USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 337 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : X 13 SER OG : rot -79:sc= -0.561 USER MOD Single : X 15 SER OG : rot -130:sc= -0.745 USER MOD Single : X 16 GLN : amide:sc= -2.83 K(o=-2.8,f=-1.8) USER MOD Single : X 17 MET CE :methyl -176:sc= -2.29 (180deg=-2.38) USER MOD Single : X 19 SER OG : rot -25:sc= 0.314 USER MOD Single : X 20 MET CE :methyl 166:sc= -0.0346 (180deg=-0.322) USER MOD Single : X 23 SER OG : rot 180:sc= 0 USER MOD Single : X 30 THR OG1 : rot 180:sc= 0 USER MOD Single : X 34 GLN : amide:sc= -0.441 K(o=-0.44,f=-2.9!) USER MOD Single : X 35 THR OG1 : rot 79:sc= 1.22 USER MOD Single : X 36 LYS NZ :NH3+ 178:sc= -0.54 (180deg=-0.543) USER MOD Single : X 37 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.67) USER MOD Single : X 38 TYR OH : rot 180:sc= 0 USER MOD Single : X 46 THR OG1 : rot 91:sc= 1.86 USER MOD Single : X 48 GLN : amide:sc= -3.32! C(o=-3.3!,f=-2.4!) USER MOD Single : X 49 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N ALA X 6 30.135 6.138 -1.209 1.00 0.00 N ATOM 65 CA ALA X 6 29.934 7.443 -0.589 1.00 0.00 C ATOM 66 C ALA X 6 29.019 7.258 0.601 1.00 0.00 C ATOM 67 O ALA X 6 28.065 8.004 0.805 1.00 0.00 O ATOM 68 CB ALA X 6 29.334 8.441 -1.573 1.00 0.00 C ATOM 0 HA ALA X 6 30.895 7.848 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA X 6 29.197 9.403 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA X 6 30.005 8.562 -2.423 1.00 0.00 H new ATOM 0 HB3 ALA X 6 28.369 8.073 -1.922 1.00 0.00 H new ATOM 74 N ASP X 7 29.291 6.196 1.331 1.00 0.00 N ATOM 75 CA ASP X 7 28.488 5.798 2.467 1.00 0.00 C ATOM 76 C ASP X 7 29.213 6.221 3.728 1.00 0.00 C ATOM 77 O ASP X 7 30.429 6.285 3.714 1.00 0.00 O ATOM 78 CB ASP X 7 28.301 4.269 2.404 1.00 0.00 C ATOM 79 CG ASP X 7 27.542 3.683 3.571 1.00 0.00 C ATOM 80 OD1 ASP X 7 28.109 3.611 4.676 1.00 0.00 O ATOM 81 OD2 ASP X 7 26.376 3.289 3.378 1.00 0.00 O ATOM 0 H ASP X 7 30.083 5.580 1.150 1.00 0.00 H new ATOM 0 HA ASP X 7 27.505 6.269 2.460 1.00 0.00 H new ATOM 0 HB2 ASP X 7 27.776 4.017 1.482 1.00 0.00 H new ATOM 0 HB3 ASP X 7 29.282 3.797 2.351 1.00 0.00 H new ATOM 86 N PRO X 8 28.505 6.536 4.829 1.00 0.00 N ATOM 87 CA PRO X 8 29.148 6.957 6.085 1.00 0.00 C ATOM 88 C PRO X 8 30.348 6.076 6.474 1.00 0.00 C ATOM 89 O PRO X 8 31.268 6.529 7.157 1.00 0.00 O ATOM 90 CB PRO X 8 28.026 6.806 7.108 1.00 0.00 C ATOM 91 CG PRO X 8 26.774 7.046 6.334 1.00 0.00 C ATOM 92 CD PRO X 8 27.031 6.528 4.942 1.00 0.00 C ATOM 0 HA PRO X 8 29.560 7.963 6.011 1.00 0.00 H new ATOM 0 HB2 PRO X 8 28.030 5.813 7.557 1.00 0.00 H new ATOM 0 HB3 PRO X 8 28.132 7.524 7.922 1.00 0.00 H new ATOM 0 HG2 PRO X 8 25.930 6.530 6.791 1.00 0.00 H new ATOM 0 HG3 PRO X 8 26.526 8.107 6.314 1.00 0.00 H new ATOM 0 HD2 PRO X 8 26.625 5.526 4.807 1.00 0.00 H new ATOM 0 HD3 PRO X 8 26.568 7.164 4.187 1.00 0.00 H new ATOM 100 N ARG X 9 30.339 4.827 6.011 1.00 0.00 N ATOM 101 CA ARG X 9 31.425 3.886 6.277 1.00 0.00 C ATOM 102 C ARG X 9 32.483 3.891 5.170 1.00 0.00 C ATOM 103 O ARG X 9 33.667 3.678 5.431 1.00 0.00 O ATOM 104 CB ARG X 9 30.862 2.476 6.417 1.00 0.00 C ATOM 105 CG ARG X 9 29.931 2.316 7.610 1.00 0.00 C ATOM 106 CD ARG X 9 29.637 0.851 7.902 1.00 0.00 C ATOM 107 NE ARG X 9 30.858 0.068 8.125 1.00 0.00 N ATOM 108 CZ ARG X 9 31.656 0.198 9.191 1.00 0.00 C ATOM 109 NH1 ARG X 9 31.346 1.039 10.170 1.00 0.00 N ATOM 110 NH2 ARG X 9 32.761 -0.527 9.287 1.00 0.00 N ATOM 0 H ARG X 9 29.584 4.441 5.445 1.00 0.00 H new ATOM 0 HA ARG X 9 31.905 4.202 7.203 1.00 0.00 H new ATOM 0 HB2 ARG X 9 30.323 2.215 5.506 1.00 0.00 H new ATOM 0 HB3 ARG X 9 31.687 1.770 6.512 1.00 0.00 H new ATOM 0 HG2 ARG X 9 30.382 2.779 8.488 1.00 0.00 H new ATOM 0 HG3 ARG X 9 28.997 2.843 7.416 1.00 0.00 H new ATOM 0 HD2 ARG X 9 28.998 0.780 8.782 1.00 0.00 H new ATOM 0 HD3 ARG X 9 29.081 0.422 7.069 1.00 0.00 H new ATOM 0 HE ARG X 9 31.116 -0.622 7.419 1.00 0.00 H new ATOM 0 HH11 ARG X 9 30.492 1.594 10.114 1.00 0.00 H new ATOM 0 HH12 ARG X 9 31.962 1.130 10.978 1.00 0.00 H new ATOM 0 HH21 ARG X 9 33.005 -1.186 8.547 1.00 0.00 H new ATOM 0 HH22 ARG X 9 33.368 -0.426 10.101 1.00 0.00 H new ATOM 124 N LEU X 10 32.050 4.083 3.928 1.00 0.00 N ATOM 125 CA LEU X 10 32.952 4.052 2.790 1.00 0.00 C ATOM 126 C LEU X 10 33.541 5.425 2.532 1.00 0.00 C ATOM 127 O LEU X 10 34.624 5.537 1.988 1.00 0.00 O ATOM 128 CB LEU X 10 32.223 3.532 1.553 1.00 0.00 C ATOM 129 CG LEU X 10 31.792 2.067 1.644 1.00 0.00 C ATOM 130 CD1 LEU X 10 30.945 1.677 0.451 1.00 0.00 C ATOM 131 CD2 LEU X 10 33.010 1.162 1.741 1.00 0.00 C ATOM 0 H LEU X 10 31.075 4.262 3.687 1.00 0.00 H new ATOM 0 HA LEU X 10 33.774 3.373 3.018 1.00 0.00 H new ATOM 0 HB2 LEU X 10 31.340 4.148 1.380 1.00 0.00 H new ATOM 0 HB3 LEU X 10 32.872 3.654 0.686 1.00 0.00 H new ATOM 0 HG LEU X 10 31.190 1.946 2.545 1.00 0.00 H