USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 404 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 17 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 20 GLN : amide:sc= -0.189 K(o=-0.19,f=-2!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.84 K(o=-1.8,f=-9.2!) USER MOD Single : A 28 SER OG : rot 52:sc= 1.19 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0323 X(o=-0.032,f=-0.46) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 10 1.742 8.662 -1.205 1.00 0.00 N ATOM 94 CA GLU A 10 1.523 7.709 -2.287 1.00 0.00 C ATOM 95 C GLU A 10 1.898 6.296 -1.851 1.00 0.00 C ATOM 96 O GLU A 10 2.883 6.094 -1.141 1.00 0.00 O ATOM 97 CB GLU A 10 2.339 8.107 -3.519 1.00 0.00 C ATOM 98 CG GLU A 10 1.622 9.086 -4.433 1.00 0.00 C ATOM 99 CD GLU A 10 2.460 9.485 -5.632 1.00 0.00 C ATOM 100 OE1 GLU A 10 3.693 9.609 -5.480 1.00 0.00 O ATOM 101 OE2 GLU A 10 1.882 9.674 -6.723 1.00 0.00 O ATOM 0 HA GLU A 10 0.463 7.723 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.280 8.550 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.588 7.209 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.690 8.639 -4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.357 9.979 -3.867 1.00 0.00 H new ATOM 108 N TYR A 11 1.104 5.321 -2.279 1.00 0.00 N ATOM 109 CA TYR A 11 1.349 3.926 -1.931 1.00 0.00 C ATOM 110 C TYR A 11 1.379 3.050 -3.180 1.00 0.00 C ATOM 111 O TYR A 11 0.605 3.256 -4.115 1.00 0.00 O ATOM 112 CB TYR A 11 0.273 3.423 -0.967 1.00 0.00 C ATOM 113 CG TYR A 11 0.581 3.709 0.486 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.260 4.934 1.056 1.00 0.00 C ATOM 115 CD2 TYR A 11 1.191 2.753 1.288 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.539 5.200 2.383 1.00 0.00 C ATOM 117 CE2 TYR A 11 1.473 3.009 2.616 1.00 0.00 C ATOM 118 CZ TYR A 11 1.146 4.234 3.158 1.00 0.00 C ATOM 119 OH TYR A 11 1.425 4.494 4.481 1.00 0.00 O ATOM 0 H TYR A 11 0.285 5.471 -2.868 1.00 0.00 H new ATOM 0 HA TYR A 11 2.322 3.865 -1.443 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.680 3.885 -1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.152 2.348 -1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.216 5.692 0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.449 1.793 0.866 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.283 6.158 2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.947 2.254 3.226 1.00 0.00 H new ATOM 0 HH TYR A 11 1.852 3.710 4.886 1.00 0.00 H new ATOM 129 N ARG A 12 2.278 2.071 -3.186 1.00 0.00 N ATOM 130 CA ARG A 12 2.411 1.163 -4.319 1.00 0.00 C ATOM 131 C ARG A 12 1.840 -0.211 -3.983 1.00 0.00 C ATOM 132 O ARG A 12 1.978 -0.694 -2.860 1.00 0.00 O ATOM 133 CB ARG A 12 3.880 1.032 -4.725 1.00 0.00 C ATOM 134 CG ARG A 12 4.079 0.403 -6.095 1.00 0.00 C ATOM 135 CD ARG A 12 5.541 0.423 -6.510 1.00 0.00 C ATOM 136 NE ARG A 12 6.339 -0.539 -5.754 1.00 0.00 N ATOM 137 CZ ARG A 12 7.658 -0.650 -5.867 1.00 0.00 C ATOM 138 NH1 ARG A 12 8.324 0.138 -6.699 1.00 0.00 N ATOM 139 NH2 ARG A 12 8.313 -1.551 -5.145 1.00 0.00 N ATOM 0 H ARG A 12 2.925 1.886 -2.419 1.00 0.00 H new ATOM 0 HA ARG A 12 1.847 1.578 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.340 2.020 -4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.402 0.432 -3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.718 -0.625 -6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.483 0.940 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.619 0.201 -7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.946 1.424 -6.363 1.00 0.00 H new ATOM 0 HE ARG A 12 5.857 -1.160 -5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.824 0.832 -7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.337 0.051 -6.784 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.804 -2.158 -4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.326 -1.636 -5.232 1.00 0.00 H new ATOM 153 N ALA A 13 1.198 -0.836 -4.965 1.00 0.00 N ATOM 154 CA ALA A 13 0.607 -2.155 -4.775 1.00 0.00 C ATOM 155 C ALA A 13 1.671 -3.246 -4.834 1.00 0.00 C ATOM 156 O ALA A 13 2.728 -3.065 -5.440 1.00 0.00 O ATOM 157 CB ALA A 13 -0.469 -2.407 -5.820 1.00 0.00 C ATOM 0 H ALA A 13 1.074 -0.450 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 13 0.150 -2.182 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.901 -3.396 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.249 -1.651 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.029 -2.355 -6.816 1.00 0.00 H new ATOM 163 N LEU A 14 1.385 -4.379 -4.202 1.00 0.00 N ATOM 164 CA LEU A 14 2.318 -5.500 -4.182 1.00 0.00 C ATOM 165 C LEU A 14 1.716 -6.721 -4.871 1.00 0.00 C ATOM 166 O LEU A 14 2.417 -7.471 -5.550 1.00 0.00 O ATOM 167 CB LEU A 14 2.697 -5.848 -2.742 1.00 0.00 C ATOM 168 CG LEU A 14 3.446 -4.765 -1.964 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.504 -5.114 -0.485 1.00 0.00 C ATOM 170 CD2 LEU A 14 4.847 -4.577 -2.526 1.00 0.00 C ATOM 0 H LEU A 14 0.515 -4.546 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 14 3.215 -5.204 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.786 -6.094 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.312 -6.748 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 14 2.904 -3.825 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.041 -4.332 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.491 -5.196 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.022 -6.064 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.365 -3.803 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.399 -5.514 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.782 -4.280 -3.573 1.00 0.00 H new ATOM 182 N TYR A 15 0.414 -6.912 -4.693 1.00 0.00 N ATOM 183 CA TYR A 15 -0.282 -8.042 -5.297 1.00 0.00 C ATOM 184 C TYR A 15 -1.594 -7.595 -5.935 1.00 0.00 C ATOM 185 O TYR A 15 -2.374 -6.861 -5.328 1.00 0.00 O ATOM 186 CB TYR A 15 -0.554 -9.121 -4.248 1.00 0.00 C ATOM 187 CG TYR A 15 0.583 -9.315 -3.271 1.00 0.00 C ATOM 188 CD1 TYR A 15 0.792 -8.419 -2.230 1.00 0.00 C ATOM 189 CD2 TYR A 15 1.450 -10.395 -3.389 1.00 0.00 C ATOM 190 CE1 TYR A 15 1.831 -8.592 -1.335 1.00 0.00 C ATOM 191 CE2 TYR A 15 2.490 -10.577 -2.498 1.00 0.00 C ATOM 192 CZ TYR A 15 2.676 -9.673 -1.473 1.00 0.00 C ATOM 193 OH TYR A 15 3.712 -9.850 -0.585 1.00 0.00 O ATOM 0 H TYR A 15 -0.181 -6.299 -4.135 1.00 0.00 H new ATOM 0 HA TYR A 15 0.358 -8.456 -6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.456 -8.859 -3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.753 -10.066 -4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.131 -7.572 -2.118 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.308 -11.104 -4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.980 -7.885 -0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.154 -11.422 -2.603 1.00 0.00 H new ATOM 0 HH TYR A 15 4.211 -10.659 -0.822 1.00 0.00 H new ATOM 203 N ASP A 16 -1.830 -8.044 -7.163 1.00 0.00 N ATOM 204 CA ASP A 16 -3.048 -7.693 -7.885 1.00 0.00 C ATOM 205 C ASP A 16 -4.282 -8.213 -7.153 1.00 0.00 C ATOM 206 O ASP A 16 -4.394 -9.407 -6.874 1.00 0.00 O ATOM 207 CB ASP A 16 -3.005 -8.259 -9.305 1.00 0.00 C ATOM 208 CG ASP A 16 -4.390 -8.453 -9.892 1.00 0.00 C ATOM 209 OD1 ASP A 16 -5.044 -7.440 -10.217 1.00 0.00 O ATOM 210 OD2 ASP A 16 -4.818 -9.618 -10.028 1.00 0.00 O ATOM 0 H ASP A 16 -1.194 -8.652 -7.679 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.110 -6.606 -7.938 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.433 -7.586 -9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.480 -9.214 -9.297 1.00 0.00 H new ATOM 215 N TYR A 17 -5.204 -7.308 -6.844 1.00 0.00 N ATOM 216 CA TYR A 17 -6.428 -7.674 -6.142 1.00 0.00 C ATOM 217 C TYR A 17 -7.634 -7.600 -7.074 1.00 0.00 C ATOM 218 O TYR A 17 -7.564 -7.015 -8.156 1.00 0.00 O ATOM 219 CB TYR A 17 -6.644 -6.757 -4.937 1.00 0.00 C ATOM 220 CG TYR A 17 -7.766 -7.205 -4.028 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.592 -8.265 -3.147 1.00 0.00 C ATOM 222 CD2 TYR A 17 -9.000 -6.567 -4.050 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.615 -8.678 -2.316 1.00 0.00 C ATOM 224 CE2 TYR A 17 -10.028 -6.972 -3.221 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.831 -8.028 -2.356 1.00 0.00 C ATOM 226 OH TYR A 17 -10.852 -8.436 -1.528 1.00 0.00 O ATOM 0 H TYR A 17 -5.127 -6.316 -7.069 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.323 -8.702 -5.794 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.720 -6.704 -4.361 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.856 -5.749 -5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.641 -8.775 -3.111 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.158 -5.740 -4.727 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.464 -9.505 -1.639 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.981 -6.464 -3.250 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.640 -7.874 -1.679 1.00 0.00 H new ATOM 236 N THR A 18 -8.743 -8.196 -6.646 1.00 0.00 N ATOM 237 CA THR A 18 -9.965 -8.198 -7.440 1.00 0.00 C ATOM 238 C THR A 18 -11.176 -7.842 -6.586 1.00 0.00 C ATOM 239 O THR A 18 -11.512 -8.554 -5.641 1.00 0.00 O ATOM 240 CB THR A 18 -10.203 -9.570 -8.100 1.00 0.00 C ATOM 241 OG1 THR A 18 -9.079 -9.922 -8.915 1.00 0.00 O ATOM 242 CG2 THR A 18 -11.464 -9.549 -8.950 1.00 0.00 C ATOM 0 H THR A 18 -8.819 -8.684 -5.753 1.00 0.00 H new ATOM 0 HA THR A 18 -9.838 -7.445 -8.218 1.00 0.00 H new ATOM 0 HB THR A 18 -10.327 -10.312 -7.311 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.237 -10.796 -9.330 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.612 -10.528 -9.406 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.322 -9.308 -8.322 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.363 -8.796 -9.732 1.00 0.00 H new ATOM 250 N ALA A 19 -11.828 -6.735 -6.926 1.00 0.00 N ATOM 251 CA ALA A 19 -13.004 -6.285 -6.191 1.00 0.00 C ATOM 252 C ALA A 19 -14.233 -7.105 -6.568 1.00 0.00 C ATOM 253 O ALA A 19 -14.779 -6.956 -7.661 1.00 0.00 O ATOM 254 CB ALA A 19 -13.255 -4.807 -6.450 1.00 0.00 C ATOM 0 H ALA A 19 -11.562 -6.133 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.814 -6.429 -5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.136 -4.485 -5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.390 -4.229 -6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.419 -4.647 -7.516 1.00 0.00 H new ATOM 260 N GLN A 20 -14.663 -7.972 -5.656 1.00 0.00 N ATOM 261 CA GLN A 20 -15.827 -8.817 -5.895 1.00 0.00 C ATOM 262 C GLN A 20 -17.074 -7.972 -6.128 1.00 0.00 C ATOM 263 O GLN A 20 -17.850 -8.233 -7.046 1.00 0.00 O ATOM 264 CB GLN A 20 -16.050 -9.760 -4.711 1.00 0.00 C ATOM 265 CG GLN A 20 -15.082 -10.933 -4.677 1.00 0.00 C ATOM 266 CD GLN A 20 -13.747 -10.570 -4.058 1.00 0.00 C ATOM 267 OE1 GLN A 20 -13.670 -9.706 -3.184 1.00 0.00 O ATOM 268 NE2 GLN A 20 -12.687 -11.230 -4.508 1.00 0.00 N ATOM 0 H GLN A 20 -14.223 -8.107 -4.746 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.638 -9.408 -6.791 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.955 -9.195 -3.784 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.070 -10.142 -4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.529 -11.752 -4.113 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.921 -11.296 -5.692 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.797 -11.938 -5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.762 -11.029 -4.128 1.00 0.00 H new ATOM 277 N ASN A 21 -17.261 -6.957 -5.290 1.00 0.00 N ATOM 278 CA ASN A 21 -18.415 -6.073 -5.405 1.00 0.00 C ATOM 279 C ASN A 21 -18.028 -4.756 -6.070 1.00 0.00 C ATOM 280 O ASN A 21 -16.860 -4.369 -6.104 1.00 0.00 O ATOM 281 CB ASN A 21 -19.016 -5.802 -4.024 1.00 0.00 C ATOM 282 CG ASN A 21 -17.960 -5.738 -2.937 1.00 0.00 C ATOM 283 OD1 ASN A 21 -17.218 -4.761 -2.834 1.00 0.00 O ATOM 284 ND2 ASN A 21 -17.888 -6.782 -2.119 1.00 0.00 N ATOM 0 H ASN A 21 -16.628 -6.727 -4.524 1.00 0.00 H new ATOM 0 HA ASN A 21 -19.160 -6.569 -6.028 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -19.566 -4.861 -4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -19.735 -6.585 -3.783 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -17.197 -6.795 -1.369 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -18.523 -7.570 -2.241 1.00 0.00 H new ATOM 291 N PRO A 22 -19.031 -4.050 -6.613 1.00 0.00 N ATOM 292 CA PRO A 22 -18.821 -2.766 -7.287 1.00 0.00 C ATOM 293 C PRO A 22 -18.437 -1.657 -6.314 1.00 0.00 C ATOM 294 O PRO A 22 -18.259 -0.504 -6.710 1.00 0.00 O ATOM 295 CB PRO A 22 -20.182 -2.472 -7.923 1.00 0.00 C ATOM 296 CG PRO A 22 -21.162 -3.215 -7.082 1.00 0.00 C ATOM 297 CD PRO A 22 -20.448 -4.452 -6.611 1.00 0.00 C ATOM 0 HA PRO A 22 -18.001 -2.811 -8.004 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.394 -1.403 -7.927 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.215 -2.808 -8.960 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -21.491 -2.609 -6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -22.052 -3.473 -7.655 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -20.779 -4.753 -5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -20.627 -5.297 -7.276 1.00 0.00 H new ATOM 305 N ASP A 23 -18.311 -2.012 -5.040 1.00 0.00 N ATOM 306 CA ASP A 23 -17.946 -1.046 -4.010 1.00 0.00 C ATOM 307 C ASP A 23 -16.431 -0.969 -3.849 1.00 0.00 C ATOM 308 O ASP A 23 -15.856 0.118 -3.814 1.00 0.00 O ATOM 309 CB ASP A 23 -18.595 -1.421 -2.676 1.00 0.00 C ATOM 310 CG ASP A 23 -20.056 -1.795 -2.829 1.00 0.00 C ATOM 311 OD1 ASP A 23 -20.910 -0.885 -2.777 1.00 0.00 O ATOM 312 OD2 ASP A 23 -20.346 -2.998 -2.999 1.00 0.00 O ATOM 0 H ASP A 23 -18.456 -2.961 -4.696 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.310 -0.067 -4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -18.053 -2.257 -2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.508 -0.583 -1.984 1.00 0.00 H new ATOM 317 N GLU A 24 -15.792 -2.131 -3.749 1.00 0.00 N ATOM 318 CA GLU A 24 -14.344 -2.194 -3.590 1.00 0.00 C ATOM 319 C GLU A 24 -13.637 -1.872 -4.903 1.00 0.00 C ATOM 320 O GLU A 24 -14.280 -1.577 -5.911 1.00 0.00 O ATOM 321 CB GLU A 24 -13.923 -3.581 -3.098 1.00 0.00 C ATOM 322 CG GLU A 24 -14.649 -4.026 -1.839 1.00 0.00 C ATOM 323 CD GLU A 24 -13.935 -3.600 -0.572 1.00 0.00 C ATOM 324 OE1 GLU A 24 -12.707 -3.809 -0.482 1.00 0.00 O ATOM 325 OE2 GLU A 24 -14.605 -3.056 0.331 1.00 0.00 O ATOM 0 H GLU A 24 -16.254 -3.040 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 24 -14.053 -1.449 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.105 -4.309 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.850 -3.579 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.657 -3.612 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.750 -5.111 -1.847 1.00 0.00 H new ATOM 332 N LEU A 25 -12.310 -1.930 -4.884 1.00 0.00 N ATOM 333 CA LEU A 25 -11.514 -1.645 -6.072 1.00 0.00 C ATOM 334 C LEU A 25 -10.388 -2.662 -6.231 1.00 0.00 C ATOM 335 O LEU A 25 -9.878 -3.196 -5.246 1.00 0.00 O ATOM 336 CB LEU A 25 -10.934 -0.232 -5.994 1.00 0.00 C ATOM 337 CG LEU A 25 -11.802 0.884 -6.576 1.00 0.00 C ATOM 338 CD1 LEU A 25 -11.103 2.228 -6.447 1.00 0.00 C ATOM 339 CD2 LEU A 25 -12.139 0.594 -8.031 1.00 0.00 C ATOM 0 H LEU A 25 -11.762 -2.172 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.167 -1.716 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.734 -0.001 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.975 -0.226 -6.511 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.732 0.926 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.737 3.009 -6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.914 2.440 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.157 2.199 -6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.757 1.399 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.219 0.523 -8.611 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.683 -0.348 -8.098 1.00 0.00 H new ATOM 351 N ASP A 26 -10.005 -2.922 -7.476 1.00 0.00 N ATOM 352 CA ASP A 26 -8.936 -3.872 -7.764 1.00 0.00 C ATOM 353 C ASP A 26 -7.576 -3.182 -7.745 1.00 0.00 C ATOM 354 O ASP A 26 -7.446 -2.030 -8.162 1.00 0.00 O ATOM 355 CB ASP A 26 -9.167 -4.536 -9.122 1.00 0.00 C ATOM 356 CG ASP A 26 -9.299 -3.526 -10.245 1.00 0.00 C ATOM 357 OD1 ASP A 26 -8.284 -2.885 -10.588 1.00 0.00 O ATOM 358 OD2 ASP A 26 -10.418 -3.375 -10.780 1.00 0.00 O ATOM 0 H ASP A 26 -10.418 -2.489 -8.302 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.945 -4.638 -6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.339 -5.210 -9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.070 -5.145 -9.077 1.00 0.00 H new ATOM 363 N LEU A 27 -6.564 -3.893 -7.259 1.00 0.00 N ATOM 364 CA LEU A 27 -5.213 -3.349 -7.185 1.00 0.00 C ATOM 365 C LEU A 27 -4.315 -3.975 -8.247 1.00 0.00 C ATOM 366 O LEU A 27 -4.762 -4.800 -9.044 1.00 0.00 O ATOM 367 CB LEU A 27 -4.621 -3.587 -5.794 1.00 0.00 C ATOM 368 CG LEU A 27 -5.198 -2.735 -4.664 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.843 -3.331 -3.311 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.696 -1.302 -4.766 1.00 0.00 C ATOM 0 H LEU A 27 -6.654 -4.847 -6.910 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.269 -2.276 -7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.759 -4.637 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.547 -3.410 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.284 -2.726 -4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.262 -2.711 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.253 -4.338 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.759 -3.372 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.117 -0.710 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.608 -1.292 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.002 -0.876 -5.721 1.00 0.00 H new ATOM 382 N SER A 28 -3.046 -3.579 -8.250 1.00 0.00 N ATOM 383 CA SER A 28 -2.085 -4.101 -9.214 1.00 0.00 C ATOM 384 C SER A 28 -0.671 -3.635 -8.879 1.00 0.00 C ATOM 385 O SER A 28 -0.376 -2.441 -8.909 1.00 0.00 O ATOM 386 CB SER A 28 -2.458 -3.656 -10.630 1.00 0.00 C ATOM 387 OG SER A 28 -3.329 -4.589 -11.245 1.00 0.00 O ATOM 0 H SER A 28 -2.660 -2.898 -7.596 1.00 0.00 H new ATOM 0 HA SER A 28 -2.112 -5.189 -9.163 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.936 -2.677 -10.593 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.555 -3.547 -11.230 1.00 0.00 H new ATOM 0 HG SER A 28 -4.088 -4.768 -10.652 1.00 0.00 H new ATOM 393 N ALA A 29 0.198 -4.588 -8.559 1.00 0.00 N ATOM 394 CA ALA A 29 1.581 -4.277 -8.219 1.00 0.00 C ATOM 395 C ALA A 29 2.164 -3.246 -9.180 1.00 0.00 C ATOM 396 O ALA A 29 2.215 -3.469 -10.389 1.00 0.00 O ATOM 397 CB ALA A 29 2.424 -5.544 -8.226 1.00 0.00 C ATOM 0 H ALA A 29 -0.031 -5.581 -8.528 1.00 0.00 H new ATOM 0 HA ALA A 29 1.596 -3.850 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.454 -5.297 -7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.028 -6.249 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.394 -5.995 -9.218 1.00 0.00 H new ATOM 403 N GLY A 30 2.603 -2.116 -8.634 1.00 0.00 N ATOM 404 CA GLY A 30 3.176 -1.068 -9.458 1.00 0.00 C