USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 634 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 44 LYS NZ :NH3+ -174:sc= 1.1 (180deg=1.03) USER MOD Set 1.2: A 77 TYR OH : rot 165:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.764 X(o=-0.76,f=-0.38) USER MOD Single : A 17 ASN : amide:sc= 0.785 K(o=0.79,f=-5!) USER MOD Single : A 18 GLN : amide:sc= -0.0306 K(o=-0.031,f=-0.66) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.08 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -1.39 (180deg=-2.37!) USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.159) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 16:sc= 0.00545 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 63 THR OG1 : rot 180:sc=0.000365 USER MOD Single : A 65 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.78) USER MOD Single : A 67 LYS NZ :NH3+ -154:sc= -0.177 (180deg=-0.866) USER MOD Single : A 68 ASN : amide:sc= -1.63 K(o=-1.6,f=-4.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.511 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -170:sc= -0.339 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 106:sc= 0.594 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -90:sc= -1.5 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 8.896 15.435 -0.339 1.00 0.00 N ATOM 81 CA PRO A 9 8.511 14.283 0.481 1.00 0.00 C ATOM 82 C PRO A 9 9.279 13.020 0.103 1.00 0.00 C ATOM 83 O PRO A 9 9.484 12.737 -1.077 1.00 0.00 O ATOM 84 CB PRO A 9 7.021 14.113 0.177 1.00 0.00 C ATOM 85 CG PRO A 9 6.839 14.710 -1.175 1.00 0.00 C ATOM 86 CD PRO A 9 7.825 15.842 -1.264 1.00 0.00 C ATOM 0 HA PRO A 9 8.729 14.443 1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.732 13.062 0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.405 14.620 0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.021 13.971 -1.956 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.819 15.070 -1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.199 15.970 -2.280 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.376 16.790 -0.967 1.00 0.00 H new ATOM 94 N ILE A 10 9.699 12.265 1.113 1.00 0.00 N ATOM 95 CA ILE A 10 10.442 11.031 0.885 1.00 0.00 C ATOM 96 C ILE A 10 9.879 9.888 1.723 1.00 0.00 C ATOM 97 O ILE A 10 9.585 10.059 2.906 1.00 0.00 O ATOM 98 CB ILE A 10 11.937 11.206 1.213 1.00 0.00 C ATOM 99 CG1 ILE A 10 12.580 12.202 0.247 1.00 0.00 C ATOM 100 CG2 ILE A 10 12.652 9.865 1.154 1.00 0.00 C ATOM 101 CD1 ILE A 10 13.956 12.660 0.678 1.00 0.00 C ATOM 0 H ILE A 10 9.538 12.486 2.096 1.00 0.00 H new ATOM 0 HA ILE A 10 10.336 10.789 -0.173 1.00 0.00 H new ATOM 0 HB ILE A 10 12.028 11.600 2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.651 11.745 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.931 13.072 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.707 10.005 1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.207 9.183 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.555 9.445 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.351 13.365 -0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.889 13.147 1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.621 11.799 0.748 1.00 0.00 H new ATOM 113 N ILE A 11 9.734 8.723 1.102 1.00 0.00 N ATOM 114 CA ILE A 11 9.210 7.550 1.792 1.00 0.00 C ATOM 115 C ILE A 11 10.335 6.729 2.413 1.00 0.00 C ATOM 116 O ILE A 11 10.864 5.809 1.789 1.00 0.00 O ATOM 117 CB ILE A 11 8.400 6.652 0.838 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.263 7.448 0.195 1.00 0.00 C ATOM 119 CG2 ILE A 11 7.852 5.445 1.585 1.00 0.00 C ATOM 120 CD1 ILE A 11 6.748 6.836 -1.089 1.00 0.00 C ATOM 0 H ILE A 11 9.972 8.565 0.123 1.00 0.00 H new ATOM 0 HA ILE A 11 8.552 7.915 2.581 1.00 0.00 H new ATOM 0 HB ILE A 11 9.062 6.297 0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.440 7.529 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.609 8.461 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.282 4.820 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.678 4.868 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.203 5.781 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.943 7.453 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.558 6.780 -1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.371 5.833 -0.888 1.00 0.00 H new ATOM 132 N LEU A 12 10.694 7.067 3.647 1.00 0.00 N ATOM 133 CA LEU A 12 11.755 6.359 4.355 1.00 0.00 C ATOM 134 C LEU A 12 11.550 4.850 4.276 1.00 0.00 C ATOM 135 O LEU A 12 12.409 4.123 3.779 1.00 0.00 O ATOM 136 CB LEU A 12 11.802 6.804 5.818 1.00 0.00 C ATOM 137 CG LEU A 12 11.968 8.304 6.059 1.00 0.00 C ATOM 138 CD1 LEU A 12 11.425 8.689 7.427 1.00 0.00 C ATOM 139 CD2 LEU A 12 13.429 8.707 5.931 1.00 0.00 C ATOM 0 H LEU A 12 10.266 7.826 4.177 1.00 0.00 H new ATOM 0 HA LEU A 12 12.704 6.603 3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.883 6.478 6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.625 6.284 6.308 1.00 0.00 H new ATOM 0 HG LEU A 12 11.397 8.839 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.552 9.761 7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.366 8.438 7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.968 8.145 8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.528 9.778 6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.022 8.163 6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.786 8.469 4.929 1.00 0.00 H new ATOM 151 N GLN A 13 10.405 4.387 4.769 1.00 0.00 N ATOM 152 CA GLN A 13 10.088 2.964 4.752 1.00 0.00 C ATOM 153 C GLN A 13 8.744 2.714 4.075 1.00 0.00 C ATOM 154 O GLN A 13 7.702 2.695 4.728 1.00 0.00 O ATOM 155 CB GLN A 13 10.065 2.408 6.177 1.00 0.00 C ATOM 156 CG GLN A 13 10.273 0.904 6.248 1.00 0.00 C ATOM 157 CD GLN A 13 8.991 0.126 6.024 1.00 0.00 C ATOM 158 OE1 GLN A 13 7.988 0.354 6.701 1.00 0.00 O ATOM 159 NE2 GLN A 13 9.018 -0.798 5.071 1.00 0.00 N ATOM 0 H GLN A 13 9.683 4.976 5.184 1.00 0.00 H new ATOM 0 HA GLN A 13 10.863 2.452 4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.840 2.901 6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.110 2.656 6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.009 0.607 5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.686 0.644 7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.872 -0.953 4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.185 -1.353 4.875 1.00 0.00 H new ATOM 168 N GLY A 14 8.777 2.523 2.759 1.00 0.00 N ATOM 169 CA GLY A 14 7.556 2.277 2.015 1.00 0.00 C ATOM 170 C GLY A 14 7.114 0.829 2.087 1.00 0.00 C ATOM 171 O GLY A 14 7.508 0.081 2.982 1.00 0.00 O ATOM 0 H GLY A 14 9.627 2.534 2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.763 2.915 2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.707 2.556 0.972 1.00 0.00 H new ATOM 175 N PRO A 15 6.275 0.413 1.126 1.00 0.00 N ATOM 176 CA PRO A 15 5.761 -0.958 1.063 1.00 0.00 C ATOM 177 C PRO A 15 6.842 -1.966 0.690 1.00 0.00 C ATOM 178 O PRO A 15 8.033 -1.662 0.745 1.00 0.00 O ATOM 179 CB PRO A 15 4.695 -0.887 -0.033 1.00 0.00 C ATOM 180 CG PRO A 15 5.112 0.256 -0.893 1.00 0.00 C ATOM 181 CD PRO A 15 5.764 1.250 0.028 1.00 0.00 C ATOM 0 HA PRO A 15 5.379 -1.295 2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.650 -1.815 -0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.703 -0.724 0.389 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.805 -0.071 -1.668 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.253 0.697 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.567 1.793 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.052 1.993 0.387 1.00 0.00 H new ATOM 189 N ALA A 16 6.419 -3.168 0.311 1.00 0.00 N ATOM 190 CA ALA A 16 7.352 -4.220 -0.074 1.00 0.00 C ATOM 191 C ALA A 16 6.620 -5.395 -0.712 1.00 0.00 C ATOM 192 O ALA A 16 5.449 -5.638 -0.426 1.00 0.00 O ATOM 193 CB ALA A 16 8.149 -4.685 1.135 1.00 0.00 C ATOM 0 H ALA A 16 5.436 -3.437 0.262 1.00 0.00 H new ATOM 0 HA ALA A 16 8.040 -3.810 -0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.842 -5.471 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.709 -3.845 1.546 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.468 -5.073 1.893 1.00 0.00 H new ATOM 199 N ASN A 17 7.319 -6.122 -1.578 1.00 0.00 N ATOM 200 CA ASN A 17 6.735 -7.272 -2.258 1.00 0.00 C ATOM 201 C ASN A 17 6.523 -8.429 -1.286 1.00 0.00 C ATOM 202 O ASN A 17 7.474 -9.102 -0.891 1.00 0.00 O ATOM 203 CB ASN A 17 7.635 -7.720 -3.412 1.00 0.00 C ATOM 204 CG ASN A 17 9.094 -7.807 -3.008 1.00 0.00 C ATOM 205 OD1 ASN A 17 9.664 -6.847 -2.490 1.00 0.00 O ATOM 206 ND2 ASN A 17 9.704 -8.962 -3.243 1.00 0.00 N ATOM 0 H ASN A 17 8.291 -5.935 -1.825 1.00 0.00 H new ATOM 0 HA ASN A 17 5.766 -6.973 -2.657 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.302 -8.693 -3.772 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.532 -7.021 -4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.685 -9.081 -2.992 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.191 -9.731 -3.675 1.00 0.00 H new ATOM 213 N GLN A 18 5.269 -8.653 -0.906 1.00 0.00 N ATOM 214 CA GLN A 18 4.933 -9.728 0.020 1.00 0.00 C ATOM 215 C GLN A 18 4.045 -10.769 -0.654 1.00 0.00 C ATOM 216 O GLN A 18 3.171 -10.431 -1.454 1.00 0.00 O ATOM 217 CB GLN A 18 4.229 -9.164 1.256 1.00 0.00 C ATOM 218 CG GLN A 18 3.072 -8.234 0.926 1.00 0.00 C ATOM 219 CD GLN A 18 2.513 -7.541 2.152 1.00 0.00 C ATOM 220 OE1 GLN A 18 2.114 -8.191 3.119 1.00 0.00 O ATOM 221 NE2 GLN A 18 2.481 -6.214 2.120 1.00 0.00 N ATOM 0 H GLN A 18 4.470 -8.105 -1.225 1.00 0.00 H new ATOM 0 HA GLN A 18 5.860 -10.212 0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.858 -9.991 1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.956 -8.625 1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.407 -7.483 0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.279 -8.804 0.442 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.822 -5.715 1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.115 -5.693 2.917 1.00 0.00 H new ATOM 230 N THR A 19 4.274 -12.037 -0.327 1.00 0.00 N ATOM 231 CA THR A 19 3.497 -13.127 -0.902 1.00 0.00 C ATOM 232 C THR A 19 2.542 -13.723 0.126 1.00 0.00 C ATOM 233 O THR A 19 2.924 -14.592 0.912 1.00 0.00 O ATOM 234 CB THR A 19 4.410 -14.242 -1.445 1.00 0.00 C ATOM 235 OG1 THR A 19 5.264 -13.720 -2.469 1.00 0.00 O ATOM 236 CG2 THR A 19 3.585 -15.393 -2.003 1.00 0.00 C ATOM 0 H THR A 19 4.992 -12.334 0.334 1.00 0.00 H new ATOM 0 HA THR A 19 2.922 -12.705 -1.726 1.00 0.00 H new ATOM 0 HB THR A 19 5.018 -14.617 -0.622 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.843 -14.435 -2.808 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.251 -16.169 -2.381 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.957 -15.807 -1.214 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.955 -15.029 -2.815 1.00 0.00 H new ATOM 244 N LEU A 20 1.300 -13.253 0.116 1.00 0.00 N ATOM 245 CA LEU A 20 0.289 -13.741 1.048 1.00 0.00 C ATOM 246 C LEU A 20 -0.617 -14.769 0.379 1.00 0.00 C ATOM 247 O LEU A 20 -0.403 -15.144 -0.773 1.00 0.00 O ATOM 248 CB LEU A 20 -0.547 -12.575 1.580 1.00 0.00 C ATOM 249 CG LEU A 20 0.236 -11.385 2.134 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.652 -10.153 2.215 1.00 0.00 C ATOM 251 CD2 LEU A 20 0.817 -11.717 3.500 1.00 0.00 C ATOM 0 H LEU A 20 0.968 -12.534 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 20 0.800 -14.223 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.190 -12.218 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.201 -12.952 2.367 1.00 0.00 H new ATOM 0 HG LEU A 20 1.060 -11.169 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.078 -9.316 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.018 -9.902 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.498 -10.356 2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.371 -10.858 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.009 -11.960 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.488 -12.571 3.412 1.00 0.00 H new ATOM 263 N ALA A 21 -1.632 -15.219 1.110 1.00 0.00 N ATOM 264 CA ALA A 21 -2.574 -16.200 0.586 1.00 0.00 C ATOM 265 C ALA A 21 -3.994 -15.643 0.567 1.00 0.00 C ATOM 266 O ALA A 21 -4.436 -15.012 1.527 1.00 0.00 O ATOM 267 CB ALA A 21 -2.517 -17.478 1.409 1.00 0.00 C ATOM 0 H ALA A 21 -1.823 -14.920 2.066 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.288 -16.429 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.226 -18.202 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.510 -17.894 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.774 -17.256 2.445 1.00 0.00 H new ATOM 273 N VAL A 22 -4.704 -15.881 -0.531 1.00 0.00 N ATOM 274 CA VAL A 22 -6.074 -15.403 -0.674 1.00 0.00 C ATOM 275 C VAL A 22 -6.865 -15.610 0.612 1.00 0.00 C ATOM 276 O VAL A 22 -6.617 -16.556 1.360 1.00 0.00 O ATOM 277 CB VAL A 22 -6.799 -16.116 -1.831 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.597 -17.621 -1.741 1.00 0.00 C ATOM 279 CG2 VAL A 22 -8.280 -15.768 -1.826 1.00 0.00 C ATOM 0 H VAL A 22 -4.353 -16.402 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.016 -14.337 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.371 -15.771 -2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.116 -18.108 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.533 -17.849 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.997 -17.986 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.777 -16.280 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.725 -16.083 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.401 -14.691 -1.943 1.00 0.00 H new ATOM 289 N ASP A 23 -7.819 -14.720 0.863 1.00 0.00 N ATOM 290 CA ASP A 23 -8.649 -14.806 2.059 1.00 0.00 C ATOM 291 C ASP A 23 -7.833 -14.495 3.310 1.00 0.00 C ATOM 292 O ASP A 23 -8.037 -15.098 4.363 1.00 0.00 O ATOM 293 CB ASP A 23 -9.272 -16.198 2.174 1.00 0.00 C ATOM 294 CG ASP A 23 -10.523 -16.203 3.031 1.00 0.00 C ATOM 295 OD1 ASP A 23 -11.481 -15.480 2.686 1.00 0.00 O ATOM 296 OD2 ASP A 23 -10.544 -16.929 4.047 1.00 0.00 O ATOM 0 H ASP A 23 -8.037 -13.931 0.254 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.445 -14.066 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.516 -16.567 1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.541 -16.886 2.599 1.00 0.00 H new ATOM 301 N GLY A 24 -6.907 -13.549 3.187 1.00 0.00 N ATOM 302 CA GLY A 24 -6.074 -13.175 4.315 1.00 0.00 C ATOM 303 C GLY A 24 -6.109 -11.685 4.593 1.00 0.00 C ATOM 304 O GLY A 24 -7.166 -11.057 4.525 1.00 0.00 O ATOM 0 H GLY A 24 -6.719 -13.035 2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.405 -13.715 5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.046 -13.481 4.121 1.00 0.00 H new ATOM 308 N THR A 25 -4.950 -11.116 4.911 1.00 0.00 N ATOM 309 CA THR A 25 -4.853 -9.692 5.204 1.00 0.00 C ATOM 310 C THR A 25 -3.511 -9.128 4.752 1.00 0.00 C ATOM 311 O THR A 25 -2.457 -9.567 5.210 1.00 0.00 O ATOM 312 CB THR A 25 -5.033 -9.414 6.708 1.00 0.00 C ATOM 313 OG1 THR A 25 -5.905 -10.393 7.286 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.603 -8.022 6.937 1.00 0.00 C ATOM 0 H THR A 25 -4.065 -11.620 4.972 1.00 0.00 H new ATOM 0 HA THR A 25 -5.655 -9.201 4.653 1.00 0.00 H new ATOM 0 HB THR A 25 -4.055 -9.472 7.185 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.013 -10.210 8.243 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.721 -7.849 8.007 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.923 -7.278 6.522 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.573 -7.941 6.447 1.00 0.00 H new ATOM 322 N ALA A 26 -3.557 -8.152 3.851 1.00 0.00 N ATOM 323 CA ALA A 26 -2.344 -7.527 3.339 1.00 0.00 C ATOM 324 C ALA A 26 -2.120 -6.161 3.979 1.00 0.00 C ATOM 325 O ALA A 26 -2.887 -5.224 3.752 1.00 0.00 O ATOM 326 CB ALA A 26 -2.416 -7.397 1.825 1.00 0.00 C ATOM 0 H ALA A 26 -4.422 -7.777 3.461 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.498 -8.164 3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.503 -6.929 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.522 -8.386 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.275 -6.783 1.553 1.00 0.00 H new ATOM 332 N LEU A 27 -1.065 -6.054 4.779 1.00 0.00 N ATOM 333 CA LEU A 27 -0.739 -4.801 5.453 1.00 0.00 C ATOM 334 C LEU A 27 0.427 -4.100 4.764 1.00 0.00 C ATOM 335 O LEU A 27 1.585 -4.486 4.932 1.00 0.00 O ATOM 336 CB LEU A 27 -0.397 -5.063 6.920 1.00 0.00 C ATOM 337 CG LEU A 27 -1.585 -5.290 7.856 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.489 -4.067 7.878 1.00 0.00 C ATOM 339 CD2 LEU A 27 -2.367 -6.526 7.436 1.00 0.00 C ATOM 0 H LEU A 27 -0.420 -6.819 4.977 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.612 -4.150 5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.252 -5.937 6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.179 -4.217 7.295 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.203 -5.452 8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.329 -4.247 8.549 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.924 -3.203 8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.863 -3.873 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.208 -6.672 8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.738 -6.394 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.715 -7.399 7.474 1.00 0.00 H new ATOM 351 N LEU A 28 0.115 -3.067 3.990 1.00 0.00 N ATOM 352 CA LEU A 28 1.138 -2.308 3.277 1.00 0.00 C ATOM 353 C LEU A 28 1.569 -1.086 4.081 1.00 0.00 C ATOM 354 O LEU A 28 0.846 -0.091 4.154 1.00 0.00 O ATOM 355 CB LEU A 28 0.616 -1.874 1.906 1.00 0.00 C ATOM 356 CG LEU A 28 0.188 -3.000 0.964 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.277 -3.346 1.177 1.00 0.00 C ATOM 358 CD2 LEU A 28 0.440 -2.607 -0.485 1.00 0.00 C ATOM 0 H LEU A 28 -0.838 -2.735 3.840 1.00 0.00 H new ATOM 0 HA LEU A 28 2.006 -2.954 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.235 -1.210 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.392 -1.289 1.412 1.00 0.00 H new ATOM 0 HG LEU A 28 0.785 -3.884 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.564 -4.149 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.428 -3.670 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.891 -2.467 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.130 -3.420 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.131 -1.710 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.502 -2.410 -0.629 1.00 0.00 H new ATOM 370 N LYS A 29 2.751 -1.165 4.681 1.00 0.00 N ATOM 371 CA LYS A 29 3.281 -0.064 5.477 1.00 0.00 C ATOM 372 C LYS A 29 3.961 0.972 4.588 1.00 0.00 C ATOM 373 O LYS A 29 4.633 0.625 3.616 1.00 0.00 O ATOM 374 CB LYS A 29 4.274 -0.591 6.516 1.00 0.00 C ATOM 375 CG LYS A 29 3.620 -1.023 7.817 1.00 0.00 C ATOM 376 CD LYS A 29 2.731 -2.239 7.617 1.00 0.00 C ATOM 377 CE LYS A 29 3.517 -3.534 7.757 1.00 0.00 C ATOM 378 NZ LYS A 29 4.534 -3.684 6.681 1.00 0.00 N ATOM 0 H LYS A 29 3.361 -1.981 4.631 1.00 0.00 H new ATOM 0 HA LYS A 29 2.447 0.415 5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.815 -1.437 6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.010 0.184 6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.390 -1.251 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.028 -0.200 8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.921 -2.223 8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.271 -2.196 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.010 -3.556 8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.831 -4.380 7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.806 -4.684 6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.135 -3.357 5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.373 -3.116 6.915 1.00 0.00 H new ATOM 392 N CYS A 30 3.784 2.244 4.928 1.00 0.00 N ATOM 393 CA CYS A 30 4.381 3.331 4.162 1.00 0.00 C ATOM 394 C CYS A 30 4.563 4.573 5.029 1.00 0.00 C ATOM 395 O CYS A 30 3.595 5.259 5.362 1.00 0.00 O ATOM 396 CB CYS A 30 3.511 3.666 2.948 1.00 0.00 C ATOM 397 SG CYS A 30 4.427 4.404 1.558 1.00 0.00 S ATOM 0 H CYS A 30 3.231 2.548 5.730 1.00 0.00 H new ATOM 0 HA CYS A 30 5.362 3.003 3.818 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.021 2.755 2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.724 4.354 3.257 1.00 0.00 H new ATOM 402 N LYS A 31 5.808 4.857 5.394 1.00 0.00 N ATOM 403 CA LYS A 31 6.119 6.016 6.222 1.00 0.00 C ATOM 404 C LYS A 31 6.843 7.085 5.410 1.00 0.00 C ATOM 405 O LYS A 31 7.927 6.846 4.879 1.00 0.00 O ATOM 406 CB LYS A 31 6.977 5.599 7.418 1.00 0.00 C ATOM 407 CG LYS A 31 7.244 6.729 8.398 1.00 0.00 C ATOM 408 CD LYS A 31 7.671 6.199 9.757 1.00 0.00 C ATOM 409 CE LYS A 31 8.380 7.267 10.574 1.00 0.00 C ATOM 410 NZ LYS A 31 9.840 7.312 10.281 1.00 0.00 N ATOM 0 H LYS A 31 6.620 4.299 5.129 1.00 0.00 H new ATOM 0 HA LYS A 31 5.181 6.435 6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.481 4.783 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.929 5.212 7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.022 7.381 8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.345 7.336 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.796 5.844 10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.332 5.343 9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.937 8.240 10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.229 7.072 11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.238 8.205 10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.313 6.512 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.990 7.251 9.254 1.00 0.00 H new ATOM 424 N ALA A 32 6.238 8.265 5.321 1.00 0.00 N ATOM 425 CA ALA A 32 6.828 9.372 4.578 1.00 0.00 C ATOM 426 C ALA A 32 7.000 10.600 5.466 1.00 0.00 C ATOM 427 O ALA A 32 6.131 10.919 6.278 1.00 0.00 O ATOM 428 CB ALA A 32 5.971 9.710 3.367 1.00 0.00 C ATOM 0 H ALA A 32 5.340 8.479 5.754 1.00 0.00 H new ATOM 0 HA ALA A 32 7.816 9.062 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.423 10.538 2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.903 8.839 2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.972 9.995 3.696 1.00 0.00 H new ATOM 434 N THR A 33 8.128 11.285 5.307 1.00 0.00 N ATOM 435 CA THR A 33 8.415 12.477 6.096 1.00 0.00 C ATOM 436 C THR A 33 8.541 13.708 5.206 1.00 0.00 C ATOM 437 O THR A 33 9.058 13.631 4.092 1.00 0.00 O ATOM 438 CB THR A 33 9.712 12.312 6.911 1.00 0.00 C ATOM 439 OG1 THR A 33 9.954 13.489 7.690 1.00 0.00 O ATOM 440 CG2 THR A 33 10.898 12.053 5.994 1.00 0.00 C ATOM 0 H THR A 33 8.858 11.035 4.639 1.00 0.00 H new ATOM 0 HA THR A 33 7.578 12.612 6.781 1.00 0.00 H new ATOM 0 HB THR A 33 9.592 11.456 7.574 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.779 13.376 8.206 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.802 11.940 6.592 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.724 11.141 5.423 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.018 12.892 5.309 1.00 0.00 H new ATOM 448 N GLY A 34 8.064 14.845 5.705 1.00 0.00 N ATOM 449 CA GLY A 34 8.133 16.077 4.942 1.00 0.00 C ATOM 450 C GLY A 34 7.256 17.169 5.523 1.00 0.00 C ATOM 451 O GLY A 34 6.683 17.006 6.600 1.00 0.00 O ATOM 0 H GLY A 34 7.631 14.934 6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.166 16.423 4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.830 15.881 3.913 1.00 0.00 H new ATOM 455 N ASP A 35 7.153 18.284 4.809 1.00 0.00 N ATOM 456 CA ASP A 35 6.340 19.408 5.260 1.00 0.00 C ATOM 457 C ASP A 35 5.926 20.286 4.083 1.00 0.00 C ATOM 458 O ASP A 35 6.754 20.733 3.289 1.00 0.00 O ATOM 459 CB ASP A 35 7.108 20.240 6.288 1.00 0.00 C ATOM 460 CG ASP A 35 8.071 21.216 5.640 1.00 0.00 C ATOM 461 OD1 ASP A 35 9.061 20.757 5.032 1.00 0.00 O ATOM 462 OD2 ASP A 35 7.836 22.438 5.741 1.00 0.00 O ATOM 0 H ASP A 35 7.622 18.434 3.916 1.00 0.00 H new ATOM 0 HA ASP A 35 5.439 19.009 5.727 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.400 20.790 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.661 19.574 6.950 1.00 0.00 H new ATOM 467 N PRO A 36 4.614 20.539 3.966 1.00 0.00 N ATOM 468 CA PRO A 36 3.619 20.011 4.905 1.00 0.00 C ATOM 469 C PRO A 36 3.440 18.503 4.773 1.00 0.00 C ATOM 470 O PRO A 36 3.685 17.929 3.711 1.00 0.00 O ATOM 471 CB PRO A 36 2.334 20.739 4.505 1.00 0.00 C ATOM 472 CG PRO A 36 2.529 21.095 3.072 1.00 0.00 C ATOM 473 CD PRO A 36 4.001 21.358 2.908 1.00 0.00 C ATOM 0 HA PRO A 36 3.912 20.172 5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.460 20.101 4.639 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.177 21.628 5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.202 20.285 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.943 21.975 2.805 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.354 21.066 1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.236 22.415 3.031 1.00 0.00 H new ATOM 481 N LEU A 37 3.012 17.865 5.857 1.00 0.00 N ATOM 482 CA LEU A 37 2.800 16.422 5.862 1.00 0.00 C ATOM 483 C LEU A 37 2.272 15.945 4.513 1.00 0.00 C ATOM 484 O LEU A 37 1.202 16.350 4.059 1.00 0.00 O ATOM 485 CB LEU A 37 1.820 16.035 6.972 1.00 0.00 C ATOM 486 CG LEU A 37 1.987 14.631 7.554 1.00 0.00 C ATOM 487 CD1 LEU A 37 1.710 13.577 6.494 1.00 0.00 C ATOM 488 CD2 LEU A 37 3.384 14.456 8.132 1.00 0.00 C ATOM 0 H LEU A 37 2.805 18.324 6.744 1.00 0.00 H new ATOM 0 HA LEU A 37 3.759 15.939 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.917 16.757 7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.806 16.127 6.583 1.00 0.00 H new ATOM 0 HG LEU A 37 1.264 14.504 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.834 12.584 6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.689 13.689 6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.408 13.701 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.485 13.451 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.124 14.603 7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.545 15.188 8.923 1.00 0.00 H new ATOM 500 N PRO A 38 3.039 15.061 3.857 1.00 0.00 N ATOM 501 CA PRO A 38 2.667 14.507 2.551 1.00 0.00 C ATOM 502 C PRO A 38 1.479 13.556 2.642 1.00 0.00 C ATOM 503 O PRO A 38 1.343 12.807 3.609 1.00 0.00 O ATOM 504 CB PRO A 38 3.925 13.750 2.117 1.00 0.00 C ATOM 505 CG PRO A 38 4.619 13.406 3.389 1.00 0.00 C ATOM 506 CD PRO A 38 4.327 14.535 4.339 1.00 0.00 C ATOM 0 HA PRO A 38 2.357 15.284 1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.672 12.854 1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.556 14.366 1.476 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.257 12.458 3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.692 13.297 3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.258 14.186 5.369 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.107 15.295 4.312 1.00 0.00 H new ATOM 514 N VAL A 39 0.619 13.592 1.629 1.00 0.00 N ATOM 515 CA VAL A 39 -0.558 12.732 1.594 1.00 0.00 C ATOM 516 C VAL A 39 -0.255 11.414 0.890 1.00 0.00 C ATOM 517 O VAL A 39 -0.051 11.380 -0.324 1.00 0.00 O ATOM 518 CB VAL A 39 -1.736 13.423 0.882 1.00 0.00 C ATOM 519 CG1 VAL A 39 -2.941 12.496 0.820 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.091 14.726 1.582 1.00 0.00 C ATOM 0 H VAL A 39 0.715 14.208 0.822 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.835 12.532 2.629 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.434 13.656 -0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.763 13.002 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.677 11.592 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.247 12.229 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.925 15.201 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.373 14.519 2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.229 15.393 1.568 1.00 0.00 H new ATOM 530 N ILE A 40 -0.228 10.331 1.659 1.00 0.00 N ATOM 531 CA ILE A 40 0.049 9.010 1.109 1.00 0.00 C ATOM 532 C ILE A 40 -1.108 8.522 0.243 1.00 0.00 C ATOM 533 O ILE A 40 -2.271 8.614 0.635 1.00 0.00 O ATOM 534 CB ILE A 40 0.312 7.980 2.223 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.432 8.467 3.144 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.664 6.628 1.621 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.791 8.492 2.481 1.00 0.00 C ATOM 0 H ILE A 40 -0.395 10.342 2.665 1.00 0.00 H new ATOM 0 HA ILE A 40 0.945 9.105 0.495 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.596 7.867 2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.191 9.469 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.476 7.822 4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.847 5.910 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.163 6.279 1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.560 6.725 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.536 8.847 3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.054 7.487 2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.764 9.160 1.620 1.00 0.00 H new ATOM 549 N SER A 41 -0.780 8.002 -0.935 1.00 0.00 N ATOM 550 CA SER A 41 -1.792 7.501 -1.858 1.00 0.00 C