USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 899 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 GLN : amide:sc= -6.11 K(o=-6.9,f=-1.3!) USER MOD Set 1.2: A 91 SER OG : rot -122:sc= -0.755 USER MOD Single : A 1 MET CE :methyl -116:sc= -0.102 (180deg=-0.676) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.123 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -3.17 X(o=-3.2,f=-3.1!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 48:sc= 0.48 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 32 THR OG1 : rot -108:sc= 0.897 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 35 MET CE :methyl -171:sc= -1.34 (180deg=-1.36) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 42 SER OG : rot 40:sc= -0.3! USER MOD Single : A 46 MET CE :methyl 154:sc= -0.0871 (180deg=-0.816) USER MOD Single : A 50 MET CE :methyl -179:sc= -0.81 (180deg=-0.81) USER MOD Single : A 51 TYR OH : rot -56:sc= 0.853 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -158:sc= -0.0375 (180deg=-0.562) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -176:sc= 0.0525 USER MOD Single : A 84 LYS NZ :NH3+ -114:sc= 1.1 (180deg=-0.285) USER MOD Single : A 87 GLN : amide:sc= -3.18 K(o=-3.2,f=-4!) USER MOD Single : A 95 GLN : amide:sc= -1.37 K(o=-1.4,f=-1.9) USER MOD Single : A 96 TYR OH : rot 90:sc= -2.06 USER MOD Single : A 101 GLN : amide:sc= 0.359 K(o=0.36,f=-2.3!) USER MOD Single : A 105 TYR OH : rot 150:sc= -0.655 USER MOD Single : A 109 THR OG1 : rot 104:sc= 1.12 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -3.97 K(o=-4,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.955 0.730 18.179 1.00 0.00 N ATOM 2 CA MET A 1 3.413 -0.632 18.453 1.00 0.00 C ATOM 3 C MET A 1 2.558 -1.066 17.253 1.00 0.00 C ATOM 4 O MET A 1 2.463 -0.340 16.260 1.00 0.00 O ATOM 5 CB MET A 1 2.555 -0.581 19.744 1.00 0.00 C ATOM 6 CG MET A 1 2.743 -1.862 20.584 1.00 0.00 C ATOM 7 SD MET A 1 4.418 -1.894 21.269 1.00 0.00 S ATOM 8 CE MET A 1 4.157 -0.657 22.564 1.00 0.00 C ATOM 0 H1 MET A 1 4.959 0.765 18.448 1.00 0.00 H new ATOM 0 H2 MET A 1 3.860 0.944 17.166 1.00 0.00 H new ATOM 0 H3 MET A 1 3.424 1.433 18.732 1.00 0.00 H new ATOM 0 HA MET A 1 4.220 -1.350 18.596 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.834 0.291 20.336 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.503 -0.465 19.482 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.009 -1.893 21.389 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.575 -2.743 19.965 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.785 0.212 22.369 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.110 -0.353 22.572 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.418 -1.084 23.533 1.00 0.00 H new ATOM 20 N ASP A 2 1.945 -2.253 17.356 1.00 0.00 N ATOM 21 CA ASP A 2 1.103 -2.791 16.283 1.00 0.00 C ATOM 22 C ASP A 2 1.930 -3.029 14.991 1.00 0.00 C ATOM 23 O ASP A 2 2.500 -4.110 14.814 1.00 0.00 O ATOM 24 CB ASP A 2 -0.117 -1.855 16.024 1.00 0.00 C ATOM 25 CG ASP A 2 -1.122 -1.902 17.195 1.00 0.00 C ATOM 26 OD1 ASP A 2 -1.063 -2.835 17.989 1.00 0.00 O ATOM 27 OD2 ASP A 2 -1.938 -0.997 17.275 1.00 0.00 O ATOM 0 H ASP A 2 2.018 -2.859 18.174 1.00 0.00 H new ATOM 0 HA ASP A 2 0.717 -3.760 16.600 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.231 -0.832 15.882 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.616 -2.152 15.102 1.00 0.00 H new ATOM 32 N PHE A 3 2.001 -2.013 14.105 1.00 0.00 N ATOM 33 CA PHE A 3 2.763 -2.119 12.861 1.00 0.00 C ATOM 34 C PHE A 3 3.602 -0.875 12.664 1.00 0.00 C ATOM 35 O PHE A 3 3.229 0.203 13.134 1.00 0.00 O ATOM 36 CB PHE A 3 1.819 -2.310 11.665 1.00 0.00 C ATOM 37 CG PHE A 3 1.052 -3.604 11.823 1.00 0.00 C ATOM 38 CD1 PHE A 3 -0.183 -3.609 12.479 1.00 0.00 C ATOM 39 CD2 PHE A 3 1.580 -4.798 11.313 1.00 0.00 C ATOM 40 CE1 PHE A 3 -0.892 -4.807 12.626 1.00 0.00 C ATOM 41 CE2 PHE A 3 0.870 -5.995 11.461 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.366 -6.000 12.117 1.00 0.00 C ATOM 0 H PHE A 3 1.537 -1.114 14.236 1.00 0.00 H new ATOM 0 HA PHE A 3 3.418 -2.987 12.927 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.126 -1.471 11.599 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.391 -2.326 10.737 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.590 -2.689 12.872 1.00 0.00 H new ATOM 0 HD2 PHE A 3 2.534 -4.794 10.806 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.846 -4.811 13.133 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.276 -6.915 11.069 1.00 0.00 H new ATOM 0 HZ PHE A 3 -0.914 -6.924 12.230 1.00 0.00 H new ATOM 52 N ARG A 4 4.740 -1.018 11.971 1.00 0.00 N ATOM 53 CA ARG A 4 5.621 0.124 11.726 1.00 0.00 C ATOM 54 C ARG A 4 6.136 0.132 10.301 1.00 0.00 C ATOM 55 O ARG A 4 6.460 -0.912 9.728 1.00 0.00 O ATOM 56 CB ARG A 4 6.814 0.131 12.688 1.00 0.00 C ATOM 57 CG ARG A 4 7.452 1.540 12.702 1.00 0.00 C ATOM 58 CD ARG A 4 8.856 1.468 13.277 1.00 0.00 C ATOM 59 NE ARG A 4 9.386 2.825 13.521 1.00 0.00 N ATOM 60 CZ ARG A 4 9.915 3.605 12.541 1.00 0.00 C ATOM 61 NH1 ARG A 4 9.967 3.192 11.289 1.00 0.00 N ATOM 62 NH2 ARG A 4 10.388 4.784 12.846 1.00 0.00 N ATOM 0 H ARG A 4 5.066 -1.901 11.577 1.00 0.00 H new ATOM 0 HA ARG A 4 5.022 1.019 11.895 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.488 -0.143 13.691 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.550 -0.611 12.378 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.485 1.944 11.690 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.841 2.219 13.296 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.845 0.903 14.209 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.510 0.934 12.588 1.00 0.00 H new ATOM 0 HE ARG A 4 9.354 3.195 14.471 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.606 2.271 11.040 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.368 3.794 10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 4 10.358 5.111 13.812 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.787 5.377 12.119 1.00 0.00 H new ATOM 76 N VAL A 5 6.224 1.328 9.758 1.00 0.00 N ATOM 77 CA VAL A 5 6.711 1.562 8.419 1.00 0.00 C ATOM 78 C VAL A 5 8.036 2.334 8.512 1.00 0.00 C ATOM 79 O VAL A 5 8.117 3.343 9.224 1.00 0.00 O ATOM 80 CB VAL A 5 5.665 2.392 7.653 1.00 0.00 C ATOM 81 CG1 VAL A 5 6.144 2.690 6.231 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.330 1.629 7.580 1.00 0.00 C ATOM 0 H VAL A 5 5.953 2.181 10.247 1.00 0.00 H new ATOM 0 HA VAL A 5 6.876 0.621 7.894 1.00 0.00 H new ATOM 0 HB VAL A 5 5.525 3.331 8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.389 3.277 5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.077 3.252 6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.308 1.753 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.599 2.227 7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.480 0.681 7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.964 1.438 8.589 1.00 0.00 H new ATOM 92 N VAL A 6 9.068 1.859 7.796 1.00 0.00 N ATOM 93 CA VAL A 6 10.379 2.529 7.818 1.00 0.00 C ATOM 94 C VAL A 6 10.612 3.252 6.491 1.00 0.00 C ATOM 95 O VAL A 6 10.567 2.646 5.411 1.00 0.00 O ATOM 96 CB VAL A 6 11.520 1.517 8.117 1.00 0.00 C ATOM 97 CG1 VAL A 6 12.881 2.235 8.158 1.00 0.00 C ATOM 98 CG2 VAL A 6 11.269 0.846 9.475 1.00 0.00 C ATOM 0 H VAL A 6 9.023 1.029 7.205 1.00 0.00 H new ATOM 0 HA VAL A 6 10.383 3.266 8.621 1.00 0.00 H new ATOM 0 HB VAL A 6 11.535 0.768 7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.668 1.511 8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.072 2.709 7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.868 2.995 8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.070 0.136 9.684 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.244 1.605 10.257 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.315 0.319 9.450 1.00 0.00 H new ATOM 108 N GLY A 7 10.795 4.564 6.595 1.00 0.00 N ATOM 109 CA GLY A 7 10.968 5.435 5.443 1.00 0.00 C ATOM 110 C GLY A 7 12.439 5.585 4.993 1.00 0.00 C ATOM 111 O GLY A 7 12.699 5.572 3.784 1.00 0.00 O ATOM 0 H GLY A 7 10.827 5.054 7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.381 5.044 4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.568 6.421 5.680 1.00 0.00 H new ATOM 115 N PRO A 8 13.426 5.758 5.918 1.00 0.00 N ATOM 116 CA PRO A 8 14.856 5.934 5.504 1.00 0.00 C ATOM 117 C PRO A 8 15.266 4.872 4.495 1.00 0.00 C ATOM 118 O PRO A 8 15.310 3.680 4.813 1.00 0.00 O ATOM 119 CB PRO A 8 15.626 5.770 6.814 1.00 0.00 C ATOM 120 CG PRO A 8 14.680 6.246 7.863 1.00 0.00 C ATOM 121 CD PRO A 8 13.290 5.809 7.402 1.00 0.00 C ATOM 0 HA PRO A 8 15.043 6.891 5.017 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.912 4.731 6.979 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.544 6.357 6.811 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.923 5.814 8.834 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.732 7.329 7.974 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.015 4.839 7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.521 6.517 7.712 1.00 0.00 H new ATOM 129 N ASN A 9 15.541 5.321 3.271 1.00 0.00 N ATOM 130 CA ASN A 9 15.917 4.429 2.180 1.00 0.00 C ATOM 131 C ASN A 9 16.915 5.096 1.250 1.00 0.00 C ATOM 132 O ASN A 9 17.165 6.303 1.346 1.00 0.00 O ATOM 133 CB ASN A 9 14.681 4.006 1.378 1.00 0.00 C ATOM 134 CG ASN A 9 13.710 3.228 2.260 1.00 0.00 C ATOM 135 OD1 ASN A 9 14.127 2.369 3.035 1.00 0.00 O ATOM 136 ND2 ASN A 9 12.432 3.477 2.182 1.00 0.00 N ATOM 0 H ASN A 9 15.509 6.307 3.011 1.00 0.00 H new ATOM 0 HA ASN A 9 16.380 3.547 2.621 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.185 4.888 0.971 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.984 3.391 0.530 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.775 2.959 2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.090 4.190 1.538 1.00 0.00 H new ATOM 143 N LEU A 10 17.441 4.308 0.322 1.00 0.00 N ATOM 144 CA LEU A 10 18.375 4.798 -0.682 1.00 0.00 C ATOM 145 C LEU A 10 17.599 5.638 -1.728 1.00 0.00 C ATOM 146 O LEU A 10 16.617 5.139 -2.288 1.00 0.00 O ATOM 147 CB LEU A 10 19.070 3.603 -1.376 1.00 0.00 C ATOM 148 CG LEU A 10 20.124 4.089 -2.401 1.00 0.00 C ATOM 149 CD1 LEU A 10 21.305 4.771 -1.687 1.00 0.00 C ATOM 150 CD2 LEU A 10 20.640 2.890 -3.201 1.00 0.00 C ATOM 0 H LEU A 10 17.232 3.313 0.244 1.00 0.00 H new ATOM 0 HA LEU A 10 19.134 5.419 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 10 19.550 2.973 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.325 2.988 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 10 19.655 4.812 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.033 5.105 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.942 5.630 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.777 4.062 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 10 21.383 3.227 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 10 21.096 2.169 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 10 19.810 2.419 -3.727 1.00 0.00 H new ATOM 162 N PRO A 11 17.974 6.915 -1.984 1.00 0.00 N ATOM 163 CA PRO A 11 17.219 7.777 -2.952 1.00 0.00 C ATOM 164 C PRO A 11 17.129 7.137 -4.336 1.00 0.00 C ATOM 165 O PRO A 11 18.111 6.574 -4.831 1.00 0.00 O ATOM 166 CB PRO A 11 18.035 9.073 -3.005 1.00 0.00 C ATOM 167 CG PRO A 11 18.774 9.108 -1.711 1.00 0.00 C ATOM 168 CD PRO A 11 19.123 7.662 -1.400 1.00 0.00 C ATOM 0 HA PRO A 11 16.186 7.933 -2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 11 18.720 9.075 -3.853 1.00 0.00 H new ATOM 0 HB3 PRO A 11 17.389 9.944 -3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 11 19.673 9.720 -1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 11 18.161 9.542 -0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 11 20.070 7.368 -1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 11 19.215 7.489 -0.328 1.00 0.00 H new ATOM 176 N ILE A 12 15.944 7.240 -4.964 1.00 0.00 N ATOM 177 CA ILE A 12 15.740 6.674 -6.317 1.00 0.00 C ATOM 178 C ILE A 12 15.539 7.807 -7.323 1.00 0.00 C ATOM 179 O ILE A 12 14.745 8.725 -7.085 1.00 0.00 O ATOM 180 CB ILE A 12 14.524 5.709 -6.341 1.00 0.00 C ATOM 181 CG1 ILE A 12 14.753 4.574 -5.316 1.00 0.00 C ATOM 182 CG2 ILE A 12 14.377 5.093 -7.754 1.00 0.00 C ATOM 183 CD1 ILE A 12 13.454 3.768 -5.101 1.00 0.00 C ATOM 0 H ILE A 12 15.124 7.700 -4.568 1.00 0.00 H new ATOM 0 HA ILE A 12 16.626 6.101 -6.591 1.00 0.00 H new ATOM 0 HB ILE A 12 13.619 6.261 -6.088 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.544 3.912 -5.668 1.00 0.00 H new ATOM 0 HG13 ILE A 12 15.088 4.995 -4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.523 4.416 -7.769 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.222 5.888 -8.483 1.00 0.00 H new ATOM 0 HG23 ILE A 12 15.282 4.541 -8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.634 2.974 -4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.673 4.430 -4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.136 3.331 -6.048 1.00 0.00 H new ATOM 195 N LEU A 13 16.311 7.767 -8.421 1.00 0.00 N ATOM 196 CA LEU A 13 16.263 8.827 -9.430 1.00 0.00 C ATOM 197 C LEU A 13 15.761 8.317 -10.784 1.00 0.00 C ATOM 198 O LEU A 13 16.426 7.515 -11.447 1.00 0.00 O ATOM 199 CB LEU A 13 17.658 9.463 -9.587 1.00 0.00 C ATOM 200 CG LEU A 13 17.527 10.941 -10.000 1.00 0.00 C ATOM 201 CD1 LEU A 13 18.856 11.663 -9.763 1.00 0.00 C ATOM 202 CD2 LEU A 13 17.151 11.034 -11.483 1.00 0.00 C ATOM 0 H LEU A 13 16.970 7.016 -8.628 1.00 0.00 H new ATOM 0 HA LEU A 13 15.552 9.578 -9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.207 9.388 -8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 13 18.232 8.918 -10.337 1.00 0.00 H new ATOM 0 HG LEU A 13 16.748 11.411 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 13 18.760 12.708 -10.056 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.118 11.605 -8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.638 11.190 -10.357 1.00 0.00 H new ATOM 0 HD21 LEU A 13 17.060 12.082 -11.770 1.00 0.00 H new ATOM 0 HD22 LEU A 13 17.925 10.559 -12.085 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.200 10.528 -11.650 1.00 0.00 H new ATOM 214 N ALA A 14 14.607 8.850 -11.208 1.00 0.00 N ATOM 215 CA ALA A 14 14.022 8.527 -12.509 1.00 0.00 C ATOM 216 C ALA A 14 13.732 9.818 -13.274 1.00 0.00 C ATOM 217 O ALA A 14 13.223 10.779 -12.701 1.00 0.00 O ATOM 218 CB ALA A 14 12.728 7.730 -12.328 1.00 0.00 C ATOM 0 H ALA A 14 14.058 9.513 -10.660 1.00 0.00 H new ATOM 0 HA ALA A 14 14.730 7.920 -13.074 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.304 7.497 -13.305 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.943 6.804 -11.795 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.014 8.321 -11.755 1.00 0.00 H new ATOM 224 N LYS A 15 14.094 9.842 -14.559 1.00 0.00 N ATOM 225 CA LYS A 15 13.903 11.032 -15.400 1.00 0.00 C ATOM 226 C LYS A 15 12.430 11.196 -15.810 1.00 0.00 C ATOM 227 O LYS A 15 11.753 10.218 -16.132 1.00 0.00 O ATOM 228 CB LYS A 15 14.807 10.950 -16.642 1.00 0.00 C ATOM 229 CG LYS A 15 14.715 12.252 -17.454 1.00 0.00 C ATOM 230 CD LYS A 15 15.644 12.168 -18.665 1.00 0.00 C ATOM 231 CE LYS A 15 15.549 13.467 -19.468 1.00 0.00 C ATOM 232 NZ LYS A 15 16.464 13.396 -20.642 1.00 0.00 N ATOM 0 H LYS A 15 14.521 9.052 -15.042 1.00 0.00 H new ATOM 0 HA LYS A 15 14.182 11.910 -14.818 1.00 0.00 H new ATOM 0 HB2 LYS A 15 15.839 10.775 -16.338 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.509 10.105 -17.262 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.688 12.417 -17.781 1.00 0.00 H new ATOM 0 HG3 LYS A 15 14.991 13.102 -16.830 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.671 12.003 -18.339 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.368 11.319 -19.291 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.524 13.626 -19.802 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.814 14.316 -18.