ATOM 405 C GLY A 30 2.314 0.179 -9.491 1.00 0.00 C ATOM 406 O GLY A 30 2.827 1.297 -9.443 1.00 0.00 O ATOM 0 H GLY A 30 2.572 -1.908 -7.636 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.166 -0.812 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.310 -1.441 -10.474 1.00 0.00 H new ATOM 410 N ASP A 31 1.002 -0.012 -9.575 1.00 0.00 N ATOM 411 CA ASP A 31 0.068 1.106 -9.615 1.00 0.00 C ATOM 412 C ASP A 31 0.270 2.027 -8.416 1.00 0.00 C ATOM 413 O ASP A 31 0.346 1.569 -7.275 1.00 0.00 O ATOM 414 CB ASP A 31 -1.373 0.594 -9.643 1.00 0.00 C ATOM 415 CG ASP A 31 -1.865 0.326 -11.052 1.00 0.00 C ATOM 416 OD1 ASP A 31 -1.376 0.993 -11.988 1.00 0.00 O ATOM 417 OD2 ASP A 31 -2.738 -0.551 -11.219 1.00 0.00 O ATOM 0 H ASP A 31 0.562 -0.931 -9.617 1.00 0.00 H new ATOM 0 HA ASP A 31 0.261 1.675 -10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.441 -0.323 -9.057 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.025 1.326 -9.167 1.00 0.00 H new ATOM 422 N ILE A 32 0.357 3.326 -8.682 1.00 0.00 N ATOM 423 CA ILE A 32 0.550 4.310 -7.624 1.00 0.00 C ATOM 424 C ILE A 32 -0.763 4.999 -7.267 1.00 0.00 C ATOM 425 O ILE A 32 -1.313 5.761 -8.063 1.00 0.00 O ATOM 426 CB ILE A 32 1.583 5.378 -8.031 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.930 4.724 -8.342 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.734 6.416 -6.929 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.540 4.005 -7.159 1.00 0.00 C ATOM 0 H ILE A 32 0.297 3.721 -9.620 1.00 0.00 H new ATOM 0 HA ILE A 32 0.922 3.769 -6.754 1.00 0.00 H new ATOM 0 HB ILE A 32 1.228 5.881 -8.931 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.800 4.015 -9.160 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.624 5.489 -8.690 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.467 7.164 -7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.774 6.900 -6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.069 5.929 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.493 3.566 -7.452 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.702 4.713 -6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.865 3.217 -6.824 1.00 0.00 H new ATOM 441 N LEU A 33 -1.260 4.726 -6.066 1.00 0.00 N ATOM 442 CA LEU A 33 -2.508 5.321 -5.601 1.00 0.00 C ATOM 443 C LEU A 33 -2.260 6.256 -4.422 1.00 0.00 C ATOM 444 O LEU A 33 -1.135 6.376 -3.939 1.00 0.00 O ATOM 445 CB LEU A 33 -3.499 4.227 -5.199 1.00 0.00 C ATOM 446 CG LEU A 33 -3.836 3.197 -6.278 1.00 0.00 C ATOM 447 CD1 LEU A 33 -2.819 2.066 -6.273 1.00 0.00 C ATOM 448 CD2 LEU A 33 -5.242 2.653 -6.076 1.00 0.00 C ATOM 0 H LEU A 33 -0.818 4.096 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.931 5.903 -6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.096 3.699 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.425 4.704 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.795 3.690 -7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.075 1.343 -7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.825 2.469 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.827 1.574 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.464 1.922 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.311 2.176 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.960 3.471 -6.132 1.00 0.00 H new ATOM 460 N GLU A 34 -3.319 6.916 -3.964 1.00 0.00 N ATOM 461 CA GLU A 34 -3.216 7.839 -2.840 1.00 0.00 C ATOM 462 C GLU A 34 -4.202 7.466 -1.736 1.00 0.00 C ATOM 463 O GLU A 34 -5.416 7.514 -1.931 1.00 0.00 O ATOM 464 CB GLU A 34 -3.472 9.274 -3.305 1.00 0.00 C ATOM 465 CG GLU A 34 -2.216 10.004 -3.750 1.00 0.00 C ATOM 466 CD GLU A 34 -2.519 11.217 -4.607 1.00 0.00 C ATOM 467 OE1 GLU A 34 -3.409 11.123 -5.477 1.00 0.00 O ATOM 468 OE2 GLU A 34 -1.865 12.262 -4.407 1.00 0.00 O ATOM 0 H GLU A 34 -4.258 6.829 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.205 7.770 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.184 9.258 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.938 9.832 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.651 10.316 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.581 9.318 -4.310 1.00 0.00 H new ATOM 475 N VAL A 35 -3.670 7.094 -0.576 1.00 0.00 N ATOM 476 CA VAL A 35 -4.502 6.714 0.559 1.00 0.00 C ATOM 477 C VAL A 35 -5.126 7.938 1.218 1.00 0.00 C ATOM 478 O VAL A 35 -4.420 8.807 1.731 1.00 0.00 O ATOM 479 CB VAL A 35 -3.691 5.934 1.612 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.537 6.779 2.130 1.00 0.00 C ATOM 481 CG2 VAL A 35 -4.592 5.490 2.754 1.00 0.00 C ATOM 0 H VAL A 35 -2.667 7.048 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.293 6.072 0.171 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.275 5.044 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.976 6.212 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.879 7.043 1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.928 7.688 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.004 4.941 3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.038 6.365 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.381 4.846 2.366 1.00 0.00 H new ATOM 491 N ILE A 36 -6.453 8.001 1.201 1.00 0.00 N ATOM 492 CA ILE A 36 -7.172 9.119 1.799 1.00 0.00 C ATOM 493 C ILE A 36 -7.384 8.900 3.293 1.00 0.00 C ATOM 494 O ILE A 36 -7.162 9.803 4.101 1.00 0.00 O ATOM 495 CB ILE A 36 -8.540 9.333 1.124 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.362 9.551 -0.380 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.262 10.515 1.754 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.535 10.771 -0.721 1.00 0.00 C ATOM 0 H ILE A 36 -7.052 7.291 0.780 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.558 10.007 1.648 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.147 8.440 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.890 8.669 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.344 9.647 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.227 10.654 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.416 10.323 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.661 11.416 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.451 10.862 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.017 11.662 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.540 10.669 -0.287 1.00 0.00 H new ATOM 510 N LEU A 37 -7.813 7.696 3.654 1.00 0.00 N ATOM 511 