new ATOM 0 HD11 LEU X 10 30.651 0.631 0.540 1.00 0.00 H new ATOM 0 HD12 LEU X 10 30.053 2.303 0.418 1.00 0.00 H new ATOM 0 HD13 LEU X 10 31.520 1.816 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU X 10 32.687 0.123 1.805 1.00 0.00 H new ATOM 0 HD22 LEU X 10 33.633 1.294 0.856 1.00 0.00 H new ATOM 0 HD23 LEU X 10 33.584 1.419 2.631 1.00 0.00 H new ATOM 143 N ILE X 11 32.905 6.447 3.081 1.00 0.00 N ATOM 144 CA ILE X 11 33.458 7.792 3.072 1.00 0.00 C ATOM 145 C ILE X 11 34.754 7.810 3.882 1.00 0.00 C ATOM 146 O ILE X 11 35.671 8.589 3.617 1.00 0.00 O ATOM 147 CB ILE X 11 32.422 8.809 3.638 1.00 0.00 C ATOM 148 CG1 ILE X 11 31.790 9.618 2.504 1.00 0.00 C ATOM 149 CG2 ILE X 11 33.033 9.747 4.670 1.00 0.00 C ATOM 150 CD1 ILE X 11 32.753 10.566 1.821 1.00 0.00 C ATOM 0 H ILE X 11 31.998 6.370 3.542 1.00 0.00 H new ATOM 0 HA ILE X 11 33.683 8.089 2.047 1.00 0.00 H new ATOM 0 HB ILE X 11 31.650 8.227 4.142 1.00 0.00 H new ATOM 0 HG12 ILE X 11 31.384 8.931 1.762 1.00 0.00 H new ATOM 0 HG13 ILE X 11 30.952 10.190 2.901 1.00 0.00 H new ATOM 0 HG21 ILE X 11 32.270 10.435 5.033 1.00 0.00 H new ATOM 0 HG22 ILE X 11 33.423 9.165 5.505 1.00 0.00 H new ATOM 0 HG23 ILE X 11 33.844 10.313 4.212 1.00 0.00 H new ATOM 0 HD11 ILE X 11 32.233 11.104 1.029 1.00 0.00 H new ATOM 0 HD12 ILE X 11 33.141 11.278 2.550 1.00 0.00 H new ATOM 0 HD13 ILE X 11 33.579 9.999 1.393 1.00 0.00 H new ATOM 162 N GLU X 12 34.841 6.879 4.822 1.00 0.00 N ATOM 163 CA GLU X 12 36.036 6.710 5.634 1.00 0.00 C ATOM 164 C GLU X 12 37.057 5.810 4.941 1.00 0.00 C ATOM 165 O GLU X 12 38.261 6.019 5.070 1.00 0.00 O ATOM 166 CB GLU X 12 35.665 6.089 6.981 1.00 0.00 C ATOM 167 CG GLU X 12 34.567 6.829 7.730 1.00 0.00 C ATOM 168 CD GLU X 12 35.045 8.116 8.352 1.00 0.00 C ATOM 169 OE1 GLU X 12 35.403 9.044 7.607 1.00 0.00 O ATOM 170 OE2 GLU X 12 35.067 8.200 9.595 1.00 0.00 O ATOM 0 H GLU X 12 34.090 6.224 5.042 1.00 0.00 H new ATOM 0 HA GLU X 12 36.479 7.695 5.781 1.00 0.00 H new ATOM 0 HB2 GLU X 12 35.347 5.059 6.818 1.00 0.00 H new ATOM 0 HB3 GLU X 12 36.555 6.052 7.608 1.00 0.00 H new ATOM 0 HG2 GLU X 12 33.748 7.045 7.044 1.00 0.00 H new ATOM 0 HG3 GLU X 12 34.166 6.181 8.510 1.00 0.00 H new ATOM 177 N SER X 13 36.579 4.700 4.394 1.00 0.00 N ATOM 178 CA SER X 13 37.466 3.648 3.904 1.00 0.00 C ATOM 179 C SER X 13 37.751 3.728 2.400 1.00 0.00 C ATOM 180 O SER X 13 38.878 3.494 1.965 1.00 0.00 O ATOM 181 CB SER X 13 36.869 2.286 4.250 1.00 0.00 C ATOM 182 OG SER X 13 35.490 2.237 3.916 1.00 0.00 O ATOM 0 H SER X 13 35.585 4.503 4.278 1.00 0.00 H new ATOM 0 HA SER X 13 38.426 3.789 4.400 1.00 0.00 H new ATOM 0 HB2 SER X 13 37.405 1.503 3.714 1.00 0.00 H new ATOM 0 HB3 SER X 13 36.997 2.088 5.314 1.00 0.00 H new ATOM 0 HG SER X 13 34.968 2.687 4.613 1.00 0.00 H new ATOM 188 N LEU X 14 36.732 3.986 1.596 1.00 0.00 N ATOM 189 CA LEU X 14 36.893 4.000 0.155 1.00 0.00 C ATOM 190 C LEU X 14 37.186 5.411 -0.290 1.00 0.00 C ATOM 191 O LEU X 14 38.094 5.653 -1.083 1.00 0.00 O ATOM 192 CB LEU X 14 35.620 3.465 -0.523 1.00 0.00 C ATOM 193 CG LEU X 14 35.817 2.791 -1.888 1.00 0.00 C ATOM 194 CD1 LEU X 14 34.547 2.067 -2.304 1.00 0.00 C ATOM 195 CD2 LEU X 14 36.213 3.801 -2.956 1.00 0.00 C ATOM 0 H LEU X 14 35.786 4.188 1.919 1.00 0.00 H new ATOM 0 HA LEU X 14 37.723 3.355 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU X 14 35.148 2.748 0.149 1.00 0.00 H new ATOM 0 HB3 LEU X 14 34.922 4.293 -0.646 1.00 0.00 H new ATOM 0 HG LEU X 14 36.628 2.069 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU X 14 34.699 1.593 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU X 14 34.302 1.306 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU X 14 33.727 2.782 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU X 14 36.344 3.290 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU X 14 35.431 4.554 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU X 14 37.148 4.284 -2.671 1.00 0.00 H new ATOM 207 N SER X 15 36.419 6.348 0.247 1.00 0.00 N ATOM 208 CA SER X 15 36.596 7.743 -0.082 1.00 0.00 C ATOM 209 C SER X 15 37.913 8.284 0.472 1.00 0.00 C ATOM 210 O SER X 15 38.439 9.276 -0.031 1.00 0.00 O ATOM 211 CB SER X 15 35.416 8.575 0.416 1.00 0.00 C ATOM 212 OG SER X 15 34.190 8.081 -0.106 1.00 0.00 O ATOM 0 H SER X 15 35.669 6.161 0.913 1.00 0.00 H new ATOM 0 HA SER X 15 36.635 7.823 -1.168 1.00 0.00 H new ATOM 0 HB2 SER X 15 35.386 8.555 1.505 1.00 0.00 H new ATOM 0 HB3 SER X 15 35.549 9.615 0.120 1.00 0.00 H new ATOM 0 HG SER X 15 33.678 8.821 -0.493 1.00 0.00 H new ATOM 218 N GLN X 16 38.519 7.529 1.388 1.00 0.00 N ATOM 219 CA GLN X 16 39.869 7.830 1.857 1.00 0.00 C ATOM 220 C GLN X 16 40.823 7.727 0.679 1.00 0.00 C ATOM 221 O GLN X 16 41.420 8.715 0.250 1.00 0.00 O ATOM 222 CB GLN X 16 40.280 6.837 2.963 1.00 0.00 C ATOM 223 CG GLN X 16 41.636 7.100 3.631 1.00 0.00 C ATOM 224 CD GLN X 