USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 845 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.241 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0699 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 15 HIS : no HD1:sc= -0.306 K(o=-0.31,f=-0.98) USER MOD Single : A 26 GLN : amide:sc= -0.246 K(o=-0.25,f=-2.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -26:sc= 0.149 USER MOD Single : A 38 SER OG : rot 180:sc= -0.38 USER MOD Single : A 41 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.6!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.336 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0738 USER MOD Single : A 55 HIS : no HD1:sc= -0.052 X(o=-0.052,f=-0.063) USER MOD Single : A 57 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.6) USER MOD Single : A 60 ASN : amide:sc= -0.477 K(o=-0.48,f=-4.8!) USER MOD Single : A 65 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.68) USER MOD Single : A 69 TYR OH : rot -12:sc= -0.25 USER MOD Single : A 70 HIS : no HD1:sc= -2.79 X(o=-2.8,f=-2.4!) USER MOD Single : A 73 THR OG1 : rot 113:sc= 0.0445 USER MOD Single : A 76 GLN : amide:sc= -0.673 K(o=-0.67,f=-1.5) USER MOD Single : A 80 LYS NZ :NH3+ -158:sc= -1.07 (180deg=-2.49!) USER MOD Single : A 82 SER OG : rot -82:sc= 1.08 USER MOD Single : A 84 THR OG1 : rot -25:sc= 0.482 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0449 X(o=-0.045,f=-0.045) USER MOD Single : A 95 SER OG : rot 35:sc= 0.869 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -170:sc= -0.478 (180deg=-0.605) USER MOD Single : A 105 SER OG : rot 180:sc= 0.214 USER MOD Single : A 108 SER OG : rot -174:sc= 0.573 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.358 -4.672 9.099 1.00 0.00 N ATOM 2 CA GLY A 1 15.221 -4.658 8.197 1.00 0.00 C ATOM 3 C GLY A 1 14.424 -5.947 8.251 1.00 0.00 C ATOM 4 O GLY A 1 14.994 -7.037 8.270 1.00 0.00 O ATOM 0 H1 GLY A 1 16.870 -3.770 9.026 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.025 -4.802 10.076 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.995 -5.454 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.570 -3.821 8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.571 -4.493 7.178 1.00 0.00 H new ATOM 8 N SER A 2 13.101 -5.821 8.276 1.00 0.00 N ATOM 9 CA SER A 2 12.224 -6.985 8.334 1.00 0.00 C ATOM 10 C SER A 2 10.761 -6.569 8.213 1.00 0.00 C ATOM 11 O SER A 2 10.293 -5.688 8.934 1.00 0.00 O ATOM 12 CB SER A 2 12.442 -7.751 9.640 1.00 0.00 C ATOM 13 OG SER A 2 12.021 -6.985 10.756 1.00 0.00 O ATOM 0 H SER A 2 12.613 -4.925 8.257 1.00 0.00 H new ATOM 0 HA SER A 2 12.470 -7.636 7.495 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.890 -8.691 9.611 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.497 -8.004 9.745 1.00 0.00 H new ATOM 0 HG SER A 2 11.282 -6.399 10.490 1.00 0.00 H new ATOM 19 N SER A 3 10.044 -7.210 7.295 1.00 0.00 N ATOM 20 CA SER A 3 8.635 -6.905 7.076 1.00 0.00 C ATOM 21 C SER A 3 7.748 -8.029 7.603 1.00 0.00 C ATOM 22 O SER A 3 8.207 -9.151 7.813 1.00 0.00 O ATOM 23 CB SER A 3 8.365 -6.683 5.586 1.00 0.00 C ATOM 24 OG SER A 3 6.999 -6.389 5.353 1.00 0.00 O ATOM 0 H SER A 3 10.416 -7.943 6.691 1.00 0.00 H new ATOM 0 HA SER A 3 8.397 -5.992 7.621 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.984 -5.864 5.219 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.649 -7.573 5.025 1.00 0.00 H new ATOM 0 HG SER A 3 6.853 -6.250 4.394 1.00 0.00 H new ATOM 30 N GLY A 4 6.472 -7.718 7.814 1.00 0.00 N ATOM 31 CA GLY A 4 5.540 -8.711 8.314 1.00 0.00 C ATOM 32 C GLY A 4 4.377 -8.089 9.063 1.00 0.00 C ATOM 33 O GLY A 4 4.550 -7.109 9.788 1.00 0.00 O ATOM 0 H GLY A 4 6.068 -6.796 7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.158 -9.299 7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.067 -9.400 8.974 1.00 0.00 H new ATOM 37 N SER A 5 3.189 -8.658 8.885 1.00 0.00 N ATOM 38 CA SER A 5 1.992 -8.149 9.545 1.00 0.00 C ATOM 39 C SER A 5 1.640 -9.000 10.762 1.00 0.00 C ATOM 40 O SER A 5 1.492 -8.486 11.870 1.00 0.00 O ATOM 41 CB SER A 5 0.816 -8.126 8.567 1.00 0.00 C ATOM 42 OG SER A 5 -0.412 -7.945 9.250 1.00 0.00 O ATOM 0 H SER A 5 3.030 -9.471 8.290 1.00 0.00 H new ATOM 0 HA SER A 5 2.196 -7.132 9.881 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.956 -7.322 7.844 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.789 -9.059 8.004 1.00 0.00 H new ATOM 0 HG SER A 5 -1.148 -7.932 8.603 1.00 0.00 H new ATOM 48 N SER A 6 1.506 -10.304 10.545 1.00 0.00 N ATOM 49 CA SER A 6 1.167 -11.227 11.622 1.00 0.00 C ATOM 50 C SER A 6 -0.104 -10.783 12.339 1.00 0.00 C ATOM 51 O SER A 6 -0.186 -10.826 13.565 1.00 0.00 O ATOM 52 CB SER A 6 2.322 -11.325 12.621 1.00 0.00 C ATOM 53 OG SER A 6 3.509 -11.770 11.987 1.00 0.00 O ATOM 0 H SER A 6 1.627 -10.745 9.633 1.00 0.00 H new ATOM 0 HA SER A 6 0.991 -12.209 11.183 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.494 -10.351 13.079 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.055 -12.012 13.424 1.00 0.00 H new ATOM 0 HG SER A 6 4.232 -11.822 12.646 1.00 0.00 H new ATOM 59 N GLY A 7 -1.095 -10.354 11.562 1.00 0.00 N ATOM 60 CA GLY A 7 -2.349 -9.907 12.139 1.00 0.00 C ATOM 61 C GLY A 7 -3.405 -10.995 12.145 1.00 0.00 C ATOM 62 O GLY A 7 -4.169 -11.134 11.188 1.00 0.00 O ATOM 0 H GLY A 7 -1.051 -10.308 10.544 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.175 -9.568 13.160 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.719 -9.049 11.577 1.00 0.00 H new ATOM 66 N LEU A 8 -3.448 -11.770 13.223 1.00 0.00 N ATOM 67 CA LEU A 8 -4.417 -12.852 13.349 1.00 0.00 C ATOM 68 C LEU A 8 -5.327 -12.632 14.553 1.00 0.00 C ATOM 69 O LEU A 8 -5.171 -13.280 15.589 1.00 0.00 O ATOM 70 CB LEU A 8 -3.697 -14.196 13.478 1.00 0.00 C ATOM 71 CG LEU A 8 -4.491 -15.427 13.040 1.00 0.00 C ATOM 72 CD1 LEU A 8 -4.304 -15.682 11.552 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.071 -16.647 13.848 1.00 0.00 C ATOM 0 H LEU A 8 -2.823 -11.669 14.023 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.032 -12.861 12.449 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.780 -14.152 12.891 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.403 -14.330 14.519 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.548 -15.238 13.225 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.877 -16.562 11.259 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.653 -14.817 10.988 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.248 -15.850 11.342 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.646 -17.514 13.523 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.009 -16.838 13.694 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.257 -16.464 14.906 1.00 0.00 H new ATOM 85 N VAL A 9 -6.278 -11.715 14.411 1.00 0.00 N ATOM 86 CA VAL A 9 -7.215 -11.412 15.486 1.00 0.00 C ATOM 87 C VAL A 9 -8.459 -12.287 15.394 1.00 0.00 C ATOM 88 O VAL A 9 -9.013 -12.704 16.411 1.00 0.00 O ATOM 89 CB VAL A 9 -7.640 -9.931 15.459 1.00 0.00 C ATOM 90 CG1 VAL A 9 -8.637 -9.641 16.571 1.00 0.00 C ATOM 91 CG2 VAL A 9 -6.422 -9.026 15.574 1.00 0.00 C ATOM 0 H VAL A 9 -6.420 -11.169 13.562 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.698 -11.618 16.423 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.127 -9.728 14.505 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.926 -8.590 16.536 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.521 -10.265 16.439 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.180 -9.860 17.536 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.740 -7.984 15.553 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.905 -9.229 16.512 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.747 -9.216 14.739 1.00 0.00 H new ATOM 101 N GLN A 10 -8.893 -12.563 14.168 1.00 0.00 N ATOM 102 CA GLN A 10 -10.073 -13.390 13.944 1.00 0.00 C ATOM 103 C GLN A 10 -11.161 -13.074 14.965 1.00 0.00 C ATOM 104 O GLN A 10 -11.819 -13.975 15.485 1.00 0.00 O ATOM 105 CB GLN A 10 -9.704 -14.873 14.016 1.00 0.00 C ATOM 106 CG GLN A 10 -9.201 -15.308 15.383 1.00 0.00 C ATOM 107 CD GLN A 10 -9.257 -16.811 15.573 1.00 0.00 C ATOM 108 OE1 GLN A 10 -9.041 -17.577 14.633 1.00 0.00 O ATOM 109 NE2 GLN A 10 -9.549 -17.243 16.795 1.00 0.00 N ATOM 0 H GLN A 10 -8.446 -12.226 13.315 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.458 -13.167 12.949 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.577 -15.470 13.752 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.937 -15.085 13.271 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.174 -14.967 15.514 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.798 -14.825 16.156 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.721 -16.574 17.545 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.601 -18.244 16.983 1.00 0.00 H new ATOM 118 N GLY A 11 -11.345 -11.788 15.248 1.00 0.00 N ATOM 119 CA GLY A 11 -12.354 -11.377 16.206 1.00 0.00 C ATOM 120 C GLY A 11 -13.293 -10.327 15.645 1.00 0.00 C ATOM 121 O GLY A 11 -14.363 -10.653 15.130 1.00 0.00 O ATOM 0 H GLY A 11 -10.813 -11.024 14.831 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.932 -12.248 16.517 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.865 -10.984 17.098 1.00 0.00 H new ATOM 125 N ARG A 12 -12.893 -9.064 15.746 1.00 0.00 N ATOM 126 CA ARG A 12 -13.708 -7.962 15.246 1.00 0.00 C ATOM 127 C ARG A 12 -13.810 -8.008 13.725 1.00 0.00 C ATOM 128 O ARG A 12 -12.971 -7.448 13.019 1.00 0.00 O ATOM 129 CB ARG A 12 -13.118 -6.622 15.688 1.00 0.00 C ATOM 130 CG ARG A 12 -14.163 -5.543 15.918 1.00 0.00 C ATOM 131 CD ARG A 12 -13.591 -4.371 16.701 1.00 0.00 C ATOM 132 NE ARG A 12 -13.082 -4.782 18.007 1.00 0.00 N ATOM 133 CZ ARG A 12 -12.276 -4.032 18.750 1.00 0.00 C ATOM 134 NH1 ARG A 12 -11.890 -2.840 18.319 1.00 0.00 N ATOM 135 NH2 ARG A 12 -11.855 -4.475 19.928 1.00 0.00 N ATOM 0 H ARG A 12 -12.010 -8.778 16.169 1.00 0.00 H new ATOM 0 HA ARG A 12 -14.710 -8.066 15.663 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -12.552 -6.770 16.608 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.413 -6.278 14.931 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.541 -5.191 14.958 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.010 -5.965 16.459 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.787 -3.910 16.127 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.363 -3.613 16.835 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.361 -5.694 18.368 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.212 -2.496 17.414 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.271 -2.266 18.892 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.150 -5.392 20.263 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.236 -3.899 20.498 1.00 0.00 H new ATOM 149 N ARG A 13 -14.844 -8.679 13.226 1.00 0.00 N ATOM 150 CA ARG A 13 -15.055 -8.799 11.789 1.00 0.00 C ATOM 151 C ARG A 13 -15.498 -7.467 11.191 1.00 0.00 C ATOM 152 O ARG A 13 -16.334 -6.766 11.762 1.00 0.00 O ATOM 153 CB ARG A 13 -16.100 -9.877 11.493 1.00 0.00 C ATOM 154 CG ARG A 13 -15.805 -10.684 10.240 1.00 0.00 C ATOM 155 CD ARG A 13 -16.492 -10.089 9.020 1.00 0.00 C ATOM 156 NE ARG A 13 -17.736 -10.783 8.700 1.00 0.00 N ATOM 157 CZ ARG A 13 -17.788 -11.925 8.024 1.00 0.00 C ATOM 158 NH1 ARG A 13 -16.671 -12.499 7.599 1.00 0.00 N ATOM 159 NH2 ARG A 13 -18.959 -12.495 7.771 1.00 0.00 N ATOM 0 H ARG A 13 -15.548 -9.147 13.796 1.00 0.00 H new ATOM 0 HA ARG A 13 -14.108 -9.086 11.331 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -16.162 -10.554 12.345 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -17.077 -9.405 11.389 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -14.728 -10.718 10.073 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -16.138 -11.712 10.381 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -16.701 -9.034 9.200 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -15.819 -10.139 8.164 1.00 0.00 H new ATOM 0 HE ARG A 13 -18.614 -10.368 9.013 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.769 -12.064 7.791 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.714 -13.376 7.080 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -19.821 -12.056 8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.998 -13.372 7.252 1.00 0.00 H new ATOM 173 N VAL A 14 -14.933 -7.124 10.038 1.00 0.00 N ATOM 174 CA VAL A 14 -15.270 -5.877 9.362 1.00 0.00 C ATOM 175 C VAL A 14 -16.295 -6.110 8.258 1.00 0.00 C ATOM 176 O VAL A 14 -16.195 -7.072 7.495 1.00 0.00 O ATOM 177 CB VAL A 14 -14.021 -5.212 8.755 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.411 -3.995 7.931 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.036 -4.830 9.850 1.00 0.00 C ATOM 0 H VAL A 14 -14.239 -7.693 9.552 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.696 -5.214 10.115 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.535 -5.929 8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.515 -3.538 7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.076 -4.300 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.921 -3.273 8.568 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.159 -4.361 9.403 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.510 -4.130 10.538 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.732 -5.724 10.394 1.00 0.00 H new ATOM 189 N HIS A 15 -17.282 -5.223 8.177 1.00 0.00 N ATOM 190 CA HIS A 15 -18.326 -5.332 7.164 1.00 0.00 C ATOM 191 C HIS A 15 -18.387 -4.069 6.310 1.00 0.00 C ATOM 192 O HIS A 15 -18.784 -3.005 6.786 1.00 0.00 O ATOM 193 CB HIS A 15 -19.683 -5.580 7.825 1.00 0.00 C ATOM 194 CG HIS A 15 -20.005 -7.032 8.003 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.850 -7.966 7.000 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.474 -7.710 9.076 1.00 0.00 C ATOM 197 CE1 HIS A 15 -20.212 -9.155 7.448 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.594 -9.027 8.706 1.00 0.00 N ATOM 0 H HIS A 15 -17.381 -4.421 8.800 1.00 0.00 H new ATOM 0 HA HIS A 15 -18.085 -6.176 6.518 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.699 -5.091 8.799 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.462 -5.115 7.222 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -20.710 -7.293 10.044 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -20.198 -10.075 6.882 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.924 -9.783 9.305 1.00 0.00 H new ATOM 206 N ILE A 16 -17.991 -4.195 5.048 1.00 0.00 N ATOM 207 CA ILE A 16 -18.002 -3.065 4.128 1.00 0.00 C ATOM 208 C ILE A 16 -19.415 -2.523 3.938 1.00 0.00 C ATOM 209 O ILE A 16 -20.176 -3.023 3.109 1.00 0.00 O ATOM 210 CB ILE A 16 -17.424 -3.451 2.754 1.00 0.00 C ATOM 211 CG1 ILE A 16 -15.986 -3.952 2.903 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.482 -2.266 1.802 1.00 0.00 C ATOM 213 CD1 ILE A 16 -15.023 -2.889 3.385 1.00 0.00 C ATOM 0 H ILE A 16 -17.659 -5.068 4.639 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.375 -2.292 4.572 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.028 -4.257 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.972 -4.788 3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.641 -4.334 1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.070 -2.555 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.518 -1.951 1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.900 -1.441 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.023 -3.315 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.008 -2.062 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.343 -2.523 4.361 1.00 0.00 H new ATOM 225 N ILE A 17 -19.758 -1.498 4.711 1.00 0.00 N ATOM 226 CA ILE A 17 -21.078 -0.886 4.626 1.00 0.00 C ATOM 227 C ILE A 17 -21.245 -0.119 3.319 1.00 0.00 C ATOM 228 O ILE A 17 -22.075 -0.473 2.482 1.00 0.00 O ATOM 229 CB ILE A 17 -21.332 0.071 5.806 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.943 -0.598 7.126 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.791 0.501 5.833 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.192 0.270 8.339 1.00 0.00 C ATOM 0 H ILE A 17 -19.140 -1.074 5.403 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.805 -1.697 4.664 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.714 0.959 5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.504 -1.527 7.232 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.887 -0.865 7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.956 1.177 6.672 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.037 1.012 4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.427 -0.377 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.893 -0.268 9.239 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.610 1.188 8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.252 0.516 8.399 1.00 0.00 H new ATOM 244 N GLU A 18 -20.450 0.933 3.150 1.00 0.00 N ATOM 245 CA GLU A 18 -20.510 1.750 1.943 1.00 0.00 C ATOM 246 C GLU A 18 -19.145 1.818 1.264 1.00 0.00 C ATOM 247 O GLU A 18 -18.411 2.793 1.418 1.00 0.00 O ATOM 248 CB GLU A 18 -20.995 3.161 2.280 1.00 0.00 C ATOM 249 CG GLU A 18 -22.249 3.186 3.138 1.00 0.00 C ATOM 250 CD GLU A 18 -23.044 4.466 2.973 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.555 5.384 2.282 1.00 0.00 O ATOM 252 OE2 GLU A 18 -24.157 4.549 3.534 1.00 0.00 O ATOM 0 H GLU A 18 -19.757 1.240 3.833 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.216 1.285 1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.199 3.695 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.189 3.700 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.879 2.335 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.970 3.068 4.185 1.00 0.00 H new ATOM 259 N ASP A 19 -18.813 0.774 0.512 1.00 0.00 N ATOM 260 CA ASP A 19 -17.537 0.714 -0.192 1.00 0.00 C ATOM 261 C ASP A 19 -17.315 1.975 -1.021 1.00 0.00 C ATOM 262 O ASP A 19 -18.266 2.669 -1.383 1.00 0.00 O ATOM 263 CB ASP A 19 -17.486 -0.521 -1.093 1.00 0.00 C ATOM 264 CG ASP A 19 -16.066 -0.932 -1.431 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.472 -0.320 -2.343 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.549 -1.867 -0.783 1.00 0.00 O ATOM 0 H ASP A 19 -19.409 -0.042 0.374 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.742 0.645 0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.993 -1.349 -0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.032 -0.318 -2.014 1.00 0.00 H new ATOM 271 N LEU A 20 -16.053 2.266 -1.318 1.00 0.00 N ATOM 272 CA LEU A 20 -15.705 3.444 -2.105 1.00 0.00 C ATOM 273 C LEU A 20 -16.499 3.485 -3.406 1.00 0.00 C ATOM 274 O LEU A 20 -17.181 2.523 -3.758 1.00 0.00 O ATOM 275 CB LEU A 20 -14.205 3.454 -2.408 1.00 0.00 C ATOM 276 CG LEU A 20 -13.277 3.252 -1.210 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.110 2.352 -1.585 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.774 4.593 -0.693 1.00 0.00 C ATOM 0 H LEU A 20 -15.254 1.703 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.957 4.329 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.997 2.673 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.956 4.405 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.842 2.767 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.460 2.220 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.488 1.382 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.544 2.809 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.115 4.430 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.225 5.105 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.622 5.205 -0.385 1.00 0.00 H new ATOM 290 N GLU A 21 -16.403 4.604 -4.118 1.00 0.00 N ATOM 291 CA GLU A 21 -17.111 4.768 -5.381 1.00 0.00 C ATOM 292 C GLU A 21 -16.130 4.951 -6.536 1.00 0.00 C ATOM 293 O GLU A 21 -15.904 4.033 -7.324 1.00 0.00 O ATOM 294 CB GLU A 21 -18.059 5.967 -5.308 1.00 0.00 C ATOM 295 CG GLU A 21 -19.176 5.798 -4.292 1.00 0.00 C ATOM 296 CD GLU A 21 -20.423 6.578 -4.662 1.00 0.00 C ATOM 297 OE1 GLU A 21 -20.384 7.825 -4.602 1.00 0.00 O ATOM 298 OE2 GLU A 21 -21.439 5.941 -5.011 1.00 0.00 O ATOM 0 H GLU A 21 -15.842 5.410 -3.841 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.693 3.864 -5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.484 6.859 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.497 6.134 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.426 4.741 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.825 6.125 -3.313 1.00 0.00 H new ATOM 305 N ASP A 22 -15.551 6.143 -6.628 1.00 0.00 N ATOM 306 CA ASP A 22 -14.594 6.447 -7.685 1.00 0.00 C ATOM 307 C ASP A 22 -14.088 7.882 -7.564 1.00 0.00 C ATOM 308 O ASP A 22 -14.683 8.704 -6.867 1.00 0.00 O ATOM 309 CB ASP A 22 -15.232 6.234 -9.059 1.00 0.00 C ATOM 310 CG ASP A 22 -16.627 6.822 -9.146 1.00 0.00 C ATOM 311 OD1 ASP A 22 -17.590 6.125 -8.762 1.00 0.00 O ATOM 312 OD2 ASP A 22 -16.756 7.979 -9.598 1.00 0.00 O ATOM 0 H ASP A 22 -15.728 6.914 -5.984 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.746 5.770 -7.578 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.601 6.687 -9.824 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.277 5.166 -9.274 1.00 0.00 H new ATOM 317 N VAL A 23 -12.985 8.174 -8.245 1.00 0.00 N ATOM 318 CA VAL A 23 -12.398 9.509 -8.213 1.00 0.00 C ATOM 319 C VAL A 23 -11.678 9.824 -9.520 1.00 0.00 C ATOM 320 O VAL A 23 -11.085 8.943 -10.141 1.00 0.00 O ATOM 321 CB VAL A 23 -11.407 9.659 -7.044 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.782 11.046 -7.048 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.101 9.381 -5.719 1.00 0.00 C ATOM 0 H VAL A 23 -12.480 7.505 -8.826 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.219 10.213 -8.075 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.609 8.927 -7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.085 11.133 -6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.248 11.202 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.565 11.798 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.386 9.491 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.920 10.087 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.495 8.365 -5.721 1.00 0.00 H new ATOM 333 N ASP A 24 -11.734 11.086 -9.930 1.00 0.00 N ATOM 334 CA ASP A 24 -11.085 11.519 -11.162 1.00 0.00 C ATOM 335 C ASP A 24 -10.758 13.008 -11.110 1.00 0.00 C ATOM 336 O ASP A 24 -11.639 13.854 -11.263 1.00 0.00 O ATOM 337 CB ASP A 24 -11.981 11.223 -12.366 1.00 0.00 C ATOM 338 CG ASP A 24 -13.449 11.454 -12.066 1.00 0.00 C ATOM 339 OD1 ASP A 24 -13.756 12.371 -11.275 1.00 0.00 O ATOM 340 OD2 ASP A 24 -14.291 10.720 -12.624 1.00 0.00 O ATOM 0 H ASP A 24 -12.222 11.827 -9.427 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.153 10.964 -11.267 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.681 11.854 -13.203 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.835 10.189 -12.678 1.00 0.00 H new ATOM 345 N VAL A 25 -9.485 13.322 -10.891 1.00 0.00 N ATOM 346 CA VAL A 25 -9.040 14.708 -10.818 1.00 0.00 C ATOM 347 C VAL A 25 -7.602 14.851 -11.304 1.00 0.00 C ATOM 348 O VAL A 25 -6.865 13.869 -11.385 1.00 0.00 O ATOM 349 CB VAL A 25 -9.142 15.256 -9.382 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.558 15.097 -8.849 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.140 14.558 -8.475 1.00 0.00 C ATOM 0 H VAL A 25 -8.743 12.634 -10.761 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.698 15.285 -11.467 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.904 16.320 -9.399 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.611 15.490 -7.834 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.251 15.646 -9.487 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.829 14.041 -8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.225 14.957 -7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.346 13.488 -8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.130 14.729 -8.849 1.00 0.00 H new ATOM 361 N GLN A 26 -7.211 16.080 -11.626 1.00 0.00 N ATOM 362 CA GLN A 26 -5.861 16.350 -12.105 1.00 0.00 C ATOM 363 C GLN A 26 -4.826 15.993 -11.043 1.00 0.00 C ATOM 364 O GLN A 26 -4.989 16.323 -9.869 1.00 0.00 O ATOM 365 CB GLN A 26 -5.721 17.823 -12.495 1.00 0.00 C ATOM 366 CG GLN A 26 -5.607 18.760 -11.304 1.00 0.00 C ATOM 367 CD GLN A 26 -6.260 20.105 -11.556 1.00 0.00 C ATOM 368 OE1 GLN A 26 -7.162 20.225 -12.385 1.00 0.00 O ATOM 369 NE2 GLN A 26 -5.805 21.127 -10.839 1.00 0.00 N ATOM 0 H GLN A 26 -7.810 16.904 -11.564 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.683 15.730 -12.984 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.839 17.941 -13.125 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.583 18.115 -13.095 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.069 18.293 -10.434 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.554 18.910 -11.064 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.055 20.982 -10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.205 22.057 -10.965 1.00 0.00 H new ATOM 378 N GLU A 27 -3.761 15.318 -11.465 1.00 0.00 N ATOM 379 CA GLU A 27 -2.700 14.915 -10.549 1.00 0.00 C ATOM 380 C GLU A 27 -2.207 16.106 -9.732 1.00 0.00 C ATOM 381 O GLU A 27 -2.261 17.248 -10.184 1.00 0.00 O ATOM 382 CB GLU A 27 -1.535 14.296 -11.324 1.00 0.00 C ATOM 383 CG GLU A 27 -0.586 15.323 -11.920 1.00 0.00 C ATOM 384 CD GLU A 27 0.626 15.573 -11.045 1.00 0.00 C ATOM 385 OE1 GLU A 27 1.640 14.865 -11.219 1.00 0.00 O ATOM 386 OE2 GLU A 27 0.561 16.477 -10.186 1.00 0.00 O ATOM 0 H GLU A 27 -3.610 15.039 -12.434 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.108 14.171 -9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.975 13.639 -10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.933 13.673 -12.125 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.257 14.982 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.120 16.261 -12.071 1.00 0.00 H new ATOM 393 N GLY A 28 -1.724 15.828 -8.524 1.00 0.00 N ATOM 394 CA GLY A 28 -1.229 16.885 -7.662 1.00 0.00 C ATOM 395 C GLY A 28 -2.289 17.401 -6.710 1.00 0.00 C ATOM 396 O GLY A 28 -1.972 18.014 -5.691 1.00 0.00 O ATOM 0 H GLY A 28 -1.667 14.890 -8.128 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.380 16.514 -7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.864 17.709 -8.275 1.00 0.00 H new ATOM 400 N SER A 29 -3.552 17.155 -7.043 1.00 0.00 N ATOM 401 CA SER A 29 -4.663 17.605 -6.213 1.00 0.00 C ATOM 402 C SER A 29 -4.932 16.616 -5.083 1.00 0.00 C ATOM 403 O SER A 29 -4.210 15.633 -4.919 1.00 0.00 O ATOM 404 CB SER A 29 -5.923 17.782 -7.062 1.00 0.00 C ATOM 405 OG SER A 29 -5.857 18.971 -7.831 1.00 0.00 O ATOM 0 H SER A 29 -3.831 16.646 -7.882 1.00 0.00 H new ATOM 0 HA SER A 29 -4.391 18.565 -5.775 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.043 16.924 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.800 17.812 -6.415 1.00 0.00 H new ATOM 0 HG SER A 29 -6.673 19.060 -8.366 1.00 0.00 H new ATOM 411 N SER A 30 -5.977 16.884 -4.307 1.00 0.00 N ATOM 412 CA SER A 30 -6.341 16.020 -3.190 1.00 0.00 C ATOM 413 C SER A 30 -7.609 15.232 -3.503 1.00 0.00 C ATOM 414 O SER A 30 -8.717 15.764 -3.432 1.00 0.00 O ATOM 415 CB SER A 30 -6.543 16.850 -1.920 1.00 0.00 C ATOM 416 OG SER A 30 -5.932 18.123 -2.041 1.00 0.00 O ATOM 0 H SER A 30 -6.587 17.692 -4.431 1.00 0.00 H new ATOM 0 HA SER A 30 -5.526 15.314 -3.029 