USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= -1.52 (180deg=-5.65!) USER MOD Single : A 30 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 36 SER OG : rot -156:sc= -1.12 USER MOD Single : A 48 TYR OH : rot -1:sc= -0.952 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.15) USER MOD Single : A 56 THR OG1 : rot -80:sc= 1.25 USER MOD Single : A 63 THR OG1 : rot -120:sc= 0 USER MOD Single : A 71 THR OG1 : rot -43:sc= 1.11 USER MOD Single : A 74 ASN : amide:sc= 0.917 K(o=0.92,f=-7.4!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -156:sc= -4.41! (180deg=-6.53!) USER MOD Single : A 91 GLN : amide:sc= -0.391 K(o=-0.39,f=-2.2!) USER MOD Single : A 94 LYS NZ :NH3+ 155:sc= -0.0578 (180deg=-0.445) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 100 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-3.1!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.35 K(o=-1.3,f=-2.8) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 137:sc= -1.69! (180deg=-2.02!) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 19 0.712 -5.481 -8.552 1.00 0.00 N ATOM 16 CA VAL A 19 0.373 -4.289 -9.318 1.00 0.00 C ATOM 17 C VAL A 19 1.208 -3.091 -8.866 1.00 0.00 C ATOM 18 O VAL A 19 0.978 -2.541 -7.791 1.00 0.00 O ATOM 19 CB VAL A 19 -1.120 -3.935 -9.181 1.00 0.00 C ATOM 20 CG1 VAL A 19 -1.503 -2.843 -10.167 1.00 0.00 C ATOM 21 CG2 VAL A 19 -1.984 -5.172 -9.381 1.00 0.00 C ATOM 0 HA VAL A 19 0.591 -4.513 -10.362 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.294 -3.559 -8.173 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.561 -2.607 -10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.909 -1.950 -9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.314 -3.188 -11.184 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.035 -4.902 -9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.808 -5.582 -10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.728 -5.920 -8.630 1.00 0.00 H new ATOM 31 N PRO A 20 2.193 -2.668 -9.682 1.00 0.00 N ATOM 32 CA PRO A 20 3.054 -1.529 -9.347 1.00 0.00 C ATOM 33 C PRO A 20 2.278 -0.219 -9.263 1.00 0.00 C ATOM 34 O PRO A 20 1.864 0.336 -10.279 1.00 0.00 O ATOM 35 CB PRO A 20 4.062 -1.481 -10.501 1.00 0.00 C ATOM 36 CG PRO A 20 3.398 -2.200 -11.624 1.00 0.00 C ATOM 37 CD PRO A 20 2.544 -3.260 -10.985 1.00 0.00 C ATOM 0 HA PRO A 20 3.518 -1.649 -8.368 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.299 -0.453 -10.776 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.001 -1.961 -10.225 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.793 -1.518 -12.221 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.135 -2.643 -12.294 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.657 -3.476 -11.581 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.086 -4.198 -10.868 1.00 0.00 H new ATOM 45 N GLY A 21 2.087 0.268 -8.042 1.00 0.00 N ATOM 46 CA GLY A 21 1.362 1.511 -7.843 1.00 0.00 C ATOM 47 C GLY A 21 2.072 2.447 -6.885 1.00 0.00 C ATOM 48 O GLY A 21 2.322 2.095 -5.733 1.00 0.00 O ATOM 0 H GLY A 21 2.421 -0.175 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.231 2.010 -8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.366 1.290 -7.460 1.00 0.00 H new ATOM 52 N LYS A 22 2.401 3.642 -7.365 1.00 0.00 N ATOM 53 CA LYS A 22 3.091 4.631 -6.542 1.00 0.00 C ATOM 54 C LYS A 22 2.130 5.721 -6.078 1.00 0.00 C ATOM 55 O LYS A 22 1.282 6.181 -6.841 1.00 0.00 O ATOM 56 CB LYS A 22 4.247 5.256 -7.324 1.00 0.00 C ATOM 57 CG LYS A 22 3.812 5.949 -8.604 1.00 0.00 C ATOM 58 CD LYS A 22 4.845 6.963 -9.068 1.00 0.00 C ATOM 59 CE LYS A 22 5.714 6.404 -10.185 1.00 0.00 C ATOM 60 NZ LYS A 22 5.236 6.833 -11.528 1.00 0.00 N ATOM 0 H LYS A 22 2.202 3.949 -8.317 1.00 0.00 H new ATOM 0 HA LYS A 22 3.486 4.122 -5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.758 5.977 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.971 4.479 -7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.654 5.206 -9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.857 6.449 -8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.341 7.865 -9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.474 7.253 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.743 6.734 -10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.718 5.315 -10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.855 6.431 -12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.263 6.497 -11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.256 7.871 -11.588 1.00 0.00 H new ATOM 74 N VAL A 23 2.273 6.131 -4.822 1.00 0.00 N ATOM 75 CA VAL A 23 1.420 7.169 -4.257 1.00 0.00 C ATOM 76 C VAL A 23 2.243 8.191 -3.477 1.00 0.00 C ATOM 77 O VAL A 23 3.081 7.827 -2.651 1.00 0.00 O ATOM 78 CB VAL A 23 0.344 6.571 -3.328 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.987 5.839 -2.160 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.601 7.656 -2.833 1.00 0.00 C ATOM 0 H VAL A 23 2.971 5.760 -4.177 1.00 0.00 H new ATOM 0 HA VAL A 23 0.928 7.665 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.238 5.849 -3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.210 5.425 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.614 5.031 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.599 6.535 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.353 7.213 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.036 8.406 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.093 8.127 -3.684 1.00 0.00 H new ATOM 90 N THR A 24 1.999 9.468 -3.746 1.00 0.00 N ATOM 91 CA THR A 24 2.719 10.542 -3.071 1.00 0.00 C ATOM 92 C THR A 24 1.980 10.985 -1.813 1.00 0.00 C ATOM 93 O THR A 24 1.035 11.773 -1.878 1.00 0.00 O ATOM 94 CB THR A 24 2.902 11.733 -4.013 1.00 0.00 C ATOM 95 OG1 THR A 24 3.133 11.291 -5.339 1.00 0.00 O ATOM 96 CG2 THR A 24 4.053 12.635 -3.622 1.00 0.00 C ATOM 0 H THR A 24 1.309 9.785 -4.426 1.00 0.00 H new ATOM 0 HA THR A 24 3.699 10.162 -2.782 1.00 0.00 H new ATOM 0 HB THR A 24 1.976 12.303 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.246 12.067 -5.927 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.127 13.459 -4.332 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.881 13.032 -2.622 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.982 12.064 -3.631 1.00 0.00 H new ATOM 104 N LEU A 25 2.415 10.474 -0.665 1.00 0.00 N ATOM 105 CA LEU A 25 1.796 10.817 0.609 1.00 0.00 C ATOM 106 C LEU A 25 2.696 11.747 1.416 1.00 0.00 C ATOM 107 O LEU A 25 3.906 11.537 1.500 1.00 0.00 O ATOM 108 CB LEU A 25 1.496 9.551 1.414 1.00 0.00 C ATOM 109 CG LEU A 25 0.914 8.390 0.607 1.00 0.00 C ATOM 110 CD1 LEU A 25 1.423 7.059 1.139 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.607 8.432 0.636 1.00 0.00 C ATOM 0 H LEU A 25 3.195 9.820 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 25 0.860 11.335 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.417 9.216 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.798 9.804 2.212 1.00 0.00 H new ATOM 0 HG LEU A 25 1.242 8.492 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.997 6.246 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.510 7.030 1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.127 6.947 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.005 7.599 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.953 8.356 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.953 9.371 0.205 1.00 0.00 H new ATOM 123 N GLN A 26 2.097 12.772 2.012 1.00 0.00 N ATOM 124 CA GLN A 26 2.844 13.733 2.814 1.00 0.00 C ATOM 125 C GLN A 26 3.065 13.206 4.227 1.00 0.00 C ATOM 126 O GLN A 26 2.462 12.211 4.631 1.00 0.00 O ATOM 127 CB GLN A 26 2.105 15.071 2.867 1.00 0.00 C ATOM 128 CG GLN A 26 2.333 15.942 1.642 1.00 0.00 C ATOM 129 CD GLN A 26 1.308 15.696 0.552 1.00 0.00 C ATOM 130 OE1 GLN A 26 0.271 16.356 0.499 1.00 0.00 O ATOM 131 NE2 GLN A 26 1.597 14.743 -0.326 1.00 0.00 N ATOM 0 H GLN A 26 1.096 12.959 1.955 1.00 0.00 H new ATOM 0 HA GLN A 26 3.816 13.882 2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.037 14.882 2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.423 15.617 3.755 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.301 16.991 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.331 15.752 1.247 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.469 14.221 -0.243 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.947 14.533 -1.083 1.00 0.00 H new ATOM 140 N LYS A 27 3.934 13.877 4.977 1.00 0.00 N ATOM 141 CA LYS A 27 4.234 13.476 6.346 1.00 0.00 C ATOM 142 C LYS A 27 3.322 14.190 7.336 1.00 0.00 C ATOM 143 O LYS A 27 3.028 15.375 7.182 1.00 0.00 O ATOM 144 CB LYS A 27 5.698 13.770 6.676 1.00 0.00 C ATOM 145 CG LYS A 27 6.682 12.951 5.857 1.00 0.00 C ATOM 146 CD LYS A 27 7.789 12.374 6.725 1.00 0.00 C ATOM 147 CE LYS A 27 8.177 10.975 6.272 1.00 0.00 C ATOM 148 NZ LYS A 27 7.083 9.992 6.504 1.00 0.00 N ATOM 0 H LYS A 27 4.443 14.702 4.659 1.00 0.00 H new ATOM 0 HA LYS A 27 4.059 12.404 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.894 14.829 6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.869 13.576 7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.153 12.141 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.118 13.577 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.662 13.026 6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.460 12.344 7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.429 10.994 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.071 10.655 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.396 9.281 7.