ATOM 551 C SER A 41 -1.326 6.210 -2.525 1.00 0.00 C ATOM 552 O SER A 41 -0.165 6.084 -2.914 1.00 0.00 O ATOM 553 CB SER A 41 -2.108 8.554 -2.922 1.00 0.00 C ATOM 554 OG SER A 41 -2.976 9.550 -2.411 1.00 0.00 O ATOM 0 H SER A 41 0.179 7.916 -1.273 1.00 0.00 H new ATOM 0 HA SER A 41 -2.697 7.289 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.183 9.016 -3.267 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.568 8.075 -3.787 1.00 0.00 H new ATOM 0 HG SER A 41 -2.989 9.502 -1.432 1.00 0.00 H new ATOM 560 N TRP A 42 -2.241 5.256 -2.654 1.00 0.00 N ATOM 561 CA TRP A 42 -1.925 3.974 -3.275 1.00 0.00 C ATOM 562 C TRP A 42 -2.630 3.832 -4.619 1.00 0.00 C ATOM 563 O TRP A 42 -3.852 3.953 -4.707 1.00 0.00 O ATOM 564 CB TRP A 42 -2.327 2.824 -2.350 1.00 0.00 C ATOM 565 CG TRP A 42 -1.693 2.902 -0.995 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.127 3.634 0.073 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.508 2.223 -0.563 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.284 3.452 1.142 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.284 2.590 0.779 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.383 1.340 -1.178 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.796 2.105 1.512 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.454 0.859 -0.448 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.653 1.242 0.885 1.00 0.00 C ATOM 0 H TRP A 42 -3.207 5.345 -2.337 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.849 3.936 -3.445 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.411 2.821 -2.236 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.053 1.878 -2.818 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.004 4.264 0.077 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.386 3.888 2.058 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.238 1.039 -2.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.952 2.400 2.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.149 0.176 -0.913 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.499 0.848 1.428 1.00 0.00 H new ATOM 584 N LEU A 43 -1.852 3.575 -5.665 1.00 0.00 N ATOM 585 CA LEU A 43 -2.402 3.416 -7.007 1.00 0.00 C ATOM 586 C LEU A 43 -2.261 1.975 -7.487 1.00 0.00 C ATOM 587 O LEU A 43 -1.155 1.437 -7.551 1.00 0.00 O ATOM 588 CB LEU A 43 -1.700 4.362 -7.983 1.00 0.00 C ATOM 589 CG LEU A 43 -2.134 5.827 -7.927 1.00 0.00 C ATOM 590 CD1 LEU A 43 -1.254 6.679 -8.829 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.597 5.965 -8.322 1.00 0.00 C ATOM 0 H LEU A 43 -0.839 3.472 -5.610 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.463 3.664 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.627 4.314 -7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.864 3.994 -8.996 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.020 6.181 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.578 7.719 -8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.217 6.605 -8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.336 6.325 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.889 7.014 -8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.736 5.593 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.215 5.386 -7.636 1.00 0.00 H new ATOM 603 N LYS A 44 -3.387 1.356 -7.825 1.00 0.00 N ATOM 604 CA LYS A 44 -3.389 -0.022 -8.302 1.00 0.00 C ATOM 605 C LYS A 44 -3.271 -0.071 -9.822 1.00 0.00 C ATOM 606 O LYS A 44 -4.242 0.175 -10.537 1.00 0.00 O ATOM 607 CB LYS A 44 -4.667 -0.735 -7.856 1.00 0.00 C ATOM 608 CG LYS A 44 -4.637 -2.236 -8.084 1.00 0.00 C ATOM 609 CD LYS A 44 -5.910 -2.902 -7.588 1.00 0.00 C ATOM 610 CE LYS A 44 -5.766 -4.415 -7.540 1.00 0.00 C ATOM 611 NZ LYS A 44 -5.156 -4.874 -6.261 1.00 0.00 N ATOM 0 H LYS A 44 -4.310 1.787 -7.777 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.527 -0.531 -7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.831 -0.540 -6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.516 -0.311 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.509 -2.441 -9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.777 -2.666 -7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.154 -2.527 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.740 -2.635 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.746 -4.877 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.151 -4.748 -8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.981 -5.898 -6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.256 -4.376 -6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.804 -4.669 -5.474 1.00 0.00 H new ATOM 625 N GLU A 45 -2.076 -0.391 -10.308 1.00 0.00 N ATOM 626 CA GLU A 45 -1.833 -0.473 -11.744 1.00 0.00 C ATOM 627 C GLU A 45 -2.168 0.849 -12.428 1.00 0.00 C ATOM 628 O GLU A 45 -2.738 0.869 -13.519 1.00 0.00 O ATOM 629 CB GLU A 45 -2.660 -1.603 -12.360 1.00 0.00 C ATOM 630 CG GLU A 45 -2.218 -2.989 -11.921 1.00 0.00 C ATOM 631 CD GLU A 45 -2.784 -4.087 -12.800 1.00 0.00 C ATOM 632 OE1 GLU A 45 -2.443 -4.121 -14.001 1.00 0.00 O ATOM 633 OE2 GLU A 45 -3.569 -4.913 -12.288 1.00 0.00 O ATOM 0 H GLU A 45 -1.262 -0.598 -9.729 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.774 -0.683 -11.896 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.707 -1.463 -12.092 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.597 -1.538 -13.446 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.129 -3.041 -11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.530 -3.156 -10.890 1.00 0.00 H new ATOM 640 N GLY A 46 -1.811 1.953 -11.779 1.00 0.00 N ATOM 641 CA GLY A 46 -2.082 3.264 -12.339 1.00 0.00 C ATOM 642 C GLY A 46 -3.555 3.622 -12.290 1.00 0.00 C ATOM 643 O GLY A 46 -4.133 4.040 -13.294 1.00 0.00 O ATOM 0 H GLY A 46 -1.339 1.963 -10.875 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.510 4.014 -11.793 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.739 3.292 -13.373 1.00 0.00 H new ATOM 647 N PHE A 47 -4.164 3.455 -11.121 1.00 0.00 N ATOM 648 CA PHE A 47 -5.579 3.761 -10.947 1.00 0.00 C ATOM 649 C PHE A 47 -5.913 3.966 -9.472 1.00 0.00 C ATOM 650 O PHE A 47 -5.284 3.377 -8.592 1.00 0.00 O ATOM 651 CB PHE A 47 -6.441 2.636 -11.525 1.00 0.00 C ATOM 652 CG PHE A 47 -6.620 2.723 -13.013 1.00 0.00 C ATOM 653 CD1 PHE A 47 -7.543 3.597 -13.564 1.00 0.00 C ATOM 654 CD2 PHE A 47 -5.865 1.930 -13.862 1.00 0.00 C ATOM 655 CE1 PHE A 47 -7.710 3.680 -14.933 1.00 0.00 C ATOM 656 CE2 PHE A 47 -6.027 2.008 -15.233 1.00 0.00 C ATOM 657 CZ PHE A 47 -6.952 2.883 -15.769 1.00 0.00 C ATOM 0 H PHE A 47 -3.700 3.110 -10.281 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.794 4.686 -11.483 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.986 1.677 -11.277 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.421 2.657 -11.047 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.139 4.221 -12.915 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.142 1.243 -13.448 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.432 4.367 -15.349 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.431 1.386 -15.884 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.082 2.944 -16.839 1.00 0.00 H new ATOM 667 N THR A 48 -6.908 4.808 -9.208 1.00 0.00 N ATOM 668 CA THR A 48 -7.325 5.093 -7.841 1.00 0.00 C ATOM 669 C THR A 48 -7.496 3.809 -7.039 1.00 0.00 C ATOM 670 O THR A 48 -8.004 2.810 -7.548 1.00 0.00 O ATOM 671 CB THR A 48 -8.647 5.884 -7.811 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.919 6.333 -6.479 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.802 5.027 -8.308 1.00 0.00 C ATOM 0 H THR A 48 -7.440 5.304 -9.923 1.00 0.00 H new ATOM 0 HA THR A 48 -6.538 5.697 -7.390 1.00 0.00 H new ATOM 0 HB THR A 48 -8.544 6.746 -8.471 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.760 6.836 -6.469 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.725 5.607 -8.278 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.606 4.711 -9.332 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.904 4.149 -7.670 1.00 0.00 H new ATOM 681 N PHE A 49 -7.069 3.841 -5.781 1.00 0.00 N ATOM 682 CA PHE A 49 -7.175 2.678 -4.907 1.00 0.00 C ATOM 683 C PHE A 49 -6.795 3.038 -3.474 1.00 0.00 C ATOM 684 O PHE A 49 -5.851 3.789 -3.225 1.00 0.00 O ATOM 685 CB PHE A 49 -6.278 1.548 -5.417 1.00 0.00 C ATOM 686 CG PHE A 49 -6.315 0.319 -4.555 1.00 0.00 C ATOM 687 CD1 PHE A 49 -5.461 0.190 -3.471 1.00 0.00 C ATOM 688 CD2 PHE A 49 -7.205 -0.708 -4.828 1.00 0.00 C ATOM 689 CE1 PHE A 49 -5.493 -0.940 -2.677 1.00 0.00 C ATOM 690 CE2 PHE A 49 -7.241 -1.841 -4.037 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.385 -1.957 -2.959 1.00 0.00 C ATOM 0 H PHE A 49 -6.646 4.660 -5.344 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.212 2.341 -4.915 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.583 1.282 -6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.251 1.909 -5.478 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.763 0.982 -3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.878 -0.622 -5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.821 -1.029 -1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.938 -2.635 -4.262 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.413 -2.840 -2.338 1.00 0.00 H new ATOM 701 N PRO A 50 -7.546 2.490 -2.508 1.00 0.00 N ATOM 702 CA PRO A 50 -8.672 1.595 -2.792 1.00 0.00 C ATOM 703 C PRO A 50 -9.849 2.328 -3.427 1.00 0.00 C ATOM 704 O PRO A 50 -10.526 1.792 -4.304 1.00 0.00 O ATOM 705 CB PRO A 50 -9.057 1.061 -1.410 1.00 0.00 C ATOM 706 CG PRO A 50 -8.596 2.108 -0.457 1.00 0.00 C ATOM 707 CD PRO A 50 -7.355 2.703 -1.063 1.00 0.00 C ATOM 0 HA PRO A 50 -8.404 0.816 -3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.133 0.902 -1.333 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.577 0.103 -1.208 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.363 2.869 -0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.385 1.678 0.522 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.258 3.762 -0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.454 2.209 -0.700 1.00 0.00 H new ATOM 715 N GLY A 51 -10.087 3.557 -2.979 1.00 0.00 N ATOM 716 CA GLY A 51 -11.182 4.343 -3.516 1.00 0.00 C ATOM 717 C GLY A 51 -12.338 4.468 -2.542 1.00 0.00 C ATOM 718 O GLY A 51 -12.213 5.112 -1.500 1.00 0.00 O ATOM 0 H GLY A 51 -9.541 4.022 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.819 5.338 -3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.536 3.884 -4.439 1.00 0.00 H new ATOM 772 N ARG A 55 -14.102 -2.734 1.975 1.00 0.00 N ATOM 773 CA ARG A 55 -13.241 -3.872 2.277 1.00 0.00 C ATOM 774 C ARG A 55 -11.819 -3.411 2.585 1.00 0.00 C ATOM 775 O ARG A 55 -11.209 -3.855 3.557 1.00 0.00 O ATOM 776 CB ARG A 55 -13.228 -4.854 1.105 1.00 0.00 C ATOM 777 CG ARG A 55 -14.529 -5.624 0.942 1.00 0.00 C ATOM 778 CD ARG A 55 -14.497 -6.939 1.706 1.00 0.00 C ATOM 779 NE ARG A 55 -13.721 -6.836 2.939 1.00 0.00 N ATOM 780 CZ ARG A 55 -13.914 -7.618 3.996 1.00 0.00 C ATOM 781 NH1 ARG A 55 -14.852 -8.555 3.969 1.00 0.00 N ATOM 782 NH2 ARG A 55 -13.168 -7.464 5.082 1.00 0.00 N ATOM 0 HA ARG A 55 -13.640 -4.374 3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.022 -4.306 0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.411 -5.562 1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.360 -5.015 1.298 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.707 -5.820 -0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.516 -7.245 1.943 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.070 -7.716 1.072 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.991 -6.125 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.427 -8.677 3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.998 -9.154 4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.445 -6.745 5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.317 -8.065 5.893 1.00 0.00 H new ATOM 796 N ALA A 56 -11.298 -2.519 1.749 1.00 0.00 N ATOM 797 CA ALA A 56 -9.949 -1.998 1.932 1.00 0.00 C ATOM 798 C ALA A 56 -9.978 -0.606 2.554 1.00 0.00 C ATOM 799 O ALA A 56 -10.896 0.177 2.307 1.00 0.00 O ATOM 800 CB ALA A 56 -9.209 -1.969 0.603 1.00 0.00 C ATOM 0 H ALA A 56 -11.790 -2.142 0.939 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.420 -2.662 2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.203 -1.578 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.148 -2.979 0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.745 -1.329 -0.098 1.00 0.00 H new ATOM 806 N THR A 57 -8.968 -0.303 3.363 1.00 0.00 N ATOM 807 CA THR A 57 -8.879 0.994 4.021 1.00 0.00 C ATOM 808 C THR A 57 -7.431 1.351 4.340 1.00 0.00 C ATOM 809 O THR A 57 -6.542 0.502 4.265 1.00 0.00 O ATOM 810 CB THR A 57 -9.701 1.021 5.324 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.723 2.347 5.863 1.00 0.00 O ATOM 812 CG2 THR A 57 -9.120 0.060 6.350 1.00 0.00 C ATOM 0 H THR A 57 -8.200 -0.939 3.578 1.00 0.00 H new ATOM 0 HA THR A 57 -9.287 1.729 3.327 1.00 0.00 H new ATOM 0 HB THR A 57 -10.719 0.708 5.092 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.249 2.355 6.690 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.717 0.096 7.261 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.133 -0.953 5.948 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.093 0.347 6.577 1.00 0.00 H new ATOM 820 N ILE A 58 -7.202 2.610 4.698 1.00 0.00 N ATOM 821 CA ILE A 58 -5.862 3.077 5.030 1.00 0.00 C ATOM 822 C ILE A 58 -5.768 3.476 6.499 1.00 0.00 C ATOM 823 O ILE A 58 -6.654 4.146 7.027 1.00 0.00 O ATOM 824 CB ILE A 58 -5.451 4.277 4.156 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.618 3.937 2.674 1.00 0.00 C ATOM 826 CG2 ILE A 58 -4.016 4.682 4.454 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.521 5.140 1.763 1.00 0.00 C ATOM 0 H ILE A 58 -7.927 3.324 4.765 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.182 2.248 4.837 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.102 5.119 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.856 3.212 2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.585 3.457 2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.740 5.531 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.927 4.961 5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.350 3.845 4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.649 4.824 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.300 5.857 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.544 5.608 1.881 1.00 0.00 H new ATOM 888 N GLY A 62 -1.310 5.691 5.861 1.00 0.00 N ATOM 889 CA GLY A 62 -0.298 4.998 5.085 1.00 0.00 C ATOM 890 C GLY A 62 -0.457 3.492 5.137 1.00 0.00 C ATOM 891 O GLY A 62 -0.569 2.836 4.101 1.00 0.00 O ATOM 0 HA2 GLY A 62 -0.349 5.330 4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.690 5.269 5.458 1.00 0.00 H new ATOM 895 N THR A 63 -0.467 2.940 6.346 1.00 0.00 N ATOM 896 CA THR A 63 -0.610 1.501 6.529 1.00 0.00 C ATOM 897 C THR A 63 -1.910 0.996 5.913 1.00 0.00 C ATOM 898 O THR A 63 -2.943 0.934 6.582 1.00 0.00 O ATOM 899 CB THR A 63 -0.579 1.118 8.020 1.00 0.00 C ATOM 900 OG1 THR A 63 0.500 1.792 8.677 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.423 -0.385 8.190 1.00 0.00 C ATOM 0 H THR A 63 -0.378 3.468 7.214 1.00 0.00 H new ATOM 0 HA THR A 63 0.235 1.033 6.024 1.00 0.00 H new ATOM 0 HB THR A 63 -1.524 1.422 8.470 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.512 1.544 9.625 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.404 -0.631 9.252 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.262 -0.894 7.715 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.508 -0.709 7.726 1.00 0.00 H new ATOM 909 N LEU A 64 -1.854 0.636 4.636 1.00 0.00 N ATOM 910 CA LEU A 64 -3.028 0.135 3.930 1.00 0.00 C ATOM 911 C LEU A 64 -3.383 -1.274 4.394 1.00 0.00 C ATOM 912 O LEU A 64 -2.502 -2.072 4.715 1.00 0.00 O ATOM 913 CB LEU A 64 -2.780 0.139 2.420 1.00 0.00 C ATOM 914 CG LEU A 64 -4.026 0.109 1.535 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.763 0.825 0.219 1.00 0.00 C ATOM 916 CD2 LEU A 64 -4.468 -1.325 1.285 1.00 0.00 C ATOM 0 H LEU A 64 -1.008 0.682 4.068 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.866 0.794 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.202 1.029 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.161 -0.723 2.171 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.830 0.630 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.661 0.794 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.495 1.863 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.945 0.332 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.356 -1.327 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.667 -1.871 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.698 -1.806 2.236 1.00 0.00 H new ATOM 928 N GLN A 65 -4.677 -1.573 4.426 1.00 0.00 N ATOM 929 CA GLN A 65 -5.148 -2.886 4.850 1.00 0.00 C ATOM 930 C GLN A 65 -6.223 -3.411 3.904 1.00 0.00 C ATOM 931 O GLN A 65 -7.170 -2.698 3.569 1.00 0.00 O ATOM 932 CB GLN A 65 -5.696 -2.819 6.276 1.00 0.00 C ATOM 933 CG GLN A 65 -6.261 -4.140 6.773 1.00 0.00 C ATOM 934 CD GLN A 65 -6.375 -4.194 8.284 1.00 0.00 C ATOM 935 OE1 GLN A 65 -6.312 -3.167 8.960 1.00 0.00 O ATOM 936 NE2 GLN A 65 -6.544 -5.396 8.823 1.00 0.00 N ATOM 0 H GLN A 65 -5.418 -0.924 4.163 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.302 -3.572 4.825 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.900 -2.498 6.948 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.477 -2.059 6.321 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.245 -4.299 6.332 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.623 -4.955 6.431 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.591 -6.221 8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.627 -5.494 9.835 1.00 0.00 H new ATOM 945 N ILE A 66 -6.069 -4.659 3.476 1.00 0.00 N ATOM 946 CA ILE A 66 -7.028 -5.279 2.569 1.00 0.00 C ATOM 947 C ILE A 66 -7.344 -6.708 2.996 1.00 0.00 C ATOM 948 O ILE A 66 -6.452 -7.550 3.096 1.00 0.00 O ATOM 949 CB ILE A 66 -6.505 -5.291 1.120 1.00 0.00 C ATOM 950 CG1 ILE A 66 -5.886 -3.938 0.766 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.629 -5.635 0.154 1.00 0.00 C ATOM 952 CD1 ILE A 66 -4.967 -3.989 -0.434 1.00 0.00 C ATOM 0 H ILE A 66 -5.290 -5.261 3.742 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.938 -4.680 2.613 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.733 -6.055 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.685 -3.222 0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.328 -3.567 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.244 -5.640 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.028 -6.620 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.422 -4.892 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.565 -2.994 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.148 -4.680 -0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.526 -4.329 -1.306 1.00 0.00 H new ATOM 964 N LYS A 67 -8.621 -6.976 3.245 1.00 0.00 N ATOM 965 CA LYS A 67 -9.059 -8.304 3.658 1.00 0.00 C ATOM 966 C LYS A 67 -9.754 -9.030 2.511 1.00 0.00 C ATOM 967 O LYS A 67 -9.834 -8.515 1.396 1.00 0.00 O ATOM 968 CB LYS A 67 -10.003 -8.203 4.858 1.00 0.00 C ATOM 969 CG LYS A 67 -9.528 -7.232 5.926 1.00 0.00 C ATOM 970 CD LYS A 67 -8.638 -7.920 6.948 1.00 0.00 C ATOM 971 CE LYS A 67 -9.455 -8.523 8.081 1.00 0.00 C ATOM 972 NZ LYS A 67 -10.222 -7.486 8.825 1.00 0.00 N ATOM 0 H LYS A 67 -9.372 -6.290 3.168 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.177 -8.876 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.988 -7.893 4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.119 -9.191 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.981 -6.414 5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.389 -6.793 6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.058 -8.703 6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.925 -7.202 7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.144 -9.264 7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.791 -9.047 8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.396 -7.814 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.675 -6.602 8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.131 -7.317 8.348 1.00 0.00 H new ATOM 986 N ASN A 68 -10.256 -10.228 2.792 1.00 0.00 N ATOM 987 CA ASN A 68 -10.946 -11.023 1.783 1.00 0.00 C ATOM 988 C ASN A 68 -10.220 -10.950 0.443 1.00 0.00 C ATOM 989 O ASN A 68 -10.846 -10.976 -0.617 1.00 0.00 O ATOM 990 CB ASN A 68 -12.389 -10.540 1.621 1.00 0.00 C ATOM 991 CG ASN A 68 -13.347 -11.258 2.551 1.00 0.00 C ATOM 992 OD1 ASN A 68 -13.642 -10.779 3.647 1.00 0.00 O ATOM 993 ND2 ASN A 68 -13.838 -12.413 2.118 1.00 0.00 N ATOM 0 H ASN A 68 -10.198 -10.669 3.710 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.953 -12.061 2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.434 -9.468 1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.706 -10.692 0.589 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.487 -12.942 2.700 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.566 -12.772 1.203 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.896 -10.860 0.498 1.00 0.00 N ATOM 1001 CA LEU A 69 -8.083 -10.784 -0.711 1.00 0.00 C ATOM 1002 C LEU A 69 -8.532 -11.821 -1.735 1.00 0.00 C ATOM 1003 O LEU A 69 -9.280 -12.744 -1.411 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.606 -10.993 -0.370 1.00 0.00 C ATOM 1005 CG LEU A 69 -6.036 -10.091 0.725 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.828 -10.744 1.378 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.666 -8.729 0.155 1.00 0.00 C ATOM 0 H LEU A 69 -8.362 -10.838 1.367 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.213 -9.792 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.467 -12.031 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.020 -10.845 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.802 -9.947 1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.435 -10.088 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.124 -11.695 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.058 -10.918 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.262 -8.100 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.917 -8.853 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.554 -8.257 -0.265 1.00 0.00 H new ATOM 1019 N ARG A 70 -8.070 -11.664 -2.971 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.423 -12.588 -4.042 1.00 0.00 C ATOM 1021 C ARG A 70 -7.271 -12.738 -5.032 1.00 0.00 C ATOM 1022 O ARG A 70 -6.451 -11.833 -5.187 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.676 -12.100 -4.772 1.00 0.00 C ATOM 1024 CG ARG A 70 -10.912 -12.044 -3.889 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.183 -11.935 -4.716 1.00 0.00 C ATOM 1026 NE ARG A 70 -12.476 -10.554 -5.090 1.00 0.00 N ATOM 1027 CZ ARG A 70 -13.688 -10.123 -5.421 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -14.715 -10.961 -5.424 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -13.875 -8.851 -5.750 1.00 0.00 N ATOM 0 H ARG A 70 -7.450 -10.905 -3.256 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.626 -13.562 -3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.485 -11.107 -5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.873 -12.759 -5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.957 -12.938 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.841 -11.190 -3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.083 -12.541 -5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.020 -12.343 -4.149 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.707 -9.883 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.576 -11.939 -5.172 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.645 -10.627 -5.679 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.087 -8.203 -5.749 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.806 -8.522 -6.004 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.217 -13.887 -5.697 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.166 -14.156 -6.672 1.00 0.00 C ATOM 1045 C ILE A 71 -6.068 -13.032 -7.698 1.00 0.00 C ATOM 1046 O ILE A 71 -5.069 -12.911 -8.407 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.407 -15.488 -7.406 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.509 -16.638 -6.403 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.293 -15.749 -8.409 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -5.221 -16.901 -5.653 1.00 0.00 C ATOM 0 H ILE A 71 -7.888 -14.646 -5.579 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.230 -14.221 -6.118 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.350 -15.421 -7.949 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.299 -16.415 -5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.805 -17.545 -6.931 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.477 -16.694 -8.920 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.265 -14.941 -9.140 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.338 -15.799 -7.887 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.366 -17.729 -4.959 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.433 -17.155 -6.362 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.935 -16.008 -5.097 1.00 0.00 H new ATOM 1062 N SER A 72 -7.111 -12.212 -7.770 1.00 0.00 N ATOM 1063 CA SER A 72 -7.144 -11.098 -8.712 1.00 0.00 C ATOM 1064 C SER A 72 -6.452 -9.871 -8.126 1.00 0.00 C ATOM 1065 O SER A 72 -5.659 -9.212 -8.799 1.00 0.00 O ATOM 1066 CB SER A 72 -8.589 -10.756 -9.078 1.00 0.00 C ATOM 1067 OG SER A 72 -8.638 -9.734 -10.060 1.00 0.00 O ATOM 0 H SER A 72 -7.944 -12.297 -7.188 1.00 0.00 H new ATOM 0 HA SER A 72 -6.610 -11.399 -9.613 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.094 -11.647 -9.451 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.127 -10.434 -8.186 1.00 0.00 H new ATOM 0 HG SER A 72 -9.572 -9.534 -10.278 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.757 -9.572 -6.868 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.164 -8.425 -6.190 1.00 0.00 C ATOM 1075 C ASP A 73 -4.680 -8.303 -6.525 1.00 0.00 C ATOM 1076 O ASP A 73 -4.149 -7.199 -6.647 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.350 -8.549 -4.677 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.675 -7.981 -4.208 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.589 -7.839 -5.047 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -7.798 -7.678 -3.003 1.00 0.00 O ATOM 0 H ASP A 73 -7.411 -10.108 -6.297 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.671 -7.525 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.286 -9.599 -4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.536 -8.031 -4.170 1.00 0.00 H new ATOM 1085 N THR A 74 -4.016 -9.446 -6.671 1.00 0.00 N ATOM 1086 CA THR A 74 -2.594 -9.467 -6.989 1.00 0.00 C ATOM 1087 C THR A 74 -2.242 -8.391 -8.009 1.00 0.00 C ATOM 1088 O THR A 74 -2.460 -8.563 -9.208 1.00 0.00 O ATOM 1089 CB THR A 74 -2.162 -10.840 -7.538 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.315 -11.842 -6.527 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.716 -10.804 -8.008 1.00 0.00 C ATOM 0 H THR A 74 -4.440 -10.368 -6.574 1.00 0.00 H new ATOM 0 HA THR A 74 -2.060 -9.270 -6.060 1.00 0.00 H new ATOM 0 HB THR A 74 -2.798 -11.083 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.040 -12.712 -6.884 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.434 -11.784 -8.391 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.609 -10.061 -8.798 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.068 -10.541 -7.172 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.696 -7.279 -7.525 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.322 -6.191 -8.410 1.00 0.00 C ATOM 1101 C GLY A 75 -0.081 -5.460 -7.937 1.00 0.00 C ATOM 1102 O GLY A 75 0.560 -5.870 -6.970 1.00 0.00 O ATOM 0 H GLY A 75 -1.506 -7.112 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.149 -6.585 -9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.150 -5.486 -8.484 1.00 0.00 H new ATOM 1106 N THR A 76 0.260 -4.373 -8.623 1.00 0.00 N ATOM 1107 CA THR A 76 1.434 -3.584 -8.270 1.00 0.00 C ATOM 1108 C THR A 76 1.035 -2.217 -7.728 1.00 0.00 C ATOM 1109 O THR A 76 0.851 -1.266 -8.489 1.00 0.00 O ATOM 1110 CB THR A 76 2.367 -3.393 -9.480 1.00 0.00 C ATOM 1111 OG1 THR A 76 3.080 -4.606 -9.746 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.354 -2.263 -9.229 1.00 0.00 C ATOM 0 H THR A 76 -0.260 -4.019 -9.426 1.00 0.00 H new ATOM 0 HA THR A 76 1.965 -4.137 -7.495 1.00 0.00 H new ATOM 0 HB THR A 76 1.756 -3.135 -10.345 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.670 -4.476 -10.518 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.003 -2.147 -10.097 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.809 -1.335 -9.057 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.959 -2.496 -8.353 1.00 0.00 H new ATOM 1120 