CA LEU A 37 -8.053 7.357 5.052 1.00 0.00 C ATOM 512 C LEU A 37 -7.422 6.013 5.403 1.00 0.00 C ATOM 513 O LEU A 37 -7.278 5.142 4.546 1.00 0.00 O ATOM 514 CB LEU A 37 -9.556 7.317 5.337 1.00 0.00 C ATOM 515 CG LEU A 37 -9.957 7.212 6.809 1.00 0.00 C ATOM 516 CD1 LEU A 37 -10.013 8.591 7.447 1.00 0.00 C ATOM 517 CD2 LEU A 37 -11.297 6.504 6.947 1.00 0.00 C ATOM 0 H LEU A 37 -8.002 6.938 2.998 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.592 8.127 5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.009 8.217 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.984 6.469 4.803 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.202 6.624 7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.300 8.496 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.033 9.063 7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.747 9.204 6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.567 6.438 8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.062 7.066 6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.223 5.500 6.528 1.00 0.00 H new ATOM 529 N GLU A 38 -7.050 5.852 6.669 1.00 0.00 N ATOM 530 CA GLU A 38 -6.435 4.614 7.133 1.00 0.00 C ATOM 531 C GLU A 38 -7.390 3.838 8.036 1.00 0.00 C ATOM 532 O GLU A 38 -8.071 4.418 8.881 1.00 0.00 O ATOM 533 CB GLU A 38 -5.135 4.913 7.882 1.00 0.00 C ATOM 534 CG GLU A 38 -4.029 5.451 6.991 1.00 0.00 C ATOM 535 CD GLU A 38 -4.112 6.953 6.800 1.00 0.00 C ATOM 536 OE1 GLU A 38 -4.376 7.664 7.792 1.00 0.00 O ATOM 537 OE2 GLU A 38 -3.912 7.417 5.658 1.00 0.00 O ATOM 0 H GLU A 38 -7.164 6.563 7.391 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.209 4.001 6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.339 5.637 8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.787 4.001 8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.062 5.197 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.081 4.961 6.018 1.00 0.00 H new ATOM 544 N GLY A 39 -7.432 2.522 7.851 1.00 0.00 N ATOM 545 CA GLY A 39 -8.306 1.688 8.655 1.00 0.00 C ATOM 546 C GLY A 39 -7.560 0.956 9.753 1.00 0.00 C ATOM 547 O GLY A 39 -6.590 0.247 9.486 1.00 0.00 O ATOM 0 H GLY A 39 -6.877 2.019 7.159 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.085 2.307 9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.803 0.962 8.012 1.00 0.00 H new ATOM 551 N GLU A 40 -8.012 1.129 10.991 1.00 0.00 N ATOM 552 CA GLU A 40 -7.378 0.481 12.133 1.00 0.00 C ATOM 553 C GLU A 40 -7.433 -1.038 11.996 1.00 0.00 C ATOM 554 O GLU A 40 -6.467 -1.736 12.307 1.00 0.00 O ATOM 555 CB GLU A 40 -8.057 0.911 13.435 1.00 0.00 C ATOM 556 CG GLU A 40 -7.519 2.215 14.000 1.00 0.00 C ATOM 557 CD GLU A 40 -6.045 2.135 14.347 1.00 0.00 C ATOM 558 OE1 GLU A 40 -5.662 1.215 15.100 1.00 0.00 O ATOM 559 OE2 GLU A 40 -5.275 2.992 13.867 1.00 0.00 O ATOM 0 H GLU A 40 -8.814 1.712 11.229 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.333 0.789 12.158 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.128 1.015 13.259 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.931 0.123 14.178 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.675 3.013 13.274 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.085 2.481 14.893 1.00 0.00 H new ATOM 566 N ASP A 41 -8.569 -1.543 11.529 1.00 0.00 N ATOM 567 CA ASP A 41 -8.751 -2.979 11.350 1.00 0.00 C ATOM 568 C ASP A 41 -7.854 -3.506 10.234 1.00 0.00 C ATOM 569 O ASP A 41 -7.282 -4.590 10.343 1.00 0.00 O ATOM 570 CB ASP A 41 -10.215 -3.294 11.035 1.00 0.00 C ATOM 571 CG ASP A 41 -10.375 -4.588 10.262 1.00 0.00 C ATOM 572 OD1 ASP A 41 -10.274 -4.551 9.018 1.00 0.00 O ATOM 573 OD2 ASP A 41 -10.603 -5.637 10.900 1.00 0.00 O ATOM 0 H ASP A 41 -9.378 -0.980 11.267 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.472 -3.474 12.280 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.778 -3.358 11.966 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.644 -2.474 10.459 1.00 0.00 H new ATOM 578 N GLY A 42 -7.735 -2.730 9.161 1.00 0.00 N ATOM 579 CA GLY A 42 -6.907 -3.136 8.040 1.00 0.00 C ATOM 580 C GLY A 42 -7.402 -2.577 6.721 1.00 0.00 C ATOM 581 O GLY A 42 -6.619 -2.377 5.792 1.00 0.00 O ATOM 0 H GLY A 42 -8.197 -1.828 9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.883 -2.804 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.885 -4.224 7.984 1.00 0.00 H new ATOM 585 N TRP A 43 -8.703 -2.325 6.638 1.00 0.00 N ATOM 586 CA TRP A 43 -9.301 -1.787 5.421 1.00 0.00 C ATOM 587 C TRP A 43 -8.834 -0.358 5.171 1.00 0.00 C ATOM 588 O TRP A 43 -9.287 0.577 5.831 1.00 0.00 O ATOM 589 CB TRP A 43 -10.827 -1.828 5.518 1.00 0.00 C ATOM 590 CG TRP A 43 -11.404 -3.182 5.232 1.00 0.00 C ATOM 591 CD1 TRP A 43 -12.213 -3.917 6.051 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.214 -3.962 4.047 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.537 -5.107 5.446 1.00 0.00 N ATOM 594 CE2 TRP A 43 -11.938 -5.159 4.215 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.505 -3.765 2.859 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -11.970 -6.152 3.240 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.538 -4.752 1.893 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.267 -5.933 2.087 1.00 0.00 C ATOM 0 H TRP A 43 -9.364 -2.484 7.398 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.980 -2.406 4.583 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.129 -1.516 6.518 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.248 -1.106 4.818 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.549 -3.608 7.030 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.128 -5.834 5.848 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.942 -2.858 2.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.530 -7.063 3.