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.609 16.971 -1.727 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.122 16.321 -1.065 1.00 0.00 H new ATOM 0 HG SER A 30 -6.076 18.635 -1.218 1.00 0.00 H new ATOM 422 N ALA A 31 -7.438 13.961 -3.850 1.00 0.00 N ATOM 423 CA ALA A 31 -8.568 13.098 -4.172 1.00 0.00 C ATOM 424 C ALA A 31 -9.172 12.490 -2.911 1.00 0.00 C ATOM 425 O ALA A 31 -8.491 11.793 -2.157 1.00 0.00 O ATOM 426 CB ALA A 31 -8.137 12.001 -5.135 1.00 0.00 C ATOM 0 H ALA A 31 -6.528 13.506 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.333 13.708 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.991 11.364 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.760 12.451 -6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.351 11.401 -4.675 1.00 0.00 H new ATOM 432 N THR A 32 -10.454 12.758 -2.685 1.00 0.00 N ATOM 433 CA THR A 32 -11.149 12.239 -1.514 1.00 0.00 C ATOM 434 C THR A 32 -11.730 10.857 -1.787 1.00 0.00 C ATOM 435 O THR A 32 -12.374 10.634 -2.812 1.00 0.00 O ATOM 436 CB THR A 32 -12.285 13.182 -1.071 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.749 14.462 -0.720 1.00 0.00 O ATOM 438 CG2 THR A 32 -13.040 12.600 0.114 1.00 0.00 C ATOM 0 H THR A 32 -11.032 13.332 -3.298 1.00 0.00 H new ATOM 0 HA THR A 32 -10.412 12.169 -0.714 1.00 0.00 H new ATOM 0 HB THR A 32 -12.980 13.295 -1.903 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.477 15.056 -0.441 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.837 13.283 0.409 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.471 11.639 -0.166 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.354 12.461 0.950 1.00 0.00 H new ATOM 446 N PHE A 33 -11.499 9.930 -0.863 1.00 0.00 N ATOM 447 CA PHE A 33 -11.999 8.568 -1.004 1.00 0.00 C ATOM 448 C PHE A 33 -12.823 8.162 0.214 1.00 0.00 C ATOM 449 O PHE A 33 -12.306 7.558 1.154 1.00 0.00 O ATOM 450 CB PHE A 33 -10.836 7.592 -1.195 1.00 0.00 C ATOM 451 CG PHE A 33 -10.384 7.470 -2.622 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.129 6.746 -3.539 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.214 8.079 -3.047 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.716 6.632 -4.854 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.796 7.968 -4.360 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.547 7.243 -5.264 1.00 0.00 C ATOM 0 H PHE A 33 -10.968 10.098 -0.008 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.642 8.533 -1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.995 7.917 -0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.134 6.609 -0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.043 6.265 -3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.622 8.647 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.307 6.066 -5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.883 8.448 -4.679 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.221 7.154 -6.290 1.00 0.00 H new ATOM 466 N ARG A 34 -14.109 8.498 0.190 1.00 0.00 N ATOM 467 CA ARG A 34 -15.005 8.171 1.292 1.00 0.00 C ATOM 468 C ARG A 34 -15.422 6.704 1.236 1.00 0.00 C ATOM 469 O ARG A 34 -15.607 6.142 0.156 1.00 0.00 O ATOM 470 CB ARG A 34 -16.244 9.067 1.254 1.00 0.00 C ATOM 471 CG ARG A 34 -16.680 9.563 2.622 1.00 0.00 C ATOM 472 CD ARG A 34 -17.795 10.592 2.513 1.00 0.00 C ATOM 473 NE ARG A 34 -19.103 9.965 2.345 1.00 0.00 N ATOM 474 CZ ARG A 34 -19.629 9.668 1.161 1.00 0.00 C ATOM 475 NH1 ARG A 34 -18.960 9.938 0.049 1.00 0.00 N ATOM 476 NH2 ARG A 34 -20.825 9.099 1.090 1.00 0.00 N ATOM 0 H ARG A 34 -14.553 8.997 -0.581 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.470 8.344 2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.041 9.925 0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.066 8.516 0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.019 8.720 3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.827 10.002 3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.803 11.214 3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.598 11.252 1.668 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.642 9.743 3.182 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.040 10.375 0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.366 9.709 -0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -21.341 8.889 1.944 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -21.228 8.871 0.181 1.00 0.00 H new ATOM 490 N CYS A 35 -15.569 6.092 2.406 1.00 0.00 N ATOM 491 CA CYS A 35 -15.964 4.690 2.490 1.00 0.00 C ATOM 492 C CYS A 35 -16.413 4.336 3.904 1.00 0.00 C ATOM 493 O CYS A 35 -15.699 4.590 4.875 1.00 0.00 O ATOM 494 CB CYS A 35 -14.804 3.786 2.069 1.00 0.00 C ATOM 495 SG CYS A 35 -13.260 4.106 2.954 1.00 0.00 S ATOM 0 H CYS A 35 -15.421 6.544 3.308 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.803 4.533 1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.092 2.747 2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.630 3.910 1.000 1.00 0.00 H new ATOM 0 HG CYS A 35 -13.239 5.342 3.357 1.00 0.00 H new ATOM 501 N ARG A 36 -17.601 3.749 4.012 1.00 0.00 N ATOM 502 CA ARG A 36 -18.147 3.363 5.308 1.00 0.00 C ATOM 503 C ARG A 36 -17.857 1.895 5.604 1.00 0.00 C ATOM 504 O ARG A 36 -18.258 1.008 4.850 1.00 0.00 O ATOM 505 CB ARG A 36 -19.655 3.614 5.345 1.00 0.00 C ATOM 506 CG ARG A 36 -20.189 3.917 6.735 1.00 0.00 C ATOM 507 CD ARG A 36 -21.708 3.991 6.745 1.00 0.00 C ATOM 508 NE ARG A 36 -22.218 4.587 7.977 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.512 4.743 8.236 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.420 4.349 7.355 1.00 0.00 N ATOM 511 NH2 ARG A 36 -23.898 5.294 9.380 1.00 0.00 N ATOM 0 H ARG A 36 -18.203 3.531 3.218 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.666 3.972 6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.892 4.448 4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.170 2.738 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.857 3.145 7.430 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.775 4.862 7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.048 4.577 5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.121 2.989 6.629 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.545 4.900 8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.126 3.925 6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.413 4.470 7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.201 5.598 10.060 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.891 5.414 9.579 1.00 0.00 H new ATOM 525 N ILE A 37 -17.157 1.646 6.706 1.00 0.00 N ATOM 526 CA ILE A 37 -16.814 0.285 7.101 1.00 0.00 C ATOM 527 C ILE A 37 -17.071 0.064 8.588 1.00 0.00 C ATOM 528 O ILE A 37 -16.676 0.876 9.425 1.00 0.00 O ATOM 529 CB ILE A 37 -15.340 -0.036 6.793 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.416 0.837 7.645 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.052 0.166 5.313 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.819 0.109 8.829 1.00 0.00 C ATOM 0 H ILE A 37 -16.817 2.368 7.341 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.451 -0.383 6.521 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.152 -1.081 7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.609 1.217 7.018 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.975 1.701 8.004 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -14.006 -0.065 5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.689 -0.494 4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.254 1.202 5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.175 0.789 9.387 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.619 -0.248 9.478 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.232 -0.739 8.476 1.00 0.00 H new ATOM 544 N SER A 38 -17.735 -1.042 8.910 1.00 0.00 N ATOM 545 CA SER A 38 -18.047 -1.371 10.296 1.00 0.00 C ATOM 546 C SER A 38 -16.944 -2.225 10.913 1.00 0.00 C ATOM 547 O SER A 38 -16.248 -2.975 10.229 1.00 0.00 O ATOM 548 CB SER A 38 -19.385 -2.107 10.379 1.00 0.00 C ATOM 549 OG SER A 38 -19.370 -3.076 11.413 1.00 0.00 O ATOM 0 H SER A 38 -18.067 -1.725 8.230 1.00 0.00 H new ATOM 0 HA SER A 38 -18.118 -0.439 10.858 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.187 -1.391 10.559 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.597 -2.591 9.426 1.00 0.00 H new ATOM 0 HG SER A 38 -20.237 -3.532 11.447 1.00 0.00 H new ATOM 555 N PRO A 39 -16.780 -2.111 12.239 1.00 0.00 N ATOM 556 CA PRO A 39 -17.602 -1.221 13.065 1.00 0.00 C ATOM 557 C PRO A 39 -17.305 0.252 12.802 1.00 0.00 C ATOM 558 O PRO A 39 -16.413 0.586 12.023 1.00 0.00 O ATOM 559 CB PRO A 39 -17.208 -1.598 14.495 1.00 0.00 C ATOM 560 CG PRO A 39 -15.832 -2.156 14.374 1.00 0.00 C ATOM 561 CD PRO A 39 -15.778 -2.840 13.035 1.00 0.00 C ATOM 0 HA PRO A 39 -18.665 -1.339 12.856 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.226 -0.729 15.153 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.897 -2.331 14.915 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.084 -1.366 14.439 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.624 -2.860 15.180 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.785 -2.774 12.590 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.021 -3.899 13.115 1.00 0.00 H new ATOM 569 N ALA A 40 -18.060 1.129 13.456 1.00 0.00 N ATOM 570 CA ALA A 40 -17.876 2.566 13.295 1.00 0.00 C ATOM 571 C ALA A 40 -16.711 3.068 14.140 1.00 0.00 C ATOM 572 O ALA A 40 -16.406 4.260 14.148 1.00 0.00 O ATOM 573 CB ALA A 40 -19.154 3.306 13.661 1.00 0.00 C ATOM 0 H ALA A 40 -18.805 0.869 14.102 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.643 2.763 12.249 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -19.002 4.378 13.536 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.964 2.976 13.011 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.412 3.095 14.699 1.00 0.00 H new ATOM 579 N ASN A 41 -16.062 2.151 14.851 1.00 0.00 N ATOM 580 CA ASN A 41 -14.931 2.503 15.701 1.00 0.00 C ATOM 581 C ASN A 41 -13.723 1.625 15.389 1.00 0.00 C ATOM 582 O ASN A 41 -12.934 1.297 16.276 1.00 0.00 O ATOM 583 CB ASN A 41 -15.311 2.360 17.176 1.00 0.00 C ATOM 584 CG ASN A 41 -14.400 3.160 18.088 1.00 0.00 C ATOM 585 OD1 ASN A 41 -13.832 4.174 17.681 1.00 0.00 O ATOM 586 ND2 ASN A 41 -14.257 2.706 19.327 1.00 0.00 N ATOM 0 H ASN A 41 -16.300 1.159 14.855 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.666 3.541 15.500 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.341 2.688 17.317 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -15.271 1.308 17.458 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.657 3.202 19.986 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.747 1.861 19.620 1.00 0.00 H new ATOM 593 N TYR A 42 -13.583 1.249 14.122 1.00 0.00 N ATOM 594 CA TYR A 42 -12.473 0.408 13.692 1.00 0.00 C ATOM 595 C TYR A 42 -11.261 1.255 13.316 1.00 0.00 C ATOM 596 O TYR A 42 -11.379 2.229 12.572 1.00 0.00 O ATOM 597 CB TYR A 42 -12.892 -0.459 12.504 1.00 0.00 C ATOM 598 CG TYR A 42 -11.864 -1.500 12.121 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.736 -1.152 11.387 1.00 0.00 C ATOM 600 CD2 TYR A 42 -12.021 -2.829 12.491 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.794 -2.100 11.034 1.00 0.00 C ATOM 602 CE2 TYR A 42 -11.083 -3.783 12.144 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.972 -3.413 11.415 1.00 0.00 C ATOM 604 OH TYR A 42 -9.037 -4.360 11.066 1.00 0.00 O ATOM 0 H TYR A 42 -14.225 1.514 13.375 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.197 -0.239 14.525 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.831 -0.959 12.743 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.083 0.184 11.645 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.593 -0.124 11.088 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.891 -3.122 13.060 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.923 -1.814 10.463 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.219 -4.812 12.442 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.312 -5.234 11.413 1.00 0.00 H new ATOM 614 N GLU A 43 -10.098 0.877 13.835 1.00 0.00 N ATOM 615 CA GLU A 43 -8.864 1.602 13.553 1.00 0.00 C ATOM 616 C GLU A 43 -7.683 0.971 14.286 1.00 0.00 C ATOM 617 O GLU A 43 -7.845 0.242 15.264 1.00 0.00 O ATOM 618 CB GLU A 43 -9.006 3.070 13.960 1.00 0.00 C ATOM 619 CG GLU A 43 -9.875 3.281 15.188 1.00 0.00 C ATOM 620 CD GLU A 43 -9.503 4.532 15.959 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.090 5.522 15.319 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.623 4.521 17.202 1.00 0.00 O ATOM 0 H GLU A 43 -9.984 0.073 14.453 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.676 1.546 12.481 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.015 3.482 14.151 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.429 3.630 13.126 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.919 3.344 14.883 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.787 2.415 15.844 1.00 0.00 H new ATOM 629 N PRO A 44 -6.466 1.258 13.801 1.00 0.00 N ATOM 630 CA PRO A 44 -6.261 2.124 12.636 1.00 0.00 C ATOM 631 C PRO A 44 -6.732 1.474 11.340 1.00 0.00 C ATOM 632 O PRO A 44 -7.156 0.318 11.332 1.00 0.00 O ATOM 633 CB PRO A 44 -4.745 2.332 12.610 1.00 0.00 C ATOM 634 CG PRO A 44 -4.187 1.136 13.303 1.00 0.00 C ATOM 635 CD PRO A 44 -5.195 0.758 14.352 1.00 0.00 C ATOM 0 HA PRO A 44 -6.830 3.050 12.712 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.373 2.407 11.588 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.463 3.253 13.120 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.028 0.317 12.601 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.221 