USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 731 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 70 ASN : amide:sc= -0.744 K(o=-0.68,f=-3.9!) USER MOD Set 1.2: A 82 TYR OH : rot -75:sc= 0.061 USER MOD Set 2.1: A 22 HIS : no HD1:sc= -0.432 K(o=-0.93,f=-1.8) USER MOD Set 2.2: A 45 MET CE :methyl -137:sc= -0.501 (180deg=-5.13!) USER MOD Set 3.1: A 40 HIS : no HD1:sc= 0 X(o=-0.067,f=-0.088) USER MOD Set 3.2: A 44 THR OG1 : rot 180:sc= -0.0673 USER MOD Single : A 3 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.8) USER MOD Single : A 5 LYS NZ :NH3+ -146:sc= -0.43 (180deg=-1.73!) USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0279) USER MOD Single : A 19 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0101) USER MOD Single : A 26 MET CE :methyl -159:sc= -2.09 (180deg=-2.56!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0638 USER MOD Single : A 43 SER OG : rot 85:sc= 0.00737 USER MOD Single : A 47 ASN : amide:sc= -0.1 X(o=-0.1,f=0.082) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -87:sc= 0.824 USER MOD Single : A 72 THR OG1 : rot 72:sc= 0.241 USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= -0.465 (180deg=-0.653) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00793 USER MOD Single : A 94 SER OG : rot 180:sc=-0.00483 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0327 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -10.588 9.501 4.555 1.00 0.00 N ATOM 21 CA VAL A 2 -9.146 9.746 4.480 1.00 0.00 C ATOM 22 C VAL A 2 -8.623 9.530 3.060 1.00 0.00 C ATOM 23 O VAL A 2 -8.459 8.393 2.615 1.00 0.00 O ATOM 24 CB VAL A 2 -8.351 8.845 5.456 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.560 9.298 6.892 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.735 7.380 5.289 1.00 0.00 C ATOM 0 HA VAL A 2 -8.995 10.786 4.769 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.292 8.941 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.993 8.653 7.563 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.217 10.327 7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.620 9.240 7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.161 6.771 5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.799 7.257 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.520 7.062 4.269 1.00 0.00 H new ATOM 36 N ASN A 3 -8.368 10.630 2.353 1.00 0.00 N ATOM 37 CA ASN A 3 -7.867 10.568 0.980 1.00 0.00 C ATOM 38 C ASN A 3 -6.348 10.397 0.960 1.00 0.00 C ATOM 39 O ASN A 3 -5.611 11.320 1.311 1.00 0.00 O ATOM 40 CB ASN A 3 -8.254 11.838 0.212 1.00 0.00 C ATOM 41 CG ASN A 3 -9.754 12.083 0.194 1.00 0.00 C ATOM 42 OD1 ASN A 3 -10.381 12.241 1.241 1.00 0.00 O ATOM 43 ND2 ASN A 3 -10.339 12.116 -1.000 1.00 0.00 N ATOM 0 H ASN A 3 -8.500 11.577 2.709 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.322 9.704 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.756 12.696 0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.891 11.762 -0.813 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.344 12.277 -1.071 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.783 11.980 -1.844 1.00 0.00 H new ATOM 50 N VAL A 4 -5.886 9.214 0.546 1.00 0.00 N ATOM 51 CA VAL A 4 -4.451 8.928 0.481 1.00 0.00 C ATOM 52 C VAL A 4 -4.000 8.652 -0.956 1.00 0.00 C ATOM 53 O VAL A 4 -4.691 7.964 -1.710 1.00 0.00 O ATOM 54 CB VAL A 4 -4.071 7.719 1.366 1.00 0.00 C ATOM 55 CG1 VAL A 4 -4.154 8.078 2.844 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.955 6.518 1.053 1.00 0.00 C ATOM 0 H VAL A 4 -6.483 8.441 0.252 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.942 9.817 0.854 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.039 7.450 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.882 7.210 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.468 8.898 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.172 8.383 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.668 5.680 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.998 6.775 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.832 6.239 0.007 1.00 0.00 H new ATOM 66 N LYS A 5 -2.835 9.190 -1.323 1.00 0.00 N ATOM 67 CA LYS A 5 -2.282 9.002 -2.665 1.00 0.00 C ATOM 68 C LYS A 5 -1.191 7.930 -2.657 1.00 0.00 C ATOM 69 O LYS A 5 -0.154 8.092 -2.011 1.00 0.00 O ATOM 70 CB LYS A 5 -1.713 10.323 -3.196 1.00 0.00 C ATOM 71 CG LYS A 5 -1.303 10.271 -4.662 1.00 0.00 C ATOM 72 CD LYS A 5 -1.660 11.559 -5.393 1.00 0.00 C ATOM 73 CE LYS A 5 -0.426 12.251 -5.955 1.00 0.00 C ATOM 74 NZ LYS A 5 0.414 12.861 -4.884 1.00 0.00 N ATOM 0 H LYS A 5 -2.255 9.761 -0.708 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.087 8.672 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.458 11.108 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.847 10.602 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.229 10.098 -4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.795 9.428 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.353 11.336 -6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.176 12.234 -4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.169 11.530 -6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.734 13.025 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.852 13.734 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.181 13.084 -4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.158 12.191 -4.602 1.00 0.00 H new ATOM 88 N VAL A 6 -1.433 6.837 -3.380 1.00 0.00 N ATOM 89 CA VAL A 6 -0.474 5.734 -3.460 1.00 0.00 C ATOM 90 C VAL A 6 0.158 5.659 -4.846 1.00 0.00 C ATOM 91 O VAL A 6 -0.500 5.929 -5.851 1.00 0.00 O ATOM 92 CB VAL A 6 -1.142 4.378 -3.150 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.099 3.277 -3.010 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.998 4.471 -1.894 1.00 0.00 C ATOM 0 H VAL A 6 -2.286 6.691 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 6 0.295 5.933 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.792 4.124 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.595 2.331 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.461 3.186 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.584 3.524 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.459 3.503 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.373 4.756 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.776 5.221 -2.039 1.00 0.00 H new ATOM 104 N GLU A 7 1.433 5.280 -4.895 1.00 0.00 N ATOM 105 CA GLU A 7 2.148 5.158 -6.161 1.00 0.00 C ATOM 106 C GLU A 7 2.806 3.784 -6.286 1.00 0.00 C ATOM 107 O GLU A 7 3.864 3.538 -5.705 1.00 0.00 O ATOM 108 CB GLU A 7 3.208 6.257 -6.287 1.00 0.00 C ATOM 109 CG GLU A 7 2.674 7.554 -6.875 1.00 0.00 C ATOM 110 CD GLU A 7 3.651 8.215 -7.830 1.00 0.00 C ATOM 111 OE1 GLU A 7 4.843 8.339 -7.474 1.00 0.00 O ATOM 112 OE2 GLU A 7 3.223 8.611 -8.935 1.00 0.00 O ATOM 0 H GLU A 7 1.991 5.052 -4.072 1.00 0.00 H new ATOM 0 HA GLU A 7 1.423 5.270 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.627 6.460 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.024 5.893 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.741 7.352 -7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.441 8.245 -6.065 1.00 0.00 H new ATOM 119 N PHE A 8 2.174 2.896 -7.051 1.00 0.00 N ATOM 120 CA PHE A 8 2.695 1.547 -7.263 1.00 0.00 C ATOM 121 C PHE A 8 3.661 1.518 -8.443 1.00 0.00 C ATOM 122 O PHE A 8 3.306 1.914 -9.554 1.00 0.00 O ATOM 123 CB PHE A 8 1.547 0.566 -7.513 1.00 0.00 C ATOM 124 CG PHE A 8 0.744 0.239 -6.286 1.00 0.00 C ATOM 125 CD1 PHE A 8 -0.344 1.017 -5.921 1.00 0.00 C ATOM 126 CD2 PHE A 8 1.075 -0.852 -5.501 1.00 0.00 C ATOM 127 CE1 PHE A 8 -1.087 0.709 -4.797 1.00 0.00 C ATOM 128 CE2 PHE A 8 0.338 -1.163 -4.376 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.745 -0.382 -4.023 1.00 0.00 C ATOM 0 H PHE A 8 1.297 3.087 -7.536 1.00 0.00 H new ATOM 0 HA PHE A 8 3.233 1.248 -6.363 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.882 0.985 -8.268 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.955 -0.357 -7.924 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.614 1.873 -6.522 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.920 -1.467 -5.772 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.934 1.321 -4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.608 -2.017 -3.772 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.323 -0.624 -3.143 1.00 0.00 H new ATOM 139 N LEU A 9 4.883 1.049 -8.194 1.00 0.00 N ATOM 140 CA LEU A 9 5.904 0.972 -9.239 1.00 0.00 C ATOM 141 C LEU A 9 6.777 -0.272 -9.080 1.00 0.00 C ATOM 142 O LEU A 9 6.741 -0.941 -8.046 1.00 0.00 O ATOM 143 CB LEU A 9 6.785 2.225 -9.211 1.00 0.00 C ATOM 144 CG LEU A 9 6.040 3.548 -9.405 1.00 0.00 C ATOM 145 CD1 LEU A 9 5.606 4.118 -8.064 1.00 0.00 C ATOM 146 CD2 LEU A 9 6.908 4.546 -10.154 1.00 0.00 C ATOM 0 H LEU A 9 5.190 0.717 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 9 5.390 0.907 -10.198 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.311 2.259 -8.257 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.542 2.135 -9.990 1.00 0.00 H new ATOM 0 HG LEU A 9 5.148 3.355 -10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.078 5.058 -8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.945 3.410 -7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.484 4.295 -7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.361 5.480 -10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.819 4.734 -9.586 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.167 4.141 -11.132 1.00 0.00 H new ATOM 158 N GLY A 10 7.567 -0.570 -10.113 1.00 0.00 N ATOM 159 CA GLY A 10 8.451 -1.726 -10.075 1.00 0.00 C ATOM 160 C GLY A 10 7.816 -2.995 -10.629 1.00 0.00 C ATOM 161 O GLY A 10 8.526 -3.929 -11.008 1.00 0.00 O ATOM 0 H GLY A 10 7.610 -0.030 -10.977 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.353 -1.502 -10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.760 -1.904 -9.045 1.00 0.00 H new ATOM 165 N GLY A 11 6.481 -3.034 -10.672 1.00 0.00 N ATOM 166 CA GLY A 11 5.783 -4.206 -11.180 1.00 0.00 C ATOM 167 C GLY A 11 4.326 -4.258 -10.744 1.00 0.00 C ATOM 168 O GLY A 11 3.466 -4.719 -11.497 1.00 0.00 O ATOM 0 H GLY A 11 5.873 -2.275 -10.364 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.832 -4.209 -12.269 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.293 -5.105 -10.835 1.00 0.00 H new ATOM 172 N LEU A 12 4.048 -3.786 -9.526 1.00 0.00 N ATOM 173 CA LEU A 12 2.685 -3.780 -8.986 1.00 0.00 C ATOM 174 C LEU A 12 1.710 -3.069 -9.927 1.00 0.00 C ATOM 175 O LEU A 12 0.563 -3.494 -10.071 1.00 0.00 O ATOM 176 CB LEU A 12 2.661 -3.111 -7.611 1.00 0.00 C ATOM 177 CG LEU A 12 2.861 -4.063 -6.430 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.762 -3.432 -5.377 1.00 0.00 C ATOM 179 CD2 LEU A 12 1.517 -4.456 -5.828 1.00 0.00 C ATOM 0 H LEU A 12 4.750 -3.402 -8.894 1.00 0.00 H new ATOM 0 HA LEU A 12 2.365 -4.817 -8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.439 -2.348 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.707 -2.598 -7.489 1.00 0.00 H new ATOM 0 HG LEU A 12 3.349 -4.967 -6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.891 -4.125 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.734 -3.208 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.307 -2.511 -5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.678 -5.133 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.000 -3.563 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.911 -4.954 -6.585 1.00 0.00 H new ATOM 191 N ASP A 13 2.172 -1.994 -10.570 1.00 0.00 N ATOM 192 CA ASP A 13 1.335 -1.239 -11.504 1.00 0.00 C ATOM 193 C ASP A 13 0.821 -2.138 -12.630 1.00 0.00 C ATOM 194 O ASP A 13 -0.313 -1.986 -13.084 1.00 0.00 O ATOM 195 CB ASP A 13 2.107 -0.054 -12.098 1.00 0.00 C ATOM 196 CG ASP A 13 3.472 -0.449 -12.630 1.00 0.00 C ATOM 197 OD1 ASP A 13 3.545 -0.928 -13.780 1.00 0.00 O ATOM 198 OD2 ASP A 13 4.467 -0.284 -11.895 1.00 0.00 O ATOM 0 H ASP A 13 3.118 -1.628 -10.461 1.00 0.00 H new ATOM 0 HA ASP A 13 0.482 -0.857 -10.944 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.522 0.388 -12.905 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.228 0.714 -11.334 1.00 0.00 H new ATOM 203 N ALA A 14 1.662 -3.075 -13.073 1.00 0.00 N ATOM 204 CA ALA A 14 1.287 -3.998 -14.143 1.00 0.00 C ATOM 205 C ALA A 14 0.225 -4.993 -13.677 1.00 0.00 C ATOM 206 O ALA A 14 -0.605 -5.441 -14.469 1.00 0.00 O ATOM 207 CB ALA A 14 2.511 -4.740 -14.664 1.00 0.00 C ATOM 0 H ALA A 14 2.604 -3.213 -12.708 1.00 0.00 H new ATOM 0 HA ALA A 14 0.861 -3.407 -14.954 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.212 -5.422 -15.460 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.233 -4.022 -15.054 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.966 -5.307 -13.852 1.00 0.00 H new ATOM 213 N ILE A 15 0.254 -5.335 -12.389 1.00 0.00 N ATOM 214 CA ILE A 15 -0.708 -6.278 -11.822 1.00 0.00 C ATOM 215 C ILE A 15 -2.089 -5.638 -11.675 1.00 0.00 C ATOM 216 O ILE A 15 -3.107 -6.267 -11.964 1.00 0.00 O ATOM 217 CB ILE A 15 -0.254 -6.801 -10.442 1.00 0.00 C ATOM 218 CG1 ILE A 15 1.198 -7.286 -10.493 1.00 0.00 C ATOM 219 CG2 ILE A 15 -1.172 -7.921 -9.978 1.00 0.00 C ATOM 220 CD1 ILE A 15 1.753 -7.678 -9.139 1.00 0.00 C ATOM 0 H ILE A 15 0.933 -4.973 -11.719 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.765 -7.115 -12.517 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.312 -5.980 -9.727 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.263 -8.142 -11.165 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.821 -6.499 -10.918 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.842 -8.282 -9.004 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.192 -7.546 -9.899 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.140 -8.739 -10.698 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.785 -8.011 -9.251 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.720 -6.818 -8.470 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.154 -8.487 -8.721 1.00 0.00 H new ATOM 232 N PHE A 16 -2.113 -4.387 -11.217 1.00 0.00 N ATOM 233 CA PHE A 16 -3.367 -3.662 -11.024 1.00 0.00 C ATOM 234 C PHE A 16 -4.027 -3.340 -12.366 1.00 0.00 C ATOM 235 O PHE A 16 -5.050 -3.928 -12.719 1.00 0.00 O ATOM 236 CB PHE A 16 -3.116 -2.369 -10.242 1.00 0.00 C ATOM 237 CG PHE A 16 -2.964 -2.569 -8.758 1.00 0.00 C ATOM 238 CD1 PHE A 16 -2.028 -3.458 -8.252 1.00 0.00 C ATOM 239 CD2 PHE A 16 -3.755 -1.859 -7.871 1.00 0.00 C ATOM 240 CE1 PHE A 16 -1.887 -3.636 -6.888 1.00 0.00 C ATOM 241 CE2 PHE A 16 -3.618 -2.032 -6.507 1.00 0.00 C ATOM 242 CZ PHE A 16 -2.684 -2.921 -6.015 1.00 0.00 C ATOM 0 H PHE A 16 -1.278 -3.855 -10.973 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.042 -4.300 -10.454 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.215 -1.893 -10.628 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.942 -1.681 -10.423 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.402 -4.018 -8.931 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.488 -1.162 -8.250 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.155 -4.333 -6.506 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.242 -1.472 -5.826 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.576 -3.058 -4.949 1.00 0.00 H new ATOM 252 N GLY A 17 -3.436 -2.401 -13.105 1.00 0.00 N ATOM 253 CA GLY A 17 -3.979 -2.011 -14.398 1.00 0.00 C ATOM 254 C GLY A 17 -3.254 -0.820 -15.002 1.00 0.00 C ATOM 255 O GLY A 17 -3.884 0.077 -15.563 1.00 0.00 O ATOM 0 H GLY A 17 -2.589 -1.903 -12.831 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.916 -2.856 -15.084 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.036 -1.769 -14.286 1.00 0.00 H new ATOM 259 N LYS A 18 -1.923 -0.815 -14.886 1.00 0.00 N ATOM 260 CA LYS A 18 -1.096 0.267 -15.418 1.00 0.00 C ATOM 261 C LYS A 18 -1.610 1.636 -14.964 1.00 0.00 C ATOM 262 O LYS A 18 -1.703 2.572 -15.760 1.00 0.00 O ATOM 263 CB LYS A 18 -1.049 0.198 -16.947 1.00 0.00 C ATOM 264 CG LYS A 18 -0.399 -1.070 -17.479 1.00 0.00 C ATOM 265 CD LYS A 18 -1.425 -2.169 -17.717 1.00 0.00 C ATOM 266 CE LYS A 18 -1.781 -2.292 -19.191 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.382 -1.036 -19.726 1.00 0.00 N ATOM 0 H LYS A 18 -1.394 -1.555 -14.424 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.087 0.141 -15.026 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.065 0.267 -17.337 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.503 1.062 -17.325 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.121 -0.849 -18.411 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.352 -1.420 -16.770 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.031 -3.119 -17.356 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.326 -1.958 -17.141 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.885 -2.537 -19.761 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.481 -3.116 -19.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.672 -1.183 -20.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.213 -0.778 -19.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.681 -0.269 -19.682 1.00 0.00 H new ATOM 281 N GLN A 19 -1.942 1.746 -13.677 1.00 0.00 N ATOM 282 CA GLN A 19 -2.445 2.999 -13.115 1.00 0.00 C ATOM 283 C GLN A 19 -1.307 3.853 -12.555 1.00 0.00 C ATOM 284 O GLN A 19 -1.382 5.083 -12.571 1.00 0.00 O ATOM 285 CB GLN A 19 -3.469 2.715 -12.011 1.00 0.00 C ATOM 286 CG GLN A 19 -4.771 2.118 -12.522 1.00 0.00 C ATOM 287 CD GLN A 19 -5.867 3.154 -12.698 1.00 0.00 C ATOM 288 OE1 GLN A 19 -5.776 4.268 -12.182 1.00 0.00 O ATOM 289 NE2 GLN A 19 -6.916 2.788 -13.427 1.00 0.00 N ATOM 0 H GLN A 19 -1.871 0.982 -13.005 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.927 3.554 -13.920 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.027 2.032 -11.285 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.688 3.643 -11.483 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.588 1.624 -13.476 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.111 1.351 -11.826 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.951 1.855 -13.837 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.686 3.440 -13.577 1.00 0.00 H new ATOM 298 N ARG A 20 -0.260 3.191 -12.054 1.00 0.00 N ATOM 299 CA ARG A 20 0.898 3.876 -11.477 1.00 0.00 C ATOM 300 C ARG A 20 0.548 4.488 -10.120 1.00 0.00 C ATOM 301 O ARG A 20 1.045 4.043 -9.088 1.00 0.00 O ATOM 302 CB ARG A 20 1.430 4.954 -12.430 1.00 0.00 C ATOM 303 CG ARG A 20 2.937 4.896 -12.632 1.00 0.00 C ATOM 304 CD ARG A 20 3.359 5.592 -13.916 1.00 0.00 C ATOM 305 NE ARG A 20 3.478 4.657 -15.037 1.00 0.00 N ATOM 306 CZ ARG A 20 3.445 5.022 -16.321 1.00 0.00 C ATOM 307 NH1 ARG A 20 3.300 6.301 -16.658 1.00 0.00 N ATOM 308 NH2 ARG A 20 3.559 4.105 -17.275 1.00 0.00 N ATOM 0 H ARG A 20 -0.192 2.173 -12.037 1.00 0.00 H new ATOM 0 HA ARG A 20 1.683 3.135 -11.328 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.938 4.848 -13.397 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.161 5.936 -12.041 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.436 5.364 -11.783 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.261 3.856 -12.659 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.631 6.365 -14.165 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.315 6.093 -13.759 1.00 0.00 H new ATOM 0 HE ARG A 20 3.593 3.666 -14.824 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.213 7.013 -15.933 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.276 6.570 -17.642 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.672 3.122 -17.027 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.534 4.384 -18.256 1.00 0.00 H new ATOM 322 N VAL A 21 -0.319 5.501 -10.126 1.00 0.00 N ATOM 323 CA VAL A 21 -0.739 6.161 -8.892 1.00 0.00 C ATOM 324 C VAL A 21 -2.245 5.992 -8.677 1.00 0.00 C ATOM 325 O VAL A 21 -3.050 6.341 -9.543 1.00 0.00 O ATOM 326 CB VAL A 21 -0.377 7.663 -8.903 1.00 0.00 C ATOM 327 CG1 VAL A 21 -1.050 8.372 -10.067 1.00 0.00 C ATOM 328 CG2 VAL A 21 -0.745 8.325 -7.579 1.00 0.00 C ATOM 0 H VAL A 21 -0.743 5.881 -10.972 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.204 5.687 -8.069 1.00 0.00 H new ATOM 0 HB VAL A 21 0.702 7.747 -9.032 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.781 9.428 -10.054 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.721 7.925 -11.005 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.132 8.272 -9.977 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.479 9.382 -7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.817 8.226 -7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.202 7.841 -6.767 1.00 0.00 H new ATOM 338 N HIS A 22 -2.618 5.443 -7.521 1.00 0.00 N ATOM 339 CA HIS A 22 -4.024 5.217 -7.198 1.00 0.00 C ATOM 340 C HIS A 22 -4.390 5.836 -5.848 1.00 0.00 C ATOM 341 O HIS A 22 -3.539 5.978 -4.968 1.00 0.00 O ATOM 342 CB HIS A 22 -4.323 3.715 -7.184 1.00 0.00 C ATOM 343 CG HIS A 22 -5.349 3.291 -8.192 1.00 0.00 C ATOM 344 ND1 HIS A 22 -6.375 4.110 -8.621 1.00 0.00 N ATOM 345 CD2 HIS A 22 -5.506 2.120 -8.853 1.00 0.00 C ATOM 346 CE1 HIS A 22 -7.116 3.460 -9.500 1.00 0.00 C ATOM 347 NE2 HIS A 22 -6.610 2.252 -9.658 1.00 0.00 N ATOM 0 H HIS A 22 -1.966 5.147 -6.794 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.629 5.699 -7.966 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.398 3.169 -7.369 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.667 3.432 -6.189 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.879 1.245 -8.764 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.988 3.851 -10.004 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.980 1.532 -10.279 1.00 0.00 H new ATOM 356 N LYS A 23 -5.665 6.199 -5.693 1.00 0.00 N ATOM 357 CA LYS A 23 -6.149 6.800 -4.451 1.00 0.00 C ATOM 358 C LYS A 23 -7.110 5.862 -3.724 1.00 0.00 C ATOM 359 O LYS A 23 -7.874 5.130 -4.355 1.00 0.00 O ATOM 360 CB LYS A 23 -6.844 8.132 -4.740 1.00 0.00 C ATOM 361 CG LYS A 23 -6.689 9.151 -3.622 1.00 0.00 C ATOM 362 CD LYS A 23 -7.503 10.405 -3.895 1.00 0.00 C ATOM 363 CE LYS A 23 -6.723 11.663 -3.548 1.00 0.00 C ATOM 364 NZ LYS A 23 -7.122 12.817 -4.401 1.00 0.00 N ATOM 0 H LYS A 23 -6.380 6.087 -6.412 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.287 6.977 -3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.440 8.551 -5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.905 7.950 -4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.007 8.708 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.637 9.415 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.790 10.432 -4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.425 10.375 -3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.885 11.913 -2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.656 11.474 -3.