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.245 10.486 6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.843 9.522 5.608 1.00 0.00 H new ATOM 162 N ASP A 28 2.877 13.461 8.355 1.00 0.00 N ATOM 163 CA ASP A 28 1.997 14.024 9.372 1.00 0.00 C ATOM 164 C ASP A 28 2.709 15.117 10.161 1.00 0.00 C ATOM 165 O ASP A 28 3.826 15.513 9.827 1.00 0.00 O ATOM 166 CB ASP A 28 1.514 12.926 10.321 1.00 0.00 C ATOM 167 CG ASP A 28 0.069 13.119 10.741 1.00 0.00 C ATOM 168 OD1 ASP A 28 -0.695 13.735 9.969 1.00 0.00 O ATOM 169 OD2 ASP A 28 -0.297 12.651 11.840 1.00 0.00 O ATOM 0 H ASP A 28 3.112 12.479 8.498 1.00 0.00 H new ATOM 0 HA ASP A 28 1.136 14.465 8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.622 11.956 9.835 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.148 12.911 11.207 1.00 0.00 H new ATOM 174 N ALA A 29 2.054 15.603 11.210 1.00 0.00 N ATOM 175 CA ALA A 29 2.621 16.652 12.048 1.00 0.00 C ATOM 176 C ALA A 29 3.880 16.170 12.761 1.00 0.00 C ATOM 177 O ALA A 29 4.767 16.962 13.076 1.00 0.00 O ATOM 178 CB ALA A 29 1.592 17.134 13.058 1.00 0.00 C ATOM 0 H ALA A 29 1.129 15.286 11.500 1.00 0.00 H new ATOM 0 HA ALA A 29 2.900 17.485 11.403 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.029 17.917 13.677 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.723 17.530 12.532 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.285 16.301 13.690 1.00 0.00 H new ATOM 184 N GLN A 30 3.950 14.867 13.016 1.00 0.00 N ATOM 185 CA GLN A 30 5.102 14.284 13.695 1.00 0.00 C ATOM 186 C GLN A 30 6.094 13.699 12.693 1.00 0.00 C ATOM 187 O GLN A 30 6.867 12.800 13.023 1.00 0.00 O ATOM 188 CB GLN A 30 4.646 13.196 14.670 1.00 0.00 C ATOM 189 CG GLN A 30 3.960 12.021 13.994 1.00 0.00 C ATOM 190 CD GLN A 30 2.831 11.448 14.825 1.00 0.00 C ATOM 191 OE1 GLN A 30 2.852 10.276 15.200 1.00 0.00 O ATOM 192 NE2 GLN A 30 1.833 12.275 15.120 1.00 0.00 N ATOM 0 H GLN A 30 3.224 14.196 12.763 1.00 0.00 H new ATOM 0 HA GLN A 30 5.603 15.078 14.249 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.511 12.831 15.224 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.963 13.635 15.397 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.569 12.340 13.028 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.695 11.240 13.798 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.855 13.240 14.789 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.045 11.945 15.677 1.00 0.00 H new ATOM 201 N ASN A 31 6.070 14.216 11.466 1.00 0.00 N ATOM 202 CA ASN A 31 6.971 13.745 10.420 1.00 0.00 C ATOM 203 C ASN A 31 6.856 12.235 10.233 1.00 0.00 C ATOM 204 O ASN A 31 7.848 11.556 9.965 1.00 0.00 O ATOM 205 CB ASN A 31 8.415 14.122 10.753 1.00 0.00 C ATOM 206 CG ASN A 31 9.279 14.254 9.514 1.00 0.00 C ATOM 207 OD1 ASN A 31 9.044 15.118 8.670 1.00 0.00 O ATOM 208 ND2 ASN A 31 10.285 13.395 9.400 1.00 0.00 N ATOM 0 H ASN A 31 5.437 14.960 11.174 1.00 0.00 H new ATOM 0 HA ASN A 31 6.682 14.228 9.486 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.424 15.064 11.301 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.842 13.366 11.412 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.900 13.435 8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.442 12.695 10.125 1.00 0.00 H new ATOM 215 N LEU A 32 5.643 11.714 10.378 1.00 0.00 N ATOM 216 CA LEU A 32 5.403 10.284 10.227 1.00 0.00 C ATOM 217 C LEU A 32 4.099 10.027 9.477 1.00 0.00 C ATOM 218 O LEU A 32 3.011 10.236 10.014 1.00 0.00 O ATOM 219 CB LEU A 32 5.359 9.604 11.597 1.00 0.00 C ATOM 220 CG LEU A 32 6.677 9.626 12.373 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.460 9.164 13.805 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.715 8.757 11.682 1.00 0.00 C ATOM 0 H LEU A 32 4.811 12.260 10.600 1.00 0.00 H new ATOM 0 HA LEU A 32 6.224 9.863 9.647 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.591 10.087 12.201 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.052 8.567 11.461 1.00 0.00 H new ATOM 0 HG LEU A 32 7.047 10.651 12.396 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.408 9.186 14.342 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.749 9.827 14.297 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.067 8.147 13.804 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.647 8.784 12.247 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.353 7.730 11.628 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.891 9.133 10.674 1.00 0.00 H new ATOM 234 N ILE A 33 4.217 9.572 8.234 1.00 0.00 N ATOM 235 CA ILE A 33 3.049 9.284 7.408 1.00 0.00 C ATOM 236 C ILE A 33 2.096 8.322 8.115 1.00 0.00 C ATOM 237 O ILE A 33 0.891 8.332 7.865 1.00 0.00 O ATOM 238 CB ILE A 33 3.449 8.684 6.046 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.478 7.566 6.233 1.00 0.00 C ATOM 240 CG2 ILE A 33 3.998 9.767 5.130 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.791 6.814 4.959 1.00 0.00 C ATOM 0 H ILE A 33 5.111 9.394 7.776 1.00 0.00 H new ATOM 0 HA ILE A 33 2.544 10.235 7.240 1.00 0.00 H new ATOM 0 HB ILE A 33 2.560 8.257 5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.399 7.994 6.629 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.107 6.863 6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.276 9.327 4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.236 10.530 4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.876 10.221 5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.527 6.037 5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.880 6.357 4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.192 7.505 4.218 1.00 0.00 H new ATOM 253 N GLY A 34 2.645 7.495 8.998 1.00 0.00 N ATOM 254 CA GLY A 34 1.830 6.541 9.727 1.00 0.00 C ATOM 255 C GLY A 34 1.590 5.263 8.948 1.00 0.00 C ATOM 256 O GLY A 34 0.536 5.092 8.336 1.00 0.00 O ATOM 0 H GLY A 34 3.640 7.468 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.317 6.300 10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.871 6.999 9.970 1.00 0.00 H new ATOM 260 N ILE A 35 2.566 4.364 8.976 1.00 0.00 N ATOM 261 CA ILE A 35 2.458 3.092 8.270 1.00 0.00 C ATOM 262 C ILE A 35 3.505 2.101 8.765 1.00 0.00 C ATOM 263 O ILE A 35 4.707 2.336 8.633 1.00 0.00 O ATOM 264 CB ILE A 35 2.617 3.265 6.746 1.00 0.00 C ATOM 265 CG1 ILE A 35 3.746 4.249 6.432 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.310 3.735 6.125 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.614 3.818 5.269 1.00 0.00 C ATOM 0 H ILE A 35 3.443 4.492 9.481 1.00 0.00 H new ATOM 0 HA ILE A 35 1.460 2.706 8.477 1.00 0.00 H new ATOM 0 HB ILE A 35 2.875 2.298 6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.316 5.226 6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.371 4.368 7.317 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.440 3.852 5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.530 2.999 6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.023 4.691 6.562 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.394 4.561 5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.073 2.855 5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.001 3.727 4.372 1.00 0.00 H new ATOM 279 N SER A 36 3.043 0.993 9.334 1.00 0.00 N ATOM 280 CA SER A 36 3.942 -0.034 9.848 1.00 0.00 C ATOM 281 C SER A 36 4.384 -0.974 8.731 1.00 0.00 C ATOM 282 O SER A 36 3.590 -1.341 7.865 1.00 0.00 O ATOM 283 CB SER A 36 3.257 -0.830 10.961 1.00 0.00 C ATOM 284 OG SER A 36 4.081 -1.890 11.413 1.00 0.00 O ATOM 0 H SER A 36 2.052 0.783 9.451 1.00 0.00 H new ATOM 0 HA SER A 36 4.825 0.459 10.255 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.022 -0.168 11.794 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.311 -1.231 10.596 1.00 0.00 H new ATOM 0 HG SER A 36 3.524 -2.588 11.816 1.00 0.00 H new ATOM 290 N ILE A 37 5.656 -1.358 8.755 1.00 0.00 N ATOM 291 CA ILE A 37 6.202 -2.255 7.742 1.00 0.00 C ATOM 292 C ILE A 37 7.070 -3.337 8.372 1.00 0.00 C ATOM 293 O ILE A 37 7.340 -3.313 9.573 1.00 0.00 O ATOM 294 CB ILE A 37 7.037 -1.484 6.703 1.00 0.00 C ATOM 295 CG1 ILE A 37 8.006 -0.527 7.401 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.128 -0.725 5.747 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.181 -1.224 8.049 1.00 0.00 C ATOM 0 H ILE A 37 6.328 -1.063 9.464 1.00 0.00 H new ATOM 0 HA ILE A 37 5.352 -2.722 7.243 1.00 0.00 H new ATOM 0 HB ILE A 37 7.620 -2.201 6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.378 0.195 6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.464 0.036 8.161 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.734 -0.186 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.478 -1.429 5.227 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.520 -0.016 6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.826 -0.485 8.524 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.819 -1.926 8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.747 -1.765 7.290 1.00 0.00 H new ATOM 309 N GLY A 38 7.509 -4.285 7.550 1.00 0.00 N ATOM 310 CA GLY A 38 8.346 -5.366 8.039 1.00 0.00 C ATOM 311 C GLY A 38 9.245 -5.933 6.959 1.00 0.00 C ATOM 312 O GLY A 38 8.788 -6.228 5.855 1.00 0.00 O ATOM 0 H GLY A 38 7.300 -4.324 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.958 -5.003 8.864 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.714 -6.160 8.436 1.00 0.00 H new ATOM 316 N GLY A 39 10.526 -6.084 7.277 1.00 0.00 N ATOM 317 CA GLY A 39 11.470 -6.619 6.313 1.00 0.00 C ATOM 318 C GLY A 39 12.556 -7.453 6.963 1.00 0.00 C ATOM 319 O GLY A 39 12.685 -7.472 8.187 1.00 0.00 O ATOM 0 H GLY A 39 10.927 -5.846 8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.935 -7.229 5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.928 -5.797 5.764 1.00 0.00 H new ATOM 414 N LEU A 47 9.894 -6.516 1.635 1.00 0.00 