USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 927 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.77) USER MOD Single : A 8 ASN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -72:sc= 0.358 USER MOD Single : A 25 ASN : amide:sc= 0.309 X(o=0.31,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc=-0.00937 X(o=-0.0094,f=-0.12) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 142:sc= 1.37 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00927 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -160:sc= -0.724 USER MOD Single : A 49 CYS SG : rot 86:sc= 0.00352 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -138:sc= 0.591 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -13.8! C(o=-14!,f=-12!) USER MOD Single : A 68 ASN : amide:sc= -0.0341 K(o=-0.034,f=-0.63) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.22) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.361 K(o=-0.36,f=-1.2) USER MOD Single : A 83 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.28) USER MOD Single : A 84 HIS : no HD1:sc= 0.369 K(o=0.37,f=-1.9!) USER MOD Single : A 91 GLN : amide:sc= -0.0685 K(o=-0.069,f=-1.2!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00483 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 64:sc= 0.859 USER MOD Single : A 105 SER OG : rot 180:sc= -0.392 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 145:sc= -0.356 (180deg=-1.53!) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 4 -6.205 -12.681 -9.578 1.00 0.00 N ATOM 41 CA ASN A 4 -5.711 -11.383 -9.133 1.00 0.00 C ATOM 42 C ASN A 4 -4.889 -11.523 -7.853 1.00 0.00 C ATOM 43 O ASN A 4 -5.224 -12.326 -6.982 1.00 0.00 O ATOM 44 CB ASN A 4 -6.880 -10.424 -8.901 1.00 0.00 C ATOM 45 CG ASN A 4 -6.503 -8.977 -9.155 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.474 -8.523 -10.299 1.00 0.00 O ATOM 47 ND2 ASN A 4 -6.212 -8.246 -8.086 1.00 0.00 N ATOM 0 HA ASN A 4 -5.067 -10.978 -9.914 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.708 -10.700 -9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.234 -10.529 -7.876 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.951 -7.266 -8.194 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.249 -8.664 -7.157 1.00 0.00 H new ATOM 54 N PRO A 5 -3.798 -10.744 -7.719 1.00 0.00 N ATOM 55 CA PRO A 5 -2.933 -10.793 -6.534 1.00 0.00 C ATOM 56 C PRO A 5 -3.699 -10.519 -5.244 1.00 0.00 C ATOM 57 O PRO A 5 -3.446 -11.149 -4.216 1.00 0.00 O ATOM 58 CB PRO A 5 -1.906 -9.684 -6.788 1.00 0.00 C ATOM 59 CG PRO A 5 -1.910 -9.488 -8.264 1.00 0.00 C ATOM 60 CD PRO A 5 -3.318 -9.762 -8.709 1.00 0.00 C ATOM 0 HA PRO A 5 -2.489 -11.779 -6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.179 -8.766 -6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.917 -9.972 -6.430 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.608 -8.474 -8.525 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.207 -10.165 -8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.925 -8.857 -8.705 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.350 -10.163 -9.722 1.00 0.00 H new ATOM 68 N ALA A 6 -4.634 -9.576 -5.303 1.00 0.00 N ATOM 69 CA ALA A 6 -5.434 -9.219 -4.136 1.00 0.00 C ATOM 70 C ALA A 6 -6.422 -10.328 -3.784 1.00 0.00 C ATOM 71 O ALA A 6 -6.777 -10.509 -2.619 1.00 0.00 O ATOM 72 CB ALA A 6 -6.168 -7.909 -4.382 1.00 0.00 C ATOM 0 H ALA A 6 -4.856 -9.046 -6.145 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.760 -9.091 -3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.761 -7.654 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.444 -7.117 -4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.825 -8.017 -5.245 1.00 0.00 H new ATOM 78 N GLU A 7 -6.864 -11.066 -4.799 1.00 0.00 N ATOM 79 CA GLU A 7 -7.811 -12.157 -4.594 1.00 0.00 C ATOM 80 C GLU A 7 -7.132 -13.354 -3.935 1.00 0.00 C ATOM 81 O GLU A 7 -7.604 -13.865 -2.919 1.00 0.00 O ATOM 82 CB GLU A 7 -8.431 -12.579 -5.927 1.00 0.00 C ATOM 83 CG GLU A 7 -9.425 -11.572 -6.481 1.00 0.00 C ATOM 84 CD GLU A 7 -10.207 -12.113 -7.662 1.00 0.00 C ATOM 85 OE1 GLU A 7 -11.209 -12.822 -7.436 1.00 0.00 O ATOM 86 OE2 GLU A 7 -9.816 -11.827 -8.813 1.00 0.00 O ATOM 0 H GLU A 7 -6.582 -10.928 -5.770 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.598 -11.799 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.635 -12.731 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.932 -13.538 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.119 -11.281 -5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.892 -10.671 -6.785 1.00 0.00 H new ATOM 93 N ASN A 8 -6.024 -13.796 -4.524 1.00 0.00 N ATOM 94 CA ASN A 8 -5.275 -14.931 -3.996 1.00 0.00 C ATOM 95 C ASN A 8 -4.855 -14.681 -2.551 1.00 0.00 C ATOM 96 O ASN A 8 -4.720 -15.616 -1.762 1.00 0.00 O ATOM 97 CB ASN A 8 -4.041 -15.202 -4.858 1.00 0.00 C ATOM 98 CG ASN A 8 -3.801 -16.683 -5.076 1.00 0.00 C ATOM 99 OD1 ASN A 8 -4.165 -17.237 -6.113 1.00 0.00 O ATOM 100 ND2 ASN A 8 -3.186 -17.333 -4.094 1.00 0.00 N ATOM 0 H ASN A 8 -5.625 -13.385 -5.368 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.925 -15.805 -4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.161 -14.710 -5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.165 -14.761 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.998 -18.332 -4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.902 -16.833 -3.251 1.00 0.00 H new ATOM 107 N PHE A 9 -4.648 -13.413 -2.214 1.00 0.00 N ATOM 108 CA PHE A 9 -4.247 -13.036 -0.864 1.00 0.00 C ATOM 109 C PHE A 9 -5.449 -13.047 0.075 1.00 0.00 C ATOM 110 O PHE A 9 -5.385 -13.590 1.178 1.00 0.00 O ATOM 111 CB PHE A 9 -3.598 -11.649 -0.876 1.00 0.00 C ATOM 112 CG PHE A 9 -3.393 -11.061 0.492 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.359 -11.503 1.302 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.231 -10.064 0.965 1.00 0.00 C ATOM 115 CE1 PHE A 9 -2.167 -10.963 2.559 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.044 -9.521 2.221 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.010 -9.970 3.020 1.00 0.00 C ATOM 0 H PHE A 9 -4.751 -12.628 -2.858 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.520 -13.763 -0.502 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.634 -11.714 -1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.220 -10.973 -1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.696 -12.278 0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.040 -9.707 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.358 -11.317 3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.706 -8.746 2.578 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.861 -9.546 4.002 1.00 0.00 H new ATOM 127 N ARG A 10 -6.545 -12.442 -0.375 1.00 0.00 N ATOM 128 CA ARG A 10 -7.767 -12.376 0.417 1.00 0.00 C ATOM 129 C ARG A 10 -8.260 -13.772 0.784 1.00 0.00 C ATOM 130 O ARG A 10 -8.808 -13.982 1.868 1.00 0.00 O ATOM 131 CB ARG A 10 -8.856 -11.625 -0.351 1.00 0.00 C ATOM 132 CG ARG A 10 -8.800 -10.117 -0.164 1.00 0.00 C ATOM 133 CD ARG A 10 -9.832 -9.411 -1.029 1.00 0.00 C ATOM 134 NE ARG A 10 -9.488 -9.469 -2.448 1.00 0.00 N ATOM 135 CZ ARG A 10 -9.713 -8.476 -3.304 1.00 0.00 C ATOM 136 NH1 ARG A 10 -10.279 -7.351 -2.886 1.00 0.00 N ATOM 137 NH2 ARG A 10 -9.371 -8.607 -4.577 1.00 0.00 N ATOM 0 H ARG A 10 -6.610 -11.990 -1.287 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.542 -11.839 1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.765 -11.855 -1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.832 -11.987 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.973 -9.872 0.884 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.803 -9.755 -0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.809 -9.868 -0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.914 -8.370 -0.718 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.050 -10.319 -2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.543 -7.246 -1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.450 -6.591 -3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.935 -9.470 -4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.544 -7.845 -5.233 1.00 0.00 H new ATOM 151 N VAL A 11 -8.065 -14.727 -0.121 1.00 0.00 N ATOM 152 CA VAL A 11 -8.497 -16.100 0.124 1.00 0.00 C ATOM 153 C VAL A 11 -7.503 -16.838 1.015 1.00 0.00 C ATOM 154 O VAL A 11 -7.896 -17.561 1.931 1.00 0.00 O ATOM 155 CB VAL A 11 -8.686 -16.885 -1.190 1.00 0.00 C ATOM 156 CG1 VAL A 11 -9.870 -16.339 -1.972 1.00 0.00 C ATOM 157 CG2 VAL A 11 -7.420 -16.847 -2.031 1.00 0.00 C ATOM 0 H VAL A 11 -7.614 -14.578 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.459 -16.039 0.632 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.892 -17.926 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.988 -16.905 -2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.776 -16.431 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.696 -15.289 -2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.578 -17.407 -2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.175 -15.813 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.598 -17.293 -1.471 1.00 0.00 H new ATOM 167 N LEU A 12 -6.214 -16.658 0.737 1.00 0.00 N ATOM 168 CA LEU A 12 -5.164 -17.300 1.521 1.00 0.00 C ATOM 169 C LEU A 12 -5.260 -16.903 2.989 1.00 0.00 C ATOM 170 O LEU A 12 -4.938 -17.691 3.878 1.00 0.00 O ATOM 171 CB LEU A 12 -3.784 -16.931 0.971 1.00 0.00 C ATOM 172 CG LEU A 12 -2.880 -18.120 0.643 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.094 -17.857 -0.632 1.00 0.00 C ATOM 174 CD2 LEU A 12 -1.939 -18.409 1.803 1.00 0.00 C ATOM 0 H LEU A 12 -5.872 -16.073 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.300 -18.379 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.917 -16.335 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.277 -16.298 1.699 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.507 -18.997 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.456 -18.714 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.785 -17.700 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.476 -16.969 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.303 -19.258 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.318 -17.534 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.521 -18.642 2.694 1.00 0.00 H new ATOM 186 N VAL A 13 -5.698 -15.673 3.241 1.00 0.00 N ATOM 187 CA VAL A 13 -5.837 -15.180 4.605 1.00 0.00 C ATOM 188 C VAL A 13 -7.210 -15.522 5.176 1.00 0.00 C ATOM 189 O VAL A 13 -7.504 -15.219 6.332 1.00 0.00 O ATOM 190 CB VAL A 13 -5.627 -13.655 4.677 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.245 -13.282 4.165 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.709 -12.926 3.893 1.00 0.00 C ATOM 0 H VAL A 13 -5.962 -15.002 2.520 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.067 -15.672 5.199 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.699 -13.347 5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.115 -12.201 4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.486 -13.772 4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.142 -13.604 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.542 -11.851 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.674 -13.237 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.686 -13.167 4.311 1.00 0.00 H new ATOM 202 N LYS A 14 -8.045 -16.156 4.358 1.00 0.00 N ATOM 203 CA LYS A 14 -9.388 -16.534 4.787 1.00 0.00 C ATOM 204 C LYS A 14 -9.682 -18.005 4.489 1.00 0.00 C ATOM 205 O LYS A 14 -10.799 -18.354 4.104 1.00 0.00 O ATOM 206 CB LYS A 14 -10.429 -15.647 4.102 1.00 0.00 C ATOM 207 CG LYS A 14 -11.431 -15.032 5.065 1.00 0.00 C ATOM 208 CD LYS A 14 -12.754 -14.737 4.378 1.00 0.00 C ATOM 209 CE LYS A 14 -13.750 -14.103 5.334 1.00 0.00 C ATOM 210 NZ LYS A 14 -14.925 -13.534 4.617 1.00 0.00 N ATOM 0 H LYS A 14 -7.817 -16.418 3.399 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.442 -16.392 5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.917 -14.849 3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.966 -16.238 3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.597 -15.711 5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.021 -14.111 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.585 -14.070 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.171 -15.661 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.090 -14.850 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.256 -13.315 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.580 -13.111 5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.604 -12.803 3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.412 -14.290 4.094 1.00 0.00 H new ATOM 224 N GLN A 15 -8.682 -18.866 4.668 1.00 0.00 N ATOM 225 CA GLN A 15 -8.859 -20.297 4.420 1.00 0.00 C ATOM 226 C GLN A 15 -8.687 -21.105 5.700 1.00 0.00 C ATOM 227 O GLN A 15 -9.508 -21.969 6.013 1.00 0.00 O ATOM 228 CB GLN A 15 -7.868 -20.797 3.367 1.00 0.00 C ATOM 229 CG GLN A 15 -6.586 -19.987 3.293 1.00 0.00 C ATOM 230 CD GLN A 15 -5.353 -20.859 3.156 1.00 0.00 C ATOM 231 OE1 GLN A 15 -4.503 -20.896 4.045 1.00 0.00 O ATOM 232 NE2 GLN A 15 -5.250 -21.567 2.037 1.00 0.00 N ATOM 0 H GLN A 15 -7.748 -18.602 4.981 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.875 -20.436 4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.618 -21.836 3.583 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.352 -20.782 2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.640 -19.305 2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.495 -19.374 4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.979 -21.506 1.326 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.442 -22.172 1.889 1.00 0.00 H new ATOM 241 N LYS A 16 -7.618 -20.821 6.439 1.00 0.00 N ATOM 242 CA LYS A 16 -7.335 -21.531 7.677 1.00 0.00 C ATOM 243 C LYS A 16 -6.151 -20.891 8.391 1.00 0.00 C ATOM 244 O LYS A 16 -6.142 -20.770 9.616 1.00 0.00 O ATOM 245 CB LYS A 16 -7.052 -23.009 7.382 1.00 0.00 C ATOM 246 CG LYS A 16 -6.233 -23.709 8.453 1.00 0.00 C ATOM 247 CD LYS A 16 -6.795 -25.085 8.772 1.00 0.00 C ATOM 248 CE LYS A 16 -7.392 -25.134 10.168 1.00 0.00 C ATOM 249 NZ LYS A 16 -7.749 -26.522 10.572 1.00 0.00 N ATOM 0 H LYS A 16 -6.934 -20.103 6.199 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.206 -21.468 