1.362 13.754 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.223 -0.320 14.512 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.966 1.217 15.314 1.00 0.00 H new ATOM 643 N VAL A 45 -6.653 2.223 10.244 1.00 0.00 N ATOM 644 CA VAL A 45 -7.070 1.718 8.942 1.00 0.00 C ATOM 645 C VAL A 45 -5.905 1.709 7.958 1.00 0.00 C ATOM 646 O VAL A 45 -5.011 2.553 8.029 1.00 0.00 O ATOM 647 CB VAL A 45 -8.217 2.561 8.354 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.524 2.259 9.072 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.885 4.043 8.435 1.00 0.00 C ATOM 0 H VAL A 45 -6.304 3.181 10.233 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.421 0.698 9.096 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.337 2.296 7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.323 2.864 8.643 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.767 1.203 8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.420 2.494 10.131 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.707 4.623 8.015 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.736 4.326 9.477 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.974 4.243 7.871 1.00 0.00 H new ATOM 659 N HIS A 46 -5.922 0.749 7.039 1.00 0.00 N ATOM 660 CA HIS A 46 -4.867 0.630 6.038 1.00 0.00 C ATOM 661 C HIS A 46 -5.374 1.048 4.662 1.00 0.00 C ATOM 662 O HIS A 46 -6.526 0.794 4.311 1.00 0.00 O ATOM 663 CB HIS A 46 -4.343 -0.806 5.987 1.00 0.00 C ATOM 664 CG HIS A 46 -3.945 -1.346 7.326 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.269 -0.600 8.268 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.132 -2.567 7.880 1.00 0.00 C ATOM 667 CE1 HIS A 46 -3.056 -1.339 9.342 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.571 -2.537 9.133 1.00 0.00 N ATOM 0 H HIS A 46 -6.654 0.042 6.966 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.053 1.296 6.323 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.111 -1.449 5.559 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.484 -0.847 5.318 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.630 -3.409 7.422 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.547 -1.018 10.239 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.555 -3.313 9.794 1.00 0.00 H new ATOM 676 N TRP A 47 -4.507 1.690 3.888 1.00 0.00 N ATOM 677 CA TRP A 47 -4.868 2.144 2.549 1.00 0.00 C ATOM 678 C TRP A 47 -3.756 1.839 1.552 1.00 0.00 C ATOM 679 O TRP A 47 -2.590 2.158 1.790 1.00 0.00 O ATOM 680 CB TRP A 47 -5.162 3.645 2.560 1.00 0.00 C ATOM 681 CG TRP A 47 -6.395 4.004 3.332 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.573 3.908 4.683 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.622 4.513 2.799 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.838 4.327 5.021 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.501 4.704 3.883 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.064 4.829 1.511 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.793 5.195 3.717 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.347 5.315 1.348 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.199 5.495 2.445 1.00 0.00 C ATOM 0 H TRP A 47 -3.549 1.908 4.164 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.765 1.607 2.240 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.309 4.172 2.987 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.271 3.994 1.533 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.830 3.555 5.382 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.221 4.353 5.966 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.414 4.696 0.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.451 5.334 4.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.699 5.560 0.357 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.196 5.878 2.284 1.00 0.00 H new ATOM 700 N PHE A 48 -4.122 1.219 0.435 1.00 0.00 N ATOM 701 CA PHE A 48 -3.154 0.870 -0.598 1.00 0.00 C ATOM 702 C PHE A 48 -3.599 1.394 -1.960 1.00 0.00 C ATOM 703 O PHE A 48 -4.779 1.673 -2.175 1.00 0.00 O ATOM 704 CB PHE A 48 -2.967 -0.648 -0.660 1.00 0.00 C ATOM 705 CG PHE A 48 -2.402 -1.234 0.602 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.215 -1.466 1.700 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.056 -1.553 0.691 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.698 -2.006 2.862 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.533 -2.093 1.851 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.355 -2.318 2.938 1.00 0.00 C ATOM 0 H PHE A 48 -5.082 0.948 0.222 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.203 1.337 -0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.929 -1.116 -0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.306 -0.891 -1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.266 -1.222 1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.409 -1.378 -0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.343 -2.184 3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.517 -2.339 1.907 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.948 -2.737 3.846 1.00 0.00 H new ATOM 720 N LEU A 49 -2.646 1.527 -2.876 1.00 0.00 N ATOM 721 CA LEU A 49 -2.938 2.019 -4.218 1.00 0.00 C ATOM 722 C LEU A 49 -2.246 1.163 -5.274 1.00 0.00 C ATOM 723 O LEU A 49 -1.042 1.289 -5.498 1.00 0.00 O ATOM 724 CB LEU A 49 -2.495 3.476 -4.356 1.00 0.00 C ATOM 725 CG LEU A 49 -2.803 4.148 -5.695 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.706 3.850 -6.705 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.155 3.690 -6.223 1.00 0.00 C ATOM 0 H LEU A 49 -1.665 1.301 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.015 1.957 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.969 4.055 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.419 3.525 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.843 5.226 -5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.941 4.336 -7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.754 4.227 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.635 2.773 -6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.358 4.178 -7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.143 2.609 -6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.934 3.954 -5.507 1.00 0.00 H new ATOM 739 N ASP A 50 -3.016 0.295 -5.922 1.00 0.00 N ATOM 740 CA ASP A 50 -2.477 -0.580 -6.957 1.00 0.00 C ATOM 741 C ASP A 50 -1.472 -1.564 -6.368 1.00 0.00 C ATOM 742 O ASP A 50 -1.807 -2.713 -6.080 1.00 0.00 O ATOM 743 CB ASP A 50 -1.814 0.248 -8.059 1.00 0.00 C ATOM 744 CG ASP A 50 -2.710 0.423 -9.270 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.932 0.198 -9.142 1.00 0.00 O ATOM 746 OD2 ASP A 50 -2.190 0.787 -10.345 1.00 0.00 O ATOM 0 H ASP A 50 -4.014 0.179 -5.749 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.303 -1.147 -7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.548 1.228 -7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.886 -0.235 -8.364 1.00 0.00 H new ATOM 751 N LYS A 51 -0.237 -1.107 -6.194 1.00 0.00 N ATOM 752 CA LYS A 51 0.819 -1.946 -5.639 1.00 0.00 C ATOM 753 C LYS A 51 1.740 -1.135 -4.733 1.00 0.00 C ATOM 754 O LYS A 51 2.952 -1.353 -4.706 1.00 0.00 O ATOM 755 CB LYS A 51 1.632 -2.589 -6.765 1.00 0.00 C ATOM 756 CG LYS A 51 0.826 -3.548 -7.626 1.00 0.00 C ATOM 757 CD LYS A 51 1.420 -3.680 -9.018 1.00 0.00 C ATOM 758 CE LYS A 51 2.460 -4.788 -9.078 1.00 0.00 C ATOM 759 NZ LYS A 51 2.561 -5.382 -10.440 1.00 0.00 N ATOM 0 H LYS A 51 0.058 -0.159 -6.429 1.00 0.00 H new ATOM 0 HA LYS A 51 0.350 -2.729 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.044 -1.804 -7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.477 -3.125 -6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.793 -4.527 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.203 -3.195 -7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.626 -3.886 -9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.877 -2.735 -9.311 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.431 -4.391 -8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.202 -5.567 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.280 -6.133 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.641 -5.784 -10.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.832 -4.644 -11.121 1.00 0.00 H new ATOM 773 N THR A 52 1.157 -0.198 -3.991 1.00 0.00 N ATOM 774 CA THR A 52 1.925 0.645 -3.083 1.00 0.00 C ATOM 775 C THR A 52 1.086 1.067 -1.882 1.00 0.00 C ATOM 776 O THR A 52 -0.055 1.510 -2.017 1.00 0.00 O ATOM 777 CB THR A 52 2.450 1.905 -3.797 1.00 0.00 C ATOM 778 OG1 THR A 52 3.115 1.540 -5.011 1.00 0.00 O ATOM 779 CG2 THR A 52 3.407 2.676 -2.900 1.00 0.00 C ATOM 0 H THR A 52 0.156 -0.004 -4.001 1.00 0.00 H new ATOM 0 HA THR A 52 2.772 0.051 -2.740 1.00 0.00 H new ATOM 0 HB THR A 52 1.599 2.545 -4.029 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.444 2.347 -5.459 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.765 3.561 -3.426 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.889 2.979 -1.990 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.254 2.041 -2.641 1.00 0.00 H new ATOM 787 N PRO A 53 1.662 0.928 -0.679 1.00 0.00 N ATOM 788 CA PRO A 53 0.984 1.290 0.569 1.00 0.00 C ATOM 789 C PRO A 53 0.811 2.798 0.718 1.00 0.00 C ATOM 790 O PRO A 53 1.422 3.579 -0.013 1.00 0.00 O ATOM 791 CB PRO A 53 1.923 0.751 1.652 1.00 0.00 C ATOM 792 CG PRO A 53 3.265 0.716 1.006 1.00 0.00 C ATOM 793 CD PRO A 53 3.019 0.407 -0.445 1.00 0.00 C ATOM 0 HA PRO A 53 -0.025 0.881 0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.924 1.395 2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.617 -0.241 1.983 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.778 1.671 1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.899 -0.043 1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.752 0.892 -1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.078 -0.663 -0.644 1.00 0.00 H new ATOM 801 N LEU A 54 -0.025 3.202 1.668 1.00 0.00 N ATOM 802 CA LEU A 54 -0.279 4.617 1.913 1.00 0.00 C ATOM 803 C LEU A 54 -0.415 4.896 3.406 1.00 0.00 C ATOM 804 O LEU A 54 -1.147 4.203 4.114 1.00 0.00 O ATOM 805 CB LEU A 54 -1.547 5.062 1.182 1.00 0.00 C ATOM 806 CG LEU A 54 -1.517 4.951 -0.343 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.922 4.760 -0.892 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.867 6.184 -0.954 1.00 0.00 C ATOM 0 H LEU A 54 -0.539 2.569 2.281 1.00 0.00 H new ATOM 0 HA LEU A 54 0.571 5.184 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.383 4.469 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.750 6.100 1.447 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.922 4.079 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.881 4.683 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.353 3.848 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.541 5.612 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.854 6.088 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.435 7.071 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.155 6.277 -0.586 1.00 0.00 H new ATOM 820 N HIS A 55 0.294 5.916 3.880 1.00 0.00 N ATOM 821 CA HIS A 55 0.250 6.288 5.290 1.00 0.00 C ATOM 822 C HIS A 55 0.097 7.798 5.448 1.00 0.00 C ATOM 823 O HIS A 55 0.607 8.571 4.639 1.00 0.00 O ATOM 824 CB HIS A 55 1.517 5.814 6.003 1.00 0.00 C ATOM 825 CG HIS A 55 1.892 4.400 5.682 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.167 3.311 6.119 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.922 3.900 4.960 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.737 2.202 5.681 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.803 2.532 4.975 1.00 0.00 N ATOM 0 H HIS A 55 0.905 6.499 3.309 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.615 5.804 5.743 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.344 6.471 5.732 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.375 5.908 7.080 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.694 4.471 4.464 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.390 1.197 5.869 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.435 1.877 4.515 1.00 0.00 H new ATOM 837 N ALA A 56 -0.609 8.209 6.496 1.00 0.00 N ATOM 838 CA ALA A 56 -0.828 9.625 6.762 1.00 0.00 C ATOM 839 C ALA A 56 0.495 10.381 6.835 1.00 0.00 C ATOM 840 O ALA A 56 1.423 9.961 7.525 1.00 0.00 O ATOM 841 CB ALA A 56 -1.613 9.806 8.052 1.00 0.00 C ATOM 0 H ALA A 56 -1.039 7.581 7.175 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.408 10.038 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.769 10.869 8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.578 9.308 7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.055 9.371 8.881 1.00 0.00 H new ATOM 847 N ASN A 57 0.574 11.498 6.118 1.00 0.00 N ATOM 848 CA ASN A 57 1.784 12.311 6.101 1.00 0.00 C ATOM 849 C ASN A 57 1.461 13.759 5.747 1.00 0.00 C ATOM 850 O ASN A 57 0.295 14.132 5.620 1.00 0.00 O ATOM 851 CB ASN A 57 2.792 11.742 5.101 1.00 0.00 C ATOM 852 CG ASN A 57 3.385 10.425 5.563 1.00 0.00 C ATOM 853 OD1 ASN A 57 3.059 9.364 5.032 1.00 0.00 O ATOM 854 ND2 ASN A 57 4.262 10.489 6.559 1.00 0.00 N ATOM 0 H ASN A 57 -0.186 11.860 5.542 1.00 0.00 H new ATOM 0 HA ASN A 57 2.221 12.288 7.099 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.303 11.599 4.138 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.594 12.464 4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.695 9.636 6.913 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.503 11.391 6.969 1.00 0.00 H new ATOM 861 N GLU A 58 2.502 14.570 5.587 1.00 0.00 N ATOM 862 CA GLU A 58 2.328 15.978 5.247 1.00 0.00 C ATOM 863 C GLU A 58 1.435 