATOM 1183 C ILE A 81 4.332 -13.342 -3.736 1.00 0.00 C ATOM 1184 O ILE A 81 3.194 -13.668 -4.072 1.00 0.00 O ATOM 1185 CB ILE A 81 3.934 -10.936 -4.265 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.499 -9.687 -4.946 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.516 -10.623 -2.836 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.677 -9.082 -4.216 1.00 0.00 C ATOM 0 H ILE A 81 4.797 -12.397 -6.346 1.00 0.00 H new ATOM 0 HA ILE A 81 5.816 -11.793 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 81 3.053 -11.261 -4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.803 -9.943 -5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.710 -8.939 -5.028 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.781 -9.818 -2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.078 -11.512 -2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.389 -10.314 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.026 -8.201 -4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.373 -8.795 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.483 -9.813 -4.157 1.00 0.00 H new ATOM 1200 N ARG A 82 5.070 -14.055 -2.891 1.00 0.00 N ATOM 1201 CA ARG A 82 4.572 -15.290 -2.296 1.00 0.00 C ATOM 1202 C ARG A 82 4.620 -15.218 -0.773 1.00 0.00 C ATOM 1203 O ARG A 82 3.935 -15.972 -0.084 1.00 0.00 O ATOM 1204 CB ARG A 82 5.393 -16.484 -2.787 1.00 0.00 C ATOM 1205 CG ARG A 82 5.226 -16.769 -4.271 1.00 0.00 C ATOM 1206 CD ARG A 82 5.591 -18.207 -4.606 1.00 0.00 C ATOM 1207 NE ARG A 82 7.036 -18.420 -4.602 1.00 0.00 N ATOM 1208 CZ ARG A 82 7.613 -19.554 -4.983 1.00 0.00 C ATOM 1209 NH1 ARG A 82 6.871 -20.572 -5.397 1.00 0.00 N ATOM 1210 NH2 ARG A 82 8.934 -19.671 -4.952 1.00 0.00 N ATOM 0 H ARG A 82 6.014 -13.799 -2.603 1.00 0.00 H new ATOM 0 HA ARG A 82 3.534 -15.420 -2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.447 -16.300 -2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.105 -17.370 -2.221 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.195 -16.576 -4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.855 -16.089 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.124 -18.877 -3.884 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.189 -18.464 -5.586 1.00 0.00 H new ATOM 0 HE ARG A 82 7.635 -17.656 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.855 -20.485 -5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.316 -21.442 -5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.508 -18.890 -4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.376 -20.542 -5.245 1.00 0.00 H new ATOM 1224 N GLY A 83 5.435 -14.305 -0.254 1.00 0.00 N ATOM 1225 CA GLY A 83 5.558 -14.152 1.184 1.00 0.00 C ATOM 1226 C GLY A 83 4.949 -12.856 1.683 1.00 0.00 C ATOM 1227 O GLY A 83 5.580 -11.800 1.618 1.00 0.00 O ATOM 0 H GLY A 83 6.012 -13.669 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.072 -14.993 1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.612 -14.185 1.461 1.00 0.00 H new ATOM 1231 N PHE A 84 3.720 -12.935 2.181 1.00 0.00 N ATOM 1232 CA PHE A 84 3.025 -11.758 2.691 1.00 0.00 C ATOM 1233 C PHE A 84 3.174 -11.652 4.206 1.00 0.00 C ATOM 1234 O PHE A 84 3.369 -12.646 4.907 1.00 0.00 O ATOM 1235 CB PHE A 84 1.542 -11.813 2.316 1.00 0.00 C ATOM 1236 CG PHE A 84 1.275 -12.556 1.038 1.00 0.00 C ATOM 1237 CD1 PHE A 84 2.218 -12.579 0.024 1.00 0.00 C ATOM 1238 CD2 PHE A 84 0.080 -13.232 0.852 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.974 -13.261 -1.153 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.170 -13.917 -0.323 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.779 -13.932 -1.326 1.00 0.00 C ATOM 0 H PHE A 84 3.184 -13.801 2.243 1.00 0.00 H new ATOM 0 HA PHE A 84 3.476 -10.876 2.237 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.988 -12.288 3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.161 -10.796 2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.155 -12.058 0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.665 -13.224 1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.717 -13.269 -1.937 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.106 -14.439 -0.456 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.587 -14.467 -2.244 1.00 0.00 H new ATOM 1251 N PRO A 85 3.081 -10.419 4.724 1.00 0.00 N ATOM 1252 CA PRO A 85 2.850 -9.229 3.900 1.00 0.00 C ATOM 1253 C PRO A 85 4.056 -8.881 3.034 1.00 0.00 C ATOM 1254 O PRO A 85 5.174 -9.325 3.299 1.00 0.00 O ATOM 1255 CB PRO A 85 2.596 -8.127 4.931 1.00 0.00 C ATOM 1256 CG PRO A 85 3.296 -8.590 6.161 1.00 0.00 C ATOM 1257 CD PRO A 85 3.195 -10.090 6.155 1.00 0.00 C ATOM 0 HA PRO A 85 2.028 -9.372 3.198 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.987 -7.168 4.590 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.529 -7.991 5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.338 -8.269 6.161 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.833 -8.171 7.055 1.00 0.00 H new ATOM 0 HD2 PRO A 85 4.073 -10.554 6.605 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.328 -10.437 6.717 1.00 0.00 H new ATOM 1265 N THR A 86 3.823 -8.082 1.996 1.00 0.00 N ATOM 1266 CA THR A 86 4.890 -7.675 1.091 1.00 0.00 C ATOM 1267 C THR A 86 4.775 -6.197 0.734 1.00 0.00 C ATOM 1268 O THR A 86 3.833 -5.785 0.057 1.00 0.00 O ATOM 1269 CB THR A 86 4.875 -8.507 -0.205 1.00 0.00 C ATOM 1270 OG1 THR A 86 4.390 -9.827 0.065 1.00 0.00 O ATOM 1271 CG2 THR A 86 6.268 -8.588 -0.813 1.00 0.00 C ATOM 0 H THR A 86 2.905 -7.705 1.762 1.00 0.00 H new ATOM 0 HA THR A 86 5.831 -7.847 1.614 1.00 0.00 H new ATOM 0 HB THR A 86 4.213 -8.016 -0.918 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.025 -10.297 0.645 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.232 -9.181 -1.727 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.623 -7.584 -1.045 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.948 -9.058 -0.103 1.00 0.00 H new ATOM 1279 N ILE A 87 5.738 -5.406 1.194 1.00 0.00 N ATOM 1280 CA ILE A 87 5.744 -3.974 0.921 1.00 0.00 C ATOM 1281 C ILE A 87 6.805 -3.616 -0.113 1.00 0.00 C ATOM 1282 O ILE A 87 7.984 -3.930 0.055 1.00 0.00 O ATOM 1283 CB ILE A 87 5.996 -3.158 2.203 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.919 -3.460 3.247 1.00 0.00 C ATOM 1285 CG2 ILE A 87 6.031 -1.670 1.885 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.401 -3.313 4.673 1.00 0.00 C ATOM 0 H ILE A 87 6.524 -5.732 1.757 1.00 0.00 H new ATOM 0 HA ILE A 87 4.759 -3.723 0.528 1.00 0.00 H new ATOM 0 HB ILE A 87 6.964 -3.445 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.073 -2.792 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.555 -4.477 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.210 -1.106 2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.831 -1.469 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.077 -1.368 1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.585 -3.542 5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.228 -4.001 4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.738 -2.290 4.840 1.00 0.00 H new ATOM 1298 N LYS A 88 6.380 -2.954 -1.184 1.00 0.00 N ATOM 1299 CA LYS A 88 7.294 -2.549 -2.246 1.00 0.00 C ATOM 1300 C LYS A 88 7.015 -1.115 -2.686 1.00 0.00 C ATOM 1301 O LYS A 88 5.860 -0.706 -2.806 1.00 0.00 O ATOM 1302 CB LYS A 88 7.168 -3.494 -3.443 1.00 0.00 C ATOM 1303 CG LYS A 88 7.345 -4.959 -3.083 1.00 0.00 C ATOM 1304 CD LYS A 88 8.801 -5.384 -3.177 1.00 0.00 C ATOM 1305 CE LYS A 88 8.930 -6.876 -3.440 1.00 0.00 C ATOM 1306 NZ LYS A 88 10.320 -7.255 -3.817 1.00 0.00 N ATOM 0 H LYS A 88 5.408 -2.686 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 88 8.310 -2.600 -1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.189 -3.357 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.912 -3.220 -4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.979 -5.133 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.742 -5.574 -3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.292 -4.829 -3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.316 -5.131 -2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.632 -7.429 -2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.246 -7.165 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.330 -8.234 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.663 -6.617 -4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.939 -7.178 -2.985 1.00 0.00 H new ATOM 1320 N ILE A 89 8.080 -0.357 -2.925 1.00 0.00 N ATOM 1321 CA ILE A 89 7.949 1.030 -3.354 1.00 0.00 C ATOM 1322 C ILE A 89 8.221 1.171 -4.848 1.00 0.00 C ATOM 1323 O ILE A 89 9.151 0.566 -5.381 1.00 0.00 O ATOM 1324 CB ILE A 89 8.910 1.951 -2.579 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.588 1.919 -1.084 1.00 0.00 C ATOM 1326 CG2 ILE A 89 8.827 3.373 -3.114 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.264 0.786 -0.344 1.00 0.00 C ATOM 0 H ILE A 89 9.043 -0.680 -2.829 1.00 0.00 H new ATOM 0 HA ILE A 89 6.922 1.330 -3.144 1.00 0.00 H new ATOM 0 HB ILE A 89 9.929 1.589 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 89 8.889 2.866 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.509 1.834 -0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.512 4.012 -2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.101 3.381 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.809 3.746 -3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.990 0.826 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.944 -0.167 -0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.345 0.881 -0.442 1.00 0.00 H new ATOM 1339 N PHE A 90 7.403 1.976 -5.518 1.00 0.00 N ATOM 1340 CA PHE A 90 7.555 2.199 -6.952 1.00 0.00 C ATOM 1341 C PHE A 90 7.659 3.689 -7.263 1.00 0.00 C ATOM 1342 O PHE A 90 6.673 4.421 -7.176 1.00 0.00 O ATOM 1343 CB PHE A 90 6.376 1.588 -7.712 1.00 0.00 C ATOM 1344 CG PHE A 90 6.300 0.092 -7.599 1.00 0.00 C ATOM 1345 CD1 PHE A 90 6.989 -0.719 -8.487 1.00 0.00 C ATOM 1346 CD2 PHE A 90 5.541 -0.503 -6.605 1.00 0.00 C ATOM 1347 CE1 PHE A 90 6.920 -2.096 -8.385 1.00 0.00 C ATOM 1348 CE2 PHE A 90 5.468 -1.880 -6.498 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.160 -2.677 -7.389 1.00 0.00 C ATOM 0 H PHE A 90 6.628 2.485 -5.092 1.00 0.00 H new ATOM 0 HA PHE A 90 8.476 1.714 -7.274 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.449 2.020 -7.336 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.452 1.861 -8.764 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.586 -0.270 -9.267 1.00 0.00 H new ATOM 0 HD2 PHE A 90 5.000 0.116 -5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.460 -2.717 -9.084 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.871 -2.331 -5.719 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.107 -3.753 -7.307 1.00 0.00 H new ATOM 1359 N GLN A 91 8.859 4.130 -7.624 1.00 0.00 N ATOM 1360 CA GLN A 91 9.092 5.533 -7.947 1.00 0.00 C ATOM 1361 C GLN A 91 8.960 5.775 -9.447 1.00 0.00 C ATOM 1362 O GLN A 91 9.571 5.077 -10.256 1.00 0.00 O ATOM 1363 CB GLN A 91 10.479 5.965 -7.468 1.00 0.00 C ATOM 1364 CG GLN A 91 10.574 6.143 -5.962 1.00 0.00 C ATOM 1365 CD GLN A 91 10.947 4.861 -5.245 1.00 0.00 C ATOM 1366 OE1 GLN A 91 10.730 3.763 -5.758 1.00 0.00 O ATOM 1367 NE2 GLN A 91 11.512 4.993 -4.050 1.00 0.00 N ATOM 0 H GLN A 91 9.685 3.537 -7.700 1.00 0.00 H new ATOM 0 HA GLN A 91 8.337 6.129 -7.434 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.211 5.222 -7.785 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.746 6.903 -7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.315 6.910 -5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.618 6.503 -5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.674 5.922 -3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.784 4.165 -3.520 1.00 0.00 H new ATOM 1376 N LYS A 92 8.158 6.770 -9.812 1.00 0.00 N ATOM 1377 CA LYS A 92 7.945 7.106 -11.215 1.00 0.00 C ATOM 1378 C LYS A 92 9.256 7.513 -11.881 1.00 0.00 C ATOM 1379 O LYS A 92 9.860 8.522 -11.520 1.00 0.00 O ATOM 1380 CB LYS A 92 6.924 8.239 -11.340 1.00 0.00 C ATOM 1381 CG LYS A 92 6.076 8.158 -12.597 1.00 0.00 C ATOM 1382 CD LYS A 92 6.917 8.341 -13.850 1.00 0.00 C ATOM 1383 CE LYS A 92 7.215 9.810 -14.111 1.00 0.00 C ATOM 1384 NZ LYS A 92 8.479 10.244 -13.455 1.00 0.00 N ATOM 0 H LYS A 92 7.645 7.358 -9.155 1.00 0.00 H new ATOM 0 HA LYS A 92 7.560 6.221 -11.721 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.269 8.224 -10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.450 9.194 -11.328 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.571 7.193 -12.635 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.300 8.923 -12.564 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.853 7.792 -13.745 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.393 7.917 -14.707 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.286 9.981 -15.185 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.388 10.419 -13.