8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.000 -23.533 7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.526 -23.084 6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.200 -23.805 8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.220 -23.101 9.358 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.559 -25.346 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.004 -25.830 8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.680 -24.720 10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.282 -24.505 10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.153 -26.512 11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.448 -26.909 9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.896 -27.117 10.562 1.00 0.00 H new ATOM 263 N LYS A 17 -5.152 -20.482 7.613 1.00 0.00 N ATOM 264 CA LYS A 17 -3.971 -19.847 8.164 1.00 0.00 C ATOM 265 C LYS A 17 -3.635 -18.584 7.379 1.00 0.00 C ATOM 266 O LYS A 17 -4.513 -17.984 6.759 1.00 0.00 O ATOM 267 CB LYS A 17 -2.787 -20.817 8.149 1.00 0.00 C ATOM 268 CG LYS A 17 -3.046 -22.105 8.911 1.00 0.00 C ATOM 269 CD LYS A 17 -2.612 -23.321 8.111 1.00 0.00 C ATOM 270 CE LYS A 17 -2.399 -24.531 9.007 1.00 0.00 C ATOM 271 NZ LYS A 17 -1.568 -25.574 8.345 1.00 0.00 N ATOM 0 H LYS A 17 -5.143 -20.582 6.598 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.176 -19.569 9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.540 -21.060 7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.916 -20.321 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.510 -22.082 9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.107 -22.183 9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.367 -23.552 7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.689 -23.096 7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.917 -24.217 9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.365 -24.956 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.447 -26.382 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.040 -25.893 7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.636 -25.177 8.108 1.00 0.00 H new ATOM 285 N ALA A 18 -2.365 -18.182 7.432 1.00 0.00 N ATOM 286 CA ALA A 18 -1.881 -16.989 6.732 1.00 0.00 C ATOM 287 C ALA A 18 -2.136 -15.741 7.567 1.00 0.00 C ATOM 288 O ALA A 18 -1.214 -14.978 7.845 1.00 0.00 O ATOM 289 CB ALA A 18 -2.511 -16.855 5.352 1.00 0.00 C ATOM 0 H ALA A 18 -1.643 -18.672 7.960 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.806 -17.099 6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.128 -15.959 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.262 -17.730 4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.594 -16.779 5.452 1.00 0.00 H new ATOM 295 N SER A 19 -3.392 -15.553 7.970 1.00 0.00 N ATOM 296 CA SER A 19 -3.791 -14.409 8.791 1.00 0.00 C ATOM 297 C SER A 19 -3.277 -13.083 8.227 1.00 0.00 C ATOM 298 O SER A 19 -4.009 -12.362 7.550 1.00 0.00 O ATOM 299 CB SER A 19 -3.289 -14.590 10.224 1.00 0.00 C ATOM 300 OG SER A 19 -3.818 -15.769 10.805 1.00 0.00 O ATOM 0 H SER A 19 -4.158 -16.185 7.739 1.00 0.00 H new ATOM 0 HA SER A 19 -4.880 -14.370 8.782 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.200 -14.636 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.574 -13.726 10.824 1.00 0.00 H new ATOM 0 HG SER A 19 -3.480 -15.863 11.720 1.00 0.00 H new ATOM 306 N PHE A 20 -2.015 -12.773 8.512 1.00 0.00 N ATOM 307 CA PHE A 20 -1.407 -11.528 8.053 1.00 0.00 C ATOM 308 C PHE A 20 0.106 -11.542 8.251 1.00 0.00 C ATOM 309 O PHE A 20 0.720 -10.498 8.473 1.00 0.00 O ATOM 310 CB PHE A 20 -2.016 -10.340 8.803 1.00 0.00 C ATOM 311 CG PHE A 20 -2.418 -9.200 7.910 1.00 0.00 C ATOM 312 CD1 PHE A 20 -3.446 -9.348 6.992 1.00 0.00 C ATOM 313 CD2 PHE A 20 -1.770 -7.978 7.993 1.00 0.00 C ATOM 314 CE1 PHE A 20 -3.818 -8.300 6.173 1.00 0.00 C ATOM 315 CE2 PHE A 20 -2.138 -6.927 7.176 1.00 0.00 C ATOM 316 CZ PHE A 20 -3.164 -7.088 6.265 1.00 0.00 C ATOM 0 H PHE A 20 -1.393 -13.368 9.059 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.609 -11.429 6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.891 -10.682 9.356 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.296 -9.978 9.537 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.962 -10.294 6.916 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.968 -7.846 8.704 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.620 -8.429 5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.624 -5.980 7.249 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.454 -6.267 5.626 1.00 0.00 H new ATOM 326 N GLU A 21 0.706 -12.727 8.171 1.00 0.00 N ATOM 327 CA GLU A 21 2.148 -12.866 8.344 1.00 0.00 C ATOM 328 C GLU A 21 2.815 -13.327 7.049 1.00 0.00 C ATOM 329 O GLU A 21 3.418 -12.528 6.332 1.00 0.00 O ATOM 330 CB GLU A 21 2.453 -13.856 9.471 1.00 0.00 C ATOM 331 CG GLU A 21 3.548 -13.385 10.414 1.00 0.00 C ATOM 332 CD GLU A 21 3.699 -14.283 11.626 1.00 0.00 C ATOM 333 OE1 GLU A 21 4.255 -15.391 11.478 1.00 0.00 O ATOM 334 OE2 GLU A 21 3.261 -13.878 12.723 1.00 0.00 O ATOM 0 H GLU A 21 0.216 -13.603 7.988 1.00 0.00 H new ATOM 0 HA GLU A 21 2.552 -11.888 8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.543 -14.033 10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.746 -14.811 9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.495 -13.346 9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.327 -12.370 10.744 1.00 0.00 H new ATOM 341 N GLU A 22 2.703 -14.620 6.758 1.00 0.00 N ATOM 342 CA GLU A 22 3.297 -15.185 5.552 1.00 0.00 C ATOM 343 C GLU A 22 2.648 -14.599 4.301 1.00 0.00 C ATOM 344 O GLU A 22 3.330 -14.283 3.325 1.00 0.00 O ATOM 345 CB GLU A 22 3.148 -16.708 5.551 1.00 0.00 C ATOM 346 CG GLU A 22 4.295 -17.432 6.238 1.00 0.00 C ATOM 347 CD GLU A 22 4.388 -18.891 5.833 1.00 0.00 C ATOM 348 OE1 GLU A 22 3.655 -19.716 6.418 1.00 0.00 O ATOM 349 OE2 GLU A 22 5.193 -19.207 4.933 1.00 0.00 O ATOM 0 H GLU A 22 2.207 -15.295 7.340 1.00 0.00 H new ATOM 0 HA GLU A 22 4.357 -14.930 5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.214 -16.974 6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.074 -17.057 4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.233 -16.931 5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.167 -17.366 7.318 1.00 0.00 H new ATOM 356 N ALA A 23 1.328 -14.458 4.340 1.00 0.00 N ATOM 357 CA ALA A 23 0.584 -13.909 3.215 1.00 0.00 C ATOM 358 C ALA A 23 0.894 -12.429 3.022 1.00 0.00 C ATOM 359 O ALA A 23 0.840 -11.914 1.903 1.00 0.00 O ATOM 360 CB ALA A 23 -0.909 -14.116 3.419 1.00 0.00 C ATOM 0 H ALA A 23 0.751 -14.717 5.140 1.00 0.00 H new ATOM 0 HA ALA A 23 0.893 -14.438 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.453 -13.701 2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.121 -15.182 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.224 -13.613 4.333 1.00 0.00 H new ATOM 366 N SER A 24 1.226 -11.748 4.115 1.00 0.00 N ATOM 367 CA SER A 24 1.544 -10.327 4.061 1.00 0.00 C ATOM 368 C SER A 24 2.881 -10.106 3.365 1.00 0.00 C ATOM 369 O SER A 24 2.965 -9.378 2.375 1.00 0.00 O ATOM 370 CB SER A 24 1.586 -9.739 5.473 1.00 0.00 C ATOM 371 OG SER A 24 0.285 -9.414 5.929 1.00 0.00 O ATOM 0 H SER A 24 1.281 -12.158 5.047 1.00 0.00 H new ATOM 0 HA SER A 24 0.765 -9.821 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.045 -10.455 6.155 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.211 -8.846 5.480 1.00 0.00 H new ATOM 0 HG SER A 24 -0.042 -8.624 5.450 1.00 0.00 H new ATOM 377 N ASN A 25 3.926 -10.736 3.896 1.00 0.00 N ATOM 378 CA ASN A 25 5.260 -10.622 3.321 1.00 0.00 C ATOM 379 C ASN A 25 5.236 -10.993 1.843 1.00 0.00 C ATOM 380 O ASN A 25 5.853 -10.321 1.014 1.00 0.00 O ATOM 381 CB ASN A 25 6.243 -11.525 4.070 1.00 0.00 C ATOM 382 CG ASN A 25 6.776 -10.875 5.331 1.00 0.00 C ATOM 383 OD1 ASN A 25 7.712 -10.076 5.284 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.181 -11.215 6.469 1.00 0.00 N ATOM 0 H ASN A 25 3.873 -11.330 4.723 1.00 0.00 H new ATOM 0 HA ASN A 25 5.588 -9.587 3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.748 -12.461 4.328 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.076 -11.775 3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.496 -10.810 7.350 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.409 -11.881 6.461 1.00 0.00 H new ATOM 391 N GLN A 26 4.518 -12.065 1.520 1.00 0.00 N ATOM 392 CA GLN A 26 4.406 -12.519 0.138 1.00 0.00 C ATOM 393 C GLN A 26 3.797 -11.425 -0.732 1.00 0.00 C ATOM 394 O GLN A 26 4.298 -11.129 -1.819 1.00 0.00 O ATOM 395 CB GLN A 26 3.551 -13.785 0.061 1.00 0.00 C ATOM 396 CG GLN A 26 4.357 -15.071 0.158 1.00 0.00 C ATOM 397 CD GLN A 26 3.547 -16.296 -0.216 1.00 0.00 C ATOM 398 OE1 GLN A 26 3.227 -16.510 -1.386 1.00 0.00 O ATOM 399 NE2 GLN A 26 3.212 -17.109 0.779 1.00 0.00 N ATOM 0 H GLN A 26 4.006 -12.634 2.195 1.00 0.00 H new ATOM 0 HA GLN A 26 5.406 -12.747 -0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.815 -13.766 0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.997 -13.783 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.226 -15.001 -0.496 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.732 -15.185 1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.499 -16.892 1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.668 -17.950 0.589 1.00 0.00 H new ATOM 408 N LEU A 27 2.711 -10.833 -0.248 1.00 0.00 N ATOM 409 CA LEU A 27 2.034 -9.763 -0.971 1.00 0.00 C ATOM 410 C LEU A 27 2.993 -8.611 -1.251 1.00 0.00 C ATOM 411 O LEU A 27 3.067 -8.114 -2.376 1.00 0.00 O ATOM 412 CB LEU A 27 0.825 -9.262 -0.173 1.00 0.00 C ATOM 413 CG LEU A 27 -0.353 -8.751 -1.011 1.00 0.00 C ATOM 414 CD1 LEU A 27 0.023 -7.473 -1.745 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.818 -9.816 -1.994 1.00 0.00 C ATOM 0 H LEU A 27 2.280 -11.077 0.644 1.00 0.00 H new ATOM 0 HA LEU A 27 1.686 -10.162 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.471 -10.073 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.154 -8.459 0.487 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.178 -8.527 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.827 -7.128 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.299 -6.706 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.867 -7.668 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.654 -9.432 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.002 -10.077 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.135 -10.703 -1.446 1.00 0.00 H new ATOM 427 N ILE A 28 3.725 -8.186 -0.223 1.00 0.00 N ATOM 428 CA ILE A 28 4.676 -7.091 -0.373 1.00 0.00 C ATOM 429 C ILE A 28 5.767 -7.451 -1.379 1.00 0.00 C ATOM 430 O ILE A 28 6.243 -6.594 -2.126 1.00 0.00 O ATOM 431 CB ILE A 28 5.309 -6.701 0.986 1.00 0.00 C ATOM 432 CG1 ILE A 28 5.319 -5.180 1.145 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.719 -7.262 1.124 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.001 -4.615 1.625 1.00 0.00 C ATOM 0 H ILE A 28 3.677 -8.581 0.716 1.00 0.00 H new ATOM 0 HA ILE A 28 4.124 -6.230 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 28 4.701 -7.136 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.103 -4.901 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.574 -4.724 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.134 -6.970 2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.686 -8.349 1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.347 -6.869 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.081 -3.532 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.217 -4.863 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.754 -5.043 2.597 1.00 0.00 H new ATOM 446 N ASN A 29 6.158 -8.724 -1.392 1.00 0.00 N ATOM 447 CA ASN A 29 7.182 -9.196 -2.313 1.00 0.00 C ATOM 448 C ASN A 29 6.687 -9.071 -3.746 1.00 0.00 C ATOM 449 O ASN A 29 7.410 -8.605 -4.629 1.00 0.00 O ATOM 450 CB ASN A 29 7.548 -10.650 -2.008 1.00 0.00 C ATOM 451 CG ASN A 29 9.038 -10.907 -2.124 1.00 0.00 C ATOM 452 OD1 ASN A 29 9.806 -10.598 -1.212 1.00 0.00 O ATOM 453 ND2 ASN A 29 9.455 -11.476 -3.248 1.00 0.00 N ATOM 0 H ASN A 29 5.780 -9.443 -0.775 1.00 0.00 H new ATOM 0 HA ASN A 29 8.074 -8.582 -2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.216 -10.902 -1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.014 -11.308 -2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.447 -11.674 -3.382 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.784 -11.716 -3.978 1.00 0.00 H new ATOM 460 N HIS A 30 5.444 -9.490 -3.968 1.00 0.00 N ATOM 461 CA HIS A 30 4.839 -9.410 -5.289 1.00 0.00 C ATOM 462 C HIS A 30 4.827 -7.962 -5.759 1.00 0.00 C ATOM 463 O HIS A 30 5.152 -7.667 -6.909 1.00 0.00 O ATOM 464 CB HIS A 30 3.414 -9.968 -5.262 1.00 0.00 C ATOM 465 CG HIS A 30 3.177 -11.044 -6.275 1.00 0.00 C ATOM 466 ND1 HIS A 30 3.943 -12.188 -6.351 1.00 0.00 N ATOM 467 CD2 HIS A 30 2.249 -11.149 -7.257 1.00 0.00 C ATOM 468 CE1 HIS A 30 3.499 -12.948 -7.337 1.00 0.00 C ATOM 469 NE2 HIS A 30 2.472 -12.342 -7.901 1.00 0.00 N ATOM 0 H HIS A 30 4.839 -9.887 -3.249 1.00 0.00 H new ATOM 0 HA HIS A 30 5.428 -10.009 -5.984 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.205 -10.363 -4.268 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.710 -9.154 -5.436 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.478 -10.429 -7.490 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.908 -13.903 -7.631 1.00 0.00 H new ATOM 0 HE2 HIS A 30 1.931 -12.701 -8.688 1.00 0.00 H new ATOM 478 N ILE A 31 4.445 -7.062 -4.855 1.00 0.00 N ATOM 479 CA ILE A 31 4.410 -5.640 -5.167 1.00 0.00 C ATOM 480 C ILE A 31 5.785 -5.173 -5.626 1.00 0.00 C ATOM 481 O ILE A 31 5.919 -4.521 -6.663 1.00 0.00 O ATOM 482 CB ILE A 31 3.967 -4.798 -3.952 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.538 -5.161 -3.543 1.00 0.00 C ATOM 484 CG2 ILE A 31 4.072 -3.312 -4.269 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.102 -4.529 -2.237 1.00 0.00 C ATOM 0 H ILE A 31 4.157 -7.294 -3.904 1.00 0.00 H new ATOM 0 HA ILE A 31 3.681 -5.498 -5.965 1.00 0.00 H new ATOM 0 HB ILE A 31 4.631 -5.019 -3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.853 -4.852 -4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.458 -6.245 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.756 -2.732 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.105 -3.064 -4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.430 -3.075 -5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.079 -4.830 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.763 -4.858 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.149 -3.444 -2.324 1.00 0.00 H new ATOM 497 N GLU A 32 6.805 -5.508 -4.839 1.00 0.00 N ATOM 498 CA GLU A 32 8.178 -5.137 -5.165 1.00 0.00 C ATOM 499 C GLU A 32 8.545 -5.613 -6.566 1.00 0.00 C ATOM 500 O GLU A 32 9.146 -4.874 -7.347 1.00 0.00 O ATOM 501 CB GLU A 32 9.147 -5.730 -4.142 1.00 0.00 C ATOM 502 CG GLU A 32 9.243 -4.925 -2.857 1.00 0.00 C ATOM 503 CD GLU A 32 10.169 -5.560 -1.838 1.00 0.00 C ATOM 504 OE1 GLU A 32 11.382 -5.265 -1.873 1.00 0.00 O ATOM 505 OE2 GLU A 32 9.682 -6.355 -1.007 1.00 0.00 O ATOM 0 H GLU A 32 6.706 -6.035 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 32 8.254 -4.050 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.832 -6.746 -3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.138 -5.801 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.597 -3.920 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.249 -4.820 -2.423 1.00 0.00 H new ATOM 512 N GLN A 33 8.180 -6.854 -6.877 1.00 0.00 N ATOM 513 CA GLN A 33 8.459 -7.428 -8.186 1.00 0.00 C ATOM 514 C GLN A 33 7.807 -6.591 -9.280 1.00 0.00 C ATOM 515 O GLN A 33 8.424 -6.291 -10.300 1.00 0.00 O ATOM 516 CB GLN A 33 7.954 -8.871 -8.256 1.00 0.00 C ATOM 517 CG GLN A 33 8.967 -9.895 -7.771 1.00 0.00 C ATOM 518 CD GLN A 33 8.429 -11.312 -7.816 1.00 0.00 C ATOM 519 OE1 GLN A 33 8.500 -11.982 -8.847 1.00 0.00 O ATOM 520 NE2 GLN A 33 7.887 -11.776 -6.697 1.00 0.00 N ATOM 0 H GLN A 33 7.690 -7.480 -6.238 1.00 0.00 H new ATOM 0 HA GLN A 33 9.538 -7.429 -8.340 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.047 -8.959 -7.658 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.681 -9.102 -9.286 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.865 -9.831 -8.385 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.261 -9.654 -6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.849 -11.186 -5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.508 -12.723 -6.668 1.00 0.00 H new ATOM 529 N PHE A 34 6.544 -6.235 -9.063 1.00 0.00 N ATOM 530 CA PHE A 34 5.805 -5.420 -10.019 1.00 0.00 C ATOM 531 C PHE A 34 6.542 -4.114 -10.305 1.00 0.00 C ATOM 532 O PHE A 34 6.458 -3.573 -11.408 1.00 0.00 O ATOM 533 CB PHE A 34 4.400 -5.123 -9.491 1.00 0.00 C ATOM 534 CG PHE A 34 3.407 -6.216 -9.770 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.113 -6.588 -11.072 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.769 -6.872 -8.730 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.201 -7.594 -11.332 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.856 -7.877 -8.983 1.00 0.00 C ATOM 539 CZ PHE A 34 1.571 -8.239 -10.285 1.00 0.00 C ATOM 0 H PHE A 34 6.012 -6.499 -8.234 1.00 0.00 H new ATOM 0 HA PHE A 34 5.723 -5.981 -10.950 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.453 -4.958 -8.415 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.042 -4.196 -9.938 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.602 -6.086 -11.894 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.988 -6.594 -7.710 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.981 -7.875 -12.351 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.365 -8.380 -8.163 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.857 -9.025 -10.484 1.00 0.00 H new ATOM 549 N LEU A 35 7.262 -3.610 -9.304 1.00 0.00 N ATOM 550 CA LEU A 35 8.014 -2.365 -9.450 1.00 0.00 C ATOM 551 C LEU A 35 9.269 -2.578 -10.292 1.00 0.00 C ATOM 552 O LEU A 35 9.853 -1.624 -10.807 1.00 0.00 O ATOM 553 CB LEU A 35 8.397 -1.813 -8.076 1.00 0.00 C ATOM 554 CG LEU A 35 7.291 -1.040 -7.358 1.00 0.00 C ATOM 555 CD1 LEU A 35 7.516 -1.059 -5.854 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.224 0.391 -7.870 1.00 0.00 C ATOM 0 H LEU A 35 7.340 -4.044 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 35 7.376 -1.644 -9.961 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.710 -2.643 -7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.260 -1.158 -8.192 1.00 0.00 H new ATOM 0 HG LEU A 35 6.338 -1.526 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.719 -0.504 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.515 -2.090 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.476 -0.597 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.431 0.927 -7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.178 0.887 -7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.015 0.385 -8.940 1.00 0.00 H new ATOM 568 N ASP A 36 9.678 -3.836 -10.426 1.00 0.00 N ATOM 569 CA ASP A 36 10.866 -4.178 -11.203 1.00 0.00 C ATOM 570 C ASP A 36 10.650 -3.875 -12.683 1.00 0.00 C ATOM 571 O ASP A 36 11.573 -3.983 -13.491 1.00 0.00 O ATOM 572 CB ASP A 36 11.220 -5.654 -11.018 1.00 0.00 C ATOM 573 CG ASP A 36 12.640 -5.966 -11.449 1.00 0.00 C ATOM 574 OD1 ASP A 36 13.566 -5.756 -10.638 1.00 0.00 O ATOM 575 OD2 ASP A 36 12.825 -6.422 -12.597 1.00 0.00 O ATOM 0 H ASP A 36 9.204 -4.636 -10.007 1.00 0.00 H new ATOM 0 HA ASP A 36 11.694 -3.569 -10.841 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.093 -5.927 -9.970 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.526 -6.266 -11.593 1.00 0.00 H new ATOM 580 N THR A 37 9.423 -3.497 -13.029 1.00 0.00 N ATOM 581 CA THR A 37 9.075 -3.173 -14.404 1.00 0.00 C ATOM 582 C THR A 37 8.430 -1.796 -14.482 1.00 0.00 C ATOM 583 O THR A 37 7.332 -1.582 -13.969 1.00 0.00 O ATOM 584 CB THR A 37 8.113 -4.216 -15.003 1.00 0.00 C ATOM 585 OG1 THR A 37 7.995 -5.340 -14.121 1.00 0.00 O ATOM 586 CG2 THR A 37 8.603 -4.685 -16.365 1.00 0.00 C ATOM 0 H THR A 37 8.650 -3.408 -12.369 1.00 0.00 H new ATOM 0 HA THR A 37 10.000 -3.178 -14.981 1.00 0.00 H new ATOM 0 HB THR A 37 7.137 -3.747 -15.126 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.069 -5.661 -14.123 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.908 -5.421 -16.768 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.664 -3.834 -17.043 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.590 -5.137 -16.261 1.00 0.00 H new ATOM 594 N ASN A 38 9.125 -0.867 -15.123 1.00 0.00 N ATOM 595 CA ASN A 38 8.631 0.498 -15.269 1.00 0.00 C ATOM 596 C ASN A 38 7.584 0.593 -16.376 1.00 0.00 C ATOM 597 O ASN A 38 7.780 1.287 -17.374 1.00 0.00 O ATOM 598 CB ASN A 38 9.792 1.451 -15.565 1.00 0.00 C ATOM 599 CG ASN A 38 9.440 2.898 -15.282 1.00 0.00 C ATOM 600 OD1 ASN A 38 9.348 3.312 -14.126 1.00 0.00 O ATOM 601 ND2 ASN A 38 9.238 3.676 -16.338 1.00 0.00 N ATOM 0 H ASN A 38 10.035 -1.033 -15.552 1.00 0.00 H new ATOM 0 HA ASN A 38 8.159 0.786 -14.330 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.655 1.166 -14.963 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.085 1.349 -16.610 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.996 4.658 -16.209 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.325 3.292 -17.279 1.00 0.00 H new ATOM 608 N GLU A 39 6.469 -0.110 -16.192 1.00 0.00 N ATOM 609 CA GLU A 39 5.388 -0.101 -17.170 1.00 0.00 C ATOM 610 C GLU A 39 4.103 0.437 -16.549 1.00 0.00 C ATOM 611 O GLU A 39 3.817 0.188 -15.379 1.00 0.00 O ATOM 612 CB GLU A 39 5.154 -1.512 -17.716 1.00 0.00 C ATOM 613 CG GLU A 39 6.128 -1.910 -18.813 1.00 0.00 C ATOM 614 CD GLU A 39 5.818 -1.243 -20.138 1.00 0.00 C ATOM 615 OE1 GLU A 39 6.218 -0.074 -20.323 1.00 0.00 O ATOM 616 OE2 GLU A 39 5.173 -1.888 -20.991 1.00 0.00 O ATOM 0 H GLU A 39 6.292 -0.693 -15.374 1.00 0.00 H new ATOM 0 HA GLU A 39 5.677 0.554 -17.992 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.231 -2.227 -16.897 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.137 -1.579 -18.103 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.141 -1.648 -18.507 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.103 -2.992 -18.941 1.00 0.00 H new ATOM 623 N THR A 40 3.333 1.176 -17.343 1.00 0.00 N ATOM 624 CA THR A 40 2.080 1.753 -16.871 1.00 0.00 C ATOM 625 C THR A 40 1.109 0.674 -16.378 1.00 0.00 C ATOM 626 O THR A 40 0.565 0.789 -15.280 1.00 0.00 O ATOM 627 CB THR A 40 1.395 2.594 -17.966 1.00 0.00 C ATOM 628 OG1 THR A 40 2.373 3.365 -18.675 1.00 0.00 O ATOM 629 CG2 THR A 40 0.353 3.523 -17.362 1.00 0.00 C ATOM 0 H THR A 40 3.555 1.389 -18.315 1.00 0.00 H new ATOM 0 HA THR A 40 2.336 2.403 -16.035 1.00 0.00 H new ATOM 0 HB THR A 40 0.897 1.914 -18.657 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.930 3.895 -19.370 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.117 4.106 -18.154 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.405 2.933 -16.847 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.834 4.196 -16.652 1.00 0.00 H new ATOM 637 N PRO A 41 0.871 -0.390 -17.176 1.00 0.00 N ATOM 638 CA PRO A 41 -0.044 -1.470 -16.787 1.00 0.00 C ATOM 639 C PRO A 41 0.434 -2.213 -15.543 1.00 0.00 C ATOM 640 O PRO A 41 -0.327 -2.953 -14.918 1.00 0.00 O ATOM 641 CB PRO A 41 -0.043 -2.412 -17.998 1.00 0.00 C ATOM 642 CG PRO A 41 0.499 -1.601 -19.126 1.00 0.00 C ATOM 643 CD PRO A 41 1.459 -0.629 -18.506 1.00 0.00 C ATOM 0 HA PRO A 41 -1.032 -1.085 -16.535 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.575 -3.291 -17.813 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.049 -2.770 -18.219 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.001 -2.234 -19.857 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.300 -1.079 -19.652 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.465 -1.044 -18.435 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.534 0.291 -19.086 1.00 0.00 H new ATOM 651 N TYR A 42 1.699 -2.010 -15.188 1.00 0.00 N ATOM 652 CA TYR A 42 2.281 -2.662 -14.020 1.00 0.00 C ATOM 653 C TYR A 42 2.017 -1.853 -12.754 1.00 0.00 C ATOM 654 O TYR A 42 1.809 -2.417 -11.680 1.00 0.00 O ATOM 655 CB TYR A 42 3.784 -2.859 -14.215 1.00 0.00 C ATOM 656 CG TYR A 42 4.141 -4.176 -14.867 1.00 0.00 C ATOM 657 CD1 TYR A 42 3.861 -4.408 -16.208 1.00 0.00 C ATOM 658 CD2 TYR A 42 4.759 -5.189 -14.141 1.00 0.00 C ATOM 659 CE1 TYR A 42 4.184 -5.611 -16.807 1.00 0.00 C ATOM 660 CE2 TYR A 42 5.085 -6.393 -14.735 1.00 0.00 C ATOM 661 CZ TYR A 42 4.796 -6.600 -16.066 1.00 0.00 C ATOM 662 OH TYR A 42 5.120 -7.798 -16.660 1.00 0.00 O ATOM 0 H TYR A 42 2.341 -1.399 -15.693 1.00 0.00 H new ATOM 0 HA TYR A 42 1.808 -3.637 -13.907 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.173 -2.044 -14.825 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.279 -2.797 -13.246 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.383 -3.635 -16.792 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.987 -5.032 -13.097 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.958 -5.776 -17.850 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.565 -7.169 -14.158 1.00 0.00 H new ATOM 0 HH TYR A 42 5.546 -8.385 -16.001 1.00 0.00 H new ATOM 672 N PHE A 43 2.028 -0.530 -12.886 1.00 0.00 N ATOM 673 CA PHE A 43 1.788 0.351 -11.748 1.00 0.00 C ATOM 674 C PHE A 43 0.342 0.242 -11.276 1.00 0.00 C ATOM 675 O PHE A 43 0.037 0.495 -10.110 1.00 0.00 O ATOM 676 CB PHE A 43 2.114 1.800 -12.116 1.00 0.00 C ATOM 677 CG PHE A 43 3.587 2.103 -12.111 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.322 2.016 -10.939 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.234 2.474 -13.278 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.676 2.292 -10.932 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.589 2.752 -13.277 1.00 0.00 C ATOM 682 CZ PHE A 43 6.310 2.661 -12.102 1.00 0.00 C ATOM 0 H PHE A 43 2.200 -0.046 -13.767 1.00 0.00 H new ATOM 0 HA PHE A 43 2.442 0.040 -10.933 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.710 2.015 -13.105 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.612 2.466 -11.415 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.831 1.729 -10.021 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.674 2.547 -14.199 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.238 2.219 -10.012 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.083 3.040 -14.193 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.368 2.878 -12.099 1.00 0.00 H new ATOM 692 N MET A 44 -0.546 -0.136 -12.192 1.00 0.00 N ATOM 693 CA MET A 44 -1.958 -0.287 -11.867 1.00 0.00 C ATOM 694 C MET A 44 -2.162 -1.458 -10.914 1.00 0.00 C ATOM 695 O MET A 44 -3.051 -1.435 -10.062 1.00 0.00 O ATOM 696 CB MET A 44 -2.779 -0.500 -13.142 1.00 0.00 C ATOM 697 CG MET A 44 -2.789 0.706 -14.066 1.00 0.00 C ATOM 698 SD MET A 44 -3.795 0.443 -15.540 1.00 0.00 S ATOM 699 CE MET A 44 -3.789 2.085 -16.253 1.00 0.00 C ATOM 0 H MET A 44 -0.311 -0.343 -13.163 1.00 0.00 H new ATOM 0 HA MET A 44 -2.298 0.626 -11.378 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.380 -1.358 -13.682 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.805 -0.745 -12.867 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.167 1.572 -13.523 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.767 0.938 -14.365 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.372 2.084 -17.174 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.227 2.790 -15.547 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.764 2.382 -16.473 1.00 0.00 H new ATOM 709 N LYS A 45 -1.328 -2.483 -11.067 1.00 0.00 N ATOM 710 CA LYS A 45 -1.404 -3.666 -10.221 1.00 0.00 C ATOM 711 C LYS A 45 -0.842 -3.373 -8.834 1.00 0.00 C ATOM 712 O LYS A 45 -1.266 -3.968 -7.841 1.00 0.00 O ATOM 713 CB LYS A 45 -0.640 -4.827 -10.860 1.00 0.00 C ATOM 714 CG LYS A 45 -1.324 -6.174 -10.686 1.00 0.00 C ATOM 715 CD LYS A 45 -1.444 -6.913 -12.009 1.00 0.00 C ATOM 716 CE LYS A 45 -2.562 -7.942 -11.974 1.00 0.00 C ATOM 717 NZ LYS A 45 -2.317 -9.063 -12.923 1.00 0.00 N ATOM 0 H LYS A 45 -0.591 -2.516 -11.771 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.453 -3.946 -10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.515 -4.627 -11.924 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.358 -4.877 -10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.759 -6.781 -9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.316 -6.027 -10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.631 -6.198 -12.810 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.500 -7.408 -12.237 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.659 -8.337 -10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.508 -7.459 -12.