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.399 14.279 -21.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.442 13.264 -20.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.191 12.595 -21.247 1.00 0.00 H new ATOM 246 N VAL A 16 11.952 12.453 -15.802 1.00 0.00 N ATOM 247 CA VAL A 16 10.568 12.765 -16.184 1.00 0.00 C ATOM 248 C VAL A 16 10.221 12.124 -17.536 1.00 0.00 C ATOM 249 O VAL A 16 11.037 12.116 -18.462 1.00 0.00 O ATOM 250 CB VAL A 16 10.353 14.305 -16.220 1.00 0.00 C ATOM 251 CG1 VAL A 16 11.299 14.952 -17.243 1.00 0.00 C ATOM 252 CG2 VAL A 16 8.885 14.638 -16.586 1.00 0.00 C ATOM 0 H VAL A 16 12.505 13.267 -15.535 1.00 0.00 H new ATOM 0 HA VAL A 16 9.896 12.346 -15.435 1.00 0.00 H new ATOM 0 HB VAL A 16 10.571 14.704 -15.229 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.137 16.030 -17.257 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.332 14.744 -16.966 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.100 14.542 -18.233 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.752 15.720 -16.607 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.652 14.225 -17.567 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.217 14.204 -15.842 1.00 0.00 H new ATOM 262 N GLY A 17 9.022 11.548 -17.608 1.00 0.00 N ATOM 263 CA GLY A 17 8.559 10.845 -18.812 1.00 0.00 C ATOM 264 C GLY A 17 8.843 9.336 -18.707 1.00 0.00 C ATOM 265 O GLY A 17 8.169 8.522 -19.346 1.00 0.00 O ATOM 0 H GLY A 17 8.347 11.553 -16.843 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.490 11.010 -18.946 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.057 11.253 -19.691 1.00 0.00 H new ATOM 269 N GLU A 18 9.812 8.975 -17.848 1.00 0.00 N ATOM 270 CA GLU A 18 10.157 7.583 -17.593 1.00 0.00 C ATOM 271 C GLU A 18 9.504 7.125 -16.298 1.00 0.00 C ATOM 272 O GLU A 18 9.091 7.953 -15.485 1.00 0.00 O ATOM 273 CB GLU A 18 11.685 7.408 -17.508 1.00 0.00 C ATOM 274 CG GLU A 18 12.348 7.843 -18.834 1.00 0.00 C ATOM 275 CD GLU A 18 11.875 6.965 -20.006 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.646 5.783 -19.790 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.753 7.492 -21.099 1.00 0.00 O ATOM 0 H GLU A 18 10.371 9.644 -17.318 1.00 0.00 H new ATOM 0 HA GLU A 18 9.790 6.973 -18.418 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.081 8.001 -16.684 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.928 6.367 -17.296 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.109 8.887 -19.038 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.432 7.777 -18.741 1.00 0.00 H new ATOM 284 N ASP A 19 9.398 5.809 -16.122 1.00 0.00 N ATOM 285 CA ASP A 19 8.768 5.236 -14.928 1.00 0.00 C ATOM 286 C ASP A 19 9.704 5.325 -13.705 1.00 0.00 C ATOM 287 O ASP A 19 10.920 5.464 -13.852 1.00 0.00 O ATOM 288 CB ASP A 19 8.380 3.771 -15.209 1.00 0.00 C ATOM 289 CG ASP A 19 9.619 2.907 -15.539 1.00 0.00 C ATOM 290 OD1 ASP A 19 10.736 3.349 -15.290 1.00 0.00 O ATOM 291 OD2 ASP A 19 9.424 1.811 -16.040 1.00 0.00 O ATOM 0 H ASP A 19 9.739 5.117 -16.789 1.00 0.00 H new ATOM 0 HA ASP A 19 7.871 5.810 -14.695 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.868 3.357 -14.341 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.677 3.733 -16.041 1.00 0.00 H new ATOM 296 N ALA A 20 9.112 5.262 -12.497 1.00 0.00 N ATOM 297 CA ALA A 20 9.879 5.355 -11.240 1.00 0.00 C ATOM 298 C ALA A 20 9.396 4.324 -10.233 1.00 0.00 C ATOM 299 O ALA A 20 8.315 3.746 -10.392 1.00 0.00 O ATOM 300 CB ALA A 20 9.765 6.751 -10.625 1.00 0.00 C ATOM 0 H ALA A 20 8.107 5.147 -12.365 1.00 0.00 H new ATOM 0 HA ALA A 20 10.923 5.159 -11.483 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.340 6.789 -9.700 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.154 7.490 -11.325 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.719 6.970 -10.411 1.00 0.00 H new ATOM 306 N LEU A 21 10.225 4.068 -9.212 1.00 0.00 N ATOM 307 CA LEU A 21 9.905 3.069 -8.194 1.00 0.00 C ATOM 308 C LEU A 21 9.619 3.730 -6.838 1.00 0.00 C ATOM 309 O LEU A 21 10.477 4.419 -6.280 1.00 0.00 O ATOM 310 CB LEU A 21 11.080 2.078 -8.058 1.00 0.00 C ATOM 311 CG LEU A 21 10.718 0.918 -7.105 1.00 0.00 C ATOM 312 CD1 LEU A 21 9.647 0.019 -7.753 1.00 0.00 C ATOM 313 CD2 LEU A 21 11.974 0.090 -6.811 1.00 0.00 C ATOM 0 H LEU A 21 11.119 4.539 -9.073 1.00 0.00 H new ATOM 0 HA LEU A 21 9.007 2.535 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.340 1.680 -9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.960 2.601 -7.683 1.00 0.00 H new ATOM 0 HG LEU A 21 10.323 1.327 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.397 -0.797 -7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.753 0.608 -7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.032 -0.391 -8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.720 -0.729 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.369 -0.315 -7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.727 0.724 -6.343 1.00 0.00 H new ATOM 325 N LEU A 22 8.424 3.466 -6.299 1.00 0.00 N ATOM 326 CA LEU A 22 8.028 3.983 -4.978 1.00 0.00 C ATOM 327 C LEU A 22 8.044 2.812 -3.990 1.00 0.00 C ATOM 328 O LEU A 22 7.259 1.876 -4.152 1.00 0.00 O ATOM 329 CB LEU A 22 6.579 4.563 -5.028 1.00 0.00 C ATOM 330 CG LEU A 22 6.368 5.531 -6.230 1.00 0.00 C ATOM 331 CD1 LEU A 22 4.898 5.964 -6.272 1.00 0.00 C ATOM 332 CD2 LEU A 22 7.257 6.781 -6.084 1.00 0.00 C ATOM 0 H LEU A 22 7.711 2.897 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 22 8.716 4.772 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.864 3.743 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.370 5.092 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 22 6.638 5.013 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.742 6.642 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.263 5.086 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.642 6.472 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.095 7.444 -6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.002 7.303 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.304 6.481 -6.053 1.00 0.00 H new ATOM 344 N THR A 23 8.967 2.824 -2.999 1.00 0.00 N ATOM 345 CA THR A 23 9.069 1.671 -2.071 1.00 0.00 C ATOM 346 C THR A 23 9.331 2.058 -0.608 1.00 0.00 C ATOM 347 O THR A 23 10.017 3.037 -0.315 1.00 0.00 O ATOM 348 CB THR A 23 10.151 0.691 -2.560 1.00 0.00 C ATOM 349 OG1 THR A 23 10.204 -0.429 -1.686 1.00 0.00 O ATOM 350 CG2 THR A 23 11.521 1.386 -2.594 1.00 0.00 C ATOM 0 H THR A 23 9.625 3.583 -2.824 1.00 0.00 H new ATOM 0 HA THR A 23 8.089 1.193 -2.082 1.00 0.00 H new ATOM 0 HB THR A 23 9.901 0.358 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.297 -0.767 -1.533 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.277 0.682 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.480 2.239 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.779 1.731 -1.593 1.00 0.00 H new ATOM 358 N CYS A 24 8.782 1.232 0.300 1.00 0.00 N ATOM 359 CA CYS A 24 8.941 1.411 1.756 1.00 0.00 C ATOM 360 C CYS A 24 8.994 0.048 2.452 1.00 0.00 C ATOM 361 O CYS A 24 8.760 -0.984 1.815 1.00 0.00 O ATOM 362 CB CYS A 24 7.787 2.249 2.341 1.00 0.00 C ATOM 363 SG CYS A 24 6.204 1.409 2.067 1.00 0.00 S ATOM 0 H CYS A 24 8.216 0.422 0.047 1.00 0.00 H new ATOM 0 HA CYS A 24 9.876 1.943 1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.945 2.404 3.408 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.770 3.234 1.875 1.00 0.00 H new ATOM 368 N GLN A 25 9.327 0.045 3.758 1.00 0.00 N ATOM 369 CA GLN A 25 9.433 -1.213 4.517 1.00 0.00 C ATOM 370 C GLN A 25 8.275 -1.369 5.501 1.00 0.00 C ATOM 371 O GLN A 25 8.108 -0.571 6.419 1.00 0.00 O ATOM 372 CB GLN A 25 10.762 -1.270 5.261 1.00 0.00 C ATOM 373 CG GLN A 25 11.913 -1.354 4.255 1.00 0.00 C ATOM 374 CD GLN A 25 13.250 -1.403 4.991 1.00 0.00 C ATOM 375 OE1 GLN A 25 13.379 -2.094 6.002 1.00 0.00 O ATOM 376 NE2 GLN A 25 14.258 -0.704 4.542 1.00 0.00 N ATOM 0 H GLN A 25 9.524 0.886 4.301 1.00 0.00 H new ATOM 0 HA GLN A 25 9.385 -2.037 3.805 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.877 -0.385 5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.782 -2.135 5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.799 -2.242 3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.887 -0.492 3.588 1.00 0.00 H new ATOM 0 HE21 GLN A 25 14.149 -0.132 3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.154 -0.730 5.029 1.00 0.00 H new ATOM 385 N LEU A 26 7.473 -2.404 5.268 1.00 0.00 N ATOM 386 CA LEU A 26 6.293 -2.714 6.078 1.00 0.00 C ATOM 387 C LEU A 26 6.242 -4.195 6.420 1.00 0.00 C ATOM 388 O LEU A 26 7.037 -4.979 5.896 1.00 0.00 O ATOM 389 CB LEU A 26 4.980 -2.226 5.441 1.00 0.00 C ATOM 390 CG LEU A 26 4.839 -2.737 3.993 1.00 0.00 C ATOM 391 CD1 LEU A 26 4.369 -4.205 4.000 1.00 0.00 C ATOM 392 CD2 LEU A 26 3.807 -1.865 3.244 1.00 0.00 C ATOM 0 H LEU A 26 7.624 -3.061 4.502 1.00 0.00 H new ATOM 0 HA LEU A 26 6.395 -2.156 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.134 -2.571 6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.952 -1.136 5.449 1.00 0.00 H new ATOM 0 HG LEU A 26 5.804 -2.675 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.271 -4.561 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.099 -4.818 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.404 -4.276 4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.704 -2.223 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.843 -1.928 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.145 -0.829 3.234 1.00 0.00 H new ATOM 404 N LEU A 27 5.387 -4.558 7.375 1.00 0.00 N ATOM 405 CA LEU A 27 5.329 -5.932 7.872 1.00 0.00 C ATOM 406 C LEU A 27 4.395 -6.787 6.969 1.00 0.00 C ATOM 407 O LEU A 27 3.667 -6.225 6.152 1.00 0.00 O ATOM 408 CB LEU A 27 4.792 -5.916 9.322 1.00 0.00 C ATOM 409 CG LEU A 27 5.827 -5.279 10.269 1.00 0.00 C ATOM 410 CD1 LEU A 27 5.182 -5.041 11.634 1.00 0.00 C ATOM 411 CD2 LEU A 27 7.029 -6.225 10.447 1.00 0.00 C ATOM 0 H LEU A 27 4.726 -3.921 7.819 1.00 0.00 H new ATOM 0 HA LEU A 27 6.326 -6.372 7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.857 -5.357 9.365 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.570 -6.933 9.646 1.00 0.00 H new ATOM 0 HG LEU A 27 6.166 -4.335 9.842 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.911 -4.590 12.307 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.329 -4.371 11.522 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.845 -5.991 12.048 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.756 -5.767 11.118 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.689 -7.170 10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.494 -6.408 9.478 1.00 0.00 H new ATOM 423 N PRO A 28 4.548 -8.149 6.988 1.00 0.00 N ATOM 424 CA PRO A 28 3.885 -9.100 6.060 1.00 0.00 C ATOM 425 C PRO A 28 2.749 -8.540 5.208 1.00 0.00 C ATOM 426 O PRO A 28 1.803 -7.928 5.705 1.00 0.00 O ATOM 427 CB PRO A 28 3.410 -10.188 7.013 1.00 0.00 C ATOM 428 CG PRO A 28 4.442 -10.188 8.140 1.00 0.00 C ATOM 429 CD PRO A 28 5.356 -8.954 7.919 1.00 0.00 C ATOM 0 HA PRO A 28 4.571 -9.429 5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.410 -9.976 7.391 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.364 -11.158 6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.951 -10.135 9.112 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.027 -11.108 8.127 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.560 -8.423 8.849 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.320 -9.230 7.492 1.00 0.00 H new ATOM 437 N LYS A 29 2.861 -8.812 3.906 1.00 0.00 N ATOM 438 CA LYS A 29 1.869 -8.412 2.907 1.00 0.00 C ATOM 439 C LYS A 29 0.738 -9.459 2.781 1.00 0.00 C ATOM 440 O LYS A 29 -0.266 -9.218 2.104 1.00 0.00 O ATOM 441 CB LYS A 29 2.560 -8.247 1.553 1.00 0.00 C ATOM 442 CG LYS A 29 1.621 -7.543 0.563 1.00 0.00 C ATOM 443 CD LYS A 29 2.359 -7.286 -0.758 1.00 0.00 