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.889 11.041 -13.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.279 10.542 -12.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.154 9.453 -13.444 1.00 0.00 H new ATOM 1398 N GLY A 93 9.689 6.722 -12.858 1.00 0.00 N ATOM 1399 CA GLY A 93 10.924 7.017 -13.560 1.00 0.00 C ATOM 1400 C GLY A 93 12.079 6.157 -13.088 1.00 0.00 C ATOM 1401 O GLY A 93 12.905 5.722 -13.890 1.00 0.00 O ATOM 0 H GLY A 93 9.206 5.882 -13.176 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.776 6.866 -14.629 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.176 8.068 -13.419 1.00 0.00 H new ATOM 1405 N GLU A 94 12.139 5.913 -11.782 1.00 0.00 N ATOM 1406 CA GLU A 94 13.204 5.101 -11.206 1.00 0.00 C ATOM 1407 C GLU A 94 12.750 3.655 -11.027 1.00 0.00 C ATOM 1408 O GLU A 94 11.596 3.318 -11.292 1.00 0.00 O ATOM 1409 CB GLU A 94 13.644 5.679 -9.859 1.00 0.00 C ATOM 1410 CG GLU A 94 14.430 6.974 -9.980 1.00 0.00 C ATOM 1411 CD GLU A 94 15.913 6.738 -10.191 1.00 0.00 C ATOM 1412 OE1 GLU A 94 16.400 5.653 -9.812 1.00 0.00 O ATOM 1413 OE2 GLU A 94 16.586 7.639 -10.734 1.00 0.00 O ATOM 0 H GLU A 94 11.463 6.266 -11.104 1.00 0.00 H new ATOM 0 HA GLU A 94 14.049 5.116 -11.894 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.762 5.855 -9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.254 4.941 -9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.037 7.557 -10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.285 7.568 -9.078 1.00 0.00 H new ATOM 1420 N SER A 95 13.666 2.805 -10.576 1.00 0.00 N ATOM 1421 CA SER A 95 13.362 1.394 -10.366 1.00 0.00 C ATOM 1422 C SER A 95 12.754 1.169 -8.985 1.00 0.00 C ATOM 1423 O SER A 95 12.964 1.945 -8.052 1.00 0.00 O ATOM 1424 CB SER A 95 14.628 0.549 -10.522 1.00 0.00 C ATOM 1425 OG SER A 95 14.886 0.264 -11.886 1.00 0.00 O ATOM 0 H SER A 95 14.625 3.068 -10.349 1.00 0.00 H new ATOM 0 HA SER A 95 12.635 1.089 -11.118 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.478 1.078 -10.091 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.518 -0.383 -9.967 1.00 0.00 H new ATOM 0 HG SER A 95 15.701 -0.275 -11.959 1.00 0.00 H new ATOM 1431 N PRO A 96 11.980 0.082 -8.850 1.00 0.00 N ATOM 1432 CA PRO A 96 11.325 -0.272 -7.587 1.00 0.00 C ATOM 1433 C PRO A 96 12.321 -0.728 -6.526 1.00 0.00 C ATOM 1434 O PRO A 96 13.515 -0.856 -6.795 1.00 0.00 O ATOM 1435 CB PRO A 96 10.397 -1.424 -7.980 1.00 0.00 C ATOM 1436 CG PRO A 96 11.028 -2.024 -9.189 1.00 0.00 C ATOM 1437 CD PRO A 96 11.686 -0.886 -9.920 1.00 0.00 C ATOM 0 HA PRO A 96 10.807 0.578 -7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.310 -2.154 -7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.390 -1.066 -8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.758 -2.784 -8.912 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.283 -2.512 -9.817 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.593 -1.208 -10.431 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.027 -0.460 -10.677 1.00 0.00 H new ATOM 1445 N VAL A 97 11.821 -0.972 -5.318 1.00 0.00 N ATOM 1446 CA VAL A 97 12.666 -1.415 -4.216 1.00 0.00 C ATOM 1447 C VAL A 97 11.925 -2.397 -3.315 1.00 0.00 C ATOM 1448 O VAL A 97 10.708 -2.549 -3.416 1.00 0.00 O ATOM 1449 CB VAL A 97 13.154 -0.225 -3.369 1.00 0.00 C ATOM 1450 CG1 VAL A 97 11.994 0.398 -2.607 1.00 0.00 C ATOM 1451 CG2 VAL A 97 14.254 -0.666 -2.415 1.00 0.00 C ATOM 0 H VAL A 97 10.835 -0.870 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 97 13.528 -1.913 -4.659 1.00 0.00 H new ATOM 0 HB VAL A 97 13.566 0.531 -4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.357 1.237 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.243 0.751 -3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.550 -0.347 -1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.587 0.187 