USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 438 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 29 ASN : amide:sc= -3.57 K(o=-3.6,f=-5!) USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 4 CYS SG : rot 4:sc= -1.03 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 168:sc= 0.21 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -15:sc= 0.67 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.298 USER MOD Single : A 51 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.0013) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -1.063 11.290 5.192 1.00 0.00 N ATOM 21 CA ARG A 2 -1.797 10.086 4.820 1.00 0.00 C ATOM 22 C ARG A 2 -0.847 9.003 4.318 1.00 0.00 C ATOM 23 O ARG A 2 -0.658 8.840 3.112 1.00 0.00 O ATOM 24 CB ARG A 2 -2.839 10.409 3.746 1.00 0.00 C ATOM 25 CG ARG A 2 -4.239 10.619 4.301 1.00 0.00 C ATOM 26 CD ARG A 2 -5.295 9.977 3.414 1.00 0.00 C ATOM 27 NE ARG A 2 -6.427 10.870 3.175 1.00 0.00 N ATOM 28 CZ ARG A 2 -7.371 10.643 2.265 1.00 0.00 C ATOM 29 NH1 ARG A 2 -7.324 9.553 1.507 1.00 0.00 N ATOM 30 NH2 ARG A 2 -8.365 11.506 2.111 1.00 0.00 N ATOM 0 HA ARG A 2 -2.307 9.712 5.708 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.531 11.307 3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.863 9.597 3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.300 10.197 5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.439 11.687 4.391 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.846 9.698 2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.650 9.058 3.881 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.498 11.717 3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.562 8.885 1.621 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.050 9.384 0.811 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.407 12.345 2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.088 11.332 1.413 1.00 0.00 H new ATOM 44 N GLN A 3 -0.252 8.267 5.250 1.00 0.00 N ATOM 45 CA GLN A 3 0.679 7.199 4.902 1.00 0.00 C ATOM 46 C GLN A 3 0.312 5.903 5.617 1.00 0.00 C ATOM 47 O GLN A 3 -0.237 5.923 6.719 1.00 0.00 O ATOM 48 CB GLN A 3 2.110 7.606 5.258 1.00 0.00 C ATOM 49 CG GLN A 3 2.839 8.316 4.129 1.00 0.00 C ATOM 50 CD GLN A 3 4.346 8.229 4.263 1.00 0.00 C ATOM 51 OE1 GLN A 3 4.888 8.302 5.366 1.00 0.00 O ATOM 52 NE2 GLN A 3 5.032 8.073 3.137 1.00 0.00 N ATOM 0 H GLN A 3 -0.397 8.390 6.252 1.00 0.00 H new ATOM 0 HA GLN A 3 0.614 7.030 3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.087 8.258 6.131 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.673 6.716 5.540 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.537 7.881 3.176 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.539 9.364 4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.541 8.017 2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 3 6.050 8.009 3.165 1.00 0.00 H new ATOM 61 N CYS A 4 0.620 4.776 4.982 1.00 0.00 N ATOM 62 CA CYS A 4 0.324 3.469 5.556 1.00 0.00 C ATOM 63 C CYS A 4 1.369 2.442 5.132 1.00 0.00 C ATOM 64 O CYS A 4 1.822 2.442 3.988 1.00 0.00 O ATOM 65 CB CYS A 4 -1.068 3.003 5.127 1.00 0.00 C ATOM 66 SG CYS A 4 -2.420 3.984 5.818 1.00 0.00 S ATOM 0 H CYS A 4 1.075 4.742 4.070 1.00 0.00 H new ATOM 0 HA CYS A 4 0.349 3.562 6.642 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.130 3.033 4.039 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.199 1.963 5.425 1.00 0.00 H new ATOM 0 HG CYS A 4 -1.931 4.970 6.511 1.00 0.00 H new ATOM 72 N LYS A 5 1.748 1.569 6.060 1.00 0.00 N ATOM 73 CA LYS A 5 2.740 0.540 5.773 1.00 0.00 C ATOM 74 C LYS A 5 2.157 -0.858 5.976 1.00 0.00 C ATOM 75 O LYS A 5 1.619 -1.173 7.033 1.00 0.00 O ATOM 76 CB LYS A 5 3.970 0.738 6.667 1.00 0.00 C ATOM 77 CG LYS A 5 4.988 -0.392 6.583 1.00 0.00 C ATOM 78 CD LYS A 5 5.350 -0.921 7.963 1.00 0.00 C ATOM 79 CE LYS A 5 4.144 -1.520 8.668 1.00 0.00 C ATOM 80 NZ LYS A 5 4.513 -2.138 9.972 1.00 0.00 N ATOM 0 H LYS A 5 1.385 1.554 7.013 1.00 0.00 H new ATOM 0 HA LYS A 5 3.037 0.631 4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.458 1.673 6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.641 0.841 