N TYR A 77 0.904 -2.123 -6.409 1.00 0.00 N ATOM 1121 CA TYR A 77 0.525 -0.870 -5.766 1.00 0.00 C ATOM 1122 C TYR A 77 1.628 0.174 -5.914 1.00 0.00 C ATOM 1123 O TYR A 77 2.758 -0.146 -6.286 1.00 0.00 O ATOM 1124 CB TYR A 77 0.225 -1.104 -4.285 1.00 0.00 C ATOM 1125 CG TYR A 77 -0.873 -2.115 -4.042 1.00 0.00 C ATOM 1126 CD1 TYR A 77 -2.206 -1.787 -4.258 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.578 -3.397 -3.595 1.00 0.00 C ATOM 1128 CE1 TYR A 77 -3.213 -2.707 -4.037 1.00 0.00 C ATOM 1129 CE2 TYR A 77 -1.578 -4.323 -3.373 1.00 0.00 C ATOM 1130 CZ TYR A 77 -2.894 -3.974 -3.595 1.00 0.00 C ATOM 1131 OH TYR A 77 -3.893 -4.894 -3.373 1.00 0.00 O ATOM 0 H TYR A 77 1.055 -2.899 -5.765 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.373 -0.496 -6.258 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.134 -1.441 -3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.057 -0.156 -3.826 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.459 -0.796 -4.605 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.451 -3.674 -3.418 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.244 -2.436 -4.209 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.331 -5.316 -3.027 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.502 -5.790 -3.300 1.00 0.00 H new ATOM 1141 N THR A 78 1.292 1.426 -5.620 1.00 0.00 N ATOM 1142 CA THR A 78 2.251 2.519 -5.721 1.00 0.00 C ATOM 1143 C THR A 78 2.005 3.567 -4.642 1.00 0.00 C ATOM 1144 O THR A 78 1.036 4.325 -4.707 1.00 0.00 O ATOM 1145 CB THR A 78 2.189 3.196 -7.103 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.515 2.250 -8.127 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.147 4.376 -7.171 1.00 0.00 C ATOM 0 H THR A 78 0.362 1.708 -5.310 1.00 0.00 H new ATOM 0 HA THR A 78 3.241 2.084 -5.583 1.00 0.00 H new ATOM 0 HB THR A 78 1.174 3.563 -7.258 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.472 2.688 -9.003 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.086 4.838 -8.156 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.877 5.108 -6.409 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.165 4.029 -6.996 1.00 0.00 H new ATOM 1155 N CYS A 79 2.888 3.607 -3.649 1.00 0.00 N ATOM 1156 CA CYS A 79 2.767 4.563 -2.556 1.00 0.00 C ATOM 1157 C CYS A 79 3.398 5.901 -2.931 1.00 0.00 C ATOM 1158 O CYS A 79 4.621 6.044 -2.932 1.00 0.00 O ATOM 1159 CB CYS A 79 3.429 4.011 -1.292 1.00 0.00 C ATOM 1160 SG CYS A 79 2.861 4.798 0.250 1.00 0.00 S ATOM 0 H CYS A 79 3.695 2.988 -3.580 1.00 0.00 H new ATOM 0 HA CYS A 79 1.706 4.723 -2.362 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.237 2.940 -1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.508 4.137 -1.375 1.00 0.00 H new ATOM 1165 N VAL A 80 2.556 6.879 -3.248 1.00 0.00 N ATOM 1166 CA VAL A 80 3.030 8.205 -3.623 1.00 0.00 C ATOM 1167 C VAL A 80 2.589 9.254 -2.609 1.00 0.00 C ATOM 1168 O VAL A 80 1.434 9.274 -2.184 1.00 0.00 O ATOM 1169 CB VAL A 80 2.519 8.610 -5.019 1.00 0.00 C ATOM 1170 CG1 VAL A 80 1.052 8.242 -5.178 1.00 0.00 C ATOM 1171 CG2 VAL A 80 2.733 10.098 -5.253 1.00 0.00 C ATOM 0 H VAL A 80 1.541 6.777 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 80 4.119 8.158 -3.642 1.00 0.00 H new ATOM 0 HB VAL A 80 3.089 8.062 -5.769 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.709 8.536 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.932 7.166 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.463 8.761 -4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.366 10.367 -6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.190 10.667 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.796 10.328 -5.185 1.00 0.00 H new ATOM 1181 N ALA A 81 3.517 10.125 -2.224 1.00 0.00 N ATOM 1182 CA ALA A 81 3.223 11.179 -1.261 1.00 0.00 C ATOM 1183 C ALA A 81 3.350 12.557 -1.900 1.00 0.00 C ATOM 1184 O ALA A 81 4.448 12.993 -2.249 1.00 0.00 O ATOM 1185 CB ALA A 81 4.147 11.066 -0.058 1.00 0.00 C ATOM 0 H ALA A 81 4.478 10.121 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 81 2.193 11.056 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.917 11.859 0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.005 10.097 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.183 11.161 -0.384 1.00 0.00 H new ATOM 1191 N THR A 82 2.220 13.241 -2.052 1.00 0.00 N ATOM 1192 CA THR A 82 2.205 14.569 -2.651 1.00 0.00 C ATOM 1193 C THR A 82 2.164 15.654 -1.581 1.00 0.00 C ATOM 1194 O THR A 82 1.555 15.477 -0.527 1.00 0.00 O ATOM 1195 CB THR A 82 0.999 14.747 -3.593 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.801 13.558 -4.365 1.00 0.00 O ATOM 1197 CG2 THR A 82 1.208 15.933 -4.523 1.00 0.00 C ATOM 0 H THR A 82 1.303 12.896 -1.768 1.00 0.00 H new ATOM 0 HA THR A 82 3.125 14.666 -3.228 1.00 0.00 H new ATOM 0 HB THR A 82 0.115 14.935 -2.984 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.032 13.679 -4.960 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.343 16.038 -5.178 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.329 16.841 -3.933 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.102 15.770 -5.125 1.00 0.00 H new ATOM 1205 N SER A 83 2.816 16.778 -1.860 1.00 0.00 N ATOM 1206 CA SER A 83 2.857 17.892 -0.919 1.00 0.00 C ATOM 1207 C SER A 83 3.226 19.190 -1.630 1.00 0.00 C ATOM 1208 O SER A 83 3.420 19.212 -2.845 1.00 0.00 O ATOM 1209 CB SER A 83 3.861 17.606 0.199 1.00 0.00 C ATOM 1210 OG SER A 83 5.140 17.302 -0.330 1.00 0.00 O ATOM 0 H SER A 83 3.323 16.942 -2.730 1.00 0.00 H new ATOM 0 HA SER A 83 1.864 18.006 -0.485 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.933 18.471 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.507 16.772 0.805 1.00 0.00 H new ATOM 0 HG SER A 83 5.720 16.971 0.387 1.00 0.00 H new ATOM 1216 N SER A 84 3.321 20.271 -0.862 1.00 0.00 N ATOM 1217 CA SER A 84 3.663 21.576 -1.418 1.00 0.00 C ATOM 1218 C SER A 84 5.139 21.633 -1.800 1.00 0.00 C ATOM 1219 O SER A 84 5.551 22.472 -2.601 1.00 0.00 O ATOM 1220 CB SER A 84 3.341 22.682 -0.411 1.00 0.00 C ATOM 1221 OG SER A 84 1.960 22.999 -0.425 1.00 0.00 O ATOM 0 H SER A 84 3.166 20.269 0.146 1.00 0.00 H new ATOM 0 HA SER A 84 3.067 21.729 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.634 22.364 0.589 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.924 23.573 -0.646 1.00 0.00 H new ATOM 0 HG SER A 84 1.780 23.707 0.228 1.00 0.00 H new ATOM 1227 N SER A 85 5.929 20.735 -1.221 1.00 0.00 N ATOM 1228 CA SER A 85 7.360 20.685 -1.497 1.00 0.00 C ATOM 1229 C SER A 85 7.635 19.956 -2.809 1.00 0.00 C ATOM 1230 O SER A 85 8.296 20.487 -3.700 1.00 0.00 O ATOM 1231 CB SER A 85 8.098 19.991 -0.351 1.00 0.00 C ATOM 1232 OG SER A 85 8.060 20.774 0.829 1.00 0.00 O ATOM 0 H SER A 85 5.603 20.032 -0.558 1.00 0.00 H new ATOM 0 HA SER A 85 7.724 21.709 -1.587 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.646 19.018 -0.160 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.134 19.810 -0.638 1.00 0.00 H new ATOM 0 HG SER A 85 7.433 20.374 1.467 1.00 0.00 H new ATOM 1238 N GLY A 86 7.121 18.735 -2.920 1.00 0.00 N ATOM 1239 CA GLY A 86 7.322 17.952 -4.125 1.00 0.00 C ATOM 1240 C GLY A 86 6.456 16.709 -4.160 1.00 0.00 C ATOM 1241 O GLY A 86 5.267 16.764 -3.848 1.00 0.00 O ATOM 0 H GLY A 86 6.569 18.274 -2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.102 18.569 -4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.370 17.663 -4.196 1.00 0.00 H new ATOM 1245 N GLU A 87 7.053 15.584 -4.542 1.00 0.00 N ATOM 1246 CA GLU A 87 6.327 14.322 -4.618 1.00 0.00 C ATOM 1247 C GLU A 87 7.288 13.151 -4.797 1.00 0.00 C ATOM 1248 O GLU A 87 8.354 13.293 -5.396 1.00 0.00 O ATOM 1249 CB GLU A 87 5.324 14.354 -5.774 1.00 0.00 C ATOM 1250 CG GLU A 87 4.840 12.978 -6.198 1.00 0.00 C ATOM 1251 CD GLU A 87 3.988 13.020 -7.452 1.00 0.00 C ATOM 1252 OE1 GLU A 87 4.414 13.658 -8.437 1.00 0.00 O ATOM 1253 OE2 GLU A 87 2.896 12.415 -7.448 1.00 0.00 O ATOM 0 H GLU A 87 8.037 15.521 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 87 5.787 14.186 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.465 14.958 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.784 14.848 -6.630 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.700 12.331 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.264 12.534 -5.386 1.00 0.00 H new ATOM 1260 N THR A 88 6.903 11.991 -4.272 1.00 0.00 N ATOM 1261 CA THR A 88 7.731 10.796 -4.370 1.00 0.00 C ATOM 1262 C THR A 88 6.873 9.537 -4.425 1.00 0.00 C ATOM 1263 O THR A 88 5.979 9.347 -3.600 1.00 0.00 O ATOM 1264 CB THR A 88 8.706 10.687 -3.183 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.790 9.813 -3.518 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.994 10.168 -1.943 1.00 0.00 C ATOM 0 H THR A 88 6.023 11.855 -3.775 1.00 0.00 H new ATOM 0 HA THR A 88 8.304 10.884 -5.293 1.00 0.00 H new ATOM 0 HB THR A 88 9.095 11.682 -2.969 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.406 9.750 -2.759 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.703 10.100 -1.118 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.188 10.851 -1.673 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.579 9.181 -2.148 1.00 0.00 H new ATOM 1274 N SER A 89 7.151 8.679 -5.402 1.00 0.00 N ATOM 1275 CA SER A 89 6.402 7.438 -5.565 1.00 0.00 C ATOM 1276 C SER A 89 7.248 6.235 -5.162 1.00 0.00 C ATOM 1277 O SER A 89 8.473 6.326 -5.073 1.00 0.00 O ATOM 1278 CB SER A 89 5.937 7.286 -7.015 1.00 0.00 C ATOM 1279 OG SER A 89 7.036 7.071 -7.883 1.00 0.00 O ATOM 0 H SER A 89 7.889 8.820 -6.092 1.00 0.00 H new ATOM 0 HA SER A 89 5.530 7.481 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.241 6.451 -7.091 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.396 8.181 -7.323 1.00 0.00 H new ATOM 0 HG SER A 89 6.712 6.975 -8.803 1.00 0.00 H new ATOM 1285 N TRP A 90 6.587 5.109 -4.919 1.00 0.00 N ATOM 1286 CA TRP A 90 7.278 3.887 -4.524 1.00 0.00 C ATOM 1287 C TRP A 90 6.828 2.707 -5.379 1.00 0.00 C ATOM 1288 O TRP A 90 5.941 2.842 -6.222 1.00 0.00 O ATOM 1289 CB TRP A 90 7.025 3.588 -3.046 1.00 0.00 C ATOM 1290 CG TRP A 90 8.146 2.839 -2.391 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.233 1.488 -2.209 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.338 3.399 -1.830 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.408 1.175 -1.568 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.104 2.330 -1.326 1.00 0.00 C ATOM 1295 CE3 TRP A 90 9.834 4.700 -1.706 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.336 2.524 -0.708 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.058 4.890 -1.092 1.00 0.00 C ATOM 1298 CH2 TRP A 90 11.798 3.807 -0.600 1.00 0.00 C ATOM 0 H TRP A 90 5.574 5.017 -4.989 1.00 0.00 H new ATOM 0 HA TRP A 90 8.346 4.037 -4.679 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.866 4.526 -2.515 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.107 3.009 -2.952 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.488 0.771 -2.523 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.712 0.235 -1.314 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.271 5.541 -2.