N ATOM 415 CA LEU A 47 9.196 -5.893 2.754 1.00 0.00 C ATOM 416 C LEU A 47 7.686 -5.954 2.548 1.00 0.00 C ATOM 417 O LEU A 47 7.212 -6.309 1.469 1.00 0.00 O ATOM 418 CB LEU A 47 9.649 -4.440 2.920 1.00 0.00 C ATOM 419 CG LEU A 47 10.539 -4.175 4.137 1.00 0.00 C ATOM 420 CD1 LEU A 47 12.007 -4.303 3.759 1.00 0.00 C ATOM 421 CD2 LEU A 47 10.254 -2.797 4.715 1.00 0.00 C ATOM 0 HA LEU A 47 9.443 -6.444 3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.188 -4.138 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.766 -3.805 2.990 1.00 0.00 H new ATOM 0 HG LEU A 47 10.313 -4.920 4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.626 -4.112 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.201 -5.310 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.247 -3.579 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.895 -2.625 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 47 10.453 -2.037 3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.209 -2.740 5.021 1.00 0.00 H new ATOM 433 N TYR A 48 6.934 -5.607 3.588 1.00 0.00 N ATOM 434 CA TYR A 48 5.479 -5.624 3.513 1.00 0.00 C ATOM 435 C TYR A 48 4.861 -4.768 4.615 1.00 0.00 C ATOM 436 O TYR A 48 5.374 -4.713 5.732 1.00 0.00 O ATOM 437 CB TYR A 48 4.962 -7.060 3.618 1.00 0.00 C ATOM 438 CG TYR A 48 3.490 -7.202 3.301 1.00 0.00 C ATOM 439 CD1 TYR A 48 3.014 -6.985 2.013 1.00 0.00 C ATOM 440 CD2 TYR A 48 2.578 -7.553 4.288 1.00 0.00 C ATOM 441 CE1 TYR A 48 1.669 -7.115 1.719 1.00 0.00 C ATOM 442 CE2 TYR A 48 1.232 -7.685 4.001 1.00 0.00 C ATOM 443 CZ TYR A 48 0.783 -7.464 2.715 1.00 0.00 C ATOM 444 OH TYR A 48 -0.556 -7.594 2.427 1.00 0.00 O ATOM 0 H TYR A 48 7.308 -5.312 4.490 1.00 0.00 H new ATOM 0 HA TYR A 48 5.187 -5.205 2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.533 -7.693 2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.144 -7.429 4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.705 -6.711 1.230 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.926 -7.726 5.296 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.315 -6.944 0.713 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.535 -7.960 4.779 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.709 -7.389 1.481 1.00 0.00 H new ATOM 454 N ILE A 49 3.754 -4.107 4.291 1.00 0.00 N ATOM 455 CA ILE A 49 3.063 -3.256 5.252 1.00 0.00 C ATOM 456 C ILE A 49 2.328 -4.100 6.291 1.00 0.00 C ATOM 457 O ILE A 49 2.072 -5.284 6.071 1.00 0.00 O ATOM 458 CB ILE A 49 2.057 -2.322 4.553 1.00 0.00 C ATOM 459 CG1 ILE A 49 2.719 -1.630 3.359 1.00 0.00 C ATOM 460 CG2 ILE A 49 1.515 -1.295 5.534 1.00 0.00 C ATOM 461 CD1 ILE A 49 1.806 -0.665 2.633 1.00 0.00 C ATOM 0 H ILE A 49 3.317 -4.145 3.370 1.00 0.00 H new ATOM 0 HA ILE A 49 3.820 -2.648 5.748 1.00 0.00 H new ATOM 0 HB ILE A 49 1.222 -2.919 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.601 -1.091 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.064 -2.388 2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.806 -0.643 5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.012 -1.806 6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.338 -0.698 5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.343 -0.213 1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.936 -1.202 2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.481 0.115 3.321 1.00 0.00 H new ATOM 473 N VAL A 50 2.003 -3.490 7.427 1.00 0.00 N ATOM 474 CA VAL A 50 1.311 -4.198 8.497 1.00 0.00 C ATOM 475 C VAL A 50 -0.064 -3.597 8.773 1.00 0.00 C ATOM 476 O VAL A 50 -1.088 -4.228 8.517 1.00 0.00 O ATOM 477 CB VAL A 50 2.133 -4.189 9.798 1.00 0.00 C ATOM 478 CG1 VAL A 50 1.496 -5.095 10.841 1.00 0.00 C ATOM 479 CG2 VAL A 50 3.567 -4.611 9.520 1.00 0.00 C ATOM 0 H VAL A 50 2.207 -2.511 7.629 1.00 0.00 H new ATOM 0 HA VAL A 50 1.186 -5.226 8.158 1.00 0.00 H new ATOM 0 HB VAL A 50 2.144 -3.173 10.194 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.092 -5.075 11.753 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.487 -4.745 11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.452 -6.115 10.459 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.136 -4.600 10.449 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.575 -5.617 9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.019 -3.919 8.810 1.00 0.00 H new ATOM 489 N GLN A 51 -0.082 -2.379 9.305 1.00 0.00 N ATOM 490 CA GLN A 51 -1.338 -1.705 9.620 1.00 0.00 C ATOM 491 C GLN A 51 -1.138 -0.201 9.765 1.00 0.00 C ATOM 492 O GLN A 51 -0.083 0.257 10.206 1.00 0.00 O ATOM 493 CB GLN A 51 -1.932 -2.282 10.909 1.00 0.00 C ATOM 494 CG GLN A 51 -3.236 -1.622 11.329 1.00 0.00 C ATOM 495 CD GLN A 51 -4.310 -2.630 11.694 1.00 0.00 C ATOM 496 OE1 GLN A 51 -5.015 -3.145 10.826 1.00 0.00 O ATOM 497 NE2 GLN A 51 -4.437 -2.919 12.984 1.00 0.00 N ATOM 0 H GLN A 51 0.755 -1.840 9.527 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.030 -1.875 8.795 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.102 -3.350 10.774 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.205 -2.175 11.714 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.050 -0.970 12.182 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.597 -0.990 10.517 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.831 -2.468 13.670 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.140 -3.592 13.289 1.00 0.00 H new ATOM 506 N VAL A 52 -2.161 0.563 9.394 1.00 0.00 N ATOM 507 CA VAL A 52 -2.108 2.018 9.484 1.00 0.00 C ATOM 508 C VAL A 52 -2.805 2.510 10.747 1.00 0.00 C ATOM 509 O VAL A 52 -3.626 1.802 11.330 1.00 0.00 O ATOM 510 CB VAL A 52 -2.764 2.692 8.259 1.00 0.00 C ATOM 511 CG1 VAL A 52 -2.161 4.068 8.012 1.00 0.00 C ATOM 512 CG2 VAL A 52 -2.631 1.816 7.020 1.00 0.00 C ATOM 0 H VAL A 52 -3.039 0.197 9.027 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.053 2.292 9.514 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.825 2.818 8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.638 4.524 7.145 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.321 4.698 8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.091 3.969 7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.101 2.313 6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.576 1.649 6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.121 0.859 7.197 1.00 0.00 H new ATOM 522 N PHE A 53 -2.477 3.729 11.165 1.00 0.00 N ATOM 523 CA PHE A 53 -3.077 4.314 12.356 1.00 0.00 C ATOM 524 C PHE A 53 -4.031 5.442 11.980 1.00 0.00 C ATOM 525 O PHE A 53 -3.789 6.181 11.027 1.00 0.00 O ATOM 526 CB PHE A 53 -1.991 4.834 13.299 1.00 0.00 C ATOM 527 CG PHE A 53 -1.230 3.739 13.992 1.00 0.00 C ATOM 528 CD1 PHE A 53 -0.392 2.900 13.276 1.00 0.00 C ATOM 529 CD2 PHE A 53 -1.357 3.548 15.359 1.00 0.00 C ATOM 530 CE1 PHE A 53 0.307 1.892 13.911 1.00 0.00 C ATOM 531 CE2 PHE A 53 -0.661 2.540 15.999 1.00 0.00 C ATOM 532 CZ PHE A 53 0.172 1.710 15.273 1.00 0.00 C ATOM 0 H PHE A 53 -1.799 4.329 10.696 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.645 3.538 12.869 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.292 5.450 12.733 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.449 5.479 14.049 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.284 3.035 12.210 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.007 4.194 15.930 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.959 1.246 13.342 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.768 2.401 17.065 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.716 0.921 15.770 1.00 0.00 H new ATOM 542 N ASP A 54 -5.117 5.567 12.733 1.00 0.00 N ATOM 543 CA ASP A 54 -6.112 6.603 12.475 1.00 0.00 C ATOM 544 C ASP A 54 -5.509 7.995 12.625 1.00 0.00 C ATOM 545 O ASP A 54 -4.538 8.189 13.356 1.00 0.00 O ATOM 546 CB ASP A 54 -7.300 6.444 13.424 1.00 0.00 C ATOM 547 CG ASP A 54 -8.378 5.544 12.856 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.092 4.351 12.618 1.00 0.00 O ATOM 549 OD2 ASP A 54 -9.509 6.032 12.645 1.00 0.00 O ATOM 0 H ASP A 54 -5.332 4.964 13.527 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.456 6.489 11.447 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.952 6.035 14.372 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.725 7.425 13.637 1.00 0.00 H new ATOM 554 N ASN A 55 -6.099 8.964 11.929 1.00 0.00 N ATOM 555 CA ASN A 55 -5.635 10.348 11.979 1.00 0.00 C ATOM 556 C ASN A 55 -4.297 10.520 11.265 1.00 0.00 C ATOM 557 O ASN A 55 -3.608 11.522 11.460 1.00 0.00 O ATOM 558 CB ASN A 55 -5.514 10.820 13.430 1.00 0.00 C ATOM 559 CG ASN A 55 -6.729 10.460 14.261 1.00 0.00 C ATOM 560 OD1 ASN A 55 -6.607 9.898 15.350 1.00 0.00 O ATOM 561 ND2 ASN A 55 -7.912 10.784 13.752 1.00 0.00 N ATOM 0 H ASN A 55 -6.904 8.815 11.321 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.375 10.959 11.462 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.626 10.376 13.880 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.374 11.901 13.447 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.765 10.568 14.267 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.967 11.249 12.846 1.00 0.00 H new ATOM 568 N THR A 56 -3.931 9.548 10.434 1.00 0.00 N ATOM 569 CA THR A 56 -2.676 9.615 9.693 1.00 0.00 C ATOM 570 C THR A 56 -2.939 9.880 8.213 1.00 0.00 C ATOM 571 O THR A 56 -3.978 9.493 7.683 1.00 0.00 O ATOM 572 CB THR A 56 -1.883 8.318 9.857 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.530 7.247 9.194 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.686 7.914 11.302 1.00 0.00 C ATOM 0 H THR A 56 -4.483 8.709 10.258 1.00 0.00 H new ATOM 0 HA THR A 56 -2.088 10.439 10.098 1.00 0.00 H new ATOM 0 HB THR A 56 -0.906 8.520 9.418 