USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 GLN : amide:sc= -0.944 K(o=-0.77,f=1.2) USER MOD Set 1.2: A 57 TYR OH : rot -63:sc= 0.176 USER MOD Set 2.1: A 34 HIS : no HD1:sc= 0 X(o=0.082,f=0.082) USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0.0822 USER MOD Single : A 2 HIS : no HE2:sc= -0.859 K(o=-0.86,f=-1.5) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.042) USER MOD Single : A 40 CYS SG : rot 180:sc= -0.479 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.928 K(o=0.93,f=-0.049) USER MOD Single : A 61 LYS NZ :NH3+ -152:sc= 0.0329 (180deg=-0.00492) USER MOD Single : A 63 SER OG : rot 180:sc= -0.174 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 143:sc= 0 (180deg=-0.0299) USER MOD Single : A 85 GLN : amide:sc=-0.00873 X(o=-0.0087,f=-0.41) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 69:sc= 1.2 USER MOD Single : A 92 THR OG1 : rot 134:sc= 1.21 USER MOD Single : A 99 HIS : no HD1:sc= -0.749 X(o=-0.75,f=-1.2) USER MOD Single : A 103 THR OG1 : rot 43:sc= 0.645 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc=-0.00254 K(o=-0.0025,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 8 N HIS A 2 1.533 -20.475 1.931 1.00 0.00 N ATOM 9 CA HIS A 2 1.734 -19.030 1.965 1.00 0.00 C ATOM 10 C HIS A 2 1.945 -18.616 3.424 1.00 0.00 C ATOM 11 O HIS A 2 1.671 -19.397 4.339 1.00 0.00 O ATOM 12 CB HIS A 2 0.505 -18.339 1.362 1.00 0.00 C ATOM 13 CG HIS A 2 0.350 -18.550 -0.113 1.00 0.00 C ATOM 14 ND1 HIS A 2 0.250 -19.758 -0.765 1.00 0.00 N ATOM 15 CD2 HIS A 2 0.245 -17.558 -1.040 1.00 0.00 C ATOM 16 CE1 HIS A 2 0.105 -19.497 -2.071 1.00 0.00 C ATOM 17 NE2 HIS A 2 0.111 -18.167 -2.287 1.00 0.00 N ATOM 0 HA HIS A 2 2.606 -18.737 1.381 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.389 -18.705 1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.568 -17.269 1.561 1.00 0.00 H new ATOM 0 HD1 HIS A 2 0.281 -20.682 -0.333 1.00 0.00 H new ATOM 0 HD2 HIS A 2 0.262 -16.496 -0.845 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -0.002 -20.246 -2.841 1.00 0.00 H new ATOM 25 N VAL A 3 2.373 -17.382 3.670 1.00 0.00 N ATOM 26 CA VAL A 3 2.283 -16.780 4.998 1.00 0.00 C ATOM 27 C VAL A 3 1.064 -15.885 4.999 1.00 0.00 C ATOM 28 O VAL A 3 0.711 -15.304 3.977 1.00 0.00 O ATOM 29 CB VAL A 3 3.592 -16.055 5.332 1.00 0.00 C ATOM 30 CG1 VAL A 3 3.507 -14.930 6.364 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.613 -17.102 5.787 1.00 0.00 C ATOM 0 H VAL A 3 2.788 -16.775 2.963 1.00 0.00 H new ATOM 0 HA VAL A 3 2.158 -17.524 5.785 1.00 0.00 H new ATOM 0 HB VAL A 3 3.887 -15.544 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.496 -14.497 6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.824 -14.159 6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.140 -15.330 7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.555 -16.610 6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.235 -17.620 6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.777 -17.823 4.986 1.00 0.00 H new ATOM 41 N GLN A 4 0.432 -15.782 6.156 1.00 0.00 N ATOM 42 CA GLN A 4 -0.661 -14.903 6.447 1.00 0.00 C ATOM 43 C GLN A 4 -0.104 -13.684 7.152 1.00 0.00 C ATOM 44 O GLN A 4 0.815 -13.799 7.969 1.00 0.00 O ATOM 45 CB GLN A 4 -1.680 -15.654 7.314 1.00 0.00 C ATOM 46 CG GLN A 4 -3.052 -15.100 6.961 1.00 0.00 C ATOM 47 CD GLN A 4 -4.204 -15.687 7.769 1.00 0.00 C ATOM 48 OE1 GLN A 4 -4.002 -16.408 8.741 1.00 0.00 O ATOM 49 NE2 GLN A 4 -5.433 -15.371 7.402 1.00 0.00 N ATOM 0 H GLN A 4 0.694 -16.351 6.961 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.172 -14.577 5.541 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.635 -16.726 7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.466 -15.511 8.373 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.040 -14.019 7.103 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.240 -15.280 5.903 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.585 -14.770 6.592 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.230 -15.727 7.929 1.00 0.00 H new ATOM 58 N LEU A 5 -0.679 -12.531 6.836 1.00 0.00 N ATOM 59 CA LEU A 5 -0.366 -11.263 7.448 1.00 0.00 C ATOM 60 C LEU A 5 -1.661 -10.578 7.850 1.00 0.00 C ATOM 61 O LEU A 5 -2.722 -10.882 7.311 1.00 0.00 O ATOM 62 CB LEU A 5 0.484 -10.385 6.510 1.00 0.00 C ATOM 63 CG LEU A 5 1.865 -10.967 6.144 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.502 -10.124 5.034 1.00 0.00 C ATOM 65 CD2 LEU A 5 2.815 -10.998 7.345 1.00 0.00 C ATOM 0 H LEU A 5 -1.401 -12.459 6.119 1.00 0.00 H new ATOM 0 HA LEU A 5 0.236 -11.428 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.076 -10.214 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.630 -9.413 6.980 1.00 0.00 H new ATOM 0 HG LEU A 5 1.706 -11.992 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.477 -10.537 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.860 -10.137 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.623 -9.098 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.774 -11.415 7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.963 -9.985 7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.385 -11.616 8.133 1.00 0.00 H new ATOM 77 N SER A 6 -1.571 -9.647 8.788 1.00 0.00 N ATOM 78 CA SER A 6 -2.691 -9.056 9.488 1.00 0.00 C ATOM 79 C SER A 6 -2.358 -7.578 9.661 1.00 0.00 C ATOM 80 O SER A 6 -1.378 -7.248 10.331 1.00 0.00 O ATOM 81 CB SER A 6 -2.865 -9.794 10.820 1.00 0.00 C ATOM 82 OG SER A 6 -1.665 -10.338 11.350 1.00 0.00 O ATOM 0 H SER A 6 -0.674 -9.269 9.092 1.00 0.00 H new ATOM 0 HA SER A 6 -3.636 -9.141 8.952 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.291 -9.106 11.550 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.586 -10.600 10.683 1.00 0.00 H new ATOM 0 HG SER A 6 -1.857 -10.790 12.198 1.00 0.00 H new ATOM 88 N LEU A 7 -3.086 -6.688 8.985 1.00 0.00 N ATOM 89 CA LEU A 7 -2.682 -5.288 8.823 1.00 0.00 C ATOM 90 C LEU A 7 -3.825 -4.354 9.237 1.00 0.00 C ATOM 91 O LEU A 7 -4.989 -4.710 9.036 1.00 0.00 O ATOM 92 CB LEU A 7 -2.242 -5.054 7.366 1.00 0.00 C ATOM 93 CG LEU A 7 -0.853 -5.668 7.080 1.00 0.00 C ATOM 94 CD1 LEU A 7 -0.683 -6.058 5.609 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.258 -4.690 7.473 1.00 0.00 C ATOM 0 H LEU A 7 -3.972 -6.916 8.534 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.836 -5.065 9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.978 -5.489 6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.215 -3.984 7.162 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.781 -6.574 7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.309 -6.485 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.440 -6.794 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.797 -5.173 4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.229 -5.139 7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.153 -3.770 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.184 -4.464 8.537 1.00 0.00 H new ATOM 107 N PRO A 8 -3.521 -3.178 9.813 1.00 0.00 N ATOM 108 CA PRO A 8 -4.522 -2.252 10.325 1.00 0.00 C ATOM 109 C PRO A 8 -5.284 -1.597 9.172 1.00 0.00 C ATOM 110 O PRO A 8 -4.662 -1.100 8.235 1.00 0.00 O ATOM 111 CB PRO A 8 -3.726 -1.236 11.151 1.00 0.00 C ATOM 112 CG PRO A 8 -2.330 -1.233 10.544 1.00 0.00 C ATOM 113 CD PRO A 8 -2.178 -2.666 10.054 1.00 0.00 C ATOM 0 HA PRO A 8 -5.283 -2.741 10.933 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.179 -0.246 11.100 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.697 -1.520 12.203 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.244 -0.515 9.729 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.569 -0.973 11.280 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.583 -2.701 9.142 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.661 -3.274 10.796 1.00 0.00 H new ATOM 121 N VAL A 9 -6.617 -1.595 9.229 1.00 0.00 N ATOM 122 CA VAL A 9 -7.463 -0.817 8.330 1.00 0.00 C ATOM 123 C VAL A 9 -7.461 0.607 8.872 1.00 0.00 C ATOM 124 O VAL A 9 -7.815 0.806 10.037 1.00 0.00 O ATOM 125 CB VAL A 9 -8.901 -1.374 8.257 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.724 -0.648 7.181 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.912 -2.863 7.903 1.00 0.00 C ATOM 0 H VAL A 9 -7.143 -2.142 9.911 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.077 -0.862 7.312 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.335 -1.218 9.245 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.732 -1.062 7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.775 0.415 7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.250 -0.781 6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.941 -3.219 7.861 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.437 -3.010 6.933 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.365 -3.422 8.663 1.00 0.00 H new ATOM 137 N LEU A 10 -7.063 1.569 8.045 1.00 0.00 N ATOM 138 CA LEU A 10 -6.916 2.980 8.371 1.00 0.00 C ATOM 139 C LEU A 10 -7.791 3.764 7.390 1.00 0.00 C ATOM 140 O LEU A 10 -8.000 3.332 6.255 1.00 0.00 O ATOM 141 CB LEU A 10 -5.431 3.381 8.252 1.00 0.00 C ATOM 142 CG LEU A 10 -4.501 2.634 9.235 1.00 0.00 C ATOM 143 CD1 LEU A 10 -3.048 2.684 8.770 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.567 3.219 10.649 1.00 0.00 C ATOM 0 H LEU A 10 -6.821 1.371 7.074 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.230 3.194 9.393 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.094 3.192 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.339 4.453 8.424 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.854 1.603 9.255 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.419 2.150 9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.964 2.216 7.789 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.722 3.722 8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.897 2.662 11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.264 4.266 10.624 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.587 3.146 11.026 1.00 0.00 H new ATOM 156 N GLN A 11 -8.328 4.899 7.833 1.00 0.00 N ATOM 157 CA GLN A 11 -9.200 5.748 7.029 1.00 0.00 C ATOM 158 C GLN A 11 -8.371 6.685 6.162 1.00 0.00 C ATOM 159 O GLN A 11 -7.479 7.352 6.680 1.00 0.00 O ATOM 160 CB GLN A 11 -10.076 6.567 7.987 1.00 0.00 C ATOM 161 CG GLN A 11 -11.455 5.935 8.154 1.00 0.00 C ATOM 162 CD GLN A 11 -12.500 6.558 7.237 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.206 6.977 6.119 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.737 6.636 7.686 1.00 0.00 N ATOM 0 H GLN A 11 -8.166 5.258 8.774 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.818 5.135 6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.587 6.640 8.958 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.183 7.583 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.388 4.866 7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.776 6.042 9.190 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.965 6.284 8.616 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.466 7.048 7.104 1.00 0.00 H new ATOM 173 N VAL A 12 -8.708 6.847 4.879 1.00 0.00 N ATOM 174 CA VAL A 12 -7.992 7.729 3.956 1.00 0.00 C ATOM 175 C VAL A 12 -8.025 9.180 4.432 1.00 0.00 C ATOM 176 O VAL A 12 -7.191 9.984 4.022 1.00 0.00 O ATOM 177 CB VAL A 12 -8.571 7.590 2.533 1.00 0.00 C ATOM 178 CG1 VAL A 12 -9.984 8.180 2.410 1.00 0.00 C ATOM 179 CG2 VAL A 12 -7.660 8.241 1.479 1.00 0.00 C ATOM 0 H VAL A 12 -9.496 6.363 4.448 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.945 7.425 3.933 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.628 6.518 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.343 8.055 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.655 7.663 3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.958 9.241 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.104 8.121 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.548 9.302 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.681 7.762 1.498 1.00 0.00 H new ATOM 189 N ARG A 13 -8.984 9.538 5.291 1.00 0.00 N ATOM 190 CA ARG A 13 -9.036 10.886 5.821 1.00 0.00 C ATOM 191 C ARG A 13 -7.953 11.119 6.874 1.00 0.00 C ATOM 192 O ARG A 13 -7.585 12.273 7.103 1.00 0.00 O ATOM 193 CB ARG A 13 -10.431 11.200 6.373 1.00 0.00 C ATOM 194 CG ARG A 13 -10.874 10.234 7.472 1.00 0.00 C ATOM 195 CD ARG A 13 -11.637 10.924 8.596 1.00 0.00 C ATOM 196 NE ARG A 13 -11.388 10.167 9.822 1.00 0.00 N ATOM 197 CZ ARG A 13 -12.111 10.006 10.923 1.00 0.00 C ATOM 198 NH1 ARG A 13 -13.149 10.792 11.196 1.00 0.00 N ATOM 199 NH2 ARG A 13 -11.728 9.028 11.726 1.00 0.00 N ATOM 0 H ARG A 13 -9.721 8.917 5.625 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.837 11.574 5.000 