16.135 4.020 1.00 0.00 C ATOM 864 O GLU A 58 0.759 17.151 3.856 1.00 0.00 O ATOM 865 CB GLU A 58 3.686 16.635 4.991 1.00 0.00 C ATOM 866 CG GLU A 58 3.585 18.030 4.397 1.00 0.00 C ATOM 867 CD GLU A 58 4.598 18.990 4.987 1.00 0.00 C ATOM 868 OE1 GLU A 58 4.670 19.086 6.231 1.00 0.00 O ATOM 869 OE2 GLU A 58 5.320 19.647 4.208 1.00 0.00 O ATOM 0 H GLU A 58 3.474 14.277 5.687 1.00 0.00 H new ATOM 0 HA GLU A 58 1.847 16.472 6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.237 16.688 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.265 16.003 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.730 17.973 3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.581 18.420 4.564 1.00 0.00 H new ATOM 876 N LEU A 59 1.438 15.122 3.160 1.00 0.00 N ATOM 877 CA LEU A 59 0.629 15.147 1.947 1.00 0.00 C ATOM 878 C LEU A 59 -0.554 14.190 2.062 1.00 0.00 C ATOM 879 O LEU A 59 -1.655 14.491 1.602 1.00 0.00 O ATOM 880 CB LEU A 59 1.483 14.776 0.733 1.00 0.00 C ATOM 881 CG LEU A 59 2.822 15.503 0.607 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.703 14.823 -0.429 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.604 16.965 0.248 1.00 0.00 C ATOM 0 H LEU A 59 1.991 14.274 3.281 1.00 0.00 H new ATOM 0 HA LEU A 59 0.244 16.158 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.676 13.704 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.901 14.969 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 59 3.329 15.459 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.652 15.354 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.888 13.792 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.202 14.835 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.568 17.466 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.075 17.031 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.012 17.447 1.027 1.00 0.00 H new ATOM 895 N ASN A 60 -0.318 13.037 2.679 1.00 0.00 N ATOM 896 CA ASN A 60 -1.365 12.037 2.856 1.00 0.00 C ATOM 897 C ASN A 60 -2.245 12.377 4.056 1.00 0.00 C ATOM 898 O ASN A 60 -1.747 12.606 5.157 1.00 0.00 O ATOM 899 CB ASN A 60 -0.747 10.649 3.039 1.00 0.00 C ATOM 900 CG ASN A 60 0.332 10.357 2.015 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.413 10.946 2.051 1.00 0.00 O ATOM 902 ND2 ASN A 60 0.043 9.444 1.096 1.00 0.00 N ATOM 0 H ASN A 60 0.588 12.772 3.065 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.987 12.035 1.961 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.324 10.572 4.041 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.529 9.893 2.964 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.730 9.205 0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.866 8.981 1.105 1.00 0.00 H new ATOM 909 N GLU A 61 -3.555 12.406 3.833 1.00 0.00 N ATOM 910 CA GLU A 61 -4.503 12.718 4.895 1.00 0.00 C ATOM 911 C GLU A 61 -5.525 11.596 5.059 1.00 0.00 C ATOM 912 O GLU A 61 -6.116 11.134 4.082 1.00 0.00 O ATOM 913 CB GLU A 61 -5.220 14.037 4.599 1.00 0.00 C ATOM 914 CG GLU A 61 -5.443 14.898 5.830 1.00 0.00 C ATOM 915 CD GLU A 61 -6.782 14.634 6.493 1.00 0.00 C ATOM 916 OE1 GLU A 61 -7.759 14.359 5.767 1.00 0.00 O ATOM 917 OE2 GLU A 61 -6.850 14.702 7.738 1.00 0.00 O ATOM 0 H GLU A 61 -3.983 12.217 2.927 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.946 12.818 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.637 14.602 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.184 13.821 4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.644 14.713 6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.382 15.949 5.549 1.00 0.00 H new ATOM 924 N ILE A 62 -5.728 11.164 6.299 1.00 0.00 N ATOM 925 CA ILE A 62 -6.678 10.098 6.590 1.00 0.00 C ATOM 926 C ILE A 62 -7.577 10.469 7.764 1.00 0.00 C ATOM 927 O ILE A 62 -7.247 10.205 8.921 1.00 0.00 O ATOM 928 CB ILE A 62 -5.959 8.774 6.908 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.117 8.326 5.711 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.968 7.700 7.284 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.771 7.755 6.099 1.00 0.00 C ATOM 0 H ILE A 62 -5.247 11.536 7.118 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.287 9.966 5.696 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.294 8.933 7.757 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.672 7.576 5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.964 9.176 5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.444 6.770 7.506 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.529 8.019 8.163 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.655 7.540 6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.229 7.459 5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.197 8.510 6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.916 6.885 6.739 1.00 0.00 H new ATOM 943 N ASP A 63 -8.716 11.081 7.459 1.00 0.00 N ATOM 944 CA ASP A 63 -9.666 11.486 8.489 1.00 0.00 C ATOM 945 C ASP A 63 -10.467 10.289 8.991 1.00 0.00 C ATOM 946 O ASP A 63 -10.240 9.156 8.567 1.00 0.00 O ATOM 947 CB ASP A 63 -10.613 12.558 7.947 1.00 0.00 C ATOM 948 CG ASP A 63 -10.840 13.684 8.935 1.00 0.00 C ATOM 949 OD1 ASP A 63 -9.843 14.249 9.429 1.00 0.00 O ATOM 950 OD2 ASP A 63 -12.016 14.001 9.215 1.00 0.00 O ATOM 0 H ASP A 63 -9.004 11.308 6.507 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.102 11.900 9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.204 12.967 7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.570 12.100 7.697 1.00 0.00 H new ATOM 955 N ALA A 64 -11.403 10.548 9.899 1.00 0.00 N ATOM 956 CA ALA A 64 -12.238 9.492 10.458 1.00 0.00 C ATOM 957 C ALA A 64 -13.626 10.017 10.808 1.00 0.00 C ATOM 958 O ALA A 64 -14.001 10.070 11.979 1.00 0.00 O ATOM 959 CB ALA A 64 -11.573 8.889 11.687 1.00 0.00 C ATOM 0 H ALA A 64 -11.602 11.480 10.263 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.353 8.715 9.703 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.207 8.102 12.094 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.607 8.469 11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.428 9.664 12.440 1.00 0.00 H new ATOM 965 N GLN A 65 -14.382 10.404 9.787 1.00 0.00 N ATOM 966 CA GLN A 65 -15.729 10.926 9.988 1.00 0.00 C ATOM 967 C GLN A 65 -16.558 9.976 10.846 1.00 0.00 C ATOM 968 O GLN A 65 -16.243 8.795 10.989 1.00 0.00 O ATOM 969 CB GLN A 65 -16.419 11.151 8.642 1.00 0.00 C ATOM 970 CG GLN A 65 -16.171 12.531 8.054 1.00 0.00 C ATOM 971 CD GLN A 65 -16.749 12.683 6.661 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.803 12.129 6.349 1.00 0.00 O ATOM 973 NE2 GLN A 65 -16.059 13.439 5.814 1.00 0.00 N ATOM 0 H GLN A 65 -14.085 10.366 8.812 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.647 11.880 10.509 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -16.073 10.397 7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.492 11.005 8.764 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.608 13.285 8.709 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.098 12.720 8.021 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.190 13.879 6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.399 13.579 4.862 1.00 0.00 H new ATOM 982 N PRO A 66 -17.644 10.502 11.432 1.00 0.00 N ATOM 983 CA PRO A 66 -18.541 9.718 12.286 1.00 0.00 C ATOM 984 C PRO A 66 -19.345 8.693 11.494 1.00 0.00 C ATOM 985 O PRO A 66 -19.871 8.994 10.424 1.00 0.00 O ATOM 986 CB PRO A 66 -19.470 10.775 12.889 1.00 0.00 C ATOM 987 CG PRO A 66 -19.457 11.895 11.908 1.00 0.00 C ATOM 988 CD PRO A 66 -18.080 11.903 11.306 1.00 0.00 C ATOM 0 HA PRO A 66 -17.993 9.138 13.029 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.477 10.383 13.029 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.116 11.101 13.867 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.217 11.750 11.141 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.674 12.845 12.397 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.098 12.226 10.265 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.413 12.581 11.838 1.00 0.00 H new ATOM 996 N GLY A 67 -19.436 7.478 12.028 1.00 0.00 N ATOM 997 CA GLY A 67 -20.178 6.427 11.358 1.00 0.00 C ATOM 998 C GLY A 67 -19.281 5.503 10.559 1.00 0.00 C ATOM 999 O GLY A 67 -19.719 4.885 9.590 1.00 0.00 O ATOM 0 H GLY A 67 -19.009 7.204 12.913 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.727 5.845 12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.917 6.875 10.694 1.00 0.00 H new ATOM 1003 N GLY A 68 -18.018 5.408 10.966 1.00 0.00 N ATOM 1004 CA GLY A 68 -17.076 4.552 10.269 1.00 0.00 C ATOM 1005 C GLY A 68 -16.750 5.060 8.879 1.00 0.00 C ATOM 1006 O GLY A 68 -16.439 4.277 7.981 1.00 0.00 O ATOM 0 H GLY A 68 -17.631 5.909 11.766 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.157 4.479 10.851 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.489 3.546 10.197 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.823 6.374 8.699 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.537 6.986 7.406 1.00 0.00 C ATOM 1012 C TYR A 69 -15.081 7.434 7.326 1.00 0.00 C ATOM 1013 O TYR A 69 -14.735 8.538 7.749 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.464 8.179 7.167 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.814 7.794 6.606 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -18.999 7.629 5.239 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -19.905 7.595 7.443 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.231 7.277 4.721 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -21.140 7.243 6.934 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.298 7.085 5.573 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.527 6.735 5.063 1.00 0.00 O ATOM 0 H TYR A 69 -17.078 7.036 9.432 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.711 6.239 6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.609 8.710 8.108 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.979 8.873 6.481 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -18.165 7.778 4.569 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -19.785 7.718 8.509 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -20.357 7.153 3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -21.978 7.092 7.599 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.523 6.852 4.090 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.232 6.570 6.779 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.812 6.877 6.641 1.00 0.00 C ATOM 1033 C HIS A 70 -12.543 7.628 5.341 1.00 0.00 C ATOM 1034 O HIS A 70 -12.680 7.072 4.251 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.985 5.591 6.682 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.008 4.907 8.015 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.280 5.349 9.100 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.676 3.808 8.434 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.500 4.550 10.129 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.343 3.607 9.751 1.00 0.00 N ATOM 0 H HIS A 70 -14.502 5.653 6.424 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.520 7.515 7.475 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.359 4.904 5.923 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.953 5.824 6.420 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.346 3.202 7.843 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.064 4.651 11.112 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.691 2.851 10.342 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.158 8.894 5.463 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.869 9.722 4.298 1.00 0.00 C ATOM 1050 C VAL A 71 -10.367 9.819 4.052 1.00 0.00 C ATOM 1051 O VAL A 71 -9.588 10.040 4.980 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.444 11.141 4.461 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.326 11.918 3.158 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.891 11.079 4.925 1.00 0.00 C ATOM 0 H VAL A 71 -12.039 9.369 6.358 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.344 9.242 3.443 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.865 11.664 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.737 12.918 3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.277 11.993 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.879 11.400 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.281 12.091 5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.486 10.538 4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.944 10.563 5.884 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.967 9.652 2.797 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.557 9.721 2.427 1.00 0.00 C ATOM 1066 C LEU A 72 -8.310 10.850 1.432 1.00 0.00 C ATOM 1067 O LEU A 72 -8.801 10.816 0.303 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.100 8.389 1.829 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.661 8.343 1.316 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.719 7.864 2.410 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.560 7.445 0.092 1.00 0.00 C ATOM 0 H LEU A 72 -10.599 9.468 2.018 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.980 9.924 3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.220 7.614 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.767 8.136 1.005 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.366 9.352 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.699 7.838 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.770 8.546 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.012 6.864 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.529 7.424 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.874 6.435 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.205 