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.102 -9.742 -12.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.249 -8.690 -13.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.428 -9.541 -12.673 1.00 0.00 H new ATOM 731 N SER A 46 0.111 -2.447 -8.771 1.00 0.00 N ATOM 732 CA SER A 46 0.727 -2.073 -7.505 1.00 0.00 C ATOM 733 C SER A 46 -0.288 -1.366 -6.615 1.00 0.00 C ATOM 734 O SER A 46 -0.474 -1.734 -5.455 1.00 0.00 O ATOM 735 CB SER A 46 1.937 -1.170 -7.746 1.00 0.00 C ATOM 736 OG SER A 46 2.388 -1.269 -9.085 1.00 0.00 O ATOM 0 H SER A 46 0.472 -1.944 -9.581 1.00 0.00 H new ATOM 0 HA SER A 46 1.065 -2.979 -7.002 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.673 -0.136 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.743 -1.447 -7.066 1.00 0.00 H new ATOM 0 HG SER A 46 3.314 -0.954 -9.142 1.00 0.00 H new ATOM 742 N ILE A 47 -0.936 -0.341 -7.165 1.00 0.00 N ATOM 743 CA ILE A 47 -1.947 0.400 -6.424 1.00 0.00 C ATOM 744 C ILE A 47 -3.061 -0.535 -5.978 1.00 0.00 C ATOM 745 O ILE A 47 -3.550 -0.444 -4.852 1.00 0.00 O ATOM 746 CB ILE A 47 -2.556 1.537 -7.268 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.456 2.465 -7.786 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.575 2.319 -6.450 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.942 3.456 -8.821 1.00 0.00 C ATOM 0 H ILE A 47 -0.778 -0.008 -8.116 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.455 0.839 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.067 1.098 -8.125 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.026 3.010 -6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.657 1.863 -8.218 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.996 3.118 -7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.373 1.650 -6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.087 2.749 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.110 4.082 -9.144 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.346 2.918 -9.679 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.721 4.083 -8.387 1.00 0.00 H new ATOM 761 N ASP A 48 -3.456 -1.438 -6.874 1.00 0.00 N ATOM 762 CA ASP A 48 -4.505 -2.403 -6.571 1.00 0.00 C ATOM 763 C ASP A 48 -4.079 -3.296 -5.414 1.00 0.00 C ATOM 764 O ASP A 48 -4.914 -3.846 -4.695 1.00 0.00 O ATOM 765 CB ASP A 48 -4.820 -3.253 -7.803 1.00 0.00 C ATOM 766 CG ASP A 48 -6.019 -2.736 -8.573 1.00 0.00 C ATOM 767 OD1 ASP A 48 -7.159 -3.098 -8.211 1.00 0.00 O ATOM 768 OD2 ASP A 48 -5.820 -1.968 -9.537 1.00 0.00 O ATOM 0 H ASP A 48 -3.065 -1.519 -7.813 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.405 -1.859 -6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.950 -3.271 -8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.007 -4.281 -7.493 1.00 0.00 H new ATOM 773 N CYS A 49 -2.768 -3.430 -5.241 1.00 0.00 N ATOM 774 CA CYS A 49 -2.216 -4.246 -4.169 1.00 0.00 C ATOM 775 C CYS A 49 -2.188 -3.458 -2.865 1.00 0.00 C ATOM 776 O CYS A 49 -2.496 -3.993 -1.797 1.00 0.00 O ATOM 777 CB CYS A 49 -0.807 -4.719 -4.527 1.00 0.00 C ATOM 778 SG CYS A 49 -0.763 -6.272 -5.453 1.00 0.00 S ATOM 0 H CYS A 49 -2.068 -2.982 -5.832 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.854 -5.120 -4.038 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.313 -3.944 -5.114 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.231 -4.839 -3.609 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.894 -6.024 -6.722 1.00 0.00 H new ATOM 784 N ILE A 50 -1.812 -2.184 -2.953 1.00 0.00 N ATOM 785 CA ILE A 50 -1.755 -1.323 -1.780 1.00 0.00 C ATOM 786 C ILE A 50 -3.159 -0.999 -1.281 1.00 0.00 C ATOM 787 O ILE A 50 -3.358 -0.711 -0.103 1.00 0.00 O ATOM 788 CB ILE A 50 -0.992 -0.010 -2.087 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.094 0.383 -0.910 1.00 0.00 C ATOM 790 CG2 ILE A 50 -1.957 1.121 -2.423 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.011 1.345 -1.288 1.00 0.00 C ATOM 0 H ILE A 50 -1.543 -1.728 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.217 -1.863 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.362 -0.187 -2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.707 0.835 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.349 -0.518 -0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.393 2.030 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.546 0.848 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.622 1.295 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.607 1.579 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.648 0.888 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.575 2.262 -1.685 1.00 0.00 H new ATOM 803 N ARG A 51 -4.131 -1.054 -2.191 1.00 0.00 N ATOM 804 CA ARG A 51 -5.521 -0.764 -1.849 1.00 0.00 C ATOM 805 C ARG A 51 -6.173 -1.962 -1.168 1.00 0.00 C ATOM 806 O ARG A 51 -7.068 -1.805 -0.336 1.00 0.00 O ATOM 807 CB ARG A 51 -6.306 -0.386 -3.107 1.00 0.00 C ATOM 808 CG ARG A 51 -5.992 1.008 -3.621 1.00 0.00 C ATOM 809 CD ARG A 51 -7.229 1.692 -4.183 1.00 0.00 C ATOM 810 NE ARG A 51 -8.390 1.532 -3.310 1.00 0.00 N ATOM 811 CZ ARG A 51 -9.613 1.260 -3.753 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.835 1.117 -5.053 1.00 0.00 N ATOM 813 NH2 ARG A 51 -10.617 1.131 -2.897 1.00 0.00 N ATOM 0 H ARG A 51 -3.980 -1.297 -3.170 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.534 0.076 -1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.090 -1.111 -3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.373 -0.454 -2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.579 1.610 -2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.227 0.947 -4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.024 2.753 -4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.456 1.280 -5.166 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.254 1.635 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.066 1.216 -5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.775 0.908 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.451 1.241 -1.897 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.555 0.922 -3.239 1.00 0.00 H new ATOM 827 N ALA A 52 -5.712 -3.158 -1.522 1.00 0.00 N ATOM 828 CA ALA A 52 -6.247 -4.380 -0.940 1.00 0.00 C ATOM 829 C ALA A 52 -5.609 -4.637 0.416 1.00 0.00 C ATOM 830 O ALA A 52 -6.249 -5.151 1.333 1.00 0.00 O ATOM 831 CB ALA A 52 -6.010 -5.559 -1.873 1.00 0.00 C ATOM 0 H ALA A 52 -4.971 -3.305 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.322 -4.261 -0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.416 -6.466 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.505 -5.374 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.940 -5.683 -2.038 1.00 0.00 H new ATOM 837 N PHE A 53 -4.337 -4.271 0.529 1.00 0.00 N ATOM 838 CA PHE A 53 -3.593 -4.446 1.769 1.00 0.00 C ATOM 839 C PHE A 53 -3.970 -3.368 2.782 1.00 0.00 C ATOM 840 O PHE A 53 -4.277 -3.668 3.936 1.00 0.00 O ATOM 841 CB PHE A 53 -2.090 -4.398 1.489 1.00 0.00 C ATOM 842 CG PHE A 53 -1.269 -5.226 2.435 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.091 -4.830 3.751 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.670 -6.400 2.005 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.332 -5.589 4.620 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.091 -7.162 2.871 1.00 0.00 C ATOM 847 CZ PHE A 53 0.260 -6.756 4.180 1.00 0.00 C ATOM 0 H PHE A 53 -3.798 -3.849 -0.228 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.848 -5.419 2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.909 -4.741 0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.753 -3.363 1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.551 -3.918 4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.799 -6.722 0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.202 -5.270 5.643 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.553 -8.074 2.524 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.854 -7.350 4.858 1.00 0.00 H new ATOM 857 N ARG A 54 -3.935 -2.111 2.344 1.00 0.00 N ATOM 858 CA ARG A 54 -4.275 -0.984 3.212 1.00 0.00 C ATOM 859 C ARG A 54 -5.630 -1.188 3.879 1.00 0.00 C ATOM 860 O ARG A 54 -5.779 -0.959 5.077 1.00 0.00 O ATOM 861 CB ARG A 54 -4.289 0.322 2.415 1.00 0.00 C ATOM 862 CG ARG A 54 -4.268 1.571 3.280 1.00 0.00 C ATOM 863 CD ARG A 54 -5.591 2.317 3.211 1.00 0.00 C ATOM 864 NE ARG A 54 -5.727 3.293 4.289 1.00 0.00 N ATOM 865 CZ ARG A 54 -6.669 4.231 4.319 1.00 0.00 C ATOM 866 NH1 ARG A 54 -7.553 4.320 3.334 1.00 0.00 N ATOM 867 NH2 ARG A 54 -6.727 5.083 5.334 1.00 0.00 N ATOM 0 H ARG A 54 -3.675 -1.847 1.394 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.512 -0.926 3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.427 0.339 1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.179 0.343 1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.057 1.296 4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.461 2.227 2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.671 2.825 2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.413 1.603 3.263 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.062 3.253 5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.511 3.668 2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.274 5.041 3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.048 5.019 6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.450 5.802 5.356 1.00 0.00 H new ATOM 881 N GLU A 55 -6.613 -1.618 3.096 1.00 0.00 N ATOM 882 CA GLU A 55 -7.960 -1.842 3.611 1.00 0.00 C ATOM 883 C GLU A 55 -7.984 -2.959 4.650 1.00 0.00 C ATOM 884 O GLU A 55 -8.465 -2.769 5.768 1.00 0.00 O ATOM 885 CB GLU A 55 -8.914 -2.179 2.464 1.00 0.00 C ATOM 886 CG GLU A 55 -9.502 -0.954 1.784 1.00 0.00 C ATOM 887 CD GLU A 55 -10.498 -1.312 0.698 1.00 0.00 C ATOM 888 OE1 GLU A 55 -10.061 -1.616 -0.432 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.715 -1.289 0.977 1.00 0.00 O ATOM 0 H GLU A 55 -6.503 -1.819 2.102 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.286 -0.922 4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.382 -2.776 1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.726 -2.797 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.993 -0.329 2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.696 -0.361 1.352 1.00 0.00 H new ATOM 896 N GLU A 56 -7.457 -4.122 4.279 1.00 0.00 N ATOM 897 CA GLU A 56 -7.437 -5.275 5.174 1.00 0.00 C ATOM 898 C GLU A 56 -6.575 -5.012 6.406 1.00 0.00 C ATOM 899 O GLU A 56 -6.746 -5.658 7.441 1.00 0.00 O ATOM 900 CB GLU A 56 -6.920 -6.510 4.432 1.00 0.00 C ATOM 901 CG GLU A 56 -7.917 -7.082 3.437 1.00 0.00 C ATOM 902 CD GLU A 56 -7.913 -8.598 3.415 1.00 0.00 C ATOM 903 OE1 GLU A 56 -8.593 -9.207 4.269 1.00 0.00 O ATOM 904 OE2 GLU A 56 -7.232 -9.178 2.542 1.00 0.00 O ATOM 0 H GLU A 56 -7.038 -4.291 3.365 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.459 -5.454 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.002 -6.250 3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.663 -7.280 5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.917 -6.728 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.686 -6.707 2.440 1.00 0.00 H new ATOM 911 N ALA A 57 -5.654 -4.059 6.295 1.00 0.00 N ATOM 912 CA ALA A 57 -4.765 -3.726 7.401 1.00 0.00 C ATOM 913 C ALA A 57 -5.407 -2.709 8.337 1.00 0.00 C ATOM 914 O ALA A 57 -5.587 -2.975 9.529 1.00 0.00 O ATOM 915 CB ALA A 57 -3.442 -3.193 6.872 1.00 0.00 C ATOM 0 H ALA A 57 -5.505 -3.505 5.452 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.579 -4.637 7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.788 -2.948 7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.967 -3.951 6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.622 -2.297 6.278 1.00 0.00 H new ATOM 921 N ILE A 58 -5.751 -1.545 7.794 1.00 0.00 N ATOM 922 CA ILE A 58 -6.369 -0.490 8.588 1.00 0.00 C ATOM 923 C ILE A 58 -7.641 -0.993 9.257 1.00 0.00 C ATOM 924 O ILE A 58 -7.917 -0.664 10.411 1.00 0.00 O ATOM 925 CB ILE A 58 -6.700 0.755 7.737 1.00 0.00 C ATOM 926 CG1 ILE A 58 -7.735 0.418 6.661 1.00 0.00 C ATOM 927 CG2 ILE A 58 -5.434 1.313 7.104 1.00 0.00 C ATOM 928 CD1 ILE A 58 -9.125 0.931 6.976 1.00 0.00 C ATOM 0 H ILE A 58 -5.613 -1.310 6.811 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.643 -0.203 9.349 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.127 1.515 8.391 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.408 0.838 5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.776 -0.664 6.534 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.682 2.190 6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.729 1.594 7.887 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.982 0.555 6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.806 0.656 6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.472 0.491 7.911 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.099 2.016 7.074 1.00 0.00 H new ATOM 940 N LYS A 59 -8.415 -1.787 8.523 1.00 0.00 N ATOM 941 CA LYS A 59 -9.653 -2.343 9.049 1.00 0.00 C ATOM 942 C LYS A 59 -9.406 -3.035 10.385 1.00 0.00 C ATOM 943 O LYS A 59 -10.048 -2.710 11.384 1.00 0.00 O ATOM 944 CB LYS A 59 -10.270 -3.322 8.049 1.00 0.00 C ATOM 945 CG LYS A 59 -11.206 -2.662 7.049 1.00 0.00 C ATOM 946 CD LYS A 59 -12.004 -3.693 6.268 1.00 0.00 C ATOM 947 CE LYS A 59 -13.205 -3.065 5.583 1.00 0.00 C ATOM 948 NZ LYS A 59 -13.883 -4.022 4.665 1.00 0.00 N ATOM 0 H LYS A 59 -8.205 -2.059 7.563 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.354 -1.524 9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.470 -3.827 7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.818 -4.089 8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.889 -1.994 7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.628 -2.048 6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.363 -4.162 5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.339 -4.482 6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.914 -2.720 6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.885 -2.188 5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.697 -3.556 4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.215 -4.332 3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.211 -4.848 5.205 1.00 0.00 H new ATOM 962 N PHE A 60 -8.467 -3.984 10.403 1.00 0.00 N ATOM 963 CA PHE A 60 -8.140 -4.710 11.629 1.00 