7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.584 -1.202 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.888 -0.036 6.081 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.130 -1.677 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.760 -0.112 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.397 -0.743 8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.685 -2.272 8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.663 -2.535 10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.207 -2.896 9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.927 -1.415 10.594 1.00 0.00 H new ATOM 94 N VAL A 6 2.280 -1.685 4.946 1.00 0.00 N ATOM 95 CA VAL A 6 1.781 -3.057 4.971 1.00 0.00 C ATOM 96 C VAL A 6 2.470 -3.882 6.055 1.00 0.00 C ATOM 97 O VAL A 6 3.660 -3.712 6.317 1.00 0.00 O ATOM 98 CB VAL A 6 1.994 -3.753 3.611 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.171 -5.028 3.529 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.653 -2.814 2.459 1.00 0.00 C ATOM 0 H VAL A 6 2.729 -1.425 4.068 1.00 0.00 H new ATOM 0 HA VAL A 6 0.714 -2.997 5.187 1.00 0.00 H new ATOM 0 HB VAL A 6 3.048 -4.019 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.334 -5.505 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.474 -5.708 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.114 -4.787 3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.811 -3.328 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.610 -2.508 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.294 -1.933 2.505 1.00 0.00 H new ATOM 110 N LEU A 7 1.711 -4.779 6.679 1.00 0.00 N ATOM 111 CA LEU A 7 2.247 -5.634 7.734 1.00 0.00 C ATOM 112 C LEU A 7 2.690 -6.988 7.181 1.00 0.00 C ATOM 113 O LEU A 7 3.500 -7.682 7.796 1.00 0.00 O ATOM 114 CB LEU A 7 1.205 -5.840 8.839 1.00 0.00 C ATOM 115 CG LEU A 7 -0.211 -6.178 8.358 1.00 0.00 C ATOM 116 CD1 LEU A 7 -0.221 -7.486 7.582 1.00 0.00 C ATOM 117 CD2 LEU A 7 -1.168 -6.256 9.538 1.00 0.00 C ATOM 0 H LEU A 7 0.724 -4.932 6.473 1.00 0.00 H new ATOM 0 HA LEU A 7 3.120 -5.133 8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.548 -6.642 9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.158 -4.934 9.443 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.543 -5.382 7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.236 -7.705 7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.433 -7.399 6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.133 -8.293 8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.169 -6.497 9.179 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.833 -7.031 10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.189 -5.296 10.054 1.00 0.00 H new ATOM 129 N PHE A 8 2.151 -7.364 6.024 1.00 0.00 N ATOM 130 CA PHE A 8 2.491 -8.641 5.402 1.00 0.00 C ATOM 131 C PHE A 8 3.213 -8.434 4.075 1.00 0.00 C ATOM 132 O PHE A 8 3.428 -7.303 3.640 1.00 0.00 O ATOM 133 CB PHE A 8 1.227 -9.476 5.182 1.00 0.00 C ATOM 134 CG PHE A 8 1.365 -10.902 5.634 1.00 0.00 C ATOM 135 CD1 PHE A 8 1.830 -11.198 6.905 1.00 0.00 C ATOM 136 CD2 PHE A 8 1.029 -11.946 4.787 1.00 0.00 C ATOM 137 CE1 PHE A 8 1.958 -12.509 7.323 1.00 0.00 C ATOM 138 CE2 PHE A 8 1.154 -13.259 5.200 1.00 0.00 C ATOM 139 CZ PHE A 8 1.620 -13.541 6.470 1.00 0.00 C ATOM 0 H PHE A 8 1.479 -6.804 5.499 1.00 0.00 H new ATOM 0 HA PHE A 8 3.162 -9.174 6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.397 -9.013 5.716 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.972 -9.462 4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.095 -10.395 7.577 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.665 -11.731 3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.322 -12.726 8.316 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.888 -14.064 4.531 1.00 0.00 H new ATOM 0 HZ PHE A 8 1.720 -14.566 6.795 1.00 0.00 H new ATOM 149 N GLU A 9 3.586 -9.539 3.436 1.00 0.00 N ATOM 150 CA GLU A 9 4.283 -9.486 2.157 1.00 0.00 C ATOM 151 C GLU A 9 3.339 -9.837 1.011 1.00 0.00 C ATOM 152 O GLU A 9 2.496 -10.725 1.139 1.00 0.00 O ATOM 153 CB GLU A 9 5.478 -10.444 2.165 1.00 0.00 C ATOM 154 CG GLU A 9 6.790 -9.782 1.781 1.00 0.00 C ATOM 155 CD GLU A 9 7.014 -9.758 0.282 1.00 0.00 C ATOM 156 OE1 GLU A 9 6.026 -9.591 -0.463 1.00 0.00 O ATOM 157 OE2 GLU A 9 8.178 -9.906 -0.147 1.00 0.00 O ATOM 0 H GLU A 9 3.417 -10.483 3.784 1.00 0.00 H new ATOM 0 HA GLU A 9 4.644 -8.469 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.578 -10.879 3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.280 -11.265 1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.803 -8.761 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.614 -10.312 2.259 1.00 0.00 H new ATOM 164 N TYR A 10 3.485 -9.134 -0.107 1.00 0.00 N ATOM 165 CA TYR A 10 2.644 -9.372 -1.275 1.00 0.00 C ATOM 166 C TYR A 10 3.492 -9.667 -2.508 1.00 0.00 C ATOM 167 O TYR A 10 4.570 -9.098 -2.683 1.00 0.00 O ATOM 168 CB TYR A 10 1.747 -8.161 -1.538 1.00 0.00 C ATOM 169 CG TYR A 10 0.794 -8.352 -2.697 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.286 -9.220 -2.596 1.00 0.00 C ATOM 171 CD2 TYR A 10 0.976 -7.666 -3.891 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.158 -9.398 -3.653 1.00 0.00 C ATOM 173 CE2 TYR A 10 0.108 -7.839 -4.953 1.00 0.00 C ATOM 174 CZ TYR A 10 -0.957 -8.706 -4.828 1.00 0.00 C ATOM 175 OH TYR A 10 -1.824 -8.881 -5.883 1.00 0.00 O ATOM 0 H TYR A 10 4.177 -8.395 -0.229 1.00 0.00 H new ATOM 0 HA TYR A 10 2.020 -10.242 -1.070 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.172 -7.943 -0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.374 -7.291 -1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.447 -9.764 -1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.809 -6.986 -3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.993 -10.076 -3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.263 -7.298 -5.875 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.658 -8.192 -6.560 1.00 0.00 H new ATOM 185 N ILE A 11 2.998 -10.559 -3.360 1.00 0.00 N ATOM 186 CA ILE A 11 3.710 -10.929 -4.577 1.00 0.00 C ATOM 187 C ILE A 11 2.863 -10.646 -5.817 1.00 0.00 C ATOM 188 O ILE A 11 1.898 -11.360 -6.092 1.00 0.00 O ATOM 189 CB ILE A 11 4.099 -12.420 -4.567 1.00 0.00 C ATOM 190 CG1 ILE A 11 4.767 -12.788 -3.241 1.00 0.00 C ATOM 191 CG2 ILE A 11 5.020 -12.735 -5.736 1.00 0.00 C ATOM 192 CD1 ILE A 11 5.996 -11.962 -2.933 1.00 0.00 C ATOM 0 H ILE A 11 2.107 -11.039 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 11 4.616 -10.323 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 11 3.193 -13.017 -4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.045 -12.665 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.044 -13.842 -3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.286 -13.792 -5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.510 -12.507 -6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.925 -12.132 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.417 -12.278 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.736 -12.103 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.722 -10.908 -2.878 1.00 0.00 H new ATOM 204 N PRO A 12 3.211 -9.598 -6.588 1.00 0.00 N ATOM 205 CA PRO A 12 2.472 -9.233 -7.800 1.00 0.00 C ATOM 206 C PRO A 12 2.724 -10.208 -8.946 1.00 0.00 C ATOM 207 O PRO A 12 3.282 -11.286 -8.744 1.00 0.00 O ATOM 208 CB PRO A 12 3.024 -7.849 -8.145 1.00 0.00 C ATOM 209 CG PRO A 12 4.403 -7.845 -7.583 1.00 0.00 C ATOM 210 CD PRO A 12 4.347 -8.689 -6.339 1.00 0.00 C ATOM 0 HA PRO A 12 1.393 -9.251 -7.643 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.034 -7.683 -9.222 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.415 -7.058 -7.707 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.117 -8.252 -8.299 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.727 -6.830 -7.352 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.275 -9.240 -6.186 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.186 -8.081 -5.449 1.00 0.00 H new ATOM 218 N GLN A 13 2.309 -9.821 -10.148 1.00 0.00 N ATOM 219 CA GLN A 13 2.491 -10.662 -11.325 1.00 0.00 C ATOM 220 C GLN A 13 2.394 -9.836 -12.603 1.00 0.00 C ATOM 221 O GLN A 13 3.217 -9.976 -13.508 1.00 0.00 O ATOM 222 CB GLN A 13 1.446 -11.779 -11.344 1.00 0.00 C ATOM 223 CG GLN A 13 1.884 -13.009 -12.122 1.00 0.00 C ATOM 224 CD GLN