16 42.831 6.721 2.772 1.00 0.00 C ATOM 225 OE1 GLN X 16 43.419 7.566 2.098 1.00 0.00 O ATOM 226 NE2 GLN X 16 43.181 5.444 2.768 1.00 0.00 N ATOM 0 H GLN X 16 38.097 6.706 1.819 1.00 0.00 H new ATOM 0 HA GLN X 16 39.902 8.837 2.273 1.00 0.00 H new ATOM 0 HB2 GLN X 16 39.510 6.843 3.734 1.00 0.00 H new ATOM 0 HB3 GLN X 16 40.296 5.834 2.536 1.00 0.00 H new ATOM 0 HG2 GLN X 16 41.705 8.158 3.886 1.00 0.00 H new ATOM 0 HG3 GLN X 16 41.683 6.543 4.567 1.00 0.00 H new ATOM 0 HE21 GLN X 16 42.669 4.773 3.341 1.00 0.00 H new ATOM 0 HE22 GLN X 16 43.963 5.131 2.192 1.00 0.00 H new ATOM 235 N MET X 17 40.960 6.509 0.174 1.00 0.00 N ATOM 236 CA MET X 17 41.840 6.219 -0.935 1.00 0.00 C ATOM 237 C MET X 17 41.421 6.957 -2.200 1.00 0.00 C ATOM 238 O MET X 17 42.271 7.404 -2.967 1.00 0.00 O ATOM 239 CB MET X 17 41.861 4.710 -1.172 1.00 0.00 C ATOM 240 CG MET X 17 42.464 3.935 -0.012 1.00 0.00 C ATOM 241 SD MET X 17 42.429 2.155 -0.267 1.00 0.00 S ATOM 242 CE MET X 17 40.667 1.862 -0.273 1.00 0.00 C ATOM 0 H MET X 17 40.459 5.694 0.528 1.00 0.00 H new ATOM 0 HA MET X 17 42.842 6.567 -0.684 1.00 0.00 H new ATOM 0 HB2 MET X 17 40.843 4.361 -1.345 1.00 0.00 H new ATOM 0 HB3 MET X 17 42.429 4.498 -2.078 1.00 0.00 H new ATOM 0 HG2 MET X 17 43.495 4.256 0.136 1.00 0.00 H new ATOM 0 HG3 MET X 17 41.921 4.177 0.902 1.00 0.00 H new ATOM 0 HE1 MET X 17 40.476 0.792 -0.350 1.00 0.00 H new ATOM 0 HE2 MET X 17 40.232 2.242 0.651 1.00 0.00 H new ATOM 0 HE3 MET X 17 40.216 2.373 -1.124 1.00 0.00 H new ATOM 252 N LEU X 18 40.116 7.041 -2.440 1.00 0.00 N ATOM 253 CA LEU X 18 39.607 7.671 -3.655 1.00 0.00 C ATOM 254 C LEU X 18 40.015 9.143 -3.747 1.00 0.00 C ATOM 255 O LEU X 18 40.215 9.671 -4.839 1.00 0.00 O ATOM 256 CB LEU X 18 38.085 7.546 -3.716 1.00 0.00 C ATOM 257 CG LEU X 18 37.452 7.973 -5.041 1.00 0.00 C ATOM 258 CD1 LEU X 18 38.007 7.147 -6.190 1.00 0.00 C ATOM 259 CD2 LEU X 18 35.943 7.832 -4.974 1.00 0.00 C ATOM 0 H LEU X 18 39.395 6.683 -1.814 1.00 0.00 H new ATOM 0 HA LEU X 18 40.049 7.150 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU X 18 37.813 6.509 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU X 18 37.654 8.147 -2.915 1.00 0.00 H new ATOM 0 HG LEU X 18 37.699 9.020 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU X 18 37.544 7.466 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU X 18 39.086 7.289 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU X 18 37.789 6.093 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU X 18 35.506 8.140 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU X 18 35.683 6.792 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU X 18 35.554 8.463 -4.175 1.00 0.00 H new ATOM 271 N SER X 19 40.088 9.817 -2.607 1.00 0.00 N ATOM 272 CA SER X 19 40.410 11.240 -2.592 1.00 0.00 C ATOM 273 C SER X 19 41.905 11.476 -2.366 1.00 0.00 C ATOM 274 O SER X 19 42.382 12.610 -2.454 1.00 0.00 O ATOM 275 CB SER X 19 39.588 11.947 -1.507 1.00 0.00 C ATOM 276 OG SER X 19 39.779 13.352 -1.539 1.00 0.00 O ATOM 0 H SER X 19 39.930 9.407 -1.687 1.00 0.00 H new ATOM 0 HA SER X 19 40.156 11.656 -3.567 1.00 0.00 H new ATOM 0 HB2 SER X 19 38.531 11.720 -1.645 1.00 0.00 H new ATOM 0 HB3 SER X 19 39.871 11.563 -0.527 1.00 0.00 H new ATOM 0 HG SER X 19 40.652 13.555 -1.936 1.00 0.00 H new ATOM 282 N MET X 20 42.644 10.419 -2.050 1.00 0.00 N ATOM 283 CA MET X 20 44.074 10.555 -1.785 1.00 0.00 C ATOM 284 C MET X 20 44.911 10.108 -2.984 1.00 0.00 C ATOM 285 O MET X 20 46.014 10.607 -3.199 1.00 0.00 O ATOM 286 CB MET X 20 44.461 9.749 -0.538 1.00 0.00 C ATOM 287 CG MET X 20 45.921 9.901 -0.134 1.00 0.00 C ATOM 288 SD MET X 20 46.389 11.616 0.174 1.00 0.00 S ATOM 289 CE MET X 20 45.353 12.011 1.581 1.00 0.00 C ATOM 0 H MET X 20 42.284 9.468 -1.971 1.00 0.00 H new ATOM 0 HA MET X 20 44.282 11.610 -1.608 1.00 0.00 H new ATOM 0 HB2 MET X 20 43.830 10.060 0.294 1.00 0.00 H new ATOM 0 HB3 MET X 20 44.252 8.695 -0.720 1.00 0.00 H new ATOM 0 HG2 MET X 20 46.108 9.312 0.764 1.00 0.00 H new ATOM 0 HG3 MET X 20 46.555 9.492 -0.921 1.00 0.00 H new ATOM 0 HE1 MET X 20 45.700 12.937 2.039 1.00 0.00 H new ATOM 0 HE2 MET X 20 44.322 12.134 1.250 1.00 0.00 H new ATOM 0 HE3 MET X 20 45.407 11.203 2.311 1.00 0.00 H new ATOM 299 N GLY X 21 44.409 9.136 -3.732 1.00 0.00 N ATOM 300 CA GLY X 21 45.159 8.608 -4.859 1.00 0.00 C ATOM 301 C GLY X 21 45.556 7.168 -4.634 1.00 0.00 C ATOM 302 O GLY X 21 46.592 6.708 -5.118 1.00 0.00 O ATOM 0 H GLY X 21 43.498 8.703 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY X 21 44.558 8.683 -5.765 1.00 0.00 H new ATOM 0 HA3 GLY X 21 46.052 9.212 -5.018 1.00 0.00 H new ATOM 306 N PHE X 22 44.683 6.440 -3.955 1.00 0.00 N ATOM 307 CA PHE X 22 44.863 5.024 -3.712 1.00 0.00 C ATOM 308 C PHE X 22 43.665 4.301 -4.295 1.00 0.00 C ATOM 309 O PHE X 22 42.542 4.796 -4.215 1.00 0.00 O ATOM 310 CB PHE X 22 44.967 