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.264 6.913 9.751 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.116 6.986 11.346 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.143 8.699 11.828 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.657 7.766 11.774 1.00 0.00 H new ATOM 582 N PRO A 57 -1.995 10.543 7.525 1.00 0.00 N ATOM 583 CA PRO A 57 -2.134 10.854 6.100 1.00 0.00 C ATOM 584 C PRO A 57 -2.331 9.600 5.254 1.00 0.00 C ATOM 585 O PRO A 57 -2.981 9.638 4.209 1.00 0.00 O ATOM 586 CB PRO A 57 -0.810 11.542 5.739 1.00 0.00 C ATOM 587 CG PRO A 57 0.127 11.201 6.849 1.00 0.00 C ATOM 588 CD PRO A 57 -0.725 11.038 8.074 1.00 0.00 C ATOM 0 HA PRO A 57 -3.010 11.474 5.907 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.431 11.187 4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.939 12.621 5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.675 10.284 6.630 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.867 11.988 6.991 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.287 10.332 8.780 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.854 11.981 8.605 1.00 0.00 H new ATOM 596 N ALA A 58 -1.768 8.488 5.716 1.00 0.00 N ATOM 597 CA ALA A 58 -1.882 7.221 5.005 1.00 0.00 C ATOM 598 C ALA A 58 -3.261 6.599 5.206 1.00 0.00 C ATOM 599 O ALA A 58 -3.800 5.958 4.304 1.00 0.00 O ATOM 600 CB ALA A 58 -0.797 6.260 5.468 1.00 0.00 C ATOM 0 H ALA A 58 -1.228 8.439 6.580 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.753 7.417 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.892 5.317 4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.183 6.694 5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.903 6.080 6.538 1.00 0.00 H new ATOM 606 N ALA A 59 -3.827 6.795 6.391 1.00 0.00 N ATOM 607 CA ALA A 59 -5.142 6.254 6.710 1.00 0.00 C ATOM 608 C ALA A 59 -6.254 7.205 6.273 1.00 0.00 C ATOM 609 O ALA A 59 -7.376 6.779 6.003 1.00 0.00 O ATOM 610 CB ALA A 59 -5.248 5.968 8.201 1.00 0.00 C ATOM 0 H ALA A 59 -3.395 7.325 7.148 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.263 5.321 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.235 5.564 8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.486 5.243 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.098 6.892 8.760 1.00 0.00 H new ATOM 616 N LEU A 60 -5.934 8.493 6.207 1.00 0.00 N ATOM 617 CA LEU A 60 -6.907 9.502 5.805 1.00 0.00 C ATOM 618 C LEU A 60 -7.109 9.488 4.293 1.00 0.00 C ATOM 619 O LEU A 60 -8.233 9.606 3.805 1.00 0.00 O ATOM 620 CB LEU A 60 -6.451 10.891 6.257 1.00 0.00 C ATOM 621 CG LEU A 60 -6.399 11.097 7.772 1.00 0.00 C ATOM 622 CD1 LEU A 60 -5.466 12.245 8.122 1.00 0.00 C ATOM 623 CD2 LEU A 60 -7.794 11.355 8.325 1.00 0.00 C ATOM 0 H LEU A 60 -5.009 8.863 6.427 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.857 9.266 6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.460 11.082 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.123 11.634 5.828 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.011 10.187 8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.441 12.377 9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.462 12.021 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.824 13.161 7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.737 11.499 9.404 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.210 12.249 7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.436 10.501 8.106 1.00 0.00 H new ATOM 635 N ASP A 61 -6.012 9.343 3.554 1.00 0.00 N ATOM 636 CA ASP A 61 -6.071 9.314 2.097 1.00 0.00 C ATOM 637 C ASP A 61 -6.672 8.003 1.602 1.00 0.00 C ATOM 638 O ASP A 61 -7.591 8.000 0.782 1.00 0.00 O ATOM 639 CB ASP A 61 -4.672 9.505 1.507 1.00 0.00 C ATOM 640 CG ASP A 61 -4.392 10.949 1.138 1.00 0.00 C ATOM 641 OD1 ASP A 61 -4.720 11.843 1.946 1.00 0.00 O ATOM 642 OD2 ASP A 61 -3.843 11.185 0.042 1.00 0.00 O ATOM 0 H ASP A 61 -5.073 9.244 3.940 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.712 10.132 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.928 9.166 2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.566 8.879 0.621 1.00 0.00 H new ATOM 647 N GLY A 62 -6.149 6.890 2.106 1.00 0.00 N ATOM 648 CA GLY A 62 -6.647 5.588 1.702 1.00 0.00 C ATOM 649 C GLY A 62 -5.883 5.013 0.526 1.00 0.00 C ATOM 650 O GLY A 62 -6.426 4.877 -0.569 1.00 0.00 O ATOM 0 H GLY A 62 -5.390 6.866 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.581 4.900 2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.702 5.671 1.440 1.00 0.00 H new ATOM 654 N THR A 63 -4.618 4.673 0.754 1.00 0.00 N ATOM 655 CA THR A 63 -3.778 4.109 -0.296 1.00 0.00 C ATOM 656 C THR A 63 -2.970 2.927 0.229 1.00 0.00 C ATOM 657 O THR A 63 -3.195 1.783 -0.165 1.00 0.00 O ATOM 658 CB THR A 63 -2.837 5.176 -0.855 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.345 6.475 -0.604 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.610 5.052 -2.346 1.00 0.00 C ATOM 0 H THR A 63 -4.153 4.778 1.656 1.00 0.00 H new ATOM 0 HA THR A 63 -4.429 3.755 -1.095 1.00 0.00 H new ATOM 0 HB THR A 63 -1.887 5.018 -0.345 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.486 6.941 -1.454 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.933 5.839 -2.678 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.171 4.079 -2.568 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.562 5.148 -2.868 1.00 0.00 H new ATOM 668 N VAL A 64 -2.028 3.211 1.123 1.00 0.00 N ATOM 669 CA VAL A 64 -1.185 2.171 1.703 1.00 0.00 C ATOM 670 C VAL A 64 -1.728 1.716 3.053 1.00 0.00 C ATOM 671 O VAL A 64 -2.105 2.536 3.889 1.00 0.00 O ATOM 672 CB VAL A 64 0.265 2.658 1.882 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.924 2.881 0.529 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.301 3.929 2.717 1.00 0.00 C ATOM 0 H VAL A 64 -1.829 4.152 1.462 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.194 1.331 1.008 1.00 0.00 H new ATOM 0 HB VAL A 64 0.826 1.887 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.948 3.225 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.932 1.946 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.365 3.633 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.333 4.259 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.275 4.708 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.130 3.732 3.699 1.00 0.00 H new ATOM 684 N ALA A 65 -1.762 0.404 3.261 1.00 0.00 N ATOM 685 CA ALA A 65 -2.258 -0.159 4.511 1.00 0.00 C ATOM 686 C ALA A 65 -2.091 -1.675 4.536 1.00 0.00 C ATOM 687 O ALA A 65 -1.487 -2.259 3.636 1.00 0.00 O ATOM 688 CB ALA A 65 -3.719 0.217 4.713 1.00 0.00 C ATOM 0 H ALA A 65 -1.452 -0.289 2.580 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.669 0.257 5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.078 -0.209 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.814 1.302 4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.313 -0.173 3.886 1.00 0.00 H new ATOM 694 N ALA A 66 -2.633 -2.308 5.574 1.00 0.00 N ATOM 695 CA ALA A 66 -2.545 -3.758 5.721 1.00 0.00 C ATOM 696 C ALA A 66 -3.075 -4.469 4.479 1.00 0.00 C ATOM 697 O ALA A 66 -4.281 -4.677 4.338 1.00 0.00 O ATOM 698 CB ALA A 66 -3.315 -4.208 6.954 1.00 0.00 C ATOM 0 H ALA A 66 -3.138 -1.839 6.326 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.495 -4.024 5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.242 -5.291 7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.893 -3.733 7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.362 -3.922 6.853 1.00 0.00 H new ATOM 704 N GLY A 67 -2.167 -4.838 3.583 1.00 0.00 N ATOM 705 CA GLY A 67 -2.564 -5.523 2.365 1.00 0.00 C ATOM 706 C GLY A 67 -1.649 -5.203 1.199 1.00 0.00 C ATOM 707 O GLY A 67 -1.420 -6.048 0.333 1.00 0.00 O ATOM 0 H GLY A 67 -1.164 -4.676 3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.563 -6.599 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.586 -5.242 2.110 1.00 0.00 H new ATOM 711 N ASP A 68 -1.124 -3.983 1.179 1.00 0.00 N ATOM 712 CA ASP A 68 -0.228 -3.554 0.112 1.00 0.00 C ATOM 713 C ASP A 68 1.210 -3.964 0.413 1.00 0.00 C ATOM 714 O ASP A 68 1.599 -4.093 1.574 1.00 0.00 O ATOM 715 CB ASP A 68 -0.313 -2.037 -0.074 1.00 0.00 C ATOM 716 CG ASP A 68 -1.144 -1.649 -1.280 1.00 0.00 C ATOM 717 OD1 ASP A 68 -1.214 -2.448 -2.237 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.729 -0.544 -1.266 1.00 0.00 O ATOM 0 H ASP A 68 -1.304 -3.274 1.890 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.540 -4.043 -0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.744 -1.588 0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.692 -1.630 -0.183 1.00 0.00 H new ATOM 723 N GLU A 69 1.996 -4.168 -0.640 1.00 0.00 N ATOM 724 CA GLU A 69 3.391 -4.564 -0.487 1.00 0.00 C ATOM 725 C GLU A 69 4.327 -3.427 -0.882 1.00 0.00 C ATOM 726 O GLU A 69 4.445 -3.089 -2.060 1.00 0.00 O ATOM 727 CB GLU A 69 3.686 -5.803 -1.336 1.00 0.00 C ATOM 728 CG GLU A 69 5.104 -6.329 -1.175 1.00 0.00 C ATOM 729 CD GLU A 69 5.459 -7.372 -2.215 1.00 0.00 C ATOM 730 OE1 GLU A 69 5.768 -6.987 -3.362 1.00 0.00 O ATOM 731 OE2 GLU A 69 5.429 -8.575 -1.884 1.00 0.00 O ATOM 0 H GLU A 69 1.690 -4.066 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 69 3.563 -4.802 0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.983 -6.592 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.513 -5.564 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.806 -5.498 -1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.217 -6.760 -0.180 1.00 0.00 H new ATOM 738 N ILE A 70 4.991 -2.841 0.108 1.00 0.00 N ATOM 739 CA ILE A 70 5.915 -1.741 -0.137 1.00 0.00 C ATOM 740 C ILE A 70 7.166 -2.231 -0.860 1.00 0.00 C ATOM 741 O