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.870 -1.440 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.094 -1.062 -2.986 1.00 0.00 H new ATOM 1461 N ASP A 98 12.667 -3.060 -2.436 1.00 0.00 N ATOM 1462 CA ASP A 98 12.081 -4.026 -1.515 1.00 0.00 C ATOM 1463 C ASP A 98 12.111 -3.501 -0.083 1.00 0.00 C ATOM 1464 O ASP A 98 13.166 -3.460 0.551 1.00 0.00 O ATOM 1465 CB ASP A 98 12.826 -5.360 -1.598 1.00 0.00 C ATOM 1466 CG ASP A 98 14.328 -5.191 -1.486 1.00 0.00 C ATOM 1467 OD1 ASP A 98 14.914 -4.508 -2.351 1.00 0.00 O ATOM 1468 OD2 ASP A 98 14.918 -5.743 -0.533 1.00 0.00 O ATOM 0 H ASP A 98 13.676 -2.946 -2.342 1.00 0.00 H new ATOM 0 HA ASP A 98 11.041 -4.181 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.477 -6.018 -0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.587 -5.848 -2.543 1.00 0.00 H new ATOM 1473 N TYR A 99 10.949 -3.099 0.420 1.00 0.00 N ATOM 1474 CA TYR A 99 10.844 -2.573 1.775 1.00 0.00 C ATOM 1475 C TYR A 99 11.161 -3.653 2.805 1.00 0.00 C ATOM 1476 O TYR A 99 10.616 -4.756 2.753 1.00 0.00 O ATOM 1477 CB TYR A 99 9.441 -2.015 2.020 1.00 0.00 C ATOM 1478 CG TYR A 99 9.252 -1.437 3.405 1.00 0.00 C ATOM 1479 CD1 TYR A 99 8.931 -2.252 4.482 1.00 0.00 C ATOM 1480 CD2 TYR A 99 9.396 -0.074 3.635 1.00 0.00 C ATOM 1481 CE1 TYR A 99 8.757 -1.728 5.748 1.00 0.00 C ATOM 1482 CE2 TYR A 99 9.226 0.459 4.897 1.00 0.00 C ATOM 1483 CZ TYR A 99 8.906 -0.371 5.951 1.00 0.00 C ATOM 1484 OH TYR A 99 8.735 0.155 7.211 1.00 0.00 O ATOM 0 H TYR A 99 10.067 -3.128 -0.091 1.00 0.00 H new ATOM 0 HA TYR A 99 11.572 -1.769 1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.233 -1.241 1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.711 -2.809 1.864 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.815 -3.315 4.327 1.00 0.00 H new ATOM 0 HD2 TYR A 99 9.645 0.580 2.812 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.506 -2.376 6.574 1.00 0.00 H new ATOM 0 HE2 TYR A 99 9.343 1.520 5.058 1.00 0.00 H new ATOM 0 HH TYR A 99 9.301 0.948 7.314 1.00 0.00 H new ATOM 1544 N THR A 104 4.860 -2.111 11.232 1.00 0.00 N ATOM 1545 CA THR A 104 4.016 -1.191 11.984 1.00 0.00 C ATOM 1546 C THR A 104 4.012 0.195 11.350 1.00 0.00 C ATOM 1547 O THR A 104 5.055 0.703 10.939 1.00 0.00 O ATOM 1548 CB THR A 104 4.482 -1.072 13.448 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.849 -0.651 13.495 1.00 0.00 O ATOM 1550 CG2 THR A 104 4.330 -2.401 14.173 1.00 0.00 C ATOM 0 HA THR A 104 3.006 -1.600 11.963 1.00 0.00 H new ATOM 0 HB THR A 104 3.857 -0.330 13.946 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.316 -0.965 12.693 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.665 -2.293 15.205 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.283 -2.704 14.161 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.933 -3.159 13.673 1.00 0.00 H new ATOM 1558 N ARG A 105 2.832 0.803 11.275 1.00 0.00 N ATOM 1559 CA ARG A 105 2.693 2.131 10.691 1.00 0.00 C ATOM 1560 C ARG A 105 3.900 3.002 11.026 1.00 0.00 C ATOM 1561 O ARG A 105 4.354 3.795 10.201 1.00 0.00 O ATOM 1562 CB ARG A 105 1.412 2.800 11.193 1.00 0.00 C ATOM 1563 CG ARG A 105 1.521 3.336 12.611 1.00 0.00 C ATOM 1564 CD ARG A 105 0.168 3.354 13.305 1.00 0.00 C ATOM 1565 NE ARG A 105 0.256 3.886 14.662 1.00 0.00 N ATOM 1566 CZ ARG A 105 0.500 5.163 14.936 1.00 0.00 C ATOM 1567 NH1 ARG A 105 0.679 6.033 13.952 1.00 0.00 N ATOM 1568 NH2 ARG A 105 0.565 5.572 16.197 1.00 0.00 N ATOM 0 H ARG A 105 1.959 0.397 11.611 1.00 0.00 H new ATOM 0 HA ARG A 105 2.637 2.020 9.608 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.153 3.620 10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.594 2.081 11.147 1.00 0.00 H new ATOM 0 HG2 ARG A 105 2.216 2.720 13.182 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.933 4.345 12.589 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.530 3.957 12.724 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.236 2.342 13.338 1.00 0.00 H new ATOM 0 HE ARG A 105 0.123 3.242 15.442 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.630 5.723 12.982 1.00 0.00 H new ATOM 0 HH12 ARG A 105 0.866 7.013 14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.428 4.906 16.957 1.00 