4.728 -2.211 1.00 0.00 C ATOM 311 CG PHE X 22 46.244 5.174 -1.545 1.00 0.00 C ATOM 312 CD1 PHE X 22 46.665 6.493 -1.602 1.00 0.00 C ATOM 313 CD2 PHE X 22 47.014 4.263 -0.842 1.00 0.00 C ATOM 314 CE1 PHE X 22 47.828 6.891 -0.973 1.00 0.00 C ATOM 315 CE2 PHE X 22 48.177 4.654 -0.213 1.00 0.00 C ATOM 316 CZ PHE X 22 48.586 5.968 -0.279 1.00 0.00 C ATOM 0 H PHE X 22 43.825 6.821 -3.556 1.00 0.00 H new ATOM 0 HA PHE X 22 45.789 4.687 -4.178 1.00 0.00 H new ATOM 0 HB2 PHE X 22 44.128 5.207 -1.706 1.00 0.00 H new ATOM 0 HB3 PHE X 22 44.857 3.654 -2.062 1.00 0.00 H new ATOM 0 HD1 PHE X 22 46.077 7.218 -2.145 1.00 0.00 H new ATOM 0 HD2 PHE X 22 46.699 3.231 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE X 22 48.145 7.922 -1.024 1.00 0.00 H new ATOM 0 HE2 PHE X 22 48.767 3.931 0.331 1.00 0.00 H new ATOM 0 HZ PHE X 22 49.498 6.276 0.211 1.00 0.00 H new ATOM 326 N SER X 23 43.895 3.181 -4.934 1.00 0.00 N ATOM 327 CA SER X 23 42.807 2.476 -5.588 1.00 0.00 C ATOM 328 C SER X 23 42.873 0.985 -5.285 1.00 0.00 C ATOM 329 O SER X 23 43.074 0.588 -4.140 1.00 0.00 O ATOM 330 CB SER X 23 42.855 2.706 -7.102 1.00 0.00 C ATOM 331 OG SER X 23 42.693 4.078 -7.435 1.00 0.00 O ATOM 0 H SER X 23 44.810 2.738 -5.018 1.00 0.00 H new ATOM 0 HA SER X 23 41.866 2.868 -5.201 1.00 0.00 H new ATOM 0 HB2 SER X 23 43.807 2.347 -7.494 1.00 0.00 H new ATOM 0 HB3 SER X 23 42.071 2.121 -7.583 1.00 0.00 H new ATOM 0 HG SER X 23 42.731 4.185 -8.408 1.00 0.00 H new ATOM 337 N ASP X 24 42.835 0.176 -6.337 1.00 0.00 N ATOM 338 CA ASP X 24 43.036 -1.256 -6.213 1.00 0.00 C ATOM 339 C ASP X 24 44.224 -1.683 -7.059 1.00 0.00 C ATOM 340 O ASP X 24 44.409 -1.198 -8.174 1.00 0.00 O ATOM 341 CB ASP X 24 41.777 -2.029 -6.625 1.00 0.00 C ATOM 342 CG ASP X 24 41.236 -1.621 -7.977 1.00 0.00 C ATOM 343 OD1 ASP X 24 41.863 -1.948 -8.999 1.00 0.00 O ATOM 344 OD2 ASP X 24 40.176 -0.969 -8.012 1.00 0.00 O ATOM 0 H ASP X 24 42.665 0.494 -7.291 1.00 0.00 H new ATOM 0 HA ASP X 24 43.240 -1.488 -5.168 1.00 0.00 H new ATOM 0 HB2 ASP X 24 42.003 -3.095 -6.639 1.00 0.00 H new ATOM 0 HB3 ASP X 24 41.004 -1.877 -5.872 1.00 0.00 H new ATOM 349 N GLU X 25 45.059 -2.545 -6.503 1.00 0.00 N ATOM 350 CA GLU X 25 46.264 -2.986 -7.201 1.00 0.00 C ATOM 351 C GLU X 25 45.896 -3.849 -8.402 1.00 0.00 C ATOM 352 O GLU X 25 46.530 -3.774 -9.455 1.00 0.00 O ATOM 353 CB GLU X 25 47.192 -3.767 -6.262 1.00 0.00 C ATOM 354 CG GLU X 25 48.657 -3.729 -6.675 1.00 0.00 C ATOM 355 CD GLU X 25 49.532 -4.617 -5.816 1.00 0.00 C ATOM 356 OE1 GLU X 25 48.987 -5.470 -5.090 1.00 0.00 O ATOM 357 OE2 GLU X 25 50.767 -4.472 -5.881 1.00 0.00 O ATOM 0 H GLU X 25 44.930 -2.953 -5.577 1.00 0.00 H new ATOM 0 HA GLU X 25 46.793 -2.098 -7.547 1.00 0.00 H new ATOM 0 HB2 GLU X 25 47.098 -3.363 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU X 25 46.862 -4.805 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU X 25 48.744 -4.039 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU X 25 49.020 -2.703 -6.616 1.00 0.00 H new ATOM 364 N GLY X 26 44.880 -4.675 -8.226 1.00 0.00 N ATOM 365 CA GLY X 26 44.452 -5.564 -9.293 1.00 0.00 C ATOM 366 C GLY X 26 42.948 -5.773 -9.343 1.00 0.00 C ATOM 367 O GLY X 26 42.448 -6.503 -10.200 1.00 0.00 O ATOM 0 H GLY X 26 44.340 -4.749 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY X 26 44.786 -5.159 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY X 26 44.941 -6.530 -9.168 1.00 0.00 H new ATOM 371 N GLY X 27 42.217 -5.142 -8.433 1.00 0.00 N ATOM 372 CA GLY X 27 40.775 -5.289 -8.417 1.00 0.00 C ATOM 373 C GLY X 27 40.267 -5.799 -7.090 1.00 0.00 C ATOM 374 O GLY X 27 39.249 -6.484 -7.027 1.00 0.00 O ATOM 0 H GLY X 27 42.596 -4.533 -7.708 1.00 0.00 H new ATOM 0 HA2 GLY X 27 40.311 -4.327 -8.636 1.00 0.00 H new ATOM 0 HA3 GLY X 27 40.473 -5.976 -9.208 1.00 0.00 H new ATOM 378 N TRP X 28 40.994 -5.491 -6.024 1.00 0.00 N ATOM 379 CA TRP X 28 40.627 -5.950 -4.696 1.00 0.00 C ATOM 380 C TRP X 28 39.846 -4.895 -3.932 1.00 0.00 C ATOM 381 O TRP X 28 39.392 -5.153 -2.832 1.00 0.00 O ATOM 382 CB TRP X 28 41.863 -6.355 -3.882 1.00 0.00 C ATOM 383 CG TRP X 28 42.886 -5.268 -3.739 1.00 0.00 C ATOM 384 CD1 TRP X 28 44.086 -5.192 -4.380 1.00 0.00 C ATOM 385 CD2 TRP X 28 42.797 -4.094 -2.917 1.00 0.00 C ATOM 386 NE1 TRP X 28 44.753 -4.059 -3.993 1.00 0.00 N ATOM 387 CE2 TRP X 28 43.978 -3.367 -3.103 1.00 0.00 C ATOM 388 CE3 TRP X 28 41.837 -3.592 -2.039 1.00 0.00 C ATOM 389 CZ2 TRP X 28 44.217 -2.168 -2.448 1.00 0.00 C ATOM 390 CZ3 TRP X 28 42.076 -2.400 -1.392 1.00 0.00 C ATOM 391 CH2 TRP X 28 43.261 -1.699 -1.599 1.00 0.00 C ATOM 0 H TRP X 28 41.842 -4.925 -6.056 1.00 0.00 H new ATOM 0 HA TRP X 28 39.990 -6.824 -4.835 1.00 0.00 H new ATOM 0 HB2 TRP X 28 41.543 -6.671 -2.889 1.00 0.00 H new ATOM 0 HB3 TRP X 28 42.330 -7.218 -4.356 1.00 0.00 H new ATOM 0 HD1 TRP X 28 44.457 -5.918 -5.089 1.00 0.00 H new