ILE A 70 7.849 -3.142 -0.392 1.00 0.00 O ATOM 742 CB ILE A 70 6.326 -1.049 1.179 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.230 0.151 0.894 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.021 -2.037 2.105 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.431 1.055 2.092 1.00 0.00 C ATOM 0 H ILE A 70 4.906 -3.110 1.088 1.00 0.00 H new ATOM 0 HA ILE A 70 5.395 -1.019 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 70 5.425 -0.688 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.201 -0.209 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.801 0.733 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.304 -1.532 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.343 -2.860 2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.914 -2.428 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.082 1.884 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.467 1.444 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.888 0.488 2.903 1.00 0.00 H new ATOM 757 N THR A 71 7.461 -1.621 -2.004 1.00 0.00 N ATOM 758 CA THR A 71 8.630 -1.998 -2.791 1.00 0.00 C ATOM 759 C THR A 71 9.277 -0.773 -3.427 1.00 0.00 C ATOM 760 O THR A 71 9.817 -0.847 -4.532 1.00 0.00 O ATOM 761 CB THR A 71 8.235 -2.999 -3.878 1.00 0.00 C ATOM 762 OG1 THR A 71 9.370 -3.400 -4.624 1.00 0.00 O ATOM 763 CG2 THR A 71 7.212 -2.454 -4.852 1.00 0.00 C ATOM 0 H THR A 71 6.907 -0.865 -2.406 1.00 0.00 H new ATOM 0 HA THR A 71 9.353 -2.462 -2.121 1.00 0.00 H new ATOM 0 HB THR A 71 7.792 -3.842 -3.348 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.929 -2.618 -4.815 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.977 -3.215 -5.596 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.305 -2.181 -4.312 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.617 -1.573 -5.350 1.00 0.00 H new ATOM 771 N GLY A 72 9.223 0.355 -2.726 1.00 0.00 N ATOM 772 CA GLY A 72 9.810 1.578 -3.241 1.00 0.00 C ATOM 773 C GLY A 72 9.540 2.774 -2.349 1.00 0.00 C ATOM 774 O GLY A 72 8.732 2.698 -1.425 1.00 0.00 O ATOM 0 H GLY A 72 8.783 0.444 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.887 1.444 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.414 1.775 -4.237 1.00 0.00 H new ATOM 778 N VAL A 73 10.220 3.881 -2.629 1.00 0.00 N ATOM 779 CA VAL A 73 10.051 5.099 -1.845 1.00 0.00 C ATOM 780 C VAL A 73 10.686 6.297 -2.548 1.00 0.00 C ATOM 781 O VAL A 73 11.906 6.365 -2.702 1.00 0.00 O ATOM 782 CB VAL A 73 10.667 4.948 -0.439 1.00 0.00 C ATOM 783 CG1 VAL A 73 12.145 4.597 -0.535 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.459 6.213 0.381 1.00 0.00 C ATOM 0 H VAL A 73 10.892 3.960 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 73 8.979 5.270 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 73 10.158 4.130 0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 73 12.561 4.495 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.261 3.656 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.673 5.388 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.902 6.083 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.935 7.055 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.392 6.408 0.485 1.00 0.00 H new ATOM 794 N ASN A 74 9.851 7.238 -2.974 1.00 0.00 N ATOM 795 CA ASN A 74 10.329 8.434 -3.660 1.00 0.00 C ATOM 796 C ASN A 74 11.144 8.068 -4.898 1.00 0.00 C ATOM 797 O ASN A 74 12.011 8.829 -5.329 1.00 0.00 O ATOM 798 CB ASN A 74 11.177 9.286 -2.713 1.00 0.00 C ATOM 799 CG ASN A 74 10.349 10.307 -1.958 1.00 0.00 C ATOM 800 OD1 ASN A 74 9.403 9.957 -1.251 1.00 0.00 O ATOM 801 ND2 ASN A 74 10.704 11.578 -2.102 1.00 0.00 N ATOM 0 H ASN A 74 8.839 7.196 -2.857 1.00 0.00 H new ATOM 0 HA ASN A 74 9.459 9.009 -3.978 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.686 8.636 -2.001 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.950 9.800 -3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.186 12.310 -1.616 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.495 11.822 -2.698 1.00 0.00 H new ATOM 808 N GLY A 75 10.862 6.900 -5.465 1.00 0.00 N ATOM 809 CA GLY A 75 11.578 6.456 -6.646 1.00 0.00 C ATOM 810 C GLY A 75 12.631 5.412 -6.329 1.00 0.00 C ATOM 811 O GLY A 75 12.959 4.577 -7.172 1.00 0.00 O ATOM 0 H GLY A 75 10.150 6.253 -5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.868 6.045 -7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.053 7.313 -7.123 1.00 0.00 H new ATOM 815 N ARG A 76 13.158 5.458 -5.109 1.00 0.00 N ATOM 816 CA ARG A 76 14.179 4.509 -4.683 1.00 0.00 C ATOM 817 C ARG A 76 13.589 3.111 -4.521 1.00 0.00 C ATOM 818 O ARG A 76 12.397 2.958 -4.252 1.00 0.00 O ATOM 819 CB ARG A 76 14.811 4.968 -3.365 1.00 0.00 C ATOM 820 CG ARG A 76 16.288 5.305 -3.486 1.00 0.00 C ATOM 821 CD ARG A 76 17.163 4.136 -3.061 1.00 0.00 C ATOM 822 NE ARG A 76 18.586 4.455 -3.157 1.00 0.00 N ATOM 823 CZ ARG A 76 19.241 5.197 -2.267 1.00 0.00 C ATOM 824 NH1 ARG A 76 18.607 5.698 -1.215 1.00 0.00 N ATOM 825 NH2 ARG A 76 20.535 5.438 -2.430 1.00 0.00 N ATOM 0 H ARG A 76 12.895 6.142 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 76 14.949 4.470 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.275 5.844 -3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.685 4.184 -2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.517 5.577 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.516 6.174 -2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.922 3.857 -2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.942 3.271 -3.687 1.00 0.00 H new ATOM 0 HE ARG A 76 19.108 4.087 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.612 5.515 -1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 76 19.115 6.266 -0.536 1.00 0.00 H new ATOM 0 HH21 ARG A 76 21.027 5.055 -3.237 1.00 0.00 H new ATOM 0 HH22 ARG A 76 21.038 6.007 -1.748 1.00 0.00 H new ATOM 839 N SER A 77 14.430 2.096 -4.691 1.00 0.00 N ATOM 840 CA SER A 77 13.990 0.711 -4.562 1.00 0.00 C ATOM 841 C SER A 77 14.328 0.159 -3.181 1.00 0.00 C ATOM 842 O SER A 77 15.497 0.090 -2.799 1.00 0.00 O ATOM 843 CB SER A 77 14.640 -0.155 -5.644 1.00 0.00 C ATOM 844 OG SER A 77 13.824 -0.223 -6.800 1.00 0.00 O ATOM 0 H SER A 77 15.418 2.206 -4.918 1.00 0.00 H new ATOM 0 HA SER A 77 12.908 0.686 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.615 0.256 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.812 -1.159 -5.256 1.00 0.00 H new ATOM 0 HG SER A 77 14.262 -0.780 -7.477 1.00 0.00 H new ATOM 850 N ILE A 78 13.299 -0.232 -2.438 1.00 0.00 N ATOM 851 CA ILE A 78 13.489 -0.777 -1.098 1.00 0.00 C ATOM 852 C ILE A 78 13.607 -2.301 -1.125 1.00 0.00 C ATOM 853 O ILE A 78 13.522 -2.955 -0.086 1.00 0.00 O ATOM 854 CB ILE A 78 12.329 -0.380 -0.162 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.017 -1.007 -0.638 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.203 1.135 -0.092 1.00 0.00 C ATOM 857 CD1 ILE A 78 10.726 -2.350 -0.004 1.00 0.00 C ATOM 0 H ILE A 78 12.326 -0.182 -2.740 1.00 0.00 H new ATOM 0 HA ILE A 78 14.419 -0.354 -0.718 1.00 0.00 H new ATOM 0 HB ILE A 78 12.545 -0.757 0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.196 -0.324 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.052 -1.125 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.381 1.401 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.131 1.560 0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.007 1.530 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.781 -2.736 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.528 -3.048 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.659 -2.235 1.078 1.00 0.00 H new ATOM 869 N LYS A 79 13.801 -2.862 -2.316 1.00 0.00 N ATOM 870 CA LYS A 79 13.927 -4.306 -2.465 1.00 0.00 C ATOM 871 C LYS A 79 15.214 -4.813 -1.819 1.00 0.00 C ATOM 872 O LYS A 79 15.290 -5.962 -1.384 1.00 0.00 O ATOM 873 CB LYS A 79 13.902 -4.691 -3.946 1.00 0.00 C ATOM 874 CG LYS A 79 12.695 -4.146 -4.694 1.00 0.00 C ATOM 875 CD LYS A 79 12.094 -5.190 -5.622 1.00 0.00 C ATOM 876 CE LYS A 79 11.618 -4.569 -6.925 1.00 0.00 C ATOM 877 NZ LYS A 79 11.189 -5.601 -7.908 1.00 0.00 N ATOM 0 H LYS A 79 13.874 -2.339 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 79 13.081 -4.772 -1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.811 -4.325 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.912 -5.778 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.941 -3.817 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.990 -3.270 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.836 -5.960 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.258 -5.682 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.787 -3.893 -6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.420 -3.969 -7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.872 -5.137 -8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.988 -6.231 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.407 -6.157 -7.508 1.00 0.00 H new ATOM 891 N GLY A 80 16.222 -3.949 -1.760 1.00 0.00 N ATOM 892 CA GLY A 80 17.490 -4.329 -1.164 1.00 0.00 C ATOM 893 C GLY A 80 17.781 -3.573 0.116 1.00 0.00 C ATOM 894 O GLY A 80 18.865 -3.014 0.283 1.00 0.00 O ATOM 0 H GLY A 80 16.184 -2.993 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.484 -5.399 -0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.292 -4.148 -1.879 1.00 0.00 H new ATOM 898 N LYS A 81 16.810 -3.553 1.024 1.00 0.00 N ATOM 899 CA LYS A 81 16.968 -2.860 2.297 1.00 0.00 C ATOM 900 C LYS A 81 16.345 -3.662 3.435 1.00 0.00 C ATOM 901 O LYS A 81 15.530 -4.556 3.205 1.00 0.00 O ATOM 902 CB LYS A 81 16.330 -1.472 2.228 1.00 0.00 C ATOM 903 CG LYS A 81 16.884 -0.601 