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.992 -4.611 0.972 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.274 -6.685 1.311 1.00 0.00 H new ATOM 609 N TRP A 44 -7.926 -0.196 4.215 1.00 0.00 N ATOM 610 CA TRP A 44 -7.398 1.121 3.878 1.00 0.00 C ATOM 611 C TRP A 44 -8.199 1.756 2.747 1.00 0.00 C ATOM 612 O TRP A 44 -8.795 1.057 1.926 1.00 0.00 O ATOM 613 CB TRP A 44 -5.925 1.016 3.480 1.00 0.00 C ATOM 614 CG TRP A 44 -4.989 1.044 4.651 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.146 0.393 5.841 1.00 0.00 C ATOM 616 CD2 TRP A 44 -3.754 1.761 4.744 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.083 0.663 6.668 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.214 1.499 6.018 1.00 0.00 C ATOM 619 CE3 TRP A 44 -3.050 2.598 3.874 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.005 2.045 6.441 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.850 3.139 4.295 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.337 2.860 5.569 1.00 0.00 C ATOM 0 H TRP A 44 -7.540 -0.960 3.660 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.484 1.756 4.760 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.772 0.091 2.924 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.678 1.838 2.807 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.983 -0.241 6.095 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.961 0.300 7.613 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.437 2.818 2.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.609 1.832 7.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.298 3.788 3.631 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.396 3.297 5.868 1.00 0.00 H new ATOM 633 N THR A 45 -8.209 3.085 2.708 1.00 0.00 N ATOM 634 CA THR A 45 -8.938 3.813 1.677 1.00 0.00 C ATOM 635 C THR A 45 -7.982 4.466 0.685 1.00 0.00 C ATOM 636 O THR A 45 -7.165 5.308 1.057 1.00 0.00 O ATOM 637 CB THR A 45 -9.843 4.898 2.290 1.00 0.00 C ATOM 638 OG1 THR A 45 -10.816 4.296 3.151 1.00 0.00 O ATOM 639 CG2 THR A 45 -10.546 5.695 1.201 1.00 0.00 C ATOM 0 H THR A 45 -7.721 3.679 3.378 1.00 0.00 H new ATOM 0 HA THR A 45 -9.558 3.085 1.154 1.00 0.00 H new ATOM 0 HB THR A 45 -9.217 5.577 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.386 4.993 3.538 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.179 6.455 1.658 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.803 6.176 0.565 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.160 5.025 0.599 1.00 0.00 H new ATOM 647 N VAL A 46 -8.090 4.073 -0.580 1.00 0.00 N ATOM 648 CA VAL A 46 -7.236 4.622 -1.627 1.00 0.00 C ATOM 649 C VAL A 46 -8.047 4.974 -2.869 1.00 0.00 C ATOM 650 O VAL A 46 -9.020 4.297 -3.199 1.00 0.00 O ATOM 651 CB VAL A 46 -6.122 3.633 -2.018 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.192 3.383 -0.840 1.00 0.00 C ATOM 653 CG2 VAL A 46 -6.721 2.328 -2.521 1.00 0.00 C ATOM 0 H VAL A 46 -8.761 3.376 -0.905 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.783 5.528 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.536 4.073 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.411 2.682 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.737 4.324 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.761 2.964 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.920 1.641 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.331 1.881 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.342 2.526 -3.395 1.00 0.00 H new ATOM 663 N GLU A 47 -7.638 6.038 -3.553 1.00 0.00 N ATOM 664 CA GLU A 47 -8.328 6.480 -4.760 1.00 0.00 C ATOM 665 C GLU A 47 -7.579 6.029 -6.011 1.00 0.00 C ATOM 666 O GLU A 47 -6.364 5.834 -5.983 1.00 0.00 O ATOM 667 CB GLU A 47 -8.474 8.003 -4.761 1.00 0.00 C ATOM 668 CG GLU A 47 -9.675 8.498 -5.549 1.00 0.00 C ATOM 669 CD GLU A 47 -9.995 9.954 -5.271 1.00 0.00 C ATOM 670 OE1 GLU A 47 -10.399 10.265 -4.130 1.00 0.00 O ATOM 671 OE2 GLU A 47 -9.843 10.783 -6.192 1.00 0.00 O ATOM 0 H GLU A 47 -6.834 6.609 -3.293 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.319 6.027 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.556 8.353 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.569 8.446 -5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.484 8.369 -6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.543 7.886 -5.304 1.00 0.00 H new ATOM 678 N ARG A 48 -8.314 5.863 -7.106 1.00 0.00 N ATOM 679 CA ARG A 48 -7.721 5.433 -8.366 1.00 0.00 C ATOM 680 C ARG A 48 -8.482 6.019 -9.552 1.00 0.00 C ATOM 681 O ARG A 48 -9.582 5.574 -9.878 1.00 0.00 O ATOM 682 CB ARG A 48 -7.712 3.906 -8.455 1.00 0.00 C ATOM 683 CG ARG A 48 -6.569 3.351 -9.290 1.00 0.00 C ATOM 684 CD ARG A 48 -6.699 1.849 -9.484 1.00 0.00 C ATOM 685 NE ARG A 48 -7.922 1.493 -10.198 1.00 0.00 N ATOM 686 CZ ARG A 48 -8.069 0.367 -10.888 1.00 0.00 C ATOM 687 NH1 ARG A 48 -7.075 -0.508 -10.954 1.00 0.00 N ATOM 688 NH2 ARG A 48 -9.212 0.114 -11.512 1.00 0.00 N ATOM 0 H ARG A 48 -9.321 6.020 -7.146 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.694 5.797 -8.399 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.650 3.492 -7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.658 3.570 -8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.554 3.844 -10.262 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.620 3.575 -8.804 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.836 1.479 -10.037 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.690 1.356 -8.512 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.706 2.144 -10.165 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.195 -0.317 -10.474 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.190 -1.372 -11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.979 0.784 -11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.324 -0.751 -12.041 1.00 0.00 H new ATOM 702 N ASN A 49 -7.887 7.019 -10.195 1.00 0.00 N ATOM 703 CA ASN A 49 -8.509 7.666 -11.344 1.00 0.00 C ATOM 704 C ASN A 49 -9.854 8.277 -10.963 1.00 0.00 C ATOM 705 O ASN A 49 -10.808 8.238 -11.739 1.00 0.00 O ATOM 706 CB ASN A 49 -8.697 6.660 -12.482 1.00 0.00 C ATOM 707 CG ASN A 49 -8.679 7.321 -13.847 1.00 0.00 C ATOM 708 OD1 ASN A 49 -7.813 8.146 -14.138 1.00 0.00 O ATOM 709 ND2 ASN A 49 -9.639 6.961 -14.691 1.00 0.00 N ATOM 0 H ASN A 49 -6.975 7.398 -9.940 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.849 8.466 -11.680 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.908 5.910 -12.434 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.643 6.136 -12.347 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.679 7.372 -15.623 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.336 6.273 -14.407 1.00 0.00 H new ATOM 716 N GLY A 50 -9.922 8.842 -9.761 1.00 0.00 N ATOM 717 CA GLY A 50 -11.154 9.453 -9.298 1.00 0.00 C ATOM 718 C GLY A 50 -12.061 8.466 -8.590 1.00 0.00 C ATOM 719 O GLY A 50 -12.862 8.851 -7.739 1.00 0.00 O ATOM 0 H GLY A 50 -9.146 8.887 -9.100 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.917 10.274 -8.621 