USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 919 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot 156:sc= 0.352 USER MOD Set 1.2: A 103 CYS SG : rot 95:sc= 0.43 USER MOD Set 1.3: A 104 GLN : amide:sc= 0.692 K(o=1.5,f=-5.5!) USER MOD Set 2.1: A 53 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 66 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-7.3!) USER MOD Set 3.1: A 43 SER OG : rot -57:sc= 0.0231 USER MOD Set 3.2: A 45 SER OG : rot 180:sc= 0.0866 USER MOD Set 4.1: A 20 SER OG : rot 155:sc=-0.00183 USER MOD Set 4.2: A 22 LYS NZ :NH3+ 133:sc= -1.55! (180deg=-2.79!) USER MOD Set 5.1: A 13 LYS NZ :NH3+ 143:sc= 0.91 (180deg=0.279) USER MOD Set 5.2: A 27 GLN : amide:sc= -0.113 K(o=2.3,f=-2.1) USER MOD Set 5.3: A 110 CYS SG : rot -10:sc= 0.839 USER MOD Set 5.4: A 112 ASN : amide:sc= 0.659 K(o=2.3,f=-9.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00323 USER MOD Single : A 18 THR OG1 : rot -56:sc= 0.258 USER MOD Single : A 32 MET CE :methyl 159:sc= -0.185 (180deg=-1.14) USER MOD Single : A 33 ASN : amide:sc= -0.87 K(o=-0.87,f=-3!) USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0831) USER MOD Single : A 37 SER OG : rot -78:sc= 1.12 USER MOD Single : A 46 ASN : amide:sc= -5.78! C(o=-5.8!,f=-9.1!) USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= -0.0442 (180deg=-0.289) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -137:sc= 0.712 (180deg=-0.842!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.02 USER MOD Single : A 59 THR OG1 : rot -18:sc= 0.569 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= -0.59 (180deg=-1.44) USER MOD Single : A 68 LYS NZ :NH3+ 142:sc= 0.943 (180deg=0.179) USER MOD Single : A 71 SER OG : rot 20:sc= -0.976 USER MOD Single : A 74 ASN : amide:sc= 0.0666 K(o=0.067,f=-6!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 167:sc= 0.0222 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -20:sc=0.000724 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 89 GLN : amide:sc= -2.5 X(o=-2.5,f=-2.6!) USER MOD Single : A 93 GLN : amide:sc= -1.13 K(o=-1.1,f=-1.7) USER MOD Single : A 94 HIS : no HE2:sc= -0.156 K(o=-0.16,f=-0.72) USER MOD Single : A 95 TYR OH : rot 150:sc= 0 USER MOD Single : A 96 SER OG : rot 33:sc= 1.26 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -144:sc= 1.1 (180deg=0.322) USER MOD Single : A 105 LYS NZ :NH3+ 146:sc= 0.982 (180deg=0.293) USER MOD Single : A 107 THR OG1 : rot -121:sc= -0.0821 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.623 21.528 -23.357 1.00 0.00 N ATOM 2 CA GLY A 1 -15.053 22.309 -22.200 1.00 0.00 C ATOM 3 C GLY A 1 -16.524 22.088 -21.853 1.00 0.00 C ATOM 4 O GLY A 1 -17.393 22.182 -22.709 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.618 21.716 -23.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.755 20.515 -23.161 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.189 21.796 -24.187 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.438 22.045 -21.340 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.886 23.368 -22.399 1.00 0.00 H new ATOM 10 N SER A 2 -16.735 21.773 -20.553 1.00 0.00 N ATOM 11 CA SER A 2 -18.076 21.545 -20.014 1.00 0.00 C ATOM 12 C SER A 2 -18.734 20.299 -20.645 1.00 0.00 C ATOM 13 O SER A 2 -19.891 20.310 -21.047 1.00 0.00 O ATOM 14 CB SER A 2 -18.923 22.847 -20.193 1.00 0.00 C ATOM 15 OG SER A 2 -18.245 24.163 -20.056 1.00 0.00 O ATOM 0 H SER A 2 -15.987 21.673 -19.867 1.00 0.00 H new ATOM 0 HA SER A 2 -18.015 21.328 -18.948 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.379 22.811 -21.182 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.735 22.816 -19.466 1.00 0.00 H new ATOM 0 HG SER A 2 -18.896 24.882 -20.195 1.00 0.00 H new ATOM 21 N VAL A 3 -17.913 19.232 -20.695 1.00 0.00 N ATOM 22 CA VAL A 3 -18.347 17.960 -21.265 1.00 0.00 C ATOM 23 C VAL A 3 -17.433 16.840 -20.735 1.00 0.00 C ATOM 24 O VAL A 3 -16.261 17.067 -20.459 1.00 0.00 O ATOM 25 CB VAL A 3 -18.333 18.052 -22.808 1.00 0.00 C ATOM 26 CG1 VAL A 3 -16.948 18.391 -23.381 1.00 0.00 C ATOM 27 CG2 VAL A 3 -18.896 16.783 -23.468 1.00 0.00 C ATOM 0 H VAL A 3 -16.954 19.234 -20.348 1.00 0.00 H new ATOM 0 HA VAL A 3 -19.369 17.729 -20.966 1.00 0.00 H new ATOM 0 HB VAL A 3 -18.992 18.885 -23.054 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.006 18.441 -24.468 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -16.619 19.354 -22.991 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -16.235 17.619 -23.091 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -18.866 16.893 -24.552 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -18.295 15.923 -23.174 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -19.927 16.632 -23.147 1.00 0.00 H new ATOM 37 N ALA A 4 -18.069 15.649 -20.613 1.00 0.00 N ATOM 38 CA ALA A 4 -17.498 14.384 -20.138 1.00 0.00 C ATOM 39 C ALA A 4 -18.143 14.037 -18.777 1.00 0.00 C ATOM 40 O ALA A 4 -18.482 14.929 -18.011 1.00 0.00 O ATOM 41 CB ALA A 4 -15.960 14.379 -20.024 1.00 0.00 C ATOM 0 H ALA A 4 -19.053 15.550 -20.861 1.00 0.00 H new ATOM 0 HA ALA A 4 -17.725 13.628 -20.889 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -15.625 13.406 -19.666 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.522 14.576 -21.002 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -15.645 15.152 -19.323 1.00 0.00 H new ATOM 47 N PRO A 5 -18.309 12.705 -18.507 1.00 0.00 N ATOM 48 CA PRO A 5 -18.900 12.231 -17.254 1.00 0.00 C ATOM 49 C PRO A 5 -17.940 12.433 -16.058 1.00 0.00 C ATOM 50 O PRO A 5 -17.781 13.541 -15.560 1.00 0.00 O ATOM 51 CB PRO A 5 -19.254 10.762 -17.549 1.00 0.00 C ATOM 52 CG PRO A 5 -18.247 10.334 -18.619 1.00 0.00 C ATOM 53 CD PRO A 5 -17.968 11.608 -19.419 1.00 0.00 C ATOM 0 HA PRO A 5 -19.786 12.788 -16.948 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -19.169 10.146 -16.654 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -20.279 10.665 -17.907 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -17.335 9.940 -18.170 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -18.654 9.548 -19.255 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.924 11.660 -19.728 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -18.571 11.646 -20.326 1.00 0.00 H new ATOM 61 N VAL A 6 -17.326 11.307 -15.629 1.00 0.00 N ATOM 62 CA VAL A 6 -16.396 11.281 -14.499 1.00 0.00 C ATOM 63 C VAL A 6 -17.180 11.569 -13.195 1.00 0.00 C ATOM 64 O VAL A 6 -16.759 12.292 -12.301 1.00 0.00 O ATOM 65 CB VAL A 6 -15.158 12.179 -14.724 1.00 0.00 C ATOM 66 CG1 VAL A 6 -14.048 11.874 -13.705 1.00 0.00 C ATOM 67 CG2 VAL A 6 -14.590 12.012 -16.146 1.00 0.00 C ATOM 0 H VAL A 6 -17.468 10.395 -16.063 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.963 10.285 -14.403 1.00 0.00 H new ATOM 0 HB VAL A 6 -15.494 13.207 -14.591 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.193 12.524 -13.893 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.422 12.049 -12.696 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -13.741 10.833 -13.802 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.721 12.658 -16.269 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.295 10.974 -16.301 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.351 12.286 -16.876 1.00 0.00 H new ATOM 77 N GLU A 7 -18.374 10.939 -13.202 1.00 0.00 N ATOM 78 CA GLU A 7 -19.348 10.993 -12.116 1.00 0.00 C ATOM 79 C GLU A 7 -19.072 9.896 -11.066 1.00 0.00 C ATOM 80 O GLU A 7 -19.343 10.037 -9.881 1.00 0.00 O ATOM 81 CB GLU A 7 -20.754 10.858 -12.729 1.00 0.00 C ATOM 82 CG GLU A 7 -20.947 9.604 -13.607 1.00 0.00 C ATOM 83 CD GLU A 7 -22.352 9.574 -14.232 1.00 0.00 C ATOM 84 OE1 GLU A 7 -23.294 9.190 -13.541 1.00 0.00 O ATOM 85 OE2 GLU A 7 -22.486 9.927 -15.404 1.00 0.00 O ATOM 0 H GLU A 7 -18.685 10.367 -13.987 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.272 11.945 -11.590 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.488 10.840 -11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -20.962 11.743 -13.330 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.195 9.590 -14.396 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.795 8.708 -13.005 1.00 0.00 H new ATOM 92 N THR A 8 -18.507 8.804 -11.616 1.00 0.00 N ATOM 93 CA THR A 8 -18.111 7.617 -10.873 1.00 0.00 C ATOM 94 C THR A 8 -16.644 7.732 -10.434 1.00 0.00 C ATOM 95 O THR A 8 -15.831 8.361 -11.098 1.00 0.00 O ATOM 96 CB THR A 8 -18.241 6.412 -11.848 1.00 0.00 C ATOM 97 OG1 THR A 8 -17.604 6.553 -13.160 1.00 0.00 O ATOM 98 CG2 THR A 8 -19.723 5.950 -11.911 1.00 0.00 C ATOM 0 H THR A 8 -18.313 8.732 -12.615 1.00 0.00 H new ATOM 0 HA THR A 8 -18.735 7.496 -9.987 1.00 0.00 H new ATOM 0 HB THR A 8 -17.635 5.614 -11.418 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.749 5.737 -13.684 1.00 0.00 H new ATOM 0 HG21 THR A 8 -19.812 5.106 -12.595 1.00 0.00 H new ATOM 0 HG22 THR A 8 -20.053 5.648 -10.917 1.00 0.00 H new ATOM 0 HG23 THR A 8 -20.345 6.771 -12.266 1.00 0.00 H new ATOM 106 N LEU A 9 -16.374 7.091 -9.278 1.00 0.00 N ATOM 107 CA LEU A 9 -15.027 7.078 -8.721 1.00 0.00 C ATOM 108 C LEU A 9 -14.323 5.807 -9.235 1.00 0.00 C ATOM 109 O LEU A 9 -14.251 4.779 -8.572 1.00 0.00 O ATOM 110 CB LEU A 9 -15.092 7.123 -7.184 1.00 0.00 C ATOM 111 CG LEU A 9 -15.451 8.509 -6.610 1.00 0.00 C ATOM 112 CD1 LEU A 9 -16.882 8.962 -6.944 1.00 0.00 C ATOM 113 CD2 LEU A 9 -15.243 8.518 -5.089 1.00 0.00 C ATOM 0 H LEU A 9 -17.068 6.585 -8.727 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.460 7.954 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.829 6.397 -6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.128 6.813 -6.781 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.780 9.222 -7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.064 9.944 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.003 9.017 -8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.595 8.246 -6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.499 9.501 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.882 7.764 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.200 8.296 -4.863 1.00 0.00 H new ATOM 125 N GLU A 10 -13.828 5.979 -10.477 1.00 0.00 N ATOM 126 CA GLU A 10 -13.121 4.954 -11.234 1.00 0.00 C ATOM 127 C GLU A 10 -11.642 4.907 -10.790 1.00 0.00 C ATOM 128 O GLU A 10 -10.717 5.330 -11.472 1.00 0.00 O ATOM 129 CB GLU A 10 -13.324 5.176 -12.753 1.00 0.00 C ATOM 130 CG GLU A 10 -13.644 6.620 -13.204 1.00 0.00 C ATOM 131 CD GLU A 10 -12.512 7.626 -12.924 1.00 0.00 C ATOM 132 OE1 GLU A 10 -11.650 7.803 -13.783 1.00 0.00 O ATOM 133 OE2 GLU A 10 -12.514 8.238 -11.856 1.00 0.00 O ATOM 0 H GLU A 10 -13.917 6.860 -10.984 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.533 3.967 -11.024 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.421 4.850 -13.269 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.134 4.527 -13.087 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.858 6.617 -14.273 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.549 6.956 -12.698 1.00 0.00 H new ATOM 140 N VAL A 11 -11.527 4.329 -9.579 1.00 0.00 N ATOM 141 CA VAL A 11 -10.271 4.129 -8.866 1.00 0.00 C ATOM 142 C VAL A 11 -9.600 2.808 -9.288 1.00 0.00 C ATOM 143 O VAL A 11 -8.381 2.705 -9.359 1.00 0.00 O ATOM 144 CB VAL A 11 -10.568 4.119 -7.350 1.00 0.00 C ATOM 145 CG1 VAL A 11 -11.095 5.480 -6.872 1.00 0.00 C ATOM 146 CG2 VAL A 11 -11.544 2.995 -6.950 1.00 0.00 C ATOM 0 H VAL A 11 -12.335 3.981 -9.063 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.583 4.938 -9.109 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.618 3.921 -6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.294 5.438 -5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.350 6.250 -7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.016 5.720 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.720 3.031 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.489 3.129 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.115 2.029 -7.215 1.00 0.00 H new ATOM 156 N GLU A 12 -10.487 1.815 -9.547 1.00 0.00 N ATOM 157 CA GLU A 12 -10.096 0.465 -9.945 1.00 0.00 C ATOM 158 C GLU A 12 -9.300 -0.192 -8.805 1.00 0.00 C ATOM 159 O GLU A 12 -9.361 0.226 -7.653 1.00 0.00 O ATOM 160 CB GLU A 12 -9.309 0.490 -11.269 1.00 0.00 C ATOM 161 CG GLU A 12 -9.973 1.389 -12.319 1.00 0.00 C ATOM 162 CD GLU A 12 -9.259 1.248 -13.674 1.00 0.00 C ATOM 163 OE1 GLU A 12 -8.081 1.596 -13.755 1.00 0.00 O ATOM 164 OE2 GLU A 12 -9.879 0.781 -14.628 1.00 0.00 O ATOM 0 H GLU A 12 -11.497 1.943 -9.481 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.987 -0.136 -10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.295 0.842 -11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.227 -0.524 -11.660 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.024 1.120 -12.425 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.941 2.428 -11.990 1.00 0.00 H new ATOM 171 N LYS A 13 -8.544 -1.242 -9.190 1.00 0.00 N ATOM 172 CA LYS A 13 -7.719 -1.913 -8.196 1.00 0.00 C ATOM 173 C LYS A 13 -6.354 -1.234 -8.136 1.00 0.00 C ATOM 174 O LYS A 13 -5.574 -1.539 -7.243 1.00 0.00 O ATOM 175 CB LYS A 13 -7.577 -3.405 -8.500 1.00 0.00 C ATOM 176 CG LYS A 13 -8.889 -4.153 -8.257 1.00 0.00 C ATOM 177 CD LYS A 13 -9.111 -4.400 -6.760 1.00 0.00 C ATOM 178 CE LYS A 13 -8.597 -5.750 -6.275 1.00 0.00 C ATOM 179 NZ LYS A 13 -9.071 -6.034 -4.928 1.00 0.00 N ATOM 0 H LYS A 13 -8.495 -1.620 -10.136 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.205 -1.833 -7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.267 -3.538 -9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.792 -3.832 -7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.721 -3.576 -8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.873 -5.105 -8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.618 -3.610 -6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.177 -4.329 -6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.929 -6.535 -6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.507 -5.755 -6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.282 -7.049 -4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.337 -5.773 -4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.933 -5.484 -4.740 1.00 0.00 H new ATOM 193 N TRP A 14 -6.084 -0.307 -9.101 1.00 0.00 N ATOM 194 CA TRP A 14 -4.790 0.363 -9.031 1.00 0.00 C ATOM 195 C TRP A 14 -4.746 1.266 -7.804 1.00 0.00 C ATOM 196 O TRP A 14 -3.813 1.200 -7.018 1.00 0.00 O ATOM 197 CB TRP A 14 -4.290 1.012 -10.339 1.00 0.00 C ATOM 198 CG TRP A 14 -4.646 2.460 -10.667 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.374 2.851 -11.795 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.157 3.687 -10.068 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.339 4.201 -11.921 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.602 4.759 -10.885 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.400 3.967 -8.961 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.271 6.055 -10.568 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.081 5.284 -8.643 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.520 6.329 -9.443 1.00 0.00 C ATOM 0 H TRP A 14 -6.699 -0.036 -9.868 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.038 -0.416 -8.904 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.202 0.939 -10.340 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -4.651 0.397 -11.163 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -5.888 2.178 -12.466 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.789 4.730 -12.668 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.049 3.162 -8.