0.00 C ATOM 964 C PHE A 60 -7.018 -5.715 11.382 1.00 0.00 C ATOM 965 O PHE A 60 -7.262 -6.887 11.099 1.00 0.00 O ATOM 966 CB PHE A 60 -9.378 -5.413 12.214 1.00 0.00 C ATOM 967 CG PHE A 60 -10.066 -6.376 11.280 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.873 -5.912 10.254 1.00 0.00 C ATOM 969 CD2 PHE A 60 -9.912 -7.745 11.437 1.00 0.00 C ATOM 970 CE1 PHE A 60 -11.508 -6.794 9.400 1.00 0.00 C ATOM 971 CE2 PHE A 60 -10.546 -8.631 10.588 1.00 0.00 C ATOM 972 CZ PHE A 60 -11.345 -8.155 9.567 1.00 0.00 C ATOM 0 H PHE A 60 -7.924 -4.265 9.587 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.794 -3.980 12.361 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.080 -5.953 13.113 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.097 -4.653 12.522 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.008 -4.849 10.120 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.288 -8.123 12.233 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -12.132 -6.419 8.602 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.417 -9.695 10.722 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.841 -8.845 8.901 1.00 0.00 H new ATOM 982 N SER A 61 -5.780 -5.247 11.489 1.00 0.00 N ATOM 983 CA SER A 61 -4.625 -6.109 11.282 1.00 0.00 C ATOM 984 C SER A 61 -3.343 -5.433 11.748 1.00 0.00 C ATOM 985 O SER A 61 -3.048 -5.406 12.943 1.00 0.00 O ATOM 986 CB SER A 61 -4.514 -6.508 9.808 1.00 0.00 C ATOM 987 OG SER A 61 -5.003 -7.820 9.596 1.00 0.00 O ATOM 0 H SER A 61 -5.552 -4.279 11.717 1.00 0.00 H new ATOM 0 HA SER A 61 -4.766 -7.010 11.880 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.076 -5.804 9.194 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.473 -6.449 9.490 1.00 0.00 H new ATOM 0 HG SER A 61 -4.405 -8.297 8.984 1.00 0.00 H new ATOM 993 N GLU A 62 -2.583 -4.887 10.807 1.00 0.00 N ATOM 994 CA GLU A 62 -1.329 -4.223 11.137 1.00 0.00 C ATOM 995 C GLU A 62 -1.248 -2.853 10.476 1.00 0.00 C ATOM 996 O GLU A 62 -0.401 -2.614 9.617 1.00 0.00 O ATOM 997 CB GLU A 62 -0.142 -5.084 10.704 1.00 0.00 C ATOM 998 CG GLU A 62 0.016 -6.356 11.520 1.00 0.00 C ATOM 999 CD GLU A 62 1.280 -7.118 11.174 1.00 0.00 C ATOM 1000 OE1 GLU A 62 2.371 -6.683 11.598 1.00 0.00 O ATOM 1001 OE2 GLU A 62 1.179 -8.150 10.476 1.00 0.00 O ATOM 0 H GLU A 62 -2.812 -4.891 9.813 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.293 -4.086 12.218 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.260 -5.349 9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.772 -4.495 10.784 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.027 -6.104 12.580 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.848 -6.999 11.354 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.148 -1.963 10.875 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.179 -0.609 10.329 1.00 0.00 C ATOM 1010 C GLU A 63 -0.818 0.075 10.463 1.00 0.00 C ATOM 1011 O GLU A 63 -0.397 0.816 9.572 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.249 0.223 11.038 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.202 0.111 12.553 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.200 -0.892 13.095 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.362 -0.879 12.638 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -3.820 -1.692 13.976 1.00 0.00 O ATOM 0 H GLU A 63 -2.866 -2.153 11.574 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.422 -0.682 9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.130 1.269 10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.232 -0.092 10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.197 -0.179 12.861 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.400 1.089 12.992 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.131 -0.186 11.572 1.00 0.00 N ATOM 1024 CA GLN A 64 1.180 0.410 11.827 1.00 0.00 C ATOM 1025 C GLN A 64 2.200 -0.048 10.792 1.00 0.00 C ATOM 1026 O GLN A 64 3.197 0.633 10.542 1.00 0.00 O ATOM 1027 CB GLN A 64 1.662 0.052 13.233 1.00 0.00 C ATOM 1028 CG GLN A 64 2.169 1.247 14.024 1.00 0.00 C ATOM 1029 CD GLN A 64 2.315 0.948 15.503 1.00 0.00 C ATOM 1030 OE1 GLN A 64 3.323 0.394 15.940 1.00 0.00 O ATOM 1031 NE2 GLN A 64 1.305 1.316 16.283 1.00 0.00 N ATOM 0 H GLN A 64 -0.460 -0.808 12.311 1.00 0.00 H new ATOM 0 HA GLN A 64 1.079 1.493 11.751 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.844 -0.415 13.781 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.459 -0.688 13.158 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.133 1.560 13.624 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.482 2.083 13.892 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.488 1.773 15.878 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.346 1.142 17.287 1.00 0.00 H new ATOM 1040 N ARG A 65 1.946 -1.205 10.191 1.00 0.00 N ATOM 1041 CA ARG A 65 2.839 -1.748 9.177 1.00 0.00 C ATOM 1042 C ARG A 65 2.706 -0.950 7.885 1.00 0.00 C ATOM 1043 O ARG A 65 3.606 -0.951 7.042 1.00 0.00 O ATOM 1044 CB ARG A 65 2.524 -3.225 8.925 1.00 0.00 C ATOM 1045 CG ARG A 65 3.280 -3.820 7.748 1.00 0.00 C ATOM 1046 CD ARG A 65 3.022 -5.312 7.618 1.00 0.00 C ATOM 1047 NE ARG A 65 4.259 -6.066 7.434 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.608 -7.107 8.185 1.00 0.00 C ATOM 1049 NH1 ARG A 65 3.816 -7.517 9.167 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.750 -7.739 7.953 1.00 0.00 N ATOM 0 H ARG A 65 1.130 -1.784 10.389 1.00 0.00 H new ATOM 0 HA ARG A 65 3.866 -1.671 9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.760 -3.796 9.823 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.454 -3.334 8.750 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.980 -3.316 6.829 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.348 -3.644 7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.508 -5.670 8.510 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.358 -5.493 6.773 1.00 0.00 H new ATOM 0 HE ARG A 65 4.891 -5.778 6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.936 -7.034 9.348 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.087 -8.316 9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.361 -7.427 7.198 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.017 -8.537 8.529 1.00 0.00 H new ATOM 1064 N PHE A 66 1.582 -0.252 7.747 1.00 0.00 N ATOM 1065 CA PHE A 66 1.330 0.552 6.561 1.00 0.00 C ATOM 1066 C PHE A 66 1.894 1.955 6.737 1.00 0.00 C ATOM 1067 O PHE A 66 2.577 2.465 5.853 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.162 0.611 6.239 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.459 0.228 4.818 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -0.428 -1.101 4.428 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.751 1.195 3.869 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -0.685 -1.458 3.119 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -1.007 0.843 2.559 1.00 0.00 C ATOM 1074 CZ PHE A 66 -0.974 -0.485 2.184 1.00 0.00 C ATOM 0 H PHE A 66 0.835 -0.229 8.441 1.00 0.00 H new ATOM 0 HA PHE A 66 1.835 0.076 5.721 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.702 -0.055 6.912 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.531 1.620 6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.200 -1.866 5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.779 2.235 4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.660 -2.498 2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.233 1.606 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.174 -0.762 1.160 1.00 0.00 H new ATOM 1084 N ASN A 67 1.600 2.582 7.876 1.00 0.00 N ATOM 1085 CA ASN A 67 2.119 3.917 8.152 1.00 0.00 C ATOM 1086 C ASN A 67 3.637 3.855 8.224 1.00 0.00 C ATOM 1087 O ASN A 67 4.328 4.868 8.112 1.00 0.00 O ATOM 1088 CB ASN A 67 1.548 4.488 9.456 1.00 0.00 C ATOM 1089 CG ASN A 67 1.306 3.440 10.510 1.00 0.00 C ATOM 1090 OD1 ASN A 67 2.235 3.015 11.197 1.00 0.00 O ATOM 1091 ND2 ASN A 67 0.053 3.029 10.655 1.00 0.00 N ATOM 0 H ASN A 67 1.013 2.191 8.613 1.00 0.00 H new ATOM 0 HA ASN A 67 1.811 4.582 7.345 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.236 5.236 9.849 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.610 5.000 9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.176 2.330 11.361 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.682 3.412 10.060 1.00 0.00 H new ATOM 1098 N ASN A 68 4.141 2.638 8.412 1.00 0.00 N ATOM 1099 CA ASN A 68 5.577 2.412 8.485 1.00 0.00 C ATOM 1100 C ASN A 68 6.169 2.429 7.081 1.00 0.00 C ATOM 1101 O ASN A 68 7.066 3.218 6.778 1.00 0.00 O ATOM 1102 CB ASN A 68 5.878 1.076 9.167 1.00 0.00 C ATOM 1103 CG ASN A 68 7.366 0.824 9.316 1.00 0.00 C ATOM 1104 OD1 ASN A 68 8.049 0.480 8.351 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.877 0.994 10.530 1.00 0.00 N ATOM 0 H ASN A 68 3.575 1.796 8.516 1.00 0.00 H new ATOM 0 HA ASN A 68 6.029 3.208 9.077 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.409 1.060 10.151 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.432 0.267 8.588 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.872 0.839 10.691 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.274 1.280 11.302 1.00 0.00 H new ATOM 1112 N PHE A 69 5.653 1.549 6.228 1.00 0.00 N ATOM 1113 CA PHE A 69 6.109 1.459 4.845 1.00 0.00 C ATOM 1114 C PHE A 69 5.757 2.724 4.061 1.00 0.00 C ATOM 1115 O PHE A 69 6.454 3.088 3.117 1.00 0.00 O ATOM 1116 CB PHE A 69 5.491 0.237 4.163 1.00 0.00 C ATOM 1117 CG PHE A 69 6.338 -0.327 3.059 1.00 0.00 C ATOM 1118 CD1 PHE A 69 6.203 0.136 1.759 1.00 0.00 C ATOM 1119 CD2 PHE A 69 7.268 -1.320 3.320 1.00 0.00 C ATOM 1120 CE1 PHE A 69 6.981 -0.381 0.742 1.00 0.00 C ATOM 1121 CE2 PHE A 69 8.049 -1.841 2.305 1.00 0.00 C ATOM 1122 CZ PHE A 69 7.906 -1.371 1.014 1.00 0.00 C ATOM 0 H PHE A 69 4.917 0.886 6.471 1.00 0.00 H new ATOM 0 HA PHE A 69 7.194 1.356 4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.320 -0.538 4.910 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.517 0.511 3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.482 0.909 1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.384 -1.691 4.327 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.867 -0.012 -0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.770 -2.615 2.521 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.515 -1.776 0.220 1.00 0.00 H new ATOM 1132 N LEU A 70 4.671 3.385 4.456 1.00 0.00 N ATOM 1133 CA LEU A 70 4.235 4.608 3.785 1.00 0.00 C ATOM 1134 C LEU A 70 5.235 5.733 4.020 1.00 0.00 C ATOM 1135 O LEU A 70 5.690 6.381 3.077 1.00 0.00 O ATOM 1136 CB LEU A 70 2.846 5.042 4.281 1.00 0.00 C ATOM 1137 CG LEU A 70 1.646 4.521 3.472 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.382 5.288 3.842 1.00 0.00 C ATOM 1139 CD2 LEU A 70 1.902 4.627 1.975 1.00 0.00 C ATOM 0 H LEU A 70 4.079 3.096 5.234 1.00 0.00 H new ATOM 0 HA LEU A 70 4.176 4.398 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.732 4.713 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.809 6.131 4.287 1.00 0.00 H new ATOM 0 HG LEU A 70 1.509 3.468 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.458 4.907 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.176 5.159 4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.523 6.347 3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.036 4.251 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.074 5.670 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.780 4.036 1.713 1.00 0.00 H new ATOM 1151 N LYS A 71 5.567 5.965 5.287 1.00 0.00 N ATOM 1152 CA LYS A 71 6.518 7.009 5.651 1.00 0.00 C ATOM 1153 C LYS A 71 7.848 6.810 4.934 1.00 0.00 C ATOM 1154 O LYS A 71 8.437 7.765 4.421 1.00 0.00 O ATOM 1155 CB LYS A 71 6.739 7.020 7.165 1.00 0.00 C ATOM 1156 CG LYS A 71 5.837 7.991 7.907 1.00 0.00 C ATOM 1157 CD LYS A 71 6.136 8.000 9.397 1.00 0.00 C ATOM 1158 CE LYS A 71 5.077 8.765 10.174 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.587 10.073 10.671 1.00 0.00 N ATOM 0 H LYS A 71 5.191 5.443 6.079 1.00 0.00 H new ATOM 0 HA LYS A 71 6.101 7.968 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.575 6.015 7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.779 7.275 7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.969 8.994 7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.794 7.717 7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.189 6.975 9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.113 8.452 9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.209 8.933 9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.740 8.163 11.