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.567 13.655 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.943 12.589 -5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.134 13.014 -4.267 1.00 0.00 H new ATOM 378 N ILE A 24 -7.064 5.892 -2.393 1.00 0.00 N ATOM 379 CA ILE A 24 -7.926 5.046 -1.571 1.00 0.00 C ATOM 380 C ILE A 24 -8.477 5.820 -0.374 1.00 0.00 C ATOM 381 O ILE A 24 -7.819 6.722 0.149 1.00 0.00 O ATOM 382 CB ILE A 24 -7.167 3.800 -1.062 1.00 0.00 C ATOM 383 CG1 ILE A 24 -6.423 3.119 -2.215 1.00 0.00 C ATOM 384 CG2 ILE A 24 -8.125 2.822 -0.392 1.00 0.00 C ATOM 385 CD1 ILE A 24 -5.485 2.019 -1.770 1.00 0.00 C ATOM 0 H ILE A 24 -6.437 6.495 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.754 4.725 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.436 4.123 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.152 2.703 -2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.854 3.870 -2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.570 1.952 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.609 3.309 0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.882 2.504 -1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.995 1.584 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.732 2.432 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.051 1.247 -1.249 1.00 0.00 H new ATOM 397 N LYS A 25 -9.686 5.459 0.055 1.00 0.00 N ATOM 398 CA LYS A 25 -10.326 6.112 1.193 1.00 0.00 C ATOM 399 C LYS A 25 -10.935 5.080 2.144 1.00 0.00 C ATOM 400 O LYS A 25 -11.944 4.446 1.827 1.00 0.00 O ATOM 401 CB LYS A 25 -11.401 7.096 0.709 1.00 0.00 C ATOM 402 CG LYS A 25 -12.424 6.484 -0.240 1.00 0.00 C ATOM 403 CD LYS A 25 -12.544 7.283 -1.531 1.00 0.00 C ATOM 404 CE LYS A 25 -13.991 7.396 -1.992 1.00 0.00 C ATOM 405 NZ LYS A 25 -14.591 6.065 -2.303 1.00 0.00 N ATOM 0 H LYS A 25 -10.241 4.717 -0.370 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.564 6.668 1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.923 7.502 1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.913 7.933 0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.137 5.458 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.396 6.439 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.131 8.281 -1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.950 6.806 -2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.580 7.886 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.040 8.030 -2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.565 6.194 -2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.026 5.593 -3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.601 5.479 -1.444 1.00 0.00 H new ATOM 419 N MET A 26 -10.310 4.912 3.313 1.00 0.00 N ATOM 420 CA MET A 26 -10.787 3.954 4.312 1.00 0.00 C ATOM 421 C MET A 26 -12.033 4.479 5.024 1.00 0.00 C ATOM 422 O MET A 26 -12.297 5.684 5.030 1.00 0.00 O ATOM 423 CB MET A 26 -9.689 3.651 5.337 1.00 0.00 C ATOM 424 CG MET A 26 -9.167 2.224 5.267 1.00 0.00 C ATOM 425 SD MET A 26 -10.237 1.049 6.120 1.00 0.00 S ATOM 426 CE MET A 26 -9.454 -0.502 5.684 1.00 0.00 C ATOM 0 H MET A 26 -9.474 5.427 3.590 1.00 0.00 H new ATOM 0 HA MET A 26 -11.048 3.033 3.791 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.859 4.340 5.182 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.077 3.838 6.338 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.069 1.928 4.223 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.169 2.185 5.704 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.169 -1.316 5.803 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.119 -0.462 4.648 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.597 -0.673 6.336 1.00 0.00 H new ATOM 436 N ASP A 27 -12.798 3.563 5.619 1.00 0.00 N ATOM 437 CA ASP A 27 -14.020 3.927 6.328 1.00 0.00 C ATOM 438 C ASP A 27 -14.062 3.288 7.717 1.00 0.00 C ATOM 439 O ASP A 27 -14.511 2.151 7.875 1.00 0.00 O ATOM 440 CB ASP A 27 -15.241 3.501 5.508 1.00 0.00 C ATOM 441 CG ASP A 27 -15.496 4.427 4.334 1.00 0.00 C ATOM 442 OD1 ASP A 27 -14.878 4.220 3.268 1.00 0.00 O ATOM 443 OD2 ASP A 27 -16.310 5.362 4.482 1.00 0.00 O ATOM 0 H ASP A 27 -12.591 2.564 5.623 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.035 5.009 6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.094 2.485 5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.120 3.483 6.152 1.00 0.00 H new ATOM 448 N LYS A 28 -13.590 4.029 8.722 1.00 0.00 N ATOM 449 CA LYS A 28 -13.571 3.540 10.100 1.00 0.00 C ATOM 450 C LYS A 28 -13.399 4.689 11.093 1.00 0.00 C ATOM 451 O LYS A 28 -14.313 5.004 11.856 1.00 0.00 O ATOM 452 CB LYS A 28 -12.451 2.507 10.283 1.00 0.00 C ATOM 453 CG LYS A 28 -12.385 1.916 11.685 1.00 0.00 C ATOM 454 CD LYS A 28 -11.032 1.276 11.959 1.00 0.00 C ATOM 455 CE LYS A 28 -11.009 -0.188 11.544 1.00 0.00 C ATOM 456 NZ LYS A 28 -10.336 -1.050 12.558 1.00 0.00 N ATOM 0 H LYS A 28 -13.216 4.971 8.606 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.530 3.062 10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.593 1.700 9.564 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.495 2.976 10.051 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.574 2.699 12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.172 1.171 11.804 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.256 1.820 11.420 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.799 1.357 13.021 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.030 -0.537 11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.494 -0.285 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.344 -2.038 12.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.353 -0.735 12.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.841 -0.979 13.464 1.00 0.00 H new ATOM 470 N GLU A 29 -12.221 5.307 11.078 1.00 0.00 N ATOM 471 CA GLU A 29 -11.915 6.420 11.976 1.00 0.00 C ATOM 472 C GLU A 29 -10.912 7.378 11.331 1.00 0.00 C ATOM 473 O GLU A 29 -10.532 7.202 10.173 1.00 0.00 O ATOM 474 CB GLU A 29 -11.351 5.889 13.298 1.00 0.00 C ATOM 475 CG GLU A 29 -11.799 6.677 14.520 1.00 0.00 C ATOM 476 CD GLU A 29 -12.819 5.929 15.356 1.00 0.00 C ATOM 477 OE1 GLU A 29 -12.419 4.996 16.085 1.00 0.00 O ATOM 478 OE2 GLU A 29 -14.016 6.275 15.281 1.00 0.00 O ATOM 0 H GLU A 29 -11.458 5.055 10.450 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.838 6.965 12.172 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.652 4.848 13.418 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.262 5.902 13.249 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.930 6.909 15.136 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.225 7.627 14.198 1.00 0.00 H new ATOM 485 N ASP A 30 -10.483 8.389 12.088 1.00 0.00 N ATOM 486 CA ASP A 30 -9.518 9.363 11.582 1.00 0.00 C ATOM 487 C ASP A 30 -8.089 8.825 11.694 1.00 0.00 C ATOM 488 O ASP A 30 -7.387 8.716 10.689 1.00 0.00 O ATOM 489 CB ASP A 30 -9.647 10.697 12.326 1.00 0.00 C ATOM 490 CG ASP A 30 -10.543 11.683 11.598 1.00 0.00 C ATOM 491 OD1 ASP A 30 -10.108 12.229 10.562 1.00 0.00 O ATOM 492 OD2 ASP A 30 -11.679 11.910 12.065 1.00 0.00 O ATOM 0 H ASP A 30 -10.787 8.553 13.048 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.738 9.535 10.528 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.046 10.516 13.324 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.657 11.136 12.454 1.00 0.00 H new ATOM 497 N PRO A 31 -7.633 8.476 12.917 1.00 0.00 N ATOM 498 CA PRO A 31 -6.280 7.947 13.133 1.00 0.00 C ATOM 499 C PRO A 31 -6.142 6.482 12.704 1.00 0.00 C ATOM 500 O PRO A 31 -5.797 5.615 13.509 1.00 0.00 O ATOM 501 CB PRO A 31 -6.092 8.096 14.643 1.00 0.00 C ATOM 502 CG PRO A 31 -7.466 7.967 15.204 1.00 0.00 C ATOM 503 CD PRO A 31 -8.395 8.568 14.182 1.00 0.00 C ATOM 0 HA PRO A 31 -5.532 8.473 12.541 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.428 7.327 15.038 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.649 9.060 14.895 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.714 6.922 15.389 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.547 8.488 16.158 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.335 8.019 14.124 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.643 9.601 14.425 1.00 0.00 H new ATOM 511 N VAL A 32 -6.409 6.218 11.424 1.00 0.00 N ATOM 512 CA VAL A 32 -6.311 4.866 10.873 1.00 0.00 C ATOM 513 C VAL A 32 -4.851 4.456 10.697 1.00 0.00 C ATOM 514 O VAL A 32 -4.013 5.277 10.328 1.00 0.00 O ATOM 515 CB VAL A 32 -7.029 4.764 9.509 1.00 0.00 C ATOM 516 CG1 VAL A 32 -6.994 3.337 8.988 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.462 5.262 9.618 1.00 0.00 C ATOM 0 H VAL A 32 -6.696 6.926 10.748 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.795 4.194 11.582 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.501 5.399 8.798 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.505 3.288 8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.958 3.020 8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.493 2.678 9.698 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.950 5.182 8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.003 4.658 10.347 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.462 6.304 9.939 1.00 0.00 H new ATOM 527 N THR A 33 -4.553 3.183 10.952 1.00 0.00 N ATOM 528 CA THR A 33 -3.189 2.675 10.806 1.00 0.00 C ATOM 529 C THR A 33 -2.905 2.313 9.352 1.00 0.00 C ATOM 530 O THR A 33 -3.816 1.962 8.601 1.00 0.00 O ATOM 531 CB THR A 33 -2.949 1.456 11.708 1.00 0.00 C ATOM 532 OG1 THR A 33 -4.174 0.895 12.158 1.00 0.00 O ATOM 533 CG2 THR A 33 -2.104 1.777 12.924 1.00 0.00 C ATOM 0 H THR A 33 -5.233 2.488 11.259 1.00 0.00 H new ATOM 0 HA THR A 33 -2.506 3.467 11.114 1.00 0.00 H new ATOM 0 HB THR A 33 -2.410 0.742 11.086 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.989 0.120 12.728 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.970 0.876 13.522 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.131 2.148 12.603 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.603 2.539 13.523 1.00 0.00 H new ATOM 541 N VAL A 34 -1.636 2.410 8.960 1.00 0.00 N ATOM 542 CA VAL A 34 -1.227 2.100 7.590 1.00 0.00 C ATOM 543 C VAL A 34 -1.652 0.690 7.179 1.00 0.00 C ATOM 544 O VAL A 34 -1.969 0.448 6.014 1.00 0.00 O ATOM 545 CB VAL A 34 0.294 2.261 7.411 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.059 1.224 8.218 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.676 2.197 5.938 1.00 0.00 C ATOM 0 H VAL A 34 -0.873 2.701 9.571 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.734 2.814 6.940 1.00 0.00 H new ATOM 0 HB VAL A 34 0.571 3.244 7.791 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.130 1.365 8.070 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.821 1.338 9.276 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.776 0.225 