C ATOM 444 CE LYS A 29 2.512 -8.601 -1.540 1.00 0.00 C ATOM 445 NZ LYS A 29 3.163 -8.329 -2.852 1.00 0.00 N ATOM 0 H LYS A 29 3.652 -9.322 3.512 1.00 0.00 H new ATOM 0 HA LYS A 29 1.423 -7.470 3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.476 -7.668 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.848 -9.223 1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.739 -8.158 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.272 -6.600 0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.809 -6.560 -1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.340 -6.856 -0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.109 -9.310 -0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.535 -9.059 -1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.266 -9.219 -3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.577 -7.667 -3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.102 -7.910 -2.694 1.00 0.00 H new ATOM 459 N ARG A 30 0.925 -10.629 3.417 1.00 0.00 N ATOM 460 CA ARG A 30 -0.046 -11.716 3.342 1.00 0.00 C ATOM 461 C ARG A 30 -1.022 -11.601 4.501 1.00 0.00 C ATOM 462 O ARG A 30 -0.649 -11.185 5.600 1.00 0.00 O ATOM 463 CB ARG A 30 0.679 -13.071 3.411 1.00 0.00 C ATOM 464 CG ARG A 30 -0.205 -14.196 2.836 1.00 0.00 C ATOM 465 CD ARG A 30 -0.257 -14.092 1.302 1.00 0.00 C ATOM 466 NE ARG A 30 -1.111 -15.157 0.737 1.00 0.00 N ATOM 467 CZ ARG A 30 -2.461 -15.051 0.629 1.00 0.00 C ATOM 468 NH1 ARG A 30 -3.098 -13.973 1.040 1.00 0.00 N ATOM 469 NH2 ARG A 30 -3.140 -16.034 0.101 1.00 0.00 N ATOM 0 H ARG A 30 1.744 -10.839 3.988 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.589 -11.650 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.614 -13.017 2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.937 -13.298 4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.192 -15.168 3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.212 -14.125 3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.644 -13.115 1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.750 -14.170 0.892 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.665 -16.015 0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.577 -13.197 1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.112 -13.914 0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.656 -16.871 -0.225 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.154 -15.965 0.015 1.00 0.00 H new ATOM 483 N THR A 31 -2.300 -11.876 4.214 1.00 0.00 N ATOM 484 CA THR A 31 -3.395 -11.714 5.197 1.00 0.00 C ATOM 485 C THR A 31 -3.746 -10.221 5.371 1.00 0.00 C ATOM 486 O THR A 31 -4.231 -9.802 6.426 1.00 0.00 O ATOM 487 CB THR A 31 -3.039 -12.348 6.566 1.00 0.00 C ATOM 488 OG1 THR A 31 -2.378 -13.587 6.357 1.00 0.00 O ATOM 489 CG2 THR A 31 -4.317 -12.576 7.379 1.00 0.00 C ATOM 0 H THR A 31 -2.610 -12.215 3.303 1.00 0.00 H new ATOM 0 HA THR A 31 -4.266 -12.241 4.807 1.00 0.00 H new ATOM 0 HB THR A 31 -2.381 -11.675 7.115 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.151 -13.987 7.222 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.062 -13.022 8.340 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.819 -11.622 7.543 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.981 -13.246 6.833 1.00 0.00 H new ATOM 497 N THR A 32 -3.503 -9.436 4.310 1.00 0.00 N ATOM 498 CA THR A 32 -3.785 -7.998 4.306 1.00 0.00 C ATOM 499 C THR A 32 -5.206 -7.724 3.778 1.00 0.00 C ATOM 500 O THR A 32 -5.441 -6.761 3.016 1.00 0.00 O ATOM 501 CB THR A 32 -2.741 -7.259 3.451 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.735 -7.804 2.138 1.00 0.00 O ATOM 503 CG2 THR A 32 -1.354 -7.412 4.078 1.00 0.00 C ATOM 0 H THR A 32 -3.107 -9.781 3.436 1.00 0.00 H new ATOM 0 HA THR A 32 -3.726 -7.629 5.330 1.00 0.00 H new ATOM 0 HB THR A 32 -2.996 -6.200 3.405 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.915 -8.323 2.003 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.619 -6.887 3.468 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.360 -6.990 5.083 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.093 -8.469 4.130 1.00 0.00 H new ATOM 511 N ALA A 33 -6.146 -8.594 4.172 1.00 0.00 N ATOM 512 CA ALA A 33 -7.542 -8.475 3.761 1.00 0.00 C ATOM 513 C ALA A 33 -8.158 -7.169 4.269 1.00 0.00 C ATOM 514 O ALA A 33 -8.952 -6.533 3.568 1.00 0.00 O ATOM 515 CB ALA A 33 -8.349 -9.664 4.287 1.00 0.00 C ATOM 0 H ALA A 33 -5.958 -9.392 4.779 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.572 -8.469 2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.389 -9.565 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.936 -10.590 3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.298 -9.685 5.376 1.00 0.00 H new ATOM 521 N HIS A 34 -7.814 -6.796 5.509 1.00 0.00 N ATOM 522 CA HIS A 34 -8.357 -5.574 6.134 1.00 0.00 C ATOM 523 C HIS A 34 -7.296 -4.467 6.282 1.00 0.00 C ATOM 524 O HIS A 34 -7.519 -3.488 7.002 1.00 0.00 O ATOM 525 CB HIS A 34 -8.948 -5.902 7.510 1.00 0.00 C ATOM 526 CG HIS A 34 -10.131 -6.817 7.353 1.00 0.00 C ATOM 527 ND1 HIS A 34 -9.988 -8.188 7.207 1.00 0.00 N ATOM 528 CD2 HIS A 34 -11.481 -6.574 7.323 1.00 0.00 C ATOM 529 CE1 HIS A 34 -11.223 -8.714 7.097 1.00 0.00 C ATOM 530 NE2 HIS A 34 -12.169 -7.773 7.162 1.00 0.00 N ATOM 0 H HIS A 34 -7.166 -7.317 6.100 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.137 -5.198 5.471 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.192 -6.375 8.137 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.251 -4.984 8.014 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -11.940 -5.600 7.411 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.424 -9.768 6.972 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.179 -7.905 7.106 1.00 0.00 H new ATOM 538 N MET A 35 -6.146 -4.628 5.607 1.00 0.00 N ATOM 539 CA MET A 35 -5.059 -3.641 5.681 1.00 0.00 C ATOM 540 C MET A 35 -5.000 -2.791 4.409 1.00 0.00 C ATOM 541 O MET A 35 -5.393 -3.246 3.323 1.00 0.00 O ATOM 542 CB MET A 35 -3.709 -4.346 5.916 1.00 0.00 C ATOM 543 CG MET A 35 -3.512 -4.632 7.417 1.00 0.00 C ATOM 544 SD MET A 35 -4.505 -6.076 7.900 1.00 0.00 S ATOM 545 CE MET A 35 -3.165 -7.295 7.944 1.00 0.00 C ATOM 0 H MET A 35 -5.947 -5.428 5.007 1.00 0.00 H new ATOM 0 HA MET A 35 -5.261 -2.978 6.523 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.675 -5.279 5.353 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.895 -3.721 5.548 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.458 -4.816 7.627 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.807 -3.763 8.005 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.585 -8.293 8.067 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.602 -7.250 7.012 1.00 0.00 H new ATOM 0 HE3 MET A 35 -2.501 -7.076 8.780 1.00 0.00 H new ATOM 555 N GLU A 36 -4.524 -1.542 4.560 1.00 0.00 N ATOM 556 CA GLU A 36 -4.423 -0.607 3.437 1.00 0.00 C ATOM 557 C GLU A 36 -3.038 0.035 3.374 1.00 0.00 C ATOM 558 O GLU A 36 -2.432 0.328 4.410 1.00 0.00 O ATOM 559 CB GLU A 36 -5.489 0.495 3.559 1.00 0.00 C ATOM 560 CG GLU A 36 -6.886 -0.127 3.514 1.00 0.00 C ATOM 561 CD GLU A 36 -7.954 0.958 3.607 1.00 0.00 C ATOM 562 OE1 GLU A 36 -7.982 1.809 2.734 1.00 0.00 O ATOM 563 OE2 GLU A 36 -8.726 0.923 4.551 1.00 0.00 O ATOM 0 H GLU A 36 -4.205 -1.162 5.451 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.587 -1.174 2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.354 1.042 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.375 1.215 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.011 -0.691 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.003 -0.833 4.336 1.00 0.00 H new ATOM 570 N VAL A 37 -2.560 0.286 2.148 1.00 0.00 N ATOM 571 CA VAL A 37 -1.262 0.943 1.937 1.00 0.00 C ATOM 572 C VAL A 37 -1.453 2.164 1.030 1.00 0.00 C ATOM 573 O VAL A 37 -2.103 2.065 -0.015 1.00 0.00 O ATOM 574 CB VAL A 37 -0.237 -0.044 1.316 1.00 0.00 C ATOM 575 CG1 VAL A 37 1.124 0.648 1.124 1.00 0.00 C ATOM 576 CG2 VAL A 37 -0.055 -1.253 2.242 1.00 0.00 C ATOM 0 H VAL A 37 -3.052 0.045 1.288 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.868 1.268 2.900 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.615 -0.371 0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.832 -0.057 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.007 1.503 0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.499 0.988 2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.665 -1.943 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.311 -0.916 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.011 -1.760 2.371 1.00 0.00 H new ATOM 586 N ARG A 38 -0.919 3.324 1.457 1.00 0.00 N ATOM 587 CA ARG A 38 -1.088 4.568 0.679 1.00 0.00 C ATOM 588 C ARG A 38 0.247 5.233 0.333 1.00 0.00 C ATOM 589 O ARG A 38 1.186 5.240 1.136 1.00 0.00 O ATOM 590 CB ARG A 38 -1.965 5.555 1.452 1.00 0.00 C ATOM 591 CG ARG A 38 -3.380 4.987 1.587 1.00 0.00 C ATOM 592 CD ARG A 38 -4.277 6.015 2.280 1.00 0.00 C ATOM 593 NE ARG A 38 -5.653 5.495 2.406 1.00 0.00 N ATOM 594 CZ ARG A 38 -6.049 4.678 3.416 1.00 0.00 C ATOM 595 NH1 ARG A 38 -5.209 4.296 4.360 1.00 0.00 N ATOM 596 NH2 ARG A 38 -7.286 4.264 3.455 1.00 0.00 N ATOM 0 H ARG A 38 -0.379 3.427 2.316 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.569 4.292 -0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.540 5.739 2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.995 6.514 0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.781 4.743 0.603 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.359 4.061 2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.878 6.249 3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.283 6.944 1.710 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.339 5.762 1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.240 4.615 4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.529 3.682 5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.944 4.554 2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.595 3.650 4.209 1.00 0.00 H new ATOM 610 N TRP A 39 0.288 5.837 -0.866 1.00 0.00 N ATOM 611 CA TRP A 39 1.462 6.573 -1.348 1.00 0.00 C ATOM 612 C TRP A 39 1.055 8.034 -1.642 1.00 0.00 C ATOM 613 O TRP A 39 -0.048 8.281 -2.151 1.00 0.00 O ATOM 614 CB TRP A 39 1.999 5.919 -2.635 1.00 0.00 C ATOM 615 CG TRP A 39 2.531 4.541 -2.342 1.00 0.00 C ATOM 616 CD1 TRP A 39 3.829 4.242 -2.096 1.00 0.00 C ATOM 617 CD2 TRP A 39 1.806 3.277 -2.273 1.00 0.00 C ATOM 618 NE1 TRP A 39 3.942 2.882 -1.874 1.00 0.00 N ATOM 619 CE2 TRP A 39 2.725 2.244 -1.972 1.00 0.00 C ATOM 620 CE3 TRP A 39 0.453 2.930 -2.437 1.00 0.00 C ATOM 621 CZ2 TRP A 39 2.321 0.918 -1.842 1.00 0.00 C ATOM 622 CZ3 TRP A 39 0.040 1.591 -2.305 1.00 0.00 C ATOM 623 CH2 TRP A 39 0.974 0.588 -2.008 1.00 0.00 C ATOM 0 H TRP A 39 -0.491 5.827 -1.525 1.00 0.00 H new ATOM 0 HA TRP A 39 2.242 6.552 -0.587 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.204 5.858 -3.378 1.00 0.00 H new ATOM 0 HB3 TRP A 39 2.789 6.537 -3.062 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.644 4.951 -2.076 1.00 0.00 H new ATOM 0 HE1 TRP A 39 4.820 2.408 -1.663 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.274 3.696 -2.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.045 0.149 -1.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.001 1.335 -2.433 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.652 -0.438 -1.908 1.00 0.00 H new ATOM 634 N TYR A 40 1.924 9.002 -1.280 1.00 0.00 N ATOM 635 CA TYR A 40 1.600 10.440 -1.476 1.00 0.00 C ATOM 636 C TYR A 40 2.733 11.182 -2.190 1.00 0.00 C ATOM 637 O TYR A 40 3.856 11.231 -1.690 1.00 0.00 O ATOM 638 CB TYR A 40 1.359 11.113 -0.111 1.00 0.00 C ATOM 639 CG TYR A 40 0.232 10.421 0.630 1.00 0.00 C ATOM 640 CD1 TYR A 40 0.526 9.383 1.519 1.00 0.00 C ATOM 641 CD2 TYR A 40 -1.094 10.817 0.431 1.00 0.00 C ATOM 642 CE1 TYR A 40 -0.502 8.741 2.211 1.00 0.00 C ATOM 643 CE2 TYR A 40 -2.125 10.175 1.124 1.00 0.00 C ATOM 644 CZ TYR A 40 -1.830 9.136 2.014 1.00 0.00 C ATOM 645 OH TYR A 40 -2.847 8.501 2.696 1.00 0.00 O ATOM 0 H TYR A 40 2.836 8.825 -0.859 1.00 0.00 H new ATOM 0 HA TYR A 40 0.703 10.491 -2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.271 11.076 0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.115 12.165 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.551 9.077 1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.322 11.618 -0.257 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.273 7.940 2.898 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.150 10.481 0.972 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.707 8.898 2.445 1.00 0.00 H new ATOM 655 N ARG A 41 2.404 11.854 -3.301 1.00 0.00 N ATOM 656 CA ARG A 41 3.391 12.672 -4.018 1.00 0.00 C ATOM 657 C ARG A 41 3.551 14.032 -3.337 1.00 0.00 C ATOM 658 O ARG A 41 2.950 15.025 -3.744 1.00 0.00 O ATOM 659 CB ARG A 41 3.015 12.816 -5.518 1.00 0.00 C ATOM 660 CG ARG A 41 1.595 13.398 -5.693 1.00 0.00 C ATOM 661 CD ARG A 41 1.264 13.465 -7.186 1.00 0.00 C ATOM 662 NE ARG A 41 -0.089 14.021 -7.390 1.00 0.00 N ATOM 663 CZ ARG A 41 -0.651 14.175 -8.619 1.00 0.00 C ATOM 664 NH1 ARG A 41 -0.008 13.826 -9.717 1.00 0.00 N ATOM 665 NH2 ARG A 41 -1.851 14.680 -8.715 1.00 0.00 N ATOM 0 H ARG A 41 1.474 11.848 -3.719 1.00 0.00 H new ATOM 0 HA ARG A 41 4.355 12.166 -3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.738 13.463 -6.015 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.072 11.842 -6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.866 12.776 -5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.538 14.392 -5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.999 14.084 -7.700 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.324 12.468 -7.623 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.627 14.303 -6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.931 13.431 -9.655 