A 13 1.165 -14.267 -11.675 1.00 0.00 C ATOM 225 OE1 GLN A 13 1.231 -14.652 -10.508 1.00 0.00 O ATOM 226 NE2 GLN A 13 0.475 -14.916 -12.605 1.00 0.00 N ATOM 0 H GLN A 13 1.845 -8.932 -10.332 1.00 0.00 H new ATOM 0 HA GLN A 13 3.486 -11.105 -11.276 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.219 -12.070 -10.318 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.523 -11.394 -11.778 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.700 -12.847 -13.184 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.959 -13.147 -12.002 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.448 -14.561 -13.561 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.028 -15.770 -12.364 1.00 0.00 H new ATOM 235 N ASN A 14 1.383 -8.976 -12.671 1.00 0.00 N ATOM 236 CA ASN A 14 1.177 -8.128 -13.838 1.00 0.00 C ATOM 237 C ASN A 14 1.872 -6.781 -13.663 1.00 0.00 C ATOM 238 O ASN A 14 2.299 -6.430 -12.563 1.00 0.00 O ATOM 239 CB ASN A 14 -0.318 -7.914 -14.082 1.00 0.00 C ATOM 240 CG ASN A 14 -0.949 -9.065 -14.842 1.00 0.00 C ATOM 241 OD1 ASN A 14 -0.465 -9.465 -15.900 1.00 0.00 O ATOM 242 ND2 ASN A 14 -2.038 -9.602 -14.304 1.00 0.00 N ATOM 0 H ASN A 14 0.693 -8.848 -11.930 1.00 0.00 H new ATOM 0 HA ASN A 14 1.611 -8.631 -14.702 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.826 -7.792 -13.125 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.464 -6.990 -14.641 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.508 -10.378 -14.770 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.405 -9.238 -13.424 1.00 0.00 H new ATOM 249 N GLU A 15 1.980 -6.031 -14.755 1.00 0.00 N ATOM 250 CA GLU A 15 2.622 -4.722 -14.724 1.00 0.00 C ATOM 251 C GLU A 15 1.833 -3.746 -13.856 1.00 0.00 C ATOM 252 O GLU A 15 2.389 -2.783 -13.329 1.00 0.00 O ATOM 253 CB GLU A 15 2.759 -4.165 -16.142 1.00 0.00 C ATOM 254 CG GLU A 15 1.430 -3.991 -16.858 1.00 0.00 C ATOM 255 CD GLU A 15 1.099 -5.161 -17.765 1.00 0.00 C ATOM 256 OE1 GLU A 15 1.729 -5.277 -18.837 1.00 0.00 O ATOM 257 OE2 GLU A 15 0.211 -5.960 -17.402 1.00 0.00 O ATOM 0 H GLU A 15 1.631 -6.308 -15.673 1.00 0.00 H new ATOM 0 HA GLU A 15 3.614 -4.843 -14.290 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.267 -3.202 -16.098 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.392 -4.833 -16.726 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.637 -3.872 -16.120 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.456 -3.075 -17.448 1.00 0.00 H new ATOM 264 N ASP A 16 0.536 -4.000 -13.713 1.00 0.00 N ATOM 265 CA ASP A 16 -0.327 -3.141 -12.910 1.00 0.00 C ATOM 266 C ASP A 16 -0.439 -3.661 -11.479 1.00 0.00 C ATOM 267 O ASP A 16 -1.525 -3.685 -10.899 1.00 0.00 O ATOM 268 CB ASP A 16 -1.717 -3.047 -13.542 1.00 0.00 C ATOM 269 CG ASP A 16 -2.380 -4.403 -13.684 1.00 0.00 C ATOM 270 OD1 ASP A 16 -2.023 -5.142 -14.626 1.00 0.00 O ATOM 271 OD2 ASP A 16 -3.255 -4.726 -12.854 1.00 0.00 O ATOM 0 H ASP A 16 0.060 -4.793 -14.142 1.00 0.00 H new ATOM 0 HA ASP A 16 0.120 -2.147 -12.880 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.347 -2.399 -12.932 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.636 -2.581 -14.524 1.00 0.00 H new ATOM 276 N GLU A 17 0.691 -4.076 -10.914 1.00 0.00 N ATOM 277 CA GLU A 17 0.719 -4.593 -9.551 1.00 0.00 C ATOM 278 C GLU A 17 2.004 -4.182 -8.840 1.00 0.00 C ATOM 279 O GLU A 17 3.100 -4.327 -9.383 1.00 0.00 O ATOM 280 CB GLU A 17 0.592 -6.118 -9.559 1.00 0.00 C ATOM 281 CG GLU A 17 -0.743 -6.612 -10.093 1.00 0.00 C ATOM 282 CD GLU A 17 -1.333 -7.726 -9.251 1.00 0.00 C ATOM 283 OE1 GLU A 17 -0.851 -8.873 -9.361 1.00 0.00 O ATOM 284 OE2 GLU A 17 -2.277 -7.451 -8.481 1.00 0.00 O ATOM 0 H GLU A 17 1.599 -4.064 -11.379 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.126 -4.168 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.395 -6.538 -10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.729 -6.492 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.445 -5.779 -10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.612 -6.965 -11.116 1.00 0.00 H new ATOM 291 N LEU A 18 1.863 -3.668 -7.623 1.00 0.00 N ATOM 292 CA LEU A 18 3.014 -3.236 -6.838 1.00 0.00 C ATOM 293 C LEU