7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.755 2.313 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.374 1.234 5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.172 2.998 5.396 1.00 0.00 H new ATOM 557 N GLY A 35 -1.678 -0.230 8.146 1.00 0.00 N ATOM 558 CA GLY A 35 -2.093 -1.591 7.863 1.00 0.00 C ATOM 559 C GLY A 35 -3.521 -1.657 7.350 1.00 0.00 C ATOM 560 O GLY A 35 -3.883 -2.582 6.622 1.00 0.00 O ATOM 0 H GLY A 35 -1.419 -0.054 9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.422 -2.028 7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.005 -2.192 8.768 1.00 0.00 H new ATOM 564 N ASP A 36 -4.331 -0.659 7.722 1.00 0.00 N ATOM 565 CA ASP A 36 -5.725 -0.597 7.287 1.00 0.00 C ATOM 566 C ASP A 36 -5.808 -0.290 5.792 1.00 0.00 C ATOM 567 O ASP A 36 -6.609 -0.885 5.071 1.00 0.00 O ATOM 568 CB ASP A 36 -6.499 0.454 8.099 1.00 0.00 C ATOM 569 CG ASP A 36 -7.754 -0.110 8.748 1.00 0.00 C ATOM 570 OD1 ASP A 36 -7.796 -1.329 9.015 1.00 0.00 O ATOM 571 OD2 ASP A 36 -8.697 0.672 8.990 1.00 0.00 O ATOM 0 H ASP A 36 -4.043 0.114 8.322 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.183 -1.570 7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.847 0.862 8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.774 1.282 7.445 1.00 0.00 H new ATOM 576 N LEU A 37 -4.957 0.629 5.332 1.00 0.00 N ATOM 577 CA LEU A 37 -4.914 1.002 3.920 1.00 0.00 C ATOM 578 C LEU A 37 -4.571 -0.213 3.061 1.00 0.00 C ATOM 579 O LEU A 37 -5.237 -0.485 2.061 1.00 0.00 O ATOM 580 CB LEU A 37 -3.880 2.112 3.694 1.00 0.00 C ATOM 581 CG LEU A 37 -4.259 3.165 2.647 1.00 0.00 C ATOM 582 CD1 LEU A 37 -4.583 2.510 1.311 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.432 4.005 3.133 1.00 0.00 C ATOM 0 H LEU A 37 -4.288 1.128 5.919 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.897 1.372 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.702 2.617 4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.938 1.652 3.396 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.402 3.823 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.849 3.278 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.712 1.960 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.420 1.823 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.686 4.747 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.292 3.360 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.158 4.511 4.059 1.00 0.00 H new ATOM 595 N ILE A 38 -3.532 -0.949 3.467 1.00 0.00 N ATOM 596 CA ILE A 38 -3.112 -2.145 2.739 1.00 0.00 C ATOM 597 C ILE A 38 -4.247 -3.165 2.691 1.00 0.00 C ATOM 598 O ILE A 38 -4.452 -3.830 1.673 1.00 0.00 O ATOM 599 CB ILE A 38 -1.862 -2.803 3.372 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.746 -1.770 3.573 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.369 -3.952 2.500 1.00 0.00 C ATOM 602 CD1 ILE A 38 -0.373 -1.023 2.310 1.00 0.00 C ATOM 0 H ILE A 38 -2.970 -0.737 4.292 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.854 -1.828 1.729 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.142 -3.199 4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.060 -1.052 4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.139 -2.275 3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.490 -4.405 2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.155 -4.701 2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.109 -3.573 1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.422 -0.310 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.027 -1.731 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.245 -0.489 1.932 1.00 0.00 H new ATOM 614 N ASP A 39 -4.987 -3.275 3.797 1.00 0.00 N ATOM 615 CA ASP A 39 -6.109 -4.204 3.883 1.00 0.00 C ATOM 616 C ASP A 39 -7.175 -3.862 2.847 1.00 0.00 C ATOM 617 O ASP A 39 -7.731 -4.751 2.205 1.00 0.00 O ATOM 618 CB ASP A 39 -6.725 -4.186 5.287 1.00 0.00 C ATOM 619 CG ASP A 39 -7.034 -5.579 5.811 1.00 0.00 C ATOM 620 OD1 ASP A 39 -7.308 -6.482 4.991 1.00 0.00 O ATOM 621 OD2 ASP A 39 -7.008 -5.765 7.045 1.00 0.00 O ATOM 0 H ASP A 39 -4.827 -2.730 4.644 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.729 -5.205 3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.040 -3.688 5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.642 -3.597 5.269 1.00 0.00 H new ATOM 626 N HIS A 40 -7.452 -2.568 2.685 1.00 0.00 N ATOM 627 CA HIS A 40 -8.451 -2.108 1.719 1.00 0.00 C ATOM 628 C HIS A 40 -8.074 -2.528 0.298 1.00 0.00 C ATOM 629 O HIS A 40 -8.940 -2.895 -0.497 1.00 0.00 O ATOM 630 CB HIS A 40 -8.602 -0.586 1.791 1.00 0.00 C ATOM 631 CG HIS A 40 -9.969 -0.097 1.417 1.00 0.00 C ATOM 632 ND1 HIS A 40 -10.490 -0.207 0.143 1.00 0.00 N ATOM 633 CD2 HIS A 40 -10.924 0.513 2.159 1.00 0.00 C ATOM 634 CE1 HIS A 40 -11.703 0.317 0.119 1.00 0.00 C ATOM 635 NE2 HIS A 40 -11.989 0.760 1.329 1.00 0.00 N ATOM 0 H HIS A 40 -6.999 -1.820 3.210 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.403 -2.573 1.974 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.372 -0.255 2.804 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.868 -0.125 1.130 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.859 0.759 3.209 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.350 0.373 -0.744 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.861 1.213 1.603 1.00 0.00 H new ATOM 644 N ILE A 41 -6.778 -2.473 -0.013 1.00 0.00 N ATOM 645 CA ILE A 41 -6.286 -2.851 -1.337 1.00 0.00 C ATOM 646 C ILE A 41 -6.452 -4.353 -1.579 1.00 0.00 C ATOM 647 O ILE A 41 -6.657 -4.788 -2.711 1.00 0.00 O ATOM 648 CB ILE A 41 -4.800 -2.472 -1.520 1.00 0.00 C ATOM 649 CG1 ILE A 41 -4.569 -1.000 -1.165 1.00 0.00 C ATOM 650 CG2 ILE A 41 -4.353 -2.749 -2.948 1.00 0.00 C ATOM 651 CD1 ILE A 41 -3.138 -0.680 -0.790 1.00 0.00 C ATOM 0 H ILE A 41 -6.051 -2.170 0.635 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.883 -2.300 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.205 -3.086 -0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.859 -0.381 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.222 -0.729 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.304 -2.476 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.478 -3.809 -3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.957 -2.160 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.053 0.380 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.849 -1.271 0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.481 -0.918 -1.626 1.00 0.00 H new ATOM 663 N VAL A 42 -6.353 -5.139 -0.509 1.00 0.00 N ATOM 664 CA VAL A 42 -6.487 -6.591 -0.605 1.00 0.00 C ATOM 665 C VAL A 42 -7.900 -7.065 -0.232 1.00 0.00 C ATOM 666 O VAL A 42 -8.195 -8.259 -0.302 1.00 0.00 O ATOM 667 CB VAL A 42 -5.461 -7.297 0.309 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.472 -8.803 0.078 1.00 0.00 C ATOM 669 CG2 VAL A 42 -4.064 -6.729 0.092 1.00 0.00 C ATOM 0 H VAL A 42 -6.180 -4.794 0.435 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.298 -6.855 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.748 -7.112 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.741 -9.277 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.464 -9.197 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.218 -9.014 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.358 -7.241 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.769 -6.876 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.065 -5.663 0.322 1.00 0.00 H new ATOM 679 N SER A 43 -8.767 -6.134 0.174 1.00 0.00 N ATOM 680 CA SER A 43 -10.132 -6.479 0.566 1.00 0.00 C ATOM 681 C SER A 43 -11.109 -6.323 -0.599 1.00 0.00 C ATOM 682 O SER A 43 -11.542 -7.313 -1.189 1.00 0.00 O ATOM 683 CB SER A 43 -10.581 -5.617 1.751 1.00 0.00 C ATOM 684 OG SER A 43 -10.298 -6.258 2.983 1.00 0.00 O ATOM 0 H SER A 43 -8.548 -5.140 0.239 1.00 0.00 H new ATOM 0 HA SER A 43 -10.134 -7.527 0.865 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.076 -4.652 1.715 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.650 -5.420 1.677 1.00 0.00 H new ATOM 0 HG SER A 43 -9.373 -6.069 3.245 1.00 0.00 H new ATOM 690 N THR A 44 -11.462 -5.079 -0.923 1.00 0.00 N ATOM 691 CA THR A 44 -12.401 -4.809 -2.013 1.00 0.00 C ATOM 692 C THR A 44 -11.669 -4.599 -3.336 1.00 0.00 C ATOM 693 O THR A 44 -12.069 -5.140 -4.368 1.00 0.00 O ATOM 694 CB THR A 44 -13.265 -3.584 -1.692 1.00 0.00 C ATOM 695 OG1 THR A 44 -12.482 -2.402 -1.677 1.00 0.00 O ATOM 696 CG2 THR A 44 -13.971 -3.680 -0.357 1.00 0.00 C ATOM 0 H THR A 44 -11.114 -4.246 -0.449 1.00 0.00 H new ATOM 0 HA THR A 44 -13.047 -5.681 -2.114 1.00 0.00 H new ATOM 0 HB THR A 44 -14.015 -3.551 -2.482 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.054 -1.633 -1.472 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.564 -2.780 -0.194 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.625 -4.552 -0.353 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.233 -3.777 0.439 1.00 0.00 H new ATOM 704 N MET A 45 -10.597 -3.809 -3.298 1.00 0.00 N ATOM 705 CA MET A 45 -9.807 -3.523 -4.493 1.00 0.00 C ATOM 706 C MET A 45 -9.342 -4.816 -5.170 1.00 0.00 C ATOM 707 O MET A 45 -9.425 -4.942 -6.393 1.00 0.00 O ATOM 708 CB MET A 45 -8.603 -2.645 -4.130 1.00 0.00 C ATOM 709 CG MET A 45 -7.745 -2.247 -5.320 1.00 0.00 C ATOM 710 SD MET A 45 -6.994 -0.620 -5.114 1.00 0.00 S ATOM 711 CE MET A 45 -6.479 -0.268 -6.793 1.00 0.00 C ATOM 0 H MET A 45 -10.256 -3.355 -2.451 1.00 0.00 H new ATOM 0 HA MET A 45 -10.438 -2.984 -5.199 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.961 -1.742 -3.636 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.982 -3.178 -3.410 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.961 -2.990 -5.464 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.356 -2.250 -6.222 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.478 0.163 -6.784 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.471 -1.191 -7.372 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.174 0.439 -7.246 1.00 0.00 H new ATOM 721 N ILE A 46 -8.859 -5.774 -4.374 1.00 0.00 N ATOM 722 CA ILE A 46 -8.389 -7.049 -4.909 1.00 0.00 C ATOM 723 C ILE A 46 -8.969 -8.225 -4.126 1.00 0.00 C ATOM 724 O ILE A 46 -9.161 -8.139 -2.913 1.00 0.00 O ATOM 725 CB ILE A 46 -6.849 -7.142 -4.877 1.00 0.00 C ATOM 726 CG1 ILE A 46 -6.220 -5.897 -5.504 1.00 0.00 C ATOM 727 CG2 ILE A 46 -6.378 -8.395 -5.599 1.00 0.00 C ATOM 728 CD1 ILE A 46 -4.798 -5.648 -5.054 1.00 0.00 C ATOM 0 H ILE A 46 -8.784 -5.689 -3.360 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.730 -7.098 -5.943 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.531 -7.200 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.237 -5.998 -6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.829 -5.028 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.290 -8.446 -5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.797 -9.275 -5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.710 -8.363 -6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.415 -4.750 -5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.777 -5.515 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.176 -6.500 -5.327 1.00 0.00 H new ATOM 740 N ASN A 47 -9.235 -9.328 -4.826 1.00 0.00 N ATOM 741 CA ASN A 47 -9.782 -10.528 -4.195 1.00 0.00 C ATOM 742 C ASN A 47 -9.655 -11.740 -5.122 1.00 0.00 C ATOM 743 O ASN A 47 -10.612 -12.494 -5.310 1.00 0.00 O ATOM 744 CB ASN A 47 -11.250 -10.311 -3.805 1.00 0.00 C ATOM 745 CG ASN A 47 -11.582 -10.892 -2.440 1.00 0.00 C ATOM 746 OD1 ASN A 47 -12.179 -10.223 -1.598 1.00 0.00 O ATOM 747 ND2 ASN A 47 -11.197 -12.146 -2.212 1.00 0.00 N ATOM 0 H ASN A 47 -9.080 -9.415 -5.830 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.205 -10.725 -3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.468 -9.243 -3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.894 -10.768 -4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.395 -12.585 -1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.704 -12.668 -2.937 1.00 0.00 H new ATOM 754 N ASN A 48 -8.468 -11.922 -5.701 1.00 0.00 N ATOM 755 CA ASN A 48 -8.223 -13.039 -6.607 1.00 0.00 C ATOM 756 C ASN A 48 -6.847 -13.655 -6.360 1.00 0.00 C ATOM 757 O ASN A 48 -5.838 -12.950 -6.369 1.00 0.00 O ATOM 758 CB ASN A 48 -8.333 -12.573 -8.060 1.00 0.00 C ATOM 759 CG ASN A 48 -9.006 -13.604 -8.945 1.00 0.00 C ATOM 760 OD1 ASN A 48 -8.368 -14.206 -9.808 1.00 0.00 O ATOM 761 ND2 ASN A 48 -10.300 -13.818 -8.732 1.00 0.00 N ATOM 0 H ASN A 48 -7.664 -11.311 -5.558 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.978 -13.801 -6.416 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.896 -11.641 -8.099 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.337 -12.360 -8.447 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.803 -14.504 -9.295 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.790 -13.296 -8.005 1.00 0.00 H new ATOM 768 N PRO A 49 -6.789 -14.987 -6.131 1.00 0.00 N ATOM 769 CA PRO A 49 -5.528 -15.701 -5.879 1.00 0.00 C ATOM 770 C PRO A 49 -4.573 -15.625 -7.069 1.00 0.00 C ATOM 771 O PRO A 49 -4.431 -16.582 -7.833 1.00 0.00 O ATOM 772 CB PRO A 49 -5.968 -17.152 -5.635 1.00 0.00 C ATOM 773 CG PRO A 49 -7.418 -17.066 -5.306 1.00 0.00 C ATOM 774 CD PRO A 49 -7.944 -15.901 -6.094 1.00 0.00 C ATOM 0 HA PRO A 49 -4.980 -15.268 -5.042 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.800 -17.769 -6.518 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.404 -17.603 -4.818 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.936 -17.987 -5.575 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.569 -16.916 -4.237 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.258 -16.198 -7.095 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.808 -15.443 -5.612 1.00 0.00 H new ATOM 782 N ASN A 50 -3.927 -14.473 -7.217 1.00 0.00 N ATOM 783 CA ASN A 50 -2.982 -14.242 -8.305 1.00 0.00 C ATOM 784 C ASN A 50 -2.235 -12.930 -8.091 1.00 0.00 C ATOM 785 O ASN A 50 -1.009 -12.915 -7.990 1.00 0.00 O ATOM 786 CB ASN A 50 -3.707 -14.219 -9.655 1.00 0.00 C ATOM 787 CG ASN A 50 -2.906 -14.894 -10.757 1.00 0.00 C ATOM 788 OD1 ASN A 50 -2.054 -15.741 -10.492 1.00 0.00 O ATOM 789 ND2 ASN A 50 -3.176 -14.522 -12.005 1.00 0.00 N ATOM 0 H ASN A 50 -4.042 -13.677 -6.590 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.262 -15.061 -8.311 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.672 -14.717 -9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.909 -13.186 -9.938 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.669 -14.943 -12.784 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.890 -13.816 -12.184 1.00 0.00 H new ATOM 796 N ASP A 51 -2.987 -11.831 -8.006 1.00 0.00 N ATOM 797 CA ASP A 51 -2.403 -10.510 -7.787 1.00 0.00 C ATOM 798 C ASP A 51 -2.124 -10.279 -6.304 1.00 0.00 C ATOM 799 O ASP A 51 -1.121 -9.661 -5.942 1.00 0.00 O ATOM 800 CB ASP A 51 -3.317 -9.395 -8.333 1.00 0.00 C ATOM 801 CG ASP A 51 -4.806 -9.628 -8.104 1.00 0.00 C ATOM 802 OD1 ASP A 51 -5.166 -10.477 -7.264 1.00 0.00 O ATOM 803 OD2 ASP A 51 -5.615 -8.948 -8.766 1.00 0.00 O ATOM 0 H ASP A 51 -4.004 -11.832 -8.086 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.459 -10.475 -8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.034 -8.451 -7.868 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.139 -9.289 -9.403 1.00 0.00 H new ATOM 808 N VAL A 52 -3.012 -10.780 -5.449 1.00 0.00 N ATOM 809 CA VAL A 52 -2.850 -10.628 -4.009 1.00 0.00 C ATOM 810 C VAL A 52 -2.138 -11.843 -3.409 1.00 0.00 C ATOM 811 O VAL A 52 -1.352 -11.705 -2.474 1.00 0.00 O ATOM 812 CB VAL A 52 -4.213 -10.403 -3.315 1.00 0.00 C ATOM 813 CG1 VAL A 52 -4.251 -11.029 -1.930 1.00 0.00 C ATOM 814 CG2 VAL A 52 -4.519 -8.916 -3.235 1.00 0.00 C ATOM 0 H VAL A 52 -3.848 -11.293 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.232 -9.747 -3.836 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.978 -10.894 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.225 -10.849 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.082 -12.103 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.473 -10.585 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.481 -8.768 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.739 -8.414 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.557 -8.498 -4.241 1.00 0.00 H new ATOM 824 N SER A 53 -2.416 -13.028 -3.957 1.00 0.00 N ATOM 825 CA SER A 53 -1.793 -14.265 -3.478 1.00 0.00 C ATOM 826 C SER A 53 -0.267 -14.144 -3.469 1.00 0.00 C ATOM 827 O SER A 53 0.395 -14.637 -2.556 1.00 0.00 O ATOM 828 CB SER A 53 -2.218 -15.452 -4.350 1.00 0.00 C ATOM 829 OG SER A 53 -1.429 -16.600 -4.079 1.00 0.00 O ATOM 0 H SER A 53 -3.067 -13.158 -4.731 1.00 0.00 H new ATOM 0 HA SER A 53 -2.131 -14.436 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.269 -15.680 -4.171 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.125 -15.184 -5.403 1.00 0.00 H new ATOM 0 HG SER A 53 -1.724 -17.341 -4.648 1.00 0.00 H new ATOM 835 N ILE A 54 0.285 -13.484 -4.489 1.00 0.00 N ATOM 836 CA ILE A 54 1.731 -13.300 -4.590 1.00 0.00 C ATOM 837 C ILE A 54 2.185 -12.064 -3.808 1.00 0.00 C ATOM 838 O ILE A 54 3.274 -12.052 -3.233 1.00 0.00 O ATOM 839 CB ILE A 54 2.189 -13.176 -6.061 1.00 0.00 C ATOM 840 CG1 ILE A 54 1.598 -14.311 -6.904 1.00 0.00 C ATOM 841 CG2 ILE A 54 3.710 -13.190 -6.148 1.00 0.00 C ATOM 842 CD1 ILE A 54 1.672 -14.061 -8.395 1.00 0.00 C ATOM 0 H ILE A 54 -0.247 -13.070 -5.254 1.00 0.00 H new ATOM 0 HA ILE A 54 2.193 -14.187 -4.157 1.00 0.00 H new ATOM 0 HB ILE A 54 1.827 -12.226 -6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.125 -15.236 -6.673 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.556 -14.458 -6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.016 -13.102 -7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.115 -12.353 -5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.089 -14.125 -5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.235 -14.906 -8.928 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.120 -13.153 -8.640 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.714 -13.944 -8.693 1.00 0.00 H new ATOM 854 N PHE A 55 1.342 -11.030 -3.787 1.00 0.00 N ATOM 855 CA PHE A 55 1.652 -9.793 -3.071 1.00 0.00 C ATOM 856 C PHE A 55 1.679 -10.025 -1.556 1.00 0.00 C ATOM 857 O PHE A 55 2.659 -9.690 -0.888 1.00 0.00 O ATOM 858 CB PHE A 55 0.624 -8.709 -3.426 1.00 0.00 C ATOM 859 CG PHE A 55 0.818 -7.405 -2.697 1.00 0.00 C ATOM 860 CD1 PHE A 55 2.081 -6.855 -2.549 1.00 0.00 C ATOM 861 CD2 PHE A 55 -0.269 -6.732 -2.162 1.00 0.00 C ATOM 862 CE1 PHE A 55 2.256 -5.658 -1.880 1.00 0.00 C ATOM 863 CE2 PHE A 55 -0.100 -5.535 -1.493 1.00 0.00 C ATOM 864 CZ PHE A 55 1.164 -4.998 -1.352 1.00 0.00 C ATOM 0 H PHE A 55 0.438 -11.026 -4.259 1.00 0.00 H new ATOM 0 HA PHE A 55 2.643 -9.459 -3.378 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.668 -8.521 -4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.375 -9.088 -3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.938 -7.367 -2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.260 -7.148 -2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.246 -5.240 -1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.955 -5.020 -1.081 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.299 -4.063 -0.829 1.00 0.00 H new ATOM 874 N ILE A 56 0.597 -10.598 -1.022 1.00 0.00 N ATOM 875 CA ILE A 56 0.495 -10.872 0.412 1.00 0.00 C ATOM 876 C ILE A 56 0.686 -12.361 0.711 1.00 0.00 C ATOM 877 O ILE A 56 0.063 -13.218 0.082 1.00 0.00 O ATOM 878 CB ILE A 56 -0.865 -10.418 0.987 1.00 0.00 C ATOM 879 CG1 ILE A 56 -1.192 -8.983 0.555 1.00 0.00 C ATOM 880 CG2 ILE A 56 -0.858 -10.530 2.507 1.00 0.00 C ATOM 881 CD1 ILE A 56 -0.199 -7.950 1.047 1.00 0.00 C ATOM 0 H ILE A 56 -0.221 -10.881 -1.562 1.00 0.00 H new ATOM 0 HA ILE A 56 1.291 -10.301 0.890 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.640 -11.074 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.233 -8.943 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.185 -8.721 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.822 -10.207 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.677 -11.566 2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.070 -9.897 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.500 -6.962 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.174 -7.960 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.792 -8.184 0.659 1.00 0.00 H new ATOM 893 N GLU A 57 1.551 -12.655 1.683 1.00 0.00 N ATOM 894 CA GLU A 57 1.840 -14.030 2.086 1.00 0.00 C ATOM 895 C GLU A 57 1.592 -14.220 3.586 1.00 0.00 C ATOM 896 O GLU A 57 2.424 -13.843 4.416 1.00 0.00 O ATOM 897 CB GLU A 57 3.290 -14.379 1.733 1.00 0.00 C ATOM 898 CG GLU A 57 3.631 -15.856 1.869 1.00 0.00 C ATOM 899 CD GLU A 57 5.094 -16.138 1.578 1.00 0.00 C ATOM 900 OE1 GLU A 57 5.493 -16.050 0.397 1.00 0.00 O ATOM 901 OE2 GLU A 57 5.842 -16.443 2.531 1.00 0.00 O ATOM 0 H GLU A 57 2.068 -11.951 2.210 1.00 0.00 H new ATOM 0 HA GLU A 57 1.172 -14.701 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.487 -14.066 0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.956 -13.804 2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.393 -16.190 2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.009 -16.435 1.186 1.00 0.00 H new ATOM 908 N ASP A 58 0.435 -14.800 3.919 1.00 0.00 N ATOM 909 CA ASP A 58 0.047 -15.043 5.312 1.00 0.00 C ATOM 910 C ASP A 58 0.027 -13.739 6.113 1.00 0.00 C ATOM 911 O ASP A 58 0.947 -13.454 6.884 1.00 0.00 O ATOM 912 CB ASP A 58 0.985 -16.063 5.968 1.00 0.00 C ATOM 913 CG ASP A 58 0.687 -17.488 5.540 1.00 0.00 C ATOM 914 OD1 ASP A 58 -0.508 -17.848 5.445 1.00 0.00 O ATOM 915 OD2 ASP A 58 1.648 -18.247 5.298 1.00 0.00 O ATOM 0 H ASP A 58 -0.255 -15.113 3.236 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.962 -15.455 5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.016 -15.819 5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.898 -15.987 7.052 1.00 0.00 H new ATOM 920 N ASP A 59 -1.039 -12.953 5.910 1.00 0.00 N ATOM 921 CA ASP A 59 -1.233 -11.660 6.585 1.00 0.00 C ATOM 922 C ASP A 59 0.064 -10.840 6.666 1.00 0.00 C ATOM 923 O ASP A 59 0.298 -10.123 7.642 1.00 0.00 O ATOM 924 CB ASP A 59 -1.836 -11.859 7.986 1.00 0.00 C ATOM 925 CG ASP A 59 -0.975 -12.715 8.896 1.00 0.00 C ATOM 926 OD1 ASP A 59 -1.160 -13.950 8.897 1.00 0.00 O ATOM 927 OD2 ASP A 