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.449 13.951 -10.628 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.358 14.955 -7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.282 14.800 -9.632 1.00 0.00 H new ATOM 679 N SER A 42 4.327 14.047 -2.235 1.00 0.00 N ATOM 680 CA SER A 42 4.507 15.270 -1.431 1.00 0.00 C ATOM 681 C SER A 42 3.144 15.912 -1.083 1.00 0.00 C ATOM 682 O SER A 42 3.073 17.106 -0.779 1.00 0.00 O ATOM 683 CB SER A 42 5.401 16.282 -2.164 1.00 0.00 C ATOM 684 OG SER A 42 5.122 16.253 -3.558 1.00 0.00 O ATOM 0 H SER A 42 4.834 13.234 -1.885 1.00 0.00 H new ATOM 0 HA SER A 42 4.999 14.985 -0.501 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.229 17.284 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.451 16.047 -1.989 1.00 0.00 H new ATOM 0 HG SER A 42 4.156 16.162 -3.696 1.00 0.00 H new ATOM 690 N ASP A 43 2.070 15.100 -1.138 1.00 0.00 N ATOM 691 CA ASP A 43 0.718 15.563 -0.841 1.00 0.00 C ATOM 692 C ASP A 43 -0.019 14.528 0.052 1.00 0.00 C ATOM 693 O ASP A 43 -0.670 13.619 -0.475 1.00 0.00 O ATOM 694 CB ASP A 43 -0.064 15.772 -2.154 1.00 0.00 C ATOM 695 CG ASP A 43 -1.408 16.490 -1.902 1.00 0.00 C ATOM 696 OD1 ASP A 43 -1.881 16.480 -0.769 1.00 0.00 O ATOM 697 OD2 ASP A 43 -1.942 17.042 -2.850 1.00 0.00 O ATOM 0 H ASP A 43 2.124 14.113 -1.389 1.00 0.00 H new ATOM 0 HA ASP A 43 0.780 16.510 -0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.538 16.358 -2.849 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.248 14.807 -2.627 1.00 0.00 H new ATOM 702 N PRO A 44 0.093 14.618 1.396 1.00 0.00 N ATOM 703 CA PRO A 44 -0.559 13.625 2.324 1.00 0.00 C ATOM 704 C PRO A 44 -2.094 13.644 2.245 1.00 0.00 C ATOM 705 O PRO A 44 -2.750 12.678 2.647 1.00 0.00 O ATOM 706 CB PRO A 44 -0.080 14.056 3.719 1.00 0.00 C ATOM 707 CG PRO A 44 0.280 15.497 3.577 1.00 0.00 C ATOM 708 CD PRO A 44 0.836 15.655 2.168 1.00 0.00 C ATOM 0 HA PRO A 44 -0.286 12.602 2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.862 13.917 4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.777 13.465 4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.592 16.133 3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.019 15.790 4.323 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.659 16.656 1.774 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.912 15.487 2.138 1.00 0.00 H new ATOM 716 N ASP A 45 -2.655 14.758 1.756 1.00 0.00 N ATOM 717 CA ASP A 45 -4.119 14.911 1.666 1.00 0.00 C ATOM 718 C ASP A 45 -4.688 14.443 0.308 1.00 0.00 C ATOM 719 O ASP A 45 -5.905 14.499 0.100 1.00 0.00 O ATOM 720 CB ASP A 45 -4.509 16.371 1.905 1.00 0.00 C ATOM 721 CG ASP A 45 -4.043 16.822 3.286 1.00 0.00 C ATOM 722 OD1 ASP A 45 -2.939 17.331 3.380 1.00 0.00 O ATOM 723 OD2 ASP A 45 -4.799 16.652 4.228 1.00 0.00 O ATOM 0 H ASP A 45 -2.125 15.562 1.419 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.550 14.273 2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.063 17.004 1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.590 16.484 1.823 1.00 0.00 H new ATOM 728 N MET A 46 -3.809 14.008 -0.615 1.00 0.00 N ATOM 729 CA MET A 46 -4.249 13.566 -1.947 1.00 0.00 C ATOM 730 C MET A 46 -3.590 12.210 -2.349 1.00 0.00 C ATOM 731 O MET A 46 -2.577 12.203 -3.061 1.00 0.00 O ATOM 732 CB MET A 46 -3.923 14.651 -2.991 1.00 0.00 C ATOM 733 CG MET A 46 -4.559 14.294 -4.340 1.00 0.00 C ATOM 734 SD MET A 46 -6.365 14.349 -4.199 1.00 0.00 S ATOM 735 CE MET A 46 -6.532 16.149 -4.133 1.00 0.00 C ATOM 0 H MET A 46 -2.802 13.954 -0.463 1.00 0.00 H new ATOM 0 HA MET A 46 -5.327 13.409 -1.913 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.294 15.618 -2.650 1.00 0.00 H new ATOM 0 HB3 MET A 46 -2.843 14.746 -3.103 1.00 0.00 H new ATOM 0 HG2 MET A 46 -4.223 14.992 -5.107 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.239 13.300 -4.652 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.517 16.437 -4.500 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.416 16.488 -3.104 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.764 16.609 -4.755 1.00 0.00 H new ATOM 745 N PRO A 47 -4.155 11.053 -1.927 1.00 0.00 N ATOM 746 CA PRO A 47 -3.594 9.706 -2.304 1.00 0.00 C ATOM 747 C PRO A 47 -3.569 9.516 -3.822 1.00 0.00 C ATOM 748 O PRO A 47 -4.532 9.875 -4.510 1.00 0.00 O ATOM 749 CB PRO A 47 -4.576 8.711 -1.659 1.00 0.00 C ATOM 750 CG PRO A 47 -5.234 9.472 -0.559 1.00 0.00 C ATOM 751 CD PRO A 47 -5.359 10.903 -1.062 1.00 0.00 C ATOM 0 HA PRO A 47 -2.565 9.578 -1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.308 8.354 -2.384 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.054 7.835 -1.275 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.213 9.053 -0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.642 9.429 0.355 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.281 11.056 -1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.361 11.622 -0.242 1.00 0.00 H new ATOM 759 N VAL A 48 -2.480 8.923 -4.339 1.00 0.00 N ATOM 760 CA VAL A 48 -2.365 8.660 -5.786 1.00 0.00 C ATOM 761 C VAL A 48 -2.928 7.276 -6.137 1.00 0.00 C ATOM 762 O VAL A 48 -3.590 7.104 -7.163 1.00 0.00 O ATOM 763 CB VAL A 48 -0.896 8.782 -6.256 1.00 0.00 C ATOM 764 CG1 VAL A 48 -0.396 10.207 -6.008 1.00 0.00 C ATOM 765 CG2 VAL A 48 -0.004 7.792 -5.490 1.00 0.00 C ATOM 0 H VAL A 48 -1.677 8.620 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.954 9.413 -6.310 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.849 8.552 -7.320 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.639 10.292 -6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.014 10.912 -6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.456 10.434 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.026 7.890 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.054 8.008 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.351 6.775 -5.671 1.00 0.00 H new ATOM 775 N ILE A 49 -2.672 6.307 -5.257 1.00 0.00 N ATOM 776 CA ILE A 49 -3.154 4.936 -5.423 1.00 0.00 C ATOM 777 C ILE A 49 -2.962 4.175 -4.100 1.00 0.00 C ATOM 778 O ILE A 49 -2.121 4.571 -3.284 1.00 0.00 O ATOM 779 CB ILE A 49 -2.425 4.247 -6.633 1.00 0.00 C ATOM 780 CG1 ILE A 49 -3.207 3.000 -7.122 1.00 0.00 C ATOM 781 CG2 ILE A 49 -0.983 3.841 -6.272 1.00 0.00 C ATOM 782 CD1 ILE A 49 -4.542 3.425 -7.754 1.00 0.00 C ATOM 0 H ILE A 49 -2.124 6.451 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.218 4.931 -5.659 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.387 4.982 -7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.610 2.450 -7.850 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.391 2.326 -6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.512 3.368 -7.134 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.415 4.728 -5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.000 3.140 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.082 2.541 -8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.142 3.955 -7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.350 4.081 -8.603 1.00 0.00 H new ATOM 794 N MET A 50 -3.767 3.127 -3.865 1.00 0.00 N ATOM 795 CA MET A 50 -3.680 2.382 -2.598 1.00 0.00 C ATOM 796 C MET A 50 -3.881 0.878 -2.784 1.00 0.00 C ATOM 797 O MET A 50 -4.579 0.436 -3.701 1.00 0.00 O ATOM 798 CB MET A 50 -4.694 2.937 -1.578 1.00 0.00 C ATOM 799 CG MET A 50 -6.126 2.790 -2.118 1.00 0.00 C ATOM 800 SD MET A 50 -7.293 3.494 -0.928 1.00 0.00 S ATOM 801 CE MET A 50 -8.803 3.135 -1.856 1.00 0.00 C ATOM 0 H MET A 50 -4.470 2.782 -4.518 1.00 0.00 H new ATOM 0 HA MET A 50 -2.669 2.522 -2.216 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.598 2.404 -0.632 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.480 3.986 -1.376 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.218 3.298 -3.078 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.355 1.738 -2.290 1.00 0.00 H new ATOM 0 HE1 MET A 50 -9.666 3.507 -1.304 1.00 0.00 H new ATOM 0 HE2 MET A 50 -8.757 3.623 -2.829 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.898 2.058 -1.994 1.00 0.00 H new ATOM 811 N TYR A 51 -3.275 0.106 -1.875 1.00 0.00 N ATOM 812 CA TYR A 51 -3.384 -1.349 -1.884 1.00 0.00 C ATOM 813 C TYR A 51 -4.272 -1.789 -0.719 1.00 0.00 C ATOM 814 O TYR A 51 -3.882 -1.669 0.439 1.00 0.00 O ATOM 815 CB TYR A 51 -1.982 -1.947 -1.736 1.00 0.00 C ATOM 816 CG TYR A 51 -1.987 -3.426 -2.060 1.00 0.00 C ATOM 817 CD1 TYR A 51 -2.031 -3.846 -3.395 1.00 0.00 C ATOM 818 CD2 TYR A 51 -1.920 -4.374 -1.030 1.00 0.00 C ATOM 819 CE1 TYR A 51 -2.008 -5.210 -3.700 1.00 0.00 C ATOM 820 CE2 TYR A 51 -1.902 -5.737 -1.336 1.00 0.00 C ATOM 821 CZ TYR A 51 -1.944 -6.156 -2.671 1.00 0.00 C ATOM 822 OH TYR A 51 -1.916 -7.502 -2.973 1.00 0.00 O ATOM 0 H TYR A 51 -2.699 0.474 -1.118 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.827 -1.694 -2.818 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.289 -1.428 -2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.623 -1.795 -0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.083 -3.116 -4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.882 -4.051 -0.000 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.040 -5.534 -4.730 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.856 -6.468 -0.542 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.693 -7.729 -3.526 1.00 0.00 H new ATOM 832 N ARG A 52 -5.492 -2.232 -1.043 1.00 0.00 N ATOM 833 CA ARG A 52 -6.486 -2.614 -0.026 1.00 0.00 C ATOM 834 C ARG A 52 -6.982 -4.054 -0.222 1.00 0.00 C ATOM 835 O ARG A 52 -7.319 -4.464 -1.336 1.00 0.00 O ATOM 836 CB ARG A 52 -7.676 -1.615 -0.075 1.00 0.00 C ATOM 837 CG ARG A 52 -8.790 -2.009 0.925 1.00 0.00 C ATOM 838 CD ARG A 52 -9.925 -0.985 0.846 1.00 0.00 C ATOM 839 NE ARG A 52 -11.049 -1.391 1.710 1.00 0.00 N ATOM 840 CZ ARG A 52 -12.214 -0.694 1.792 1.00 0.00 C ATOM 841 NH1 ARG A 52 -12.406 0.408 1.090 1.00 0.00 N ATOM 842 NH2 ARG A 52 -13.159 -1.119 2.585 1.00 0.00 N ATOM 0 H ARG A 52 -5.818 -2.336 -2.004 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.009 -2.573 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.319 -0.611 0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.086 -1.585 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.167 -3.005 0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.389 -2.047 1.938 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.560 -0.004 1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.267 -0.891 -0.185 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.948 -2.235 2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.672 0.752 0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.288 0.915 1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.020 -1.966 3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.037 -0.604 2.654 1.00 0.00 H new ATOM 856 N ASP A 53 -7.071 -4.787 0.894 1.00 0.00 N ATOM 857 CA ASP A 53 -7.585 -6.159 0.888 1.00 0.00 C ATOM 858 C ASP A 53 -6.841 -7.025 -0.137 1.00 0.00 C ATOM 859 O ASP A 53 -7.450 -7.803 -0.890 1.00 0.00 O ATOM 860 CB ASP A 53 -9.106 -6.150 0.603 1.00 0.00 C ATOM 861 CG ASP A 53 -9.747 -7.522 0.904 1.00 0.00 C ATOM 862 OD1 ASP A 53 -9.034 -8.519 0.905 1.00 0.00 O ATOM 863 OD2 ASP A 53 -10.945 -7.549 1.131 1.00 0.00 O ATOM 0 H ASP A 53 -6.792 -4.450 1.815 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.414 -6.597 1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.586 -5.382 1.210 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.280 -5.887 -0.440 1.00 0.00 H new ATOM 868 N GLY A 54 -5.516 -6.905 -0.130 1.00 0.00 N ATOM 869 CA GLY A 54 -4.663 -7.699 -1.023 1.00 0.00 C ATOM 870 C GLY A 54 -4.795 -7.277 -2.502 1.00 0.00 C ATOM 871 O GLY A 54 -4.332 -7.998 -3.391 1.00 0.00 O ATOM 0 H GLY A 54 -5.006 -6.268 0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.623 -7.597 -0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.923 -8.753 -0.925 1.00 0.00 H new ATOM 875 N ALA A 55 -5.446 -6.123 -2.764 1.00 0.00 N ATOM 876 CA ALA A 55 -5.634 -5.648 -4.146 1.00 0.00 C ATOM 877 C ALA A 55 -5.633 -4.121 -4.228 1.00 0.00 C ATOM 878 O ALA A 55 -6.137 -3.446 -3.333 1.00 0.00 O ATOM 879 CB ALA A 55 -6.943 -6.193 -4.716 1.00 0.00 C ATOM 0 H ALA A 55 -5.843 -5.514 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.794 -6.016 -4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.072 -5.836 -5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.915 -7.283 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.777 -5.850 -4.104 1.00 0.00 H new ATOM 885 N GLU A 56 -5.104 -3.591 -5.341 1.00 0.00 N ATOM 886 CA GLU A 56 -5.072 -2.141 -5.577 1.00 0.00 C ATOM 887 C GLU A 56 -6.475 -1.625 -5.883 1.00 0.00 C ATOM 888 O GLU A 56 -7.278 -2.327 -6.509 1.00 0.00 O ATOM 889 CB GLU A 56 -4.125 -1.809 -6.734 1.00 0.00 C ATOM 890 CG GLU A 56 -3.881 -0.303 -6.788 1.00 0.00 C ATOM 891 CD GLU A 56 -2.901 0.017 -7.907 1.00 0.00 C ATOM 892 OE1 GLU A 56 -1.711 0.029 -7.641 1.00 0.00 O ATOM 893 OE2 GLU A 56 -3.354 0.247 -9.016 1.00 0.00 O ATOM 0 H GLU A 56 -4.693 -4.146 -6.092 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.706 -1.651 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.179 -2.335 -6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.553 -2.151 -7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.822 0.222 -6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.485 0.046 -5.834 1.00 0.00 H new ATOM 900 N VAL A 57 -6.775 -0.404 -5.415 1.00 0.00 N ATOM 901 CA VAL A 57 -8.099 0.190 -5.621 1.00 0.00 C ATOM 902 C VAL A 57 -8.445 0.253 -7.120 1.00 0.00 C ATOM 903 O VAL A 57 -7.783 0.955 -7.890 1.00 0.00 O ATOM 904 CB VAL A 57 -8.161 1.597 -4.970 1.00 0.00 C ATOM 905 CG1 VAL A 57 -7.152 2.543 -5.637 1.00 0.00 C ATOM 906 CG2 VAL A 57 -9.582 2.179 -5.102 1.00 0.00 C ATOM 0 H VAL A 57 -6.123 0.185 -4.896 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.844 -0.443 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.908 