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.601 6.864 -11.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.487 5.494 -7.766 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.276 7.349 -9.187 1.00 0.00 H new ATOM 217 N PHE A 15 -5.813 2.086 -7.657 1.00 0.00 N ATOM 218 CA PHE A 15 -5.839 2.984 -6.510 1.00 0.00 C ATOM 219 C PHE A 15 -6.549 2.333 -5.308 1.00 0.00 C ATOM 220 O PHE A 15 -7.770 2.254 -5.251 1.00 0.00 O ATOM 221 CB PHE A 15 -6.439 4.341 -6.902 1.00 0.00 C ATOM 222 CG PHE A 15 -6.108 5.411 -5.892 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.779 5.690 -5.576 1.00 0.00 C ATOM 224 CD2 PHE A 15 -7.115 6.137 -5.263 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.460 6.675 -4.654 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.797 7.126 -4.338 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.469 7.397 -4.034 1.00 0.00 C ATOM 0 H PHE A 15 -6.616 2.137 -8.284 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.815 3.174 -6.188 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.062 4.636 -7.881 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.521 4.248 -6.992 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.988 5.132 -6.055 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.150 5.931 -5.494 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.426 6.880 -4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.585 7.685 -3.855 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.223 8.167 -3.318 1.00 0.00 H new ATOM 237 N PHE A 16 -5.689 1.880 -4.359 1.00 0.00 N ATOM 238 CA PHE A 16 -6.108 1.234 -3.110 1.00 0.00 C ATOM 239 C PHE A 16 -5.579 2.056 -1.921 1.00 0.00 C ATOM 240 O PHE A 16 -4.978 3.112 -2.065 1.00 0.00 O ATOM 241 CB PHE A 16 -5.623 -0.255 -3.086 1.00 0.00 C ATOM 242 CG PHE A 16 -6.754 -1.255 -3.229 1.00 0.00 C ATOM 243 CD1 PHE A 16 -7.861 -0.990 -4.035 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.713 -2.464 -2.532 1.00 0.00 C ATOM 245 CE1 PHE A 16 -8.922 -1.880 -4.109 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.773 -3.360 -2.615 1.00 0.00 C ATOM 247 CZ PHE A 16 -8.881 -3.065 -3.393 1.00 0.00 C ATOM 0 H PHE A 16 -4.676 1.959 -4.451 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.195 1.207 -3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.906 -0.410 -3.892 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.096 -0.444 -2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.892 -0.077 -4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.853 -2.705 -1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.779 -1.649 -4.724 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.732 -4.291 -2.070 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.709 -3.756 -3.441 1.00 0.00 H new ATOM 257 N ARG A 17 -5.889 1.503 -0.736 1.00 0.00 N ATOM 258 CA ARG A 17 -5.479 2.057 0.547 1.00 0.00 C ATOM 259 C ARG A 17 -4.535 1.050 1.207 1.00 0.00 C ATOM 260 O ARG A 17 -4.199 0.036 0.615 1.00 0.00 O ATOM 261 CB ARG A 17 -6.720 2.323 1.417 1.00 0.00 C ATOM 262 CG ARG A 17 -7.339 3.693 1.126 1.00 0.00 C ATOM 263 CD ARG A 17 -8.564 3.962 2.011 1.00 0.00 C ATOM 264 NE ARG A 17 -9.173 5.259 1.720 1.00 0.00 N ATOM 265 CZ ARG A 17 -8.634 6.429 2.125 1.00 0.00 C ATOM 266 NH1 ARG A 17 -7.488 6.466 2.793 1.00 0.00 N ATOM 267 NH2 ARG A 17 -9.261 7.565 1.850 1.00 0.00 N ATOM 0 H ARG A 17 -6.439 0.648 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.962 3.008 0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.462 1.544 1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.444 2.266 2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.594 4.471 1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.629 3.746 0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.301 3.173 1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.269 3.927 3.060 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.043 5.281 1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.996 5.599 3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.099 7.361 3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.142 7.550 1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.862 8.454 2.152 1.00 0.00 H new ATOM 281 N THR A 18 -4.135 1.417 2.440 1.00 0.00 N ATOM 282 CA THR A 18 -3.250 0.681 3.323 1.00 0.00 C ATOM 283 C THR A 18 -3.858 -0.635 3.800 1.00 0.00 C ATOM 284 O THR A 18 -4.195 -0.834 4.961 1.00 0.00 O ATOM 285 CB THR A 18 -2.858 1.490 4.588 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.032 0.781 5.567 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.083 2.254 5.177 1.00 0.00 C ATOM 0 H THR A 18 -4.449 2.292 2.859 1.00 0.00 H new ATOM 0 HA THR A 18 -2.366 0.486 2.716 1.00 0.00 H new ATOM 0 HB THR A 18 -2.157 2.252 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.487 -0.042 5.844 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.774 2.810 6.062 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.473 2.946 4.431 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.860 1.540 5.450 1.00 0.00 H new ATOM 295 N ILE A 19 -3.947 -1.518 2.804 1.00 0.00 N ATOM 296 CA ILE A 19 -4.408 -2.876 2.998 1.00 0.00 C ATOM 297 C ILE A 19 -3.163 -3.581 3.513 1.00 0.00 C ATOM 298 O ILE A 19 -2.064 -3.064 3.343 1.00 0.00 O ATOM 299 CB ILE A 19 -4.853 -3.444 1.643 1.00 0.00 C ATOM 300 CG1 ILE A 19 -5.825 -4.609 1.774 1.00 0.00 C ATOM 301 CG2 ILE A 19 -3.709 -3.763 0.676 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.213 -5.189 0.405 1.00 0.00 C ATOM 0 H ILE A 19 -3.698 -1.301 1.839 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.255 -2.981 3.676 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.398 -2.620 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.374 -5.391 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.723 -4.276 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.118 -4.159 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.146 -2.854 0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.048 -4.504 1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.907 -6.018 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.688 -4.414 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.319 -5.547 -0.105 1.00 0.00 H new ATOM 314 N SER A 20 -3.333 -4.751 4.144 1.00 0.00 N ATOM 315 CA SER A 20 -2.092 -5.368 4.614 1.00 0.00 C ATOM 316 C SER A 20 -1.261 -5.779 3.390 1.00 0.00 C ATOM 317 O SER A 20 -1.763 -5.985 2.293 1.00 0.00 O ATOM 318 CB SER A 20 -2.343 -6.628 5.485 1.00 0.00 C ATOM 319 OG SER A 20 -1.222 -7.488 5.958 1.00 0.00 O ATOM 0 H SER A 20 -4.209 -5.241 4.325 1.00 0.00 H new ATOM 0 HA SER A 20 -1.572 -4.637 5.233 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.883 -6.296 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.019 -7.272 4.922 1.00 0.00 H new ATOM 0 HG SER A 20 -1.493 -7.959 6.774 1.00 0.00 H new ATOM 325 N ARG A 21 0.042 -5.871 3.668 1.00 0.00 N ATOM 326 CA ARG A 21 1.027 -6.247 2.671 1.00 0.00 C ATOM 327 C ARG A 21 0.600 -7.526 1.931 1.00 0.00 C ATOM 328 O ARG A 21 0.590 -7.562 0.708 1.00 0.00 O ATOM 329 CB ARG A 21 2.387 -6.421 3.366 1.00 0.00 C ATOM 330 CG ARG A 21 3.551 -6.440 2.372 1.00 0.00 C ATOM 331 CD ARG A 21 4.909 -6.728 3.036 1.00 0.00 C ATOM 332 NE ARG A 21 4.939 -8.068 3.616 1.00 0.00 N ATOM 333 CZ ARG A 21 4.999 -9.186 2.863 1.00 0.00 C ATOM 334 NH1 ARG A 21 5.116 -9.115 1.544 1.00 0.00 N ATOM 335 NH2 ARG A 21 4.941 -10.374 3.447 1.00 0.00 N ATOM 0 H ARG A 21 0.435 -5.686 4.591 1.00 0.00 H new ATOM 0 HA ARG A 21 1.109 -5.463 1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.534 -5.610 4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.384 -7.350 3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.358 -7.196 1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.600 -5.478 1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.706 -6.630 2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.101 -5.988 3.813 1.00 0.00 H new ATOM 0 HE ARG A 21 4.914 -8.163 4.631 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.162 -8.206 1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.160 -9.970 0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.851 -10.440 4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.986 -11.222 2.883 1.00 0.00 H new ATOM 349 N LYS A 22 0.205 -8.547 2.732 1.00 0.00 N ATOM 350 CA LYS A 22 -0.204 -9.801 2.107 1.00 0.00 C ATOM 351 C LYS A 22 -1.579 -9.784 1.470 1.00 0.00 C ATOM 352 O LYS A 22 -1.925 -10.680 0.715 1.00 0.00 O ATOM 353 CB LYS A 22 -0.075 -11.001 3.042 1.00 0.00 C ATOM 354 CG LYS A 22 -1.114 -11.348 4.124 1.00 0.00 C ATOM 355 CD LYS A 22 -2.182 -10.321 4.424 1.00 0.00 C ATOM 356 CE LYS A 22 -2.705 -10.424 5.861 1.00 0.00 C ATOM 357 NZ LYS A 22 -3.740 -9.446 6.170 1.00 0.00 N ATOM 0 H LYS A 22 0.166 -8.522 3.751 1.00 0.00 H new ATOM 0 HA LYS A 22 0.510 -9.912 1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.009 -11.880 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.879 -10.888 3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.610 -12.272 3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.578 -11.556 5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.778 -9.322 4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.011 -10.449 3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.101 -11.426 6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.873 -10.293 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.533 -9.919 6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.348 -8.711 6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.079 -9.009 5.289 1.00 0.00 H new ATOM 371 N ASP A 23 -2.340 -8.732 1.814 1.00 0.00 N ATOM 372 CA ASP A 23 -3.687 -8.645 1.287 1.00 0.00 C ATOM 373 C ASP A 23 -3.659 -8.136 -0.154 1.00 0.00 C ATOM 374 O ASP A 23 -4.488 -8.467 -0.983 1.00 0.00 O ATOM 375 CB ASP A 23 -4.557 -7.673 2.107 1.00 0.00 C ATOM 376 CG ASP A 23 -5.094 -8.238 3.432 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.207 -9.453 3.576 1.00 0.00 O ATOM 378 OD2 ASP A 23 -5.413 -7.445 4.315 1.00 0.00 O ATOM 0 H ASP A 23 -2.053 -7.969 2.427 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.112 -9.647 1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.972 -6.779 2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.402 -7.361 1.494 1.00 0.00 H new ATOM 383 N ALA A 24 -2.663 -7.287 -0.391 1.00 0.00 N ATOM 384 CA ALA A 24 -2.488 -6.735 -1.726 1.00 0.00 C ATOM 385 C ALA A 24 -1.795 -7.766 -2.634 1.00 0.00 C ATOM 386 O ALA A 24 -1.991 -7.793 -3.843 1.00 0.00 O ATOM 387 CB ALA A 24 -1.700 -5.449 -1.597 1.00 0.00 C ATOM 0 H ALA A 24 -1.984 -6.975 0.303 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.448 -6.510 -2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.553 -5.012 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.248 -4.748 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.730 -5.660 -1.146 1.00 0.00 H new ATOM 393 N GLU A 25 -1.005 -8.629 -1.953 1.00 0.00 N ATOM 394 CA GLU A 25 -0.309 -9.709 -2.630 1.00 0.00 C ATOM 395 C GLU A 25 -1.328 -10.796 -3.006 1.00 0.00 C ATOM 396 O GLU A 25 -1.186 -11.454 -4.021 1.00 0.00 O ATOM 397 CB GLU A 25 0.756 -10.357 -1.720 1.00 0.00 C ATOM 398 CG GLU A 25 2.009 -9.500 -1.468 1.00 0.00 C ATOM 399 CD GLU A 25 3.022 -10.232 -0.558 1.00 0.00 C ATOM 400 OE1 GLU A 25 2.711 -10.485 0.606 1.00 0.00 O ATOM 401 OE2 GLU A 25 4.120 -10.541 -1.017 1.00 0.00 O ATOM 0 H GLU A 25 -0.845 -8.586 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 25 0.182 -9.293 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.297 -10.592 -0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.065 -11.303 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.482 -9.257 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.719 -8.556 -1.006 1.00 0.00 H new ATOM 408 N ARG A 26 -2.377 -10.934 -2.156 1.00 0.00 N ATOM 409 CA ARG A 26 -3.387 -11.969 -2.392 1.00 0.00 C ATOM 410 C ARG A 26 -4.157 -11.694 -3.691 1.00 0.00 C ATOM 411 O ARG A 26 -4.600 -12.593 -4.394 1.00 0.00 O ATOM 412 CB ARG A 26 -4.361 -12.055 -1.183 1.00 0.00 C ATOM 413 CG ARG A 26 -5.637 -11.178 -1.214 1.00 0.00 C ATOM 414 CD ARG A 26 -6.167 -10.734 0.164 1.00 0.00 C ATOM 415 NE ARG A 26 -7.610 -10.948 0.236 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.333 -10.617 1.325 1.00 0.00 C ATOM 417 NH1 ARG A 26 -7.764 -10.089 2.399 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.641 -10.829 1.332 1.00 0.00 N ATOM 0 H ARG A 26 -2.534 -10.357 -1.330 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.880 -12.928 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.673 -13.094 -1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.801 -11.798 -0.284 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.432 -10.288 -1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.425 -11.730 -1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.668 -11.296 0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.938 -9.681 0.329 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.087 -11.362 -0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.757 -9.925 2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.333 -9.847 3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.095 -11.240 0.517 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.193 -10.581 2.153 1.00 0.00 H new ATOM 432 N GLN A 27 -4.261 -10.376 -3.945 1.00 0.00 N ATOM 433 CA GLN A 27 -4.986 -9.893 -5.108 1.00 0.00 C ATOM 434 C GLN A 27 -4.272 -10.162 -6.424 1.00 0.00 C ATOM 435 O GLN A 27 -4.852 -10.654 -7.385 1.00 0.00 O ATOM 436 CB GLN A 27 -5.238 -8.384 -4.987 1.00 0.00 C ATOM 437 CG GLN A 27 -6.169 -8.096 -3.818 1.00 0.00 C ATOM 438 CD GLN A 27 -7.570 -8.662 -4.056 1.00 0.00 C ATOM 439 OE1 GLN A 27 -8.088 -8.658 -5.162 1.00 0.00 O ATOM 440 NE2 GLN A 27 -8.145 -9.148 -2.950 1.00 0.00 N ATOM 0 H GLN A 27 -3.854 -9.645 -3.362 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.925 -10.446 -5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.292 -7.861 -4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.676 -8.006 -5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.753 -8.526 -2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.234 -7.019 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.647 -9.116 -2.060 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.081 -9.551 -2.997 1.00 0.00 H new ATOM 449 N LEU A 28 -2.974 -9.802 -6.395 1.00 0.00 N ATOM 450 CA LEU A 28 -2.191 -9.932 -7.606 1.00 0.00 C ATOM 451 C LEU A 28 -1.801 -11.384 -7.886 1.00 0.00 C ATOM 452 O LEU A 28 -1.894 -11.818 -9.026 1.00 0.00 O ATOM 453 CB LEU A 28 -1.078 -8.889 -7.598 1.00 0.00 C ATOM 454 CG LEU A 28 -1.681 -7.497 -7.371 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.583 -6.472 -7.147 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.625 -7.090 -8.511 1.00 0.00 C ATOM 0 H LEU A 28 -2.478 -9.438 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.786 -9.696 -8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.357 -9.117 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.537 -8.912 -8.544 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.290 -7.537 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.029 -5.490 -6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.002 -6.751 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.067 -6.438 -8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.030 -6.098 -8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.074 -7.074 -9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.442 -7.808 -8.581 1.00 0.00 H new ATOM 468 N LEU A 29 -1.426 -12.129 -6.813 1.00 0.00 N ATOM 469 CA LEU A 29 -1.060 -13.535 -6.961 1.00 0.00 C ATOM 470 C LEU A 29 -2.260 -14.361 -7.465 1.00 0.00 C ATOM 471 O LEU A 29 -2.081 -15.459 -7.977 1.00 0.00 O ATOM 472 CB LEU A 29 -0.575 -14.099 -5.621 1.00 0.00 C ATOM 473 CG LEU A 29 0.745 -13.479 -5.140 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.921 -13.729 -3.645 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.944 -14.032 -5.924 1.00 0.00 C ATOM 0 H LEU A 29 -1.374 -11.774 -5.858 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.255 -13.602 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.343 -13.932 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.449 -15.178 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 29 0.703 -12.405 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.859 -13.287 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.092 -13.277 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.938 -14.802 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.862 -13.572 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.000 -15.112 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.822 -13.805 -6.983 1.00 0.00 H new ATOM 487 N ALA A 30 -3.482 -13.791 -7.313 1.00 0.00 N ATOM 488 CA ALA A 30 -4.655 -14.500 -7.801 1.00 0.00 C ATOM 489 C ALA A 30 -4.513 -14.745 -9.324 1.00 0.00 C ATOM 490 O ALA A 30 -3.991 -13.907 -10.053 1.00 0.00 O ATOM 491 CB ALA A 30 -5.905 -13.654 -7.540 1.00 0.00 C ATOM 0 H ALA A 30 -3.661 -12.887 -6.877 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.744 -15.455 -7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.785 -14.183 -7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.007 -13.476 -6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.814 -12.700 -8.060 1.00 0.00 H new ATOM 497 N PRO A 31 -5.003 -15.931 -9.782 1.00 0.00 N ATOM 498 CA PRO A 31 -4.947 -16.317 -11.196 1.00 0.00 C ATOM 499 C PRO A 31 -5.866 -15.491 -12.127 1.00 0.00 C ATOM 500 O PRO A 31 -5.982 -15.760 -13.317 1.00 0.00 O ATOM 501 CB PRO A 31 -5.364 -17.795 -11.190 1.00 0.00 C ATOM 502 CG PRO A 31 -6.191 -17.953 -9.916 1.00 0.00 C ATOM 503 CD PRO A 31 -5.590 -16.961 -8.935 1.00 0.00 C ATOM 0 HA PRO A 31 -3.951 -16.135 -11.600 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.947 -18.047 -12.076 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.495 -18.453 -11.183 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.244 -17.739 -10.099 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.135 -18.972 -9.532 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.350 -16.546 -8.272 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.838 -17.433 -8.302 1.00 0.00 H new ATOM 511 N MET A 32 -6.510 -14.480 -11.507 1.00 0.00 N ATOM 512 CA MET A 32 -7.422 -13.572 -12.154 1.00 0.00 C ATOM 513 C MET A 32 -6.723 -12.658 -13.182 1.00 0.00 C ATOM 514 O MET A 32 -7.269 -12.357 -14.236 1.00 0.00 O ATOM 515 CB MET A 32 -8.046 -12.773 -11.014 1.00 0.00 C ATOM 516 CG MET A 32 -8.860 -13.639 -10.040 1.00 0.00 C ATOM 517 SD MET A 32 -9.973 -12.666 -9.003 1.00 0.00 S ATOM 518 CE MET A 32 -8.785 -11.873 -7.903 1.00 0.00 C ATOM 0 H MET A 32 -6.392 -14.285 -10.513 1.00 0.00 H new ATOM 0 HA MET A 32 -8.169 -14.108 -12.739 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.256 -12.262 -10.463 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.693 -12.002 -11.432 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.441 -14.367 -10.606 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.177 -14.202 -9.404 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.234 -10.983 -7.463 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.504 -12.567 -7.111 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.898 -11.590 -8.469 1.00 0.00 H new ATOM 528 N ASN A 33 -5.485 -12.248 -12.803 1.00 0.00 N ATOM 529 CA ASN A 33 -4.660 -11.374 -13.644 1.00 0.00 C ATOM 530 C ASN A 33 -3.189 -11.844 -13.634 1.00 0.00 C ATOM 531 O ASN A 33 -2.830 -12.865 -13.059 1.00 0.00 O ATOM 532 CB ASN A 33 -4.751 -9.906 -13.173 1.00 0.00 C ATOM 533 CG ASN A 33 -6.185 -9.364 -13.187 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.997 -9.693 -12.335 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.433 -8.488 -14.174 1.00 0.00 N ATOM 0 H ASN A 33 -5.047 -12.514 -11.921 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.042 -11.432 -14.663 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.348 -9.828 -12.163 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.126 -9.284 -13.814 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.351 -8.049 -14.247 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.704 -8.262 -14.850 1.00 0.00 H new ATOM 542 N LYS A 34 -2.382 -11.010 -14.322 1.00 0.00 N ATOM 543 CA LYS A 34 -0.947 -11.206 -14.485 1.00 0.00 C ATOM 544 C LYS A 34 -0.220 -9.858 -14.378 1.00 0.00 C ATOM 545 O LYS A 34 -0.848 -8.808 -14.347 1.00 0.00 O ATOM 546 CB LYS A 34 -0.656 -11.890 -15.833 1.00 0.00 C ATOM 547 CG LYS A 34 -1.520 -11.427 -17.021 1.00 0.00 C ATOM 548 CD LYS A 34 -1.588 -9.906 -17.235 1.00 0.00 C ATOM 549 CE LYS A 34 -1.980 -9.508 -18.665 1.00 0.00 C ATOM 550 NZ LYS A 34 -3.273 -10.032 -19.102 1.00 0.00 N ATOM 0 H LYS A 34 -2.727 -10.169 -14.784 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.579 -11.856 -13.691 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.392 -11.724 -16.084 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.788 -12.965 -15.709 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.134 -11.888 -17.930 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.533 -11.802 -16.879 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.309 -9.480 -16.537 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.618 -9.469 -16.997 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.000 -8.420 -18.735 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.209 -9.857 -19.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.542 -9.586 -20.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.204 -11.061 -19.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.994 -9.822 -18.383 1.00 0.00 H new ATOM 564 N ALA A 35 1.130 -9.964 -14.332 1.00 0.00 N ATOM 565 CA ALA A 35 2.066 -8.844 -14.256 1.00 0.00 C ATOM 566 C ALA A 35 1.533 -7.601 -14.988 1.00 0.00 C ATOM 567 O ALA A 35 1.260 -7.620 -16.182 1.00 0.00 O ATOM 568 CB ALA A 35 3.391 -9.290 -14.876 1.00 0.00 C ATOM 0 H ALA A 35 1.602 -10.868 -14.348 1.00 0.00 H new ATOM 0 HA ALA A 35 2.201 -8.565 -13.211 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.108 -8.470 -14.831 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.782 -10.144 -14.323 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.229 -9.574 -15.916 1.00 0.00 H new ATOM 574 N GLY A 36 1.385 -6.547 -14.164 1.00 0.00 N ATOM 575 CA GLY A 36 0.857 -5.266 -14.603 1.00 0.00 C ATOM 576 C GLY A 36 -0.402 -4.896 -13.818 1.00 0.00 C ATOM 577 O GLY A 36 -0.747 -3.735 -13.638 1.00 0.00 O ATOM 0 H GLY A 36 1.632 -6.572 -13.175 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.613 -4.492 -14.471 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.627 -5.309 -15.668 1.00 0.00 H new ATOM 581 N SER A 37 -1.063 -5.965 -13.339 1.00 0.00 N ATOM 582 CA SER A 37 -2.189 -5.802 -12.430 1.00 0.00 C ATOM 583 C SER A 37 -1.522 -5.364 -11.106 1.00 0.00 C ATOM 584 O SER A 37 -0.677 -6.076 -10.569 1.00 0.00 O ATOM 585 CB SER A 37 -2.928 -7.165 -12.270 1.00 0.00 C ATOM 586 OG SER A 37 -2.126 -8.402 -12.097 1.00 0.00 O ATOM 0 H SER A 37 -0.835 -6.933 -13.567 1.00 0.00 H new ATOM 0 HA SER A 37 -2.935 -5.084 -12.772 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.592 -7.080 -11.410 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.559 -7.302 -13.148 1.00 0.00 H new ATOM 0 HG SER A 37 -1.773 -8.687 -12.966 1.00 0.00 H new ATOM 592 N PHE A 38 -1.911 -4.140 -10.662 1.00 0.00 N ATOM 593 CA PHE A 38 -1.312 -3.540 -9.466 1.00 0.00 C ATOM 594 C PHE A 38 -2.387 -3.246 -8.369 1.00 0.00 C ATOM 595 O PHE A 38 -3.588 -3.416 -8.542 1.00 0.00 O ATOM 596 CB PHE A 38 -0.665 -2.175 -9.867 1.00 0.00 C ATOM 597 CG PHE A 38 0.666 -2.152 -10.592 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.128 -3.158 -11.428 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.487 -1.043 -10.421 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.351 -3.026 -12.080 1.00 0.00 C ATOM 601 CE2 PHE A 38 2.741 -0.936 -11.012 1.00 0.00 C ATOM 602 CZ PHE A 38 3.168 -1.935 -11.865 1.00 0.00 C ATOM 0 H PHE A 38 -2.625 -3.567 -11.113 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.579 -4.241 -9.067 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.384 -1.647 -10.493 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.547 -1.591 -8.954 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.535 -4.049 -11.574 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.136 -0.230 -9.803 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.667 -3.795 -12.769 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.372 -0.084 -10.807 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.127 -1.863 -12.356 1.00 0.00 H new ATOM 612 N LEU A 39 -1.786 -2.769 -7.249 1.00 0.00 N ATOM 613 CA LEU A 39 -2.286 -2.310 -5.947 1.00 0.00 C ATOM 614 C LEU A 39 -1.440 -1.132 -5.482 1.00 0.00 C ATOM 615 O LEU A 39 -0.250 -1.343 -5.324 1.00 0.00 O ATOM 616 CB LEU A 39 -1.997 -3.354 -4.846 1.00 0.00 C ATOM 617 CG LEU A 39 -3.037 -4.415 -4.538 1.00 0.00 C ATOM 618 CD1 LEU A 39 -3.842 -3.804 -3.400 1.00 0.00 C ATOM 619 CD2 LEU A 39 -3.961 -4.845 -5.655 1.00 0.00 C ATOM 0 H LEU A 39 -0.769 -2.690 -7.254 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.348 -2.099 -6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.074 -3.868 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.800 -2.810 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.518 -5.347 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.628 -4.496 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.184 -3.610 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.291 -2.868 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.648 -5.607 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.529 -3.985 -6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.373 -5.254 -6.477 1.00 0.00 H new ATOM 631 N ILE A 40 -2.038 0.053 -5.193 1.00 0.00 N ATOM 632 CA ILE A 40 -1.138 1.119 -4.727 1.00 0.00 C ATOM 633 C ILE A 40 -1.714 1.379 -3.295 1.00 0.00 C ATOM 634 O ILE A 40 -2.678 2.106 -3.112 1.00 0.00 O ATOM 635 CB ILE A 40 -1.183 2.270 -5.789 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.134 3.034 -5.944 1.00 0.00 C ATOM 637 CG2 ILE A 40 -2.125 3.397 -5.385 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.359 3.438 -7.419 1.00 0.00 C ATOM 0 H ILE A 40 -3.031 0.276 -5.265 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.067 0.932 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.473 1.730 -6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.120 3.925 -5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.963 2.415 -5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.120 4.169 -6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.135 3.004 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.795 3.826 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.300 3.980 -7.508 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.395 2.543 -8.040 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.460 4.076 -7.750 1.00 0.00 H new ATOM 650 N ARG A 41 -1.127 0.677 -2.294 1.00 0.00 N ATOM 651 CA ARG A 41 -1.608 0.778 -0.920 1.00 0.00 C ATOM 652 C ARG A 41 -0.944 1.964 -0.204 1.00 0.00 C ATOM 653 O ARG A 41 0.238 2.211 -0.396 1.00 0.00 O ATOM 654 CB ARG A 41 -1.376 -0.582 -0.228 1.00 0.00 C ATOM 655 CG ARG A 41 0.081 -0.996 0.038 