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.834 10.563 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.399 9.912 11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.885 10.659 9.865 1.00 0.00 H new ATOM 1173 N ALA A 72 8.317 5.567 4.901 1.00 0.00 N ATOM 1174 CA ALA A 72 9.583 5.244 4.248 1.00 0.00 C ATOM 1175 C ALA A 72 9.468 5.367 2.731 1.00 0.00 C ATOM 1176 O ALA A 72 10.343 5.934 2.076 1.00 0.00 O ATOM 1177 CB ALA A 72 10.033 3.843 4.633 1.00 0.00 C ATOM 0 H ALA A 72 7.841 4.767 5.318 1.00 0.00 H new ATOM 0 HA ALA A 72 10.331 5.961 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.978 3.616 4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.166 3.788 5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.278 3.120 4.323 1.00 0.00 H new ATOM 1183 N LEU A 73 8.388 4.821 2.181 1.00 0.00 N ATOM 1184 CA LEU A 73 8.150 4.868 0.743 1.00 0.00 C ATOM 1185 C LEU A 73 8.164 6.306 0.236 1.00 0.00 C ATOM 1186 O LEU A 73 8.888 6.635 -0.700 1.00 0.00 O ATOM 1187 CB LEU A 73 6.811 4.208 0.405 1.00 0.00 C ATOM 1188 CG LEU A 73 6.366 4.340 -1.054 1.00 0.00 C ATOM 1189 CD1 LEU A 73 7.216 3.456 -1.955 1.00 0.00 C ATOM 1190 CD2 LEU A 73 4.893 3.987 -1.195 1.00 0.00 C ATOM 0 H LEU A 73 7.662 4.340 2.711 1.00 0.00 H new ATOM 0 HA LEU A 73 8.952 4.320 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.874 3.149 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.040 4.640 1.043 1.00 0.00 H new ATOM 0 HG LEU A 73 6.503 5.376 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.885 3.564 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.261 3.755 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.112 2.416 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.593 4.086 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.732 2.960 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.297 4.662 -0.581 1.00 0.00 H new ATOM 1202 N GLN A 74 7.365 7.158 0.868 1.00 0.00 N ATOM 1203 CA GLN A 74 7.280 8.562 0.482 1.00 0.00 C ATOM 1204 C GLN A 74 8.665 9.204 0.449 1.00 0.00 C ATOM 1205 O GLN A 74 9.073 9.774 -0.565 1.00 0.00 O ATOM 1206 CB GLN A 74 6.371 9.323 1.452 1.00 0.00 C ATOM 1207 CG GLN A 74 6.455 10.838 1.324 1.00 0.00 C ATOM 1208 CD GLN A 74 5.518 11.389 0.267 1.00 0.00 C ATOM 1209 OE1 GLN A 74 4.614 12.168 0.568 1.00 0.00 O ATOM 1210 NE2 GLN A 74 5.732 10.987 -0.980 1.00 0.00 N ATOM 0 H GLN A 74 6.765 6.900 1.652 1.00 0.00 H new ATOM 0 HA GLN A 74 6.855 8.614 -0.520 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.340 9.012 1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.629 9.040 2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.219 11.293 2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.479 11.122 1.080 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.494 10.340 -1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.135 11.325 -1.734 1.00 0.00 H new ATOM 1219 N GLU A 75 9.383 9.101 1.563 1.00 0.00 N ATOM 1220 CA GLU A 75 10.719 9.681 1.667 1.00 0.00 C ATOM 1221 C GLU A 75 11.655 9.107 0.606 1.00 0.00 C ATOM 1222 O GLU A 75 12.417 9.840 -0.026 1.00 0.00 O ATOM 1223 CB GLU A 75 11.297 9.430 3.061 1.00 0.00 C ATOM 1224 CG GLU A 75 11.065 10.576 4.031 1.00 0.00 C ATOM 1225 CD GLU A 75 11.685 10.323 5.391 1.00 0.00 C ATOM 1226 OE1 GLU A 75 11.125 9.511 6.157 1.00 0.00 O ATOM 1227 OE2 GLU A 75 12.731 10.937 5.690 1.00 0.00 O ATOM 0 H GLU A 75 9.064 8.622 2.405 1.00 0.00 H new ATOM 0 HA GLU A 75 10.632 10.755 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.854 8.523 3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.369 9.250 2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.480 11.492 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.993 10.736 4.148 1.00 0.00 H new ATOM 1234 N LYS A 76 11.588 7.794 0.416 1.00 0.00 N ATOM 1235 CA LYS A 76 12.434 7.114 -0.558 1.00 0.00 C ATOM 1236 C LYS A 76 12.166 7.617 -1.973 1.00 0.00 C ATOM 1237 O LYS A 76 13.073 8.114 -2.646 1.00 0.00 O ATOM 1238 CB LYS A 76 12.208 5.603 -0.491 1.00 0.00 C ATOM 1239 CG LYS A 76 13.126 4.895 0.491 1.00 0.00 C ATOM 1240 CD LYS A 76 13.126 3.390 0.269 1.00 0.00 C ATOM 1241 CE LYS A 76 13.942 2.671 1.331 1.00 0.00 C ATOM 1242 NZ LYS A 76 15.372 2.537 0.938 1.00 0.00 N ATOM 0 H LYS A 76 10.955 7.178 0.925 1.00 0.00 H new ATOM 0 HA LYS A 76 13.472 7.335 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.172 5.411 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.354 5.178 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.140 5.279 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.808 5.113 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.101 3.019 0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.533 3.166 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.874 3.217 2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.519 1.681 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.893 2.041 1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.440 1.994 0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.783 3.482 0.797 1.00 0.00 H new ATOM 1256 N VAL A 77 10.919 7.491 -2.421 1.00 0.00 N ATOM 1257 CA VAL A 77 10.549 7.927 -3.762 1.00 0.00 C ATOM 1258 C VAL A 77 10.715 9.434 -3.909 1.00 0.00 C ATOM 1259 O VAL A 77 10.775 9.957 -5.022 1.00 0.00 O ATOM 1260 CB VAL A 77 9.103 7.525 -4.134 1.00 0.00 C ATOM 1261 CG1 VAL A 77 8.741 6.179 -3.531 1.00 0.00 C ATOM 1262 CG2 VAL A 77 8.108 8.591 -3.702 1.00 0.00 C ATOM 0 H VAL A 77 10.153 7.093 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 77 11.225 7.419 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 77 9.053 7.437 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.719 5.919 -3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.423 5.417 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.820 6.234 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.100 8.281 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.165 8.725 -2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.345 9.532 -4.197 1.00 0.00 H new ATOM 1272 N GLU A 78 10.788 10.128 -2.778 1.00 0.00 N ATOM 1273 CA GLU A 78 10.957 11.573 -2.782 1.00 0.00 C ATOM 1274 C GLU A 78 12.380 11.935 -3.182 1.00 0.00 C ATOM 1275 O GLU A 78 12.597 12.687 -4.131 1.00 0.00 O ATOM 1276 CB GLU A 78 10.641 12.156 -1.403 1.00 0.00 C ATOM 1277 CG GLU A 78 9.293 12.853 -1.329 1.00 0.00 C ATOM 1278 CD GLU A 78 9.410 14.360 -1.441 1.00 0.00 C ATOM 1279 OE1 GLU A 78 9.764 15.005 -0.433 1.00 0.00 O ATOM 1280 OE2 GLU A 78 9.146 14.897 -2.539 1.00 0.00 O ATOM 0 H GLU A 78 10.733 9.712 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 78 10.263 11.997 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.667 11.354 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.422 12.865 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.652 12.482 -2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.808 12.599 -0.387 1.00 0.00 H new ATOM 1287 N ILE A 79 13.345 11.405 -2.437 1.00 0.00 N ATOM 1288 CA ILE A 79 14.755 11.666 -2.714 1.00 0.00 C ATOM 1289 C ILE A 79 15.257 10.877 -3.926 1.00 0.00 C ATOM 1290 O ILE A 79 16.249 10.153 -3.841 1.00 0.00 O ATOM 1291 CB ILE A 79 15.639 11.340 -1.492 1.00 0.00 C ATOM 1292 CG1 ILE A 79 15.024 11.925 -0.220 1.00 0.00 C ATOM 1293 CG2 ILE A 79 17.049 11.879 -1.695 1.00 0.00 C ATOM 1294 CD1 ILE A 79 14.966 10.944 0.930 1.00 0.00 C ATOM 0 H ILE A 79 13.178 10.793 -1.638 1.00 0.00 H new ATOM 0 HA ILE A 79 14.831 12.730 -2.937 1.00 0.00 H new ATOM 0 HB ILE A 79 15.695 10.257 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.602 12.797 0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.015 12.273 -0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.659 11.640 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.489 11.423 -2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.010 12.961 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.518 11.427 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.363 10.082 0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.975 10.614 1.178 1.00 0.00 H new ATOM 1306 N LYS A 80 14.548 11.007 -5.045 1.00 0.00 N ATOM 1307 CA LYS A 80 14.925 10.342 -6.288 1.00 0.00 C ATOM 1308 C LYS A 80 14.687 8.830 -6.216 1.00 0.00 C ATOM 1309 O LYS A 80 15.346 8.112 -5.462 1.00 0.00 O ATOM 1310 CB LYS A 80 16.380 10.686 -6.647 1.00 0.00 C ATOM 1311 CG LYS A 80 17.340 9.503 -6.678 1.00 0.00 C ATOM 1312 CD LYS A 80 18.569 9.806 -7.519 1.00 0.00 C ATOM 1313 CE LYS A 80 19.547 10.702 -6.775 1.00 0.00 C ATOM 1314 NZ LYS A 80 20.230 11.658 -7.689 1.00 0.00 N ATOM 0 H LYS A 80 13.702 11.572 -5.115 1.00 0.00 H new ATOM 0 HA LYS A 80 14.284 10.712 -7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.392 11.168 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.752 11.416 -5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.645 9.254 -5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 80 16.829 8.628 -7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 80 19.063 8.874 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.265 10.289 -8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 80 19.015 11.256 -6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 80 20.292 10.086 -6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.888 12.250 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.758 11.130 -8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.521 12.263 -8.151 1.00 0.00 H new ATOM 1328 N GLN A 81 13.707 8.377 -6.997 1.00 0.00 N ATOM 1329 CA GLN A 81 13.347 6.961 -7.070 1.00 0.00 C ATOM 1330 C GLN A 81 12.109 6.754 -7.939 1.00 0.00 C ATOM 1331 O GLN A 81 12.220 6.440 -9.124 1.00 0.00 O ATOM 1332 CB GLN A 81 13.100 6.389 -5.671 1.00 0.00 C ATOM 1333 CG GLN A 81 14.178 5.422 -5.213 1.00 0.00 C ATOM 1334 CD GLN A 81 13.928 4.002 -5.682 1.00 0.00 C ATOM 1335 OE1 GLN A 81 13.941 3.720 -6.881 1.00 0.00 O ATOM 1336 NE2 GLN A 81 13.698 3.097 -4.737 1.00 0.00 N ATOM 0 H GLN A 81 13.142 8.979 -7.595 1.00 0.00 H new ATOM 0 HA GLN A 81 14.184 6.432 -7.525 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.033 7.211 -4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.137 5.879 -5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 81 15.145 5.759 -5.587 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.234 5.436 -4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.696 3.374 -3.755 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.523 2.125 -4.993 1.00 0.00 H new ATOM 1345 N LEU A 82 10.932 6.932 -7.345 1.00 0.00 N ATOM 1346 CA LEU A 82 9.678 6.759 -8.071 1.00 0.00 C ATOM 1347 C LEU A 82 8.622 7.751 -7.597 1.00 0.00 C ATOM 1348 O LEU A 82 7.665 7.378 -6.919 1.00 0.00 O ATOM 1349 CB LEU A 82 9.155 5.329 -7.911 1.00 0.00 C ATOM 1350 CG LEU A 82 9.527 4.640 -6.596 1.00 0.00 C ATOM 1351 CD1 LEU A 82 8.389 3.749 -6.122 1.00 0.00 C ATOM 1352 CD2 LEU A 82 10.803 3.831 -6.763 1.00 0.00 C ATOM 0 H LEU A 82 10.821 7.195 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 82 9.880 6.949 -9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.069 5.345 -7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.533 4.727 -8.737 1.00 0.00 H new ATOM 0 HG LEU A 82 9.701 5.407 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.670 3.267 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.495 4.353 -5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.185 2.988 -6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.053 3.348 -5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.655 3.072 -7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.617 4.493 -7.059 1.00 0.00 H new ATOM 1364 N ASN A 83 8.801 9.016 -7.960 1.00 0.00 N ATOM 1365 CA ASN A 83 7.858 10.058 -7.577 1.00 0.00 C ATOM 1366 C ASN A 83 6.549 9.897 -8.346 1.00 0.00 C ATOM 1367 O ASN A 83 5.526 10.484 -7.991 1.00 0.00 O ATOM 1368 CB ASN A 83 8.464 11.440 -7.838 1.00 0.00 C ATOM 1369 CG ASN A 83 7.421 12.542 -7.852 1.00 0.00 C ATOM 1370 OD1 ASN A 83 6.753 12.793 -6.849 1.00 0.00 O ATOM 1371 ND2 ASN A 83 7.277 13.205 -8.994 1.00 0.00 N ATOM 0 H ASN A 83 9.589 9.344 -8.518 1.00 0.00 H new ATOM 0 HA ASN A 83 7.647 9.965 -6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.207 11.658 -7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.988 11.428 -8.794 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.591 13.956 -9.064 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.853 12.963 -9.800 1.00 0.00 H new ATOM 1378 N HIS A 84 6.595 9.088 -9.400 1.00 0.00 N ATOM 1379 CA HIS A 84 5.420 8.839 -10.228 1.00 0.00 C ATOM 1380 C HIS A 84 4.344 8.094 -9.443 1.00 0.00 C ATOM 1381 O HIS A 84 3.165 8.443 -9.508 1.00 0.00 O ATOM 1382 CB HIS A 84 5.805 8.035 -11.473 1.00 0.00 C ATOM 1383 CG HIS A 84 7.164 8.367 -12.007 1.00 0.00 C ATOM 1384 ND1 HIS A 84 8.324 7.811 -11.510 1.00 0.00 N ATOM 1385 CD2 HIS A 84 7.546 9.204 -13.000 1.00 0.00 C ATOM 1386 CE1 HIS A 84 9.360 8.290 -12.175 1.00 0.00 C ATOM 1387 NE2 HIS A 84 8.915 9.137 -13.084 1.00 0.00 N ATOM 0 H HIS A 84 7.435 8.593 -9.701 1.00 0.00 H new ATOM 0 HA HIS A 84 5.017 9.804 -10.536 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.768 6.972 -11.234 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.064 8.213 -12.253 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.895 9.811 -13.612 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.395 8.032 -12.004 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.494 9.658 -13.743 1.00 0.00 H new ATOM 1396 N PHE A 85 4.755 7.068 -8.702 1.00 0.00 N ATOM 1397 CA PHE A 85 3.819 6.278 -7.909 1.00 0.00 C ATOM 1398 C PHE A 85 3.027 7.169 -6.960 1.00 0.00 C ATOM 1399 O PHE A 85 1.878 6.874 -6.631 1.00 0.00 O ATOM 1400 CB PHE A 85 4.554 5.198 -7.113 1.00 0.00 C ATOM 1401 CG PHE A 85 3.636 4.151 -6.542 1.00 0.00 C ATOM 1402 CD1 PHE A 85 2.958 3.278 -7.378 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.449 4.041 -5.172 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.111 2.316 -6.860 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.601 3.080 -4.648 1.00 0.00 C ATOM 1406 CZ PHE A 85 1.933 2.217 -5.494 1.00 0.00 C ATOM 0 H PHE A 85 5.727 6.765 -8.635 1.00 0.00 H new ATOM 0 HA PHE A 85 3.127 5.795 -8.598 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.287 4.715 -7.760 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.107 5.669 -6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.093 3.350 -8.447 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.971 4.713 -4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.589 1.642 -7.523 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.462 3.006 -3.580 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.272 1.465 -5.088 1.00 0.00 H new ATOM 1416 N TRP A 86 3.649 8.260 -6.524 1.00 0.00 N ATOM 1417 CA TRP A 86 2.998 9.190 -5.617 1.00 0.00 C ATOM 1418 C TRP A 86 2.063 10.122 -6.380 1.00 0.00 C ATOM 1419 O TRP A 86 0.949 10.398 -5.932 1.00 0.00 O ATOM 1420 CB TRP A 86 4.040 9.997 -4.844 1.00 0.00 C ATOM 1421 CG TRP A 86 3.460 10.737 -3.684 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.314 12.086 -3.565 1.00 0.00 C ATOM 1423 CD2 TRP A 86 2.941 10.166 -2.479 1.00 0.00 C ATOM 1424 NE1 TRP A 86 2.736 12.393 -2.356 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.497 11.229 -1.670 1.00 0.00 C ATOM 1426 CE3 TRP A 86 2.809 8.857 -2.006 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 1.930 11.023 -0.416 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.247 8.654 -0.760 1.00 0.00 C ATOM 1429 CH2 TRP A 86 1.813 9.732 0.022 1.00 0.00 C ATOM 0 H TRP A 86 4.601 8.519 -6.785 1.00 0.00 H new ATOM 0 HA TRP A 86 2.404 8.616 -4.906 1.00 0.00 H new ATOM 0 HB2 TRP A 86 4.820 9.325 -4.486 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.516 10.707 -5.520 1.00 0.00 H new ATOM 0 HD1 TRP A 86 3.609 12.809 -4.311 1.00 0.00 H new ATOM 0 HE1 TRP A 86 2.520 13.333 -2.023 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.140 8.020 -2.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 1.594 11.852 0.