0.00 H new ATOM 0 HH22 ARG A 105 0.752 6.553 16.406 1.00 0.00 H new ATOM 1582 N SER A 106 4.414 2.849 12.242 1.00 0.00 N ATOM 1583 CA SER A 106 5.566 3.625 12.688 1.00 0.00 C ATOM 1584 C SER A 106 6.691 3.566 11.659 1.00 0.00 C ATOM 1585 O SER A 106 7.132 4.595 11.146 1.00 0.00 O ATOM 1586 CB SER A 106 6.065 3.105 14.037 1.00 0.00 C ATOM 1587 OG SER A 106 5.025 3.103 15.000 1.00 0.00 O ATOM 0 H SER A 106 4.051 2.195 12.936 1.00 0.00 H new ATOM 0 HA SER A 106 5.254 4.663 12.800 1.00 0.00 H new ATOM 0 HB2 SER A 106 6.457 2.095 13.918 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.888 3.727 14.388 1.00 0.00 H new ATOM 0 HG SER A 106 5.369 2.765 15.853 1.00 0.00 H new ATOM 1593 N ASP A 107 7.151 2.356 11.364 1.00 0.00 N ATOM 1594 CA ASP A 107 8.225 2.161 10.396 1.00 0.00 C ATOM 1595 C ASP A 107 7.758 2.517 8.988 1.00 0.00 C ATOM 1596 O ASP A 107 8.377 3.335 8.306 1.00 0.00 O ATOM 1597 CB ASP A 107 8.717 0.714 10.433 1.00 0.00 C ATOM 1598 CG ASP A 107 9.437 0.380 11.724 1.00 0.00 C ATOM 1599 OD1 ASP A 107 10.518 0.957 11.967 1.00 0.00 O ATOM 1600 OD2 ASP A 107 8.921 -0.459 12.492 1.00 0.00 O ATOM 0 H ASP A 107 6.798 1.495 11.781 1.00 0.00 H new ATOM 0 HA ASP A 107 9.048 2.823 10.665 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.868 0.041 10.309 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.387 0.540 9.591 1.00 0.00 H new ATOM 1605 N ILE A 108 6.664 1.897 8.558 1.00 0.00 N ATOM 1606 CA ILE A 108 6.115 2.149 7.232 1.00 0.00 C ATOM 1607 C ILE A 108 6.108 3.641 6.914 1.00 0.00 C ATOM 1608 O ILE A 108 6.413 4.049 5.793 1.00 0.00 O ATOM 1609 CB ILE A 108 4.682 1.601 7.102 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.662 0.095 7.372 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.121 1.905 5.721 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.360 -0.396 7.965 1.00 0.00 C ATOM 0 H ILE A 108 6.141 1.217 9.109 1.00 0.00 H new ATOM 0 HA ILE A 108 6.759 1.631 6.521 1.00 0.00 H new ATOM 0 HB ILE A 108 4.053 2.092 7.844 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.850 -0.436 6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.478 -0.155 8.050 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.107 1.511 5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.104 2.984 5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.749 1.438 4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.418 -1.472 8.130 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.180 0.107 8.915 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.542 -0.178 7.278 1.00 0.00 H new ATOM 1624 N VAL A 109 5.759 4.450 7.908 1.00 0.00 N ATOM 1625 CA VAL A 109 5.714 5.898 7.736 1.00 0.00 C ATOM 1626 C VAL A 109 7.119 6.486 7.669 1.00 0.00 C ATOM 1627 O VAL A 109 7.427 7.285 6.785 1.00 0.00 O ATOM 1628 CB VAL A 109 4.939 6.576 8.882 1.00 0.00 C ATOM 1629 CG1 VAL A 109 5.014 8.089 8.754 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.493 6.104 8.898 1.00 0.00 C ATOM 0 H VAL A 109 5.503 4.128 8.841 1.00 0.00 H new ATOM 0 HA VAL A 109 5.197 6.090 6.796 1.00 0.00 H new ATOM 0 HB VAL A 109 5.400 6.293 9.828 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.461 8.551 9.572 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.056 8.406 8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.579 8.396 7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.960 6.593 9.714 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.017 6.357 7.950 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.464 5.024 9.042 1.00 0.00 H new ATOM 1640 N SER A 110 7.968 6.085 8.610 1.00 0.00 N ATOM 1641 CA SER A 110 9.340 6.576 8.660 1.00 0.00 C ATOM 1642 C SER A 110 9.977 6.552 7.274 1.00 0.00 C ATOM 1643 O SER A 110 10.597 7.525 6.847 1.00 0.00 O ATOM 1644 CB SER A 110 10.171 5.732 9.630 1.00 0.00 C ATOM 1645 OG SER A 110 11.548 6.047 9.529 1.00 0.00 O ATOM 0 H SER A 110 7.730 5.422 9.348 1.00 0.00 H new ATOM 0 HA SER A 110 9.318 7.607 9.013 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.829 5.904 10.651 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.020 4.674 9.417 1.00 0.00 H new ATOM 0 HG SER A 110 12.057 5.496 10.160 1.00 0.00 H new ATOM 1651 N ARG A 111 9.819 5.431 6.577 