1.00 0.00 C ATOM 656 CD ARG A 41 0.642 -0.500 1.380 1.00 0.00 C ATOM 657 NE ARG A 41 -0.010 -1.140 2.519 1.00 0.00 N ATOM 658 CZ ARG A 41 0.314 -0.835 3.798 1.00 0.00 C ATOM 659 NH1 ARG A 41 1.248 0.066 4.080 1.00 0.00 N ATOM 660 NH2 ARG A 41 -0.307 -1.451 4.790 1.00 0.00 N ATOM 0 H ARG A 41 -0.334 0.049 -2.422 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.677 0.987 -0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.903 -0.570 0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.841 -1.356 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.149 -2.083 0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.708 -0.615 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.713 -0.696 1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.513 0.580 1.449 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.732 -1.839 2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.739 0.545 3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.475 0.279 5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.023 -2.149 4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.070 -1.228 5.757 1.00 0.00 H new ATOM 674 N GLU A 42 -1.745 2.687 0.622 1.00 0.00 N ATOM 675 CA GLU A 42 -1.150 3.833 1.328 1.00 0.00 C ATOM 676 C GLU A 42 -0.164 3.347 2.408 1.00 0.00 C ATOM 677 O GLU A 42 -0.249 2.228 2.894 1.00 0.00 O ATOM 678 CB GLU A 42 -2.168 4.858 1.867 1.00 0.00 C ATOM 679 CG GLU A 42 -2.667 4.607 3.281 1.00 0.00 C ATOM 680 CD GLU A 42 -3.456 5.794 3.844 1.00 0.00 C ATOM 681 OE1 GLU A 42 -4.576 6.024 3.390 1.00 0.00 O ATOM 682 OE2 GLU A 42 -2.938 6.461 4.740 1.00 0.00 O ATOM 0 H GLU A 42 -2.733 2.510 0.803 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.593 4.396 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.713 5.848 1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.027 4.878 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.299 3.719 3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.817 4.398 3.931 1.00 0.00 H new ATOM 689 N SER A 43 0.767 4.251 2.745 1.00 0.00 N ATOM 690 CA SER A 43 1.785 3.955 3.743 1.00 0.00 C ATOM 691 C SER A 43 1.334 4.556 5.076 1.00 0.00 C ATOM 692 O SER A 43 2.029 5.417 5.574 1.00 0.00 O ATOM 693 CB SER A 43 3.072 4.736 3.318 1.00 0.00 C ATOM 694 OG SER A 43 4.350 4.616 4.066 1.00 0.00 O ATOM 0 H SER A 43 0.830 5.185 2.340 1.00 0.00 H new ATOM 0 HA SER A 43 1.953 2.881 3.827 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.284 4.454 2.287 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.810 5.794 3.312 1.00 0.00 H new ATOM 0 HG SER A 43 4.203 4.856 5.005 1.00 0.00 H new ATOM 700 N GLU A 44 0.232 4.026 5.663 1.00 0.00 N ATOM 701 CA GLU A 44 -0.478 4.457 6.892 1.00 0.00 C ATOM 702 C GLU A 44 0.322 5.368 7.872 1.00 0.00 C ATOM 703 O GLU A 44 -0.203 6.326 8.423 1.00 0.00 O ATOM 704 CB GLU A 44 -0.953 3.187 7.625 1.00 0.00 C ATOM 705 CG GLU A 44 0.091 2.042 7.655 1.00 0.00 C ATOM 706 CD GLU A 44 -0.464 0.749 8.287 1.00 0.00 C ATOM 707 OE1 GLU A 44 -0.944 0.807 9.419 1.00 0.00 O ATOM 708 OE2 GLU A 44 -0.398 -0.304 7.643 1.00 0.00 O ATOM 0 H GLU A 44 -0.223 3.212 5.250 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.299 5.093 6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.217 3.450 8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.861 2.823 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.423 1.831 6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.967 2.369 8.215 1.00 0.00 H new ATOM 715 N SER A 45 1.599 5.018 8.034 1.00 0.00 N ATOM 716 CA SER A 45 2.642 5.661 8.822 1.00 0.00 C ATOM 717 C SER A 45 3.217 6.914 8.092 1.00 0.00 C ATOM 718 O SER A 45 4.337 7.328 8.361 1.00 0.00 O ATOM 719 CB SER A 45 3.757 4.580 8.694 1.00 0.00 C ATOM 720 OG SER A 45 4.009 4.028 7.329 1.00 0.00 O ATOM 0 H SER A 45 1.962 4.188 7.565 1.00 0.00 H new ATOM 0 HA SER A 45 2.307 5.963 9.814 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.689 5.008 9.064 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.503 3.751 9.354 1.00 0.00 H new ATOM 0 HG SER A 45 4.727 3.363 7.373 1.00 0.00 H new ATOM 726 N ASN A 46 2.406 7.487 7.180 1.00 0.00 N ATOM 727 CA ASN A 46 2.841 8.582 6.315 1.00 0.00 C ATOM 728 C ASN A 46 2.087 9.913 6.367 1.00 0.00 C ATOM 729 O ASN A 46 1.080 10.140 7.026 1.00 0.00 O ATOM 730 CB ASN A 46 2.548 8.078 4.882 1.00 0.00 C ATOM 731 CG ASN A 46 1.057 7.704 4.555 1.00 0.00 C ATOM 732 OD1 ASN A 46 0.789 7.148 3.507 1.00 0.00 O ATOM 733 ND2 ASN A 46 0.099 7.964 5.460 1.00 0.00 N ATOM 0 H ASN A 46 1.439 7.200 7.029 1.00 0.00 H new ATOM 0 HA ASN A 46 3.863 8.796 6.628 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.868 8.847 4.179 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.167 7.200 4.697 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.867 7.695 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.337 8.431 6.335 1.00 0.00 H new ATOM 740 N LYS A 47 2.734 10.743 5.514 1.00 0.00 N ATOM 741 CA LYS A 47 2.366 12.059 5.063 1.00 0.00 C ATOM 742 C LYS A 47 1.743 11.997 3.647 1.00 0.00 C ATOM 743 O LYS A 47 2.125 12.730 2.744 1.00 0.00 O ATOM 744 CB LYS A 47 3.464 13.095 5.312 1.00 0.00 C ATOM 745 CG LYS A 47 4.886 12.540 5.293 1.00 0.00 C ATOM 746 CD LYS A 47 5.297 11.914 3.965 1.00 0.00 C ATOM 747 CE LYS A 47 5.745 12.966 2.942 1.00 0.00 C ATOM 748 NZ LYS A 47 6.984 13.642 3.320 1.00 0.00 N ATOM 0 H LYS A 47 3.617 10.453 5.095 1.00 0.00 H new ATOM 0 HA LYS A 47 1.559 12.451 5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.384 13.877 4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.286 13.567 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.581 13.345 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.982 11.791 6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.108 11.206 4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.460 11.347 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.881 12.487 1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.955 13.708 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.406 14.088 2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.778 14.371 4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.651 12.949 3.716 1.00 0.00 H new ATOM 762 N GLY A 48 0.781 11.049 3.531 1.00 0.00 N ATOM 763 CA GLY A 48 0.031 10.790 2.301 1.00 0.00 C ATOM 764 C GLY A 48 0.755 9.894 1.275 1.00 0.00 C ATOM 765 O GLY A 48 0.409 9.865 0.099 1.00 0.00 O ATOM 0 H GLY A 48 0.509 10.442 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.918 10.323 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.203 11.744 1.828 1.00 0.00 H new ATOM 769 N ALA A 49 1.755 9.150 1.791 1.00 0.00 N ATOM 770 CA ALA A 49 2.558 8.254 0.942 1.00 0.00 C ATOM 771 C ALA A 49 1.830 6.907 0.645 1.00 0.00 C ATOM 772 O ALA A 49 0.714 6.671 1.081 1.00 0.00 O ATOM 773 CB ALA A 49 3.931 8.044 1.600 1.00 0.00 C ATOM 0 H ALA A 49 2.021 9.153 2.776 1.00 0.00 H new ATOM 0 HA ALA A 49 2.700 8.723 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.534 7.382 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.436 9.005 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.798 7.597 2.585 1.00 0.00 H new ATOM 779 N PHE A 50 2.514 6.064 -0.168 1.00 0.00 N ATOM 780 CA PHE A 50 2.000 4.766 -0.626 1.00 0.00 C ATOM 781 C PHE A 50 3.180 3.763 -0.796 1.00 0.00 C ATOM 782 O PHE A 50 4.314 4.001 -0.400 1.00 0.00 O ATOM 783 CB PHE A 50 1.206 4.959 -1.974 1.00 0.00 C ATOM 784 CG PHE A 50 -0.135 5.652 -1.838 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.235 7.016 -1.595 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.314 4.924 -1.946 1.00 0.00 C ATOM 787 CE1 PHE A 50 -1.466 7.631 -1.416 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.553 5.533 -1.790 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.631 6.891 -1.521 1.00 0.00 C ATOM 0 H PHE A 50 3.446 6.276 -0.523 1.00 0.00 H new ATOM 0 HA PHE A 50 1.315 4.355 0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.826 5.533 -2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.047 3.980 -2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.665 7.611 -1.544 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.266 3.865 -2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.515 8.687 -1.195 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.456 4.948 -1.878 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.592 7.367 -1.395 1.00 0.00 H new ATOM 799 N SER A 51 2.799 2.623 -1.421 1.00 0.00 N ATOM 800 CA SER A 51 3.621 1.473 -1.813 1.00 0.00 C ATOM 801 C SER A 51 2.962 0.896 -3.077 1.00 0.00 C ATOM 802 O SER A 51 1.915 1.393 -3.469 1.00 0.00 O ATOM 803 CB SER A 51 3.677 0.398 -0.686 1.00 0.00 C ATOM 804 OG SER A 51 3.776 0.820 0.732 1.00 0.00 O ATOM 0 H SER A 51 1.823 2.481 -1.682 1.00 0.00 H new ATOM 0 HA SER A 51 4.652 1.777 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.783 -0.218 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.531 -0.246 -0.894 1.00 0.00 H new ATOM 0 HG SER A 51 3.799 0.028 1.308 1.00 0.00 H new ATOM 810 N LEU A 52 3.552 -0.153 -3.694 1.00 0.00 N ATOM 811 CA LEU A 52 2.890 -0.639 -4.912 1.00 0.00 C ATOM 812 C LEU A 52 3.272 -2.093 -5.221 1.00 0.00 C ATOM 813 O LEU A 52 4.418 -2.433 -5.496 1.00 0.00 O ATOM 814 CB LEU A 52 3.340 0.309 -6.054 1.00 0.00 C ATOM 815 CG LEU A 52 2.691 0.140 -7.440 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.175 -0.002 -7.325 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.064 1.331 -8.346 1.00 0.00 C ATOM 0 H LEU A 52 4.402 -0.636 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 52 1.807 -0.633 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.162 1.333 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.417 0.196 -6.175 1.00 0.00 H new ATOM 0 HG LEU A 52 3.073 -0.776 -7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.744 -0.120 -8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.936 -0.877 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.761 0.889 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.601 1.203 -9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.708 2.257 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.147 1.376 -8.461 1.00 0.00 H new ATOM 829 N SER A 53 2.199 -2.908 -5.164 1.00 0.00 N ATOM 830 CA SER A 53 2.273 -4.330 -5.413 1.00 0.00 C ATOM 831 C SER A 53 1.943 -4.573 -6.880 1.00 0.00 C ATOM 832 O SER A 53 1.009 -4.005 -7.425 1.00 0.00 O ATOM 833 CB SER A 53 1.348 -5.058 -4.395 1.00 0.00 C ATOM 834 OG SER A 53 1.163 -4.456 -3.050 1.00 0.00 O ATOM 0 H SER A 53 1.260 -2.579 -4.941 1.00 0.00 H new ATOM 0 HA SER A 53 3.270 -4.742 -5.255 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.364 -5.156 -4.853 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.737 -6.067 -4.256 1.00 0.00 H new ATOM 0 HG SER A 53 0.996 -5.165 -2.394 1.00 0.00 H new ATOM 840 N VAL A 54 2.800 -5.425 -7.476 1.00 0.00 N ATOM 841 CA VAL A 54 2.695 -5.808 -8.882 1.00 0.00 C ATOM 842 C VAL A 54 3.039 -7.279 -8.954 1.00 0.00 C ATOM 843 O VAL A 54 3.898 -7.711 -8.205 1.00 0.00 O ATOM 844 CB VAL A 54 3.734 -5.061 -9.731 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.648 -5.450 -11.215 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.726 -3.570 -9.382 1.00 0.00 C ATOM 0 H VAL A 54 3.582 -5.863 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 54 1.696 -5.579 -9.253 1.00 0.00 H new ATOM 0 HB VAL A 54 4.744 -5.382 -9.478 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.400 -4.899 -11.780 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.826 -6.520 -11.322 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.657 -5.207 -11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.466 -3.050 -9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.738 -3.155 -9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.968 -3.442 -8.327 1.00 0.00 H new ATOM 856 N LYS A 55 2.395 -8.027 -9.874 1.00 0.00 N ATOM 857 CA LYS A 55 2.770 -9.439 -9.915 1.00 0.00 C ATOM 858 C LYS A 55 4.087 -9.675 -10.687 1.00 0.00 C ATOM 859 O LYS A 55 4.076 -9.607 -11.909 1.00 0.00 O ATOM 860 CB LYS A 55 1.656 -10.225 -10.610 1.00 0.00 C ATOM 861 CG LYS A 55 1.935 -11.736 -10.653 1.00 0.00 C ATOM 862 CD LYS A 55 0.766 -12.570 -10.148 1.00 0.00 C ATOM 863 CE LYS A 55 -0.293 -12.855 -11.214 1.00 0.00 C ATOM 864 NZ LYS A 55 -1.214 -13.894 -10.771 1.00 0.00 N ATOM 0 H LYS A 55 1.684 -7.712 -10.534 1.00 0.00 H new ATOM 0 HA LYS A 55 2.916 -9.772 -8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.714 -10.048 -10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.534 -9.853 -11.627 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.167 -12.028 -11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.817 -11.955 -10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.146 -13.517 -9.764 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.296 -12.052 -9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.847 -11.943 -11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.192 -13.165 -12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.395 -14.555 -11.