59 -0.122 -12.152 9.614 1.00 0.00 O ATOM 0 H ASP A 59 -1.795 -13.196 5.270 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.935 -11.089 5.978 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.986 -10.885 8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.819 -12.320 7.888 1.00 0.00 H new ATOM 932 N SER A 60 0.897 -10.939 5.628 1.00 0.00 N ATOM 933 CA SER A 60 2.158 -10.205 5.581 1.00 0.00 C ATOM 934 C SER A 60 2.682 -10.122 4.151 1.00 0.00 C ATOM 935 O SER A 60 2.635 -11.101 3.409 1.00 0.00 O ATOM 936 CB SER A 60 3.196 -10.874 6.487 1.00 0.00 C ATOM 937 OG SER A 60 4.157 -9.934 6.937 1.00 0.00 O ATOM 0 H SER A 60 0.719 -11.521 4.810 1.00 0.00 H new ATOM 0 HA SER A 60 1.978 -9.192 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.698 -11.329 7.343 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.694 -11.677 5.944 1.00 0.00 H new ATOM 0 HG SER A 60 4.808 -10.383 7.515 1.00 0.00 H new ATOM 943 N ILE A 61 3.177 -8.946 3.767 1.00 0.00 N ATOM 944 CA ILE A 61 3.703 -8.741 2.418 1.00 0.00 C ATOM 945 C ILE A 61 4.858 -9.696 2.119 1.00 0.00 C ATOM 946 O ILE A 61 5.575 -10.125 3.025 1.00 0.00 O ATOM 947 CB ILE A 61 4.179 -7.287 2.205 1.00 0.00 C ATOM 948 CG1 ILE A 61 3.081 -6.297 2.598 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.586 -7.071 0.755 1.00 0.00 C ATOM 950 CD1 ILE A 61 3.469 -5.384 3.741 1.00 0.00 C ATOM 0 H ILE A 61 3.225 -8.124 4.368 1.00 0.00 H new ATOM 0 HA ILE A 61 2.882 -8.946 1.731 1.00 0.00 H new ATOM 0 HB ILE A 61 5.046 -7.113 2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.823 -5.690 1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.185 -6.852 2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.919 -6.042 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.398 -7.752 0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.733 -7.264 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.642 -4.710 3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.698 -5.982 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.346 -4.802 3.460 1.00 0.00 H new ATOM 962 N ARG A 62 5.030 -10.023 0.838 1.00 0.00 N ATOM 963 CA ARG A 62 6.097 -10.926 0.412 1.00 0.00 C ATOM 964 C ARG A 62 7.424 -10.181 0.279 1.00 0.00 C ATOM 965 O ARG A 62 7.459 -9.042 -0.193 1.00 0.00 O ATOM 966 CB ARG A 62 5.740 -11.593 -0.921 1.00 0.00 C ATOM 967 CG ARG A 62 5.817 -13.111 -0.878 1.00 0.00 C ATOM 968 CD ARG A 62 6.369 -13.688 -2.174 1.00 0.00 C ATOM 969 NE ARG A 62 5.624 -14.870 -2.612 1.00 0.00 N ATOM 970 CZ ARG A 62 6.058 -15.726 -3.541 1.00 0.00 C ATOM 971 NH1 ARG A 62 7.234 -15.541 -4.136 1.00 0.00 N ATOM 972 NH2 ARG A 62 5.314 -16.774 -3.876 1.00 0.00 N ATOM 0 H ARG A 62 4.444 -9.676 0.079 1.00 0.00 H new ATOM 0 HA ARG A 62 6.205 -11.696 1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.731 -11.296 -1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.413 -11.224 -1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.449 -13.419 -0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.824 -13.520 -0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.332 -12.927 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.417 -13.952 -2.035 1.00 0.00 H new ATOM 0 HE ARG A 62 4.717 -15.051 -2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.813 -14.740 -3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.557 -16.200 -4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.412 -16.925 -3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.645 -17.428 -4.585 1.00 0.00 H new ATOM 986 N PRO A 63 8.539 -10.819 0.696 1.00 0.00 N ATOM 987 CA PRO A 63 9.878 -10.216 0.621 1.00 0.00 C ATOM 988 C PRO A 63 10.226 -9.751 -0.791 1.00 0.00 C ATOM 989 O PRO A 63 10.288 -10.557 -1.722 1.00 0.00 O ATOM 990 CB PRO A 63 10.809 -11.353 1.052 1.00 0.00 C ATOM 991 CG PRO A 63 9.956 -12.258 1.870 1.00 0.00 C ATOM 992 CD PRO A 63 8.580 -12.178 1.271 1.00 0.00 C ATOM 0 HA PRO A 63 9.957 -9.325 1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.223 -11.874 0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.652 -10.975 1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.334 -13.280 1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.946 -11.947 2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.428 -12.942 0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.805 -12.320 2.024 1.00 0.00 H new ATOM 1000 N GLY A 64 10.447 -8.446 -0.943 1.00 0.00 N ATOM 1001 CA GLY A 64 10.779 -7.890 -2.244 1.00 0.00 C ATOM 1002 C GLY A 64 10.022 -6.606 -2.538 1.00 0.00 C ATOM 1003 O GLY A 64 10.568 -5.683 -3.147 1.00 0.00 O ATOM 0 H GLY A 64 10.402 -7.764 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.850 -7.695 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.556 -8.625 -3.017 1.00 0.00 H new ATOM 1007 N ILE A 65 8.761 -6.547 -2.105 1.00 0.00 N ATOM 1008 CA ILE A 65 7.928 -5.367 -2.324 1.00 0.00 C ATOM 1009 C ILE A 65 8.338 -4.228 -1.396 1.00 0.00 C ATOM 1010 O ILE A 65 8.640 -4.445 -0.220 1.00 0.00 O ATOM 1011 CB ILE A 65 6.428 -5.671 -2.112 1.00 0.00 C ATOM 1012 CG1 ILE A 65 6.007 -6.918 -2.900 1.00 0.00 C ATOM 1013 CG2 ILE A 65 5.579 -4.470 -2.513 1.00 0.00 C ATOM 1014 CD1 ILE A 65 6.118 -6.762 -4.403 1.00 0.00 C ATOM 0 H ILE A 65 8.296 -7.303 -1.601 1.00 0.00 H new ATOM 0 HA ILE A 65 8.081 -5.068 -3.361 1.00 0.00 H new ATOM 0 HB ILE A 65 6.266 -5.870 -1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.624 -7.760 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.976 -7.166 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.525 -4.701 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.855 -3.609 -1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.748 -4.240 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.803 -7.685 -4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.479 -5.942 -4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.152 -6.546 -4.671 1.00 0.00 H new ATOM 1026 N ILE A 66 8.346 -3.015 -1.938 1.00 0.00 N ATOM 1027 CA ILE A 66 8.717 -1.829 -1.177 1.00 0.00 C ATOM 1028 C ILE A 66 7.483 -0.994 -0.828 1.00 0.00 C ATOM 1029 O ILE A 66 6.535 -0.916 -1.611 1.00 0.00 O ATOM 1030 CB ILE A 66 9.720 -0.959 -1.967 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.000 -1.748 -2.260 1.00 0.00 C ATOM 1032 CG2 ILE A 66 10.048 0.319 -1.207 1.00 0.00 C ATOM 1033 CD1 ILE A 66 11.883 -1.102 -3.307 1.00 0.00 C ATOM 0 H ILE A 66 8.098 -2.827 -2.909 1.00 0.00 H new ATOM 0 HA ILE A 66 9.189 -2.167 -0.254 1.00 0.00 H new ATOM 0 HB ILE A 66 9.256 -0.683 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.568 -1.860 -1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.731 -2.751 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.756 0.914 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.135 0.893 -1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.488 0.066 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.770 -1.715 -3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.333 -1.015 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.182 -0.110 -2.969 1.00 0.00 H new ATOM 1045 N THR A 67 7.507 -0.370 0.351 1.00 0.00 N ATOM 1046 CA THR A 67 6.397 0.464 0.811 1.00 0.00 C ATOM 1047 C THR A 67 6.920 1.722 1.509 1.00 0.00 C ATOM 1048 O THR A 67 7.046 1.757 2.735 1.00 0.00 O ATOM 1049 CB THR A 67 5.489 -0.322 1.766 1.00 0.00 C ATOM 1050 OG1 THR A 67 5.391 -1.684 1.381 1.00 0.00 O ATOM 1051 CG2 THR A 67 4.083 0.234 1.845 1.00 0.00 C ATOM 0 H THR A 67 8.287 -0.427 1.006 1.00 0.00 H new ATOM 0 HA THR A 67 5.816 0.762 -0.062 1.00 0.00 H new ATOM 0 HB THR A 67 5.961 -0.228 2.744 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.673 -1.787 0.722 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.493 -0.367 2.537 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.119 1.264 2.198 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.624 0.205 0.857 1.00 0.00 H new ATOM 1059 N LEU A 68 7.231 2.749 0.719 1.00 0.00 N ATOM 1060 CA LEU A 68 7.746 4.004 1.260 1.00 0.00 C ATOM 1061 C LEU A 68 6.620 4.875 1.810 1.00 0.00 C ATOM 1062 O LEU A 68 5.665 5.196 1.100 1.00 0.00 O ATOM 1063 CB LEU A 68 8.518 4.774 0.186 1.00 0.00 C ATOM 1064 CG LEU A 68 9.691 4.020 -0.446 1.00 0.00 C ATOM 1065 CD1 LEU A 68 10.335 4.866 -1.533 1.00 0.00 C ATOM 1066 CD2 LEU A 68 10.717 3.636 0.612 1.00 0.00 C ATOM 0 H LEU A 68 7.135 2.736 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 68 8.421 3.757 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.823 5.058 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.896 5.697 0.625 1.00 0.00 H new ATOM 0 HG LEU A 68 9.310 3.104 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.168 4.319 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.598 5.090 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.701 5.797 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.542 3.101 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.097 4.537 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.248 2.995 1.358 1.00 0.00 H new ATOM 1078 N ILE A 69 6.744 5.257 3.079 1.00 0.00 N ATOM 1079 CA ILE A 69 5.748 6.095 3.736 1.00 0.00 C ATOM 1080 C ILE A 69 6.268 7.524 3.898 1.00 0.00 C ATOM 1081 O ILE A 69 7.120 7.789 4.749 1.00 0.00 O ATOM 1082 CB ILE A 69 5.363 5.533 5.125 1.00 0.00 C ATOM 1083 CG1 ILE A 69 5.124 4.020 5.051 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.128 6.241 5.663 1.00 0.00 C ATOM 1085 CD1 ILE A 69 5.035 3.350 6.407 1.00 0.00 C ATOM 0 H ILE A 69 7.530 4.997 3.675 1.00 0.00 H new ATOM 0 HA ILE A 69 4.861 6.099 3.102 1.00 0.00 H new ATOM 0 HB ILE A 69 6.192 5.715 5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.201 3.833 4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.932 3.561 4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.872 5.833 6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.332 7.308 5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.294 6.090 4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.865 2.281 6.274 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.967 3.505 6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.209 3.781 6.972 1.00 0.00 H new ATOM 1097 N ASN A 70 5.751 8.438 3.073 1.00 0.00 N ATOM 1098 CA ASN A 70 6.158 9.845 3.112 1.00 0.00 C ATOM 1099 C ASN A 70 7.657 9.995 2.842 1.00 0.00 C ATOM 1100 O ASN A 70 8.383 10.603 3.632 1.00 0.00 O ATOM 1101 CB ASN A 70 5.797 10.472 4.465 1.00 0.00 C ATOM 1102 CG ASN A 70 4.419 11.106 4.464 1.00 0.00 C ATOM 1103 OD1 ASN A 70 3.437 10.474 4.848 1.00 0.00 O ATOM 1104 ND2 ASN A 70 4.339 12.361 4.032 1.00 0.00 N ATOM 0 H ASN A 70 5.046 8.227 2.366 1.00 0.00 H new ATOM 0 HA ASN A 70 5.617 10.371 2.325 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.840 9.706 5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.540 11.227 4.721 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.437 12.836 4.010 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.180 12.848 3.722 1.00 0.00 H new ATOM 1111 N ASP A 71 8.113 9.441 1.717 1.00 0.00 N ATOM 1112 CA ASP A 71 9.525 9.510 1.332 1.00 0.00 C ATOM 1113 C ASP A 71 10.429 8.875 2.395 1.00 0.00 C ATOM 1114 O ASP A 71 11.581 9.278 2.566 1.00 0.00 O ATOM 1115 CB ASP A 71 9.936 10.967 1.084 1.00 0.00 C ATOM 1116 CG ASP A 71 9.709 11.396 -0.353 1.00 0.00 C ATOM 