7.832 -0.697 1.00 0.00 H new ATOM 1083 N THR A 73 -7.544 11.850 1.857 1.00 0.00 N ATOM 1084 CA THR A 73 -7.230 12.989 1.003 1.00 0.00 C ATOM 1085 C THR A 73 -5.781 12.940 0.532 1.00 0.00 C ATOM 1086 O THR A 73 -4.897 13.534 1.149 1.00 0.00 O ATOM 1087 CB THR A 73 -7.476 14.323 1.733 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.596 14.198 2.616 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.731 15.445 0.738 1.00 0.00 C ATOM 0 H THR A 73 -7.129 11.894 2.788 1.00 0.00 H new ATOM 0 HA THR A 73 -7.892 12.929 0.139 1.00 0.00 H new ATOM 0 HB THR A 73 -6.584 14.566 2.310 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.290 14.267 3.544 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.902 16.377 1.277 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.865 15.557 0.086 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.609 15.206 0.138 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.545 12.230 -0.566 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.202 12.105 -1.121 1.00 0.00 C ATOM 1099 C LEU A 74 -3.772 13.399 -1.805 1.00 0.00 C ATOM 1100 O LEU A 74 -4.017 13.594 -2.996 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.147 10.945 -2.118 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.849 9.567 -1.528 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.195 8.472 -2.525 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.388 9.469 -1.112 1.00 0.00 C ATOM 0 H LEU A 74 -6.266 11.733 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.514 11.904 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.102 10.896 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.386 11.170 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.469 9.432 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.976 7.498 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.255 8.528 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.603 8.604 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.194 8.481 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.751 9.626 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.172 10.229 -0.361 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.129 14.278 -1.045 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.664 15.553 -1.577 1.00 0.00 C ATOM 1118 C ARG A 75 -1.368 15.374 -2.364 1.00 0.00 C ATOM 1119 O ARG A 75 -0.565 14.492 -2.061 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.450 16.557 -0.443 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.607 16.621 0.540 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.367 17.668 1.616 1.00 0.00 C ATOM 1123 NE ARG A 75 -4.618 18.179 2.172 1.00 0.00 N ATOM 1124 CZ ARG A 75 -4.690 18.874 3.301 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -3.590 19.141 3.991 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -5.865 19.305 3.742 1.00 0.00 N ATOM 0 H ARG A 75 -2.918 14.131 -0.058 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.429 15.936 -2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.540 16.294 0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.292 17.547 -0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.528 16.852 0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.745 15.645 1.005 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.765 17.235 2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.793 18.494 1.196 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.483 17.992 1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.685 18.812 3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.649 19.675 4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.714 19.102 3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.920 19.839 4.609 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.174 16.216 -3.374 1.00 0.00 N ATOM 1141 CA GLN A 76 0.023 16.149 -4.203 1.00 0.00 C ATOM 1142 C GLN A 76 0.159 14.776 -4.853 1.00 0.00 C ATOM 1143 O GLN A 76 1.150 14.074 -4.644 1.00 0.00 O ATOM 1144 CB GLN A 76 1.267 16.456 -3.367 1.00 0.00 C ATOM 1145 CG GLN A 76 1.508 17.943 -3.159 1.00 0.00 C ATOM 1146 CD GLN A 76 2.968 18.268 -2.912 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.315 18.899 -1.913 1.00 0.00 O ATOM 1148 NE2 GLN A 76 3.833 17.838 -3.823 1.00 0.00 N ATOM 0 H GLN A 76 -1.830 16.952 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.070 16.896 -4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.170 15.973 -2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.139 16.020 -3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.161 18.490 -4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.914 18.289 -2.313 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.502 17.319 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.829 18.027 -3.710 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.842 14.398 -5.640 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.834 13.108 -6.321 1.00 0.00 C ATOM 1159 C LEU A 77 -0.057 13.187 -7.631 1.00 0.00 C ATOM 1160 O LEU A 77 0.458 14.244 -7.995 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.266 12.644 -6.592 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.003 12.013 -5.410 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.503 12.231 -5.538 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.684 10.528 -5.314 1.00 0.00 C ATOM 0 H LEU A 77 -1.669 14.966 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.340 12.386 -5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.844 13.500 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.244 11.922 -7.408 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.663 12.497 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.011 11.775 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.715 13.300 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.860 11.774 -6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.217 10.095 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.995 10.029 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.611 10.395 -5.174 1.00 0.00 H new ATOM 1176 N ALA A 78 0.022 12.063 -8.336 1.00 0.00 N ATOM 1177 CA ALA A 78 0.733 12.007 -9.607 1.00 0.00 C ATOM 1178 C ALA A 78 -0.008 11.131 -10.612 1.00 0.00 C ATOM 1179 O ALA A 78 -0.796 10.263 -10.233 1.00 0.00 O ATOM 1180 CB ALA A 78 2.149 11.492 -9.398 1.00 0.00 C ATOM 0 H ALA A 78 -0.398 11.179 -8.048 1.00 0.00 H new ATOM 0 HA ALA A 78 0.782 13.018 -10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.668 11.456 -10.356 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.683 12.159 -8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.112 10.492 -8.967 1.00 0.00 H new ATOM 1186 N LEU A 79 0.248 11.364 -11.894 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.396 10.596 -12.955 1.00 0.00 C ATOM 1188 C LEU A 79 -0.148 9.103 -12.772 1.00 0.00 C ATOM 1189 O LEU A 79 -0.928 8.271 -13.237 1.00 0.00 O ATOM 1190 CB LEU A 79 0.120 11.047 -14.323 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.128 12.512 -14.684 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.765 12.935 -15.840 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.593 12.736 -15.029 1.00 0.00 C ATOM 0 H LEU A 79 0.897 12.078 -12.225 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.470 10.777 -12.901 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.193 10.860 -14.364 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.342 10.422 -15.087 1.00 0.00 H new ATOM 0 HG LEU A 79 0.118 13.126 -13.818 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.575 13.980 -16.083 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.810 12.813 -15.556 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.551 12.315 -16.711 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.751 13.784 -15.283 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.866 12.111 -15.879 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.213 12.473 -14.172 1.00 0.00 H new ATOM 1205 N LYS A 80 0.943 8.768 -12.091 1.00 0.00 N ATOM 1206 CA LYS A 80 1.293 7.374 -11.843 1.00 0.00 C ATOM 1207 C LYS A 80 0.402 6.774 -10.759 1.00 0.00 C ATOM 1208 O LYS A 80 0.179 5.564 -10.726 1.00 0.00 O ATOM 1209 CB LYS A 80 2.762 7.262 -11.431 1.00 0.00 C ATOM 1210 CG LYS A 80 3.038 7.755 -10.021 1.00 0.00 C ATOM 1211 CD LYS A 80 4.322 8.564 -9.954 1.00 0.00 C ATOM 1212 CE LYS A 80 4.830 8.687 -8.526 1.00 0.00 C ATOM 1213 NZ LYS A 80 4.351 9.936 -7.872 1.00 0.00 N ATOM 0 H LYS A 80 1.600 9.443 -11.701 1.00 0.00 H new ATOM 0 HA LYS A 80 1.137 6.816 -12.766 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.074 6.221 -11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.372 7.832 -12.132 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.203 8.367 -9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.108 6.904 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.084 8.090 -10.573 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.149 9.558 -10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.499 7.824 -7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.920 8.672 -8.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.982 10.178 -7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.350 10.712 -8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.386 9.792 -7.513 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.104 7.628 -9.876 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.972 7.181 -8.793 1.00 0.00 C ATOM 1229 C ASP A 81 -2.269 6.596 -9.342 1.00 0.00 C ATOM 1230 O ASP A 81 -2.921 5.783 -8.686 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.282 8.344 -7.848 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.409 7.899 -6.404 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.366 7.771 -5.730 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.551 7.677 -5.949 1.00 0.00 O ATOM 0 H ASP A 81 0.072 8.633 -9.889 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.449 6.401 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.493 9.092 -7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.209 8.824 -8.160 1.00 0.00 H new ATOM 1239 N SER A 82 -2.637 7.014 -10.548 1.00 0.00 N ATOM 1240 CA SER A 82 -3.859 6.535 -11.184 1.00 0.00 C ATOM 1241 C SER A 82 -3.907 5.010 -11.187 1.00 0.00 C ATOM 1242 O SER A 82 -3.209 4.357 -11.961 1.00 0.00 O ATOM 1243 CB SER A 82 -3.954 7.062 -12.617 1.00 0.00 C ATOM 1244 OG SER A 82 -2.936 6.508 -13.433 1.00 0.00 O ATOM 0 H SER A 82 -2.106 7.684 -11.105 1.00 0.00 H new ATOM 0 HA SER A 82 -4.708 6.908 -10.611 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.931 6.818 -13.033 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.871 8.149 -12.614 1.00 0.00 H new ATOM 0 HG SER A 82 -2.102 7.005 -13.298 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.738 4.449 -10.313 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.863 3.005 -10.230 1.00 0.00 C ATOM 1252 C GLY A 83 -6.169 2.572 -9.592 1.00 0.00 C ATOM 1253 O GLY A 83 -7.240 2.741 -10.175 1.00 0.00 O ATOM 0 H GLY A 83 -5.326 4.968 -9.661 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.792 2.579 -11.231 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.030 2.604 -9.653 1.00 0.00 H new ATOM 1257 N THR A 84 -6.081 2.010 -8.391 1.00 0.00 N ATOM 1258 CA THR A 84 -7.263 1.549 -7.674 1.00 0.00 C ATOM 1259 C THR A 84 -6.991 1.439 -6.178 1.00 0.00 C ATOM 1260 O THR A 84 -6.173 0.628 -5.745 1.00 0.00 O ATOM 1261 CB THR A 84 -7.740 0.182 -8.200 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.867 0.222 -9.625 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.075 -0.201 -7.578 1.00 0.00 C ATOM 0 H THR A 84 -5.203 1.863 -7.894 1.00 0.00 H new ATOM 0 HA THR A 84 -8.045 2.289 -7.844 1.00 0.00 H new ATOM 0 HB THR A 84 -6.999 -0.568 -7.923 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.022 1.146 -9.914 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.392 -1.170 -7.964 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.968 -0.260 -6.495 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.822 0.552 -7.829 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.683 2.259 -5.394 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.517 2.251 -3.946 1.00 0.00 C ATOM 1273 C ILE A 85 -7.966 0.922 -3.348 1.00 0.00 C ATOM 1274 O ILE A 85 -9.138 0.555 -3.435 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.309 3.393 -3.283 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.852 4.746 -3.831 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.143 3.345 -1.771 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.425 5.095 -3.468 1.00 0.00 C ATOM 0 H ILE A 85 -8.364 2.937 -5.737 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.454 2.394 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.366 3.265 -3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.951 4.741 -4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.515 5.524 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.709 4.159 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.513 2.391 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.088 3.451 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.170 6.067 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.324 5.132 -2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.752 4.337 -3.869 1.00 0.00 H new ATOM 1290 N TYR A 86 -7.027 0.206 -2.740 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.326 -1.083 -2.127 1.00 0.00 C ATOM 1292 C TYR A 86 -7.380 -0.964 -0.607 1.00 0.00 C ATOM 1293 O TYR A 86 -6.438 -1.340 0.091 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.275 -2.119 -2.532 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.472 -2.668 -3.927 