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.439 12.216 6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.153 11.168 5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.503 9.459 7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.997 9.737 7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.305 11.956 8.708 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.704 10.955 8.374 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.496 9.673 9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.406 11.540 10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.688 10.647 12.050 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.922 8.453 11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.239 8.848 12.590 1.00 0.00 H new ATOM 213 N ASP A 14 -7.455 10.051 7.500 1.00 0.00 N ATOM 214 CA ASP A 14 -6.485 10.071 8.588 1.00 0.00 C ATOM 215 C ASP A 14 -5.089 9.702 8.102 1.00 0.00 C ATOM 216 O ASP A 14 -4.097 10.034 8.752 1.00 0.00 O ATOM 217 CB ASP A 14 -6.882 9.055 9.667 1.00 0.00 C ATOM 218 CG ASP A 14 -8.037 9.547 10.541 1.00 0.00 C ATOM 219 OD1 ASP A 14 -7.908 10.643 11.140 1.00 0.00 O ATOM 220 OD2 ASP A 14 -9.102 8.884 10.566 1.00 0.00 O ATOM 0 H ASP A 14 -7.734 9.103 7.247 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.476 11.085 8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.166 8.117 9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.018 8.844 10.298 1.00 0.00 H new ATOM 225 N VAL A 15 -4.990 8.986 6.985 1.00 0.00 N ATOM 226 CA VAL A 15 -3.757 8.612 6.318 1.00 0.00 C ATOM 227 C VAL A 15 -3.084 9.822 5.687 1.00 0.00 C ATOM 228 O VAL A 15 -3.078 9.943 4.477 1.00 0.00 O ATOM 229 CB VAL A 15 -3.932 7.429 5.344 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.549 6.852 5.106 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.793 6.276 5.896 1.00 0.00 C ATOM 0 H VAL A 15 -5.815 8.635 6.499 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.077 8.239 7.084 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.430 7.815 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.620 6.008 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.905 7.618 4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.127 6.515 6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.865 5.486 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.332 5.879 6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.791 6.647 6.130 1.00 0.00 H new ATOM 241 N LEU A 16 -2.651 10.796 6.474 1.00 0.00 N ATOM 242 CA LEU A 16 -1.962 12.000 6.037 1.00 0.00 C ATOM 243 C LEU A 16 -1.038 11.767 4.838 1.00 0.00 C ATOM 244 O LEU A 16 -1.169 12.498 3.857 1.00 0.00 O ATOM 245 CB LEU A 16 -1.204 12.573 7.235 1.00 0.00 C ATOM 246 CG LEU A 16 -2.107 13.404 8.164 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.473 13.504 9.549 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.340 14.807 7.599 1.00 0.00 C ATOM 0 H LEU A 16 -2.777 10.766 7.486 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.702 12.716 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.758 11.756 7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.385 13.197 6.877 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.072 12.902 8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.117 14.093 10.202 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.350 12.504 9.966 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.499 13.986 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.981 15.370 8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.384 15.320 7.493 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.821 14.731 6.624 1.00 0.00 H new ATOM 260 N VAL A 17 -0.180 10.737 4.858 1.00 0.00 N ATOM 261 CA VAL A 17 0.712 10.430 3.751 1.00 0.00 C ATOM 262 C VAL A 17 0.395 9.036 3.220 1.00 0.00 C ATOM 263 O VAL A 17 0.253 8.079 3.985 1.00 0.00 O ATOM 264 CB VAL A 17 2.195 10.619 4.130 1.00 0.00 C ATOM 265 CG1 VAL A 17 2.427 11.862 4.978 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.751 9.456 4.943 1.00 0.00 C ATOM 0 H VAL A 17 -0.091 10.097 5.648 1.00 0.00 H new ATOM 0 HA VAL A 17 0.540 11.142 2.943 1.00 0.00 H new ATOM 0 HB VAL A 17 2.701 10.698 3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.487 11.947 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.108 12.745 4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.853 11.785 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.798 9.645 5.180 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.182 9.354 5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.671 8.536 4.364 1.00 0.00 H new ATOM 276 N ARG A 18 0.199 8.946 1.909 1.00 0.00 N ATOM 277 CA ARG A 18 -0.343 7.812 1.173 1.00 0.00 C ATOM 278 C ARG A 18 0.546 7.448 -0.011 1.00 0.00 C ATOM 279 O ARG A 18 0.045 6.948 -1.021 1.00 0.00 O ATOM 280 CB ARG A 18 -1.776 8.092 0.712 1.00 0.00 C ATOM 281 CG ARG A 18 -2.571 8.999 1.647 1.00 0.00 C ATOM 282 CD ARG A 18 -2.531 10.468 1.210 1.00 0.00 C ATOM 283 NE ARG A 18 -3.308 11.378 2.069 1.00 0.00 N ATOM 284 CZ ARG A 18 -4.625 11.298 2.280 1.00 0.00 C ATOM 285 NH1 ARG A 18 -5.405 10.714 1.383 1.00 0.00 N ATOM 286 NH2 ARG A 18 -5.186 11.782 3.377 1.00 0.00 N ATOM 0 H ARG A 18 0.432 9.721 1.289 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.366 6.958 1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.744 8.548 -0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.304 7.144 0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.607 8.661 1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.173 8.913 2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.493 10.801 1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.907 10.542 0.189 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.801 12.128 2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.000 10.325 0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.410 10.653 1.544 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.610 12.231 4.089 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.194 11.706 3.510 1.00 0.00 H new ATOM 300 N GLY A 19 1.823 7.794 0.047 1.00 0.00 N ATOM 301 CA GLY A 19 2.725 7.672 -1.085 1.00 0.00 C ATOM 302 C GLY A 19 4.088 7.234 -0.595 1.00 0.00 C ATOM 303 O GLY A 19 4.869 8.076 -0.156 1.00 0.00 O ATOM 0 H GLY A 19 2.264 8.169 0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.333 6.949 -1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.803 8.626 -1.607 1.00 0.00 H new ATOM 307 N PHE A 20 4.360 5.929 -0.607 1.00 0.00 N ATOM 308 CA PHE A 20 5.663 5.392 -0.219 1.00 0.00 C ATOM 309 C PHE A 20 6.785 5.928 -1.119 1.00 0.00 C ATOM 310 O PHE A 20 7.949 5.896 -0.722 1.00 0.00 O ATOM 311 CB PHE A 20 5.657 3.866 -0.293 1.00 0.00 C ATOM 312 CG PHE A 20 4.770 3.100 0.670 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.800 3.350 2.055 1.00 0.00 C ATOM 314 CD2 PHE A 20 4.035 2.003 0.190 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.131 2.488 2.940 1.00 0.00 C ATOM 316 CE2 PHE A 20 3.322 1.175 1.070 1.00 0.00 C ATOM 317 CZ PHE A 20 3.380 1.410 2.453 1.00 0.00 C ATOM 0 H PHE A 20 3.685 5.217 -0.885 1.00 0.00 H new ATOM 0 HA PHE A 20 5.850 5.713 0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.369 3.584 -1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.681 3.523 -0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.338 4.205 2.438 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.019 1.795 -0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.196 2.658 4.005 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.730 0.358 0.684 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.849 0.764 3.137 1.00 0.00 H new ATOM 327 N GLY A 21 6.439 6.405 -2.313 1.00 0.00 N ATOM 328 CA GLY A 21 7.280 7.112 -3.255 1.00 0.00 C ATOM 329 C GLY A 21 6.370 7.821 -4.245 1.00 0.00 C ATOM 330 O GLY A 21 5.144 7.742 -4.131 1.00 0.00 O ATOM 0 H GLY A 21 5.489 6.295 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.915 7.831 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.942 6.418 -3.773 1.00 0.00 H new ATOM 334 N ASP A 22 6.971 8.484 -5.233 1.00 0.00 N ATOM 335 CA ASP A 22 6.239 9.241 -6.251 1.00 0.00 C ATOM 336 C ASP A 22 6.142 8.489 -7.593 1.00 0.00 C ATOM 337 O ASP A 22 5.372 8.883 -8.471 1.00 0.00 O ATOM 338 CB ASP A 22 6.883 10.632 -6.385 1.00 0.00 C ATOM 339 CG ASP A 22 6.259 11.503 -7.481 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.166 12.090 -7.283 1.00 0.00 O ATOM 341 OD2 ASP A 22 6.919 11.657 -8.534 1.00 0.00 O ATOM 0 H ASP A 22 7.984 8.512 -5.351 1.00 0.00 H new ATOM 0 HA ASP A 22 5.204 9.363 -5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.802 11.153 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.946 10.511 -6.592 1.00 0.00 H new ATOM 346 N SER A 23 6.847 7.359 -7.749 1.00 0.00 N ATOM 347 CA SER A 23 6.708 6.440 -8.884 1.00 0.00 C ATOM 348 C SER A 23 6.225 5.079 -8.392 1.00 0.00 C ATOM 349 O SER A 23 6.421 4.733 -7.227 1.00 0.00 O ATOM 350 CB SER A 23 8.043 6.277 -9.617 1.00 0.00 C ATOM 351 OG SER A 23 8.296 7.366 -10.478 1.00 0.00 O ATOM 0 H SER A 23 7.546 7.053 -7.072 1.00 0.00 H new ATOM 0 HA SER A 23 5.978 6.858 -9.578 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.851 6.191 -8.890 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.033 5.351 -10.193 1.00 0.00 H new ATOM 0 HG SER A 23 9.156 7.233 -10.930 1.00 0.00 H new ATOM 357 N VAL A 24 5.625 4.286 -9.282 1.00 0.00 N ATOM 358 CA VAL A 24 5.059 3.005 -8.918 1.00 0.00 C ATOM 359 C VAL A 24 6.136 2.059 -8.440 1.00 0.00 C ATOM 360 O VAL A 24 5.948 1.439 -7.404 1.00 0.00 O ATOM 361 CB VAL A 24 4.164 2.432 -10.029 1.00 0.00 C ATOM 362 CG1 VAL A 24 3.434 3.517 -10.806 1.00 0.00 C ATOM 363 CG2 VAL A 24 4.862 1.528 -11.037 1.00 0.00 C ATOM 0 H VAL A 24 5.523 4.521 -10.269 1.00 0.00 H new ATOM 0 HA VAL A 24 4.388 3.151 -8.072 1.00 0.00 H new ATOM 0 HB VAL A 24 3.463 1.816 -9.466 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.816 3.058 -11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.801 4.088 -10.127 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.161 4.183 -11.271 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.139 1.180 -11.775 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.653 2.085 -11.539 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.294 0.671 -10.520 1.00 0.00 H new ATOM 373 N GLU A 25 7.252 1.947 -9.170 1.00 0.00 N ATOM 374 CA GLU A 25 8.214 0.901 -8.869 1.00 0.00 C ATOM 375 C GLU A 25 8.913 1.188 -7.538 1.00 0.00 C ATOM 376 O GLU A 25 9.228 0.251 -6.807 1.00 0.00 O ATOM 377 CB GLU A 25 9.210 0.705 -10.025 1.00 0.00 C ATOM 378 CG GLU A 25 8.480 0.144 -11.261 1.00 0.00 C ATOM 379 CD GLU A 25 9.329 -0.678 -12.246 1.00 0.00 C ATOM 380 OE1 GLU A 25 10.584 -0.721 -12.187 1.00 0.00 O ATOM 381 OE2 GLU A 25 8.693 -1.319 -13.125 1.00 0.00 O ATOM 0 H GLU A 25 7.500 2.554 -9.951 1.00 0.00 H new ATOM 0 HA GLU A 25 7.679 -0.043 -8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.684 1.655 -10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.004 0.023 -9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.657 -0.481 -10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.039 0.979 -11.805 1.00 0.00 H new ATOM 388 N GLU A 26 9.062 2.472 -7.200 1.00 0.00 N ATOM 389 CA GLU A 26 9.495 2.965 -5.898 1.00 0.00 C ATOM 390 C GLU A 26 8.573 2.383 -4.838 1.00 0.00 C ATOM 391 O GLU A 26 8.973 1.513 -4.067 1.00 0.00 O ATOM 392 CB GLU A 26 9.486 4.503 -5.866 1.00 0.00 C ATOM 393 CG GLU A 26 10.422 5.093 -6.921 1.00 0.00 C ATOM 394 CD GLU A 26 11.896 4.812 -6.645 1.00 0.00 C ATOM 395 OE1 GLU A 26 12.391 3.692 -6.920 1.00 0.00 O ATOM 396 OE2 GLU A 26 12.608 5.744 -6.213 1.00 0.00 O ATOM 0 H GLU A 26 8.874 3.227 -7.860 1.00 0.00 H new ATOM 0 HA GLU A 26 10.520 2.651 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.472 4.865 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.787 4.849 -4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.159 4.687 -7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.268 6.171 -6.971 1.00 0.00 H new ATOM 403 N ALA A 27 7.318 2.828 -4.855 1.00 0.00 N ATOM 404 CA ALA A 27 6.337 2.518 -3.840 1.00 0.00 C ATOM 405 C ALA A 27 6.114 1.004 -3.739 1.00 0.00 C ATOM 406 O ALA A 27 5.935 0.480 -2.641 1.00 0.00 O ATOM 407 CB ALA A 27 5.055 3.266 -4.194 1.00 0.00 C ATOM 0 H ALA A 27 6.956 3.428 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 27 6.684 2.838 -2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.291 3.053 -3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.253 4.338 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.703 2.942 -5.174 1.00 0.00 H new ATOM 413 N LEU A 28 6.140 0.280 -4.865 1.00 0.00 N ATOM 414 CA LEU A 28 6.076 -1.176 -4.877 1.00 0.00 C ATOM 415 C LEU A 28 7.234 -1.790 -4.073 1.00 0.00 C ATOM 416 O LEU A 28 6.993 -2.686 -3.264 1.00 0.00 O ATOM 417 CB LEU A 28 6.053 -1.705 -6.327 1.00 0.00 C ATOM 418 CG LEU A 28 5.027 -2.819 -6.584 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.129 -3.319 -8.030 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.145 -4.000 -5.626 1.00 0.00 C ATOM 0 H LEU A 28 6.206 0.695 -5.794 1.00 0.00 H new ATOM 0 HA LEU A 28 5.148 -1.481 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.844 -0.874 -7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.046 -2.078 -6.580 1.00 0.00 H new ATOM 0 HG LEU A 28 4.051 -2.368 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.395 -4.108 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.935 -2.494 -8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.130 -3.711 -8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.387 -4.744 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.135 -4.446 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.997 -3.655 -4.603 1.00 0.00 H new ATOM 432 N SER A 29 8.475 -1.338 -4.270 1.00 0.00 N ATOM 433 CA SER A 29 9.644 -1.856 -3.557 1.00 0.00 C ATOM 434 C SER A 29 9.512 -1.582 -2.052 1.00 0.00 C ATOM 435 O SER A 29 9.735 -2.464 -1.218 1.00 0.00 O ATOM 436 CB SER A 29 10.902 -1.181 -4.127 1.00 0.00 C ATOM 437 OG SER A 29 12.018 -2.055 -4.105 1.00 0.00 O ATOM 0 H SER A 29 8.698 -0.597 -4.934 1.00 0.00 H new ATOM 0 HA SER A 29 9.717 -2.935 -3.693 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.711 -0.859 -5.151 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.129 -0.285 -3.549 1.00 0.00 H new ATOM 0 HG SER A 29 12.800 -1.596 -4.476 1.00 0.00 H new ATOM 443 N GLU A 30 9.131 -0.355 -1.722 1.00 0.00 N ATOM 444 CA GLU A 30 9.001 0.197 -0.381 1.00 0.00 C ATOM 445 C GLU A 30 7.926 -0.545 0.412 1.00 0.00 C ATOM 446 O GLU A 30 8.085 -0.824 1.595 1.00 0.00 O ATOM 447 CB GLU A 30 8.570 1.650 -0.566 1.00 0.00 C ATOM 448 CG GLU A 30 9.586 2.540 -1.279 1.00 0.00 C ATOM 449 CD GLU A 30 10.512 3.317 -0.347 1.00 0.00 C ATOM 450 OE1 GLU A 30 10.757 2.888 0.804 1.00 0.00 O ATOM 451 OE2 GLU A 30 10.984 4.391 -0.775 1.00 0.00 O ATOM 0 H GLU A 30 8.887 0.330 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 30 9.939 0.106 0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.637 1.667 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.359 2.078 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.193 1.920 -1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.050 3.248 -1.911 1.00 0.00 H new ATOM 458 N ALA A 31 6.829 -0.924 -0.240 1.00 0.00 N ATOM 459 CA ALA A 31 5.731 -1.623 0.401 1.00 0.00 C ATOM 460 C ALA A 31 6.187 -2.938 1.021 1.00 0.00 C ATOM 461 O ALA A 31 5.893 -3.173 2.192 1.00 0.00 O ATOM 462 CB ALA A 31 4.598 -1.749 -0.596 1.00 0.00 C ATOM 0 H ALA A 31 6.682 -0.751 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 31 5.354 -1.054 1.251 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.762 -2.273 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.276 -0.756 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.940 -2.310 -1.466 1.00 0.00 H new ATOM 468 N ARG A 32 6.962 -3.762 0.307 1.00 0.00 N ATOM 469 CA ARG A 32 7.585 -4.951 0.902 1.00 0.00 C ATOM 470 C ARG A 32 8.363 -4.574 2.155 1.00 0.00 C ATOM 471 O ARG A 32 8.314 -5.291 3.159 1.00 0.00 O ATOM 472 CB ARG A 32 8.505 -5.635 -0.133 1.00 0.00 C ATOM 473 CG ARG A 32 7.806 -6.709 -0.984 1.00 0.00 C ATOM 474 CD ARG A 32 8.283 -6.696 -2.442 1.00 0.00 C ATOM 475 NE ARG A 32 7.693 -7.796 -3.224 1.00 0.00 N ATOM 476 CZ ARG A 32 7.966 -8.089 -4.499 1.00 0.00 C ATOM 477 NH1 ARG A 32 8.868 -7.399 -5.181 1.00 0.00 N ATOM 478 NH2 ARG A 32 7.334 -9.097 -5.084 1.00 0.00 N ATOM 0 H ARG A 32 7.173 -3.628 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 32 6.804 -5.654 1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.917 -4.874 -0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.345 -6.092 0.390 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.994 -7.692 -0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.728 -6.548 -0.955 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.020 -5.743 -2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.370 -6.774 -2.469 1.00 0.00 H new ATOM 0 HE ARG A 32 7.013 -8.389 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.367 -6.630 -4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.064 -7.637 -6.153 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.647 -9.640 -4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.535 -9.329 -6.057 1.00 0.00 H new ATOM 492 N GLU A 33 9.045 -3.442 2.107 1.00 0.00 N ATOM 493 CA GLU A 33 9.887 -2.949 3.157 1.00 0.00 C ATOM 494 C GLU A 33 9.090 -2.593 4.422 1.00 0.00 C ATOM 495 O GLU A 33 9.378 -3.123 5.502 1.00 0.00 O ATOM 496 CB GLU A 33 10.670 -1.747 2.587 1.00 0.00 C ATOM 497 CG GLU A 33 12.157 -1.818 2.856 1.00 0.00 C ATOM 498 CD GLU A 33 12.909 -0.787 2.015 1.00 0.00 C ATOM 499 OE1 GLU A 33 13.279 -1.097 0.862 1.00 0.00 O ATOM 500 OE2 GLU A 33 13.203 0.304 2.547 1.00 0.00 O ATOM 0 H GLU A 33 9.018 -2.824 1.296 1.00 0.00 H new ATOM 0 HA GLU A 33 10.583 -3.723 3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.505 -1.692 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.274 -0.827 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.349 -1.641 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.525 -2.818 2.628 1.00 0.00 H new ATOM 507 N HIS A 34 8.075 -1.725 4.322 1.00 0.00 N ATOM 508 CA HIS A 34 7.307 -1.303 5.487 1.00 0.00 C ATOM 509 C HIS A 34 6.417 -2.440 5.980 1.00 0.00 C ATOM 510 O HIS A 34 6.144 -2.513 7.176 1.00 0.00 O ATOM 511 CB HIS A 34 6.509 -0.022 5.206 1.00 0.00 C ATOM 512 CG HIS A 34 7.289 1.252 5.450 1.00 0.00 C ATOM 513 ND1 HIS A 34 8.597 1.512 5.092 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.778 2.402 5.988 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.857 2.796 5.393 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.790 3.369 5.981 1.00 0.00 N ATOM 0 H HIS A 34 7.771 -1.305 3.444 1.00 0.00 H new ATOM 0 HA HIS A 34 8.006 -1.060 6.287 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.170 -0.036 4.170 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.617 -0.016 5.833 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.771 2.539 6.354 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.792 3.298 5.191 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.731 4.319 6.348 1.00 0.00 H new ATOM 524 N LEU A 35 6.025 -3.378 5.115 1.00 0.00 N ATOM 525 CA LEU A 35 5.370 -4.609 5.536 1.00 0.00 C ATOM 526 C LEU A 35 6.297 -5.457 6.405 1.00 0.00 C ATOM 527 O LEU A 35 5.819 -6.122 7.323 1.00 0.00 O ATOM 528 CB LEU A 35 4.913 -5.422 4.314 1.00 0.00 C ATOM 529 CG LEU A 35 3.727 -4.791 3.567 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.528 -5.476 2.215 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.438 -4.922 4.361 1.00 0.00 C ATOM 0 H LEU A 35 6.154 -3.302 4.106 1.00 0.00 H new ATOM 0 HA LEU A 35 4.497 -4.334 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.751 -5.529 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.636 -6.425 4.638 1.00 0.00 H new ATOM 0 HG LEU A 35 3.958 -3.735 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.685 -5.019 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.429 -5.362 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.328 -6.536 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.620 -4.466 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.219 -5.977 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.549 -4.418 5.321 1.00 0.00 H new ATOM 543 N LYS A 36 7.601 -5.497 6.120 1.00 0.00 N ATOM 544 CA LYS A 36 8.562 -6.275 6.881 1.00 0.00 C ATOM 545 C LYS A 36 8.710 -5.674 8.278 1.00 0.00 C ATOM 546 O LYS A 36 8.594 -6.399 9.263 1.00 0.00 O ATOM 547 CB LYS A 36 9.890 -6.333 6.104 1.00 0.00 C ATOM 548 CG LYS A 36 10.702 -7.581 6.463 1.00 0.00 C ATOM 549 CD LYS A 36 10.836 -8.561 5.287 1.00 0.00 C ATOM 550 CE LYS A 36 11.753 -8.006 4.187 1.00 0.00 C ATOM 551 NZ LYS A 36 12.029 -8.964 3.098 1.00 0.00 N ATOM 0 H LYS A 36 8.017 -4.982 5.344 1.00 0.00 H new ATOM 0 HA LYS A 36 8.220 -7.301 7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.686 -6.327 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.478 -5.441 6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.696 -7.280 6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.227 -8.090 7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.233 -9.510 5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.850 -8.766 4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.296 -7.112 3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.698 -7.699 4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.653 -8.520 2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.493 -9.809 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.135 -9.239 2.643 1.00 0.00 H new ATOM 565 N ASN A 37 8.886 -4.350 8.359 1.00 0.00 N ATOM 566 CA ASN A 37 8.917 -3.621 9.631 1.00 0.00 C ATOM 567 C ASN A 37 7.616 -3.821 10.397 1.00 0.00 C ATOM 568 O ASN A 37 7.619 -4.042 11.610 1.00 0.00 O ATOM 569 CB ASN A 37 9.072 -2.111 9.401 1.00 0.00 C ATOM 570 CG ASN A 37 10.426 -1.744 8.845 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.451 -2.139 9.381 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.462 -1.041 7.730 1.00 0.00 N ATOM 0 H ASN A 37 9.011 -3.753 7.542 1.00 0.00 H new ATOM 0 HA ASN A 37 9.765 -4.010 10.194 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.297 -1.771 8.714 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.916 -1.586 10.343 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.358 -0.817 7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.594 -0.722 7.300 1.00 0.00 H new ATOM 579 N GLY A 38 6.508 -3.673 9.680 1.00 0.00 N ATOM 580 CA GLY A 38 5.148 -3.675 10.197 1.00 0.00 C ATOM 581 C GLY A 38 4.503 -2.288 10.168 1.00 0.00 C ATOM 582 O GLY A 38 3.341 -2.159 10.549 1.00 0.00 O ATOM 0 H GLY A 38 6.538 -3.542 8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.542 -4.365 9.610 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.154 -4.047 11.221 1.00 0.00 H new ATOM 586 N THR A 39 5.203 -1.254 9.702 1.00 0.00 N ATOM 587 CA THR A 39 4.760 0.136 9.624 1.00 0.00 C ATOM 588 C THR A 39 3.901 0.347 8.381 1.00 0.00 C ATOM 589 O THR A 39 4.044 1.330 7.657 1.00 0.00 O ATOM 590 CB THR A 39 6.005 1.046 9.630 1.00 0.00 C ATOM 591 OG1 THR A 39 7.044 0.496 8.833 1.00 0.00 O ATOM 592 CG2 THR A 39 6.566 1.223 11.039 1.00 0.00 C ATOM 0 H THR A 39 6.152 -1.373 9.348 1.00 0.00 H new ATOM 0 HA THR A 39 4.139 0.389 10.483 1.00 0.00 H new ATOM 0 HB THR A 39 5.680 2.007 9.231 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.821 1.092 8.852 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.442 1.870 11.003 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.808 1.674 11.679 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.849 0.251 11.443 1.00 0.00 H new ATOM 600 N CYS A 40 2.988 -0.576 8.099 1.00 0.00 N ATOM 601 CA CYS A 40 2.119 -0.503 6.949 1.00 0.00 C ATOM 602 C CYS A 40 0.706 -0.843 7.403 1.00 0.00 C ATOM 603 O CYS A 40 0.526 -1.623 8.336 1.00 0.00 O ATOM 604 CB CYS A 40 2.683 -1.429 5.869 1.00 0.00 C ATOM 605 SG CYS A 40 1.626 -1.493 4.398 1.00 0.00 S ATOM 0 H CYS A 40 2.835 -1.403 8.675 1.00 0.00 H new ATOM 0 HA CYS A 40 2.071 0.493 6.508 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.678 -1.088 5.584 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.795 -2.433 6.277 1.00 0.00 H new ATOM 0 HG CYS A 40 2.155 -2.290 3.518 1.00 0.00 H new ATOM 611 N GLY A 41 -0.290 -0.278 6.728 1.00 0.00 N ATOM 612 CA GLY A 41 -1.698 -0.563 6.941 1.00 0.00 C ATOM 613 C GLY A 41 -2.395 -0.928 5.641 1.00 0.00 C ATOM 614 O GLY A 41 -1.753 -1.328 4.663 1.00 0.00 O ATOM 0 H GLY A 41 -0.130 0.413 5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.801 -1.382 7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.183 0.307 7.384 1.00 0.00 H new ATOM 618 N LEU A 42 -3.720 -0.867 5.650 1.00 0.00 N ATOM 619 CA LEU A 42 -4.598 -1.007 4.506 1.00 0.00 C ATOM 620 C LEU A 42 -5.539 0.178 4.539 1.00 0.00 C ATOM 621 O LEU A 42 -6.095 0.499 5.585 1.00 0.00 O ATOM 622 CB LEU A 42 -5.434 -2.298 4.609 1.00 0.00 C ATOM 623 CG LEU A 42 -6.228 -2.592 3.317 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.327 -3.155 2.211 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.371 -3.568 3.608 1.00 0.00 C ATOM 0 H LEU A 42 -4.239 -0.708 6.514 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.014 -1.051 3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.774 -3.138 4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.127 -2.213 5.446 