1.00 0.00 N ATOM 1652 CA ARG A 111 10.379 5.279 5.239 1.00 0.00 C ATOM 1653 C ARG A 111 9.756 6.281 4.272 1.00 0.00 C ATOM 1654 O ARG A 111 10.455 7.103 3.679 1.00 0.00 O ATOM 1655 CB ARG A 111 10.154 3.854 4.729 1.00 0.00 C ATOM 1656 CG ARG A 111 11.006 3.498 3.521 1.00 0.00 C ATOM 1657 CD ARG A 111 12.473 3.358 3.895 1.00 0.00 C ATOM 1658 NE ARG A 111 12.815 1.986 4.262 1.00 0.00 N ATOM 1659 CZ ARG A 111 13.001 1.013 3.377 1.00 0.00 C ATOM 1660 NH1 ARG A 111 12.879 1.260 2.080 1.00 0.00 N ATOM 1661 NH2 ARG A 111 13.310 -0.209 3.789 1.00 0.00 N ATOM 0 H ARG A 111 9.308 4.616 6.916 1.00 0.00 H new ATOM 0 HA ARG A 111 11.450 5.473 5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.368 3.151 5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.102 3.732 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.650 2.564 3.086 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.896 4.268 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 111 13.093 3.674 3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.700 4.024 4.728 1.00 0.00 H new ATOM 0 HE ARG A 111 12.917 1.763 5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 111 12.642 2.199 1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 111 13.022 0.511 1.403 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.405 -0.402 4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.453 -0.956 3.109 1.00 0.00 H new ATOM 1675 N ALA A 112 8.439 6.206 4.116 1.00 0.00 N ATOM 1676 CA ALA A 112 7.722 7.107 3.222 1.00 0.00 C ATOM 1677 C ALA A 112 8.325 8.507 3.255 1.00 0.00 C ATOM 1678 O ALA A 112 8.399 9.186 2.230 1.00 0.00 O ATOM 1679 CB ALA A 112 6.247 7.156 3.594 1.00 0.00 C ATOM 0 H ALA A 112 7.846 5.530 4.597 1.00 0.00 H new ATOM 0 HA ALA A 112 7.816 6.723 2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.724 7.833 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.818 6.157 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.142 7.513 4.618 1.00 0.00 H new ATOM 1685 N LEU A 113 8.756 8.933 4.437 1.00 0.00 N ATOM 1686 CA LEU A 113 9.353 10.254 4.603 1.00 0.00 C ATOM 1687 C LEU A 113 10.728 10.316 3.946 1.00 0.00 C ATOM 1688 O LEU A 113 11.065 11.297 3.282 1.00 0.00 O ATOM 1689 CB LEU A 113 9.469 10.599 6.089 1.00 0.00 C ATOM 1690 CG LEU A 113 8.157 10.907 6.811 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.377 10.972 8.314 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.560 12.210 6.301 1.00 0.00 C ATOM 0 H LEU A 113 8.703 8.383 5.295 1.00 0.00 H new ATOM 0 HA LEU A 113 8.705 10.983 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.954 9.766 6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.128 11.461 6.191 1.00 0.00 H new ATOM 0 HG LEU A 113 7.453 10.102 6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.432 11.192 8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.758 10.014 8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.098 11.756 8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.627 12.413 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.261 13.026 6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.364 12.127 5.232 1.00 0.00 H new ATOM 1704 N ASP A 114 11.515 9.263 4.132 1.00 0.00 N ATOM 1705 CA ASP A 114 12.853 9.197 3.555 1.00 0.00 C ATOM 1706 C ASP A 114 12.814 9.491 2.058 1.00 0.00 C ATOM 1707 O ASP A 114 13.702 10.155 1.522 1.00 0.00 O ATOM 1708 CB ASP A 114 13.470 7.819 3.800 1.00 0.00 C ATOM 1709 CG ASP A 114 14.215 7.745 5.118 1.00 0.00 C ATOM 1710 OD1 ASP A 114 14.851 8.750 5.497 1.00 0.00 O ATOM 1711 OD2 ASP A 114 14.162 6.681 5.771 1.00 0.00 O ATOM 0 H ASP A 114 11.250 8.443 4.678 1.00 0.00 H new ATOM 0 HA ASP A 114 13.469 9.954 4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 114 12.683 7.064 3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 114 14.154 7.580 2.985 1.00 0.00 H new ATOM 1716 N LEU A 115 11.780 8.992 1.389 1.00 0.00 N ATOM 1717 CA LEU A 115 11.625 9.201 -0.046 1.00 0.00 C ATOM 1718 C LEU A 115 10.967 10.547 -0.333 1.00 0.00 C ATOM 1719 O LEU A 115 11.335 11.240 -1.282 1.00 0.00 O ATOM 1720 CB LEU A 115 10.793 8.073 -0.658 1.00 0.00 C ATOM 1721 CG LEU A 115 11.099 6.662 -0.153 1.00 0.00 C ATOM 1722 CD1 LEU A 115 9.962 