ATOM 0 HE1 TRP X 28 45.678 -3.777 -4.316 1.00 0.00 H new ATOM 0 HE3 TRP X 28 40.917 -4.132 -1.868 1.00 0.00 H new ATOM 0 HZ2 TRP X 28 45.135 -1.622 -2.607 1.00 0.00 H new ATOM 0 HZ3 TRP X 28 41.334 -2.004 -0.715 1.00 0.00 H new ATOM 0 HH2 TRP X 28 43.425 -0.768 -1.077 1.00 0.00 H new ATOM 402 N LEU X 29 39.758 -3.682 -4.465 1.00 0.00 N ATOM 403 CA LEU X 29 39.093 -2.596 -3.743 1.00 0.00 C ATOM 404 C LEU X 29 37.602 -2.898 -3.584 1.00 0.00 C ATOM 405 O LEU X 29 36.952 -2.413 -2.662 1.00 0.00 O ATOM 406 CB LEU X 29 39.342 -1.250 -4.442 1.00 0.00 C ATOM 407 CG LEU X 29 38.420 -0.099 -4.033 1.00 0.00 C ATOM 408 CD1 LEU X 29 38.650 0.294 -2.583 1.00 0.00 C ATOM 409 CD2 LEU X 29 38.629 1.096 -4.946 1.00 0.00 C ATOM 0 H LEU X 29 40.131 -3.425 -5.379 1.00 0.00 H new ATOM 0 HA LEU X 29 39.518 -2.521 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU X 29 40.372 -0.949 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU X 29 39.248 -1.399 -5.518 1.00 0.00 H new ATOM 0 HG LEU X 29 37.389 -0.439 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU X 29 37.982 1.114 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU X 29 38.448 -0.561 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU X 29 39.684 0.612 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU X 29 37.966 1.906 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU X 29 39.665 1.429 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU X 29 38.407 0.811 -5.974 1.00 0.00 H new ATOM 421 N THR X 30 37.120 -3.832 -4.391 1.00 0.00 N ATOM 422 CA THR X 30 35.769 -4.354 -4.252 1.00 0.00 C ATOM 423 C THR X 30 35.761 -5.628 -3.384 1.00 0.00 C ATOM 424 O THR X 30 34.708 -6.085 -2.932 1.00 0.00 O ATOM 425 CB THR X 30 35.191 -4.630 -5.652 1.00 0.00 C ATOM 426 OG1 THR X 30 34.081 -5.501 -5.593 1.00 0.00 O ATOM 427 CG2 THR X 30 36.189 -5.237 -6.613 1.00 0.00 C ATOM 0 H THR X 30 37.651 -4.247 -5.156 1.00 0.00 H new ATOM 0 HA THR X 30 35.144 -3.616 -3.748 1.00 0.00 H new ATOM 0 HB THR X 30 34.899 -3.647 -6.022 1.00 0.00 H new ATOM 0 HG1 THR X 30 33.737 -5.654 -6.498 1.00 0.00 H new ATOM 0 HG21 THR X 30 35.710 -5.403 -7.578 1.00 0.00 H new ATOM 0 HG22 THR X 30 37.032 -4.558 -6.739 1.00 0.00 H new ATOM 0 HG23 THR X 30 36.545 -6.188 -6.216 1.00 0.00 H new ATOM 435 N ARG X 31 36.937 -6.223 -3.199 1.00 0.00 N ATOM 436 CA ARG X 31 37.077 -7.467 -2.439 1.00 0.00 C ATOM 437 C ARG X 31 37.501 -7.212 -0.988 1.00 0.00 C ATOM 438 O ARG X 31 36.811 -7.599 -0.044 1.00 0.00 O ATOM 439 CB ARG X 31 38.127 -8.363 -3.104 1.00 0.00 C ATOM 440 CG ARG X 31 38.016 -8.441 -4.621 1.00 0.00 C ATOM 441 CD ARG X 31 39.142 -9.275 -5.221 1.00 0.00 C ATOM 442 NE ARG X 31 39.373 -10.522 -4.487 1.00 0.00 N ATOM 443 CZ ARG X 31 38.530 -11.556 -4.469 1.00 0.00 C ATOM 444 NH1 ARG X 31 37.383 -11.502 -5.135 1.00 0.00 N ATOM 445 NH2 ARG X 31 38.844 -12.645 -3.780 1.00 0.00 N ATOM 0 H ARG X 31 37.816 -5.861 -3.568 1.00 0.00 H new ATOM 0 HA ARG X 31 36.101 -7.953 -2.432 1.00 0.00 H new ATOM 0 HB2 ARG X 31 39.119 -7.995 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG X 31 38.042 -9.369 -2.693 1.00 0.00 H new ATOM 0 HG2 ARG X 31 37.054 -8.875 -4.895 1.00 0.00 H new ATOM 0 HG3 ARG X 31 38.043 -7.436 -5.041 1.00 0.00 H new ATOM 0 HD2 ARG X 31 38.903 -9.508 -6.259 1.00 0.00 H new ATOM 0 HD3 ARG X 31 40.060 -8.687 -5.229 1.00 0.00 H new ATOM 0 HE ARG X 31 40.238 -10.605 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG X 31 37.140 -10.666 -5.666 1.00 0.00 H new ATOM 0 HH12 ARG X 31 36.744 -12.297 -5.116 1.00 0.00 H new ATOM 0 HH21 ARG X 31 39.725 -12.688 -3.268 1.00 0.00 H new ATOM 0 HH22 ARG X 31 38.204 -13.439 -3.762 1.00 0.00 H new ATOM 459 N LEU X 32 38.723 -6.700 -0.861 1.00 0.00 N ATOM 460 CA LEU X 32 39.421 -6.520 0.412 1.00 0.00 C ATOM 461 C LEU X 32 38.541 -5.873 1.480 1.00 0.00 C ATOM 462 O LEU X 32 38.178 -6.524 2.461 1.00 0.00 O ATOM 463 CB LEU X 32 40.681 -5.676 0.146 1.00 0.00 C ATOM 464 CG LEU X 32 41.774 -5.676 1.225 1.00 0.00 C ATOM 465 CD1 LEU X 32 41.387 -4.798 2.399 1.00 0.00 C ATOM 466 CD2 LEU X 32 42.068 -7.089 1.689 1.00 0.00 C ATOM 0 H LEU X 32 39.271 -6.390 -1.663 1.00 0.00 H new ATOM 0 HA LEU X 32 39.692 -7.499 0.808 1.00 0.00 H new ATOM 0 HB2 LEU X 32 41.128 -6.023 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU X 32 40.367 -4.645 -0.015 1.00 0.00 H new ATOM 0 HG LEU X 32 42.680 -5.262 0.782 1.00 0.00 H new ATOM 0 HD11 LEU X 32 42.181 -4.819 3.146 1.00 0.00 H new ATOM 0 HD12 LEU X 32 41.239 -3.774 2.055 1.00 0.00 H new ATOM 0 HD13 LEU X 32 40.463 -5.169 2.842 1.00 0.00 H new ATOM 0 HD21 LEU X 32 42.845 -7.067 2.453 1.00 0.00 H new ATOM 0 HD22 LEU X 32 41.163 -7.531 2.105 1.00 0.00 H new ATOM 0 HD23 LEU X 32 42.408 -7.686 0.843 1.00 0.00 H new ATOM 478 N LEU X 33 38.293 -4.571 1.334 1.00 0.00 N ATOM 479 CA LEU X 33 37.562 -3.800 2.340 1.00 0.00 C ATOM 480 C LEU X 33 36.261 -4.484 2.723 