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.640 -1.647 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.923 -3.348 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.546 -2.433 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.871 -4.085 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.923 -3.767 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.963 -4.501 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.043 -3.132 4.347 1.00 0.00 H new ATOM 637 N VAL A 43 -5.779 0.762 3.381 1.00 0.00 N ATOM 638 CA VAL A 43 -6.882 1.669 3.156 1.00 0.00 C ATOM 639 C VAL A 43 -7.759 0.968 2.130 1.00 0.00 C ATOM 640 O VAL A 43 -7.271 0.475 1.104 1.00 0.00 O ATOM 641 CB VAL A 43 -6.314 3.013 2.692 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.389 3.967 2.160 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.586 3.729 3.831 1.00 0.00 C ATOM 0 H VAL A 43 -5.199 0.615 2.555 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.480 1.895 4.039 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.625 2.767 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.923 4.902 1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.892 3.509 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.117 4.170 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.194 4.680 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.282 3.910 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.763 3.108 4.184 1.00 0.00 H new ATOM 653 N GLU A 44 -9.049 0.893 2.432 1.00 0.00 N ATOM 654 CA GLU A 44 -10.088 0.316 1.589 1.00 0.00 C ATOM 655 C GLU A 44 -10.162 1.055 0.248 1.00 0.00 C ATOM 656 O GLU A 44 -9.738 2.208 0.157 1.00 0.00 O ATOM 657 CB GLU A 44 -11.415 0.458 2.345 1.00 0.00 C ATOM 658 CG GLU A 44 -11.434 -0.413 3.612 1.00 0.00 C ATOM 659 CD GLU A 44 -12.719 -0.235 4.416 1.00 0.00 C ATOM 660 OE1 GLU A 44 -13.076 0.919 4.739 1.00 0.00 O ATOM 661 OE2 GLU A 44 -13.379 -1.253 4.747 1.00 0.00 O ATOM 0 H GLU A 44 -9.417 1.250 3.314 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.872 -0.731 1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.571 1.502 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.240 0.172 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.325 -1.461 3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.578 -0.160 4.238 1.00 0.00 H new ATOM 668 N LEU A 45 -10.717 0.428 -0.794 1.00 0.00 N ATOM 669 CA LEU A 45 -10.903 1.077 -2.093 1.00 0.00 C ATOM 670 C LEU A 45 -12.357 1.448 -2.304 1.00 0.00 C ATOM 671 O LEU A 45 -13.256 0.612 -2.178 1.00 0.00 O ATOM 672 CB LEU A 45 -10.370 0.211 -3.241 1.00 0.00 C ATOM 673 CG LEU A 45 -8.880 0.502 -3.485 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.261 -0.643 -4.281 1.00 0.00 C ATOM 675 CD2 LEU A 45 -8.664 1.825 -4.234 1.00 0.00 C ATOM 0 H LEU A 45 -11.047 -0.536 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.318 1.997 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.507 -0.844 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.939 0.409 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.397 0.591 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.205 -0.437 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.362 -1.572 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.773 -0.739 -5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.597 1.988 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.164 1.781 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.078 2.646 -3.649 1.00 0.00 H new ATOM 687 N GLU A 46 -12.568 2.719 -2.618 1.00 0.00 N ATOM 688 CA GLU A 46 -13.819 3.440 -2.568 1.00 0.00 C ATOM 689 C GLU A 46 -13.804 4.535 -3.648 1.00 0.00 C ATOM 690 O GLU A 46 -12.751 4.823 -4.227 1.00 0.00 O ATOM 691 CB GLU A 46 -13.856 4.048 -1.161 1.00 0.00 C ATOM 692 CG GLU A 46 -15.164 3.869 -0.425 1.00 0.00 C ATOM 693 CD GLU A 46 -16.076 5.064 -0.668 1.00 0.00 C ATOM 694 OE1 GLU A 46 -16.762 5.081 -1.715 1.00 0.00 O ATOM 695 OE2 GLU A 46 -16.028 6.043 0.109 1.00 0.00 O ATOM 0 H GLU A 46 -11.804 3.314 -2.939 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.692 2.815 -2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.058 3.602 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.641 5.114 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.655 2.955 -0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.976 3.758 0.643 1.00 0.00 H new ATOM 702 N LYS A 47 -14.948 5.182 -3.883 1.00 0.00 N ATOM 703 CA LYS A 47 -15.147 6.207 -4.905 1.00 0.00 C ATOM 704 C LYS A 47 -14.114 7.323 -4.776 1.00 0.00 C ATOM 705 O LYS A 47 -13.385 7.598 -5.733 1.00 0.00 O ATOM 706 CB LYS A 47 -16.581 6.756 -4.765 1.00 0.00 C ATOM 707 CG LYS A 47 -16.931 7.913 -5.720 1.00 0.00 C ATOM 708 CD LYS A 47 -17.744 7.479 -6.938 1.00 0.00 C ATOM 709 CE LYS A 47 -16.933 6.635 -7.924 1.00 0.00 C ATOM 710 NZ LYS A 47 -17.799 6.100 -8.989 1.00 0.00 N ATOM 0 H LYS A 47 -15.794 4.997 -3.344 1.00 0.00 H new ATOM 0 HA LYS A 47 -15.015 5.770 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.284 5.940 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.726 7.095 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.492 8.669 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.008 8.384 -6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.611 6.908 -6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.123 8.364 -7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.141 7.241 -8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.450 5.814 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.229 5.531 -9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.540 5.504 -8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.241 6.887 -9.506 1.00 0.00 H new ATOM 724 N GLY A 48 -14.098 7.989 -3.626 1.00 0.00 N ATOM 725 CA GLY A 48 -13.350 9.204 -3.362 1.00 0.00 C ATOM 726 C GLY A 48 -12.096 8.921 -2.546 1.00 0.00 C ATOM 727 O GLY A 48 -11.595 9.829 -1.895 1.00 0.00 O ATOM 0 H GLY A 48 -14.634 7.677 -2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.073 9.674 -4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.982 9.912 -2.826 1.00 0.00 H new ATOM 731 N VAL A 49 -11.587 7.686 -2.564 1.00 0.00 N ATOM 732 CA VAL A 49 -10.305 7.320 -1.974 1.00 0.00 C ATOM 733 C VAL A 49 -9.185 7.743 -2.919 1.00 0.00 C ATOM 734 O VAL A 49 -8.421 8.638 -2.577 1.00 0.00 O ATOM 735 CB VAL A 49 -10.349 5.813 -1.650 1.00 0.00 C ATOM 736 CG1 VAL A 49 -9.003 5.103 -1.568 1.00 0.00 C ATOM 737 CG2 VAL A 49 -11.035 5.596 -0.298 1.00 0.00 C ATOM 0 H VAL A 49 -12.068 6.899 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.105 7.837 -1.036 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.888 5.383 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.161 4.050 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.487 5.190 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.397 5.561 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.065 4.530 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.478 6.117 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.052 5.986 -0.339 1.00 0.00 H new ATOM 747 N LEU A 50 -9.127 7.133 -4.111 1.00 0.00 N ATOM 748 CA LEU A 50 -8.151 7.378 -5.178 1.00 0.00 C ATOM 749 C LEU A 50 -7.845 8.880 -5.324 1.00 0.00 C ATOM 750 O LEU A 50 -6.677 9.232 -5.195 1.00 0.00 O ATOM 751 CB LEU A 50 -8.689 6.753 -6.481 1.00 0.00 C ATOM 752 CG LEU A 50 -8.450 5.246 -6.724 1.00 0.00 C ATOM 753 CD1 LEU A 50 -8.343 4.985 -8.231 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.253 4.623 -5.998 1.00 0.00 C ATOM 0 H LEU A 50 -9.801 6.413 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.199 6.908 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.764 6.929 -6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.251 7.298 -7.317 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.316 4.750 -6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.174 3.922 -8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.268 5.290 -8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.510 5.556 -8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.188 3.564 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.337 5.125 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.381 4.736 -4.921 1.00 0.00 H new ATOM 766 N PRO A 51 -8.823 9.790 -5.505 1.00 0.00 N ATOM 767 CA PRO A 51 -8.567 11.220 -5.701 1.00 0.00 C ATOM 768 C PRO A 51 -8.312 11.967 -4.374 1.00 0.00 C ATOM 769 O PRO A 51 -8.827 13.066 -4.130 1.00 0.00 O ATOM 770 CB PRO A 51 -9.810 11.704 -6.447 1.00 0.00 C ATOM 771 CG PRO A 51 -10.916 10.874 -5.812 1.00 0.00 C ATOM 772 CD PRO A 51 -10.248 9.527 -5.617 1.00 0.00 C ATOM 0 HA PRO A 51 -7.653 11.414 -6.262 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.975 12.773 -6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.734 11.527 -7.520 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.251 11.301 -4.867 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.791 10.803 -6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.624 9.033 -4.721 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.456 8.865 -6.457 1.00 0.00 H new ATOM 780 N GLN A 52 -7.502 11.354 -3.512 1.00 0.00 N ATOM 781 CA GLN A 52 -6.854 11.887 -2.318 1.00 0.00 C ATOM 782 C GLN A 52 -5.505 11.207 -2.086 1.00 0.00 C ATOM 783 O GLN A 52 -4.767 11.598 -1.184 1.00 0.00 O ATOM 784 CB GLN A 52 -7.674 11.612 -1.048 1.00 0.00 C ATOM 785 CG GLN A 52 -9.166 11.902 -1.150 1.00 0.00 C ATOM 786 CD GLN A 52 -9.802 11.949 0.230 1.00 0.00 C ATOM 787 OE1 GLN A 52 -9.416 12.768 1.063 1.00 0.00 O ATOM 788 NE2 GLN A 52 -10.759 11.083 0.503 1.00 0.00 N ATOM 0 H GLN A 52 -7.260 10.372 -3.648 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.751 12.958 -2.491 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.544 10.565 -0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.261 12.209 -0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.322 12.853 -1.660 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.650 11.134 -1.753 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.060 10.415 -0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.198 11.082 1.424 1.00 0.00 H new ATOM 797 N LEU A 53 -5.216 10.112 -2.784 1.00 0.00 N ATOM 798 CA LEU A 53 -3.985 9.361 -2.607 1.00 0.00 C ATOM 799 C LEU A 53 -2.964 9.966 -3.548 1.00 0.00 C ATOM 800 O LEU A 53 -3.328 10.673 -4.489 1.00 0.00 O ATOM 801 CB LEU A 53 -4.248 7.883 -2.921 1.00 0.00 C ATOM 802 CG LEU A 53 -5.303 7.271 -2.003 1.00 0.00 C ATOM 803 CD1 LEU A 53 -5.707 5.881 -2.460 1.00 0.00 C ATOM 804 CD2 LEU A 53 -4.859 7.220 -0.547 1.00 0.00 C ATOM 0 H LEU A 53 -5.837 9.721 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.613 9.412 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.572 7.787 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.318 7.323 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.167 7.932 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.459 5.479 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.119 5.935 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.833 5.230 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.649 6.776 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.955 6.617 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.655 8.231 -0.193 1.00 0.00 H new ATOM 816 N GLU A 54 -1.691 9.695 -3.275 1.00 0.00 N ATOM 817 CA GLU A 54 -0.619 10.448 -3.892 1.00 0.00 C ATOM 818 C GLU A 54 -0.561 10.177 -5.366 1.00 0.00 C ATOM 819 O GLU A 54 -0.967 11.054 -6.127 1.00 0.00 O ATOM 820 CB GLU A 54 0.698 10.245 -3.139 1.00 0.00 C ATOM 821 CG GLU A 54 0.537 10.851 -1.736 1.00 0.00 C ATOM 822 CD GLU A 54 1.854 11.153 -1.033 1.00 0.00 C ATOM 823 OE1 GLU A 54 2.794 11.657 -1.693 1.00 0.00 O ATOM 824 OE2 GLU A 54 1.912 10.999 0.210 1.00 0.00 O ATOM 0 H GLU A 54 -1.384 8.963 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.822 11.516 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.939 9.184 -3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.520 10.725 -3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.040 11.772 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.042 10.163 -1.119 1.00 0.00 H new ATOM 831 N GLN A 55 -0.113 8.994 -5.759 1.00 0.00 N ATOM 832 CA GLN A 55 -0.357 8.503 -7.085 1.00 0.00 C ATOM 833 C GLN A 55 -0.030 7.031 -7.246 1.00 0.00 C ATOM 834 O GLN A 55 -0.883 6.328 -7.776 1.00 0.00 O ATOM 835 CB GLN A 55 0.392 9.324 -8.137 1.00 0.00 C ATOM 836 CG GLN A 55 -0.571 9.559 -9.281 1.00 0.00 C ATOM 837 CD GLN A 55 -1.622 10.607 -8.981 1.00 0.00 C ATOM 838 OE1 GLN A 55 -1.401 11.813 -9.039 1.00 0.00 O ATOM 839 NE2 GLN A 55 -2.789 10.120 -8.619 1.00 0.00 N ATOM 0 H GLN A 55 0.424 8.361 -5.166 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.429 8.616 -7.245 