5.713 -0.498 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.412 6.160 -0.736 1.00 0.00 C ATOM 0 H LEU A 115 11.037 8.440 1.817 1.00 0.00 H new ATOM 0 HA LEU A 115 12.617 9.199 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.740 8.283 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.935 8.089 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 115 11.197 6.698 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.198 4.714 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.041 6.063 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.831 5.680 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.614 5.155 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.343 6.139 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.221 6.826 -0.437 1.00 0.00 H new ATOM 1735 N PHE A 116 9.994 10.912 0.494 1.00 0.00 N ATOM 1736 CA PHE A 116 9.285 12.176 0.330 1.00 0.00 C ATOM 1737 C PHE A 116 10.264 13.345 0.277 1.00 0.00 C ATOM 1738 O PHE A 116 10.008 14.353 -0.382 1.00 0.00 O ATOM 1739 CB PHE A 116 8.291 12.380 1.476 1.00 0.00 C ATOM 1740 CG PHE A 116 7.824 13.800 1.618 1.00 0.00 C ATOM 1741 CD1 PHE A 116 6.841 14.308 0.784 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.368 14.628 2.587 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.411 15.614 0.913 1.00 0.00 C ATOM 1744 CE2 PHE A 116 7.941 15.936 2.721 1.00 0.00 C ATOM 1745 CZ PHE A 116 6.960 16.429 1.883 1.00 0.00 C ATOM 0 H PHE A 116 9.678 10.351 1.285 1.00 0.00 H new ATOM 0 HA PHE A 116 8.739 12.139 -0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.426 11.736 1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.755 12.063 2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.406 13.675 0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.135 14.247 3.245 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.645 15.998 0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.374 16.571 3.480 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.623 17.450 1.986 1.00 0.00 H new ATOM 1755 N SER A 117 11.385 13.203 0.976 1.00 0.00 N ATOM 1756 CA SER A 117 12.401 14.248 1.013 1.00 0.00 C ATOM 1757 C SER A 117 13.363 14.112 -0.163 1.00 0.00 C ATOM 1758 O SER A 117 14.445 14.701 -0.167 1.00 0.00 O ATOM 1759 CB SER A 117 13.176 14.190 2.330 1.00 0.00 C ATOM 1760 OG SER A 117 14.231 13.247 2.260 1.00 0.00 O ATOM 0 H SER A 117 11.613 12.374 1.525 1.00 0.00 H new ATOM 0 HA SER A 117 11.898 15.212 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.580 15.176 2.562 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.500 13.924 3.142 1.00 0.00 H new ATOM 0 HG SER A 117 13.865 12.361 2.056 1.00 0.00 H new ATOM 1766 N ASP A 118 12.962 13.331 -1.160 1.00 0.00 N ATOM 1767 CA ASP A 118 13.787 13.117 -2.343 1.00 0.00 C ATOM 1768 C ASP A 118 13.053 13.558 -3.606 1.00 0.00 C ATOM 1769 O ASP A 118 13.671 13.996 -4.574 1.00 0.00 O ATOM 1770 CB ASP A 118 14.182 11.643 -2.456 1.00 0.00 C ATOM 1771 CG ASP A 118 15.446 11.322 -1.684 1.00 0.00 C ATOM 1772 OD1 ASP A 118 15.548 11.739 -0.511 1.00 0.00 O ATOM 1773 OD2 ASP A 118 16.333 10.652 -2.252 1.00 0.00 O ATOM 0 H ASP A 118 12.070 12.836 -1.172 1.00 0.00 H new ATOM 0 HA ASP A 118 14.689 13.720 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.366 11.022 -2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.326 11.388 -3.506 1.00 0.00 H new ATOM 1778 N ASN A 119 11.729 13.437 -3.586 1.00 0.00 N ATOM 1779 CA ASN A 119 10.910 13.821 -4.730 1.00 0.00 C ATOM 1780 C ASN A 119 10.002 14.996 -4.379 1.00 0.00 C ATOM 1781 O ASN A 119 10.011 16.024 -5.055 1.00 0.00 O ATOM 1782 CB ASN A 119 10.067 12.635 -5.202 1.00 0.00 C ATOM 1783 CG ASN A 119 10.889 11.604 -5.952 1.00 0.00 C ATOM 1784 OD1 ASN A 119 11.387 11.868 -7.047 1.00 0.00 O ATOM 1785 ND2 ASN A 119 11.034 10.422 -5.365 1.00 0.00 N ATOM 0 H ASN A 119 11.201 13.076 -2.791 1.00 0.00 H new ATOM 0 HA ASN A 119 11.577 14.128 -5.536 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.595 12.163 -4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 119 9.266 12.996 -5.847 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.576 9.689 -5.822 1.00 0.00 H new ATOM 0 HD22 ASN A 119 10.604 10.247 -4.457 1.00 0.00 H new