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.141 7.648 -0.383 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.377 9.540 0.991 1.00 0.00 H new ATOM 1440 N GLU A 87 2.519 10.602 -7.535 1.00 0.00 N ATOM 1441 CA GLU A 87 1.708 11.488 -8.362 1.00 0.00 C ATOM 1442 C GLU A 87 0.445 10.762 -8.808 1.00 0.00 C ATOM 1443 O GLU A 87 -0.576 11.381 -9.100 1.00 0.00 O ATOM 1444 CB GLU A 87 2.502 11.959 -9.582 1.00 0.00 C ATOM 1445 CG GLU A 87 3.354 13.190 -9.316 1.00 0.00 C ATOM 1446 CD GLU A 87 4.103 13.658 -10.548 1.00 0.00 C ATOM 1447 OE1 GLU A 87 5.065 12.974 -10.953 1.00 0.00 O ATOM 1448 OE2 GLU A 87 3.725 14.708 -11.108 1.00 0.00 O ATOM 0 H GLU A 87 3.441 10.393 -7.917 1.00 0.00 H new ATOM 0 HA GLU A 87 1.431 12.362 -7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.146 11.148 -9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.809 12.176 -10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.717 13.997 -8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.069 12.968 -8.523 1.00 0.00 H new ATOM 1455 N ILE A 88 0.537 9.438 -8.843 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.592 8.600 -9.230 1.00 0.00 C ATOM 1457 C ILE A 88 -1.472 8.331 -8.016 1.00 0.00 C ATOM 1458 O ILE A 88 -2.669 8.629 -8.020 1.00 0.00 O ATOM 1459 CB ILE A 88 -0.134 7.262 -9.842 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.780 7.510 -11.042 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.339 6.431 -10.257 1.00 0.00 C ATOM 1462 CD1 ILE A 88 1.739 6.372 -11.318 1.00 0.00 C ATOM 0 H ILE A 88 1.384 8.920 -8.608 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.157 9.138 -9.991 1.00 0.00 H new ATOM 0 HB ILE A 88 0.427 6.709 -9.088 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.166 7.680 -11.927 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.351 8.422 -10.871 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.000 5.489 -10.688 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.960 6.229 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.922 6.979 -10.997 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.356 6.617 -12.183 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.378 6.216 -10.449 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.175 5.462 -11.521 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.863 7.749 -6.984 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.563 7.459 -5.738 1.00 0.00 C ATOM 1476 C VAL A 89 -2.371 8.675 -5.287 1.00 0.00 C ATOM 1477 O VAL A 89 -3.450 8.542 -4.704 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.568 7.050 -4.627 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -1.147 7.297 -3.241 1.00 0.00 C ATOM 1480 CG2 VAL A 89 -0.167 5.591 -4.786 1.00 0.00 C ATOM 0 H VAL A 89 0.118 7.469 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.242 6.626 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 89 0.321 7.672 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.421 6.998 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.376 8.356 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.059 6.713 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.534 5.318 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.054 4.961 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.307 5.448 -5.757 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.846 9.861 -5.582 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.518 11.100 -5.224 1.00 0.00 C ATOM 1492 C VAL A 90 -3.480 11.505 -6.338 1.00 0.00 C ATOM 1493 O VAL A 90 -4.576 12.001 -6.076 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.517 12.242 -4.935 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -0.977 12.846 -6.222 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.167 13.309 -4.070 1.00 0.00 C ATOM 0 H VAL A 90 -0.958 9.987 -6.068 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.077 10.923 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.672 11.819 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.276 13.646 -5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.465 12.076 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.802 13.250 -6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.450 14.106 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.034 13.719 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.485 12.868 -3.125 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.046 11.295 -7.583 1.00 0.00 N ATOM 1507 CA GLN A 91 -3.872 11.605 -8.748 1.00 0.00 C ATOM 1508 C GLN A 91 -5.278 11.058 -8.554 1.00 0.00 C ATOM 1509 O GLN A 91 -6.250 11.625 -9.054 1.00 0.00 O ATOM 1510 CB GLN A 91 -3.256 11.015 -10.020 1.00 0.00 C ATOM 1511 CG GLN A 91 -4.164 11.098 -11.237 1.00 0.00 C ATOM 1512 CD GLN A 91 -3.396 11.043 -12.544 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -2.279 11.550 -12.641 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -3.994 10.427 -13.556 1.00 0.00 N ATOM 0 H GLN A 91 -2.128 10.912 -7.808 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.921 12.689 -8.855 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.324 11.537 -10.237 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.001 9.971 -9.839 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -4.881 10.278 -11.207 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -4.737 12.024 -11.195 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.921 10.021 -13.430 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.526 10.360 -14.460 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.382 9.955 -7.819 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.683 9.358 -7.546 1.00 0.00 C ATOM 1525 C ASP A 92 -7.255 9.959 -6.267 1.00 0.00 C ATOM 1526 O ASP A 92 -8.429 10.326 -6.204 1.00 0.00 O ATOM 1527 CB ASP A 92 -6.554 7.839 -7.406 1.00 0.00 C ATOM 1528 CG ASP A 92 -6.716 7.120 -8.730 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -5.787 7.190 -9.562 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -7.771 6.485 -8.936 1.00 0.00 O ATOM 0 H ASP A 92 -4.590 9.462 -7.406 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.356 9.569 -8.377 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.579 7.598 -6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.306 7.477 -6.705 1.00 0.00 H new ATOM 1535 N GLY A 93 -6.403 10.052 -5.255 1.00 0.00 N ATOM 1536 CA GLY A 93 -6.804 10.653 -3.998 1.00 0.00 C ATOM 1537 C GLY A 93 -6.612 9.735 -2.810 1.00 0.00 C ATOM 1538 O GLY A 93 -7.178 9.972 -1.742 1.00 0.00 O ATOM 0 H GLY A 93 -5.439 9.721 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.230 11.566 -3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.853 10.943 -4.059 1.00 0.00 H new ATOM 1542 N ILE A 94 -5.819 8.681 -2.987 1.00 0.00 N ATOM 1543 CA ILE A 94 -5.561 7.743 -1.903 1.00 0.00 C ATOM 1544 C ILE A 94 -5.049 8.486 -0.676 1.00 0.00 C ATOM 1545 O ILE A 94 -4.218 9.388 -0.788 1.00 0.00 O ATOM 1546 CB ILE A 94 -4.543 6.661 -2.310 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -4.912 6.067 -3.671 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -4.479 5.572 -1.247 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -3.875 5.109 -4.217 1.00 0.00 C ATOM 0 H ILE A 94 -5.348 8.458 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.504 7.249 -1.670 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.558 7.120 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.865 5.546 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.056 6.878 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.756 4.813 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.174 6.009 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.462 5.113 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.205 4.728 -5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.925 5.630 -4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.747 4.278 -3.524 1.00 0.00 H new ATOM 1561 N THR A 95 -5.546 8.104 0.493 1.00 0.00 N ATOM 1562 CA THR A 95 -5.154 8.753 1.736 1.00 0.00 C ATOM 1563 C THR A 95 -4.106 7.952 2.493 1.00 0.00 C ATOM 1564 O THR A 95 -3.515 7.012 1.962 1.00 0.00 O ATOM 1565 CB THR A 95 -6.368 8.986 2.655 1.00 0.00 C ATOM 1566 OG1 THR A 95 -6.850 7.734 3.159 1.00 0.00 O ATOM 1567 CG2 THR A 95 -7.485 9.700 1.906 1.00 0.00 C ATOM 0 H THR A 95 -6.221 7.348 0.606 1.00 0.00 H new ATOM 0 HA THR A 95 -4.723 9.714 1.454 1.00 0.00 H new ATOM 0 HB THR A 95 -6.050 9.614 3.487 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.621 7.892 3.744 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.332 9.854 2.575 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.125 10.665 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.799 9.093 1.057 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.888 8.340 3.744 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.910 7.685 4.598 1.00 0.00 C ATOM 1577 C LEU A 96 -3.610 7.037 5.776 1.00 0.00 C ATOM 1578 O LEU A 96 -4.838 7.052 5.870 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.886 8.694 5.135 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.724 9.066 4.201 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.579 8.491 4.732 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.970 8.592 2.773 1.00 0.00 C ATOM 0 H LEU A 96 -4.382 9.113 4.191 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.394 6.933 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.417 9.609 5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.466 8.293 6.057 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.654 10.153 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.395 8.761 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.776 8.894 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.501 7.405 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.125 8.875 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.082 7.508 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.879 9.054 2.388 1.00 0.00 H new ATOM 1594 N ILE A 97 -2.825 6.471 6.673 1.00 0.00 N ATOM 1595 CA ILE A 97 -3.365 5.851 7.864 1.00 0.00 C ATOM 1596 C ILE A 97 -3.717 6.937 8.875 1.00 0.00 C ATOM 1597 O ILE A 97 -2.833 7.622 9.387 1.00 0.00 O ATOM 1598 CB ILE A 97 -2.356 4.854 8.474 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -2.515 3.473 7.824 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -2.525 4.762 9.985 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -2.219 3.460 6.335 1.00 0.00 C ATOM 0 H ILE A 97 -1.809 6.429 6.597 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.263 5.293 7.599 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.349 5.219 8.273 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.851 2.768 8.323 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.534 3.120 7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.802 4.053 10.389 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.359 5.743 10.430 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.535 4.424 10.218 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.353 2.450 5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.900 4.139 5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.191 3.781 6.166 1.00 0.00 H new ATOM 1613 N THR A 98 -5.011 7.117 9.131 1.00 0.00 N ATOM 1614 CA THR A 98 -5.465 8.137 10.071 1.00 0.00 C ATOM 1615 C THR A 98 -6.256 7.530 11.225 1.00 0.00 C ATOM 1616 O THR A 98 -6.756 6.410 11.126 1.00 0.00 O ATOM 1617 CB THR A 98 -6.338 9.195 9.370 1.00 0.00 C ATOM 1618 OG1 THR A 98 -6.052 9.215 7.967 1.00 0.00 O ATOM 1619 CG2 THR A 98 -6.095 10.575 9.962 1.00 0.00 C ATOM 0 H THR A 98 -5.760 6.572 8.703 1.00 0.00 H new ATOM 0 HA THR A 98 -4.568 8.612 10.468 1.00 0.00 H new ATOM 0 HB THR A 98 -7.384 8.930 9.523 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.612 9.889 7.529 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.722 11.306 9.451 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.342 10.564 11.024 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.047 10.846 9.836 1.00 0.00 H new ATOM 1627 N LYS A 99 -6.346 8.284 12.322 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.078 7.855 13.514 1.00 0.00 C ATOM 1629 C LYS A 99 -8.329 7.061 13.150 1.00 0.00 C ATOM 1630 O LYS A 99 -8.347 5.836 13.253 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.464 9.076 14.358 1.00 0.00 C ATOM 1632 CG LYS A 99 -6.985 9.019 15.797 1.00 0.00 C ATOM 1633 CD LYS A 99 -6.299 10.313 16.207 1.00 0.00 C ATOM 1634 CE LYS A 99 -6.575 10.656 17.661 1.00 0.00 C ATOM 1635 NZ LYS A 99 -5.685 11.746 18.152 1.00 0.00 N ATOM 0 H LYS A 99 -5.916 9.205 12.409 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.423 7.202 14.091 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.057 9.971 13.887 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.549 9.178 14.353 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.832 8.830 16.456 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.294 8.185 15.919 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.224 10.220 16.052 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.644 11.126 15.569 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.616 10.960 17.771 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.435 9.768 18.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.904 11.951 19.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.692 11.447 18.