1.111 1.00 0.00 C ATOM 904 CD LYS A 81 17.419 0.719 1.643 1.00 0.00 C ATOM 905 CE LYS A 81 17.730 1.690 0.514 1.00 0.00 C ATOM 906 NZ LYS A 81 18.815 2.641 0.882 1.00 0.00 N ATOM 0 H LYS A 81 15.906 -4.009 0.901 1.00 0.00 H new ATOM 0 HA LYS A 81 18.035 -2.753 2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.254 -1.582 2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.480 -0.965 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.681 -1.135 0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.101 -0.408 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.687 1.165 2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 81 18.321 0.538 2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 81 18.023 1.131 -0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.830 2.248 0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.997 3.285 0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 18.526 3.193 1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.682 2.110 1.102 1.00 0.00 H new ATOM 920 N THR A 82 16.735 -3.337 4.664 1.00 0.00 N ATOM 921 CA THR A 82 16.214 -4.028 5.839 1.00 0.00 C ATOM 922 C THR A 82 15.106 -3.215 6.500 1.00 0.00 C ATOM 923 O THR A 82 14.799 -2.104 6.070 1.00 0.00 O ATOM 924 CB THR A 82 17.338 -4.293 6.841 1.00 0.00 C ATOM 925 OG1 THR A 82 18.602 -4.254 6.200 1.00 0.00 O ATOM 926 CG2 THR A 82 17.217 -5.632 7.535 1.00 0.00 C ATOM 0 H THR A 82 17.409 -2.600 4.872 1.00 0.00 H new ATOM 0 HA THR A 82 15.796 -4.981 5.515 1.00 0.00 H new ATOM 0 HB THR A 82 17.250 -3.505 7.589 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.308 -4.424 6.858 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.046 -5.757 8.232 1.00 0.00 H new ATOM 0 HG22 THR A 82 16.274 -5.675 8.080 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.244 -6.430 6.793 1.00 0.00 H new ATOM 934 N LYS A 83 14.511 -3.777 7.548 1.00 0.00 N ATOM 935 CA LYS A 83 13.437 -3.104 8.270 1.00 0.00 C ATOM 936 C LYS A 83 13.946 -1.836 8.948 1.00 0.00 C ATOM 937 O LYS A 83 13.225 -0.843 9.052 1.00 0.00 O ATOM 938 CB LYS A 83 12.828 -4.044 9.311 1.00 0.00 C ATOM 939 CG LYS A 83 11.486 -3.575 9.847 1.00 0.00 C ATOM 940 CD LYS A 83 10.923 -4.547 10.871 1.00 0.00 C ATOM 941 CE LYS A 83 11.826 -4.660 12.088 1.00 0.00 C ATOM 942 NZ LYS A 83 12.506 -5.984 12.155 1.00 0.00 N ATOM 0 H LYS A 83 14.755 -4.697 7.916 1.00 0.00 H new ATOM 0 HA LYS A 83 12.669 -2.824 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.707 -5.033 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.524 -4.151 10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.599 -2.591 10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.782 -3.466 9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.932 -4.216 11.182 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.802 -5.529 10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.575 -3.868 12.059 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.237 -4.508 12.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.112 -6.021 12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.792 -6.739 12.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.089 -6.118 11.304 1.00 0.00 H new ATOM 956 N VAL A 84 15.192 -1.873 9.405 1.00 0.00 N ATOM 957 CA VAL A 84 15.795 -0.726 10.071 1.00 0.00 C ATOM 958 C VAL A 84 16.149 0.363 9.063 1.00 0.00 C ATOM 959 O VAL A 84 15.884 1.544 9.288 1.00 0.00 O ATOM 960 CB VAL A 84 17.062 -1.128 10.851 1.00 0.00 C ATOM 961 CG1 VAL A 84 18.123 -1.681 9.910 1.00 0.00 C ATOM 962 CG2 VAL A 84 17.604 0.054 11.642 1.00 0.00 C ATOM 0 H VAL A 84 15.804 -2.685 9.326 1.00 0.00 H new ATOM 0 HA VAL A 84 15.058 -0.341 10.775 1.00 0.00 H new ATOM 0 HB VAL A 84 16.793 -1.914 11.556 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.008 -1.958 10.482 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.732 -2.560 9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.389 -0.921 9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.498 -0.251 12.185 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.854 0.865 10.958 1.00 0.00 H new ATOM 0 HG23 VAL A 84 16.848 0.395 12.350 1.00 0.00 H new ATOM 972 N GLU A 85 16.747 -0.045 7.947 1.00 0.00 N ATOM 973 CA GLU A 85 17.136 0.893 6.902 1.00 0.00 C ATOM 974 C GLU A 85 15.910 1.571 6.299 1.00 0.00 C ATOM 975 O GLU A 85 15.868 2.795 6.166 1.00 0.00 O ATOM 976 CB GLU A 85 17.924 0.173 5.806 1.00 0.00 C ATOM 977 CG GLU A 85 19.248 -0.400 6.285 1.00 0.00 C ATOM 978 CD GLU A 85 20.298 0.669 6.512 1.00 0.00 C ATOM 979 OE1 GLU A 85 20.627 1.392 5.548 1.00 0.00 O ATOM 980 OE2 GLU A 85 20.791 0.783 7.654 1.00 0.00 O ATOM 0 H GLU A 85 16.972 -1.019 7.745 1.00 0.00 H new ATOM 0 HA GLU A 85 17.770 1.657 7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.313 -0.634 5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.113 0.869 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.088 -0.949 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.617 -1.116 5.550 1.00 0.00 H new ATOM 987 N VAL A 86 14.914 0.769 5.938 1.00 0.00 N ATOM 988 CA VAL A 86 13.687 1.296 5.349 1.00 0.00 C ATOM 989 C VAL A 86 12.993 2.265 6.299 1.00 0.00 C ATOM 990 O VAL A 86 12.583 3.353 5.898 1.00 0.00 O ATOM 991 CB VAL A 86 12.706 0.166 4.977 1.00 0.00 C ATOM 992 CG1 VAL A 86 13.251 -0.656 3.818 1.00 0.00 C ATOM 993 CG2 VAL A 86 12.423 -0.718 6.180 1.00 0.00 C ATOM 0 H VAL A 86 14.931 -0.246 6.042 1.00 0.00 H new ATOM 0 HA VAL A 86 13.977 1.825 4.441 1.00 0.00 H new ATOM 0 HB VAL A 86 11.766 0.619 4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.545 -1.448 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.393 -0.012 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.206 -1.097 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.729 -1.509 5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.354 -1.162 6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.983 -0.118 6.977 1.00 0.00 H new ATOM 1003 N ALA A 87 12.869 1.870 7.561 1.00 0.00 N ATOM 1004 CA ALA A 87 12.226 2.712 8.562 1.00 0.00 C ATOM 1005 C ALA A 87 12.938 4.056 8.685 1.00 0.00 C ATOM 1006 O ALA A 87 12.303 5.090 8.898 1.00 0.00 O ATOM 1007 CB ALA A 87 12.196 2.004 9.908 1.00 0.00 C ATOM 0 H ALA A 87 13.205 0.974 7.914 1.00 0.00 H new ATOM 0 HA ALA A 87 11.201 2.899 8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.713 2.645 10.646 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.638 1.072 9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.215 1.787 10.228 1.00 0.00 H new ATOM 1013 N LYS A 88 14.259 4.033 8.550 1.00 0.00 N ATOM 1014 CA LYS A 88 15.061 5.247 8.647 1.00 0.00 C ATOM 1015 C LYS A 88 14.934 6.093 7.382 1.00 0.00 C ATOM 1016 O LYS A 88 14.889 7.322 7.450 1.00 0.00 O ATOM 1017 CB LYS A 88 16.530 4.893 8.895 1.00 0.00 C ATOM 1018 CG LYS A 88 16.967 5.092 10.337 1.00 0.00 C ATOM 1019 CD LYS A 88 18.075 4.125 10.721 1.00 0.00 C ATOM 1020 CE LYS A 88 19.359 4.419 9.963 1.00 0.00 C ATOM 1021 NZ LYS A 88 20.185 3.195 9.775 1.00 0.00 N ATOM 0 H LYS A 88 14.798 3.185 8.373 1.00 0.00 H new ATOM 0 HA LYS A 88 14.687 5.832 9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.697 3.853 8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.157 5.504 8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.312 6.117 10.476 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.113 4.951 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 88 18.261 4.191 11.793 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.755 3.104 10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 88 19.116 4.846 8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 88 19.937 5.168 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 21.052 3.438 9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 20.438 2.801 10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 19.643 2.490 9.236 1.00 0.00 H new ATOM 1035 N MET A 89 14.883 5.433 6.229 1.00 0.00 N ATOM 1036 CA MET A 89 14.767 6.134 4.956 1.00 0.00 C ATOM 1037 C MET A 89 13.489 6.968 4.906 1.00 0.00 C ATOM 1038 O MET A 89 13.496 8.103 4.425 1.00 0.00 O ATOM 1039 CB MET A 89 14.818 5.134 3.789 1.00 0.00 C ATOM 1040 CG MET A 89 13.456 4.724 3.243 1.00 0.00 C ATOM 1041 SD MET A 89 13.533 3.231 2.236 1.00 0.00 S ATOM 1042 CE MET A 89 14.640 3.760 0.932 1.00 0.00 C ATOM 0 H MET A 89 14.920 4.417 6.151 1.00 0.00 H new ATOM 0 HA MET A 89 15.612 6.816 4.861 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.403 5.571 2.979 1.00 0.00 H new ATOM 0 HB3 MET A 89 15.347 4.239 4.118 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.769 4.562 4.074 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.048 5.540 2.646 1.00 0.00 H new ATOM 0 HE1 MET A 89 14.467 3.156 0.041 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.455 4.809 0.701 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.672 3.637 1.259 1.00 0.00 H new ATOM 1052 N ILE A 90 12.396 6.404 5.409 1.00 0.00 N ATOM 1053 CA ILE A 90 11.117 7.102 5.423 1.00 0.00 C ATOM 1054 C ILE A 90 11.123 8.221 6.459 1.00 0.00 C ATOM 1055 O ILE A 90 10.731 9.352 6.169 1.00 0.00 O ATOM 1056 CB ILE A 90 9.949 6.142 5.723 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.996 4.939 4.780 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.617 6.869 5.596 1.00 0.00 C ATOM 1059 CD1 ILE A 90 9.875 5.313 3.318 1.00 0.00 C ATOM 0 H ILE A 90 12.371 5.467 5.812 1.00 0.00 H new ATOM 0 HA ILE A 90 10.974 7.525 4.429 1.00 0.00 H new ATOM 0 HB ILE A 90 10.048 5.783 6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.933 4.403 4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 90 9.190 4.252 5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.803 6.177 5.811 