1.00 0.00 C ATOM 481 O LEU X 33 35.971 -4.676 3.896 1.00 0.00 O ATOM 482 CB LEU X 33 37.252 -2.383 1.834 1.00 0.00 C ATOM 483 CG LEU X 33 38.454 -1.447 1.685 1.00 0.00 C ATOM 484 CD1 LEU X 33 39.284 -1.806 0.465 1.00 0.00 C ATOM 485 CD2 LEU X 33 37.987 -0.007 1.595 1.00 0.00 C ATOM 0 H LEU X 33 38.589 -4.026 0.524 1.00 0.00 H new ATOM 0 HA LEU X 33 38.204 -3.737 3.219 1.00 0.00 H new ATOM 0 HB2 LEU X 33 36.757 -2.464 0.866 1.00 0.00 H new ATOM 0 HB3 LEU X 33 36.540 -1.922 2.518 1.00 0.00 H new ATOM 0 HG LEU X 33 39.084 -1.564 2.567 1.00 0.00 H new ATOM 0 HD11 LEU X 33 40.130 -1.123 0.387 1.00 0.00 H new ATOM 0 HD12 LEU X 33 39.650 -2.828 0.562 1.00 0.00 H new ATOM 0 HD13 LEU X 33 38.668 -1.725 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU X 33 38.851 0.650 1.489 1.00 0.00 H new ATOM 0 HD22 LEU X 33 37.334 0.110 0.730 1.00 0.00 H new ATOM 0 HD23 LEU X 33 37.440 0.256 2.501 1.00 0.00 H new ATOM 497 N GLN X 34 35.478 -4.818 1.719 1.00 0.00 N ATOM 498 CA GLN X 34 34.175 -5.452 1.906 1.00 0.00 C ATOM 499 C GLN X 34 34.239 -6.671 2.826 1.00 0.00 C ATOM 500 O GLN X 34 33.317 -6.920 3.601 1.00 0.00 O ATOM 501 CB GLN X 34 33.641 -5.866 0.545 1.00 0.00 C ATOM 502 CG GLN X 34 33.001 -4.737 -0.252 1.00 0.00 C ATOM 503 CD GLN X 34 33.943 -3.574 -0.486 1.00 0.00 C ATOM 504 OE1 GLN X 34 35.047 -3.751 -0.996 1.00 0.00 O ATOM 505 NE2 GLN X 34 33.521 -2.384 -0.099 1.00 0.00 N ATOM 0 H GLN X 34 35.722 -4.659 0.741 1.00 0.00 H new ATOM 0 HA GLN X 34 33.514 -4.730 2.385 1.00 0.00 H new ATOM 0 HB2 GLN X 34 34.459 -6.288 -0.039 1.00 0.00 H new ATOM 0 HB3 GLN X 34 32.906 -6.659 0.683 1.00 0.00 H new ATOM 0 HG2 GLN X 34 32.663 -5.124 -1.213 1.00 0.00 H new ATOM 0 HG3 GLN X 34 32.117 -4.381 0.277 1.00 0.00 H new ATOM 0 HE21 GLN X 34 32.597 -2.282 0.320 1.00 0.00 H new ATOM 0 HE22 GLN X 34 34.119 -1.567 -0.219 1.00 0.00 H new ATOM 514 N THR X 35 35.303 -7.451 2.704 1.00 0.00 N ATOM 515 CA THR X 35 35.451 -8.668 3.492 1.00 0.00 C ATOM 516 C THR X 35 36.092 -8.367 4.853 1.00 0.00 C ATOM 517 O THR X 35 36.228 -9.253 5.701 1.00 0.00 O ATOM 518 CB THR X 35 36.294 -9.681 2.704 1.00 0.00 C ATOM 519 OG1 THR X 35 35.888 -9.714 1.345 1.00 0.00 O ATOM 520 CG2 THR X 35 36.199 -11.099 3.227 1.00 0.00 C ATOM 0 H THR X 35 36.077 -7.264 2.067 1.00 0.00 H new ATOM 0 HA THR X 35 34.465 -9.091 3.682 1.00 0.00 H new ATOM 0 HB THR X 35 37.322 -9.338 2.818 1.00 0.00 H new ATOM 0 HG1 THR X 35 36.269 -8.946 0.871 1.00 0.00 H new ATOM 0 HG21 THR X 35 36.822 -11.754 2.618 1.00 0.00 H new ATOM 0 HG22 THR X 35 36.543 -11.129 4.261 1.00 0.00 H new ATOM 0 HG23 THR X 35 35.163 -11.436 3.179 1.00 0.00 H new ATOM 528 N LYS X 36 36.527 -7.126 5.040 1.00 0.00 N ATOM 529 CA LYS X 36 37.203 -6.727 6.268 1.00 0.00 C ATOM 530 C LYS X 36 36.529 -5.519 6.924 1.00 0.00 C ATOM 531 O LYS X 36 37.205 -4.642 7.456 1.00 0.00 O ATOM 532 CB LYS X 36 38.674 -6.424 5.983 1.00 0.00 C ATOM 533 CG LYS X 36 39.446 -7.618 5.445 1.00 0.00 C ATOM 534 CD LYS X 36 40.922 -7.301 5.297 1.00 0.00 C ATOM 535 CE LYS X 36 41.721 -8.542 4.927 1.00 0.00 C ATOM 536 NZ LYS X 36 43.191 -8.297 4.933 1.00 0.00 N ATOM 0 H LYS X 36 36.423 -6.378 4.355 1.00 0.00 H new ATOM 0 HA LYS X 36 37.135 -7.559 6.969 1.00 0.00 H new ATOM 0 HB2 LYS X 36 38.736 -5.607 5.264 1.00 0.00 H new ATOM 0 HB3 LYS X 36 39.150 -6.077 6.900 1.00 0.00 H new ATOM 0 HG2 LYS X 36 39.320 -8.467 6.117 1.00 0.00 H new ATOM 0 HG3 LYS X 36 39.037 -7.912 4.479 1.00 0.00 H new ATOM 0 HD2 LYS X 36 41.057 -6.538 4.531 1.00 0.00 H new ATOM 0 HD3 LYS X 36 41.302 -6.886 6.231 1.00 0.00 H new ATOM 0 HE2 LYS X 36 41.487 -9.343 5.628 1.00 0.00 H new ATOM 0 HE3 LYS X 36 41.417 -8.884 3.938 1.00 0.00 H new ATOM 0 HZ1 LYS X 36 43.691 -9.181 4.708 1.00 0.00 H new ATOM 0 HZ2 LYS X 36 43.426 -7.575 4.222 1.00 0.00 H new ATOM 0 HZ3 LYS X 36 43.484 -7.964 5.874 1.00 0.00 H new ATOM 550 N ASN X 37 35.193 -5.501 6.880 1.00 0.00 N ATOM 551 CA ASN X 37 34.354 -4.436 7.475 1.00 0.00 C ATOM 552 C ASN X 37 34.688 -3.044 6.943 1.00 0.00 C ATOM 553 O ASN X 37 34.356 -2.036 7.572 1.00 0.00 O ATOM 554 CB ASN X 37 34.380 -4.468 9.026 1.00 0.00 C ATOM 555 CG ASN X 37 35.653 -3.921 9.667 1.00 0.00 C ATOM 556 OD1 ASN X 37 35.913 -2.716 9.653 1.00 0.00 O ATOM 557 ND2 ASN X 37 36.455 -4.806 10.236 1.00 0.00 N ATOM 0 H ASN X 37 34.648 -6.234 6.425 1.00 0.00 H new ATOM 0 HA ASN X 37 33.334 -4.654 7.158 1.00 0.00 H new ATOM 0 HB2 ASN X 37 33.530 -3.897 9.399 1.00 0.00 H new ATOM 0 HB3 ASN X 37 34.241 -5.498 9.354 1.00 0.00 H new ATOM 0 HD21 ASN X 37 37.319 -4.498 10.682 1.00 0.00 H new ATOM 0 HD22 ASN X 37 36.209 -5.796 10.229 1.00 0.00 H new ATOM 564 N TYR X 38 35.293 -3.008 5.758 1.00 0.00 N ATOM 565 CA TYR X 38 35.649 -1.764 5.065 1.00 0.00 C ATOM 566 C TYR X 38 36.816 -1.096 5.761 1.00 0.00 C ATOM 567 O TYR X 38 36.644 -0.108 6.476 1.00 0.00 O ATOM 568 CB TYR X 38 34.474 -0.778 4.971 1.00 