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.796 -14.411 -9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.110 -13.459 -10.471 1.00 0.00 H new ATOM 878 N ASP A 56 5.215 -9.943 -9.961 1.00 0.00 N ATOM 879 CA ASP A 56 6.416 -10.251 -10.756 1.00 0.00 C ATOM 880 C ASP A 56 6.321 -11.748 -11.129 1.00 0.00 C ATOM 881 O ASP A 56 6.024 -12.593 -10.295 1.00 0.00 O ATOM 882 CB ASP A 56 7.723 -9.793 -10.085 1.00 0.00 C ATOM 883 CG ASP A 56 8.995 -10.302 -10.798 1.00 0.00 C ATOM 884 OD1 ASP A 56 9.301 -11.488 -10.693 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.686 -9.497 -11.424 1.00 0.00 O ATOM 0 H ASP A 56 5.308 -9.951 -8.945 1.00 0.00 H new ATOM 0 HA ASP A 56 6.451 -9.671 -11.678 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.744 -8.704 -10.056 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.732 -10.140 -9.052 1.00 0.00 H new ATOM 890 N ILE A 57 6.531 -11.996 -12.438 1.00 0.00 N ATOM 891 CA ILE A 57 6.455 -13.350 -12.989 1.00 0.00 C ATOM 892 C ILE A 57 7.819 -13.746 -13.576 1.00 0.00 C ATOM 893 O ILE A 57 8.496 -12.960 -14.227 1.00 0.00 O ATOM 894 CB ILE A 57 5.303 -13.435 -14.008 1.00 0.00 C ATOM 895 CG1 ILE A 57 3.978 -12.999 -13.346 1.00 0.00 C ATOM 896 CG2 ILE A 57 5.190 -14.853 -14.598 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.727 -13.290 -14.172 1.00 0.00 C ATOM 0 H ILE A 57 6.753 -11.275 -13.124 1.00 0.00 H new ATOM 0 HA ILE A 57 6.229 -14.071 -12.203 1.00 0.00 H new ATOM 0 HB ILE A 57 5.517 -12.755 -14.833 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.886 -13.501 -12.383 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.023 -11.929 -13.144 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.369 -14.885 -15.314 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.121 -15.113 -15.102 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.000 -15.567 -13.796 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.845 -12.950 -13.629 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.790 -12.766 -15.125 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.651 -14.362 -14.352 1.00 0.00 H new ATOM 909 N THR A 58 8.163 -15.018 -13.283 1.00 0.00 N ATOM 910 CA THR A 58 9.426 -15.610 -13.721 1.00 0.00 C ATOM 911 C THR A 58 9.300 -17.140 -13.715 1.00 0.00 C ATOM 912 O THR A 58 8.340 -17.687 -13.183 1.00 0.00 O ATOM 913 CB THR A 58 10.573 -15.191 -12.749 1.00 0.00 C ATOM 914 OG1 THR A 58 11.900 -15.732 -13.038 1.00 0.00 O ATOM 915 CG2 THR A 58 10.140 -15.317 -11.252 1.00 0.00 C ATOM 0 H THR A 58 7.574 -15.650 -12.741 1.00 0.00 H new ATOM 0 HA THR A 58 9.655 -15.259 -14.727 1.00 0.00 H new ATOM 0 HB THR A 58 10.726 -14.131 -12.951 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.539 -15.405 -12.371 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.966 -15.016 -10.608 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.281 -14.672 -11.066 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.870 -16.351 -11.037 1.00 0.00 H new ATOM 923 N THR A 59 10.320 -17.809 -14.313 1.00 0.00 N ATOM 924 CA THR A 59 10.283 -19.275 -14.340 1.00 0.00 C ATOM 925 C THR A 59 10.614 -19.895 -12.966 1.00 0.00 C ATOM 926 O THR A 59 10.542 -21.108 -12.805 1.00 0.00 O ATOM 927 CB THR A 59 11.159 -19.933 -15.455 1.00 0.00 C ATOM 928 OG1 THR A 59 11.196 -21.400 -15.481 1.00 0.00 O ATOM 929 CG2 THR A 59 12.569 -19.287 -15.582 1.00 0.00 C ATOM 0 H THR A 59 11.131 -17.377 -14.757 1.00 0.00 H new ATOM 0 HA THR A 59 9.248 -19.504 -14.593 1.00 0.00 H new ATOM 0 HB THR A 59 10.609 -19.691 -16.365 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.896 -21.750 -14.616 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.129 -19.787 -16.372 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.464 -18.230 -15.825 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.103 -19.391 -14.638 1.00 0.00 H new ATOM 937 N GLN A 60 10.971 -19.026 -11.987 1.00 0.00 N ATOM 938 CA GLN A 60 11.267 -19.545 -10.648 1.00 0.00 C ATOM 939 C GLN A 60 9.954 -19.817 -9.873 1.00 0.00 C ATOM 940 O GLN A 60 9.818 -20.807 -9.167 1.00 0.00 O ATOM 941 CB GLN A 60 12.161 -18.577 -9.860 1.00 0.00 C ATOM 942 CG GLN A 60 13.651 -18.687 -10.235 1.00 0.00 C ATOM 943 CD GLN A 60 14.472 -17.554 -9.600 1.00 0.00 C ATOM 944 OE1 GLN A 60 14.960 -16.653 -10.270 1.00 0.00 O ATOM 945 NE2 GLN A 60 14.598 -17.667 -8.268 1.00 0.00 N ATOM 0 H GLN A 60 11.055 -18.016 -12.098 1.00 0.00 H new ATOM 0 HA GLN A 60 11.809 -20.483 -10.765 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.823 -17.556 -10.036 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.046 -18.772 -8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.041 -19.650 -9.906 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.759 -18.653 -11.319 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.161 -18.448 -7.779 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.131 -16.972 -7.745 1.00 0.00 H new ATOM 954 N GLY A 61 9.010 -18.871 -10.062 1.00 0.00 N ATOM 955 CA GLY A 61 7.707 -18.949 -9.415 1.00 0.00 C ATOM 956 C GLY A 61 7.010 -17.585 -9.440 1.00 0.00 C ATOM 957 O GLY A 61 7.645 -16.551 -9.610 1.00 0.00 O ATOM 0 H GLY A 61 9.136 -18.052 -10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.087 -19.689 -9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.826 -19.284 -8.385 1.00 0.00 H new ATOM 961 N GLU A 62 5.671 -17.646 -9.264 1.00 0.00 N ATOM 962 CA GLU A 62 4.865 -16.443 -9.258 1.00 0.00 C ATOM 963 C GLU A 62 5.002 -15.712 -7.910 1.00 0.00 C ATOM 964 O GLU A 62 4.916 -16.319 -6.848 1.00 0.00 O ATOM 965 CB GLU A 62 3.406 -16.844 -9.507 1.00 0.00 C ATOM 966 CG GLU A 62 2.657 -15.645 -10.062 1.00 0.00 C ATOM 967 CD GLU A 62 1.185 -15.945 -10.377 1.00 0.00 C ATOM 968 OE1 GLU A 62 0.388 -16.062 -9.449 1.00 0.00 O ATOM 969 OE2 GLU A 62 0.835 -16.015 -11.553 1.00 0.00 O ATOM 0 H GLU A 62 5.148 -18.511 -9.127 1.00 0.00 H new ATOM 0 HA GLU A 62 5.202 -15.762 -10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.358 -17.677 -10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.944 -17.182 -8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.709 -14.828 -9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.154 -15.303 -10.970 1.00 0.00 H new ATOM 976 N VAL A 63 5.224 -14.383 -8.025 1.00 0.00 N ATOM 977 CA VAL A 63 5.386 -13.534 -6.854 1.00 0.00 C ATOM 978 C VAL A 63 4.625 -12.229 -7.126 1.00 0.00 C ATOM 979 O VAL A 63 3.841 -12.115 -8.056 1.00 0.00 O ATOM 980 CB VAL A 63 6.895 -13.256 -6.618 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.706 -14.550 -6.480 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.519 -12.343 -7.695 1.00 0.00 C ATOM 0 H VAL A 63 5.292 -13.891 -8.916 1.00 0.00 H new ATOM 0 HA VAL A 63 4.992 -14.015 -5.959 1.00 0.00 H new ATOM 0 HB VAL A 63 6.943 -12.718 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.756 -14.306 -6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.331 -15.126 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.609 -15.139 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.575 -12.187 -7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.420 -12.814 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.004 -11.382 -7.701 1.00 0.00 H new ATOM 992 N VAL A 64 4.936 -11.265 -6.245 1.00 0.00 N ATOM 993 CA VAL A 64 4.436 -9.904 -6.301 1.00 0.00 C ATOM 994 C VAL A 64 5.713 -9.028 -6.243 1.00 0.00 C ATOM 995 O VAL A 64 6.795 -9.532 -6.503 1.00 0.00 O ATOM 996 CB VAL A 64 3.235 -9.750 -5.329 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.861 -8.330 -4.925 1.00 0.00 C ATOM 998 CG2 VAL A 64 1.974 -10.275 -6.015 1.00 0.00 C ATOM 0 H VAL A 64 5.561 -11.427 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 64 3.930 -9.554 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 64 3.562 -10.288 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.009 -8.357 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.708 -7.859 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.598 -7.756 -5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.123 -10.172 -5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.789 -9.702 -6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.109 -11.326 -6.270 1.00 0.00 H new ATOM 1008 N LYS A 65 5.550 -7.731 -5.964 1.00 0.00 N ATOM 1009 CA LYS A 65 6.612 -6.722 -5.840 1.00 0.00 C ATOM 1010 C LYS A 65 6.114 -5.671 -4.845 1.00 0.00 C ATOM 1011 O LYS A 65 4.949 -5.713 -4.509 1.00 0.00 O ATOM 1012 CB LYS A 65 6.862 -6.063 -7.207 1.00 0.00 C ATOM 1013 CG LYS A 65 7.704 -6.948 -8.127 1.00 0.00 C ATOM 1014 CD LYS A 65 9.178 -6.987 -7.693 1.00 0.00 C ATOM 1015 CE LYS A 65 10.139 -7.462 -8.787 1.00 0.00 C ATOM 1016 NZ LYS A 65 10.518 -8.857 -8.599 1.00 0.00 N ATOM 0 H LYS A 65 4.624 -7.333 -5.810 1.00 0.00 H new ATOM 0 HA LYS A 65 7.544 -7.173 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.907 -5.849 -7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.367 -5.108 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.299 -7.960 -8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.636 -6.577 -9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.477 -5.990 -7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.274 -7.645 -6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.669 -7.340 -9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.033 -6.838 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.921 -9.229 -9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.225 -8.925 -7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.678 -9.413 -8.341 1.00 0.00 H new ATOM 1030 N HIS A 66 7.004 -4.759 -4.383 1.00 0.00 N ATOM 1031 CA HIS A 66 6.654 -3.696 -3.435 1.00 0.00 C ATOM 1032 C HIS A 66 7.572 -2.469 -3.662 1.00 0.00 C ATOM 1033 O HIS A 66 8.739 -2.490 -3.288 1.00 0.00 O ATOM 1034 CB HIS A 66 6.881 -4.182 -1.983 1.00 0.00 C ATOM 1035 CG HIS A 66 5.821 -5.164 -1.538 1.00 0.00 C ATOM 1036 ND1 HIS A 66 4.564 -5.153 -2.008 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.931 -6.216 -0.615 1.00 0.00 C ATOM 1038 CE1 HIS A 66 3.918 -6.160 -1.403 1.00 0.00 C ATOM 1039 NE2 HIS A 66 4.722 -6.821 -0.552 1.00 0.00 N ATOM 0 H HIS A 66 7.985 -4.748 -4.664 1.00 0.00 H new ATOM 0 HA HIS A 66 5.608 -3.432 -3.590 1.00 0.00 H new ATOM 0 HB2 HIS A 66 7.862 -4.650 -1.907 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.884 -3.324 -1.311 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.176 -4.504 -2.693 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.815 -6.491 -0.059 1.00 0.00 H new ATOM 0 HE1 HIS A 66 2.882 -6.409 -1.577 1.00 0.00 H new ATOM 1047 N TYR A 67 6.998 -1.405 -4.275 1.00 0.00 N ATOM 1048 CA TYR A 67 7.773 -0.180 -4.513 1.00 0.00 C ATOM 1049 C TYR A 67 7.515 0.800 -3.352 1.00 0.00 C ATOM 1050 O TYR A 67 6.682 0.559 -2.487 1.00 0.00 O ATOM 1051 CB TYR A 67 7.481 0.427 -5.892 1.00 0.00 C ATOM 1052 CG TYR A 67 7.858 -0.519 -6.996 1.00 0.00 C ATOM 1053 CD1 TYR A 67 9.169 -0.559 -7.454 1.00 0.00 C ATOM 1054 CD2 TYR A 67 6.915 -1.356 -7.579 1.00 0.00 C ATOM 1055 CE1 TYR A 67 9.540 -1.414 -8.480 1.00 0.00 C ATOM 1056 CE2 TYR A 67 7.270 -2.220 -8.607 1.00 0.00 C ATOM 1057 CZ TYR A 67 8.593 -2.258 -9.065 1.00 0.00 C ATOM 1058 OH TYR A 67 8.964 -3.083 -10.118 1.00 0.00 O ATOM 0 H TYR A 67 6.032 -1.375 -4.602 1.00 0.00 H new ATOM 0 HA TYR A 67 8.837 -0.417 -4.533 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.422 0.673 -5.967 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.033 1.360 -6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.910 0.085 -7.004 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.894 -1.335 -7.229 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.562 -1.428 -8.828 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.526 -2.863 -9.053 1.00 0.00 H new ATOM 0 HH TYR A 67 8.352 -3.847 -10.166 1.00 0.00 H new ATOM 1068 N LYS A 68 8.290 1.910 -3.401 1.00 0.00 N ATOM 1069 CA LYS A 68 8.255 2.944 -2.365 1.00 0.00 C ATOM 1070 C LYS A 68 7.917 4.359 -2.913 1.00 0.00 C ATOM 1071 O LYS A 68 8.761 5.196 -3.203 1.00 0.00 O ATOM 1072 CB LYS A 68 9.533 2.813 -1.521 1.00 0.00 C ATOM 1073 CG LYS A 68 10.759 3.558 -2.042 1.00 0.00 C ATOM 1074 CD LYS A 68 11.065 3.384 -3.539 1.00 0.00 C ATOM 1075 CE LYS A 68 11.650 2.026 -3.924 1.00 0.00 C ATOM 1076 NZ LYS A 68 11.802 1.924 -5.374 1.00 0.00 N ATOM 0 H LYS A 68 8.948 2.103 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 68 7.413 2.787 -1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.317 3.169 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.783 1.755 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.628 4.621 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.629 3.230 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.145 3.540 -4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.763 4.163 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.618 1.891 -3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.000 1.229 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.681 1.415 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.992 1.407 -5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.841 2.878 -5.787 1.00 0.00 H new ATOM 1090 N ILE A 69 6.594 4.560 -3.021 1.00 0.00 N ATOM 1091 CA ILE A 69 6.022 5.823 -3.480 1.00 0.00 C ATOM 1092 C ILE A 69 5.759 6.789 -2.331 1.00 0.00 C ATOM 1093 O ILE A 69 4.969 6.543 -1.436 1.00 0.00 O ATOM 1094 CB ILE A 69 4.813 5.661 -4.403 1.00 0.00 C ATOM 1095 CG1 ILE A 69 4.058 4.380 -4.111 1.00 0.00 C ATOM 1096 CG2 ILE A 69 4.994 6.018 -5.880 1.00 0.00 C ATOM 1097 CD1 ILE A 69 2.904 4.206 -5.042 1.00 0.00 C ATOM 0 H ILE A 69 5.898 3.850 -2.792 1.00 0.00 H new ATOM 0 HA ILE A 69 6.791 6.276 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 69 4.149 6.481 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.733 3.529 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.699 4.394 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.056 5.854 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.283 7.065 -5.968 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.771 5.389 -6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.383 3.278 -4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.218 5.045 -4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.268 4.167 -6.069 1.00 0.00 H new ATOM 1109 N ARG A 70 6.481 7.908 -2.438 1.00 0.00 N ATOM 1110 CA ARG A 70 6.318 8.988 -1.485 1.00 0.00 C ATOM 1111 C ARG A 70 5.341 9.972 -2.114 1.00 0.00 C ATOM 1112 O ARG A 70 4.997 9.840 -3.277 1.00 0.00 O ATOM 1113 CB ARG A 70 7.661 9.671 -1.301 1.00 0.00 C ATOM 1114 CG ARG A 70 8.635 8.797 -0.518 1.00 0.00 C ATOM 1115 CD ARG A 70 9.360 9.643 0.515 1.00 0.00 C ATOM 1116 NE ARG A 70 10.403 8.870 1.182 1.00 0.00 N ATOM 1117 CZ ARG A 70 10.139 7.970 2.155 1.00 0.00 C ATOM 1118 NH1 ARG A 70 8.908 7.799 2.623 1.00 0.00 N ATOM 1119 NH2 ARG A 70 11.131 7.245 2.653 1.00 0.00 N ATOM 0 H ARG A 70 7.173 8.081 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 70 5.957 8.631 -0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.086 9.906 -2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.520 10.617 -0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.098 7.986 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.354 8.338 -1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.801 10.515 0.032 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.648 10.013 1.253 1.00 0.00 H new ATOM 0 HE ARG A 70 11.373 9.015 0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.138 8.353 2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.732 7.114 3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.080 7.370 2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.945 