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.586 7.697 6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.508 7.254 4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.916 4.411 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.926 5.822 3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.696 5.975 3.043 1.00 0.00 H new ATOM 1071 N GLN A 91 11.577 7.899 7.667 1.00 0.00 N ATOM 1072 CA GLN A 91 11.639 8.880 8.745 1.00 0.00 C ATOM 1073 C GLN A 91 12.528 10.058 8.353 1.00 0.00 C ATOM 1074 O GLN A 91 12.374 11.163 8.875 1.00 0.00 O ATOM 1075 CB GLN A 91 12.168 8.228 10.024 1.00 0.00 C ATOM 1076 CG GLN A 91 11.071 7.714 10.942 1.00 0.00 C ATOM 1077 CD GLN A 91 11.517 7.625 12.389 1.00 0.00 C ATOM 1078 OE1 GLN A 91 12.527 8.211 12.777 1.00 0.00 O ATOM 1079 NE2 GLN A 91 10.759 6.893 13.197 1.00 0.00 N ATOM 0 H GLN A 91 11.907 6.968 7.923 1.00 0.00 H new ATOM 0 HA GLN A 91 10.631 9.252 8.927 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.824 7.400 9.756 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.775 8.952 10.567 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.205 8.373 10.872 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.750 6.729 10.603 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.930 6.424 12.832 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.006 6.800 14.182 1.00 0.00 H new ATOM 1088 N GLU A 92 13.457 9.815 7.432 1.00 0.00 N ATOM 1089 CA GLU A 92 14.367 10.857 6.972 1.00 0.00 C ATOM 1090 C GLU A 92 13.689 11.755 5.942 1.00 0.00 C ATOM 1091 O GLU A 92 13.796 12.980 6.006 1.00 0.00 O ATOM 1092 CB GLU A 92 15.626 10.231 6.368 1.00 0.00 C ATOM 1093 CG GLU A 92 16.590 9.679 7.407 1.00 0.00 C ATOM 1094 CD GLU A 92 17.921 10.405 7.412 1.00 0.00 C ATOM 1095 OE1 GLU A 92 17.938 11.616 7.719 1.00 0.00 O ATOM 1096 OE2 GLU A 92 18.949 9.762 7.108 1.00 0.00 O ATOM 0 H GLU A 92 13.598 8.906 6.991 1.00 0.00 H new ATOM 0 HA GLU A 92 14.647 11.466 7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.334 9.427 5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.142 10.980 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.136 9.754 8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.759 8.620 7.214 1.00 0.00 H new ATOM 1103 N VAL A 93 12.992 11.138 4.993 1.00 0.00 N ATOM 1104 CA VAL A 93 12.296 11.882 3.948 1.00 0.00 C ATOM 1105 C VAL A 93 11.307 12.875 4.548 1.00 0.00 C ATOM 1106 O VAL A 93 10.684 12.604 5.574 1.00 0.00 O ATOM 1107 CB VAL A 93 11.542 10.936 2.994 1.00 0.00 C ATOM 1108 CG1 VAL A 93 10.963 11.712 1.821 1.00 0.00 C ATOM 1109 CG2 VAL A 93 12.460 9.823 2.508 1.00 0.00 C ATOM 0 H VAL A 93 12.894 10.125 4.926 1.00 0.00 H new ATOM 0 HA VAL A 93 13.055 12.425 3.385 1.00 0.00 H new ATOM 0 HB VAL A 93 10.717 10.480 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.434 11.028 1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.270 12.467 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.770 12.198 1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.910 9.165 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.308 10.256 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.820 9.250 3.362 1.00 0.00 H new ATOM 1119 N LYS A 94 11.167 14.028 3.900 1.00 0.00 N ATOM 1120 CA LYS A 94 10.253 15.062 4.368 1.00 0.00 C ATOM 1121 C LYS A 94 9.339 15.532 3.242 1.00 0.00 C ATOM 1122 O LYS A 94 9.564 15.215 2.073 1.00 0.00 O ATOM 1123 CB LYS A 94 11.039 16.247 4.933 1.00 0.00 C ATOM 1124 CG LYS A 94 12.039 16.837 3.952 1.00 0.00 C ATOM 1125 CD LYS A 94 11.649 18.245 3.532 1.00 0.00 C ATOM 1126 CE LYS A 94 12.226 19.288 4.474 1.00 0.00 C ATOM 1127 NZ LYS A 94 13.710 19.355 4.387 1.00 0.00 N ATOM 0 H LYS A 94 11.676 14.269 3.049 1.00 0.00 H new ATOM 0 HA LYS A 94 9.634 14.635 5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.339 17.025 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.569 15.926 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.029 16.854 4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.104 16.199 3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.002 18.434 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.563 18.332 3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.804 20.265 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.933 19.055 5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.033 20.298 4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.127 18.635 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.009 19.179 3.406 1.00 0.00 H new ATOM 1141 N GLY A 95 8.308 16.289 3.600 1.00 0.00 N ATOM 1142 CA GLY A 95 7.375 16.790 2.607 1.00 0.00 C ATOM 1143 C GLY A 95 6.538 15.687 1.991 1.00 0.00 C ATOM 1144 O GLY A 95 6.052 14.800 2.694 1.00 0.00 O ATOM 0 H GLY A 95 8.101 16.565 4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.717 17.526 3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.927 17.305 1.821 1.00 0.00 H new ATOM 1148 N GLU A 96 6.368 15.739 0.675 1.00 0.00 N ATOM 1149 CA GLU A 96 5.584 14.736 -0.036 1.00 0.00 C ATOM 1150 C GLU A 96 6.394 13.461 -0.245 1.00 0.00 C ATOM 1151 O GLU A 96 7.220 13.381 -1.156 1.00 0.00 O ATOM 1152 CB GLU A 96 5.113 15.284 -1.384 1.00 0.00 C ATOM 1153 CG GLU A 96 6.223 15.924 -2.202 1.00 0.00 C ATOM 1154 CD GLU A 96 6.158 17.439 -2.191 1.00 0.00 C ATOM 1155 OE1 GLU A 96 5.050 17.987 -2.369 1.00 0.00 O ATOM 1156 OE2 GLU A 96 7.214 18.077 -2.004 1.00 0.00 O ATOM 0 H GLU A 96 6.763 16.466 0.078 1.00 0.00 H new ATOM 0 HA GLU A 96 4.712 14.495 0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.669 14.473 -1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.328 16.021 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.188 15.603 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.162 15.569 -3.231 1.00 0.00 H new ATOM 1163 N VAL A 97 6.152 12.467 0.601 1.00 0.00 N ATOM 1164 CA VAL A 97 6.858 11.196 0.511 1.00 0.00 C ATOM 1165 C VAL A 97 6.086 10.200 -0.350 1.00 0.00 C ATOM 1166 O VAL A 97 4.915 9.921 -0.095 1.00 0.00 O ATOM 1167 CB VAL A 97 7.089 10.585 1.906 1.00 0.00 C ATOM 1168 CG1 VAL A 97 7.947 9.332 1.805 1.00 0.00 C ATOM 1169 CG2 VAL A 97 7.729 11.605 2.837 1.00 0.00 C ATOM 0 H VAL A 97 5.471 12.517 1.358 1.00 0.00 H new ATOM 0 HA VAL A 97 7.824 11.399 0.048 1.00 0.00 H new ATOM 0 HB VAL A 97 6.122 10.303 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.100 8.914 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.445 8.597 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.912 9.586 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.884 11.155 3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.688 11.921 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.073 12.470 2.935 1.00 0.00 H new ATOM 1179 N THR A 98 6.751 9.670 -1.372 1.00 0.00 N ATOM 1180 CA THR A 98 6.127 8.707 -2.273 1.00 0.00 C ATOM 1181 C THR A 98 6.487 7.279 -1.883 1.00 0.00 C ATOM 1182 O THR A 98 7.605 7.007 -1.441 1.00 0.00 O ATOM 1183 CB THR A 98 6.555 8.976 -3.716 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.645 10.368 -3.962 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.608 8.389 -4.741 1.00 0.00 C ATOM 0 H THR A 98 7.721 9.891 -1.597 1.00 0.00 H new ATOM 0 HA THR A 98 5.046 8.823 -2.193 1.00 0.00 H new ATOM 0 HB THR A 98 7.526 8.493 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.922 10.519 -4.890 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.970 8.616 -5.744 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.555 7.308 -4.611 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.615 8.819 -4.608 1.00 0.00 H new ATOM 1193 N ILE A 99 5.533 6.368 -2.050 1.00 0.00 N ATOM 1194 CA ILE A 99 5.747 4.964 -1.720 1.00 0.00 C ATOM 1195 C ILE A 99 5.165 4.057 -2.800 1.00 0.00 C ATOM 1196 O ILE A 99 3.978 4.136 -3.119 1.00 0.00 O ATOM 1197 CB ILE A 99 5.114 4.605 -0.360 1.00 0.00 C ATOM 1198 CG1 ILE A 99 5.650 5.526 0.737 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.384 3.147 -0.011 1.00 0.00 C ATOM 1200 CD1 ILE A 99 5.041 6.911 0.719 1.00 0.00 C ATOM 0 H ILE A 99 4.603 6.578 -2.413 1.00 0.00 H new ATOM 0 HA ILE A 99 6.824 4.808 -1.660 1.00 0.00 H new ATOM 0 HB ILE A 99 4.036 4.745 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.461 5.068 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.731 5.613 0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.930 2.913 0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.956 2.504 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.460 2.980 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.469 7.507 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.252 7.389 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.962 6.836 0.857 1.00 0.00 H new ATOM 1212 N HIS A 100 6.008 3.199 -3.363 1.00 0.00 N ATOM 1213 CA HIS A 100 5.578 2.277 -4.408 1.00 0.00 C ATOM 1214 C HIS A 100 5.060 0.975 -3.804 1.00 0.00 C ATOM 1215 O HIS A 100 5.842 0.104 -3.419 1.00 0.00 O ATOM 1216 CB HIS A 100 6.732 1.984 -5.368 1.00 0.00 C ATOM 1217 CG HIS A 100 7.300 3.209 -6.013 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.087 3.532 -7.337 1.00 0.00 N ATOM 1219 CD2 HIS A 100 8.079 4.197 -5.508 1.00 0.00 C ATOM 1220 CE1 HIS A 100 7.710 4.662 -7.618 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.318 5.086 -6.528 1.00 0.00 N ATOM 0 H HIS A 100 6.994 3.122 -3.113 1.00 0.00 H new ATOM 0 HA HIS A 100 4.766 2.749 -4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.524 1.469 -4.824 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.384 1.303 -6.144 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.535 2.984 -7.996 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.443 4.271 -4.494 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.720 5.155 -8.579 1.00 0.00 