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.684 9.884 -10.148 1.00 0.00 H new ATOM 723 N GLN A 51 -11.936 7.191 -8.944 1.00 0.00 N ATOM 724 CA GLN A 51 -12.753 6.147 -8.338 1.00 0.00 C ATOM 725 C GLN A 51 -12.218 5.766 -6.962 1.00 0.00 C ATOM 726 O GLN A 51 -11.019 5.545 -6.792 1.00 0.00 O ATOM 727 CB GLN A 51 -12.795 4.913 -9.242 1.00 0.00 C ATOM 728 CG GLN A 51 -13.492 5.156 -10.571 1.00 0.00 C ATOM 729 CD GLN A 51 -14.988 4.918 -10.496 1.00 0.00 C ATOM 730 OE1 GLN A 51 -15.445 3.776 -10.449 1.00 0.00 O ATOM 731 NE2 GLN A 51 -15.759 5.999 -10.486 1.00 0.00 N ATOM 0 H GLN A 51 -11.277 6.856 -9.647 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.764 6.536 -8.219 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.776 4.577 -9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.304 4.105 -8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.306 6.181 -10.893 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.061 4.501 -11.328 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.337 6.927 -10.526 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.773 5.902 -10.438 1.00 0.00 H new ATOM 740 N ARG A 52 -13.114 5.692 -5.984 1.00 0.00 N ATOM 741 CA ARG A 52 -12.731 5.339 -4.622 1.00 0.00 C ATOM 742 C ARG A 52 -13.026 3.869 -4.337 1.00 0.00 C ATOM 743 O ARG A 52 -13.983 3.304 -4.865 1.00 0.00 O ATOM 744 CB ARG A 52 -13.470 6.223 -3.616 1.00 0.00 C ATOM 745 CG ARG A 52 -12.872 6.189 -2.219 1.00 0.00 C ATOM 746 CD ARG A 52 -13.142 7.482 -1.466 1.00 0.00 C ATOM 747 NE ARG A 52 -14.432 7.458 -0.782 1.00 0.00 N ATOM 748 CZ ARG A 52 -15.052 8.547 -0.344 1.00 0.00 C ATOM 749 NH1 ARG A 52 -14.503 9.742 -0.517 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.225 8.444 0.269 1.00 0.00 N ATOM 0 H ARG A 52 -14.110 5.872 -6.109 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.658 5.503 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.467 7.251 -3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.512 5.906 -3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.290 5.349 -1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.797 6.024 -2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.349 7.650 -0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.117 8.319 -2.163 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.881 6.555 -0.633 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.602 9.826 -0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.982 10.577 -0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.651 7.527 0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.700 9.282 0.605 1.00 0.00 H new ATOM 764 N GLY A 53 -12.196 3.255 -3.499 1.00 0.00 N ATOM 765 CA GLY A 53 -12.384 1.857 -3.160 1.00 0.00 C ATOM 766 C GLY A 53 -11.768 1.497 -1.823 1.00 0.00 C ATOM 767 O GLY A 53 -11.278 2.367 -1.102 1.00 0.00 O ATOM 0 H GLY A 53 -11.397 3.701 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.450 1.632 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.943 1.235 -3.939 1.00 0.00 H new ATOM 771 N PHE A 54 -11.794 0.211 -1.488 1.00 0.00 N ATOM 772 CA PHE A 54 -11.236 -0.262 -0.226 1.00 0.00 C ATOM 773 C PHE A 54 -10.352 -1.486 -0.448 1.00 0.00 C ATOM 774 O PHE A 54 -10.785 -2.481 -1.030 1.00 0.00 O ATOM 775 CB PHE A 54 -12.358 -0.600 0.757 1.00 0.00 C ATOM 776 CG PHE A 54 -13.361 0.505 0.925 1.00 0.00 C ATOM 777 CD1 PHE A 54 -12.974 1.742 1.414 1.00 0.00 C ATOM 778 CD2 PHE A 54 -14.692 0.307 0.592 1.00 0.00 C ATOM 779 CE1 PHE A 54 -13.895 2.760 1.570 1.00 0.00 C ATOM 780 CE2 PHE A 54 -15.618 1.322 0.746 1.00 0.00 C ATOM 781 CZ PHE A 54 -15.219 2.550 1.234 1.00 0.00 C ATOM 0 H PHE A 54 -12.195 -0.522 -2.073 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.623 0.536 0.194 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.872 -1.498 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.921 -0.834 1.728 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.940 1.913 1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.009 -0.651 0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.581 3.719 1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.652 1.154 0.485 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.940 3.345 1.353 1.00 0.00 H new ATOM 791 N VAL A 55 -9.111 -1.405 0.021 1.00 0.00 N ATOM 792 CA VAL A 55 -8.165 -2.505 -0.125 1.00 0.00 C ATOM 793 C VAL A 55 -7.299 -2.654 1.121 1.00 0.00 C ATOM 794 O VAL A 55 -7.051 -1.695 1.853 1.00 0.00 O ATOM 795 CB VAL A 55 -7.254 -2.304 -1.350 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.064 -2.372 -2.635 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.510 -0.980 -1.248 1.00 0.00 C ATOM 0 H VAL A 55 -8.737 -0.589 0.505 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.753 -3.412 -0.265 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.518 -3.108 -1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.403 -2.228 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.547 -3.347 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.824 -1.591 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.871 -0.854 -2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.228 -0.162 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.897 -0.975 -0.346 1.00 0.00 H new ATOM 807 N PRO A 56 -6.826 -3.884 1.370 1.00 0.00 N ATOM 808 CA PRO A 56 -5.978 -4.187 2.527 1.00 0.00 C ATOM 809 C PRO A 56 -4.589 -3.571 2.405 1.00 0.00 C ATOM 810 O PRO A 56 -3.982 -3.591 1.335 1.00 0.00 O ATOM 811 CB PRO A 56 -5.889 -5.715 2.510 1.00 0.00 C ATOM 812 CG PRO A 56 -6.121 -6.093 1.087 1.00 0.00 C ATOM 813 CD PRO A 56 -7.081 -5.073 0.540 1.00 0.00 C ATOM 0 HA PRO A 56 -6.388 -3.780 3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.914 -6.059 2.857 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.636 -6.162 3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.187 -6.091 0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.535 -7.098 1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.896 -4.873 -0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.115 -5.408 0.625 1.00 0.00 H new ATOM 821 N GLY A 57 -4.091 -3.023 3.509 1.00 0.00 N ATOM 822 CA GLY A 57 -2.776 -2.409 3.505 1.00 0.00 C ATOM 823 C GLY A 57 -1.692 -3.362 3.042 1.00 0.00 C ATOM 824 O GLY A 57 -0.828 -2.993 2.247 1.00 0.00 O ATOM 0 H GLY A 57 -4.575 -2.993 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.789 -1.535 