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.731 10.271 -7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.279 8.792 -8.482 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.007 9.863 -10.163 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.066 8.620 -9.527 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.932 9.111 -8.584 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.551 10.752 -8.374 1.00 0.00 H new ATOM 848 N PRO A 56 1.161 6.545 -6.848 1.00 0.00 N ATOM 849 CA PRO A 56 1.471 5.150 -7.021 1.00 0.00 C ATOM 850 C PRO A 56 0.739 4.365 -5.943 1.00 0.00 C ATOM 851 O PRO A 56 1.182 4.220 -4.796 1.00 0.00 O ATOM 852 CB PRO A 56 2.980 5.045 -7.042 1.00 0.00 C ATOM 853 CG PRO A 56 3.471 6.256 -6.262 1.00 0.00 C ATOM 854 CD PRO A 56 2.340 7.282 -6.413 1.00 0.00 C ATOM 0 HA PRO A 56 1.126 4.710 -7.956 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.317 4.116 -6.582 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.362 5.052 -8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.649 6.010 -5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.410 6.636 -6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.151 7.791 -5.468 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.607 8.048 -7.140 1.00 0.00 H new ATOM 862 N TYR A 57 -0.454 3.930 -6.320 1.00 0.00 N ATOM 863 CA TYR A 57 -1.383 3.214 -5.466 1.00 0.00 C ATOM 864 C TYR A 57 -0.908 1.761 -5.397 1.00 0.00 C ATOM 865 O TYR A 57 -1.177 0.963 -6.298 1.00 0.00 O ATOM 866 CB TYR A 57 -2.818 3.328 -6.002 1.00 0.00 C ATOM 867 CG TYR A 57 -3.312 4.713 -6.400 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.005 5.876 -5.655 1.00 0.00 C ATOM 869 CD2 TYR A 57 -4.102 4.818 -7.558 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.476 7.139 -6.083 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.613 6.063 -7.955 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.311 7.219 -7.216 1.00 0.00 C ATOM 873 OH TYR A 57 -4.844 8.406 -7.598 1.00 0.00 O ATOM 0 H TYR A 57 -0.813 4.072 -7.264 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.402 3.643 -4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.905 2.677 -6.872 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.493 2.936 -5.242 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.410 5.799 -4.757 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.316 3.937 -8.144 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.198 8.034 -5.547 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.240 6.133 -8.831 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.439 8.739 -6.894 1.00 0.00 H new ATOM 883 N VAL A 58 -0.142 1.424 -4.358 1.00 0.00 N ATOM 884 CA VAL A 58 0.374 0.075 -4.156 1.00 0.00 C ATOM 885 C VAL A 58 -0.773 -0.824 -3.708 1.00 0.00 C ATOM 886 O VAL A 58 -1.121 -0.879 -2.527 1.00 0.00 O ATOM 887 CB VAL A 58 1.572 0.030 -3.197 1.00 0.00 C ATOM 888 CG1 VAL A 58 2.282 -1.324 -3.333 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.590 1.119 -3.521 1.00 0.00 C ATOM 0 H VAL A 58 0.137 2.084 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 58 0.769 -0.296 -5.102 1.00 0.00 H new ATOM 0 HB VAL A 58 1.191 0.182 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.133 -1.358 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.587 -2.126 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.631 -1.450 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.424 1.057 -2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.958 0.982 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.116 2.097 -3.435 1.00 0.00 H new ATOM 899 N PHE A 59 -1.418 -1.473 -4.666 1.00 0.00 N ATOM 900 CA PHE A 59 -2.580 -2.304 -4.456 1.00 0.00 C ATOM 901 C PHE A 59 -2.243 -3.682 -3.942 1.00 0.00 C ATOM 902 O PHE A 59 -1.154 -4.227 -4.140 1.00 0.00 O ATOM 903 CB PHE A 59 -3.307 -2.472 -5.793 1.00 0.00 C ATOM 904 CG PHE A 59 -3.961 -1.252 -6.388 1.00 0.00 C ATOM 905 CD1 PHE A 59 -4.743 -0.415 -5.579 1.00 0.00 C ATOM 906 CD2 PHE A 59 -3.836 -0.986 -7.762 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.343 0.734 -6.117 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.468 0.152 -8.299 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.209 1.016 -7.481 1.00 0.00 C ATOM 0 H PHE A 59 -1.131 -1.430 -5.644 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.194 -1.808 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.591 -2.857 -6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.074 -3.236 -5.665 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.884 -0.656 -4.536 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.263 -1.645 -8.397 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.907 1.399 -5.480 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.381 0.362 -9.355 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.674 1.895 -7.902 1.00 0.00 H new ATOM 919 N ILE A 60 -3.303 -4.285 -3.420 1.00 0.00 N ATOM 920 CA ILE A 60 -3.427 -5.707 -3.238 1.00 0.00 C ATOM 921 C ILE A 60 -4.575 -6.175 -4.123 1.00 0.00 C ATOM 922 O ILE A 60 -5.700 -5.688 -3.998 1.00 0.00 O ATOM 923 CB ILE A 60 -3.586 -6.037 -1.744 1.00 0.00 C ATOM 924 CG1 ILE A 60 -4.920 -5.611 -1.104 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.426 -5.422 -0.967 1.00 0.00 C ATOM 926 CD1 ILE A 60 -5.082 -6.057 0.347 1.00 0.00 C ATOM 0 H ILE A 60 -4.124 -3.770 -3.103 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.532 -6.249 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.583 -7.126 -1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.004 -4.525 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.741 -6.020 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.535 -5.653 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.485 -5.832 -1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.429 -4.341 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.046 -5.719 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.032 -7.145 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.283 -5.627 0.951 1.00 0.00 H new ATOM 938 N LYS A 61 -4.301 -7.099 -5.039 1.00 0.00 N ATOM 939 CA LYS A 61 -5.323 -7.822 -5.791 1.00 0.00 C ATOM 940 C LYS A 61 -5.275 -9.262 -5.362 1.00 0.00 C ATOM 941 O LYS A 61 -4.199 -9.765 -5.049 1.00 0.00 O ATOM 942 CB LYS A 61 -5.107 -7.777 -7.309 1.00 0.00 C ATOM 943 CG LYS A 61 -3.656 -7.657 -7.760 1.00 0.00 C ATOM 944 CD LYS A 61 -3.464 -8.228 -9.175 1.00 0.00 C ATOM 945 CE LYS A 61 -4.101 -7.359 -10.248 1.00 0.00 C ATOM 946 NZ LYS A 61 -3.885 -7.963 -11.582 1.00 0.00 N ATOM 0 H LYS A 61 -3.349 -7.371 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.281 -7.346 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.532 -8.680 -7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.666 -6.933 -7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.353 -6.610 -7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.010 -8.187 -7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.398 -8.329 -9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.894 -9.229 -9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.169 -7.254 -10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.672 -6.358 -10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.873 -7.215 -12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.976 -8.468 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.654 -8.631 -11.789 1.00 0.00 H new ATOM 960 N ARG A 62 -6.425 -9.931 -5.365 1.00 0.00 N ATOM 961 CA ARG A 62 -6.465 -11.331 -5.003 1.00 0.00 C ATOM 962 C ARG A 62 -5.952 -12.187 -6.165 1.00 0.00 C ATOM 963 O ARG A 62 -6.617 -12.249 -7.201 1.00 0.00 O ATOM 964 CB ARG A 62 -7.827 -11.686 -4.392 1.00 0.00 C ATOM 965 CG ARG A 62 -8.919 -12.056 -5.388 1.00 0.00 C ATOM 966 CD ARG A 62 -10.226 -12.324 -4.643 1.00 0.00 C ATOM 967 NE ARG A 62 -10.870 -13.578 -5.076 1.00 0.00 N ATOM 968 CZ ARG A 62 -12.148 -13.734 -5.429 1.00 0.00 C ATOM 969 NH1 ARG A 62 -12.997 -12.708 -5.383 1.00 0.00 N ATOM 970 NH2 ARG A 62 -12.545 -14.936 -5.824 1.00 0.00 N ATOM 0 H ARG A 62 -7.328 -9.526 -5.612 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.771 -11.566 -4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.690 -12.520 -3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.172 -10.838 -3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.058 -11.248 -6.107 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.624 -12.939 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.028 -12.371 -3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.911 -11.492 -4.805 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.280 -14.409 -5.109 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.673 -11.791 -5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.971 -12.840 -5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.880 -15.709 -5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.515 -15.087 -6.100 1.00 0.00 H new ATOM 984 N SER A 63 -4.774 -12.799 -5.998 1.00 0.00 N ATOM 985 CA SER A 63 -4.201 -13.765 -6.925 1.00 0.00 C ATOM 986 C SER A 63 -5.240 -14.811 -7.294 1.00 0.00 C ATOM 987 O SER A 63 -5.726 -14.843 -8.422 1.00 0.00 O ATOM 988 CB SER A 63 -2.868 -14.357 -6.457 1.00 0.00 C ATOM 989 OG SER A 63 -2.929 -15.354 -5.467 1.00 0.00 O ATOM 0 H SER A 63 -4.180 -12.626 -5.187 1.00 0.00 H new ATOM 0 HA SER A 63 -3.932 -13.229 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.357 -14.772 -7.326 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.248 -13.543 -6.081 1.00 0.00 H new ATOM 0 HG SER A 63 -2.022 -15.656 -5.251 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.273 -16.611 -0.050 1.00 0.00 N ATOM 1117 CA LYS A 73 -8.161 -15.612 -1.109 1.00 0.00 C ATOM 1118 C LYS A 73 -6.798 -14.947 -1.047 1.00 0.00 C ATOM 1119 O LYS A 73 -6.691 -13.806 -0.593 1.00 0.00 O ATOM 1120 CB LYS A 73 -9.265 -14.561 -0.969 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.631 -15.086 -1.438 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.695 -15.190 -0.332 1.00 0.00 C ATOM 1123 CE LYS A 73 -12.900 -14.281 -0.627 1.00 0.00 C ATOM 1124 NZ LYS A 73 -14.171 -14.946 -0.279 1.00 0.00 N ATOM 0 HA LYS A 73 -8.273 -16.107 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.336 -14.248 0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.999 -13.678 -1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.006 -14.430 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.493 -16.071 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.030 -16.223 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.255 -14.914 0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.806 -13.354 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.905 -14.012 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.965 -14.308 -0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.270 -15.818 -0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.174 -15.181 0.734 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.760 -15.640 -1.486 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.412 -15.108 -1.579 1.00 0.00 C ATOM 1140 C VAL A 74 -4.430 -13.796 -2.370 1.00 0.00 C ATOM 1141 O VAL A 74 -5.228 -13.657 -3.297 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.533 -16.169 -2.257 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -2.142 -15.627 -2.542 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.403 -17.441 -1.403 1.00 0.00 C ATOM 0 H VAL A 74 -5.834 -16.610 -1.794 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.006 -14.886 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.028 -16.424 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.542 -16.400 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.216 -14.763 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.669 -15.329 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.773 -18.164 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.953 -17.190 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.391 -17.872 -1.239 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.534 -12.860 -2.042 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.314 -11.631 -2.795 1.00 0.00 C ATOM 1156 C VAL A 75 -1.851 -11.544 -3.255 1.00 0.00 C ATOM 1157 O VAL A 75 -1.107 -12.529 -3.167 1.00 0.00 O ATOM 1158 CB VAL A 75 -3.883 -10.407 -2.033 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.411 -10.497 -1.834 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.214 -10.173 -0.683 1.00 0.00 C ATOM 0 H VAL A 75 -2.929 -12.942 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.884 -11.635 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.657 -9.555 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.760 -9.616 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.902 -10.547 