A 18 3.428 -4.313 -5.842 1.00 0.00 C ATOM 294 O LEU A 18 2.666 -5.238 -5.559 1.00 0.00 O ATOM 295 CB LEU A 18 2.692 -1.936 -6.098 1.00 0.00 C ATOM 296 CG LEU A 18 3.911 -1.126 -5.651 1.00 0.00 C ATOM 297 CD1 LEU A 18 3.647 0.366 -5.795 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.279 -1.471 -4.215 1.00 0.00 C ATOM 0 H LEU A 18 0.964 -3.540 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 18 3.845 -3.061 -7.522 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.077 -1.311 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.092 -2.175 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 18 4.752 -1.385 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.526 0.924 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.433 0.599 -6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.793 0.646 -5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.148 -0.887 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.440 -1.240 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.513 -2.533 -4.145 1.00 0.00 H new ATOM 310 N GLU A 19 4.641 -4.189 -5.313 1.00 0.00 N ATOM 311 CA GLU A 19 5.157 -5.154 -4.349 1.00 0.00 C ATOM 312 C GLU A 19 5.084 -4.599 -2.930 1.00 0.00 C ATOM 313 O GLU A 19 5.855 -3.715 -2.557 1.00 0.00 O ATOM 314 CB GLU A 19 6.602 -5.525 -4.694 1.00 0.00 C ATOM 315 CG GLU A 19 6.848 -7.024 -4.746 1.00 0.00 C ATOM 316 CD GLU A 19 7.529 -7.459 -6.030 1.00 0.00 C ATOM 317 OE1 GLU A 19 8.168 -6.607 -6.681 1.00 0.00 O ATOM 318 OE2 GLU A 19 7.422 -8.653 -6.383 1.00 0.00 O ATOM 0 H GLU A 19 5.285 -3.430 -5.536 1.00 0.00 H new ATOM 0 HA GLU A 19 4.537 -6.049 -4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.860 -5.089 -5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.269 -5.081 -3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.463 -7.317 -3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.897 -7.548 -4.648 1.00 0.00 H new ATOM 325 N LEU A 20 4.152 -5.127 -2.142 1.00 0.00 N ATOM 326 CA LEU A 20 3.978 -4.687 -0.762 1.00 0.00 C ATOM 327 C LEU A 20 4.779 -5.563 0.195 1.00 0.00 C ATOM 328 O LEU A 20 4.267 -6.547 0.729 1.00 0.00 O ATOM 329 CB LEU A 20 2.497 -4.718 -0.379 1.00 0.00 C ATOM 330 CG LEU A 20 1.617 -3.710 -1.119 1.00 0.00 C ATOM 331 CD1 LEU A 20 0.169 -3.835 -0.669 1.00 0.00 C ATOM 332 CD2 LEU A 20 2.129 -2.293 -0.898 1.00 0.00 C ATOM 0 H LEU A 20 3.506 -5.860 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 20 4.347 -3.664 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.110 -5.720 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.410 -4.536 0.692 1.00 0.00 H new ATOM 0 HG LEU A 20 1.663 -3.928 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.443 -3.110 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.192 -4.842 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.103 -3.643 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.491 -1.588 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.113 -2.062 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.150 -2.213 -1.271 1.00 0.00 H new ATOM 344 N LYS A 21 6.038 -5.196 0.410 1.00 0.00 N ATOM 345 CA LYS A 21 6.909 -5.948 1.306 1.00 0.00 C ATOM 346 C LYS A 21 6.773 -5.448 2.741 1.00 0.00 C ATOM 347 O LYS A 21 6.561 -4.258 2.976 1.00 0.00 O ATOM 348 CB LYS A 21 8.365 -5.834 0.851 1.00 0.00 C ATOM 349 CG LYS A 21 9.241 -6.984 1.321 1.00 0.00 C ATOM 350 CD LYS A 21 10.061 -6.597 2.542 1.00 0.00 C ATOM 351 CE LYS A 21 11.462 -6.152 2.154 1.00 0.00 C ATOM 352 NZ LYS A 21 12.073 -5.275 3.191 1.00 0.00 N ATOM 0 H LYS A 21 6.477 -4.384 -0.023 1.00 0.00 H new ATOM 0 HA LYS A 21 6.606 -6.995 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.394 -5.787 -0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.780 -4.897 1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.616 -7.845 1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.908 -7.288 0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.558 -5.793 3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.123 -7.445 3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.092 -7.028 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.424 -5.619 1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.027 -4.993 2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.485 -4.426 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.133 -5.792 4.091 1.00 0.00 H new ATOM 366 N VAL A 22 6.896 -6.363 3.697 1.00 0.00 N ATOM 367 CA VAL A 22 6.788 -6.018 5.105 1.00 0.00 C ATOM 368 C VAL A 22 7.795 -4.938 5.485 1.00 0.00 C ATOM 369 O VAL A 22 8.986 -5.059 5.200 1.00 0.00 O ATOM 370 CB VAL A 22 7.017 -7.254 5.990 1.00 0.00 C ATOM 371 CG1 VAL A 22 5.858 -8.230 5.856 1.00 0.00 C ATOM 372 CG2 VAL A 22 8.336 -7.926 5.639 1.00 0.00 C ATOM 0 H VAL A 22 7.071 -7.352 3.519 1.00 0.00 H new ATOM 0 HA VAL A 22 5.780 -5.638 5.269 1.00 0.00 H new ATOM 0 HB VAL A 22 7.068 -6.929 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.038 -9.098 6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.934 -7.742 6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.770 -8.551 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.481 -8.799 6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.319 -8.238 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.155 -7.224 5.795 1.00 0.00 H new ATOM 382 N GLY A 23 7.309 -3.881 6.127 1.00 0.00 N ATOM 383 CA GLY A 23 8.185 -2.796 6.531 1.00 0.00 C ATOM 384 C GLY A 23 8.184 -1.642 5.544 1.00 0.00 C ATOM 385 O GLY A 23 8.799 -0.606 5.796 1.00 0.00 O ATOM 0 H GLY A 23 6.327 -3.756 6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.876 -2.431 7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.201 -3.176 6.638 1.00 0.00 H new ATOM 389 N ASP A 24 7.498 -1.818 4.417 1.00 0.00 N ATOM 390 CA ASP A 24 7.433 -0.779 3.395 1.00 0.00 C ATOM 391 C ASP A 24 6.211 0.112 3.592 1.00 0.00 C ATOM 392 O ASP A 24 5.108 -0.375 3.844 1.00 0.00 O ATOM 393 CB ASP A 24 7.398 -1.409 2.002 1.00 0.00 C ATOM 394 CG ASP A 24 8.165 -0.594 0.979 1.00 0.00 C ATOM 395 OD1 ASP A 24 7.599 0.391 0.459 1.00 0.00 O ATOM 396 OD2 ASP A 24 9.332 -0.940 0.698 1.00 0.00 O ATOM 0 H ASP A 24 6.981 -2.668 4.190 1.00 0.00 H new ATOM 0 HA ASP A 24 8.326 -0.161 3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.817 -2.414 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.362 -1.511 1.678 1.00 0.00 H new ATOM 401 N ILE A 25 6.414 1.420 3.470 1.00 0.00 N ATOM 402 CA ILE A 25 5.330 2.382 3.630 1.00 0.00 C ATOM 403 C ILE A 25 5.073 3.134 2.327 1.00 0.00 C ATOM 404 O ILE A 25 5.979 3.747 1.764 1.00 0.00 O ATOM 405 CB ILE A 25 5.638 3.397 4.750 1.00 0.00 C ATOM 406 CG1 ILE A 25 4.422 4.288 5.010 1.00 0.00 C ATOM 407 CG2 ILE A 25 6.851 4.242 4.388 1.00 0.00 C ATOM 408 CD1 ILE A 25 4.471 5.004 6.342 1.00 0.00 C ATOM 0 H ILE A 25 7.320 1.838 3.261 1.00 0.00 H new ATOM 0 HA ILE A 25 4.439 1.817 3.903 1.00 0.00 H new ATOM 0 HB ILE A 25 5.865 2.846 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.346 5.027 4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.519 3.678 4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.052 4.952 5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.717 3.595 4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.653 4.785 3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.577 5.617 6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.516 4.271 7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.355 5.640 6.381 1.00 0.00 H new ATOM 420 N ILE A 26 3.833 3.081 1.853 1.00 0.00 N ATOM 421 CA ILE A 26 3.460 3.755 0.615 1.00 0.00 C ATOM 422 C ILE A 26 2.435 4.855 0.873 1.00 0.00 C ATOM 423 O ILE A 26 1.506 4.679 1.661 1.00 0.00 O ATOM 424 CB ILE A 26 2.884 2.762 -0.412 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.801 1.546 -0.548 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.695 3.443 -1.760 1.00 0.00 C ATOM 427 CD1 ILE A 26 3.222 0.447 -1.412 1.00 0.00 C ATOM 0 H ILE A 26 3.070 2.579 2.307 1.00 0.00 H new ATOM 0 HA ILE A 26 4.369 4.199 0.210 1.00 0.00 H new ATOM 0 HB ILE A 26 1.910 2.422 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.754 1.865 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.010 1.146 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.287 2.728 -2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.006 4.280 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.656 