6.562 3.388 1.00 0.00 H new ATOM 1133 N SER A 71 4.913 10.935 -1.285 1.00 0.00 N ATOM 1134 CA SER A 71 4.025 11.987 -1.763 1.00 0.00 C ATOM 1135 C SER A 71 4.628 13.299 -1.251 1.00 0.00 C ATOM 1136 O SER A 71 4.685 13.562 -0.055 1.00 0.00 O ATOM 1137 CB SER A 71 2.573 11.764 -1.286 1.00 0.00 C ATOM 1138 OG SER A 71 2.238 11.958 0.140 1.00 0.00 O ATOM 0 H SER A 71 5.165 11.002 -0.299 1.00 0.00 H new ATOM 0 HA SER A 71 3.955 11.998 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.933 12.429 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.295 10.744 -1.551 1.00 0.00 H new ATOM 0 HG SER A 71 2.927 12.510 0.566 1.00 0.00 H new ATOM 1144 N LEU A 72 5.111 14.056 -2.257 1.00 0.00 N ATOM 1145 CA LEU A 72 5.830 15.305 -2.061 1.00 0.00 C ATOM 1146 C LEU A 72 4.941 16.517 -2.267 1.00 0.00 C ATOM 1147 O LEU A 72 3.871 16.474 -2.859 1.00 0.00 O ATOM 1148 CB LEU A 72 7.049 15.395 -3.001 1.00 0.00 C ATOM 1149 CG LEU A 72 7.666 14.052 -3.343 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.019 13.261 -2.073 1.00 0.00 C ATOM 1151 CD2 LEU A 72 6.837 13.304 -4.404 1.00 0.00 C ATOM 0 H LEU A 72 5.004 13.802 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 72 6.171 15.307 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.747 15.890 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.808 16.024 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 72 8.628 14.207 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.459 12.303 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.733 13.829 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.115 13.089 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.308 12.346 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.829 13.134 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.786 13.902 -5.314 1.00 0.00 H new ATOM 1163 N ASP A 73 5.567 17.588 -1.745 1.00 0.00 N ATOM 1164 CA ASP A 73 5.099 18.971 -1.697 1.00 0.00 C ATOM 1165 C ASP A 73 4.395 19.459 -2.984 1.00 0.00 C ATOM 1166 O ASP A 73 3.389 20.154 -2.918 1.00 0.00 O ATOM 1167 CB ASP A 73 6.286 19.876 -1.312 1.00 0.00 C ATOM 1168 CG ASP A 73 7.472 19.726 -2.287 1.00 0.00 C ATOM 1169 OD1 ASP A 73 8.272 18.806 -2.105 1.00 0.00 O ATOM 1170 OD2 ASP A 73 7.579 20.526 -3.215 1.00 0.00 O ATOM 0 H ASP A 73 6.486 17.493 -1.313 1.00 0.00 H new ATOM 0 HA ASP A 73 4.317 19.025 -0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.959 20.916 -1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.615 19.631 -0.302 1.00 0.00 H new ATOM 1175 N ASN A 74 4.963 19.060 -4.142 1.00 0.00 N ATOM 1176 CA ASN A 74 4.388 19.461 -5.432 1.00 0.00 C ATOM 1177 C ASN A 74 2.981 18.870 -5.666 1.00 0.00 C ATOM 1178 O ASN A 74 2.119 19.457 -6.307 1.00 0.00 O ATOM 1179 CB ASN A 74 5.363 19.154 -6.588 1.00 0.00 C ATOM 1180 CG ASN A 74 5.601 17.647 -6.783 1.00 0.00 C ATOM 1181 OD1 ASN A 74 5.732 16.889 -5.833 1.00 0.00 O ATOM 1182 ND2 ASN A 74 5.632 17.254 -8.065 1.00 0.00 N ATOM 0 H ASN A 74 5.797 18.476 -4.206 1.00 0.00 H new ATOM 0 HA ASN A 74 4.246 20.541 -5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.969 19.577 -7.512 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.316 19.646 -6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.772 16.270 -8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.516 17.939 -8.811 1.00 0.00 H new ATOM 1189 N GLY A 75 2.848 17.680 -5.068 1.00 0.00 N ATOM 1190 CA GLY A 75 1.650 16.848 -5.082 1.00 0.00 C ATOM 1191 C GLY A 75 1.887 15.579 -5.898 1.00 0.00 C ATOM 1192 O GLY A 75 0.971 14.871 -6.301 1.00 0.00 O ATOM 0 H GLY A 75 3.610 17.256 -4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.372 16.584 -4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.816 17.408 -5.505 1.00 0.00 H new ATOM 1196 N GLY A 76 3.197 15.356 -6.109 1.00 0.00 N ATOM 1197 CA GLY A 76 3.690 14.251 -6.873 1.00 0.00 C ATOM 1198 C GLY A 76 3.971 13.029 -6.031 1.00 0.00 C ATOM 1199 O GLY A 76 3.660 12.955 -4.851 1.00 0.00 O ATOM 0 H GLY A 76 3.932 15.959 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.962 13.995 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.604 14.550 -7.386 1.00 0.00 H new ATOM 1203 N TYR A 77 4.594 12.089 -6.758 1.00 0.00 N ATOM 1204 CA TYR A 77 4.979 10.801 -6.212 1.00 0.00 C ATOM 1205 C TYR A 77 6.251 10.345 -6.910 1.00 0.00 C ATOM 1206 O TYR A 77 6.367 10.395 -8.130 1.00 0.00 O ATOM 1207 CB TYR A 77 3.901 9.725 -6.445 1.00 0.00 C ATOM 1208 CG TYR A 77 2.611 9.993 -5.725 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.672 10.854 -6.267 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.323 9.355 -4.532 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.439 11.065 -5.663 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.108 9.565 -3.899 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.137 10.393 -4.471 1.00 0.00 C ATOM 1214 OH TYR A 77 -1.110 10.520 -3.866 1.00 0.00 O ATOM 0 H TYR A 77 4.840 12.211 -7.740 1.00 0.00 H new ATOM 0 HA TYR A 77 5.119 10.921 -5.138 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.701 9.650 -7.514 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.291 8.759 -6.125 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.904 11.375 -7.184 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.050 8.689 -4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.279 11.739 -6.107 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.909 9.084 -2.953 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.134 9.979 -3.049 1.00 0.00 H new ATOM 1224 N TYR A 78 7.183 9.886 -6.042 1.00 0.00 N ATOM 1225 CA TYR A 78 8.470 9.392 -6.540 1.00 0.00 C ATOM 1226 C TYR A 78 8.763 7.978 -5.979 1.00 0.00 C ATOM 1227 O TYR A 78 8.539 7.692 -4.810 1.00 0.00 O ATOM 1228 CB TYR A 78 9.619 10.398 -6.243 1.00 0.00 C ATOM 1229 CG TYR A 78 10.290 10.287 -4.890 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.232 9.293 -4.660 1.00 0.00 C ATOM 1231 CD2 TYR A 78 9.996 11.163 -3.851 1.00 0.00 C ATOM 1232 CE1 TYR A 78 11.843 9.128 -3.430 1.00 0.00 C ATOM 1233 CE2 TYR A 78 10.614 11.023 -2.613 1.00 0.00 C ATOM 1234 CZ TYR A 78 11.542 10.003 -2.385 1.00 0.00 C ATOM 1235 OH TYR A 78 12.127 9.846 -1.132 1.00 0.00 O ATOM 0 H TYR A 78 7.067 9.851 -5.029 1.00 0.00 H new ATOM 0 HA TYR A 78 8.410 9.306 -7.625 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.382 10.279 -7.012 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.221 11.408 -6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.496 8.627 -5.468 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.282 11.958 -4.007 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.550 8.326 -3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.374 11.712 -1.817 1.00 0.00 H new ATOM 0 HH TYR A 78 11.976 10.653 -0.597 1.00 0.00 H new ATOM 1245 N ILE A 79 9.278 7.140 -6.910 1.00 0.00 N ATOM 1246 CA ILE A 79 9.715 5.748 -6.694 1.00 0.00 C ATOM 1247 C ILE A 79 11.256 5.623 -6.804 1.00 0.00 C ATOM 1248 O ILE A 79 11.867 4.624 -6.441 1.00 0.00 O ATOM 1249 CB ILE A 79 8.805 4.674 -7.344 1.00 0.00 C ATOM 1250 CG1 ILE A 79 8.090 5.199 -8.611 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.883 4.008 -6.319 1.00 0.00 C ATOM 1252 CD1 ILE A 79 6.966 4.292 -9.135 1.00 0.00 C ATOM 0 H ILE A 79 9.404 7.435 -7.878 1.00 0.00 H new ATOM 0 HA ILE A 79 9.534 5.470 -5.656 1.00 0.00 H new ATOM 0 HB ILE A 79 9.447 3.871 -7.706 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.674 6.183 -8.396 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.830 5.332 -9.401 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.263 3.263 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.484 3.524 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.244 4.763 -5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.522 4.739 -10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.375 3.314 -9.387 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.202 4.179 -8.366 1.00 0.00 H new ATOM 1264 N SER A 80 11.806 6.742 -7.294 1.00 0.00 N ATOM 1265 CA SER A 80 13.206 7.091 -7.460 1.00 0.00 C ATOM 1266 C SER A 80 13.092 8.614 -7.562 1.00 0.00 C ATOM 1267 O SER A 80 12.228 9.093 -8.284 1.00 0.00 O ATOM 1268 CB SER A 80 13.874 6.524 -8.740 1.00 0.00 C ATOM 1269 OG SER A 80 14.754 7.419 -9.536 1.00 0.00 O ATOM 0 H SER A 80 11.207 7.502 -7.616 1.00 0.00 H new ATOM 0 HA SER A 80 13.830 6.691 -6.661 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.462 5.654 -8.449 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.081 6.168 -9.398 1.00 0.00 H new ATOM 0 HG SER A 80 15.105 6.930 -10.309 1.00 0.00 H new ATOM 1275 N PRO A 81 13.935 9.402 -6.850 1.00 0.00 N ATOM 1276 CA PRO A 81 13.732 10.843 -6.902 1.00 0.00 C ATOM 1277 C PRO A 81 13.884 11.531 -8.271 1.00 0.00 C ATOM 1278 O PRO A 81 13.402 12.642 -8.448 1.00 0.00 O ATOM 1279 CB PRO A 81 14.650 11.403 -5.820 1.00 0.00 C ATOM 1280 CG PRO A 81 15.092 10.197 -4.991 1.00 0.00 C ATOM 1281 CD PRO A 81 14.976 8.995 -5.907 1.00 0.00 C ATOM 0 HA PRO A 81 12.680 11.063 -6.721 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.508 11.912 -6.259 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.127 12.133 -5.202 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.116 10.321 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.462 10.078 -4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.917 8.780 -6.413 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.696 8.095 -5.359 1.00 0.00 H new ATOM 1289 N ARG A 82 14.524 10.818 -9.231 1.00 0.00 N ATOM 1290 CA ARG A 82 14.640 11.435 -10.569 1.00 0.00 C ATOM 1291 C ARG A 82 13.307 11.276 -11.344 1.00 0.00 C ATOM 1292 O ARG A 82 12.869 12.172 -12.055 1.00 0.00 O ATOM 1293 CB ARG A 82 15.869 10.986 -11.391 1.00 0.00 C ATOM 1294 CG ARG A 82 15.729 9.762 -12.327 1.00 0.00 C ATOM 1295 CD ARG A 82 15.906 10.174 -13.785 1.00 0.00 C ATOM 1296 NE ARG A 82 17.325 10.394 -14.057 1.00 0.00 N ATOM 1297 CZ ARG A 82 17.911 10.130 -15.243 1.00 0.00 C ATOM 1298 NH1 ARG A 82 17.210 9.679 -16.276 1.00 0.00 N ATOM 1299 NH2 ARG A 82 19.216 10.324 -15.379 1.00 0.00 N ATOM 0 H ARG A 82 14.936 9.892 -9.120 1.00 0.00 H new ATOM 0 HA ARG A 82 14.827 12.496 -10.403 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.187 11.833 -11.999 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.677 10.776 -10.690 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.473 9.010 -12.064 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.750 9.303 -12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.514 9.399 -14.444 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.340 11.083 -13.989 1.00 0.00 H new ATOM 0 HE ARG A 82 17.906 10.769 -13.307 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.206 9.525 -16.183 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.675 9.487 -17.163 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.765 10.669 -14.592 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.671 10.128 -16.271 1.00 0.00 H new ATOM 1313 N ILE A 83 12.698 10.085 -11.147 1.00 0.00 N ATOM 1314 CA ILE A 83 11.423 9.752 -11.777 1.00 0.00 C ATOM 1315 C ILE A 83 10.267 10.066 -10.817 1.00 0.00 C ATOM 1316 O ILE A 83 9.790 9.249 -10.034 1.00 0.00 O ATOM 1317 CB ILE A 83 11.365 8.309 -12.279 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.872 7.336 -11.221 1.00 0.00 C ATOM 1319 CG2 ILE A 83 12.077 8.098 -13.618 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.943 6.155 -11.159 1.00 0.00 C ATOM 0 H ILE A 83 13.077 9.346 -10.555 1.00 0.00 H new ATOM 0 HA ILE A 83 11.323 10.376 -12.665 1.00 0.00 H new ATOM 0 HB ILE A 83 10.312 8.098 -12.465 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.883 7.008 -11.464 1.00 0.00 H new ATOM 0 HG13 ILE A 83 11.922 7.828 -10.250 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.995 7.052 -13.913 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.614 8.726 -14.379 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.129 8.366 -13.517 1.00 0.00 H new ATOM 0 HD11 ILE A 83 11.297 5.453 -10.405 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.941 6.494 -10.897 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.917 5.661 -12.130 1.00 0.00 H new ATOM 1332 N THR A 84 9.875 11.340 -10.985 1.00 0.00 N ATOM 1333 CA THR A 84 8.786 11.945 -10.238 1.00 0.00 C ATOM 1334 C THR A 84 7.664 12.258 -11.239 1.00 0.00 C ATOM 1335 O THR A 84 7.875 12.440 -12.434 1.00 0.00 O ATOM 1336 CB THR A 84 9.282 13.260 -9.559 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.687 13.407 -9.158 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.404 13.531 -8.314 1.00 0.00 C ATOM 0 H THR A 84 10.316 11.975 -11.651 1.00 0.00 H new ATOM 0 HA THR A 84 8.427 11.273 -9.458 1.00 0.00 H new ATOM 0 HB THR A 84 9.191 13.979 -10.373 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.099 12.521 -9.079 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.737 14.447 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.363 13.640 -8.619 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.492 12.697 -7.618 1.00 0.00 H new ATOM 1346 N PHE A 85 6.469 12.300 -10.634 1.00 0.00 N ATOM 1347 CA PHE A 85 5.216 12.542 -11.352 1.00 0.00 C ATOM 1348 C PHE A 85 4.370 13.493 -10.492 1.00 0.00 C ATOM 1349 O PHE A 85 4.565 13.510 -9.293 1.00 0.00 O ATOM 1350 CB PHE A 85 4.520 11.176 -11.532 1.00 0.00 C ATOM 1351 CG PHE A 85 5.402 10.232 -12.306 1.00 0.00 C ATOM 1352 CD1 PHE A 85 6.351 9.456 -11.643 1.00 0.00 C ATOM 1353 CD2 PHE A 85 5.318 10.157 -13.692 1.00 0.00 C ATOM 1354 CE1 PHE A 85 7.235 8.658 -12.350 1.00 0.00 C ATOM 1355 CE2 PHE A 85 6.195 9.344 -14.404 1.00 0.00 C ATOM 1356 CZ PHE A 85 7.161 8.603 -13.733 1.00 0.00 C ATOM 0 H PHE A 85 6.347 12.166 -9.630 1.00 0.00 H new ATOM 0 HA PHE A 85 5.369 12.994 -12.332 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.288 10.748 -10.557 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.573 11.310 -12.055 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.398 9.477 -10.564 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.570 10.732 -14.218 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.981 8.080 -11.825 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.125 9.289 -15.480 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.852 7.986 -14.288 1.00 0.00 H new ATOM 1366 N PRO A 86 3.441 14.288 -11.105 1.00 0.00 N ATOM 1367 CA PRO A 86 2.581 