1117 OD1 ASP A 71 10.274 10.752 -1.263 1.00 0.00 O ATOM 1118 OD2 ASP A 71 8.966 12.376 -0.569 1.00 0.00 O ATOM 0 H ASP A 71 7.523 8.938 1.054 1.00 0.00 H new ATOM 0 HA ASP A 71 9.648 8.943 0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.370 11.619 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.989 11.092 1.336 1.00 0.00 H new ATOM 1123 N THR A 72 9.901 7.873 3.099 1.00 0.00 N ATOM 1124 CA THR A 72 10.658 7.175 4.136 1.00 0.00 C ATOM 1125 C THR A 72 10.309 5.688 4.141 1.00 0.00 C ATOM 1126 O THR A 72 9.362 5.265 3.478 1.00 0.00 O ATOM 1127 CB THR A 72 10.377 7.786 5.518 1.00 0.00 C ATOM 1128 OG1 THR A 72 9.958 9.135 5.408 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.578 7.762 6.438 1.00 0.00 C ATOM 0 H THR A 72 8.950 7.527 2.969 1.00 0.00 H new ATOM 0 HA THR A 72 11.720 7.287 3.916 1.00 0.00 H new ATOM 0 HB THR A 72 9.590 7.163 5.944 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.049 9.166 5.043 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.311 8.208 7.396 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.897 6.731 6.594 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.393 8.329 5.988 1.00 0.00 H new ATOM 1137 N ASP A 73 11.075 4.900 4.893 1.00 0.00 N ATOM 1138 CA ASP A 73 10.838 3.460 4.983 1.00 0.00 C ATOM 1139 C ASP A 73 9.733 3.148 5.992 1.00 0.00 C ATOM 1140 O ASP A 73 9.395 3.980 6.836 1.00 0.00 O ATOM 1141 CB ASP A 73 12.124 2.723 5.370 1.00 0.00 C ATOM 1142 CG ASP A 73 12.658 1.846 4.250 1.00 0.00 C ATOM 1143 OD1 ASP A 73 12.471 2.205 3.068 1.00 0.00 O ATOM 1144 OD2 ASP A 73 13.264 0.799 4.558 1.00 0.00 O ATOM 0 H ASP A 73 11.863 5.233 5.448 1.00 0.00 H new ATOM 0 HA ASP A 73 10.516 3.114 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.885 3.451 5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.934 2.107 6.249 1.00 0.00 H new ATOM 1149 N TRP A 74 9.176 1.941 5.896 1.00 0.00 N ATOM 1150 CA TRP A 74 8.105 1.511 6.796 1.00 0.00 C ATOM 1151 C TRP A 74 8.659 1.105 8.161 1.00 0.00 C ATOM 1152 O TRP A 74 8.103 1.472 9.199 1.00 0.00 O ATOM 1153 CB TRP A 74 7.310 0.350 6.179 1.00 0.00 C ATOM 1154 CG TRP A 74 8.115 -0.901 5.970 1.00 0.00 C ATOM 1155 CD1 TRP A 74 8.233 -1.956 6.831 1.00 0.00 C ATOM 1156 CD2 TRP A 74 8.913 -1.227 4.826 1.00 0.00 C ATOM 1157 NE1 TRP A 74 9.057 -2.916 6.292 1.00 0.00 N ATOM 1158 CE2 TRP A 74 9.485 -2.494 5.059 1.00 0.00 C ATOM 1159 CE3 TRP A 74 9.199 -0.572 3.625 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 10.323 -3.113 4.135 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 10.030 -1.187 2.710 1.00 0.00 C ATOM 1162 CH2 TRP A 74 10.584 -2.447 2.968 1.00 0.00 C ATOM 0 H TRP A 74 9.448 1.243 5.204 1.00 0.00 H new ATOM 0 HA TRP A 74 7.434 2.358 6.939 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.462 0.120 6.825 1.00 0.00 H new ATOM 0 HB3 TRP A 74 6.903 0.672 5.221 1.00 0.00 H new ATOM 0 HD1 TRP A 74 7.750 -2.026 7.794 1.00 0.00 H new ATOM 0 HE1 TRP A 74 9.309 -3.799 6.737 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.777 0.400 3.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.752 -4.084 4.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.257 -0.688 1.779 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.230 -2.902 2.232 1.00 0.00 H new ATOM 1173 N GLU A 75 9.755 0.346 8.156 1.00 0.00 N ATOM 1174 CA GLU A 75 10.379 -0.109 9.396 1.00 0.00 C ATOM 1175 C GLU A 75 11.208 1.003 10.044 1.00 0.00 C ATOM 1176 O GLU A 75 11.422 0.994 11.257 1.00 0.00 O ATOM 1177 CB GLU A 75 11.258 -1.334 9.137 1.00 0.00 C ATOM 1178 CG GLU A 75 10.570 -2.655 9.452 1.00 0.00 C ATOM 1179 CD GLU A 75 11.182 -3.831 8.711 1.00 0.00 C ATOM 1180 OE1 GLU A 75 12.426 -3.954 8.710 1.00 0.00 O ATOM 1181 OE2 GLU A 75 10.417 -4.630 8.133 1.00 0.00 O ATOM 0 H GLU A 75 10.228 0.034 7.308 1.00 0.00 H new ATOM 0 HA GLU A 75 9.581 -0.384 10.085 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.567 -1.335 8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.164 -1.254 9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.624 -2.840 10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.514 -2.579 9.194 1.00 0.00 H new ATOM 1188 N LEU A 76 11.671 1.958 9.231 1.00 0.00 N ATOM 1189 CA LEU A 76 12.472 3.079 9.730 1.00 0.00 C ATOM 1190 C LEU A 76 11.755 3.797 10.876 1.00 0.00 C ATOM 1191 O LEU A 76 12.392 4.246 11.830 1.00 0.00 O ATOM 1192 CB LEU A 76 12.769 4.067 8.594 1.00 0.00 C ATOM 1193 CG LEU A 76 14.202 4.612 8.542 1.00 0.00 C ATOM 1194 CD1 LEU A 76 14.474 5.530 9.724 1.00 0.00 C ATOM 1195 CD2 LEU A 76 15.213 3.475 8.503 1.00 0.00 C ATOM 0 H LEU A 76 11.505 1.977 8.225 1.00 0.00 H new ATOM 0 HA LEU A 76 13.413 2.681 10.110 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.552 3.576 7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.083 4.909 8.682 1.00 0.00 H new ATOM 0 HG LEU A 76 14.308 5.194 7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.496 5.904 9.666 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.778 6.369 9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.343 4.975 10.653 1.00 0.00 H new ATOM 0 HD21 LEU A 76 16.222 3.886 8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 76 15.104 2.860 9.396 1.00 0.00 H new ATOM 0 HD23 LEU A 76 15.038 2.863 7.618 1.00 0.00 H new ATOM 1207 N GLU A 77 10.426 3.894 10.780 1.00 0.00 N ATOM 1208 CA GLU A 77 9.625 4.547 11.813 1.00 0.00 C ATOM 1209 C GLU A 77 8.935 3.510 12.704 1.00 0.00 C ATOM 1210 O GLU A 77 8.727 3.746 13.896 1.00 0.00 O ATOM 1211 CB GLU A 77 8.585 5.470 11.174 1.00 0.00 C ATOM 1212 CG GLU A 77 8.826 6.948 11.455 1.00 0.00 C ATOM 1213 CD GLU A 77 8.351 7.852 10.330 1.00 0.00 C ATOM 1214 OE1 GLU A 77 7.239 7.623 9.806 1.00 0.00 O ATOM 1215 OE2 GLU A 77 9.092 8.793 9.976 1.00 0.00 O ATOM 0 H GLU A 77 9.884 3.528 9.997 1.00 0.00 H new ATOM 0 HA GLU A 77 10.292 5.144 12.435 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.583 5.309 10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.595 5.196 11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.314 7.225 12.377 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.891 7.112 11.620 1.00 0.00 H new ATOM 1222 N GLY A 78 8.585 2.363 12.118 1.00 0.00 N ATOM 1223 CA GLY A 78 7.926 1.310 12.871 1.00 0.00 C ATOM 1224 C GLY A 78 7.610 0.093 12.020 1.00 0.00 C ATOM 1225 O GLY A 78 8.398 -0.852 11.965 1.00 0.00 O ATOM 0 H GLY A 78 8.747 2.147 11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.563 1.011 13.704 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.002 1.699 13.300 1.00 0.00 H new ATOM 1229 N GLU A 79 6.454 0.129 11.352 1.00 0.00 N ATOM 1230 CA GLU A 79 6.010 -0.965 10.484 1.00 0.00 C ATOM 1231 C GLU A 79 4.555 -0.750 10.056 1.00 0.00 C ATOM 1232 O GLU A 79 4.291 -0.264 8.955 1.00 0.00 O ATOM 1233 CB GLU A 79 6.160 -2.325 11.185 1.00 0.00 C ATOM 1234 CG GLU A 79 7.173 -3.243 10.514 1.00 0.00 C ATOM 1235 CD GLU A 79 6.594 -4.594 10.132 1.00 0.00 C ATOM 1236 OE1 GLU A 79 5.427 -4.642 9.687 1.00 0.00 O ATOM 1237 OE2 GLU A 79 7.313 -5.606 10.274 1.00 0.00 O ATOM 0 H GLU A 79 5.803 0.913 11.397 1.00 0.00 H new ATOM 0 HA GLU A 79 6.644 -0.968 9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.459 -2.161 12.220 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.190 -2.822 11.209 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.560 -2.755 9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.018 -3.394 11.186 1.00 0.00 H new ATOM 1244 N LYS A 80 3.619 -1.109 10.936 1.00 0.00 N ATOM 1245 CA LYS A 80 2.192 -0.953 10.661 1.00 0.00 C ATOM 1246 C LYS A 80 1.547 0.066 11.607 1.00 0.00 C ATOM 1247 O LYS A 80 0.547 0.697 11.258 1.00 0.00 O ATOM 1248 CB LYS A 80 1.484 -2.302 10.785 1.00 0.00 C ATOM 1249 CG LYS A 80 -0.003 -2.240 10.477 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.702 -3.548 10.822 1.00 0.00 C ATOM 1251 CE LYS A 80 -0.819 -4.463 9.608 1.00 0.00 C ATOM 1252 NZ LYS A 80 0.492 -4.665 8.925 1.00 0.00 N ATOM 0 H LYS A 80 3.827 -1.512 11.850 1.00 0.00 H new ATOM 0 HA LYS A 80 2.086 -0.580 9.642 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.957 -3.014 10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.621 -2.683 11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.458 -1.424 11.039 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.147 -2.018 9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.149 -4.059 11.611 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.696 -3.336 11.215 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.216 -5.429 9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.533 -4.038 8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.405 -5.431 8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.771 -3.787 8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.215 -4.918 9.629 1.00 0.00 H new ATOM 1266 N ASP A 81 2.123 0.222 12.804 1.00 0.00 N ATOM 1267 CA ASP A 81 1.607 1.164 13.801 1.00 0.00 C ATOM 1268 C ASP A 81 1.513 2.587 13.240 1.00 0.00 C ATOM 1269 O ASP A 81 0.745 3.405 13.749 1.00 0.00 O ATOM 1270 CB ASP A 81 2.493 1.157 15.051 1.00 0.00 C ATOM 1271 CG ASP A 81 2.406 -0.151 15.813 1.00 0.00 C ATOM 1272 OD1 ASP A 81 3.096 -1.114 15.418 1.00 0.00 O ATOM 1273 OD2 ASP A 81 1.648 -0.212 16.804 1.00 0.00 O ATOM 0 H ASP A 81 2.949 -0.294 13.106 1.00 0.00 H new ATOM 0 HA ASP A 81 0.601 0.839 14.068 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.528 1.337 14.761 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.199 1.977 15.706 1.00 0.00 H new ATOM 1278 N TYR A 82 2.295 2.876 12.193 1.00 0.00 N ATOM 1279 CA TYR A 82 2.291 4.199 11.565 1.00 0.00 C ATOM 1280 C TYR A 82 0.862 4.702 11.357 1.00 0.00 C ATOM 1281 O TYR A 82 0.079 4.091 10.625 1.00 0.00 O ATOM 1282 CB TYR A 82 3.029 4.154 10.223 1.00 0.00 C ATOM 1283 CG TYR A 82 2.994 5.467 9.468 1.00 0.00 C ATOM 1284 CD1 TYR A 82 1.934 5.777 8.625 1.00 0.00 C ATOM 1285 CD2 TYR A 82 4.017 6.397 9.605 1.00 0.00 C ATOM 1286 CE1 TYR A 82 1.894 6.974 7.938 1.00 0.00 C ATOM 1287 CE2 TYR A 82 3.984 7.598 8.922 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.922 7.883 8.090 1.00 0.00 C ATOM 1289 OH TYR A 82 2.887 9.079 7.407 1.00 0.00 O ATOM 0 H TYR A 82 2.938 2.210 11.764 1.00 0.00 H new ATOM 0 HA TYR A 82 2.806 4.890 12.232 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.067 3.873 10.398 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.588 3.375 9.601 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.127 5.069 8.505 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.851 6.178 10.255 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.063 7.198 7.285 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.787 8.311 9.039 1.00 0.00 H new ATOM 0 HH TYR A 82 3.100 8.923 6.463 1.00 0.00 H new ATOM 1299 N ILE A 83 0.533 5.816 12.007 1.00 0.00 N ATOM 1300 CA ILE A 83 -0.797 6.405 11.899 1.00 0.00 C ATOM 1301 C ILE A 83 -0.947 7.178 10.589 1.00 0.00 C ATOM 1302 O ILE A 83 -0.100 8.005 10.246 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.099 7.347 13.090 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -0.809 6.645 14.423 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.545 7.822 13.041 1.00 0.00 C ATOM 1306 CD1 ILE A 83 -0.101 7.527 15.431 1.00 0.00 C ATOM 0 H ILE A 83 1.172 6.329 12.615 