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.907 1.690 -0.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.451 5.891 -0.990 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.751 3.989 -0.126 1.00 0.00 H new ATOM 1309 N SER A 91 7.444 1.551 -5.155 1.00 0.00 N ATOM 1310 CA SER A 91 7.108 0.348 -5.908 1.00 0.00 C ATOM 1311 C SER A 91 6.855 -0.828 -4.968 1.00 0.00 C ATOM 1312 O SER A 91 7.523 -0.974 -3.945 1.00 0.00 O ATOM 1313 CB SER A 91 8.232 0.001 -6.885 1.00 0.00 C ATOM 1314 OG SER A 91 9.448 -0.241 -6.198 1.00 0.00 O ATOM 0 H SER A 91 8.178 1.422 -4.459 1.00 0.00 H new ATOM 0 HA SER A 91 6.195 0.545 -6.471 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.956 -0.880 -7.464 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.367 0.818 -7.594 1.00 0.00 H new ATOM 0 HG SER A 91 10.150 -0.462 -6.844 1.00 0.00 H new ATOM 1320 N ALA A 92 5.885 -1.664 -5.325 1.00 0.00 N ATOM 1321 CA ALA A 92 5.544 -2.827 -4.516 1.00 0.00 C ATOM 1322 C ALA A 92 4.527 -3.712 -5.228 1.00 0.00 C ATOM 1323 O ALA A 92 3.729 -3.233 -6.035 1.00 0.00 O ATOM 1324 CB ALA A 92 5.009 -2.390 -3.160 1.00 0.00 C ATOM 0 H ALA A 92 5.322 -1.557 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 92 6.452 -3.411 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.759 -3.270 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.769 -1.806 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.116 -1.781 -3.300 1.00 0.00 H new ATOM 1330 N VAL A 93 4.559 -5.006 -4.925 1.00 0.00 N ATOM 1331 CA VAL A 93 3.639 -5.958 -5.537 1.00 0.00 C ATOM 1332 C VAL A 93 3.169 -6.996 -4.524 1.00 0.00 C ATOM 1333 O VAL A 93 3.972 -7.559 -3.778 1.00 0.00 O ATOM 1334 CB VAL A 93 4.291 -6.680 -6.731 1.00 0.00 C ATOM 1335 CG1 VAL A 93 5.505 -7.476 -6.276 1.00 0.00 C ATOM 1336 CG2 VAL A 93 3.280 -7.582 -7.423 1.00 0.00 C ATOM 0 H VAL A 93 5.212 -5.419 -4.259 1.00 0.00 H new ATOM 0 HA VAL A 93 2.781 -5.387 -5.892 1.00 0.00 H new ATOM 0 HB VAL A 93 4.627 -5.931 -7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.952 -7.979 -7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.236 -6.802 -5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.198 -8.218 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.757 -8.085 -8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.913 -8.326 -6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.445 -6.982 -7.785 1.00 0.00 H new ATOM 1346 N LEU A 94 1.865 -7.244 -4.502 1.00 0.00 N ATOM 1347 CA LEU A 94 1.286 -8.216 -3.581 1.00 0.00 C ATOM 1348 C LEU A 94 0.930 -9.510 -4.306 1.00 0.00 C ATOM 1349 O LEU A 94 -0.042 -9.562 -5.061 1.00 0.00 O ATOM 1350 CB LEU A 94 0.041 -7.634 -2.910 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.820 -8.621 -2.121 1.00 0.00 C ATOM 1352 CD1 LEU A 94 -0.071 -9.120 -0.895 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -2.137 -7.975 -1.717 1.00 0.00 C ATOM 0 H LEU A 94 1.188 -6.786 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 94 2.030 -8.443 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.355 -6.837 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.580 -7.175 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.039 -9.476 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.699 -9.821 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.845 -9.621 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.178 -8.276 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.737 -8.692 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.938 -7.103 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.680 -7.667 -2.610 1.00 0.00 H new ATOM 1365 N ASP A 95 1.720 -10.551 -4.071 1.00 0.00 N ATOM 1366 CA ASP A 95 1.486 -11.846 -4.700 1.00 0.00 C ATOM 1367 C ASP A 95 0.564 -12.708 -3.842 1.00 0.00 C ATOM 1368 O ASP A 95 0.985 -13.266 -2.829 1.00 0.00 O ATOM 1369 CB ASP A 95 2.812 -12.571 -4.932 1.00 0.00 C ATOM 1370 CG ASP A 95 2.770 -13.480 -6.145 1.00 0.00 C ATOM 1371 OD1 ASP A 95 2.583 -12.964 -7.267 1.00 0.00 O ATOM 1372 OD2 ASP A 95 2.926 -14.707 -5.972 1.00 0.00 O ATOM 0 H ASP A 95 2.528 -10.524 -3.449 1.00 0.00 H new ATOM 0 HA ASP A 95 1.002 -11.673 -5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.607 -11.836 -5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.060 -13.160 -4.049 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.695 -12.810 -4.255 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.677 -13.604 -3.525 1.00 0.00 C ATOM 1379 C VAL A 96 -1.879 -14.966 -4.179 1.00 0.00 C ATOM 1380 O VAL A 96 -2.298 -15.057 -5.334 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.034 -12.880 -3.442 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.043 -13.724 -2.679 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -2.870 -11.514 -2.792 1.00 0.00 C ATOM 0 H VAL A 96 -1.059 -12.353 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.285 -13.743 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.410 -12.733 -4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.996 -13.197 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.181 -14.677 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.676 -13.905 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.839 -11.016 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.472 -11.636 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.182 -10.910 -3.384 1.00 0.00 H new ATOM 1393 N THR A 97 -1.578 -16.025 -3.434 1.00 0.00 N ATOM 1394 CA THR A 97 -1.726 -17.383 -3.941 1.00 0.00 C ATOM 1395 C THR A 97 -2.753 -18.164 -3.130 1.00 0.00 C ATOM 1396 O THR A 97 -3.158 -17.738 -2.049 1.00 0.00 O ATOM 1397 CB THR A 97 -0.385 -18.141 -3.916 1.00 0.00 C ATOM 1398 OG1 THR A 97 0.041 -18.338 -2.563 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.683 -17.378 -4.684 1.00 0.00 C ATOM 0 H THR A 97 -1.230 -15.968 -2.477 1.00 0.00 H new ATOM 0 HA THR A 97 -2.069 -17.300 -4.972 1.00 0.00 H new ATOM 0 HB THR A 97 -0.531 -19.109 -4.395 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.595 -17.580 -2.281 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.621 -17.933 -4.652 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.369 -17.256 -5.721 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.826 -16.397 -4.231 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.171 -19.310 -3.659 1.00 0.00 N ATOM 1408 CA GLU A 98 -4.152 -20.150 -2.982 1.00 0.00 C ATOM 1409 C GLU A 98 -3.527 -20.860 -1.784 1.00 0.00 C ATOM 1410 O GLU A 98 -4.179 -21.062 -0.760 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.731 -21.181 -3.954 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.628 -20.575 -5.020 1.00 0.00 C ATOM 1413 CD GLU A 98 -6.456 -21.617 -5.747 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -7.387 -22.172 -5.128 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -6.172 -21.878 -6.935 1.00 0.00 O ATOM 0 H GLU A 98 -2.846 -19.677 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.956 -19.507 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.911 -21.711 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.299 -21.921 -3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.293 -19.845 -4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.015 -20.035 -5.742 1.00 0.00 H new ATOM 1422 N SER A 99 -2.260 -21.236 -1.922 1.00 0.00 N ATOM 1423 CA SER A 99 -1.547 -21.927 -0.853 1.00 0.00 C ATOM 1424 C SER A 99 -0.365 -21.096 -0.363 1.00 0.00 C ATOM 1425 O SER A 99 0.701 -21.630 -0.061 1.00 0.00 O ATOM 1426 CB SER A 99 -1.059 -23.293 -1.338 1.00 0.00 C ATOM 1427 OG SER A 99 -2.052 -24.286 -1.151 1.00 0.00 O ATOM 0 H SER A 99 -1.706 -21.074 -2.763 1.00 0.00 H new ATOM 0 HA SER A 99 -2.237 -22.070 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.794 -23.234 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.155 -23.572 -0.797 1.00 0.00 H new ATOM 0 HG SER A 99 -1.716 -25.149 -1.471 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.564 -19.783 -0.286 1.00 0.00 N ATOM 1434 CA GLY A 100 0.493 -18.899 0.167 1.00 0.00 C ATOM 1435 C GLY A 100 1.833 -19.224 -0.463 1.00 0.00 C ATOM 1436 O GLY A 100 2.758 -18.413 -0.425 1.00 0.00 O ATOM 0 H GLY A 100 -1.438 -19.317 -0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.226 -17.869 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.579 -18.967 1.251 1.00 0.00 H new