15.235 -10.364 1.00 0.00 C ATOM 1368 C PRO A 86 1.402 14.570 -9.623 1.00 0.00 C ATOM 1369 O PRO A 86 0.594 15.241 -8.995 1.00 0.00 O ATOM 1370 CB PRO A 86 2.012 16.139 -11.472 1.00 0.00 C ATOM 1371 CG PRO A 86 2.060 15.283 -12.742 1.00 0.00 C ATOM 1372 CD PRO A 86 3.262 14.361 -12.553 1.00 0.00 C ATOM 0 HA PRO A 86 3.158 15.741 -9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.993 16.450 -11.244 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.605 17.047 -11.585 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.140 14.712 -12.868 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.174 15.903 -13.631 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.078 13.375 -12.981 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.150 14.760 -13.043 1.00 0.00 H new ATOM 1380 N THR A 87 1.348 13.235 -9.752 1.00 0.00 N ATOM 1381 CA THR A 87 0.345 12.394 -9.112 1.00 0.00 C ATOM 1382 C THR A 87 0.680 10.973 -9.533 1.00 0.00 C ATOM 1383 O THR A 87 1.479 10.756 -10.437 1.00 0.00 O ATOM 1384 CB THR A 87 -1.138 12.643 -9.516 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.171 11.732 -9.007 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.252 12.900 -11.029 1.00 0.00 C ATOM 0 H THR A 87 2.015 12.708 -10.316 1.00 0.00 H new ATOM 0 HA THR A 87 0.393 12.611 -8.045 1.00 0.00 H new ATOM 0 HB THR A 87 -1.395 13.545 -8.961 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.048 12.013 -9.341 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.296 13.072 -11.291 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.662 13.777 -11.294 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.879 12.033 -11.574 1.00 0.00 H new ATOM 1394 N LEU A 88 0.017 10.014 -8.857 1.00 0.00 N ATOM 1395 CA LEU A 88 0.277 8.644 -9.240 1.00 0.00 C ATOM 1396 C LEU A 88 -0.301 8.378 -10.629 1.00 0.00 C ATOM 1397 O LEU A 88 0.240 7.529 -11.304 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.381 7.592 -8.338 1.00 0.00 C ATOM 1399 CG LEU A 88 0.041 7.588 -6.882 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -0.928 6.716 -6.111 1.00 0.00 C ATOM 1401 CD2 LEU A 88 1.420 6.995 -6.665 1.00 0.00 C ATOM 0 H LEU A 88 -0.651 10.159 -8.100 1.00 0.00 H new ATOM 0 HA LEU A 88 1.361 8.548 -9.178 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.461 7.735 -8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.173 6.607 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 88 0.051 8.626 -6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.644 6.698 -5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.936 7.119 -6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.903 5.702 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.664 7.021 -5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.431 5.963 -7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.157 7.575 -7.221 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.371 9.099 -11.077 1.00 0.00 N ATOM 1414 CA GLN A 89 -1.874 8.663 -12.399 1.00 0.00 C ATOM 1415 C GLN A 89 -0.859 8.783 -13.541 1.00 0.00 C ATOM 1416 O GLN A 89 -0.835 7.943 -14.422 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.299 9.061 -12.787 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.631 10.532 -12.847 1.00 0.00 C ATOM 1419 CD GLN A 89 -2.868 11.366 -13.893 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -2.647 12.557 -13.724 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -2.483 10.680 -14.981 1.00 0.00 N ATOM 0 H GLN A 89 -1.842 9.877 -10.615 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.993 7.594 -12.221 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.512 8.630 -13.765 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -3.982 8.593 -12.078 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.699 10.633 -13.043 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.445 10.964 -11.864 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.699 9.686 -15.060 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -1.974 11.152 -15.728 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.018 9.831 -13.473 1.00 0.00 N ATOM 1431 CA ALA A 90 0.990 10.021 -14.522 1.00 0.00 C ATOM 1432 C ALA A 90 2.122 8.963 -14.445 1.00 0.00 C ATOM 1433 O ALA A 90 2.950 8.828 -15.337 1.00 0.00 O ATOM 1434 CB ALA A 90 1.571 11.430 -14.415 1.00 0.00 C ATOM 0 H ALA A 90 -0.016 10.532 -12.732 1.00 0.00 H new ATOM 0 HA ALA A 90 0.501 9.893 -15.488 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.320 11.575 -15.193 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.774 12.163 -14.539 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.034 11.559 -13.437 1.00 0.00 H new ATOM 1440 N LEU A 91 2.094 8.238 -13.319 1.00 0.00 N ATOM 1441 CA LEU A 91 2.994 7.147 -12.992 1.00 0.00 C ATOM 1442 C LEU A 91 2.339 5.832 -13.476 1.00 0.00 C ATOM 1443 O LEU A 91 3.000 4.962 -14.023 1.00 0.00 O ATOM 1444 CB LEU A 91 3.289 7.311 -11.480 1.00 0.00 C ATOM 1445 CG LEU A 91 3.593 6.091 -10.597 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.148 6.577 -9.250 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.322 5.289 -10.300 1.00 0.00 C ATOM 0 H LEU A 91 1.408 8.412 -12.584 1.00 0.00 H new ATOM 0 HA LEU A 91 3.964 7.139 -13.490 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.138 7.989 -11.392 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.430 7.818 -11.040 1.00 0.00 H new ATOM 0 HG LEU A 91 4.307 5.462 -11.129 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.367 5.718 -8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.062 7.147 -9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.409 7.211 -8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.570 4.432 -9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.605 5.924 -9.780 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.885 4.940 -11.236 1.00 0.00 H new ATOM 1459 N VAL A 92 1.000 5.763 -13.296 1.00 0.00 N ATOM 1460 CA VAL A 92 0.192 4.611 -13.679 1.00 0.00 C ATOM 1461 C VAL A 92 -0.094 4.614 -15.211 1.00 0.00 C ATOM 1462 O VAL A 92 -0.410 3.584 -15.789 1.00 0.00 O ATOM 1463 CB VAL A 92 -1.111 4.591 -12.825 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.608 3.186 -12.609 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.993 5.102 -11.383 1.00 0.00 C ATOM 0 H VAL A 92 0.457 6.518 -12.876 1.00 0.00 H new ATOM 0 HA VAL A 92 0.742 3.692 -13.476 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.756 5.240 -13.417 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.518 3.210 -12.010 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.820 2.723 -13.573 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.846 2.606 -12.088 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.965 5.038 -10.894 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.272 4.492 -10.839 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.659 6.139 -11.391 1.00 0.00 H new ATOM 1475 N GLN A 93 0.063 5.822 -15.820 1.00 0.00 N ATOM 1476 CA GLN A 93 -0.150 6.090 -17.247 1.00 0.00 C ATOM 1477 C GLN A 93 1.122 5.663 -17.992 1.00 0.00 C ATOM 1478 O GLN A 93 1.099 5.014 -19.030 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.483 7.581 -17.544 1.00 0.00 C ATOM 1480 CG GLN A 93 0.713 8.508 -17.833 1.00 0.00 C ATOM 1481 CD GLN A 93 0.314 9.973 -18.008 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -0.817 10.384 -17.784 1.00 0.00 O ATOM 1483 NE2 GLN A 93 1.343 10.731 -18.412 1.00 0.00 N ATOM 0 H GLN A 93 0.350 6.654 -15.304 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.017 5.523 -17.585 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.157 7.616 -18.400 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.030 7.985 -16.692 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.431 8.429 -17.016 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.219 8.166 -18.736 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.256 10.306 -18.576 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.213 11.733 -18.555 1.00 0.00 H new ATOM 1492 N HIS A 94 2.232 6.086 -17.341 1.00 0.00 N ATOM 1493 CA HIS A 94 3.591 5.840 -17.778 1.00 0.00 C ATOM 1494 C HIS A 94 3.809 4.332 -17.857 1.00 0.00 C ATOM 1495 O HIS A 94 4.349 3.816 -18.826 1.00 0.00 O ATOM 1496 CB HIS A 94 4.523 6.534 -16.769 1.00 0.00 C ATOM 1497 CG HIS A 94 5.977 6.170 -16.958 1.00 0.00 C ATOM 1498 ND1 HIS A 94 6.843 6.071 -15.929 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.664 5.891 -18.150 1.00 0.00 C ATOM 1500 CE1 HIS A 94 8.024 5.741 -16.475 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.944 5.626 -17.813 1.00 0.00 N ATOM 0 H HIS A 94 2.185 6.622 -16.474 1.00 0.00 H new ATOM 0 HA HIS A 94 3.799 6.242 -18.769 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.410 7.614 -16.862 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.216 6.268 -15.757 1.00 0.00 H new ATOM 0 HD1 HIS A 94 6.642 6.217 -14.940 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.248 5.889 -19.147 1.00 0.00 H new ATOM 0 HE1 HIS A 94 8.930 5.586 -15.908 1.00 0.00 H new ATOM 1509 N TYR A 95 3.311 3.667 -16.789 1.00 0.00 N ATOM 1510 CA TYR A 95 3.428 2.218 -16.739 1.00 0.00 C ATOM 1511 C TYR A 95 2.381 1.528 -17.610 1.00 0.00 C ATOM 1512 O TYR A 95 2.553 0.372 -17.955 1.00 0.00 O ATOM 1513 CB TYR A 95 3.532 1.686 -15.312 1.00 0.00 C ATOM 1514 CG TYR A 95 4.716 2.259 -14.577 1.00 0.00 C ATOM 1515 CD1 TYR A 95 5.963 2.378 -15.186 1.00 0.00 C ATOM 1516 CD2 TYR A 95 4.573 2.690 -13.269 1.00 0.00 C ATOM 1517 CE1 TYR A 95 7.041 2.944 -14.530 1.00 0.00 C ATOM 1518 CE2 TYR A 95 5.639 3.250 -12.585 1.00 0.00 C ATOM 1519 CZ TYR A 95 6.878 3.399 -13.219 1.00 0.00 C ATOM 1520 OH TYR A 95 7.936 3.987 -12.555 1.00 0.00 O ATOM 0 H TYR A 95 2.847 4.100 -15.990 1.00 0.00 H new ATOM 0 HA TYR A 95 4.383 1.950 -17.191 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.618 1.926 -14.769 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.612 0.599 -15.336 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.091 2.019 -16.196 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.618 2.588 -12.776 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.997 3.033 -15.025 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.514 3.572 -11.562 1.00 0.00 H new ATOM 0 HH TYR A 95 7.595 4.642 -11.911 1.00 0.00 H new ATOM 1530 N SER A 96 1.308 2.255 -17.992 1.00 0.00 N ATOM 1531 CA SER A 96 0.357 1.591 -18.893 1.00 0.00 C ATOM 1532 C SER A 96 0.970 1.388 -20.310 1.00 0.00 C ATOM 1533 O SER A 96 0.416 0.649 -21.112 1.00 0.00 O ATOM 1534 CB SER A 96 -0.977 2.397 -18.982 1.00 0.00 C ATOM 1535 OG SER A 96 -1.850 2.605 -17.797 1.00 0.00 O ATOM 0 H SER A 96 1.093 3.214 -17.719 1.00 0.00 H new ATOM 0 HA SER A 96 0.138 0.607 -18.478 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.722 3.386 -19.363 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.589 1.911 -19.742 1.00 0.00 H new ATOM 0 HG SER A 96 -1.297 2.668 -16.990 1.00 0.00 H new ATOM 1541 N LYS A 97 2.132 2.055 -20.567 1.00 0.00 N ATOM 1542 CA LYS A 97 2.811 1.960 -21.863 1.00 0.00 C ATOM 1543 C LYS A 97 4.214 1.303 -21.810 1.00 0.00 C ATOM 1544 O LYS A 97 4.502 0.380 -22.565 1.00 0.00 O ATOM 1545 CB LYS A 97 2.959 3.383 -22.442 1.00 0.00 C ATOM 1546 CG LYS A 97 1.741 3.869 -23.233 1.00 0.00 C ATOM 1547 CD LYS A 97 0.495 4.181 -22.397 1.00 0.00 C ATOM 1548 CE LYS A 97 -0.576 4.878 -23.244 1.00 0.00 C ATOM 1549 NZ LYS A 97 -1.774 5.251 -22.498 1.00 0.00 N ATOM 0 H LYS A 97 2.603 2.656 -19.890 1.00 0.00 H new ATOM 0 HA LYS A 97 2.193 1.314 -22.486 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.148 4.078 -21.624 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.834 3.410 -23.091 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.022 4.766 -23.784 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.482 3.110 -23.971 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.091 3.258 -21.982 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.768 4.817 -21.555 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.145 5.774 -23.691 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.862 4.219 -24.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.450 5.716 -23.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.210 4.398 -22.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.516 5.905 -21.732 1.00 0.00 H new ATOM 1563 N LYS A 98 5.071 1.819 -20.905 1.00 0.00 N ATOM 1564 CA LYS A 98 6.450 1.372 -20.760 1.00 0.00 C ATOM 1565 C LYS A 98 6.740 0.931 -19.317 1.00 0.00 C ATOM 1566 O LYS A 98 6.184 1.470 -18.379 1.00 0.00 O ATOM 1567 CB LYS A 98 7.296 2.602 -21.054 1.00 0.00 C ATOM 1568 CG LYS A 98 8.748 2.216 -21.297 1.00 0.00 C ATOM 1569 CD LYS A 98 9.467 3.297 -22.090 1.00 0.00 C ATOM 1570 CE LYS A 98 10.508 2.668 -23.008 1.00 0.00 C ATOM 1571 NZ LYS A 98 11.711 2.265 -22.284 1.00 0.00 N ATOM 0 H LYS A 98 4.813 2.562 -20.255 1.00 0.00 H new ATOM 0 HA LYS A 98 6.656 0.528 -21.419 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.902 3.119 -21.929 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.236 3.298 -20.218 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.253 2.061 -20.343 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.792 1.271 -21.838 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.748 3.866 -22.679 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.948 3.999 -21.409 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.075 1.798 -23.503 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.777 3.378 -23.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.546 2.425 -22.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.797 2.827 -21.