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.651 -11.392 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.659 -9.302 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.356 -11.049 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.148 -10.001 -0.830 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.458 -10.421 -3.848 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.074 -10.100 -4.162 1.00 0.00 C ATOM 1172 C GLU A 76 0.129 -8.594 -3.939 1.00 0.00 C ATOM 1173 O GLU A 76 -0.807 -7.905 -3.526 1.00 0.00 O ATOM 1174 CB GLU A 76 0.302 -10.620 -5.567 1.00 0.00 C ATOM 1175 CG GLU A 76 0.004 -9.675 -6.741 1.00 0.00 C ATOM 1176 CD GLU A 76 0.493 -10.276 -8.059 1.00 0.00 C ATOM 1177 OE1 GLU A 76 -0.162 -11.214 -8.563 1.00 0.00 O ATOM 1178 OE2 GLU A 76 1.540 -9.832 -8.592 1.00 0.00 O ATOM 0 H GLU A 76 -2.112 -9.691 -4.130 1.00 0.00 H new ATOM 0 HA GLU A 76 0.622 -10.612 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.368 -10.850 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.227 -11.557 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.068 -9.485 -6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.489 -8.714 -6.572 1.00 0.00 H new ATOM 1185 N LEU A 77 1.337 -8.078 -4.194 1.00 0.00 N ATOM 1186 CA LEU A 77 1.657 -6.653 -4.130 1.00 0.00 C ATOM 1187 C LEU A 77 1.776 -6.140 -5.566 1.00 0.00 C ATOM 1188 O LEU A 77 2.595 -6.656 -6.328 1.00 0.00 O ATOM 1189 CB LEU A 77 2.956 -6.440 -3.317 1.00 0.00 C ATOM 1190 CG LEU A 77 2.708 -6.563 -1.795 1.00 0.00 C ATOM 1191 CD1 LEU A 77 3.941 -6.899 -0.943 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.146 -5.258 -1.238 1.00 0.00 C ATOM 0 H LEU A 77 2.136 -8.656 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 77 0.875 -6.092 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.701 -7.174 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.367 -5.455 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 77 2.013 -7.399 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.652 -6.961 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.354 -7.856 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.693 -6.119 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.978 -5.363 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.856 -4.450 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.202 -5.028 -1.733 1.00 0.00 H new ATOM 1204 N VAL A 78 0.963 -5.149 -5.934 1.00 0.00 N ATOM 1205 CA VAL A 78 0.926 -4.484 -7.242 1.00 0.00 C ATOM 1206 C VAL A 78 1.123 -2.989 -6.988 1.00 0.00 C ATOM 1207 O VAL A 78 1.017 -2.547 -5.849 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.420 -4.803 -7.944 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.634 -4.216 -9.348 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -0.593 -6.312 -8.077 1.00 0.00 C ATOM 0 H VAL A 78 0.271 -4.765 -5.291 1.00 0.00 H new ATOM 0 HA VAL A 78 1.713 -4.836 -7.909 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.151 -4.325 -7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.613 -4.515 -9.722 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.581 -3.128 -9.300 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.140 -4.587 -10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.541 -6.527 -8.571 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.226 -6.721 -8.669 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.588 -6.767 -7.087 1.00 0.00 H new ATOM 1220 N ALA A 79 1.372 -2.194 -8.026 1.00 0.00 N ATOM 1221 CA ALA A 79 1.311 -0.738 -7.968 1.00 0.00 C ATOM 1222 C ALA A 79 0.725 -0.241 -9.282 1.00 0.00 C ATOM 1223 O ALA A 79 0.634 -0.998 -10.253 1.00 0.00 O ATOM 1224 CB ALA A 79 2.684 -0.126 -7.669 1.00 0.00 C ATOM 0 H ALA A 79 1.626 -2.551 -8.947 1.00 0.00 H new ATOM 0 HA ALA A 79 0.669 -0.422 -7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.598 0.960 -7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.045 -0.493 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.387 -0.409 -8.452 1.00 0.00 H new ATOM 1230 N GLU A 80 0.280 1.010 -9.304 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.500 1.564 -10.393 1.00 0.00 C ATOM 1232 C GLU A 80 -0.437 3.078 -10.264 1.00 0.00 C ATOM 1233 O GLU A 80 -0.501 3.592 -9.154 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.928 1.025 -10.286 1.00 0.00 C ATOM 1235 CG GLU A 80 -2.390 0.384 -11.598 1.00 0.00 C ATOM 1236 CD GLU A 80 -2.972 1.378 -12.599 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -2.591 2.571 -12.579 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -3.919 0.967 -13.303 1.00 0.00 O ATOM 0 H GLU A 80 0.457 1.675 -8.551 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.117 1.281 -11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.980 0.290 -9.483 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.605 1.837 -10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.545 -0.128 -12.058 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.140 -0.375 -11.376 1.00 0.00 H new ATOM 1245 N MET A 81 -0.258 3.766 -11.384 1.00 0.00 N ATOM 1246 CA MET A 81 0.069 5.181 -11.473 1.00 0.00 C ATOM 1247 C MET A 81 -1.187 6.056 -11.563 1.00 0.00 C ATOM 1248 O MET A 81 -1.126 7.258 -11.329 1.00 0.00 O ATOM 1249 CB MET A 81 1.001 5.332 -12.689 1.00 0.00 C ATOM 1250 CG MET A 81 0.831 6.611 -13.499 1.00 0.00 C ATOM 1251 SD MET A 81 2.276 6.968 -14.516 1.00 0.00 S ATOM 1252 CE MET A 81 3.302 7.754 -13.238 1.00 0.00 C ATOM 0 H MET A 81 -0.342 3.328 -12.302 1.00 0.00 H new ATOM 0 HA MET A 81 0.572 5.529 -10.571 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.033 5.279 -12.341 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.844 4.481 -13.352 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.048 6.521 -14.138 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.649 7.446 -12.823 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.345 7.474 -13.386 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.204 8.837 -13.308 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.973 7.423 -12.253 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.344 5.498 -11.903 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.617 6.227 -11.821 1.00 0.00 C ATOM 1264 C ASP A 82 -4.706 5.315 -11.265 1.00 0.00 C ATOM 1265 O ASP A 82 -5.876 5.687 -11.168 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.983 6.756 -13.214 1.00 0.00 C ATOM 1267 CG ASP A 82 -5.121 7.766 -13.177 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -4.854 8.915 -12.760 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -6.240 7.438 -13.640 1.00 0.00 O ATOM 0 H ASP A 82 -2.433 4.539 -12.240 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.520 7.075 -11.143 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.105 7.220 -13.664 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.265 5.920 -13.853 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.337 4.078 -10.923 1.00 0.00 N ATOM 1275 CA GLY A 83 -5.261 2.981 -10.781 1.00 0.00 C ATOM 1276 C GLY A 83 -6.127 2.847 -12.030 1.00 0.00 C ATOM 1277 O GLY A 83 -7.306 2.524 -11.868 1.00 0.00 O ATOM 0 H GLY A 83 -3.368 3.820 -10.737 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.712 2.055 -10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.894 3.141 -9.908 1.00 0.00 H new ATOM 1281 N ILE A 84 -5.573 3.154 -13.216 1.00 0.00 N ATOM 1282 CA ILE A 84 -6.158 3.107 -14.558 1.00 0.00 C ATOM 1283 C ILE A 84 -7.296 2.084 -14.599 1.00 0.00 C ATOM 1284 O ILE A 84 -8.460 2.472 -14.697 1.00 0.00 O ATOM 1285 CB ILE A 84 -5.057 2.802 -15.620 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -3.872 3.798 -15.585 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -5.656 2.756 -17.034 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -2.607 3.288 -16.285 1.00 0.00 C ATOM 0 H ILE A 84 -4.605 3.473 -13.257 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.582 4.081 -14.802 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.657 1.823 -15.357 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.182 4.732 -16.053 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.633 4.026 -14.546 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.868 2.542 -17.756 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.415 1.975 -17.082 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.111 3.719 -17.268 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.824 4.043 -16.217 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.269 2.370 -15.803 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.827 3.088 -17.334 1.00 0.00 H new ATOM 1300 N GLN A 85 -6.958 0.794 -14.485 1.00 0.00 N ATOM 1301 CA GLN A 85 -7.930 -0.298 -14.523 1.00 0.00 C ATOM 1302 C GLN A 85 -8.214 -0.812 -13.112 1.00 0.00 C ATOM 1303 O GLN A 85 -9.356 -0.892 -12.667 1.00 0.00 O ATOM 1304 CB GLN A 85 -7.410 -1.474 -15.368 1.00 0.00 C ATOM 1305 CG GLN A 85 -6.949 -1.136 -16.788 1.00 0.00 C ATOM 1306 CD GLN A 85 -6.631 -2.425 -17.548 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -7.399 -3.387 -17.523 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -5.502 -2.501 -18.221 1.00 0.00 N ATOM 0 H GLN A 85 -5.995 0.480 -14.363 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.842 0.097 -14.970 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.576 -1.934 -14.838 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.199 -2.224 -15.433 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.726 -0.577 -17.310 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.067 -0.497 -16.752 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.866 -1.704 -18.242 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.263 -3.357 -18.722 1.00 0.00 H new ATOM 1317 N TYR A 86 -7.140 -1.232 -12.446 1.00 0.00 N ATOM 1318 CA TYR A 86 -7.060 -1.950 -11.176 1.00 0.00 C ATOM 1319 C TYR A 86 -7.805 -1.216 -10.053 1.00 0.00 C ATOM 1320 O TYR A 86 -8.365 -1.853 -9.158 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.592 -1.994 -10.814 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.729 -2.780 -11.777 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -4.208 -2.169 -12.925 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -4.364 -4.091 -11.462 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -3.203 -2.783 -13.681 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -3.290 -4.684 -12.158 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.702 -4.032 -13.264 1.00 0.00 C ATOM 1328 OH TYR A 86 -1.693 -4.626 -13.947 1.00 0.00 O ATOM 0 H TYR A 86 -6.208 -1.060 -12.822 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.511 -2.936 -11.283 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.214 -0.973 -10.758 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.489 -2.426 -9.819 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.589 -1.206 -13.232 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.895 -4.641 -10.699 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -2.817 -2.307 -14.570 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.914 -5.646 -11.842 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.470 -5.481 -13.523 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.794 0.117 -10.061 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.444 0.922 -9.045 1.00 0.00 C ATOM 1340 C GLY A 87 -9.945 0.842 -9.260 1.00 0.00 C ATOM 1341 O GLY A 87 -10.417 1.169 -10.347 1.00 0.00 O ATOM 0 H GLY A 87 -7.327 0.667 -10.783 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.183 0.561 -8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.106 1.957 -9.107 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.706 0.421 -8.242 1.00 0.00 N ATOM 1346 CA ARG A 88 -12.116 0.037 -8.362 1.00 0.00 C ATOM 1347 C ARG A 88 -12.371 -1.073 -9.400 1.00 0.00 C ATOM 1348 O ARG A 88 -13.523 -1.318 -9.769 1.00 0.00 O ATOM 1349 CB ARG A 88 -13.120 1.217 -8.299 1.00 0.00 C ATOM 1350 CG ARG A 88 -12.995 2.403 -9.268 1.00 0.00 C ATOM 1351 CD ARG A 88 -12.022 3.482 -8.742 1.00 0.00 C ATOM 1352 NE ARG A 88 -11.935 4.700 -9.570 1.00 0.00 N ATOM 1353 CZ ARG A 88 -11.385 4.824 -10.786 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -11.020 3.759 -11.499 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -11.190 6.038 -11.286 1.00 0.00 N ATOM 0 H ARG A 88 -10.349 0.336 -7.290 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.367 -0.473 -7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -14.117 0.798 -8.432 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.076 1.622 -7.288 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.648 2.044 -10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.978 2.847 -9.426 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.328 3.766 -7.735 