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.556 -3.483 -4.227 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.574 -2.370 -4.945 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.739 -3.988 -5.500 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.750 -2.869 -6.221 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.834 -3.678 -6.493 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.014 -4.177 -7.763 1.00 0.00 O ATOM 0 H TYR A 86 -6.053 0.496 -2.658 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.304 -1.408 -2.482 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.286 -1.666 -2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.297 -2.944 -1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.268 -3.726 -3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.724 -1.738 -4.735 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.586 -4.622 -5.716 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.043 -2.627 -7.001 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.289 -3.863 -8.343 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.491 -0.439 -0.101 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.670 -0.270 1.336 1.00 0.00 C ATOM 1313 C PHE A 87 -8.535 -1.605 2.062 1.00 0.00 C ATOM 1314 O PHE A 87 -8.815 -2.661 1.497 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.039 0.348 1.632 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.312 0.527 3.098 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.714 1.556 3.807 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.166 -0.335 3.767 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -9.964 1.723 5.156 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.420 -0.172 5.116 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.817 0.857 5.811 1.00 0.00 C ATOM 0 H PHE A 87 -9.280 -0.123 -0.665 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.890 0.401 1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.106 1.317 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.815 -0.284 1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.045 2.235 3.300 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.638 -1.143 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.493 2.530 5.697 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.090 -0.849 5.626 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.012 0.985 6.866 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.103 -1.548 3.318 1.00 0.00 N ATOM 1332 CA GLU A 88 -7.929 -2.752 4.121 1.00 0.00 C ATOM 1333 C GLU A 88 -8.453 -2.542 5.539 1.00 0.00 C ATOM 1334 O GLU A 88 -8.141 -1.542 6.185 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.454 -3.154 4.165 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.096 -4.265 3.192 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.623 -4.623 3.232 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.031 -4.578 4.331 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.062 -4.947 2.164 1.00 0.00 O ATOM 0 H GLU A 88 -7.867 -0.681 3.801 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.503 -3.553 3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.841 -2.280 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.203 -3.474 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.688 -5.151 3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.364 -3.958 2.181 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.252 -3.491 6.015 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.819 -3.411 7.356 1.00 0.00 C ATOM 1348 C ALA A 89 -10.398 -4.753 7.789 1.00 0.00 C ATOM 1349 O ALA A 89 -11.484 -5.139 7.359 1.00 0.00 O ATOM 1350 CB ALA A 89 -10.888 -2.329 7.414 1.00 0.00 C ATOM 0 H ALA A 89 -9.521 -4.324 5.492 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.017 -3.151 8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.302 -2.281 8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.446 -1.366 7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.682 -2.564 6.706 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.665 -5.462 8.642 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.122 -6.754 9.118 1.00 0.00 C ATOM 1358 C GLY A 90 -9.902 -7.857 8.101 1.00 0.00 C ATOM 1359 O GLY A 90 -8.763 -8.199 7.782 1.00 0.00 O ATOM 0 H GLY A 90 -8.762 -5.164 9.012 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.598 -7.004 10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.183 -6.694 9.361 1.00 0.00 H new ATOM 1363 N ASP A 91 -10.994 -8.416 7.592 1.00 0.00 N ATOM 1364 CA ASP A 91 -10.916 -9.488 6.606 1.00 0.00 C ATOM 1365 C ASP A 91 -11.592 -9.076 5.302 1.00 0.00 C ATOM 1366 O ASP A 91 -12.043 -9.923 4.531 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.565 -10.760 7.151 1.00 0.00 C ATOM 1368 CG ASP A 91 -10.974 -12.018 6.544 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -9.959 -11.909 5.825 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -11.526 -13.110 6.790 1.00 0.00 O ATOM 0 H ASP A 91 -11.944 -8.145 7.846 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.863 -9.685 6.403 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.444 -10.791 8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.636 -10.732 6.951 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.660 -7.770 5.062 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.283 -7.247 3.852 1.00 0.00 C ATOM 1377 C GLN A 92 -11.279 -6.454 3.022 1.00 0.00 C ATOM 1378 O GLN A 92 -10.092 -6.405 3.346 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.478 -6.363 4.210 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.560 -7.090 4.992 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.209 -8.203 4.194 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -15.897 -7.953 3.204 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -14.993 -9.442 4.621 1.00 0.00 N ATOM 0 H GLN A 92 -11.291 -7.055 5.689 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.631 -8.092 3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.128 -5.513 4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.911 -5.963 3.293 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.128 -7.505 5.902 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.324 -6.375 5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.416 -9.604 5.446 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.404 -10.232 4.123 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.763 -5.834 1.951 1.00 0.00 N ATOM 1393 CA ARG A 93 -10.907 -5.044 1.074 1.00 0.00 C ATOM 1394 C ARG A 93 -11.733 -4.332 0.006 1.00 0.00 C ATOM 1395 O ARG A 93 -12.328 -4.971 -0.861 1.00 0.00 O ATOM 1396 CB ARG A 93 -9.857 -5.937 0.411 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.623 -5.183 -0.057 1.00 0.00 C ATOM 1398 CD ARG A 93 -7.641 -6.104 -0.763 1.00 0.00 C ATOM 1399 NE ARG A 93 -7.068 -7.093 0.146 1.00 0.00 N ATOM 1400 CZ ARG A 93 -6.280 -8.086 -0.250 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -5.974 -8.222 -1.533 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -5.797 -8.947 0.637 1.00 0.00 N ATOM 0 H ARG A 93 -12.743 -5.863 1.670 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.403 -4.292 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.554 -6.711 1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.309 -6.442 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.920 -4.380 -0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.135 -4.716 0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.148 -6.615 -1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.840 -5.510 -1.204 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.285 -7.017 1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.344 -7.563 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.369 -8.985 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.031 -8.847 1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.192 -9.709 0.331 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.763 -3.005 0.076 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.514 -2.207 -0.885 1.00 0.00 C ATOM 1418 C ALA A 94 -11.733 -2.033 -2.183 1.00 0.00 C ATOM 1419 O ALA A 94 -10.579 -2.450 -2.285 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.860 -0.851 -0.289 1.00 0.00 C ATOM 0 H ALA A 94 -11.276 -2.460 0.788 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.438 -2.736 -1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.421 -0.266 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.465 -0.991 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.943 -0.323 -0.028 1.00 0.00 H new ATOM 1426 N SER A 95 -12.370 -1.415 -3.173 1.00 0.00 N ATOM 1427 CA SER A 95 -11.736 -1.190 -4.467 1.00 0.00 C ATOM 1428 C SER A 95 -12.447 -0.080 -5.235 1.00 0.00 C ATOM 1429 O SER A 95 -13.580 -0.249 -5.684 1.00 0.00 O ATOM 1430 CB SER A 95 -11.739 -2.479 -5.291 1.00 0.00 C ATOM 1431 OG SER A 95 -13.061 -2.873 -5.616 1.00 0.00 O ATOM 0 H SER A 95 -13.324 -1.061 -3.104 1.00 0.00 H new ATOM 0 HA SER A 95 -10.705 -0.883 -4.290 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.165 -2.331 -6.206 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.247 -3.274 -4.731 1.00 0.00 H new ATOM 0 HG SER A 95 -13.613 -2.077 -5.763 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.772 1.056 -5.380 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.337 2.194 -6.094 1.00 0.00 C ATOM 1439 C ALA A 96 -11.442 2.612 -7.256 1.00 0.00 C ATOM 1440 O ALA A 96 -10.216 2.578 -7.151 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.550 3.362 -5.143 1.00 0.00 C ATOM 0 H ALA A 96 -10.833 1.212 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.302 1.892 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.972 4.205 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.235 3.065 -4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.595 3.655 -4.707 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.063 3.006 -8.363 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.322 3.433 -9.544 1.00 0.00 C ATOM 1449 C ALA A 97 -10.672 4.795 -9.322 1.00 0.00 C ATOM 1450 O ALA A 97 -11.326 5.832 -9.440 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.240 3.474 -10.756 1.00 0.00 C ATOM 0 H ALA A 97 -13.077 3.038 -8.467 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.529 2.708 -9.727 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.674 3.794 -11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.652 2.481 -10.934 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.053 4.176 -10.573 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.384 4.785 -9.001 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.645 6.020 -8.762 1.00 0.00 C ATOM 1459 C LEU A 98 -8.078 6.576 -10.064 1.00 0.00 C ATOM 1460 O LEU A 98 -6.997 6.180 -10.500 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.513 5.776 -7.762 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.427 6.850 -7.703 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -7.049 8.232 -7.573 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.474 6.582 -6.547 1.00 0.00 C ATOM 0 H LEU A 98 -8.829 3.935 -8.900 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.336 6.753 -8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.949 5.673 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.041 4.823 -8.003 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.859 6.816 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.261 8.984 -7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.690 8.425 -8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.643 8.279 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.707 7.356 -6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.029 6.588 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.002 5.609 -6.683 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.814 7.496 -10.679 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.383 8.107 -11.931 1.00 0.00 C ATOM 1478 C ARG A 99 -7.669 9.430 -11.673 1.00 0.00 C ATOM 1479 O ARG A 99 -8.058 10.197 -10.791 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.584 8.334 -12.851 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.231 7.048 -13.337 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.503 7.326 -14.123 1.00 0.00 C ATOM 1483 NE ARG A 99 -12.371 6.154 -14.193 1.00 0.00 N ATOM 1484 CZ ARG A 99 -12.182 5.148 -15.039 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -11.160 5.171 -15.884 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -13.015 4.116 -15.042 1.00 0.00 N ATOM 0 H ARG A 99 -9.711 7.835 -10.331 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.684 7.426 -12.417 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.329 8.928 -12.322 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.265 8.919 -13.714 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.527 6.500 -13.964 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.462 6.410 -12.484 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.044 8.150 -13.658 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.243 7.645 -15.132 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.167 6.105 -13.557 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.517 5.963 -15.885 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.017 4.397 -16.533 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.802 4.094 -14.394 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.868 3.344 -15.692 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.621 9.692 -12.447 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.852 10.923 -12.303 1.00 0.00 C ATOM 1502 C VAL A 100 -5.306 11.390 -13.648 1.00 0.00 C ATOM 1503 O VAL A 100 -4.422 10.757 -14.225 