3.809 -2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.926 -0.384 -1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.283 0.101 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.039 0.831 -2.416 1.00 0.00 H new ATOM 439 N ASP A 27 2.610 5.988 0.200 1.00 0.00 N ATOM 440 CA ASP A 27 1.700 7.117 0.354 1.00 0.00 C ATOM 441 C ASP A 27 0.412 6.885 -0.429 1.00 0.00 C ATOM 442 O ASP A 27 0.436 6.728 -1.650 1.00 0.00 O ATOM 443 CB ASP A 27 2.372 8.408 -0.116 1.00 0.00 C ATOM 444 CG ASP A 27 1.604 9.645 0.305 1.00 0.00 C ATOM 445 OD1 ASP A 27 0.362 9.564 0.416 1.00 0.00 O ATOM 446 OD2 ASP A 27 2.244 10.695 0.523 1.00 0.00 O ATOM 0 H ASP A 27 3.374 6.148 -0.457 1.00 0.00 H new ATOM 0 HA ASP A 27 1.450 7.211 1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.383 8.456 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.463 8.392 -1.202 1.00 0.00 H new ATOM 451 N ILE A 28 -0.710 6.865 0.282 1.00 0.00 N ATOM 452 CA ILE A 28 -2.008 6.651 -0.347 1.00 0.00 C ATOM 453 C ILE A 28 -2.580 7.957 -0.887 1.00 0.00 C ATOM 454 O ILE A 28 -2.531 8.991 -0.221 1.00 0.00 O ATOM 455 CB ILE A 28 -3.015 6.030 0.640 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.210 6.944 1.852 1.00 0.00 C ATOM 457 CG2 ILE A 28 -2.543 4.652 1.080 1.00 0.00 C ATOM 458 CD1 ILE A 28 -4.289 6.468 2.800 1.00 0.00 C ATOM 0 H ILE A 28 -0.747 6.994 1.293 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.848 5.959 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.975 5.921 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.268 7.020 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.459 7.947 1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.264 4.226 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.453 4.003 0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.573 4.739 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.372 7.163 3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.241 6.419 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.032 5.478 3.177 1.00 0.00 H new ATOM 470 N ASN A 29 -3.124 7.902 -2.098 1.00 0.00 N ATOM 471 CA ASN A 29 -3.706 9.081 -2.728 1.00 0.00 C ATOM 472 C ASN A 29 -5.230 9.022 -2.686 1.00 0.00 C ATOM 473 O ASN A 29 -5.892 10.018 -2.394 1.00 0.00 O ATOM 474 CB ASN A 29 -3.228 9.200 -4.176 1.00 0.00 C ATOM 475 CG ASN A 29 -3.624 8.003 -5.018 1.00 0.00 C ATOM 476 OD1 ASN A 29 -4.601 8.051 -5.765 1.00 0.00 O ATOM 477 ND2 ASN A 29 -2.864 6.920 -4.903 1.00 0.00 N ATOM 0 H ASN A 29 -3.174 7.054 -2.662 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.378 9.959 -2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.643 10.105 -4.619 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.143 9.307 -4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.081 6.084 -5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.063 6.924 -4.271 1.00 0.00 H new ATOM 484 N GLU A 30 -5.781 7.848 -2.978 1.00 0.00 N ATOM 485 CA GLU A 30 -7.227 7.660 -2.972 1.00 0.00 C ATOM 486 C GLU A 30 -7.584 6.177 -3.032 1.00 0.00 C ATOM 487 O GLU A 30 -6.750 5.342 -3.382 1.00 0.00 O ATOM 488 CB GLU A 30 -7.864 8.400 -4.150 1.00 0.00 C ATOM 489 CG GLU A 30 -7.474 7.836 -5.508 1.00 0.00 C ATOM 490 CD GLU A 30 -7.100 8.918 -6.503 1.00 0.00 C ATOM 491 OE1 GLU A 30 -6.447 9.901 -6.093 1.00 0.00 O ATOM 492 OE2 GLU A 30 -7.459 8.781 -7.691 1.00 0.00 O ATOM 0 H GLU A 30 -5.248 7.013 -3.222 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.618 8.071 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.949 8.362 -4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.577 9.450 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.633 7.153 -5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.303 7.252 -5.907 1.00 0.00 H new ATOM 499 N GLU A 31 -8.827 5.859 -2.688 1.00 0.00 N ATOM 500 CA GLU A 31 -9.295 4.477 -2.704 1.00 0.00 C ATOM 501 C GLU A 31 -10.338 4.269 -3.797 1.00 0.00 C ATOM 502 O GLU A 31 -11.266 5.065 -3.943 1.00 0.00 O ATOM 503 CB GLU A 31 -9.882 4.100 -1.342 1.00 0.00 C ATOM 504 CG GLU A 31 -10.985 5.036 -0.876 1.00 0.00 C ATOM 505 CD GLU A 31 -10.448 6.253 -0.149 1.00 0.00 C ATOM 506 OE1 GLU A 31 -9.492 6.100 0.640 1.00 0.00 O ATOM 507 