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.027 3.044 -8.661 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.341 5.546 -9.171 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.157 2.821 -11.122 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.604 3.882 -12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.458 6.861 -10.746 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -10.772 6.148 -12.210 1.00 0.00 H new ATOM 1369 N SER A 89 -11.347 -1.845 -9.791 1.00 0.00 N ATOM 1370 CA SER A 89 -11.564 -3.247 -10.136 1.00 0.00 C ATOM 1371 C SER A 89 -11.811 -4.004 -8.828 1.00 0.00 C ATOM 1372 O SER A 89 -11.058 -3.842 -7.866 1.00 0.00 O ATOM 1373 CB SER A 89 -10.346 -3.856 -10.837 1.00 0.00 C ATOM 1374 OG SER A 89 -10.149 -3.329 -12.131 1.00 0.00 O ATOM 0 H SER A 89 -10.382 -1.526 -9.874 1.00 0.00 H new ATOM 0 HA SER A 89 -12.410 -3.321 -10.820 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.456 -3.675 -10.235 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.471 -4.937 -10.903 1.00 0.00 H new ATOM 0 HG SER A 89 -9.869 -2.392 -12.064 1.00 0.00 H new ATOM 1380 N GLY A 90 -12.830 -4.861 -8.781 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.263 -5.521 -7.552 1.00 0.00 C ATOM 1382 C GLY A 90 -12.338 -6.644 -7.076 1.00 0.00 C ATOM 1383 O GLY A 90 -12.506 -7.134 -5.957 1.00 0.00 O ATOM 0 H GLY A 90 -13.381 -5.118 -9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.343 -4.774 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.261 -5.930 -7.706 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.381 -7.064 -7.908 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.247 -7.913 -7.542 1.00 0.00 C ATOM 1389 C ILE A 91 -9.401 -7.245 -6.461 1.00 0.00 C ATOM 1390 O ILE A 91 -8.830 -7.929 -5.605 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.402 -8.200 -8.804 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.199 -9.089 -8.496 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -8.904 -6.915 -9.521 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -7.379 -9.455 -9.737 1.00 0.00 C ATOM 0 H ILE A 91 -11.376 -6.810 -8.896 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.616 -8.855 -7.136 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.082 -8.721 -9.478 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.554 -8.579 -7.781 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.546 -10.004 -8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.318 -7.191 -10.398 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.760 -6.316 -9.831 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.284 -6.335 -8.838 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.540 -10.087 -9.445 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.010 -9.993 -10.445 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.002 -8.546 -10.205 1.00 0.00 H new ATOM 1406 N THR A 92 -9.271 -5.923 -6.548 1.00 0.00 N ATOM 1407 CA THR A 92 -8.417 -5.157 -5.680 1.00 0.00 C ATOM 1408 C THR A 92 -9.151 -4.983 -4.347 1.00 0.00 C ATOM 1409 O THR A 92 -10.369 -4.762 -4.324 1.00 0.00 O ATOM 1410 CB THR A 92 -8.075 -3.821 -6.347 1.00 0.00 C ATOM 1411 OG1 THR A 92 -7.764 -4.011 -7.718 1.00 0.00 O ATOM 1412 CG2 THR A 92 -6.833 -3.241 -5.686 1.00 0.00 C ATOM 0 H THR A 92 -9.768 -5.358 -7.237 1.00 0.00 H new ATOM 0 HA THR A 92 -7.470 -5.662 -5.492 1.00 0.00 H new ATOM 0 HB THR A 92 -8.935 -3.159 -6.245 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.232 -3.338 -8.256 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.582 -2.289 -6.155 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.026 -3.083 -4.625 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.000 -3.934 -5.804 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.428 -5.121 -3.234 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.032 -5.107 -1.898 1.00 0.00 C ATOM 1422 C LEU A 93 -8.749 -3.791 -1.174 1.00 0.00 C ATOM 1423 O LEU A 93 -9.561 -3.344 -0.367 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.600 -6.303 -1.048 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.502 -7.650 -1.786 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -8.083 -8.699 -0.763 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -9.817 -8.085 -2.442 1.00 0.00 C ATOM 0 H LEU A 93 -7.416 -5.245 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.109 -5.192 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.628 -6.080 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.305 -6.412 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.779 -7.542 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.003 -9.671 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.118 -8.426 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.828 -8.752 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.674 -9.042 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.588 -8.187 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.125 -7.336 -3.171 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.609 -3.160 -1.462 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.200 -1.903 -0.862 1.00 0.00 C ATOM 1441 C GLY A 94 -5.809 -1.547 -1.368 1.00 0.00 C ATOM 1442 O GLY A 94 -5.304 -2.170 -2.309 1.00 0.00 O ATOM 0 H GLY A 94 -6.934 -3.523 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.908 -1.115 -1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.196 -1.987 0.225 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.208 -0.547 -0.739 1.00 0.00 N ATOM 1447 CA VAL A 95 -3.877 -0.025 -1.015 1.00 0.00 C ATOM 1448 C VAL A 95 -3.128 0.004 0.311 1.00 0.00 C ATOM 1449 O VAL A 95 -3.725 0.218 1.373 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.003 1.381 -1.646 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -2.668 2.096 -1.862 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -4.727 1.454 -2.981 1.00 0.00 C ATOM 0 H VAL A 95 -5.665 -0.048 0.024 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.329 -0.645 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.602 1.874 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.847 3.074 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.163 2.221 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.041 1.503 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.753 2.488 -3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.202 0.841 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.746 1.085 -2.863 1.00 0.00 H new ATOM 1462 N LEU A 96 -1.826 -0.248 0.236 1.00 0.00 N ATOM 1463 CA LEU A 96 -0.903 -0.203 1.351 1.00 0.00 C ATOM 1464 C LEU A 96 -0.441 1.229 1.572 1.00 0.00 C ATOM 1465 O LEU A 96 -0.213 1.959 0.610 1.00 0.00 O ATOM 1466 CB LEU A 96 0.333 -1.044 1.030 1.00 0.00 C ATOM 1467 CG LEU A 96 0.187 -2.571 0.991 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -0.818 -3.160 1.989 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -0.194 -3.032 -0.408 1.00 0.00 C ATOM 0 H LEU A 96 -1.372 -0.499 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.408 -0.586 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.711 -0.722 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.099 -0.803 1.767 1.00 0.00 H new ATOM 0 HG LEU A 96 1.168 -2.944 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.846 -4.244 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.515 -2.905 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.809 -2.750 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.294 -4.117 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.142 -2.578 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.581 -2.732 -1.114 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.238 1.609 2.828 1.00 0.00 N ATOM 1482 CA VAL A 97 0.128 2.959 3.261 1.00 0.00 C ATOM 1483 C VAL A 97 0.982 2.867 4.529 1.00 0.00 C ATOM 1484 O VAL A 97 0.886 1.845 5.215 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.146 3.783 3.521 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -1.791 4.226 2.193 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.170 3.025 4.401 1.00 0.00 C ATOM 0 H VAL A 97 -0.327 0.959 3.609 1.00 0.00 H new ATOM 0 HA VAL A 97 0.706 3.456 2.482 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.843 4.670 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.690 4.807 2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.085 4.838 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.055 3.347 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.050 3.649 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.463 2.100 3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.718 2.791 5.365 1.00 0.00 H new ATOM 1497 N PRO A 98 1.822 3.869 4.846 1.00 0.00 N ATOM 1498 CA PRO A 98 2.712 3.829 5.999 1.00 0.00 C ATOM 1499 C PRO A 98 1.943 4.098 7.291 1.00 0.00 C ATOM 1500 O PRO A 98 1.458 5.215 7.503 1.00 0.00 O ATOM 1501 CB PRO A 98 3.789 4.881 5.745 1.00 0.00 C ATOM 1502 CG PRO A 98 3.166 5.844 4.739 1.00 0.00 C ATOM 1503 CD PRO A 98 2.054 5.068 4.052 1.00 0.00 C ATOM 0 HA PRO A 98 3.163 2.844 6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.064 5.395 6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.698 4.428 5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.773 6.730 5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 98 3.907 6.187 4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.147 5.669 3.986 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.338 4.807 3.032 1.00 0.00 H new ATOM 1511 N HIS A 99 1.779 3.071 8.127 1.00 0.00 N ATOM 1512 CA HIS A 99 1.137 3.190 9.427 1.00 0.00 C ATOM 1513 C HIS A 99 2.149 3.745 10.418 1.00 0.00 C ATOM 1514 O HIS A 99 3.179 3.112 10.662 1.00 0.00 O ATOM 1515 CB HIS A 99 0.631 1.831 9.934 1.00 0.00 C ATOM 1516 CG HIS A 99 -0.126 1.923 11.245 1.00 0.00 C ATOM 1517 ND1 HIS A 99 -0.008 1.038 12.293 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.981 2.917 11.654 1.00 0.00 C ATOM 1519 CE1 HIS A 99 -0.795 1.468 13.292 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -1.420 2.603 12.939 1.00 0.00 N ATOM 0 H HIS A 99 2.094 2.125 7.913 1.00 0.00 H new ATOM 0 HA HIS A 99 0.278 3.855 9.330 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -0.018 1.388 9.178 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.480 1.159 10.059 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.263 3.788 11.081 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.909 0.972 14.244 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.086 3.132 13.502 1.00 0.00 H new ATOM 1528 N VAL A 100 1.813 4.871 11.041 1.00 0.00 N ATOM 1529 CA VAL A 100 2.627 5.524 12.061 1.00 0.00 C ATOM 1530 C VAL A 100 1.844 5.613 13.380 1.00 0.00 C ATOM 1531 O VAL A 100 1.950 6.597 14.110 1.00 0.00 O ATOM 1532 CB VAL A 100 3.107 6.888 11.516 1.00 0.00 C ATOM 1533 CG1 VAL A 100 4.078 6.704 10.338 1.00 0.00 C ATOM 1534 CG2 VAL A 100 1.934 7.772 11.065 1.00 0.00 C ATOM 0 H VAL A 100 0.944 5.367 10.845 1.00 0.00 H new ATOM 0 HA VAL A 100 3.520 4.942 12.289 1.00 0.00 H new ATOM 0 HB VAL A 100 3.622 7.385 12.338 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.399 7.680 9.975 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.948 6.136 10.669 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.577 6.165 9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.317 8.721 10.689 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.380 7.266 10.275 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.272 7.957 11.911 1.00 0.00 H new ATOM 1544 N GLY A 101 1.082 4.564 13.715 1.00 0.00 N ATOM 1545 CA GLY A 101 0.303 4.499 14.943 1.00 0.00 C ATOM 1546 C GLY A 101 -0.712 5.635 15.056 1.00 0.00 C ATOM 1547 O GLY A 101 -0.783 6.287 16.100 1.00 0.00 O ATOM 0 H GLY A 101 0.993 3.732 13.131 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.220 3.544 14.987 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.977 4.533 15.799 1.00 0.00 H new ATOM 1551 N GLU A 102 -1.469 5.873 13.981 1.00 0.00 N ATOM 1552 CA GLU A 102 -2.625 6.765 13.950 1.00 0.00 C ATOM 1553 C GLU A 102 -3.735 6.107 14.769 1.00 0.00 C ATOM 1554 O GLU A 102 -3.654 6.111 15.995 1.00 0.00 O ATOM 1555 CB GLU A 102 -2.982 7.040 12.469 1.00 0.00 C ATOM 1556 CG GLU A 102 -2.329 8.314 11.908 1.00 0.00 C ATOM 1557 CD GLU A 102 -3.057 9.613 12.276 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -4.287 9.601 12.507 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -2.382 10.669 12.306 1.00 0.00 O ATOM 0 H GLU A 102 -1.285 5.434 13.079 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.438 7.740 14.401 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.674 6.187 11.865 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.065 7.124 12.374 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.303 8.372 12.271 