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.513 5.583 11.915 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.447 8.217 13.012 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.748 6.298 14.853 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.199 5.762 14.234 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.740 8.483 13.886 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.719 8.362 12.110 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.212 6.962 13.092 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.071 6.965 16.349 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.855 7.854 15.021 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.719 8.398 15.650 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.030 6.900 9.861 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.302 7.564 8.590 1.00 0.00 C ATOM 1320 C LEU A 84 -2.653 9.033 8.812 1.00 0.00 C ATOM 1321 O LEU A 84 -2.730 9.495 9.953 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.449 6.858 7.860 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.109 5.483 7.274 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.303 4.913 6.520 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -1.894 5.573 6.361 1.00 0.00 C ATOM 0 H LEU A 84 -2.735 6.215 10.134 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.402 7.511 7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.282 6.742 8.554 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.794 7.503 7.052 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.869 4.811 8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.043 3.937 6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.147 4.808 7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.575 5.586 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.670 4.586 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.104 6.262 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.037 5.935 6.930 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.870 9.763 7.719 1.00 0.00 N ATOM 1338 CA GLU A 85 -3.216 11.173 7.798 1.00 0.00 C ATOM 1339 C GLU A 85 -3.556 11.728 6.422 1.00 0.00 C ATOM 1340 O GLU A 85 -2.666 11.983 5.611 1.00 0.00 O ATOM 1341 CB GLU A 85 -2.068 11.980 8.408 1.00 0.00 C ATOM 1342 CG GLU A 85 -2.492 12.805 9.612 1.00 0.00 C ATOM 1343 CD GLU A 85 -1.978 14.232 9.568 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -2.034 14.856 8.487 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -1.522 14.728 10.620 1.00 0.00 O ATOM 0 H GLU A 85 -2.811 9.397 6.769 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.093 11.262 8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.271 11.299 8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.654 12.643 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.580 12.819 9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.131 12.323 10.520 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.853 11.915 6.176 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.341 12.454 4.902 1.00 0.00 C ATOM 1354 C ASP A 86 -4.416 13.558 4.385 1.00 0.00 C ATOM 1355 O ASP A 86 -4.394 14.667 4.924 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.764 12.999 5.077 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.347 13.594 3.802 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -6.727 13.453 2.727 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -8.432 14.198 3.881 1.00 0.00 O ATOM 0 H ASP A 86 -5.591 11.700 6.846 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.352 11.647 4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.413 12.194 5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.759 13.762 5.856 1.00 0.00 H new ATOM 1364 N GLY A 87 -3.643 13.234 3.349 1.00 0.00 N ATOM 1365 CA GLY A 87 -2.709 14.190 2.780 1.00 0.00 C ATOM 1366 C GLY A 87 -1.306 13.614 2.609 1.00 0.00 C ATOM 1367 O GLY A 87 -0.449 14.246 1.990 1.00 0.00 O ATOM 0 H GLY A 87 -3.648 12.322 2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.081 14.522 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.660 15.070 3.422 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.067 12.415 3.154 1.00 0.00 N ATOM 1372 CA ASP A 88 0.242 11.768 3.049 1.00 0.00 C ATOM 1373 C ASP A 88 0.418 11.093 1.688 1.00 0.00 C ATOM 1374 O ASP A 88 -0.553 10.884 0.956 1.00 0.00 O ATOM 1375 CB ASP A 88 0.436 10.738 4.175 1.00 0.00 C ATOM 1376 CG ASP A 88 -0.718 9.753 4.308 1.00 0.00 C ATOM 1377 OD1 ASP A 88 -1.402 9.484 3.299 1.00 0.00 O ATOM 1378 OD2 ASP A 88 -0.933 9.246 5.428 1.00 0.00 O ATOM 0 H ASP A 88 -1.762 11.876 3.670 1.00 0.00 H new ATOM 0 HA ASP A 88 1.000 12.545 3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.357 10.183 3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.563 11.266 5.120 1.00 0.00 H new ATOM 1383 N ILE A 89 1.666 10.758 1.356 1.00 0.00 N ATOM 1384 CA ILE A 89 1.978 10.111 0.086 1.00 0.00 C ATOM 1385 C ILE A 89 2.740 8.802 0.306 1.00 0.00 C ATOM 1386 O ILE A 89 3.850 8.802 0.841 1.00 0.00 O ATOM 1387 CB ILE A 89 2.814 11.035 -0.827 1.00 0.00 C ATOM 1388 CG1 ILE A 89 2.191 12.437 -0.888 1.00 0.00 C ATOM 1389 CG2 ILE A 89 2.933 10.435 -2.223 1.00 0.00 C ATOM 1390 CD1 ILE A 89 0.815 12.465 -1.519 1.00 0.00 C ATOM 0 H ILE A 89 2.477 10.926 1.952 1.00 0.00 H new ATOM 0 HA ILE A 89 1.027 9.896 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 89 3.816 11.126 -0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.126 12.840 0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.853 13.095 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.525 11.098 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.421 9.462 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.939 10.316 -2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.439 13.488 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.876 12.093 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.138 11.834 -0.943 1.00 0.00 H new ATOM 1402 N ILE A 90 2.133 7.691 -0.109 1.00 0.00 N ATOM 1403 CA ILE A 90 2.749 6.374 0.042 1.00 0.00 C ATOM 1404 C ILE A 90 3.167 5.805 -1.314 1.00 0.00 C ATOM 1405 O ILE A 90 2.469 5.985 -2.313 1.00 0.00 O ATOM 1406 CB ILE A 90 1.792 5.379 0.737 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.268 5.966 2.052 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.489 4.046 0.985 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.005 6.784 1.884 1.00 0.00 C ATOM 0 H ILE A 90 1.215 7.677 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 90 3.633 6.507 0.665 1.00 0.00 H new ATOM 0 HB ILE A 90 0.943 5.203 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.075 5.154 2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.042 6.593 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.798 3.360 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.810 3.621 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.358 4.203 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.311 7.169 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.198 7.617 1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.783 6.155 1.469 1.00 0.00 H new ATOM 1421 N SER A 91 4.309 5.119 -1.344 1.00 0.00 N ATOM 1422 CA SER A 91 4.817 4.525 -2.581 1.00 0.00 C ATOM 1423 C SER A 91 4.996 3.013 -2.439 1.00 0.00 C ATOM 1424 O SER A 91 5.459 2.528 -1.406 1.00 0.00 O ATOM 1425 CB SER A 91 6.151 5.163 -2.979 1.00 0.00 C ATOM 1426 OG SER A 91 6.148 6.560 -2.730 1.00 0.00 O ATOM 0 H SER A 91 4.899 4.961 -0.527 1.00 0.00 H new ATOM 0 HA SER A 91 4.080 4.716 -3.361 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.962 4.694 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.343 4.980 -4.036 1.00 0.00 H new ATOM 0 HG SER A 91 7.012 6.941 -2.992 1.00 0.00 H new ATOM 1432 N PHE A 92 4.633 2.278 -3.489 1.00 0.00 N ATOM 1433 CA PHE A 92 4.757 0.823 -3.494 1.00 0.00 C ATOM 1434 C PHE A 92 5.687 0.362 -4.616 1.00 0.00 C ATOM 1435 O PHE A 92 5.233 -0.070 -5.679 1.00 0.00 O ATOM 1436 CB PHE A 92 3.379 0.171 -3.649 1.00 0.00 C ATOM 1437 CG PHE A 92 2.880 -0.493 -2.397 1.00 0.00 C ATOM 1438 CD1 PHE A 92 3.483 -1.647 -1.923 1.00 0.00 C ATOM 1439 CD2 PHE A 92 1.808 0.036 -1.697 1.00 0.00 C ATOM 1440 CE1 PHE A 92 3.026 -2.261 -0.774 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.346 -0.574 -0.547 1.00 0.00 C ATOM 1442 CZ PHE A 92 1.956 -1.725 -0.085 1.00 0.00 C ATOM 0 H PHE A 92 4.249 2.669 -4.350 1.00 0.00 H new ATOM 0 HA PHE A 92 5.187 0.515 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.660 0.930 -3.958 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.425 -0.569 -4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.320 -2.071 -2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.328 0.935 -2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.505 -3.160 -0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.509 -0.152 -0.010 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.596 -2.204 0.813 1.00 0.00 H new ATOM 1452 N THR A 93 6.993 0.459 -4.372 1.00 0.00 N ATOM 1453 CA THR A 93 7.994 0.055 -5.360 1.00 0.00 C ATOM 1454 C THR A 93 8.255 -1.450 -5.289 1.00 0.00 C ATOM 1455 O THR A 93 7.758 -2.135 -4.393 1.00 0.00 O ATOM 1456 CB THR A 93 9.303 0.828 -5.146 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.073 2.024 -4.418 1.00 0.00 O ATOM 1458 CG2 THR A 93 9.995 1.207 -6.441 1.00 0.00 C ATOM 0 H THR A 93 7.383 0.814 -3.499 1.00 0.00 H new ATOM 0 HA THR A 93 7.604 0.290 -6.350 1.00 0.00 H new ATOM 0 HB THR A 93 9.948 0.147 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.921 2.499 -4.292 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.913 1.751 -6.217 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.235 0.304 -7.003 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.335 1.839 -7.035 1.00 0.00 H new ATOM 1466 N SER A 94 9.036 -1.961 -6.241 1.00 0.00 N ATOM 1467 CA SER A 94 9.359 -3.384 -6.286 1.00 0.00 C ATOM 1468 C SER A 94 10.792 -3.607 -6.756 1.00 0.00 C ATOM 1469 O SER A 94 11.148 -3.248 -7.880 1.00 0.00 O ATOM 1470 CB SER A 94 8.388 -4.120 -7.211 1.00 0.00 C ATOM 1471 OG SER A 94 7.355 -4.748 -6.471 1.00 0.00 O ATOM 0 H SER A 94 9.455 -1.410 -6.990 1.00 0.00 H new ATOM 0 HA SER A 94 9.263 -3.782 -5.276 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.954 -3.417 -7.922 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.929 -4.867 -7.792 1.00 0.00 H new ATOM 0 HG SER A 94 6.747 -5.210 -7.085 1.00 0.00 H new ATOM 1477 N THR A 95 11.609 -4.206 -5.892 1.00 0.00 N ATOM 1478 CA THR A 95 13.005 -4.483 -6.221 1.00 0.00 C ATOM 1479 C THR A 95 13.180 -5.925 -6.706 1.00 0.00 C ATOM 1480 O THR A 95 14.166 -6.587 -6.374 1.00 0.00 O ATOM 1481 CB THR A 95 13.902 -4.214 -5.005 1.00 0.00 C ATOM 1482 OG1 THR A 95 13.229 -4.531 -3.798 1.00 0.00 O ATOM 1483 CG2 THR A 95 14.362 -2.775 -4.910 1.00 0.00 C ATOM 0 H THR A 95 11.328 -4.509 -4.959 1.00 0.00 H new ATOM 0 HA THR A 95 13.302 -3.817 -7.031 1.00 0.00 H new ATOM 0 HB THR A 95 14.775 -4.852 -5.146 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.821 -4.353 -3.037 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.992 -2.652 -4.029 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.931 -2.515 -5.803 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.494 -2.120 -4.830 1.00 0.00 H new