1.499 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.209 3.525 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.145 2.143 -5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.385 2.634 -6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.615 3.167 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.845 2.261 -6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.292 1.522 -4.601 1.00 0.00 H new ATOM 916 N THR A 58 -9.491 -0.486 -7.513 1.00 0.00 N ATOM 917 CA THR A 58 -9.937 -0.517 -8.911 1.00 0.00 C ATOM 918 C THR A 58 -10.567 0.815 -9.317 1.00 0.00 C ATOM 919 O THR A 58 -10.387 1.277 -10.447 1.00 0.00 O ATOM 920 CB THR A 58 -10.949 -1.652 -9.123 1.00 0.00 C ATOM 921 OG1 THR A 58 -12.058 -1.466 -8.254 1.00 0.00 O ATOM 922 CG2 THR A 58 -10.287 -3.003 -8.837 1.00 0.00 C ATOM 0 H THR A 58 -10.043 -1.069 -6.884 1.00 0.00 H new ATOM 0 HA THR A 58 -9.062 -0.692 -9.537 1.00 0.00 H new ATOM 0 HB THR A 58 -11.293 -1.639 -10.157 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.705 -2.189 -8.390 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.012 -3.803 -8.990 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.443 -3.145 -9.512 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.935 -3.025 -7.806 1.00 0.00 H new ATOM 930 N GLY A 59 -11.304 1.428 -8.383 1.00 0.00 N ATOM 931 CA GLY A 59 -11.959 2.714 -8.632 1.00 0.00 C ATOM 932 C GLY A 59 -12.822 2.655 -9.890 1.00 0.00 C ATOM 933 O GLY A 59 -13.582 1.704 -10.092 1.00 0.00 O ATOM 0 H GLY A 59 -11.461 1.052 -7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.577 2.983 -7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.206 3.495 -8.740 1.00 0.00 H new ATOM 937 N LEU A 60 -12.674 3.674 -10.742 1.00 0.00 N ATOM 938 CA LEU A 60 -13.411 3.750 -12.004 1.00 0.00 C ATOM 939 C LEU A 60 -12.822 2.763 -13.038 1.00 0.00 C ATOM 940 O LEU A 60 -11.655 2.378 -12.917 1.00 0.00 O ATOM 941 CB LEU A 60 -13.383 5.201 -12.580 1.00 0.00 C ATOM 942 CG LEU A 60 -14.287 6.194 -11.767 1.00 0.00 C ATOM 943 CD1 LEU A 60 -15.757 5.736 -11.769 1.00 0.00 C ATOM 944 CD2 LEU A 60 -13.789 6.339 -10.316 1.00 0.00 C ATOM 0 H LEU A 60 -12.046 4.461 -10.578 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.447 3.476 -11.803 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.357 5.568 -12.580 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.714 5.182 -13.618 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.222 7.165 -12.258 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -16.359 6.443 -11.198 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -16.123 5.693 -12.795 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.831 4.748 -11.315 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.434 7.033 -9.777 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.812 5.366 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.768 6.721 -10.318 1.00 0.00 H new ATOM 956 N PRO A 61 -13.601 2.332 -14.057 1.00 0.00 N ATOM 957 CA PRO A 61 -13.095 1.368 -15.095 1.00 0.00 C ATOM 958 C PRO A 61 -11.920 1.944 -15.902 1.00 0.00 C ATOM 959 O PRO A 61 -11.111 1.191 -16.454 1.00 0.00 O ATOM 960 CB PRO A 61 -14.313 1.121 -15.999 1.00 0.00 C ATOM 961 CG PRO A 61 -15.208 2.298 -15.782 1.00 0.00 C ATOM 962 CD PRO A 61 -15.015 2.710 -14.329 1.00 0.00 C ATOM 0 HA PRO A 61 -12.706 0.456 -14.643 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.017 1.039 -17.045 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.816 0.190 -15.736 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.950 3.114 -16.457 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -16.248 2.039 -15.979 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -15.181 3.778 -14.187 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -15.706 2.189 -13.667 1.00 0.00 H new ATOM 970 N MET A 62 -11.831 3.281 -15.951 1.00 0.00 N ATOM 971 CA MET A 62 -10.754 3.960 -16.672 1.00 0.00 C ATOM 972 C MET A 62 -9.394 3.619 -16.061 1.00 0.00 C ATOM 973 O MET A 62 -8.409 3.431 -16.781 1.00 0.00 O ATOM 974 CB MET A 62 -10.966 5.477 -16.635 1.00 0.00 C ATOM 975 CG MET A 62 -12.175 5.852 -17.494 1.00 0.00 C ATOM 976 SD MET A 62 -12.446 7.641 -17.395 1.00 0.00 S ATOM 977 CE MET A 62 -13.834 7.731 -18.555 1.00 0.00 C ATOM 0 H MET A 62 -12.494 3.910 -15.499 1.00 0.00 H new ATOM 0 HA MET A 62 -10.771 3.618 -17.707 1.00 0.00 H new ATOM 0 HB2 MET A 62 -11.122 5.807 -15.608 1.00 0.00 H new ATOM 0 HB3 MET A 62 -10.075 5.987 -17.002 1.00 0.00 H new ATOM 0 HG2 MET A 62 -12.007 5.555 -18.529 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.061 5.319 -17.149 1.00 0.00 H new ATOM 0 HE1 MET A 62 -14.166 8.765 -18.646 1.00 0.00 H new ATOM 0 HE2 MET A 62 -13.517 7.364 -19.531 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.656 7.117 -18.187 1.00 0.00 H new ATOM 987 N GLU A 63 -9.351 3.552 -14.724 1.00 0.00 N ATOM 988 CA GLU A 63 -8.115 3.244 -13.999 1.00 0.00 C ATOM 989 C GLU A 63 -7.002 4.238 -14.390 1.00 0.00 C ATOM 990 O GLU A 63 -5.895 3.844 -14.788 1.00 0.00 O ATOM 991 CB GLU A 63 -7.670 1.784 -14.291 1.00 0.00 C ATOM 992 CG GLU A 63 -7.084 1.135 -13.022 1.00 0.00 C ATOM 993 CD GLU A 63 -8.197 0.739 -12.047 1.00 0.00 C ATOM 994 OE1 GLU A 63 -9.267 0.356 -12.504 1.00 0.00 O ATOM 995 OE2 GLU A 63 -7.958 0.822 -10.853 1.00 0.00 O ATOM 0 H GLU A 63 -10.160 3.708 -14.123 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.303 3.341 -12.930 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.521 1.202 -14.645 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.926 1.777 -15.087 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.503 0.254 -13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.400 1.830 -12.536 1.00 0.00 H new ATOM 1002 N GLY A 64 -7.315 5.532 -14.278 1.00 0.00 N ATOM 1003 CA GLY A 64 -6.362 6.588 -14.620 1.00 0.00 C ATOM 1004 C GLY A 64 -5.117 6.514 -13.740 1.00 0.00 C ATOM 1005 O GLY A 64 -3.993 6.687 -14.222 1.00 0.00 O ATOM 0 H GLY A 64 -8.220 5.872 -13.953 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.076 6.498 -15.668 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.837 7.562 -14.502 1.00 0.00 H new ATOM 1009 N TYR A 65 -5.329 6.260 -12.442 1.00 0.00 N ATOM 1010 CA TYR A 65 -4.226 6.164 -11.480 1.00 0.00 C ATOM 1011 C TYR A 65 -3.770 4.718 -11.295 1.00 0.00 C ATOM 1012 O TYR A 65 -2.568 4.434 -11.295 1.00 0.00 O ATOM 1013 CB TYR A 65 -4.661 6.739 -10.131 1.00 0.00 C ATOM 1014 CG TYR A 65 -4.849 8.232 -10.255 1.00 0.00 C ATOM 1015 CD1 TYR A 65 -6.065 8.749 -10.718 1.00 0.00 C ATOM 1016 CD2 TYR A 65 -3.808 9.100 -9.907 1.00 0.00 C ATOM 1017 CE1 TYR A 65 -6.239 10.132 -10.831 1.00 0.00 C ATOM 1018 CE2 TYR A 65 -3.981 10.483 -10.020 1.00 0.00 C ATOM 1019 CZ TYR A 65 -5.196 11.000 -10.484 1.00 0.00 C ATOM 1020 OH TYR A 65 -5.368 12.365 -10.597 1.00 0.00 O ATOM 0 H TYR A 65 -6.254 6.118 -12.035 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.388 6.738 -11.874 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.590 6.271 -9.807 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.911 6.518 -9.371 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.869 8.080 -10.988 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.870 8.701 -9.551 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.178 10.531 -11.186 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.177 11.152 -9.749 1.00 0.00 H new ATOM 0 HH TYR A 65 -4.549 12.822 -10.315 1.00 0.00 H new ATOM 1030 N GLY A 66 -4.741 3.813 -11.118 1.00 0.00 N ATOM 1031 CA GLY A 66 -4.445 2.394 -10.907 1.00 0.00 C ATOM 1032 C GLY A 66 -3.725 1.792 -12.107 1.00 0.00 C ATOM 1033 O GLY A 66 -2.782 1.013 -11.946 1.00 0.00 O ATOM 0 H GLY A 66 -5.736 4.039 -11.117 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.829 2.278 -10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.372 1.850 -10.727 1.00 0.00 H new ATOM 1037 N GLY A 67 -4.179 2.155 -13.310 1.00 0.00 N ATOM 1038 CA GLY A 67 -3.581 1.654 -14.542 1.00 0.00 C ATOM 1039 C GLY A 67 -2.121 2.083 -14.650 1.00 0.00 C ATOM 1040 O GLY A 67 -1.263 1.305 -15.072 1.00 0.00 O ATOM 0 H GLY A 67 -4.960 2.795 -13.453 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.648 0.566 -14.568 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.139 2.028 -15.400 1.00 0.00 H new ATOM 1044 N ARG A 68 -1.860 3.342 -14.282 1.00 0.00 N ATOM 1045 CA ARG A 68 -0.515 3.911 -14.348 1.00 0.00 C ATOM 1046 C ARG A 68 0.447 3.202 -13.387 1.00 0.00 C ATOM 1047 O ARG A 68 1.615 2.980 -13.727 1.00 0.00 O ATOM 1048 CB ARG A 68 -0.564 5.417 -14.045 1.00 0.00 C ATOM 1049 CG ARG A 68 0.798 6.056 -14.355 1.00 0.00 C ATOM 1050 CD ARG A 68 0.715 7.572 -14.156 1.00 0.00 C ATOM 1051 NE ARG A 68 0.586 7.901 -12.726 1.00 0.00 N ATOM 1052 CZ ARG A 68 -0.551 8.381 -12.151 1.00 0.00 C ATOM 1053 NH1 ARG A 68 -1.658 8.575 -12.847 1.00 0.00 N ATOM 1054 NH2 ARG A 68 -0.546 8.661 -10.879 1.00 0.00 N ATOM 0 H ARG A 68 -2.569 3.987 -13.934 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.137 3.762 -15.359 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.343 5.892 -14.642 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.822 5.578 -12.998 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.564 5.636 -13.704 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.092 5.830 -15.380 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.607 8.047 -14.565 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.139 7.970 -14.705 1.00 0.00 H new ATOM 0 HE ARG A 68 1.401 7.760 -12.128 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.677 8.364 -13.845 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.493 8.936 -12.386 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.301 8.520 -10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.389 9.021 -10.433 1.00 0.00 H new ATOM 1068 N ALA A 69 -0.034 2.892 -12.165 1.00 0.00 N ATOM 1069 CA ALA A 69 0.816 2.258 -11.149 1.00 0.00 C ATOM 1070 C ALA A 69 0.401 0.813 -10.866 1.00 0.00 C ATOM 1071 O ALA A 69 -0.759 0.537 -10.558 1.00 0.00 O ATOM 1072 CB ALA A 69 0.777 3.069 -9.852 1.00 0.00 C ATOM 0 H ALA A 69 -0.993 3.069 -11.866 1.00 0.00 H new ATOM 0 HA ALA A 69 1.832 2.238 -11.544 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.410 2.591 -9.105 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.140 4.079 -10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.248 3.116 -9.483 1.00 0.00 H new ATOM 1078 N GLU A 70 1.385 -0.094 -10.921 1.00 0.00 N ATOM 1079 CA GLU A 70 1.159 -1.512 -10.624 1.00 0.00 C ATOM 1080 C GLU A 70 2.141 -1.979 -9.554 1.00 0.00 C ATOM 1081 O GLU A 70 3.300 -1.549 -9.541 1.00 0.00 O ATOM 1082 CB GLU A 70 1.331 -2.366 -11.893 1.00 0.00 C ATOM 1083 CG GLU A 70 0.314 -1.938 -12.980 1.00 0.00 C ATOM 1084 CD GLU A 70 0.893 -0.832 -13.892 1.00 0.00 C ATOM 1085 OE1 GLU A 70 1.883 -0.210 -13.516 1.00 0.00 O ATOM 1086 OE2 GLU A 70 0.335 -0.629 -14.958 1.00 0.00 O ATOM 0 H GLU A 70 2.348 0.132 -11.170 1.00 0.00 H new ATOM 0 HA GLU A 70 0.139 -1.631 -10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.346 -2.259 -12.275 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.191 -3.419 -11.651 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.040 -2.803 -13.584 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.599 -1.579 -12.505 1.00 0.00 H new ATOM 1093 N TRP A 71 1.669 -2.838 -8.643 1.00 0.00 N ATOM 1094 CA TRP A 71 2.511 -3.331 -7.544 1.00 0.00 C ATOM 1095 C TRP A 71 3.495 -4.398 -8.017 1.00 0.00 C ATOM 1096 O TRP A 71 3.094 -5.417 -8.589 1.00 0.00 O ATOM 1097 CB TRP A 71 1.643 -3.878 -6.388 1.00 0.00 C ATOM 1098 CG TRP A 71 0.768 -5.012 -6.865 1.00 0.00 C ATOM 1099 CD1 TRP A 71 1.101 -6.323 -6.809 1.00 0.00 C ATOM 1100 CD2 TRP A 71 -0.559 -4.952 -7.468 1.00 0.00 C ATOM 1101 NE1 TRP A 71 0.061 -7.071 -7.333 1.00 0.00 N ATOM 1102 CE2 TRP A 71 -0.983 -6.271 -7.753 1.00 0.00 C ATOM 1103 CE3 TRP A 71 -1.427 -3.893 -7.790 1.00 0.00 C ATOM 1104 CZ2 TRP A 71 -2.223 -6.532 -8.337 1.00 0.00 C ATOM 1105 CZ3 TRP A 71 -2.678 -4.153 -8.379 1.00 0.00 C ATOM 1106 CH2 TRP A 71 -3.073 -5.470 -8.651 1.00 0.00 C ATOM 0 H TRP A 71 0.717 -3.204 -8.643 1.00 0.00 H new ATOM 0 HA TRP A 71 3.090 -2.483 -7.178 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.285 -4.224 -5.578 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.022 -3.079 -5.984 1.00 0.00 H new ATOM 0 HD1 TRP A 71 2.027 -6.720 -6.419 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.065 -8.089 -7.401 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.132 -2.875 -7.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -2.523 -7.548 -8.