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.681 10.741 -11.320 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.849 12.012 -11.240 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.196 10.344 -9.945 1.00 0.00 C ATOM 0 H VAL A 100 -6.285 9.068 -13.181 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.533 11.678 -11.909 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.042 9.939 -11.688 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.026 11.865 -10.541 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.449 12.248 -12.226 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.475 12.835 -10.896 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.355 10.220 -9.263 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.858 11.122 -9.566 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.745 9.405 -10.019 1.00 0.00 H new ATOM 1516 N THR A 101 -5.838 12.504 -14.142 1.00 0.00 N ATOM 1517 CA THR A 101 -5.404 13.057 -15.419 1.00 0.00 C ATOM 1518 C THR A 101 -4.346 14.136 -15.220 1.00 0.00 C ATOM 1519 O THR A 101 -4.071 14.547 -14.093 1.00 0.00 O ATOM 1520 CB THR A 101 -6.588 13.653 -16.204 1.00 0.00 C ATOM 1521 OG1 THR A 101 -7.027 14.866 -15.582 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.743 12.666 -16.273 1.00 0.00 C ATOM 0 H THR A 101 -6.570 13.041 -13.677 1.00 0.00 H new ATOM 0 HA THR A 101 -4.976 12.234 -15.991 1.00 0.00 H new ATOM 0 HB THR A 101 -6.252 13.866 -17.219 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.779 15.240 -16.088 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.567 13.109 -16.832 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.414 11.755 -16.773 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.077 12.426 -15.264 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.757 14.591 -16.321 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.728 15.623 -16.266 1.00 0.00 C ATOM 1532 C GLU A 102 -3.248 16.871 -15.559 1.00 0.00 C ATOM 1533 O GLU A 102 -4.456 17.081 -15.452 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.258 15.982 -17.677 1.00 0.00 C ATOM 1535 CG GLU A 102 -1.039 15.196 -18.130 1.00 0.00 C ATOM 1536 CD GLU A 102 -0.958 15.063 -19.639 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -1.873 14.453 -20.230 1.00 0.00 O ATOM 1538 OE2 GLU A 102 0.020 15.569 -20.227 1.00 0.00 O ATOM 0 H GLU A 102 -3.974 14.262 -17.262 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.884 15.229 -15.699 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.074 15.807 -18.378 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.028 17.047 -17.715 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.138 15.687 -17.763 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.065 14.203 -17.682 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.326 17.698 -15.076 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.688 18.926 -14.379 1.00 0.00 C ATOM 1547 C LYS A 103 -2.092 20.144 -15.078 1.00 0.00 C ATOM 1548 O LYS A 103 -1.104 20.050 -15.807 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.209 18.873 -12.927 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.781 19.355 -12.739 1.00 0.00 C ATOM 1551 CD LYS A 103 0.208 18.467 -13.476 1.00 0.00 C ATOM 1552 CE LYS A 103 1.636 18.725 -13.019 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.626 18.403 -14.084 1.00 0.00 N ATOM 0 H LYS A 103 -1.322 17.539 -15.155 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.774 19.016 -14.394 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.873 19.481 -12.312 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.288 17.848 -12.564 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.691 20.379 -13.100 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.537 19.369 -11.677 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.046 17.420 -13.308 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.130 18.646 -14.548 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.741 19.771 -12.729 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.848 18.126 -12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.586 18.428 -13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.433 17.453 -14.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.551 19.102 -14.850 1.00 0.00 H new ATOM 1567 N PRO A 104 -2.704 21.316 -14.851 1.00 0.00 N ATOM 1568 CA PRO A 104 -2.249 22.575 -15.448 1.00 0.00 C ATOM 1569 C PRO A 104 -0.919 23.045 -14.868 1.00 0.00 C ATOM 1570 O PRO A 104 -0.126 23.691 -15.552 1.00 0.00 O ATOM 1571 CB PRO A 104 -3.366 23.560 -15.092 1.00 0.00 C ATOM 1572 CG PRO A 104 -3.990 22.997 -13.863 1.00 0.00 C ATOM 1573 CD PRO A 104 -3.886 21.502 -13.993 1.00 0.00 C ATOM 0 HA PRO A 104 -2.073 22.478 -16.519 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.970 24.560 -14.913 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -4.092 23.645 -15.901 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -3.475 23.348 -12.968 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -5.031 23.310 -13.775 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -3.758 21.022 -13.023 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.781 21.075 -14.444 1.00 0.00 H new ATOM 1581 N SER A 105 -0.682 22.716 -13.602 1.00 0.00 N ATOM 1582 CA SER A 105 0.551 23.107 -12.929 1.00 0.00 C ATOM 1583 C SER A 105 1.706 22.199 -13.339 1.00 0.00 C ATOM 1584 O SER A 105 1.599 21.434 -14.297 1.00 0.00 O ATOM 1585 CB SER A 105 0.365 23.061 -11.411 1.00 0.00 C ATOM 1586 OG SER A 105 1.390 23.781 -10.749 1.00 0.00 O ATOM 0 H SER A 105 -1.327 22.180 -13.022 1.00 0.00 H new ATOM 0 HA SER A 105 0.791 24.127 -13.228 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.606 23.480 -11.148 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.367 22.025 -11.073 1.00 0.00 H new ATOM 0 HG SER A 105 1.247 23.738 -9.780 1.00 0.00 H new ATOM 1592 N VAL A 106 2.811 22.291 -12.607 1.00 0.00 N ATOM 1593 CA VAL A 106 3.987 21.477 -12.892 1.00 0.00 C ATOM 1594 C VAL A 106 4.867 21.329 -11.656 1.00 0.00 C ATOM 1595 O VAL A 106 4.623 21.962 -10.628 1.00 0.00 O ATOM 1596 CB VAL A 106 4.824 22.083 -14.035 1.00 0.00 C ATOM 1597 CG1 VAL A 106 4.272 21.656 -15.386 1.00 0.00 C ATOM 1598 CG2 VAL A 106 4.863 23.600 -13.921 1.00 0.00 C ATOM 0 H VAL A 106 2.917 22.921 -11.812 1.00 0.00 H new ATOM 0 HA VAL A 106 3.626 20.495 -13.196 1.00 0.00 H new ATOM 0 HB VAL A 106 5.844 21.709 -13.952 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.876 22.094 -16.181 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.302 20.569 -15.464 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.242 21.999 -15.483 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.458 24.011 -14.736 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.849 23.995 -13.977 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.310 23.882 -12.968 1.00 0.00 H new ATOM 1608 N PHE A 107 5.891 20.489 -11.762 1.00 0.00 N ATOM 1609 CA PHE A 107 6.808 20.257 -10.652 1.00 0.00 C ATOM 1610 C PHE A 107 6.054 19.779 -9.415 1.00 0.00 C ATOM 1611 O PHE A 107 6.046 20.449 -8.382 1.00 0.00 O ATOM 1612 CB PHE A 107 7.584 21.535 -10.328 1.00 0.00 C ATOM 1613 CG PHE A 107 8.289 22.126 -11.516 1.00 0.00 C ATOM 1614 CD1 PHE A 107 9.344 21.457 -12.115 1.00 0.00 C ATOM 1615 CD2 PHE A 107 7.897 23.351 -12.032 1.00 0.00 C ATOM 1616 CE1 PHE A 107 9.994 21.997 -13.209 1.00 0.00 C ATOM 1617 CE2 PHE A 107 8.544 23.896 -13.125 1.00 0.00 C ATOM 1618 CZ PHE A 107 9.594 23.219 -13.713 1.00 0.00 C ATOM 0 H PHE A 107 6.107 19.957 -12.605 1.00 0.00 H new ATOM 0 HA PHE A 107 7.511 19.479 -10.951 1.00 0.00 H new ATOM 0 HB2 PHE A 107 6.896 22.275 -9.919 1.00 0.00 H new ATOM 0 HB3 PHE A 107 8.317 21.318 -9.551 1.00 0.00 H new ATOM 0 HD1 PHE A 107 9.662 20.502 -11.723 1.00 0.00 H new ATOM 0 HD2 PHE A 107 7.077 23.885 -11.575 1.00 0.00 H new ATOM 0 HE1 PHE A 107 10.813 21.464 -13.669 1.00 0.00 H new ATOM 0 HE2 PHE A 107 8.228 24.851 -13.519 1.00 0.00 H new ATOM 0 HZ PHE A 107 10.102 23.645 -14.566 1.00 0.00 H new ATOM 1628 N SER A 108 5.420 18.616 -9.528 1.00 0.00 N ATOM 1629 CA SER A 108 4.659 18.049 -8.421 1.00 0.00 C ATOM 1630 C SER A 108 5.207 16.681 -8.029 1.00 0.00 C ATOM 1631 O SER A 108 6.216 16.226 -8.569 1.00 0.00 O ATOM 1632 CB SER A 108 3.181 17.930 -8.799 1.00 0.00 C ATOM 1633 OG SER A 108 3.028 17.358 -10.086 1.00 0.00 O ATOM 0 H SER A 108 5.418 18.048 -10.375 1.00 0.00 H new ATOM 0 HA SER A 108 4.756 18.718 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.662 17.318 -8.062 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.717 18.916 -8.778 1.00 0.00 H new ATOM 0 HG SER A 108 2.082 17.373 -10.340 1.00 0.00 H new ATOM 1639 N ARG A 109 4.535 16.029 -7.086 1.00 0.00 N ATOM 1640 CA ARG A 109 4.955 14.713 -6.619 1.00 0.00 C ATOM 1641 C ARG A 109 5.148 13.757 -7.793 1.00 0.00 C ATOM 1642 O ARG A 109 4.204 13.456 -8.523 1.00 0.00 O ATOM 1643 CB ARG A 109 3.924 14.141 -5.645 1.00 0.00 C ATOM 1644 CG ARG A 109 4.419 12.925 -4.878 1.00 0.00 C ATOM 1645 CD ARG A 109 3.264 12.121 -4.303 1.00 0.00 C ATOM 1646 NE ARG A 109 3.719 10.887 -3.667 1.00 0.00 N ATOM 1647 CZ ARG A 109 2.954 10.142 -2.877 1.00 0.00 C ATOM 1648 NH1 ARG A 109 1.703 10.504 -2.628 1.00 0.00 N ATOM 1649 NH2 ARG A 109 3.440 9.033 -2.335 1.00 0.00 N ATOM 0 H ARG A 109 3.697 16.391 -6.630 1.00 0.00 H new ATOM 0 HA ARG A 109 5.908 14.825 -6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 109 3.639 14.917 -4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 109 3.025 13.870 -6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 109 5.010 12.292 -5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 109 5.078 13.246 -4.071 1.00 0.00 H new ATOM 0 HD2 ARG A 109 2.727 12.728 -3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 109 2.559 11.880 -5.098 1.00 0.00 H new ATOM 0 HE ARG A 109 4.677 10.581 -3.839 1.00 0.00 H new ATOM 0 HH11 ARG A 109 1.326 11.356 -3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 109 1.117 9.930 -2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.402 8.752 -2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.852 8.462 -1.728 1.00 0.00 H new ATOM 1663 N SER A 110 6.377 13.282 -7.967 1.00 0.00 N ATOM 1664 CA SER A 110 6.695 12.363 -9.054 1.00 0.00 C ATOM 1665 C SER A 110 7.663 11.282 -8.585 1.00 0.00 C ATOM 1666 O SER A 110 8.348 11.441 -7.575 1.00 0.00 O ATOM 1667 CB SER A 110 7.298 13.126 -10.235 1.00 0.00 C ATOM 1668 OG SER A 110 8.611 13.569 -9.939 1.00 0.00 O ATOM 0 H SER A 110 7.169 13.518 -7.369 1.00 0.00 H new ATOM 0 HA SER A 110 5.770 11.884 -9.374 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.317 12.484 -11.115 1.00 0.00 H new ATOM 0 HB3 SER A 110 6.668 13.982 -10.479 1.00 0.00 H new ATOM 0 HG SER A 110 8.975 14.052 -10.710 1.00 0.00 H new ATOM 1674 N GLY A 111 7.715 10.180 -9.327 1.00 0.00 N ATOM 1675 CA GLY A 111 8.602 9.087 -8.973 1.00 0.00 C ATOM 1676 C GLY A 111 9.092 8.321 -10.185 1.00 0.00 C ATOM 1677 O GLY A 111 8.570 8.468 -11.291 1.00 0.00 O ATOM 0 H GLY A 111 7.158 10.025 -10.167 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.458 9.481 -8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.082 8.404 -8.302 1.00 0.00 H new ATOM 1681 N PRO A 112 10.120 7.483 -9.985 1.00 0.00 N ATOM 1682 CA PRO A 112 10.704 6.676 -11.061 1.00 0.00 C ATOM 1683 C PRO A 112 9.766 5.569 -11.530 1.00 0.00 C ATOM 1684 O PRO A 112 9.655 5.302 -12.726 1.00 0.00 O ATOM 1685 CB PRO A 112 11.956 6.078 -10.415 1.00 0.00 C ATOM 1686 CG PRO A 112 11.657 6.058 -8.955 1.00 0.00 C ATOM 1687 CD PRO A 112 10.791 7.259 -8.694 1.00 0.00 C ATOM 0 HA PRO A 112 10.909 7.270 -11.951 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.155 5.075 -10.792 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.839 6.680 -10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.144 5.138 -8.674 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.574 6.103 -8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.073 7.071 -7.895 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.383 8.124 -8.393 1.00 0.00 H new ATOM 1695 N SER A 113 9.092 4.929 -10.580 1.00 0.00 N ATOM 1696 CA SER A 113 8.165 3.849 -10.896 1.00 0.00 C ATOM 1697 C SER A 113 7.146 4.295 -11.940 1.00 0.00 C ATOM 1698 O SER A 113 6.871 5.486 -12.086 1.00 0.00 O ATOM 1699 CB SER A 113 7.444 3.380 -9.631 1.00 0.00 C ATOM 1700 OG SER A 113 8.366 3.104 -8.591 1.00 0.00 O ATOM 0 H SER A 113 9.171 5.140 -9.585 1.00 0.00 H new ATOM 0 HA SER A 113 8.740 3.019 -11.306 1.00 0.00 H new ATOM 0 HB2 SER A 113 6.741 4.146 -9.304 1.00 0.00 H new ATOM 0 HB3 SER A 113 6.861 2.486 -9.851 1.00 0.00 H new ATOM 0 HG SER A 113 7.880 2.808 -7.793 1.00 0.00 H new ATOM 1706 N SER A 114 6.589 3.330 -12.665 1.00 0.00 N ATOM 1707 CA SER A 114 5.603 3.622 -13.698 1.00 0.00 C ATOM 1708 C SER A 114 4.409 2.679 -13.593 1.00 0.00 C ATOM 1709 O SER A 114 4.228 1.792 -14.427 1.00 0.00 O ATOM 1710 CB SER A 114 6.238 3.507 -15.086 1.00 0.00 C ATOM 1711 OG SER A 114 5.312 3.854 -16.101 1.00 0.00 O ATOM 0 H SER A 114 6.804 2.339 -12.556 1.00 0.00 H new ATOM 0 HA SER A 114 5.251 4.643 -13.550 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.109 4.159 -15.146 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.591 2.488 -15.244 1.00 0.00 H new ATOM 0 HG SER A 114 5.742 3.774 -16.978 1.00 0.00 H new ATOM 1717 N GLY A 115 3.595 2.876 -12.560 1.00 0.00 N ATOM 1718 CA GLY A 115 2.429 2.036 -12.363 1.00 0.00 C ATOM 1719 C GLY A 115 2.761 0.742 -11.646 1.00 0.00 C ATOM 1720 O GLY A 115 2.714 -0.334 -12.242 1.00 0.00 O ATOM 0 H GLY A 115 3.723 3.603 -11.856 1.00 0.00 H new ATOM 0 HA2 GLY A 115 1.683 2.585 -11.789 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.982 1.807 -13.331 1.00 0.00 H new TER 1724 GLY A 115