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.648 1.256 -22.040 1.00 0.00 H new ATOM 1585 N GLY A 99 7.659 -0.050 -19.199 1.00 0.00 N ATOM 1586 CA GLY A 99 8.113 -0.577 -17.910 1.00 0.00 C ATOM 1587 C GLY A 99 9.559 -0.099 -17.728 1.00 0.00 C ATOM 1588 O GLY A 99 10.504 -0.863 -17.591 1.00 0.00 O ATOM 0 H GLY A 99 8.104 -0.495 -20.002 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.480 -0.216 -17.099 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.060 -1.666 -17.896 1.00 0.00 H new ATOM 1592 N ASP A 100 9.621 1.246 -17.760 1.00 0.00 N ATOM 1593 CA ASP A 100 10.824 2.068 -17.718 1.00 0.00 C ATOM 1594 C ASP A 100 11.535 2.152 -16.356 1.00 0.00 C ATOM 1595 O ASP A 100 12.393 3.003 -16.158 1.00 0.00 O ATOM 1596 CB ASP A 100 10.413 3.485 -18.173 1.00 0.00 C ATOM 1597 CG ASP A 100 11.554 4.236 -18.880 1.00 0.00 C ATOM 1598 OD1 ASP A 100 12.095 3.705 -19.851 1.00 0.00 O ATOM 1599 OD2 ASP A 100 11.890 5.340 -18.457 1.00 0.00 O ATOM 0 H ASP A 100 8.775 1.813 -17.820 1.00 0.00 H new ATOM 0 HA ASP A 100 11.556 1.593 -18.371 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.559 3.412 -18.847 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.087 4.060 -17.306 1.00 0.00 H new ATOM 1604 N GLY A 101 11.158 1.257 -15.435 1.00 0.00 N ATOM 1605 CA GLY A 101 11.832 1.335 -14.138 1.00 0.00 C ATOM 1606 C GLY A 101 11.398 0.278 -13.129 1.00 0.00 C ATOM 1607 O GLY A 101 12.107 -0.009 -12.172 1.00 0.00 O ATOM 0 H GLY A 101 10.452 0.530 -15.546 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.907 1.246 -14.297 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.653 2.321 -13.710 1.00 0.00 H new ATOM 1611 N LEU A 102 10.204 -0.283 -13.389 1.00 0.00 N ATOM 1612 CA LEU A 102 9.668 -1.295 -12.488 1.00 0.00 C ATOM 1613 C LEU A 102 10.300 -2.676 -12.766 1.00 0.00 C ATOM 1614 O LEU A 102 11.366 -3.010 -12.264 1.00 0.00 O ATOM 1615 CB LEU A 102 8.132 -1.266 -12.599 1.00 0.00 C ATOM 1616 CG LEU A 102 7.495 0.086 -12.242 1.00 0.00 C ATOM 1617 CD1 LEU A 102 5.997 -0.102 -12.031 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.089 0.766 -11.003 1.00 0.00 C ATOM 0 H LEU A 102 9.615 -0.057 -14.190 1.00 0.00 H new ATOM 0 HA LEU A 102 9.930 -1.079 -11.452 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.849 -1.530 -13.618 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.718 -2.033 -11.944 1.00 0.00 H new ATOM 0 HG LEU A 102 7.708 0.745 -13.083 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.542 0.856 -11.778 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.546 -0.487 -12.946 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.830 -0.809 -11.219 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.578 1.713 -10.828 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.960 0.118 -10.136 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.151 0.951 -11.163 1.00 0.00 H new ATOM 1630 N CYS A 103 9.566 -3.443 -13.588 1.00 0.00 N ATOM 1631 CA CYS A 103 9.956 -4.793 -13.980 1.00 0.00 C ATOM 1632 C CYS A 103 8.952 -5.332 -15.011 1.00 0.00 C ATOM 1633 O CYS A 103 9.312 -6.003 -15.969 1.00 0.00 O ATOM 1634 CB CYS A 103 10.036 -5.723 -12.755 1.00 0.00 C ATOM 1635 SG CYS A 103 8.683 -5.501 -11.569 1.00 0.00 S ATOM 0 H CYS A 103 8.683 -3.137 -13.997 1.00 0.00 H new ATOM 0 HA CYS A 103 10.949 -4.760 -14.429 1.00 0.00 H new ATOM 0 HB2 CYS A 103 10.039 -6.758 -13.097 1.00 0.00 H new ATOM 0 HB3 CYS A 103 10.984 -5.553 -12.245 1.00 0.00 H new ATOM 0 HG CYS A 103 7.741 -6.361 -11.820 1.00 0.00 H new ATOM 1641 N GLN A 104 7.679 -4.977 -14.744 1.00 0.00 N ATOM 1642 CA GLN A 104 6.548 -5.343 -15.573 1.00 0.00 C ATOM 1643 C GLN A 104 5.535 -4.228 -15.353 1.00 0.00 C ATOM 1644 O GLN A 104 4.949 -4.066 -14.290 1.00 0.00 O ATOM 1645 CB GLN A 104 5.905 -6.695 -15.209 1.00 0.00 C ATOM 1646 CG GLN A 104 6.827 -7.924 -15.349 1.00 0.00 C ATOM 1647 CD GLN A 104 7.565 -8.271 -14.049 1.00 0.00 C ATOM 1648 OE1 GLN A 104 7.403 -7.640 -13.015 1.00 0.00 O ATOM 1649 NE2 GLN A 104 8.376 -9.331 -14.168 1.00 0.00 N ATOM 0 H GLN A 104 7.420 -4.419 -13.930 1.00 0.00 H new ATOM 0 HA GLN A 104 6.876 -5.459 -16.606 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.549 -6.644 -14.180 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.030 -6.844 -15.842 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.234 -8.782 -15.664 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.557 -7.736 -16.136 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.461 -9.810 -15.065 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.908 -9.659 -13.362 1.00 0.00 H new ATOM 1658 N LYS A 105 5.398 -3.471 -16.449 1.00 0.00 N ATOM 1659 CA LYS A 105 4.511 -2.334 -16.503 1.00 0.00 C ATOM 1660 C LYS A 105 3.069 -2.836 -16.296 1.00 0.00 C ATOM 1661 O LYS A 105 2.784 -4.026 -16.284 1.00 0.00 O ATOM 1662 CB LYS A 105 4.671 -1.670 -17.881 1.00 0.00 C ATOM 1663 CG LYS A 105 3.716 -2.186 -18.978 1.00 0.00 C ATOM 1664 CD LYS A 105 4.097 -1.722 -20.370 1.00 0.00 C ATOM 1665 CE LYS A 105 5.128 -2.643 -20.984 1.00 0.00 C ATOM 1666 NZ LYS A 105 5.308 -2.375 -22.408 1.00 0.00 N ATOM 0 H LYS A 105 5.906 -3.641 -17.317 1.00 0.00 H new ATOM 0 HA LYS A 105 4.743 -1.604 -15.728 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.521 -0.596 -17.768 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.697 -1.815 -18.219 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.704 -3.276 -18.956 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.703 -1.851 -18.755 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.210 -1.690 -21.002 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.492 -0.707 -20.324 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.080 -2.521 -20.467 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.820 -3.679 -20.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.301 -2.540 -22.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.695 -3.008 -22.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.057 -1.386 -22.610 1.00 0.00 H new ATOM 1680 N LEU A 106 2.202 -1.829 -16.187 1.00 0.00 N ATOM 1681 CA LEU A 106 0.781 -2.051 -15.978 1.00 0.00 C ATOM 1682 C LEU A 106 0.142 -2.730 -17.202 1.00 0.00 C ATOM 1683 O LEU A 106 0.622 -2.641 -18.324 1.00 0.00 O ATOM 1684 CB LEU A 106 0.069 -0.693 -15.811 1.00 0.00 C ATOM 1685 CG LEU A 106 0.347 0.111 -14.529 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -0.869 0.171 -13.603 1.00 0.00 C ATOM 1687 CD2 LEU A 106 1.469 -0.449 -13.688 1.00 0.00 C ATOM 0 H LEU A 106 2.467 -0.846 -16.241 1.00 0.00 H new ATOM 0 HA LEU A 106 0.674 -2.680 -15.094 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.337 -0.068 -16.663 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.005 -0.869 -15.870 1.00 0.00 H new ATOM 0 HG LEU A 106 0.615 1.097 -14.909 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.621 0.749 -12.713 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.700 0.646 -14.124 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.154 -0.840 -13.311 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.605 0.172 -12.802 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.223 -1.466 -13.384 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.391 -0.457 -14.270 1.00 0.00 H new ATOM 1699 N THR A 107 -0.975 -3.412 -16.904 1.00 0.00 N ATOM 1700 CA THR A 107 -1.722 -4.083 -17.962 1.00 0.00 C ATOM 1701 C THR A 107 -3.204 -3.887 -17.704 1.00 0.00 C ATOM 1702 O THR A 107 -3.904 -3.186 -18.425 1.00 0.00 O ATOM 1703 CB THR A 107 -1.367 -5.596 -18.079 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.785 -6.565 -17.052 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.147 -5.732 -18.392 1.00 0.00 C ATOM 0 H THR A 107 -1.366 -3.509 -15.967 1.00 0.00 H new ATOM 0 HA THR A 107 -1.446 -3.638 -18.918 1.00 0.00 H new ATOM 0 HB THR A 107 -2.024 -5.915 -18.888 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.994 -7.007 -16.678 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.408 -6.787 -18.476 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.371 -5.227 -19.331 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.727 -5.278 -17.588 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.613 -4.554 -16.609 1.00 0.00 N ATOM 1714 CA LEU A 108 -5.009 -4.484 -16.195 1.00 0.00 C ATOM 1715 C LEU A 108 -5.020 -4.455 -14.666 1.00 0.00 C ATOM 1716 O LEU A 108 -4.660 -5.444 -14.051 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.780 -5.726 -16.645 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.611 -6.109 -18.120 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.935 -7.588 -18.335 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.466 -5.200 -19.007 1.00 0.00 C ATOM 0 H LEU A 108 -3.012 -5.128 -16.017 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.476 -3.604 -16.636 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.466 -6.570 -16.030 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.840 -5.565 -16.448 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.569 -5.963 -18.406 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.809 -7.839 -19.388 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.262 -8.199 -17.733 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.965 -7.782 -18.037 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.336 -5.484 -20.051 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.515 -5.304 -18.731 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.157 -4.164 -18.871 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.448 -3.329 -14.052 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.447 -3.219 -12.599 1.00 0.00 C ATOM 1734 C PRO A 109 -6.563 -4.075 -11.982 1.00 0.00 C ATOM 1735 O PRO A 109 -7.704 -3.660 -11.813 1.00 0.00 O ATOM 1736 CB PRO A 109 -5.663 -1.725 -12.374 1.00 0.00 C ATOM 1737 CG PRO A 109 -6.450 -1.253 -13.600 1.00 0.00 C ATOM 1738 CD PRO A 109 -6.022 -2.186 -14.736 1.00 0.00 C ATOM 0 HA PRO A 109 -4.534 -3.583 -12.128 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -6.217 -1.540 -11.454 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.713 -1.197 -12.286 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.524 -1.313 -13.425 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.223 -0.214 -13.837 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.870 -2.476 -15.356 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.296 -1.708 -15.393 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.061 -5.286 -11.651 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.695 -6.458 -11.049 1.00 0.00 C ATOM 1748 C CYS A 110 -8.228 -6.541 -11.275 1.00 0.00 C ATOM 1749 O CYS A 110 -8.774 -6.023 -12.241 1.00 0.00 O ATOM 1750 CB CYS A 110 -6.241 -6.563 -9.580 1.00 0.00 C ATOM 1751 SG CYS A 110 -6.390 -8.214 -8.843 1.00 0.00 S ATOM 0 H CYS A 110 -5.075 -5.478 -11.827 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.353 -7.353 -11.570 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -5.200 -6.246 -9.514 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.826 -5.862 -8.984 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.064 -8.987 -9.642 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.876 -7.244 -10.329 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.322 -7.411 -10.337 1.00 0.00 C ATOM 1759 C VAL A 111 -10.734 -7.480 -8.862 1.00 0.00 C ATOM 1760 O VAL A 111 -10.216 -8.280 -8.093 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.775 -8.653 -11.138 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -10.432 -8.548 -12.632 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -10.226 -9.968 -10.569 1.00 0.00 C ATOM 0 H VAL A 111 -8.408 -7.705 -9.548 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.811 -6.580 -10.846 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.860 -8.671 -11.035 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.772 -9.446 -13.147 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.927 -7.676 -13.059 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -9.353 -8.448 -12.751 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.580 -10.802 -11.175 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.136 -9.944 -10.585 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -10.572 -10.093 -9.543 1.00 0.00 H new ATOM 1773 N ASN A 112 -11.667 -6.574 -8.503 1.00 0.00 N ATOM 1774 CA ASN A 112 -12.135 -6.534 -7.119 1.00 0.00 C ATOM 1775 C ASN A 112 -13.087 -7.708 -6.821 1.00 0.00 C ATOM 1776 O ASN A 112 -13.135 -8.225 -5.712 1.00 0.00 O ATOM 1777 CB ASN A 112 -12.809 -5.177 -6.847 1.00 0.00 C ATOM 1778 CG ASN A 112 -12.777 -4.825 -5.351 1.00 0.00 C ATOM 1779 OD1 ASN A 112 -11.760 -4.967 -4.683 1.00 0.00 O ATOM 1780 ND2 ASN A 112 -13.940 -4.352 -4.877 1.00 0.00 N ATOM 0 H ASN A 112 -12.091 -5.890 -9.129 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.281 -6.641 -6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -12.304 -4.397 -7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -13.842 -5.206 -7.194 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -14.019 -4.082 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -14.745 -4.263 -5.497 1.00 0.00 H new ATOM 1787 N LEU A 113 -13.823 -8.080 -7.895 1.00 0.00 N ATOM 1788 CA LEU A 113 -14.799 -9.166 -7.867 1.00 0.00 C ATOM 1789 C LEU A 113 -15.911 -8.873 -6.838 1.00 0.00 C ATOM 1790 O LEU A 113 -15.923 -9.390 -5.728 1.00 0.00 O ATOM 1791 CB LEU A 113 -14.093 -10.518 -7.654 1.00 0.00 C ATOM 1792 CG LEU A 113 -15.000 -11.752 -7.817 1.00 0.00 C ATOM 1793 CD1 LEU A 113 -15.662 -11.817 -9.201 1.00 0.00 C ATOM 1794 CD2 LEU A 113 -14.196 -13.032 -7.553 1.00 0.00 C ATOM 0 H LEU A 113 -13.747 -7.625 -8.805 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.298 -9.234 -8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -13.267 -10.596 -8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -13.660 -10.532 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.802 -11.663 -7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -16.290 -12.706 -9.262 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -16.275 -10.928 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -14.892 -11.863 -9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -14.845 -13.900 -7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -13.371 -13.097 -8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -13.800 -13.010 -6.538 1.00 0.00 H new ATOM 1806 N ALA A 114 -16.825 -7.999 -7.316 1.00 0.00 N ATOM 1807 CA ALA A 114 -17.978 -7.523 -6.551 1.00 0.00 C ATOM 1808 C ALA A 114 -17.546 -6.487 -5.482 1.00 0.00 C ATOM 1809 O ALA A 114 -16.547 -5.795 -5.697 1.00 0.00 O ATOM 1810 CB ALA A 114 -18.805 -8.693 -5.987 1.00 0.00 C ATOM 1811 OXT ALA A 114 -18.213 -6.374 -4.452 1.00 0.00 O ATOM 0 H ALA A 114 -16.774 -7.605 -8.256 1.00 0.00 H new ATOM 0 HA ALA A 114 -18.650 -6.994 -7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -19.653 -8.302 -5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -19.168 -9.311 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -18.180 -9.296 -5.328 1.00 0.00 H new TER 1817 ALA A 114