0.00 C ATOM 569 CG TYR X 38 33.199 -1.364 4.407 1.00 0.00 C ATOM 570 CD1 TYR X 38 33.215 -2.187 3.287 1.00 0.00 C ATOM 571 CD2 TYR X 38 31.974 -1.076 4.989 1.00 0.00 C ATOM 572 CE1 TYR X 38 32.044 -2.707 2.771 1.00 0.00 C ATOM 573 CE2 TYR X 38 30.801 -1.591 4.478 1.00 0.00 C ATOM 574 CZ TYR X 38 30.842 -2.405 3.370 1.00 0.00 C ATOM 575 OH TYR X 38 29.678 -2.926 2.861 1.00 0.00 O ATOM 0 H TYR X 38 35.554 -3.849 5.243 1.00 0.00 H new ATOM 0 HA TYR X 38 35.925 -2.039 4.047 1.00 0.00 H new ATOM 0 HB2 TYR X 38 34.267 -0.385 5.966 1.00 0.00 H new ATOM 0 HB3 TYR X 38 34.775 0.066 4.351 1.00 0.00 H new ATOM 0 HD1 TYR X 38 34.156 -2.423 2.813 1.00 0.00 H new ATOM 0 HD2 TYR X 38 31.938 -0.437 5.859 1.00 0.00 H new ATOM 0 HE1 TYR X 38 32.071 -3.347 1.902 1.00 0.00 H new ATOM 0 HE2 TYR X 38 29.856 -1.357 4.945 1.00 0.00 H new ATOM 0 HH TYR X 38 28.919 -2.618 3.399 1.00 0.00 H new ATOM 585 N ASP X 39 37.998 -1.667 5.598 1.00 0.00 N ATOM 586 CA ASP X 39 39.174 -1.128 6.279 1.00 0.00 C ATOM 587 C ASP X 39 40.212 -0.579 5.308 1.00 0.00 C ATOM 588 O ASP X 39 40.516 -1.183 4.283 1.00 0.00 O ATOM 589 CB ASP X 39 39.818 -2.168 7.209 1.00 0.00 C ATOM 590 CG ASP X 39 40.315 -3.415 6.504 1.00 0.00 C ATOM 591 OD1 ASP X 39 39.980 -3.625 5.325 1.00 0.00 O ATOM 592 OD2 ASP X 39 41.030 -4.202 7.156 1.00 0.00 O ATOM 0 H ASP X 39 38.172 -2.485 5.015 1.00 0.00 H new ATOM 0 HA ASP X 39 38.814 -0.296 6.884 1.00 0.00 H new ATOM 0 HB2 ASP X 39 40.654 -1.703 7.731 1.00 0.00 H new ATOM 0 HB3 ASP X 39 39.091 -2.459 7.967 1.00 0.00 H new ATOM 597 N ILE X 40 40.845 0.514 5.714 1.00 0.00 N ATOM 598 CA ILE X 40 41.962 1.071 4.970 1.00 0.00 C ATOM 599 C ILE X 40 43.270 0.495 5.484 1.00 0.00 C ATOM 600 O ILE X 40 44.302 0.577 4.820 1.00 0.00 O ATOM 601 CB ILE X 40 42.028 2.616 5.045 1.00 0.00 C ATOM 602 CG1 ILE X 40 41.849 3.121 6.483 1.00 0.00 C ATOM 603 CG2 ILE X 40 40.990 3.237 4.129 1.00 0.00 C ATOM 604 CD1 ILE X 40 40.405 3.312 6.902 1.00 0.00 C ATOM 0 H ILE X 40 40.601 1.032 6.558 1.00 0.00 H new ATOM 0 HA ILE X 40 41.805 0.798 3.927 1.00 0.00 H new ATOM 0 HB ILE X 40 43.019 2.921 4.710 1.00 0.00 H new ATOM 0 HG12 ILE X 40 42.323 2.415 7.165 1.00 0.00 H new ATOM 0 HG13 ILE X 40 42.375 4.070 6.591 1.00 0.00 H new ATOM 0 HG21 ILE X 40 41.050 4.323 4.194 1.00 0.00 H new ATOM 0 HG22 ILE X 40 41.177 2.924 3.102 1.00 0.00 H new ATOM 0 HG23 ILE X 40 39.995 2.910 4.432 1.00 0.00 H new ATOM 0 HD11 ILE X 40 40.369 3.670 7.931 1.00 0.00 H new ATOM 0 HD12 ILE X 40 39.929 4.042 6.247 1.00 0.00 H new ATOM 0 HD13 ILE X 40 39.877 2.361 6.830 1.00 0.00 H new ATOM 616 N GLY X 41 43.225 -0.042 6.698 1.00 0.00 N ATOM 617 CA GLY X 41 44.418 -0.572 7.325 1.00 0.00 C ATOM 618 C GLY X 41 45.014 -1.721 6.556 1.00 0.00 C ATOM 619 O GLY X 41 46.229 -1.809 6.385 1.00 0.00 O ATOM 0 H GLY X 41 42.378 -0.119 7.261 1.00 0.00 H new ATOM 0 HA2 GLY X 41 45.159 0.222 7.417 1.00 0.00 H new ATOM 0 HA3 GLY X 41 44.177 -0.902 8.336 1.00 0.00 H new ATOM 623 N ALA X 42 44.148 -2.564 6.037 1.00 0.00 N ATOM 624 CA ALA X 42 44.572 -3.678 5.210 1.00 0.00 C ATOM 625 C ALA X 42 44.474 -3.319 3.736 1.00 0.00 C ATOM 626 O ALA X 42 44.988 -4.035 2.881 1.00 0.00 O ATOM 627 CB ALA X 42 43.745 -4.914 5.517 1.00 0.00 C ATOM 0 H ALA X 42 43.139 -2.500 6.173 1.00 0.00 H new ATOM 0 HA ALA X 42 45.615 -3.898 5.438 1.00 0.00 H new ATOM 0 HB1 ALA X 42 44.077 -5.740 4.887 1.00 0.00 H new ATOM 0 HB2 ALA X 42 43.870 -5.184 6.566 1.00 0.00 H new ATOM 0 HB3 ALA X 42 42.693 -4.707 5.319 1.00 0.00 H new ATOM 633 N ALA X 43 43.839 -2.186 3.452 1.00 0.00 N ATOM 634 CA ALA X 43 43.710 -1.705 2.082 1.00 0.00 C ATOM 635 C ALA X 43 45.034 -1.154 1.569 1.00 0.00 C ATOM 636 O ALA X 43 45.480 -1.517 0.486 1.00 0.00 O ATOM 637 CB ALA X 43 42.626 -0.644 1.983 1.00 0.00 C ATOM 0 H ALA X 43 43.406 -1.584 4.153 1.00 0.00 H new ATOM 0 HA ALA X 43 43.426 -2.552 1.458 1.00 0.00 H new ATOM 0 HB1 ALA X 43 42.547 -0.299 0.952 1.00 0.00 H new ATOM 0 HB2 ALA X 43 41.672 -1.068 2.298 1.00 0.00 H new ATOM 0 HB3 ALA X 43 42.880 0.197 2.628 1.00 0.00 H new ATOM 643 N LEU X 44 45.686 -0.315 2.373 1.00 0.00 N ATOM 644 CA LEU X 44 46.997 0.234 2.008 1.00 0.00 C ATOM 645 C LEU X 44 48.005 -0.888 1.782 1.00 0.00 C ATOM 646 O LEU X 44 48.847 -0.807 0.885 1.00 0.00 O ATOM 647 CB LEU X 44 47.513 1.190 3.090 1.00 0.00 C ATOM 648 CG LEU X 44 47.088 2.657 2.941 1.00 0.00 C ATOM 649 CD1 LEU X 44 45.580 2.807 3.010 1.00 0.00 C ATOM 650 CD2 LEU X 44 47.747 3.508 4.011 1.00 0.00 C ATOM 0 H LEU X 44 45.333 -0.000 3.277 1.00 0.00 H new ATOM 0 HA LEU X 44 46.877 0.794 1.080 1.00 0.00 H new ATOM 0 HB2 LEU X 44 47.172 0.829 4.060 1.00 0.00 H new ATOM 0 HB3 LEU X 44 48.602 1.146 3.098 1.00 0.00 H new ATOM 0 HG LEU X 44 47.416 3.000 1.960 1.00 0.00 H new ATOM 0 HD11 LEU X 44 45.314 3.858 2.901 1.00 0.00 H new ATOM 0 HD12 LEU X 44 45.120 2.231 2.207 1.00 0.00 H new ATOM 0 HD13 LEU X 44 