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -3.338 -3.333 -8.623 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.035 -5.663 -9.103 1.00 0.00 H new ATOM 1117 N MET A 72 4.780 -4.167 -7.734 1.00 0.00 N ATOM 1118 CA MET A 72 5.828 -5.120 -8.079 1.00 0.00 C ATOM 1119 C MET A 72 6.802 -5.277 -6.907 1.00 0.00 C ATOM 1120 O MET A 72 7.688 -4.436 -6.713 1.00 0.00 O ATOM 1121 CB MET A 72 6.578 -4.650 -9.343 1.00 0.00 C ATOM 1122 CG MET A 72 7.619 -5.704 -9.767 1.00 0.00 C ATOM 1123 SD MET A 72 8.497 -5.132 -11.247 1.00 0.00 S ATOM 1124 CE MET A 72 7.160 -5.383 -12.449 1.00 0.00 C ATOM 0 H MET A 72 5.116 -3.325 -7.266 1.00 0.00 H new ATOM 0 HA MET A 72 5.372 -6.088 -8.286 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.869 -4.482 -10.154 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.072 -3.698 -9.149 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.327 -5.877 -8.956 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.127 -6.655 -9.969 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.582 -5.470 -13.450 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.617 -6.296 -12.204 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.477 -4.534 -12.416 1.00 0.00 H new ATOM 1134 N GLU A 73 6.650 -6.371 -6.156 1.00 0.00 N ATOM 1135 CA GLU A 73 7.539 -6.659 -5.026 1.00 0.00 C ATOM 1136 C GLU A 73 8.966 -6.855 -5.535 1.00 0.00 C ATOM 1137 O GLU A 73 9.173 -7.449 -6.599 1.00 0.00 O ATOM 1138 CB GLU A 73 7.069 -7.917 -4.283 1.00 0.00 C ATOM 1139 CG GLU A 73 7.886 -8.094 -2.981 1.00 0.00 C ATOM 1140 CD GLU A 73 7.429 -9.341 -2.184 1.00 0.00 C ATOM 1141 OE1 GLU A 73 6.559 -10.067 -2.662 1.00 0.00 O ATOM 1142 OE2 GLU A 73 7.960 -9.546 -1.106 1.00 0.00 O ATOM 0 H GLU A 73 5.923 -7.070 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 73 7.515 -5.818 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.008 -7.837 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.189 -8.793 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.944 -8.186 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.778 -7.205 -2.360 1.00 0.00 H new ATOM 1149 N ASP A 74 9.944 -6.329 -4.786 1.00 0.00 N ATOM 1150 CA ASP A 74 11.349 -6.427 -5.187 1.00 0.00 C ATOM 1151 C ASP A 74 11.911 -7.816 -4.891 1.00 0.00 C ATOM 1152 O ASP A 74 11.226 -8.661 -4.306 1.00 0.00 O ATOM 1153 CB ASP A 74 12.186 -5.355 -4.455 1.00 0.00 C ATOM 1154 CG ASP A 74 12.249 -5.617 -2.928 1.00 0.00 C ATOM 1155 OD1 ASP A 74 11.655 -6.587 -2.465 1.00 0.00 O ATOM 1156 OD2 ASP A 74 12.896 -4.838 -2.250 1.00 0.00 O ATOM 0 H ASP A 74 9.788 -5.836 -3.907 1.00 0.00 H new ATOM 0 HA ASP A 74 11.406 -6.257 -6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.197 -5.341 -4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.755 -4.370 -4.637 1.00 0.00 H new ATOM 1161 N SER A 75 13.157 -8.044 -5.315 1.00 0.00 N ATOM 1162 CA SER A 75 13.824 -9.339 -5.116 1.00 0.00 C ATOM 1163 C SER A 75 14.475 -9.457 -3.723 1.00 0.00 C ATOM 1164 O SER A 75 14.902 -10.549 -3.330 1.00 0.00 O ATOM 1165 CB SER A 75 14.882 -9.554 -6.196 1.00 0.00 C ATOM 1166 OG SER A 75 15.950 -8.636 -5.996 1.00 0.00 O ATOM 0 H SER A 75 13.727 -7.350 -5.799 1.00 0.00 H new ATOM 0 HA SER A 75 13.056 -10.109 -5.186 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.255 -10.578 -6.158 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.444 -9.411 -7.184 1.00 0.00 H new ATOM 0 HG SER A 75 16.632 -8.772 -6.686 1.00 0.00 H new ATOM 1172 N THR A 76 14.565 -8.332 -2.995 1.00 0.00 N ATOM 1173 CA THR A 76 15.187 -8.321 -1.668 1.00 0.00 C ATOM 1174 C THR A 76 14.383 -9.195 -0.690 1.00 0.00 C ATOM 1175 O THR A 76 14.962 -9.891 0.150 1.00 0.00 O ATOM 1176 CB THR A 76 15.283 -6.866 -1.147 1.00 0.00 C ATOM 1177 OG1 THR A 76 16.030 -6.090 -2.077 1.00 0.00 O ATOM 1178 CG2 THR A 76 16.006 -6.833 0.212 1.00 0.00 C ATOM 0 H THR A 76 14.216 -7.425 -3.304 1.00 0.00 H new ATOM 0 HA THR A 76 16.193 -8.735 -1.744 1.00 0.00 H new ATOM 0 HB THR A 76 14.277 -6.464 -1.031 1.00 0.00 H new ATOM 0 HG1 THR A 76 16.094 -5.166 -1.755 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.067 -5.804 0.567 1.00 0.00 H new ATOM 0 HG22 THR A 76 15.452 -7.434 0.933 1.00 0.00 H new ATOM 0 HG23 THR A 76 17.012 -7.238 0.099 1.00 0.00 H new ATOM 1186 N GLU A 77 13.050 -9.148 -0.809 1.00 0.00 N ATOM 1187 CA GLU A 77 12.155 -9.932 0.066 1.00 0.00 C ATOM 1188 C GLU A 77 12.346 -9.555 1.553 1.00 0.00 C ATOM 1189 O GLU A 77 11.999 -10.333 2.445 1.00 0.00 O ATOM 1190 CB GLU A 77 12.404 -11.439 -0.136 1.00 0.00 C ATOM 1191 CG GLU A 77 11.174 -12.248 0.313 1.00 0.00 C ATOM 1192 CD GLU A 77 11.399 -13.745 0.075 1.00 0.00 C ATOM 1193 OE1 GLU A 77 11.975 -14.090 -0.949 1.00 0.00 O ATOM 1194 OE2 GLU A 77 10.991 -14.524 0.920 1.00 0.00 O ATOM 0 H GLU A 77 12.563 -8.577 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 77 11.127 -9.697 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.618 -11.642 -1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.280 -11.749 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.979 -12.067 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.293 -11.915 -0.235 1.00 0.00 H new ATOM 1201 N GLU A 78 12.880 -8.350 1.800 1.00 0.00 N ATOM 1202 CA GLU A 78 13.096 -7.853 3.169 1.00 0.00 C ATOM 1203 C GLU A 78 11.772 -7.438 3.863 1.00 0.00 C ATOM 1204 O GLU A 78 11.792 -6.936 4.991 1.00 0.00 O ATOM 1205 CB GLU A 78 14.086 -6.671 3.157 1.00 0.00 C ATOM 1206 CG GLU A 78 13.513 -5.504 2.333 1.00 0.00 C ATOM 1207 CD GLU A 78 14.507 -4.340 2.285 1.00 0.00 C ATOM 1208 OE1 GLU A 78 15.135 -4.071 3.300 1.00 0.00 O ATOM 1209 OE2 GLU A 78 14.628 -3.735 1.231 1.00 0.00 O ATOM 0 H GLU A 78 13.171 -7.700 1.070 1.00 0.00 H new ATOM 0 HA GLU A 78 13.518 -8.675 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.283 -6.342 4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.039 -6.990 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.290 -5.841 1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.573 -5.169 2.771 1.00 0.00 H new ATOM 1216 N GLY A 79 10.639 -7.600 3.156 1.00 0.00 N ATOM 1217 CA GLY A 79 9.328 -7.185 3.678 1.00 0.00 C ATOM 1218 C GLY A 79 8.900 -5.804 3.126 1.00 0.00 C ATOM 1219 O GLY A 79 7.888 -5.237 3.565 1.00 0.00 O ATOM 0 H GLY A 79 10.607 -8.014 2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.579 -7.931 3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.366 -7.145 4.767 1.00 0.00 H new ATOM 1223 N SER A 80 9.671 -5.276 2.156 1.00 0.00 N ATOM 1224 CA SER A 80 9.358 -3.996 1.540 1.00 0.00 C ATOM 1225 C SER A 80 8.317 -4.168 0.448 1.00 0.00 C ATOM 1226 O SER A 80 8.135 -5.270 -0.082 1.00 0.00 O ATOM 1227 CB SER A 80 10.623 -3.370 0.955 1.00 0.00 C ATOM 1228 OG SER A 80 11.053 -4.140 -0.161 1.00 0.00 O ATOM 0 H SER A 80 10.511 -5.724 1.791 1.00 0.00 H new ATOM 0 HA SER A 80 8.954 -3.336 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.427 -2.342 0.649 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.408 -3.333 1.711 1.00 0.00 H new ATOM 0 HG SER A 80 11.900 -3.782 -0.499 1.00 0.00 H new ATOM 1234 N VAL A 81 7.666 -3.064 0.088 1.00 0.00 N ATOM 1235 CA VAL A 81 6.666 -3.065 -0.981 1.00 0.00 C ATOM 1236 C VAL A 81 7.068 -2.040 -2.026 1.00 0.00 C ATOM 1237 O VAL A 81 7.288 -0.878 -1.695 1.00 0.00 O ATOM 1238 CB VAL A 81 5.260 -2.734 -0.411 1.00 0.00 C ATOM 1239 CG1 VAL A 81 4.204 -2.751 -1.535 1.00 0.00 C ATOM 1240 CG2 VAL A 81 4.880 -3.768 0.659 1.00 0.00 C ATOM 0 H VAL A 81 7.813 -2.153 0.522 1.00 0.00 H new ATOM 0 HA VAL A 81 6.619 -4.054 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 81 5.290 -1.738 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.225 -2.517 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.464 -2.009 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.176 -3.740 -1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.893 -3.533 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.865 -4.763 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.612 -3.743 1.466 1.00 0.00 H new ATOM 1250 N ALA A 82 7.177 -2.483 -3.279 1.00 0.00 N ATOM 1251 CA ALA A 82 7.576 -1.601 -4.374 1.00 0.00 C ATOM 1252 C ALA A 82 6.425 -1.400 -5.356 1.00 0.00 C ATOM 1253 O ALA A 82 5.794 -2.365 -5.798 1.00 0.00 O ATOM 1254 CB ALA A 82 8.806 -2.183 -5.098 1.00 0.00 C ATOM 0 H ALA A 82 6.995 -3.446 -3.560 1.00 0.00 H new ATOM 0 HA ALA A 82 7.838 -0.629 -3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.097 -1.519 -5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.633 -2.276 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.560 -3.166 -5.501 1.00 0.00 H new ATOM 1260 N LEU A 83 6.175 -0.137 -5.702 1.00 0.00 N ATOM 1261 CA LEU A 83 5.121 0.221 -6.643 1.00 0.00 C ATOM 1262 C LEU A 83 5.742 0.804 -7.908 1.00 0.00 C ATOM 1263 O LEU A 83 6.456 1.811 -7.853 1.00 0.00 O ATOM 1264 CB LEU A 83 4.160 1.253 -5.993 1.00 0.00 C ATOM 1265 CG LEU A 83 3.020 1.658 -6.965 1.00 0.00 C ATOM 1266 CD1 LEU A 83 2.088 0.462 -7.233 1.00 0.00 C ATOM 1267 CD2 LEU A 83 2.214 2.808 -6.352 1.00 0.00 C ATOM 0 H LEU A 83 6.696 0.661 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 83 4.552 -0.671 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.732 0.831 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.721 2.140 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 83 3.460 1.976 -7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.295 0.765 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.660 -0.352 -7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.649 0.125 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.413 3.094 -7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.786 2.487 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.869 3.662 -6.184 1.00 0.00 H new ATOM 1279 N LYS A 84 5.453 0.172 -9.042 1.00 0.00 N ATOM 1280 CA LYS A 84 5.966 0.625 -10.327 1.00 0.00 C ATOM 1281 C LYS A 84 4.992 1.635 -10.933 1.00 0.00 C ATOM 1282 O LYS A 84 3.836 1.305 -11.178 1.00 0.00 O ATOM 1283 CB LYS A 84 6.131 -0.585 -11.265 1.00 0.00 C ATOM 1284 CG LYS A 84 6.766 -0.150 -12.596 1.00 0.00 C ATOM 1285 CD LYS A 84 6.935 -1.373 -13.503 1.00 0.00 C ATOM 1286 CE LYS A 84 7.530 -0.942 -14.847 1.00 0.00 C ATOM 1287 NZ LYS A 84 8.902 -0.395 -14.637 1.00 0.00 N ATOM 0 H LYS A 84 4.863 -0.659 -9.095 1.00 0.00 H new ATOM 0 HA LYS A 84 6.936 1.104 -10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.754 -1.341 -10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.160 -1.044 -11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.138 0.595 -13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.733 0.318 -12.414 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.586 -2.105 -13.025 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.971 -1.857 -13.660 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.567 -1.792 -15.528 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.895 -0.188 -15.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.911 0.619 -14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.179 -0.525 -13.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.574 -0.897 -15.252 1.00 0.00 H new ATOM 1301 N ILE A 85 5.472 2.866 -11.166 1.00 0.00 N ATOM 1302 CA ILE A 85 4.634 3.932 -11.735 1.00 0.00 C ATOM 1303 C ILE A 85 5.238 4.447 -13.046 1.00 0.00 C ATOM 1304 O ILE A 85 6.448 4.659 -13.140 1.00 0.00 O ATOM 1305 CB ILE A 85 4.460 5.075 -10.701 1.00 0.00 C ATOM 1306 CG1 ILE A 85 3.489 6.144 -11.246 1.00 0.00 C ATOM 1307 CG2 ILE A 85 5.821 5.719 -10.378 1.00 0.00 C ATOM 1308 CD1 ILE A 85 3.011 7.042 -10.095 1.00 0.00 C ATOM 0 H ILE A 85 6.433 3.147 -10.970 1.00 0.00 H new ATOM 0 HA ILE A 85 3.648 3.529 -11.964 1.00 0.00 H new ATOM 0 HB ILE A 85 4.045 4.653 -9.786 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.985 6.745 -12.008 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.635 5.664 -11.725 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.682 6.519 -9.651 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.491 4.965 -9.964 1.00 0.00 H new ATOM 0 HG23 ILE A 85 6.255 6.129 -11.290 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.326 7.796 -10.482 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.499 6.435 -9.349 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.869 7.533 -9.636 1.00 0.00 H new ATOM 1320 N ARG A 86 4.385 4.587 -14.065 1.00 0.00 N ATOM 1321 CA ARG A 86 4.828 5.000 -15.398 1.00 0.00 C ATOM 1322 C ARG A 86 4.562 6.485 -15.652 1.00 0.00 C ATOM 1323 O ARG A 86 3.639 7.069 -15.080 1.00 0.00 O ATOM 1324 CB ARG A 86 4.110 4.162 -16.455 1.00 0.00 C ATOM 1325 CG ARG A 86 4.549 2.700 -16.343 1.00 0.00 C ATOM 1326 CD ARG A 86 3.762 1.858 -17.347 1.00 0.00 C ATOM 1327 NE ARG A 86 4.174 0.442 -17.274 1.00 0.00 N ATOM 1328 CZ ARG A 86 3.640 -0.529 -18.062 1.00 0.00 C ATOM 1329 NH1 ARG A 86 2.704 -0.253 -18.953 1.00 0.00 N ATOM 1330 NH2 ARG A 86 4.059 -1.758 -17.935 1.00 0.00 N ATOM 0 H ARG A 86 3.382 4.420 -13.991 1.00 0.00 H new ATOM 0 HA ARG A 86 5.905 4.841 -15.458 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.031 4.239 -16.322 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.336 4.544 -17.451 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.618 2.613 -16.537 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.378 2.334 -15.331 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.695 1.943 -17.143 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.925 2.238 -18.355 1.00 0.00 H new ATOM 0 HE ARG A 86 4.894 0.180 -16.600 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.368 0.704 -19.060 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.317 -0.997 -19.534 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.780 -1.983 -17.250 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.665 -2.494 -18.521 1.00 0.00 H new ATOM 1344 N GLN A 87 5.364 7.074 -16.550 1.00 0.00 N ATOM 1345 CA GLN A 87 5.211 8.482 -16.936 1.00 0.00 C ATOM 1346 C GLN A 87 5.336 9.414 -15.720 1.00 0.00 C ATOM 1347 O GLN A 87 4.422 10.178 -15.387 1.00 0.00 O ATOM 1348 CB GLN A 87 3.878 8.687 -17.681 1.00 0.00 C ATOM 1349 CG GLN A 87 3.996 8.081 -19.088 1.00 0.00 C ATOM 1350 CD GLN A 87 3.995 6.558 -19.003 1.00 0.00 C ATOM 1351 OE1 GLN A 87 2.997 5.960 -18.600 1.00 0.00 O ATOM 1352 NE2 GLN A 87 5.079 5.891 -19.317 1.00 0.00 N ATOM 0 H GLN A 87 6.129 6.593 -17.024 1.00 0.00 H new ATOM 0 HA GLN A 87 6.021 8.744 -17.616 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.063 8.213 -17.133 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.642 9.749 -17.747 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.167 8.419 -19.709 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.913 8.426 -19.566 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.905 6.388 -19.651 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.097 4.875 -19.228 1.00 0.00 H new ATOM 1361 N VAL A 88 6.489 9.325 -15.070 1.00 0.00 N ATOM 1362 CA VAL A 88 6.812 10.123 -13.881 1.00 0.00 C ATOM 1363 C VAL A 88 6.923 11.613 -14.247 1.00 0.00 C ATOM 1364 O VAL A 88 7.222 11.960 -15.393 1.00 0.00 O ATOM 1365 CB VAL A 88 8.130 9.608 -13.251 1.00 0.00 C ATOM 1366 CG1 VAL A 88 8.463 10.406 -11.979 1.00 0.00 C ATOM 1367 CG2 VAL A 88 8.000 8.101 -12.899 1.00 0.00 C ATOM 0 H VAL A 88 7.238 8.692 -15.351 1.00 0.00 H new ATOM 0 HA VAL