2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.540 -2.056 4.509 1.00 0.00 H new ATOM 828 N SER A 58 -1.735 -4.593 3.544 1.00 0.00 N ATOM 829 CA SER A 58 -0.746 -5.601 3.182 1.00 0.00 C ATOM 830 C SER A 58 -0.464 -5.572 1.683 1.00 0.00 C ATOM 831 O SER A 58 0.679 -5.722 1.251 1.00 0.00 O ATOM 832 CB SER A 58 -1.230 -6.992 3.594 1.00 0.00 C ATOM 833 OG SER A 58 -0.214 -7.962 3.409 1.00 0.00 O ATOM 0 H SER A 58 -2.444 -4.915 4.202 1.00 0.00 H new ATOM 0 HA SER A 58 0.179 -5.374 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.538 -6.978 4.640 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.107 -7.264 3.007 1.00 0.00 H new ATOM 0 HG SER A 58 -0.548 -8.842 3.681 1.00 0.00 H new ATOM 839 N TYR A 59 -1.515 -5.378 0.893 1.00 0.00 N ATOM 840 CA TYR A 59 -1.382 -5.332 -0.558 1.00 0.00 C ATOM 841 C TYR A 59 -0.616 -4.087 -0.995 1.00 0.00 C ATOM 842 O TYR A 59 0.114 -4.110 -1.988 1.00 0.00 O ATOM 843 CB TYR A 59 -2.762 -5.352 -1.218 1.00 0.00 C ATOM 844 CG TYR A 59 -3.326 -6.744 -1.399 1.00 0.00 C ATOM 845 CD1 TYR A 59 -3.459 -7.607 -0.319 1.00 0.00 C ATOM 846 CD2 TYR A 59 -3.727 -7.194 -2.651 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.972 -8.879 -0.481 1.00 0.00 C ATOM 848 CE2 TYR A 59 -4.243 -8.464 -2.822 1.00 0.00 C ATOM 849 CZ TYR A 59 -4.363 -9.303 -1.734 1.00 0.00 C ATOM 850 OH TYR A 59 -4.877 -10.569 -1.899 1.00 0.00 O ATOM 0 H TYR A 59 -2.468 -5.250 1.233 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.822 -6.212 -0.874 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.453 -4.765 -0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.697 -4.866 -2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.156 -7.278 0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.634 -6.540 -3.505 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.067 -9.538 0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.551 -8.798 -3.802 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.104 -10.709 -2.842 1.00 0.00 H new ATOM 860 N LEU A 60 -0.786 -3.003 -0.248 1.00 0.00 N ATOM 861 CA LEU A 60 -0.110 -1.747 -0.556 1.00 0.00 C ATOM 862 C LEU A 60 1.272 -1.700 0.088 1.00 0.00 C ATOM 863 O LEU A 60 1.572 -2.478 0.993 1.00 0.00 O ATOM 864 CB LEU A 60 -0.949 -0.562 -0.076 1.00 0.00 C ATOM 865 CG LEU A 60 -2.429 -0.587 -0.461 1.00 0.00 C ATOM 866 CD1 LEU A 60 -3.200 0.471 0.312 1.00 0.00 C ATOM 867 CD2 LEU A 60 -2.593 -0.382 -1.960 1.00 0.00 C ATOM 0 H LEU A 60 -1.386 -2.968 0.576 1.00 0.00 H new ATOM 0 HA LEU A 60 0.011 -1.684 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.878 -0.509 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.507 0.353 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.836 -1.564 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.251 0.438 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.110 0.278 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.793 1.456 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.652 -0.403 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.170 0.581 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.075 -1.178 -2.495 1.00 0.00 H new ATOM 879 N GLU A 61 2.109 -0.782 -0.385 1.00 0.00 N ATOM 880 CA GLU A 61 3.459 -0.634 0.146 1.00 0.00 C ATOM 881 C GLU A 61 3.863 0.837 0.201 1.00 0.00 C ATOM 882 O GLU A 61 3.646 1.589 -0.749 1.00 0.00 O ATOM 883 CB GLU A 61 4.457 -1.417 -0.709 1.00 0.00 C ATOM 884 CG GLU A 61 5.896 -1.281 -0.243 1.00 0.00 C ATOM 885 CD GLU A 61 6.753 -2.467 -0.643 1.00 0.00 C ATOM 886 OE1 GLU A 61 6.263 -3.611 -0.545 1.00 0.00 O ATOM 887 OE2 GLU A 61 7.913 -2.250 -1.052 1.00 0.00 O ATOM 0 H GLU A 61 1.876 -0.130 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 61 3.469 -1.034 1.160 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.180 -2.471 -0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.385 -1.075 -1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.325 -0.370 -0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.914 -1.174 0.842 1.00 0.00 H new ATOM 894 N LYS A 62 4.453 1.241 1.321 1.00 0.00 N ATOM 895 CA LYS A 62 4.889 2.620 1.502 1.00 0.00 C ATOM 896 C LYS A 62 6.191 2.882 0.752 1.00 0.00 C ATOM 897 O LYS A 62 7.219 2.265 1.037 1.00 0.00 O ATOM 898 CB LYS A 62 5.075 2.927 2.990 1.00 0.00 C ATOM 899 CG LYS A 62 4.957 4.403 3.326 1.00 0.00 C ATOM 900 CD LYS A 62 5.804 4.769 4.534 1.00 0.00 C ATOM 901 CE LYS A 62 5.197 4.235 5.822 1.00 0.00 C ATOM 902 NZ LYS A 62 5.976 4.658 7.019 1.00 0.00 N ATOM 0 H LYS A 62 4.640 0.632 2.118 1.00 0.00 H new ATOM 0 HA LYS A 62 4.118 3.274 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.332 2.372 3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.054 2.568 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.269 4.999 2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.914 4.650 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.809 4.367 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.900 5.853 4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.170 4.589 5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.157 3.147 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.530 4.274 7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.949 4.299 6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.993 5.696 7.073 1.00 0.00 H new ATOM 916 N LEU A 63 6.142 3.800 -0.207 1.00 0.00 N ATOM 917 CA LEU A 63 7.318 4.145 -0.998 1.00 0.00 C ATOM 918 C LEU A 63 8.155 5.208 -0.293 1.00 0.00 C ATOM 919 O LEU A 63 9.383 5.127 -0.264 1.00 0.00 O ATOM 920 CB LEU A 63 6.899 4.644 -2.381 1.00 0.00 C ATOM 921 CG LEU A 63 5.981 3.718 -3.179 1.00 0.00 C ATOM 922 CD1 LEU A 63 5.429 4.436 -4.401 1.00 0.00 C ATOM 923 CD2 LEU A 63 6.724 2.455 -3.591 1.00 0.00 C ATOM 0 H LEU A 63 5.300 4.319 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 63 7.925 3.247 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.398 5.605 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.799 4.824 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 63 5.144 3.432 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.778 3.761 -4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.860 5.310 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.253 4.753 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.055 1.808 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.581 2.722 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.069 1.929 -2.701 1.00 0.00 H new