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.837 12.602 17.581 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.374 7.764 12.723 1.00 0.00 N ATOM 1650 CA GLU A 100 -10.632 7.120 12.356 1.00 0.00 C ATOM 1651 C GLU A 100 -10.459 6.198 11.151 1.00 0.00 C ATOM 1652 O GLU A 100 -11.273 5.303 10.923 1.00 0.00 O ATOM 1653 CB GLU A 100 -11.697 8.176 12.054 1.00 0.00 C ATOM 1654 CG GLU A 100 -13.103 7.750 12.442 1.00 0.00 C ATOM 1655 CD GLU A 100 -14.075 8.913 12.480 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -14.117 9.618 13.511 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -14.791 9.120 11.479 1.00 0.00 O ATOM 0 H GLU A 100 -9.375 8.779 12.623 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.953 6.513 13.202 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.446 9.095 12.583 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.677 8.406 10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.462 7.005 11.732 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.077 7.271 13.421 1.00 0.00 H new ATOM 1664 N GLU A 101 -9.399 6.421 10.383 1.00 0.00 N ATOM 1665 CA GLU A 101 -9.132 5.613 9.198 1.00 0.00 C ATOM 1666 C GLU A 101 -8.572 4.240 9.563 1.00 0.00 C ATOM 1667 O GLU A 101 -8.450 3.367 8.703 1.00 0.00 O ATOM 1668 CB GLU A 101 -8.161 6.338 8.268 1.00 0.00 C ATOM 1669 CG GLU A 101 -8.853 7.171 7.202 1.00 0.00 C ATOM 1670 CD GLU A 101 -9.833 6.364 6.374 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -9.475 5.243 5.954 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -10.959 6.853 6.145 1.00 0.00 O ATOM 0 H GLU A 101 -8.711 7.153 10.559 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.082 5.463 8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.516 6.985 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.517 5.604 7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.380 7.998 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.102 7.609 6.544 1.00 0.00 H new ATOM 1679 N ALA A 102 -8.230 4.048 10.834 1.00 0.00 N ATOM 1680 CA ALA A 102 -7.682 2.772 11.285 1.00 0.00 C ATOM 1681 C ALA A 102 -7.944 2.538 12.768 1.00 0.00 C ATOM 1682 O ALA A 102 -7.730 3.423 13.596 1.00 0.00 O ATOM 1683 CB ALA A 102 -6.189 2.712 10.998 1.00 0.00 C ATOM 0 H ALA A 102 -8.322 4.753 11.565 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.187 1.980 10.732 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.791 1.756 11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.020 2.814 9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.685 3.523 11.524 1.00 0.00 H new ATOM 1689 N SER A 103 -8.399 1.331 13.093 1.00 0.00 N ATOM 1690 CA SER A 103 -8.692 0.963 14.473 1.00 0.00 C ATOM 1691 C SER A 103 -9.637 1.966 15.129 1.00 0.00 C ATOM 1692 O SER A 103 -10.285 2.764 14.452 1.00 0.00 O ATOM 1693 CB SER A 103 -7.395 0.860 15.279 1.00 0.00 C ATOM 1694 OG SER A 103 -6.701 -0.338 14.979 1.00 0.00 O ATOM 0 H SER A 103 -8.573 0.589 12.415 1.00 0.00 H new ATOM 0 HA SER A 103 -9.187 -0.008 14.462 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.758 1.717 15.060 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.622 0.895 16.345 1.00 0.00 H new ATOM 0 HG SER A 103 -6.424 -0.329 14.039 1.00 0.00 H new ATOM 1700 N GLY A 104 -9.706 1.911 16.455 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.566 2.809 17.200 1.00 0.00 C ATOM 1702 C GLY A 104 -9.983 4.201 17.308 1.00 0.00 C ATOM 1703 O GLY A 104 -9.524 4.609 18.375 1.00 0.00 O ATOM 0 H GLY A 104 -9.177 1.255 17.030 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.541 2.862 16.715 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.729 2.407 18.200 1.00 0.00 H new ATOM 1707 N SER A 105 -10.007 4.927 16.197 1.00 0.00 N ATOM 1708 CA SER A 105 -9.478 6.283 16.147 1.00 0.00 C ATOM 1709 C SER A 105 -8.103 6.369 16.805 1.00 0.00 C ATOM 1710 O SER A 105 -7.925 7.077 17.796 1.00 0.00 O ATOM 1711 CB SER A 105 -10.444 7.258 16.823 1.00 0.00 C ATOM 1712 OG SER A 105 -10.185 8.592 16.423 1.00 0.00 O ATOM 0 H SER A 105 -10.391 4.595 15.312 1.00 0.00 H new ATOM 0 HA SER A 105 -9.369 6.558 15.098 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.470 6.992 16.570 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.351 7.175 17.906 1.00 0.00 H new ATOM 0 HG SER A 105 -10.817 9.195 16.868 1.00 0.00 H new ATOM 1718 N SER A 106 -7.136 5.635 16.260 1.00 0.00 N ATOM 1719 CA SER A 106 -5.784 5.648 16.811 1.00 0.00 C ATOM 1720 C SER A 106 -4.720 5.962 15.760 1.00 0.00 C ATOM 1721 O SER A 106 -4.280 5.065 15.043 1.00 0.00 O ATOM 1722 CB SER A 106 -5.475 4.315 17.493 1.00 0.00 C ATOM 1723 OG SER A 106 -6.634 3.505 17.581 1.00 0.00 O ATOM 0 H SER A 106 -7.261 5.031 15.448 1.00 0.00 H new ATOM 0 HA SER A 106 -5.751 6.451 17.547 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.701 3.788 16.934 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.079 4.498 18.492 1.00 0.00 H new ATOM 0 HG SER A 106 -6.409 2.658 18.020 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.314 7.238 15.699 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.277 7.728 14.774 1.00 0.00 C ATOM 1731 C VAL A 107 -3.528 9.195 14.429 1.00 0.00 C ATOM 1732 O VAL A 107 -4.585 9.548 13.910 1.00 0.00 O ATOM 1733 CB VAL A 107 -3.172 6.905 13.462 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -2.918 7.807 12.259 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -2.063 5.869 13.578 1.00 0.00 C ATOM 0 H VAL A 107 -4.700 7.969 16.297 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.329 7.613 15.299 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.124 6.397 13.310 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.850 7.199 11.357 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.739 8.517 12.157 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.984 8.350 12.402 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.000 5.298 12.651 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.113 6.372 13.760 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.281 5.194 14.406 1.00 0.00 H new ATOM 1745 N THR A 108 -2.549 10.043 14.721 1.00 0.00 N ATOM 1746 CA THR A 108 -2.672 11.468 14.445 1.00 0.00 C ATOM 1747 C THR A 108 -2.913 11.727 12.960 1.00 0.00 C ATOM 1748 O THR A 108 -2.472 10.957 12.106 1.00 0.00 O ATOM 1749 CB THR A 108 -1.412 12.234 14.892 1.00 0.00 C ATOM 1750 OG1 THR A 108 -1.643 13.646 14.819 1.00 0.00 O ATOM 1751 CG2 THR A 108 -0.216 11.866 14.025 1.00 0.00 C ATOM 0 H THR A 108 -1.664 9.769 15.148 1.00 0.00 H new ATOM 0 HA THR A 108 -3.530 11.827 15.013 1.00 0.00 H new ATOM 0 HB THR A 108 -1.193 11.955 15.923 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.838 14.125 15.107 1.00 0.00 H new ATOM 0 HG21 THR A 108 0.661 12.420 14.361 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.023 10.796 14.107 1.00 0.00 H new ATOM 0 HG23 THR A 108 -0.429 12.118 12.986 1.00 0.00 H new ATOM 1759 N ALA A 109 -3.616 12.816 12.660 1.00 0.00 N ATOM 1760 CA ALA A 109 -3.907 13.180 11.278 1.00 0.00 C ATOM 1761 C ALA A 109 -2.692 13.836 10.635 1.00 0.00 C ATOM 1762 O ALA A 109 -2.560 13.864 9.414 1.00 0.00 O ATOM 1763 CB ALA A 109 -5.111 14.108 11.215 1.00 0.00 C ATOM 0 H ALA A 109 -3.994 13.460 13.355 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.143 12.272 10.723 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.315 14.370 10.177 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -5.980 13.606 11.640 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -4.902 15.014 11.784 1.00 0.00 H new ATOM 1769 N GLU A 110 -1.827 14.383 11.483 1.00 0.00 N ATOM 1770 CA GLU A 110 -0.600 15.038 11.030 1.00 0.00 C ATOM 1771 C GLU A 110 0.085 14.244 9.916 1.00 0.00 C ATOM 1772 O GLU A 110 0.818 14.810 9.107 1.00 0.00 O ATOM 1773 CB GLU A 110 0.362 15.224 12.204 1.00 0.00 C ATOM 1774 CG GLU A 110 0.358 16.633 12.776 1.00 0.00 C ATOM 1775 CD GLU A 110 1.520 16.884 13.717 1.00 0.00 C ATOM 1776 OE1 GLU A 110 1.445 16.446 14.884 1.00 0.00 O ATOM 1777 OE2 GLU A 110 2.506 17.519 13.287 1.00 0.00 O ATOM 0 H GLU A 110 -1.953 14.386 12.495 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.875 16.013 10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.100 14.520 12.993 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.372 14.976 11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.395 17.353 11.959 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.578 16.803 13.308 1.00 0.00 H new ATOM 1784 N GLU A 111 -0.153 12.935 9.878 1.00 0.00 N ATOM 1785 CA GLU A 111 0.434 12.076 8.855 1.00 0.00 C ATOM 1786 C GLU A 111 -0.400 12.117 7.576 1.00 0.00 C ATOM 1787 O GLU A 111 0.124 12.307 6.479 1.00 0.00 O ATOM 1788 CB GLU A 111 0.522 10.634 9.372 1.00 0.00 C ATOM 1789 CG GLU A 111 0.513 9.586 8.271 1.00 0.00 C ATOM 1790 CD GLU A 111 0.959 8.222 8.758 1.00 0.00 C ATOM 1791 OE1 GLU A 111 0.118 7.486 9.317 1.00 0.00 O ATOM 1792 OE2 GLU A 111 2.151 7.888 8.582 1.00 0.00 O ATOM 0 H GLU A 111 -0.750 12.446 10.546 1.00 0.00 H new ATOM 0 HA GLU A 111 1.436 12.441 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.434 10.523 9.959 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.315 10.448 10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.492 9.509 7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.167 9.910 7.461 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.705 11.949 7.739 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.626 11.941 6.610 1.00 0.00 C ATOM 1801 C ALA A 112 -2.795 13.332 6.004 1.00 0.00 C ATOM 1802 O ALA A 112 -3.192 13.470 4.847 1.00 0.00 O ATOM 1803 CB ALA A 112 -3.976 11.385 7.038 1.00 0.00 C ATOM 0 H ALA A 112 -2.152 11.816 8.646 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.199 11.298 5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.656 11.384 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.850 10.366 7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.390 12.006 7.832 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.494 14.358 6.790 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.628 15.738 6.336 1.00 0.00 C ATOM 1811 C LYS A 113 -1.361 16.238 5.645 1.00 0.00 C ATOM 1812 O LYS A 113 -1.424 16.794 4.549 1.00 0.00 O ATOM 1813 CB LYS A 113 -2.966 16.649 7.518 1.00 0.00 C ATOM 1814 CG LYS A 113 -4.377 17.212 7.469 1.00 0.00 C ATOM 1815 CD LYS A 113 -4.547 18.375 8.433 1.00 0.00 C ATOM 1816 CE LYS A 113 -5.870 18.291 9.176 1.00 0.00 C ATOM 1817 NZ LYS A 113 -5.922 19.234 10.329 1.00 0.00 N ATOM 0 H LYS A 113 -2.155 14.261 7.747 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.437 15.765 5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -2.839 16.090 8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.255 17.475 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.603 17.543 6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.092 16.427 7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.725 18.379 9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.495 19.315 7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.687 18.513 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.021 17.272 9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.840 19.145 10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.159 19.007 10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.803 20.209 9.986 1.00 0.00 H new ATOM 1831 N LYS A 114 -0.216 16.036 6.288 1.00 0.00 N ATOM 1832 CA LYS A 114 1.058 16.497 5.746 1.00 0.00 C ATOM 1833 C LYS A 114 1.466 15.733 4.488 1.00 0.00 C ATOM 1834 O LYS A 114 2.159 16.274 3.627 1.00 0.00 O ATOM 1835 CB LYS A 114 2.150 16.370 6.807 1.00 0.00 C ATOM 1836 CG LYS A 114 3.006 17.616 6.948 1.00 0.00 C ATOM 1837 CD LYS A 114 4.424 17.379 6.455 1.00 0.00 C ATOM 1838 CE LYS A 114 5.445 18.085 7.335 1.00 0.00 C ATOM 1839 NZ LYS A 114 5.252 17.766 8.777 1.00 0.00 N ATOM 0 H LYS A 114 -0.144 15.556 7.185 1.00 0.00 H new ATOM 0 HA LYS A 114 0.932 17.542 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.687 16.146 7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.791 15.525 6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.556 18.433 6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.030 17.925 7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.632 16.309 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.518 17.735 5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.450 17.793 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.367 19.162 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.177 17.723 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.670 18.505 9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.774 16.847 8.868 1.00 0.00 H new ATOM 1853 N PHE A 115 1.040 14.480 4.382 1.00 0.00 N ATOM 1854 CA PHE A 115 1.385 13.658 3.225 1.00 0.00 C ATOM 1855 C PHE A 115 0.620 14.089 1.976 1.00 0.00 C ATOM 1856 O PHE A 115 1.206 14.243 0.904 1.00 0.00 O ATOM 1857 CB PHE A 115 1.104 12.185 3.522 1.00 0.00 C ATOM 1858 CG PHE A 115 2.287 11.451 4.090 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.778 11.767 5.347 1.00 0.00 C ATOM 1860 CD2 PHE A 115 2.903 10.443 3.369 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.862 11.089 5.873 1.00 0.00 C ATOM 1862 CE2 PHE A 115 3.985 9.761 3.890 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.465 10.085 5.142 1.00 0.00 C ATOM 0 H PHE A 115 0.459 14.012 5.077 1.00 0.00 H new ATOM 0 HA PHE A 115 2.449 13.795 3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.273 12.116 4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.787 11.691 2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.309 12.552 5.922 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.533 10.187 2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.236 11.344 6.853 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.455 8.975 3.318 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.312 9.554 5.550 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.687 14.283 2.117 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.526 14.688 0.991 1.00 0.00 C ATOM 1875 C LEU A 116 -1.341 16.168 0.668 1.00 0.00 C ATOM 1876 O LEU A 116 -1.474 16.581 -0.484 1.00 0.00 O ATOM 1877 CB LEU A 116 -2.996 14.399 1.297 1.00 0.00 C ATOM 1878 CG LEU A 116 -3.439 12.957 1.035 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -4.450 12.511 2.081 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -4.021 12.825 -0.363 1.00 0.00 C ATOM 0 H LEU A 116 -1.189 14.167 2.997 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.220 14.109 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.188 14.638 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.615 15.068 0.699 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.565 12.309 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.754 11.484 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -3.998 12.568 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.324 13.162 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.331 11.794 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.884 13.484 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.266 13.103 -1.099 1.00 0.00 H new ATOM 1892 N ALA A 117 -1.034 16.962 1.689 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.833 18.396 1.506 1.00 0.00 C ATOM 1894 C ALA A 117 0.639 18.716 1.251 1.00 0.00 C ATOM 1895 O ALA A 117 1.525 17.992 1.703 1.00 0.00 O ATOM 1896 CB ALA A 117 -1.340 19.159 2.720 1.00 0.00 C ATOM 0 H ALA A 117 -0.919 16.638 2.649 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.402 18.710 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.184 20.227 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.404 18.963 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.796 18.834 3.607 1.00 0.00 H new