A 88 6.010 10.018 -13.150 1.00 0.00 H new ATOM 0 HB VAL A 88 8.934 9.741 -13.975 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.392 10.032 -11.548 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.578 11.460 -12.231 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.655 10.292 -11.256 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.932 7.749 -12.457 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.186 7.962 -12.188 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.791 7.532 -13.805 1.00 0.00 H new ATOM 1377 N GLN A 89 6.616 12.479 -13.271 1.00 0.00 N ATOM 1378 CA GLN A 89 6.612 13.941 -13.500 1.00 0.00 C ATOM 1379 C GLN A 89 7.073 14.761 -12.250 1.00 0.00 C ATOM 1380 O GLN A 89 7.253 14.197 -11.154 1.00 0.00 O ATOM 1381 CB GLN A 89 5.226 14.477 -14.049 1.00 0.00 C ATOM 1382 CG GLN A 89 4.035 13.520 -13.762 1.00 0.00 C ATOM 1383 CD GLN A 89 3.556 13.688 -12.334 1.00 0.00 C ATOM 1384 OE1 GLN A 89 2.406 14.059 -12.106 1.00 0.00 O ATOM 1385 NE2 GLN A 89 4.377 13.461 -11.356 1.00 0.00 N ATOM 0 H GLN A 89 6.368 12.201 -12.321 1.00 0.00 H new ATOM 0 HA GLN A 89 7.355 14.102 -14.281 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.018 15.448 -13.601 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.306 14.633 -15.125 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.218 13.728 -14.453 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.341 12.487 -13.931 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.330 13.153 -11.551 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.070 13.590 -10.392 1.00 0.00 H new ATOM 1394 N PRO A 90 7.336 16.085 -12.407 1.00 0.00 N ATOM 1395 CA PRO A 90 7.852 16.943 -11.287 1.00 0.00 C ATOM 1396 C PRO A 90 7.034 16.815 -10.002 1.00 0.00 C ATOM 1397 O PRO A 90 7.603 16.854 -8.907 1.00 0.00 O ATOM 1398 CB PRO A 90 7.757 18.360 -11.855 1.00 0.00 C ATOM 1399 CG PRO A 90 7.927 18.180 -13.321 1.00 0.00 C ATOM 1400 CD PRO A 90 7.180 16.898 -13.657 1.00 0.00 C ATOM 0 HA PRO A 90 8.860 16.652 -10.991 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.797 18.820 -11.619 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.530 19.007 -11.441 1.00 0.00 H new ATOM 0 HG2 PRO A 90 7.520 19.028 -13.871 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.981 18.103 -13.588 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.132 17.089 -13.887 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.610 16.395 -14.523 1.00 0.00 H new ATOM 1408 N SER A 91 5.703 16.666 -10.129 1.00 0.00 N ATOM 1409 CA SER A 91 4.853 16.538 -8.939 1.00 0.00 C ATOM 1410 C SER A 91 5.239 15.293 -8.129 1.00 0.00 C ATOM 1411 O SER A 91 5.206 15.320 -6.894 1.00 0.00 O ATOM 1412 CB SER A 91 3.368 16.503 -9.314 1.00 0.00 C ATOM 1413 OG SER A 91 3.094 15.337 -10.064 1.00 0.00 O ATOM 0 H SER A 91 5.206 16.632 -11.019 1.00 0.00 H new ATOM 0 HA SER A 91 5.017 17.418 -8.317 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.755 16.520 -8.413 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.108 17.389 -9.893 1.00 0.00 H new ATOM 0 HG SER A 91 2.723 15.588 -10.935 1.00 0.00 H new ATOM 1419 N ASP A 92 5.699 14.229 -8.830 1.00 0.00 N ATOM 1420 CA ASP A 92 6.196 13.023 -8.146 1.00 0.00 C ATOM 1421 C ASP A 92 7.456 13.352 -7.352 1.00 0.00 C ATOM 1422 O ASP A 92 7.676 12.813 -6.264 1.00 0.00 O ATOM 1423 CB ASP A 92 6.494 11.888 -9.147 1.00 0.00 C ATOM 1424 CG ASP A 92 5.199 11.270 -9.715 1.00 0.00 C ATOM 1425 OD1 ASP A 92 4.133 11.503 -9.152 1.00 0.00 O ATOM 1426 OD2 ASP A 92 5.296 10.570 -10.711 1.00 0.00 O ATOM 0 H ASP A 92 5.734 14.185 -9.848 1.00 0.00 H new ATOM 0 HA ASP A 92 5.415 12.681 -7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 92 7.101 12.275 -9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 92 7.081 11.113 -8.654 1.00 0.00 H new ATOM 1431 N ASP A 93 8.286 14.251 -7.911 1.00 0.00 N ATOM 1432 CA ASP A 93 9.541 14.669 -7.259 1.00 0.00 C ATOM 1433 C ASP A 93 9.276 15.097 -5.823 1.00 0.00 C ATOM 1434 O ASP A 93 8.344 15.863 -5.555 1.00 0.00 O ATOM 1435 CB ASP A 93 10.165 15.850 -8.025 1.00 0.00 C ATOM 1436 CG ASP A 93 11.629 16.081 -7.598 1.00 0.00 C ATOM 1437 OD1 ASP A 93 11.980 15.721 -6.480 1.00 0.00 O ATOM 1438 OD2 ASP A 93 12.375 16.615 -8.401 1.00 0.00 O ATOM 0 H ASP A 93 8.111 14.701 -8.810 1.00 0.00 H new ATOM 0 HA ASP A 93 10.227 13.822 -7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.122 15.655 -9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.583 16.753 -7.842 1.00 0.00 H new ATOM 1443 N GLY A 94 10.089 14.578 -4.902 1.00 0.00 N ATOM 1444 CA GLY A 94 9.939 14.881 -3.483 1.00 0.00 C ATOM 1445 C GLY A 94 9.914 13.602 -2.664 1.00 0.00 C ATOM 1446 O GLY A 94 10.474 12.579 -3.071 1.00 0.00 O ATOM 0 H GLY A 94 10.859 13.945 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.761 15.515 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.018 15.442 -3.320 1.00 0.00 H new ATOM 1450 N GLN A 95 9.264 13.667 -1.504 1.00 0.00 N ATOM 1451 CA GLN A 95 9.155 12.512 -0.615 1.00 0.00 C ATOM 1452 C GLN A 95 7.711 12.043 -0.515 1.00 0.00 C ATOM 1453 O GLN A 95 6.775 12.854 -0.614 1.00 0.00 O ATOM 1454 CB GLN A 95 9.684 12.858 0.786 1.00 0.00 C ATOM 1455 CG GLN A 95 11.170 13.244 0.713 1.00 0.00 C ATOM 1456 CD GLN A 95 11.324 14.677 0.212 1.00 0.00 C ATOM 1457 OE1 GLN A 95 10.611 15.574 0.664 1.00 0.00 O ATOM 1458 NE2 GLN A 95 12.218 14.947 -0.700 1.00 0.00 N ATOM 0 H GLN A 95 8.804 14.509 -1.157 1.00 0.00 H new ATOM 0 HA GLN A 95 9.758 11.707 -1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.107 13.682 1.207 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.555 12.005 1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.627 13.145 1.698 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.697 12.561 0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.807 14.203 -1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.327 15.902 -1.040 1.00 0.00 H new ATOM 1467 N TYR A 96 7.529 10.735 -0.272 1.00 0.00 N ATOM 1468 CA TYR A 96 6.185 10.175 -0.093 1.00 0.00 C ATOM 1469 C TYR A 96 6.093 9.470 1.262 1.00 0.00 C ATOM 1470 O TYR A 96 7.035 8.784 1.669 1.00 0.00 O ATOM 1471 CB TYR A 96 5.793 9.207 -1.288 1.00 0.00 C ATOM 1472 CG TYR A 96 6.208 7.761 -1.038 1.00 0.00 C ATOM 1473 CD1 TYR A 96 5.382 6.943 -0.255 1.00 0.00 C ATOM 1474 CD2 TYR A 96 7.386 7.251 -1.578 1.00 0.00 C ATOM 1475 CE1 TYR A 96 5.737 5.624 -0.011 1.00 0.00 C ATOM 1476 CE2 TYR A 96 7.736 5.919 -1.331 1.00 0.00 C ATOM 1477 CZ TYR A 96 6.911 5.113 -0.549 1.00 0.00 C ATOM 1478 OH TYR A 96 7.265 3.821 -0.303 1.00 0.00 O ATOM 0 H TYR A 96 8.286 10.056 -0.196 1.00 0.00 H new ATOM 0 HA TYR A 96 5.463 10.992 -0.105 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.715 9.249 -1.445 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.263 9.561 -2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.467 7.340 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 96 8.024 7.878 -2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.102 4.996 0.596 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.647 5.515 -1.747 1.00 0.00 H new ATOM 0 HH TYR A 96 6.887 3.241 -0.996 1.00 0.00 H new ATOM 1488 N TRP A 97 4.943 9.598 1.918 1.00 0.00 N ATOM 1489 CA TRP A 97 4.723 8.934 3.192 1.00 0.00 C ATOM 1490 C TRP A 97 4.099 7.566 2.969 1.00 0.00 C ATOM 1491 O TRP A 97 2.987 7.461 2.440 1.00 0.00 O ATOM 1492 CB TRP A 97 3.806 9.784 4.077 1.00 0.00 C ATOM 1493 CG TRP A 97 4.532 11.019 4.513 1.00 0.00 C ATOM 1494 CD1 TRP A 97 4.488 12.214 3.877 1.00 0.00 C ATOM 1495 CD2 TRP A 97 5.403 11.201 5.666 1.00 0.00 C ATOM 1496 NE1 TRP A 97 5.279 13.116 4.568 1.00 0.00 N ATOM 1497 CE2 TRP A 97 5.864 12.537 5.678 1.00 0.00 C ATOM 1498 CE3 TRP A 97 5.835 10.342 6.693 1.00 0.00 C ATOM 1499 CZ2 TRP A 97 6.721 13.008 6.670 1.00 0.00 C ATOM 1500 CZ3 TRP A 97 6.700 10.813 7.697 1.00 0.00 C ATOM 1501 CH2 TRP A 97 7.141 12.144 7.684 1.00 0.00 C ATOM 0 H TRP A 97 4.154 10.154 1.587 1.00 0.00 H new ATOM 0 HA TRP A 97 5.684 8.809 3.691 1.00 0.00 H new ATOM 0 HB2 TRP A 97 2.904 10.055 3.529 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.490 9.210 4.948 1.00 0.00 H new ATOM 0 HD1 TRP A 97 3.928 12.428 2.979 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.413 14.089 4.292 1.00 0.00 H new ATOM 0 HE3 TRP A 97 5.501 9.315 6.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 7.058 14.034 6.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 7.026 10.146 8.482 1.00 0.00 H new ATOM 0 HH2 TRP A 97 7.805 12.501 8.457 1.00 0.00 H new ATOM 1512 N CYS A 98 4.804 6.522 3.418 1.00 0.00 N ATOM 1513 CA CYS A 98 4.300 5.155 3.314 1.00 0.00 C ATOM 1514 C CYS A 98 3.415 4.870 4.518 1.00 0.00 C ATOM 1515 O CYS A 98 3.882 4.935 5.656 1.00 0.00 O ATOM 1516 CB CYS A 98 5.480 4.153 3.263 1.00 0.00 C ATOM 1517 SG CYS A 98 4.844 2.449 3.173 1.00 0.00 S ATOM 0 H CYS A 98 5.722 6.601 3.855 1.00 0.00 H new ATOM 0 HA CYS A 98 3.720 5.043 2.398 1.00 0.00 H new ATOM 0 HB2 CYS A 98 6.108 4.362 2.397 1.00 0.00 H new ATOM 0 HB3 CYS A 98 6.106 4.270 4.147 1.00 0.00 H new ATOM 1522 N ARG A 99 2.114 4.628 4.267 1.00 0.00 N ATOM 1523 CA ARG A 99 1.148 4.409 5.351 1.00 0.00 C ATOM 1524 C ARG A 99 0.707 2.964 5.442 1.00 0.00 C ATOM 1525 O ARG A 99 0.252 2.390 4.455 1.00 0.00 O ATOM 1526 CB ARG A 99 -0.106 5.277 5.150 1.00 0.00 C ATOM 1527 CG ARG A 99 0.210 6.757 5.363 1.00 0.00 C ATOM 1528 CD ARG A 99 -1.080 7.566 5.233 1.00 0.00 C ATOM 1529 NE ARG A 99 -0.812 9.006 5.421 1.00 0.00 N ATOM 1530 CZ ARG A 99 -1.799 9.934 5.537 1.00 0.00 C ATOM 1531 NH1 ARG A 99 -3.072 9.591 5.504 1.00 0.00 N ATOM 1532 NH2 ARG A 99 -1.479 11.193 5.680 1.00 0.00 N ATOM 0 H ARG A 99 1.714 4.580 3.330 1.00 0.00 H new ATOM 0 HA ARG A 99 1.660 4.684 6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.499 5.127 4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.884 4.964 5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.652 6.909 6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.942 7.095 4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.523 7.398 4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.805 7.226 5.973 1.00 0.00 H new ATOM 0 HE ARG A 99 0.158 9.319 5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.334 8.612 5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.795 10.305 5.593 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -0.498 11.470 5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.211 11.898 5.768 1.00 0.00 H new ATOM 1546 N PHE A 100 0.733 2.428 6.670 1.00 0.00 N ATOM 1547 CA PHE A 100 0.216 1.092 6.947 1.00 0.00 C ATOM 1548 C PHE A 100 -0.953 1.237 7.917 1.00 0.00 C ATOM 1549 O PHE A 100 -0.770 1.710 9.044 1.00 0.00 O ATOM 1550 CB PHE A 100 1.317 0.215 7.563 1.00 0.00 C ATOM 1551 CG PHE A 100 0.834 -1.214 7.678 1.00 0.00 C ATOM 1552 CD1 PHE A 100 0.941 -2.078 6.582 1.00 0.00 C ATOM 1553 CD2 PHE A 100 0.285 -1.674 8.880 1.00 0.00 C ATOM 1554 CE1 PHE A 100 0.499 -3.402 6.689 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -0.158 -2.997 8.985 1.00 0.00 C ATOM 1556 CZ PHE A 100 -0.050 -3.860 7.889 1.00 0.00 C ATOM 0 H PHE A 100 1.110 2.907 7.488 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.116 0.613 6.026 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.214 0.256 6.946 1.00 0.00 H new ATOM 0 HB3 PHE A 100 1.589 0.596 8.547 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.364 -1.723 5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 100 0.203 -1.008 9.726 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.582 -4.069 5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.583 -3.352 9.912 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.391 -4.881 7.971 1.00 0.00 H new ATOM 1566 N GLN A 101 -2.166 0.932 7.436 1.00 0.00 N ATOM 1567 CA GLN A 101 -3.380 1.148 8.232 1.00 0.00 C ATOM 1568 C GLN A 101 -4.103 -0.163 8.557 1.00 0.00 C ATOM 1569 O GLN A 101 -4.461 -0.933 7.661 1.00 0.00 O ATOM 1570 CB GLN A 101 -4.322 2.110 7.473 1.00 0.00 C ATOM 1571 CG GLN A 101 -5.566 2.439 8.319 1.00 0.00 C ATOM 1572 CD GLN A 101 -6.492 3.369 7.543 1.00 0.00 C ATOM 1573 OE1 GLN A 101 -6.945 3.026 6.452 1.00 0.00 O ATOM 1574 NE2 GLN A 101 -6.800 4.534 8.043 1.00 0.00 N ATOM 0 H GLN A 101 -2.331 0.539 6.509 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.085 1.589 9.184 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.790 3.029 7.228 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.628 1.658 6.530 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.093 1.521 8.578 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -5.265 2.909 9.255 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -6.423 4.816 8.948 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.418 5.162 7.529 1.00 0.00 H new ATOM 1583 N GLU A 102 -4.388 -0.344 9.846 1.00 0.00 N ATOM 1584 CA GLU A 102 -5.156 -1.481 10.332 1.00 0.00 C ATOM 1585 C GLU A 102 -6.050 -1.021 11.478 1.00 0.00 C ATOM 1586 O GLU A 102 -5.582 -0.345 12.401 1.00 0.00 O ATOM 1587 CB GLU A 102 -4.227 -2.607 10.808 1.00 0.00 C ATOM 1588 CG GLU A 102 -5.058 -3.866 11.094 1.00 0.00 C ATOM 1589 CD GLU A 102 -4.152 -5.011 11.533 1.00 0.00 C ATOM 1590 OE1 GLU A 102 -3.926 -5.135 12.725 1.00 0.00 O ATOM 1591 OE2 GLU A 102 -3.701 -5.748 10.672 1.00 0.00 O ATOM 0 H GLU A 102 -4.090 0.297 10.581 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.767 -1.872 9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.475 -2.819 10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.693 -2.298 11.707 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.792 -3.656 11.872 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.613 -4.154 10.201 1.00 0.00 H new ATOM 1598 N GLY A 103 -7.339 -1.356 11.397 1.00 0.00 N ATOM 1599 CA GLY A 103 -8.303 -0.939 12.415 1.00 0.00 C ATOM 1600 C GLY A 103 -8.355 0.586 12.510 1.00 0.00 C ATOM 1601 O GLY A 103 -8.464 1.273 11.489 1.00 0.00 O ATOM 0 H GLY A 103 -7.737 -1.912 10.641 