H new ATOM 1230 N TYR A 101 3.741 0.848 -3.725 1.00 0.00 N ATOM 1231 CA TYR A 101 3.120 -0.347 -3.168 1.00 0.00 C ATOM 1232 C TYR A 101 2.643 -1.279 -4.276 1.00 0.00 C ATOM 1233 O TYR A 101 2.236 -0.829 -5.348 1.00 0.00 O ATOM 1234 CB TYR A 101 1.946 0.035 -2.265 1.00 0.00 C ATOM 1235 CG TYR A 101 0.838 0.767 -2.987 1.00 0.00 C ATOM 1236 CD1 TYR A 101 -0.121 0.073 -3.715 1.00 0.00 C ATOM 1237 CD2 TYR A 101 0.751 2.153 -2.941 1.00 0.00 C ATOM 1238 CE1 TYR A 101 -1.135 0.740 -4.377 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -0.261 2.826 -3.599 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.200 2.116 -4.315 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.210 2.783 -4.971 1.00 0.00 O ATOM 0 H TYR A 101 3.080 1.559 -4.040 1.00 0.00 H new ATOM 0 HA TYR A 101 3.869 -0.871 -2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.538 -0.869 -1.813 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.313 0.661 -1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -0.073 -1.005 -3.764 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.486 2.713 -2.382 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.872 0.186 -4.940 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.316 3.904 -3.552 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.113 3.747 -4.826 1.00 0.00 H new ATOM 1251 N ASN A 102 2.694 -2.581 -4.012 1.00 0.00 N ATOM 1252 CA ASN A 102 2.267 -3.578 -4.987 1.00 0.00 C ATOM 1253 C ASN A 102 0.984 -4.266 -4.533 1.00 0.00 C ATOM 1254 O ASN A 102 0.940 -4.871 -3.462 1.00 0.00 O ATOM 1255 CB ASN A 102 3.370 -4.615 -5.203 1.00 0.00 C ATOM 1256 CG ASN A 102 4.496 -4.091 -6.070 1.00 0.00 C ATOM 1257 OD1 ASN A 102 4.478 -2.939 -6.503 1.00 0.00 O ATOM 1258 ND2 ASN A 102 5.487 -4.938 -6.329 1.00 0.00 N ATOM 0 H ASN A 102 3.027 -2.970 -3.130 1.00 0.00 H new ATOM 0 HA ASN A 102 2.070 -3.069 -5.930 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.772 -4.920 -4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.943 -5.504 -5.666 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.273 -4.642 -6.907 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.461 -5.884 -5.949 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.055 -4.170 -5.356 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.340 -4.785 -5.037 1.00 0.00 C ATOM 1267 C LYS A 103 -1.274 -6.298 -5.208 1.00 0.00 C ATOM 1268 O LYS A 103 -1.046 -6.800 -6.309 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.442 -4.210 -5.928 1.00 0.00 C ATOM 1270 CG LYS A 103 -2.386 -2.696 -6.067 1.00 0.00 C ATOM 1271 CD LYS A 103 -3.546 -2.171 -6.896 1.00 0.00 C ATOM 1272 CE LYS A 103 -3.835 -0.712 -6.591 1.00 0.00 C ATOM 1273 NZ LYS A 103 -4.817 -0.128 -7.545 1.00 0.00 N ATOM 0 H LYS A 103 -0.033 -3.674 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.571 -4.562 -3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.369 -4.660 -6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.412 -4.493 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.407 -2.238 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.444 -2.407 -6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.317 -2.283 -7.956 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.436 -2.768 -6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.219 -0.623 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.907 -0.142 -6.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.987 0.869 -7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.440 -0.189 -8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.712 -0.655 -7.488 1.00 0.00 H new ATOM 1287 N LEU A 104 -1.474 -7.022 -4.111 1.00 0.00 N ATOM 1288 CA LEU A 104 -1.438 -8.480 -4.137 1.00 0.00 C ATOM 1289 C LEU A 104 -2.807 -9.070 -3.810 1.00 0.00 C ATOM 1290 O LEU A 104 -3.154 -10.153 -4.278 1.00 0.00 O ATOM 1291 CB LEU A 104 -0.396 -9.003 -3.148 1.00 0.00 C ATOM 1292 CG LEU A 104 1.040 -9.037 -3.681 1.00 0.00 C ATOM 1293 CD1 LEU A 104 1.875 -7.939 -3.040 1.00 0.00 C ATOM 1294 CD2 LEU A 104 1.669 -10.401 -3.433 1.00 0.00 C ATOM 0 H LEU A 104 -1.663 -6.622 -3.192 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.163 -8.791 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.421 -8.381 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.679 -10.011 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 104 1.011 -8.862 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.892 -7.980 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.436 -6.968 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.896 -8.082 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.689 -10.407 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.684 -10.605 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.085 -11.169 -3.941 1.00 0.00 H new ATOM 1307 N GLU B 121 8.465 -8.606 14.150 1.00 0.00 N ATOM 1308 CA GLU B 121 8.803 -7.238 14.523 1.00 0.00 C ATOM 1309 C GLU B 121 8.374 -6.258 13.435 1.00 0.00 C ATOM 1310 O GLU B 121 8.653 -6.467 12.254 1.00 0.00 O ATOM 1311 CB GLU B 121 10.307 -7.111 14.776 1.00 0.00 C ATOM 1312 CG GLU B 121 10.701 -7.356 16.222 1.00 0.00 C ATOM 1313 CD GLU B 121 12.151 -7.009 16.499 1.00 0.00 C ATOM 1314 OE1 GLU B 121 12.992 -7.213 15.598 1.00 0.00 O ATOM 1315 OE2 GLU B 121 12.446 -6.532 17.615 1.00 0.00 O ATOM 0 HA GLU B 121 8.267 -6.995 15.440 1.00 0.00 H new ATOM 0 HB2 GLU B 121 10.836 -7.820 14.139 1.00 0.00 H new ATOM 0 HB3 GLU B 121 10.634 -6.113 14.483 1.00 0.00 H new ATOM 0 HG2 GLU B 121 10.059 -6.765 16.875 1.00 0.00 H new ATOM 0 HG3 GLU B 121 10.529 -8.404 16.469 1.00 0.00 H new ATOM 1322 N SER B 122 7.694 -5.191 13.840 1.00 0.00 N ATOM 1323 CA SER B 122 7.225 -4.181 12.898 1.00 0.00 C ATOM 1324 C SER B 122 7.727 -2.794 13.290 1.00 0.00 C ATOM 1325 O SER B 122 8.034 -2.540 14.454 1.00 0.00 O ATOM 1326 CB SER B 122 5.696 -4.185 12.835 1.00 0.00 C ATOM 1327 OG SER B 122 5.139 -4.761 14.004 1.00 0.00 O ATOM 0 H SER B 122 7.455 -5.003 14.814 1.00 0.00 H new ATOM 0 HA SER B 122 7.624 -4.425 11.913 1.00 0.00 H new ATOM 0 HB2 SER B 122 5.331 -3.164 12.719 1.00 0.00 H new ATOM 0 HB3 SER B 122 5.366 -4.743 11.958 1.00 0.00 H new ATOM 0 HG SER B 122 4.161 -4.750 13.940 1.00 0.00 H new ATOM 1333 N VAL B 123 7.805 -1.902 12.308 1.00 0.00 N ATOM 1334 CA VAL B 123 8.268 -0.540 12.547 1.00 0.00 C ATOM 1335 C VAL B 123 7.298 0.480 11.961 1.00 0.00 C ATOM 1336 O VAL B 123 7.080 0.519 10.750 1.00 0.00 O ATOM 1337 CB VAL B 123 9.665 -0.307 11.942 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.219 1.042 12.377 1.00 0.00 C ATOM 1339 CG2 VAL B 123 10.611 -1.432 12.336 1.00 0.00 C ATOM 0 H VAL B 123 7.554 -2.098 11.339 1.00 0.00 H new ATOM 0 HA VAL B 123 8.322 -0.409 13.628 1.00 0.00 H new ATOM 0 HB VAL B 123 9.574 -0.302 10.856 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.207 1.188 11.939 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.552 1.835 12.040 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.296 1.070 13.464 1.00 0.00 H new ATOM 0 HG21 VAL B 123 11.593 -1.251 11.900 1.00 0.00 H new ATOM 0 HG22 VAL B 123 10.698 -1.471 13.422 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.220 -2.381 11.969 1.00 0.00 H new ATOM 1349 N LYS B 124 6.717 1.303 12.827 1.00 0.00 N ATOM 1350 CA LYS B 124 5.769 2.323 12.393 1.00 0.00 C ATOM 1351 C LYS B 124 6.492 3.615 12.024 1.00 0.00 C ATOM 1352 O LYS B 124 7.132 4.242 12.868 1.00 0.00 O ATOM 1353 CB LYS B 124 4.741 2.598 13.492 1.00 0.00 C ATOM 1354 CG LYS B 124 3.381 3.020 12.961 1.00 0.00 C ATOM 1355 CD LYS B 124 3.385 4.471 12.508 1.00 0.00 C ATOM 1356 CE LYS B 124 3.523 5.425 13.686 1.00 0.00 C ATOM 1357 NZ LYS B 124 4.571 6.454 13.445 1.00 0.00 N ATOM 0 H LYS B 124 6.886 1.284 13.833 1.00 0.00 H new ATOM 0 HA LYS B 124 5.253 1.949 11.509 1.00 0.00 H new ATOM 0 HB2 LYS B 124 4.622 1.701 14.099 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.124 3.379 14.149 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.100 2.378 12.126 1.00 0.00 H new ATOM 0 HG3 LYS B 124 2.628 2.882 13.737 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.206 4.633 11.810 1.00 0.00 H new ATOM 0 HD3 LYS B 124 2.462 4.687 11.970 1.00 0.00 H new ATOM 0 HE2 LYS B 124 2.567 5.916 13.870 1.00 0.00 H new ATOM 0 HE3 LYS B 124 3.769 4.859 14.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 4.225 7.383 13.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 5.430 6.206 13.977 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 4.792 6.493 12.429 1.00 0.00 H new ATOM 1371 N ILE B 125 6.385 4.006 10.759 1.00 0.00 N ATOM 1372 CA ILE B 125 7.027 5.224 10.279 1.00 0.00 C ATOM 1373 C ILE B 125 6.104 6.006 9.354 1.00 0.00 C ATOM 1374 O ILE B 125 6.518 7.084 8.878 1.00 0.00 O ATOM 1375 CB ILE B 125 8.340 4.912 9.534 1.00 0.00 C ATOM 1376 CG1 ILE B 125 8.118 3.798 8.510 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.430 4.525 10.520 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.375 4.253 7.272 1.00 0.00 C ATOM 1379 OXT ILE B 125 4.974 5.535 9.112 1.00 0.00 O ATOM 0 H ILE B 125 5.860 3.497 10.048 1.00 0.00 H new ATOM 0 HA ILE B 125 7.252 5.829 11.158 1.00 0.00 H new ATOM 0 HB ILE B 125 8.661 5.808 9.003 1.00 0.00 H new ATOM 0 HG12 ILE B 125 9.084 3.390 8.214 1.00 0.00 H new ATOM 0 HG13 ILE B 125 7.561 2.988 8.981 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.350 4.308 9.978 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.603 5.348 11.213 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.120 3.641 11.077 1.00 0.00 H new ATOM 0 HD11 ILE B 125 7.254 3.411 6.590 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.394 4.634 7.556 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.941 5.042 6.777 1.00 0.00 H new