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.279 8.234 10.822 1.00 0.00 H new ATOM 1566 N THR A 103 -4.716 5.478 14.130 1.00 0.00 N ATOM 1567 CA THR A 103 -5.807 4.795 14.789 1.00 0.00 C ATOM 1568 C THR A 103 -6.489 3.938 13.719 1.00 0.00 C ATOM 1569 O THR A 103 -7.127 4.476 12.808 1.00 0.00 O ATOM 1570 CB THR A 103 -6.745 5.814 15.477 1.00 0.00 C ATOM 1571 OG1 THR A 103 -6.371 6.012 16.826 1.00 0.00 O ATOM 1572 CG2 THR A 103 -8.205 5.390 15.535 1.00 0.00 C ATOM 0 H THR A 103 -4.769 5.432 13.112 1.00 0.00 H new ATOM 0 HA THR A 103 -5.469 4.145 15.596 1.00 0.00 H new ATOM 0 HB THR A 103 -6.646 6.709 14.863 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.396 6.091 16.887 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.789 6.164 16.034 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.583 5.246 14.523 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.291 4.456 16.090 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.333 2.609 13.758 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.129 1.744 12.917 1.00 0.00 C ATOM 1582 C PRO A 104 -8.567 1.663 13.403 1.00 0.00 C ATOM 1583 O PRO A 104 -8.837 1.624 14.608 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.453 0.382 12.949 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.562 0.396 14.191 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.326 1.874 14.499 1.00 0.00 C ATOM 0 HA PRO A 104 -7.183 2.130 11.899 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.189 -0.420 13.003 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.865 0.215 12.046 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.045 -0.108 15.028 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.621 -0.123 14.007 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.412 2.067 15.568 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.323 2.178 14.200 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.488 1.561 12.449 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.879 1.236 12.719 1.00 0.00 C ATOM 1596 C ILE A 105 -11.034 -0.284 12.887 1.00 0.00 C ATOM 1597 O ILE A 105 -11.757 -0.707 13.792 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.832 1.857 11.670 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.472 1.604 10.183 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -12.034 3.359 11.953 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.492 2.600 9.544 1.00 0.00 C ATOM 0 H ILE A 105 -9.285 1.703 11.460 1.00 0.00 H new ATOM 0 HA ILE A 105 -11.179 1.691 13.663 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.772 1.320 11.798 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.048 0.604 10.099 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.394 1.609 9.601 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.707 3.783 11.207 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.466 3.487 12.946 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.073 3.870 11.907 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.316 2.322 8.505 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -10.915 3.604 9.584 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.548 2.582 10.089 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.321 -1.105 12.105 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.340 -2.570 12.173 1.00 0.00 C ATOM 1615 C ALA A 106 -9.004 -3.132 11.674 1.00 0.00 C ATOM 1616 O ALA A 106 -8.045 -2.377 11.528 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.524 -3.102 11.349 1.00 0.00 C ATOM 0 H ALA A 106 -9.693 -0.754 11.382 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.470 -2.895 13.205 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.541 -4.191 11.397 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.456 -2.706 11.753 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.416 -2.787 10.311 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.919 -4.445 11.437 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.749 -5.126 10.877 1.00 0.00 C ATOM 1625 C TYR A 107 -8.193 -6.047 9.740 1.00 0.00 C ATOM 1626 O TYR A 107 -9.210 -6.740 9.854 1.00 0.00 O ATOM 1627 CB TYR A 107 -7.003 -5.917 11.964 1.00 0.00 C ATOM 1628 CG TYR A 107 -5.842 -5.159 12.576 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.082 -4.034 13.385 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.518 -5.561 12.313 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.009 -3.311 13.931 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.439 -4.848 12.860 1.00 0.00 C ATOM 1633 CZ TYR A 107 -3.683 -3.731 13.686 1.00 0.00 C ATOM 1634 OH TYR A 107 -2.637 -3.039 14.208 1.00 0.00 O ATOM 0 H TYR A 107 -9.689 -5.084 11.637 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.059 -4.381 10.482 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.706 -6.187 12.752 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.633 -6.848 11.535 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.097 -3.724 13.587 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.332 -6.422 11.688 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.197 -2.437 14.536 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.425 -5.154 12.649 1.00 0.00 H new ATOM 0 HH TYR A 107 -1.796 -3.466 13.941 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.426 -6.077 8.651 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.686 -6.829 7.428 1.00 0.00 C ATOM 1646 C ARG A 108 -6.500 -7.745 7.187 1.00 0.00 C ATOM 1647 O ARG A 108 -5.375 -7.282 6.966 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.893 -5.882 6.247 1.00 0.00 C ATOM 1649 CG ARG A 108 -9.369 -5.591 5.915 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.933 -6.713 5.038 1.00 0.00 C ATOM 1651 NE ARG A 108 -11.202 -6.357 4.388 1.00 0.00 N ATOM 1652 CZ ARG A 108 -11.938 -7.206 3.659 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -11.552 -8.463 3.463 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -13.077 -6.797 3.112 1.00 0.00 N ATOM 0 H ARG A 108 -6.557 -5.546 8.597 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.598 -7.417 7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.389 -4.939 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.413 -6.309 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.949 -5.509 6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -9.454 -4.635 5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.200 -6.971 4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.082 -7.603 5.649 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.544 -5.403 4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.679 -8.798 3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.128 -9.092 2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.391 -5.836 3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.637 -7.444 2.557 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.761 -9.042 7.261 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.756 -10.059 6.971 1.00 0.00 C ATOM 1670 C ASN A 109 -5.615 -10.227 5.467 1.00 0.00 C ATOM 1671 O ASN A 109 -6.574 -10.017 4.717 1.00 0.00 O ATOM 1672 CB ASN A 109 -6.103 -11.437 7.556 1.00 0.00 C ATOM 1673 CG ASN A 109 -6.420 -11.447 9.036 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -5.984 -10.603 9.807 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -7.231 -12.400 9.466 1.00 0.00 N ATOM 0 H ASN A 109 -7.672 -9.420 7.523 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.832 -9.710 7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.959 -11.839 7.014 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.266 -12.112 7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -7.499 -12.436 10.450 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.588 -13.098 8.814 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.451 -10.711 5.049 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.117 -11.126 3.698 1.00 0.00 C ATOM 1684 C VAL A 110 -3.188 -12.338 3.792 1.00 0.00 C ATOM 1685 O VAL A 110 -2.613 -12.581 4.849 1.00 0.00 O ATOM 1686 CB VAL A 110 -3.431 -9.972 2.936 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -4.434 -8.885 2.554 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -2.262 -9.316 3.689 1.00 0.00 C ATOM 0 H VAL A 110 -3.666 -10.830 5.690 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.021 -11.391 3.150 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.018 -10.446 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.919 -8.087 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.207 -9.311 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -4.893 -8.480 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.840 -8.517 3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.622 -8.903 4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.494 -10.063 3.890 1.00 0.00 H new ATOM 1698 N LEU A 111 -2.964 -13.067 2.698 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.771 -13.912 2.580 1.00 0.00 C ATOM 1700 C LEU A 111 -0.752 -13.233 1.658 1.00 0.00 C ATOM 1701 O LEU A 111 -1.105 -12.397 0.820 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.129 -15.266 1.919 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.901 -16.364 2.669 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -2.058 -17.020 3.758 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -4.255 -15.896 3.201 1.00 0.00 C ATOM 0 H LEU A 111 -3.584 -13.091 1.888 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.370 -14.065 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.704 -15.035 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.191 -15.712 1.589 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.120 -17.129 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.646 -17.789 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.174 -17.474 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.751 -16.267 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.747 -16.719 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.107 -15.068 3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.878 -15.567 2.370 1.00 0.00 H new ATOM 1717 N LEU A 112 0.495 -13.702 1.717 1.00 0.00 N ATOM 1718 CA LEU A 112 1.602 -13.391 0.820 1.00 0.00 C ATOM 1719 C LEU A 112 2.215 -14.711 0.354 1.00 0.00 C ATOM 1720 O LEU A 112 2.314 -15.651 1.149 1.00 0.00 O ATOM 1721 CB LEU A 112 2.662 -12.554 1.568 1.00 0.00 C ATOM 1722 CG LEU A 112 3.131 -11.305 0.797 1.00 0.00 C ATOM 1723 CD1 LEU A 112 4.237 -10.603 1.585 1.00 0.00 C ATOM 1724 CD2 LEU A 112 3.664 -11.601 -0.614 1.00 0.00 C ATOM 0 H LEU A 112 0.775 -14.357 2.447 1.00 0.00 H new ATOM 0 HA LEU A 112 1.248 -12.815 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.253 -12.243 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.526 -13.184 1.778 1.00 0.00 H new ATOM 0 HG LEU A 112 2.247 -10.677 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.568 -9.720 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.855 -10.304 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.078 -11.284 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.973 -10.670 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.518 -12.275 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.879 -12.068 -1.209 1.00 0.00 H new ATOM 1736 N ARG A 113 2.665 -14.801 -0.904 1.00 0.00 N ATOM 1737 CA ARG A 113 3.423 -15.956 -1.376 1.00 0.00 C ATOM 1738 C ARG A 113 4.648 -16.133 -0.483 1.00 0.00 C ATOM 1739 O ARG A 113 5.268 -15.129 -0.112 1.00 0.00 O ATOM 1740 CB ARG A 113 3.931 -15.739 -2.815 1.00 0.00 C ATOM 1741 CG ARG A 113 2.882 -15.650 -3.935 1.00 0.00 C ATOM 1742 CD ARG A 113 2.883 -14.268 -4.607 1.00 0.00 C ATOM 1743 NE ARG A 113 2.115 -14.282 -5.863 1.00 0.00 N ATOM 1744 CZ ARG A 113 2.397 -13.669 -7.018 1.00 0.00 C ATOM 1745 NH1 ARG A 113 3.488 -12.931 -7.175 1.00 0.00 N ATOM 1746 NH2 ARG A 113 1.561 -13.771 -8.040 1.00 0.00 N ATOM 0 H ARG A 113 2.514 -14.082 -1.612 1.00 0.00 H new ATOM 0 HA ARG A 113 2.768 -16.827 -1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.516 -14.820 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.612 -16.555 -3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 113 3.082 -16.418 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.893 -15.854 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 113 2.458 -13.530 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 113 3.909 -13.961 -4.809 1.00 0.00 H new ATOM 0 HE ARG A 113 1.255 -14.831 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 113 4.143 -12.817 -6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 113 3.672 -12.477 -8.070 1.00 0.00 H new ATOM 0 HH21 ARG A 113 0.704 -14.316 -7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.774 -13.304 -8.922 1.00 0.00 H new