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.291 -1.328 12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.026 -1.360 13.381 1.00 0.00 H new ATOM 1605 N ASP A 104 -8.275 1.107 13.741 1.00 0.00 N ATOM 1606 CA ASP A 104 -8.313 2.562 13.971 1.00 0.00 C ATOM 1607 C ASP A 104 -6.907 3.154 14.223 1.00 0.00 C ATOM 1608 O ASP A 104 -6.788 4.301 14.663 1.00 0.00 O ATOM 1609 CB ASP A 104 -9.234 2.884 15.165 1.00 0.00 C ATOM 1610 CG ASP A 104 -8.704 2.267 16.482 1.00 0.00 C ATOM 1611 OD1 ASP A 104 -7.611 1.707 16.479 1.00 0.00 O ATOM 1612 OD2 ASP A 104 -9.408 2.365 17.473 1.00 0.00 O ATOM 0 H ASP A 104 -8.184 0.549 14.590 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.705 3.022 13.064 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.318 3.965 15.278 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -10.236 2.505 14.964 1.00 0.00 H new ATOM 1617 N TYR A 105 -5.853 2.359 13.964 1.00 0.00 N ATOM 1618 CA TYR A 105 -4.469 2.806 14.191 1.00 0.00 C ATOM 1619 C TYR A 105 -3.602 2.569 12.940 1.00 0.00 C ATOM 1620 O TYR A 105 -3.687 1.510 12.311 1.00 0.00 O ATOM 1621 CB TYR A 105 -3.876 2.064 15.410 1.00 0.00 C ATOM 1622 CG TYR A 105 -2.478 2.577 15.719 1.00 0.00 C ATOM 1623 CD1 TYR A 105 -2.316 3.778 16.420 1.00 0.00 C ATOM 1624 CD2 TYR A 105 -1.353 1.851 15.305 1.00 0.00 C ATOM 1625 CE1 TYR A 105 -1.032 4.253 16.705 1.00 0.00 C ATOM 1626 CE2 TYR A 105 -0.068 2.327 15.591 1.00 0.00 C ATOM 1627 CZ TYR A 105 0.092 3.528 16.292 1.00 0.00 C ATOM 1628 OH TYR A 105 1.356 3.998 16.576 1.00 0.00 O ATOM 0 H TYR A 105 -5.933 1.410 13.600 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.476 3.877 14.394 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.521 2.204 16.277 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.840 0.993 15.209 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.182 4.337 16.741 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -1.477 0.924 14.765 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.907 5.180 17.244 1.00 0.00 H new ATOM 0 HE2 TYR A 105 0.799 1.768 15.271 1.00 0.00 H new ATOM 0 HH TYR A 105 1.971 3.242 16.676 1.00 0.00 H new ATOM 1638 N TRP A 106 -2.750 3.559 12.610 1.00 0.00 N ATOM 1639 CA TRP A 106 -1.845 3.443 11.457 1.00 0.00 C ATOM 1640 C TRP A 106 -0.489 4.095 11.749 1.00 0.00 C ATOM 1641 O TRP A 106 -0.371 4.945 12.636 1.00 0.00 O ATOM 1642 CB TRP A 106 -2.485 4.061 10.187 1.00 0.00 C ATOM 1643 CG TRP A 106 -2.756 5.524 10.388 1.00 0.00 C ATOM 1644 CD1 TRP A 106 -1.934 6.524 9.993 1.00 0.00 C ATOM 1645 CD2 TRP A 106 -3.895 6.160 11.032 1.00 0.00 C ATOM 1646 NE1 TRP A 106 -2.506 7.736 10.343 1.00 0.00 N ATOM 1647 CE2 TRP A 106 -3.714 7.562 10.990 1.00 0.00 C ATOM 1648 CE3 TRP A 106 -5.060 5.660 11.642 1.00 0.00 C ATOM 1649 CZ2 TRP A 106 -4.652 8.437 11.531 1.00 0.00 C ATOM 1650 CZ3 TRP A 106 -6.008 6.540 12.190 1.00 0.00 C ATOM 1651 CH2 TRP A 106 -5.805 7.926 12.133 1.00 0.00 C ATOM 0 H TRP A 106 -2.672 4.438 13.121 1.00 0.00 H new ATOM 0 HA TRP A 106 -1.676 2.382 11.274 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -1.820 3.923 9.335 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -3.415 3.543 9.953 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -0.988 6.398 9.488 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -2.087 8.645 10.147 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -5.226 4.594 11.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -4.490 9.504 11.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -6.898 6.147 12.658 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.539 8.598 12.554 1.00 0.00 H new ATOM 1662 N ARG A 107 0.524 3.673 10.997 1.00 0.00 N ATOM 1663 CA ARG A 107 1.889 4.182 11.152 1.00 0.00 C ATOM 1664 C ARG A 107 2.494 4.492 9.790 1.00 0.00 C ATOM 1665 O ARG A 107 2.138 3.849 8.794 1.00 0.00 O ATOM 1666 CB ARG A 107 2.743 3.143 11.890 1.00 0.00 C ATOM 1667 CG ARG A 107 2.491 3.225 13.408 1.00 0.00 C ATOM 1668 CD ARG A 107 3.226 4.440 13.992 1.00 0.00 C ATOM 1669 NE ARG A 107 4.685 4.293 13.815 1.00 0.00 N ATOM 1670 CZ ARG A 107 5.572 5.281 14.103 1.00 0.00 C ATOM 1671 NH1 ARG A 107 5.170 6.448 14.571 1.00 0.00 N ATOM 1672 NH2 ARG A 107 6.847 5.075 13.913 1.00 0.00 N ATOM 0 H ARG A 107 0.425 2.970 10.264 1.00 0.00 H new ATOM 0 HA ARG A 107 1.864 5.103 11.735 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.504 2.143 11.528 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.799 3.314 11.680 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.422 3.306 13.605 1.00 0.00 H new ATOM 0 HG3 ARG A 107 2.836 2.312 13.893 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.884 5.351 13.501 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.990 4.541 15.051 1.00 0.00 H new ATOM 0 HE ARG A 107 5.044 3.407 13.459 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.176 6.622 14.723 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.853 7.176 14.781 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.170 4.178 13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.520 5.811 14.127 1.00 0.00 H new ATOM 1686 N GLU A 108 3.382 5.514 9.731 1.00 0.00 N ATOM 1687 CA GLU A 108 3.970 5.908 8.448 1.00 0.00 C ATOM 1688 C GLU A 108 5.309 6.647 8.577 1.00 0.00 C ATOM 1689 O GLU A 108 5.609 7.256 9.606 1.00 0.00 O ATOM 1690 CB GLU A 108 2.967 6.758 7.661 1.00 0.00 C ATOM 1691 CG GLU A 108 2.671 8.073 8.408 1.00 0.00 C ATOM 1692 CD GLU A 108 1.623 8.887 7.649 1.00 0.00 C ATOM 1693 OE1 GLU A 108 1.732 8.977 6.435 1.00 0.00 O ATOM 1694 OE2 GLU A 108 0.727 9.407 8.294 1.00 0.00 O ATOM 0 H GLU A 108 3.693 6.059 10.535 1.00 0.00 H new ATOM 0 HA GLU A 108 4.191 4.985 7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.366 6.977 6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.042 6.199 7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.314 7.855 9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.587 8.654 8.513 1.00 0.00 H new ATOM 1701 N THR A 109 6.078 6.618 7.479 1.00 0.00 N ATOM 1702 CA THR A 109 7.366 7.317 7.395 1.00 0.00 C ATOM 1703 C THR A 109 7.648 7.725 5.936 1.00 0.00 C ATOM 1704 O THR A 109 7.183 7.058 5.007 1.00 0.00 O ATOM 1705 CB THR A 109 8.494 6.434 7.937 1.00 0.00 C ATOM 1706 OG1 THR A 109 8.107 5.911 9.202 1.00 0.00 O ATOM 1707 CG2 THR A 109 9.757 7.280 8.107 1.00 0.00 C ATOM 0 H THR A 109 5.826 6.112 6.630 1.00 0.00 H new ATOM 0 HA THR A 109 7.318 8.218 8.007 1.00 0.00 H new ATOM 0 HB THR A 109 8.690 5.616 7.243 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.844 4.972 9.101 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.563 6.656 8.493 1.00 0.00 H new ATOM 0 HG22 THR A 109 10.049 7.696 7.143 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.560 8.092 8.807 1.00 0.00 H new ATOM 1715 N SER A 110 8.355 8.857 5.739 1.00 0.00 N ATOM 1716 CA SER A 110 8.617 9.376 4.380 1.00 0.00 C ATOM 1717 C SER A 110 9.789 8.655 3.692 1.00 0.00 C ATOM 1718 O SER A 110 10.674 8.121 4.346 1.00 0.00 O ATOM 1719 CB SER A 110 8.910 10.874 4.443 1.00 0.00 C ATOM 1720 OG SER A 110 10.160 11.080 5.092 1.00 0.00 O ATOM 0 H SER A 110 8.750 9.422 6.491 1.00 0.00 H new ATOM 0 HA SER A 110 7.721 9.190 3.788 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.935 11.294 3.438 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.117 11.389 4.984 1.00 0.00 H new ATOM 0 HG SER A 110 10.353 12.040 5.133 1.00 0.00 H new ATOM 1726 N VAL A 111 9.783 8.679 2.353 1.00 0.00 N ATOM 1727 CA VAL A 111 10.831 8.030 1.535 1.00 0.00 C ATOM 1728 C VAL A 111 11.426 9.051 0.559 1.00 0.00 C ATOM 1729 O VAL A 111 10.728 9.983 0.137 1.00 0.00 O ATOM 1730 CB VAL A 111 10.245 6.824 0.760 1.00 0.00 C ATOM 1731 CG1 VAL A 111 11.351 6.115 -0.044 1.00 0.00 C ATOM 1732 CG2 VAL A 111 9.618 5.821 1.738 1.00 0.00 C ATOM 0 H VAL A 111 9.060 9.144 1.804 1.00 0.00 H new ATOM 0 HA VAL A 111 11.618 7.663 2.193 1.00 0.00 H new ATOM 0 HB VAL A 111 9.482 7.196 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.924 5.270 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 111 11.789 6.815 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.124 5.758 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.209 4.977 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.380 5.464 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.819 6.308 2.297 1.00 0.00 H new ATOM 1742 N LEU A 112 12.729 8.899 0.243 1.00 0.00 N ATOM 1743 CA LEU A 112 13.418 9.858 -0.634 1.00 0.00 C ATOM 1744 C LEU A 112 13.357 9.431 -2.101 1.00 0.00 C ATOM 1745 O LEU A 112 14.076 8.521 -2.519 1.00 0.00 O ATOM 1746 CB LEU A 112 14.887 9.988 -0.206 1.00 0.00 C ATOM 1747 CG LEU A 112 14.986 10.648 1.182 1.00 0.00 C ATOM 1748 CD1 LEU A 112 16.417 10.505 1.706 1.00 0.00 C ATOM 1749 CD2 LEU A 112 14.645 12.144 1.073 1.00 0.00 C ATOM 0 H LEU A 112 13.314 8.133 0.578 1.00 0.00 H new ATOM 0 HA LEU A 112 12.910 10.818 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.354 9.003 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.434 10.582 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 112 14.286 10.162 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 112 16.493 10.971 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 112 16.672 9.448 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 112 17.107 10.994 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 112 14.716 12.606 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 112 15.346 12.628 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.631 12.259 0.691 1.00 0.00 H new ATOM 1761 N LEU A 113 12.524 10.126 -2.891 1.00 0.00 N ATOM 1762 CA LEU A 113 12.423 9.843 -4.333 1.00 0.00 C ATOM 1763 C LEU A 113 12.446 11.145 -5.135 1.00 0.00 C ATOM 1764 O LEU A 113 11.423 11.825 -5.251 1.00 0.00 O ATOM 1765 CB LEU A 113 11.128 9.049 -4.648 1.00 0.00 C ATOM 1766 CG LEU A 113 11.001 7.796 -3.733 1.00 0.00 C ATOM 1767 CD1 LEU A 113 9.650 7.139 -3.971 1.00 0.00 C ATOM 1768 CD2 LEU A 113 12.107 6.768 -4.051 1.00 0.00 C ATOM 0 H LEU A 113 11.918 10.878 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 113 13.281 9.236 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.260 9.694 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.132 8.741 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 113 11.099 8.116 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.555 6.261 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.855 7.846 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.570 6.839 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.997 5.902 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 113 12.022 6.452 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 113 13.084 7.223 -3.888 1.00 0.00 H new ATOM 1780 N GLN A 114 13.607 11.467 -5.717 1.00 0.00 N ATOM 1781 CA GLN A 114 13.749 12.676 -6.537 1.00 0.00 C ATOM 1782 C GLN A 114 13.881 12.291 -7.990 1.00 0.00 C ATOM 1783 O GLN A 114 14.678 11.430 -8.325 1.00 0.00 O ATOM 1784 CB GLN A 114 14.979 13.493 -6.100 1.00 0.00 C ATOM 1785 CG GLN A 114 14.780 13.996 -4.669 1.00 0.00 C ATOM 1786 CD GLN A 114 15.020 12.864 -3.681 1.00 0.00 C ATOM 1787 OE1 GLN A 114 16.117 12.309 -3.622 1.00 0.00 O ATOM 1788 NE2 GLN A 114 14.038 12.456 -2.934 1.00 0.00 N ATOM 0 H GLN A 114 14.458 10.910 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 114 12.861 13.293 -6.401 1.00 0.00 H new ATOM 0 HB2 GLN A 114 15.876 12.877 -6.158 1.00 0.00 H new ATOM 0 HB3 GLN A 114 15.127 14.336 -6.775 1.00 0.00 H new ATOM 0 HG2 GLN A 114 15.465 14.819 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 114 13.769 14.386 -4.549 1.00 0.00 H new ATOM 0 HE21 GLN A 114 13.131 12.919 -2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.175 11.673 -2.295 1.00 0.00 H new ATOM 1797 N VAL A 115 13.069 12.911 -8.845 1.00 0.00 N ATOM 1798 CA VAL A 115 13.064 12.582 -10.278 1.00 0.00 C ATOM 1799 C VAL A 115 13.736 13.675 -11.096 1.00 0.00 C ATOM 1800 O VAL A 115 13.560 14.867 -10.822 1.00 0.00 O ATOM 1801 CB VAL A 115 11.609 12.344 -10.763 1.00 0.00 C ATOM 1802 CG1 VAL A 115 11.001 11.145 -10.000 1.00 0.00 C ATOM 1803 CG2 VAL A 115 10.755 13.598 -10.508 1.00 0.00 C ATOM 0 H VAL A 115 12.408 13.640 -8.577 1.00 0.00 H new ATOM 0 HA VAL A 115 13.636 11.666 -10.423 1.00 0.00 H new ATOM 0 HB VAL A 115 11.621 12.132 -11.832 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.979 10.978 -10.340 1.00 0.00 H new ATOM 0 HG12 VAL A 115 11.598 10.253 -10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.997 11.358 -8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.736 13.420 -10.852 1.00 0.00 H new ATOM 0 HG22 VAL A 115 10.744 13.820 -9.441 1.00 0.00 H new ATOM 0 HG23 VAL A 115 11.179 14.443 -11.050 1.00 0.00 H new ATOM 1813 N ALA A 116 14.521 13.254 -12.098 1.00 0.00 N ATOM 1814 CA ALA A 116 15.236 14.196 -12.958 1.00 0.00 C ATOM 1815 C ALA A 116 14.256 14.955 -13.846 1.00 0.00 C ATOM 1816 O ALA A 116 13.254 14.395 -14.295 1.00 0.00 O ATOM 1817 CB ALA A 116 16.269 13.453 -13.817 1.00 0.00 C ATOM 0 H ALA A 116 14.674 12.272 -12.329 1.00 0.00 H new ATOM 0 HA ALA A 116 15.759 14.915 -12.327 1.00 0.00 H new ATOM 0 HB1 ALA A 116 16.794 14.166 -14.453 1.00 0.00 H new ATOM 0 HB2 ALA A 116 16.985 12.948 -13.169 1.00 0.00 H new ATOM 0 HB3 ALA A 116 15.762 12.717 -14.440 1.00 0.00 H new ATOM 1823 N ALA A 117 14.548 16.238 -14.082 1.00 0.00 N ATOM 1824 CA ALA A 117 13.687 17.084 -14.908 1.00 0.00 C ATOM 1825 C ALA A 117 14.226 17.183 -16.334 1.00 0.00 C ATOM 1826 O ALA A 117 15.336 16.728 -16.561 1.00 0.00 O ATOM 1827 CB ALA A 117 13.574 18.481 -14.296 1.00 0.00 C ATOM 1828 OXT ALA A 117 13.521 17.713 -17.176 1.00 0.00 O ATOM 0 H ALA A 117 15.373 16.711 -13.713 1.00 0.00 H new ATOM 0 HA ALA A 117 12.698 16.628 -14.944 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.931 19.101 -14.920 1.00 0.00 H new ATOM 0 HB2 ALA A 117 13.147 18.407 -13.296 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.564 18.933 -14.235 1.00 0.00 H new TER 1834 ALA A 117