45.221 2.440 3.972 1.00 0.00 H new ATOM 0 HD21 LEU X 44 47.436 4.546 3.893 1.00 0.00 H new ATOM 0 HD22 LEU X 44 47.448 3.150 4.996 1.00 0.00 H new ATOM 0 HD23 LEU X 44 48.831 3.440 3.914 1.00 0.00 H new ATOM 662 N ASP X 45 47.843 -1.961 2.550 1.00 0.00 N ATOM 663 CA ASP X 45 48.653 -3.170 2.416 1.00 0.00 C ATOM 664 C ASP X 45 48.601 -3.715 0.988 1.00 0.00 C ATOM 665 O ASP X 45 49.596 -4.205 0.460 1.00 0.00 O ATOM 666 CB ASP X 45 48.123 -4.229 3.392 1.00 0.00 C ATOM 667 CG ASP X 45 48.777 -5.588 3.245 1.00 0.00 C ATOM 668 OD1 ASP X 45 49.956 -5.659 2.858 1.00 0.00 O ATOM 669 OD2 ASP X 45 48.106 -6.593 3.557 1.00 0.00 O ATOM 0 H ASP X 45 47.142 -2.018 3.288 1.00 0.00 H new ATOM 0 HA ASP X 45 49.690 -2.926 2.645 1.00 0.00 H new ATOM 0 HB2 ASP X 45 48.272 -3.874 4.412 1.00 0.00 H new ATOM 0 HB3 ASP X 45 47.048 -4.337 3.246 1.00 0.00 H new ATOM 674 N THR X 46 47.403 -3.775 0.438 1.00 0.00 N ATOM 675 CA THR X 46 47.190 -4.442 -0.835 1.00 0.00 C ATOM 676 C THR X 46 47.438 -3.550 -2.063 1.00 0.00 C ATOM 677 O THR X 46 47.416 -4.048 -3.185 1.00 0.00 O ATOM 678 CB THR X 46 45.777 -5.022 -0.860 1.00 0.00 C ATOM 679 OG1 THR X 46 44.872 -4.172 -0.176 1.00 0.00 O ATOM 680 CG2 THR X 46 45.674 -6.387 -0.222 1.00 0.00 C ATOM 0 H THR X 46 46.563 -3.371 0.851 1.00 0.00 H new ATOM 0 HA THR X 46 47.933 -5.236 -0.909 1.00 0.00 H new ATOM 0 HB THR X 46 45.526 -5.109 -1.917 1.00 0.00 H new ATOM 0 HG1 THR X 46 44.477 -3.537 -0.810 1.00 0.00 H new ATOM 0 HG21 THR X 46 44.643 -6.737 -0.276 1.00 0.00 H new ATOM 0 HG22 THR X 46 46.322 -7.086 -0.751 1.00 0.00 H new ATOM 0 HG23 THR X 46 45.982 -6.325 0.822 1.00 0.00 H new ATOM 688 N ILE X 47 47.696 -2.252 -1.888 1.00 0.00 N ATOM 689 CA ILE X 47 47.962 -1.404 -3.059 1.00 0.00 C ATOM 690 C ILE X 47 49.416 -0.960 -3.151 1.00 0.00 C ATOM 691 O ILE X 47 49.890 -0.644 -4.240 1.00 0.00 O ATOM 692 CB ILE X 47 47.093 -0.124 -3.085 1.00 0.00 C ATOM 693 CG1 ILE X 47 46.558 0.202 -1.690 1.00 0.00 C ATOM 694 CG2 ILE X 47 45.961 -0.230 -4.099 1.00 0.00 C ATOM 695 CD1 ILE X 47 45.548 1.324 -1.679 1.00 0.00 C ATOM 0 H ILE X 47 47.727 -1.777 -0.986 1.00 0.00 H new ATOM 0 HA ILE X 47 47.712 -2.042 -3.906 1.00 0.00 H new ATOM 0 HB ILE X 47 47.733 0.699 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE X 47 46.100 -0.692 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE X 47 47.393 0.469 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE X 47 45.374 0.688 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE X 47 46.378 -0.381 -5.095 1.00 0.00 H new ATOM 0 HG23 ILE X 47 45.320 -1.073 -3.842 1.00 0.00 H new ATOM 0 HD11 ILE X 47 45.212 1.501 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE X 47 46.007 2.231 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE X 47 44.695 1.051 -2.300 1.00 0.00 H new ATOM 707 N GLN X 48 50.104 -0.879 -2.017 1.00 0.00 N ATOM 708 CA GLN X 48 51.486 -0.394 -1.999 1.00 0.00 C ATOM 709 C GLN X 48 52.248 -0.923 -0.793 1.00 0.00 C ATOM 710 O GLN X 48 53.421 -1.279 -0.895 1.00 0.00 O ATOM 711 CB GLN X 48 51.530 1.146 -1.979 1.00 0.00 C ATOM 712 CG GLN X 48 51.227 1.806 -3.318 1.00 0.00 C ATOM 713 CD GLN X 48 49.954 2.633 -3.297 1.00 0.00 C ATOM 714 OE1 GLN X 48 49.864 3.628 -2.582 1.00 0.00 O ATOM 715 NE2 GLN X 48 48.965 2.222 -4.083 1.00 0.00 N ATOM 0 H GLN X 48 49.734 -1.140 -1.103 1.00 0.00 H new ATOM 0 HA GLN X 48 51.961 -0.762 -2.909 1.00 0.00 H new ATOM 0 HB2 GLN X 48 50.814 1.507 -1.240 1.00 0.00 H new ATOM 0 HB3 GLN X 48 52.518 1.464 -1.647 1.00 0.00 H new ATOM 0 HG2 GLN X 48 52.064 2.445 -3.600 1.00 0.00 H new ATOM 0 HG3 GLN X 48 51.141 1.036 -4.085 1.00 0.00 H new ATOM 0 HE21 GLN X 48 49.085 1.389 -4.660 1.00 0.00 H new ATOM 0 HE22 GLN X 48 48.086 2.739 -4.109 1.00 0.00 H new ATOM 724 N TYR X 49 51.610 -0.875 0.369 1.00 0.00 N ATOM 725 CA TYR X 49 52.267 -1.243 1.620 1.00 0.00 C ATOM 726 C TYR X 49 52.223 -2.751 1.846 1.00 0.00 C ATOM 727 O TYR X 49 51.867 -3.211 2.930 1.00 0.00 O ATOM 728 CB TYR X 49 51.611 -0.520 2.807 1.00 0.00 C ATOM 729 CG TYR X 49 51.686 0.994 2.740 1.00 0.00 C ATOM 730 CD1 TYR X 49 50.961 1.711 1.794 1.00 0.00 C ATOM 731 CD2 TYR X 49 52.480 1.705 3.631 1.00 0.00 C ATOM 732 CE1 TYR X 49 51.027 3.090 1.739 1.00 0.00 C ATOM 733 CE2 TYR X 49 52.551 3.083 3.580 1.00 0.00 C ATOM 734 CZ TYR X 49 51.823 3.770 2.633 1.00 0.00 C ATOM 735 OH TYR X 49 51.889 5.144 2.586 1.00 0.00 O ATOM 0 H TYR X 49 50.638 -0.585 0.473 1.00 0.00 H new ATOM 0 HA TYR X 49 53.310 -0.936 1.547 1.00 0.00 H new ATOM 0 HB2 TYR X 49 50.564 -0.817 2.864 1.00 0.00 H new ATOM 0 HB3 TYR X 49 52.088 -0.854 3.728 1.00 0.00 H new ATOM 0 HD1 TYR X 49 50.336 1.181 1.091 1.00 0.00 H new ATOM 0 HD2 TYR X 49 53.051 1.171 4.376 1.00 0.00 H new ATOM 0 HE1 TYR X 49 50.457 3.632 0.999 1.00 0.00 H new ATOM 0 HE2 TYR X 49 53.174 3.620 4.279 1.00 0.00 H new ATOM 0 HH TYR X 49 52.494 5.467 3.286 1.00 0.00 H new