OE2 GLU A 31 -10.985 7.360 -0.368 1.00 0.00 O ATOM 0 H GLU A 31 -9.529 6.539 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.442 3.832 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.276 3.085 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.083 4.095 -0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.569 5.360 -1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.663 4.493 -0.217 1.00 0.00 H new ATOM 514 N VAL A 32 -10.179 3.195 -4.563 1.00 0.00 N ATOM 515 CA VAL A 32 -11.107 2.884 -5.644 1.00 0.00 C ATOM 516 C VAL A 32 -12.434 2.365 -5.098 1.00 0.00 C ATOM 517 O VAL A 32 -13.504 2.752 -5.569 1.00 0.00 O ATOM 518 CB VAL A 32 -10.514 1.840 -6.611 1.00 0.00 C ATOM 519 CG1 VAL A 32 -10.253 0.525 -5.892 1.00 0.00 C ATOM 520 CG2 VAL A 32 -11.437 1.630 -7.803 1.00 0.00 C ATOM 0 H VAL A 32 -9.417 2.526 -4.455 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.282 3.812 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.561 2.218 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.835 -0.197 -6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.548 0.690 -5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.189 0.139 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.002 0.890 -8.474 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.407 1.277 -7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.564 2.573 -8.335 1.00 0.00 H new ATOM 530 N GLU A 33 -12.357 1.488 -4.102 1.00 0.00 N ATOM 531 CA GLU A 33 -13.553 0.917 -3.494 1.00 0.00 C ATOM 532 C GLU A 33 -13.192 0.043 -2.297 1.00 0.00 C ATOM 533 O GLU A 33 -12.024 -0.067 -1.926 1.00 0.00 O ATOM 534 CB GLU A 33 -14.331 0.095 -4.523 1.00 0.00 C ATOM 535 CG GLU A 33 -13.515 -1.021 -5.153 1.00 0.00 C ATOM 536 CD GLU A 33 -14.316 -2.295 -5.340 1.00 0.00 C ATOM 537 OE1 GLU A 33 -15.012 -2.704 -4.387 1.00 0.00 O ATOM 538 OE2 GLU A 33 -14.246 -2.884 -6.439 1.00 0.00 O ATOM 0 H GLU A 33 -11.480 1.158 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.179 1.738 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.210 -0.335 -4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.691 0.759 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.137 -0.689 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.648 -1.230 -4.527 1.00 0.00 H new ATOM 545 N GLU A 34 -14.204 -0.576 -1.696 1.00 0.00 N ATOM 546 CA GLU A 34 -13.993 -1.440 -0.541 1.00 0.00 C ATOM 547 C GLU A 34 -13.431 -2.793 -0.968 1.00 0.00 C ATOM 548 O GLU A 34 -14.139 -3.800 -0.969 1.00 0.00 O ATOM 549 CB GLU A 34 -15.305 -1.637 0.222 1.00 0.00 C ATOM 550 CG GLU A 34 -16.462 -2.072 -0.661 1.00 0.00 C ATOM 551 CD GLU A 34 -17.467 -2.935 0.078 1.00 0.00 C ATOM 552 OE1 GLU A 34 -17.082 -4.027 0.545 1.00 0.00 O ATOM 553 OE2 GLU A 34 -18.638 -2.517 0.191 1.00 0.00 O ATOM 0 H GLU A 34 -15.177 -0.495 -1.990 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.269 -0.957 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.154 -2.383 1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.570 -0.704 0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.966 -1.189 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.074 -2.625 -1.516 1.00 0.00 H new ATOM 560 N GLY A 35 -12.153 -2.807 -1.331 1.00 0.00 N ATOM 561 CA GLY A 35 -11.515 -4.040 -1.757 1.00 0.00 C ATOM 562 C GLY A 35 -10.088 -3.822 -2.220 1.00 0.00 C ATOM 563 O GLY A 35 -9.191 -4.589 -1.871 1.00 0.00 O ATOM 0 H GLY A 35 -11.547 -1.987 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.522 -4.753 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.093 -4.484 -2.567 1.00 0.00 H new ATOM 567 N TRP A 36 -9.878 -2.773 -3.007 1.00 0.00 N ATOM 568 CA TRP A 36 -8.550 -2.453 -3.519 1.00 0.00 C ATOM 569 C TRP A 36 -8.155 -1.028 -3.149 1.00 0.00 C ATOM 570 O TRP A 36 -9.006 -0.144 -3.048 1.00 0.00 O ATOM 571 CB TRP A 36 -8.510 -2.628 -5.038 1.00 0.00 C ATOM 572 CG TRP A 36 -9.083 -3.931 -5.504 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.357 -4.158 -5.938 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.402 -5.190 -5.581 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.510 -5.479 -6.282 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.325 -6.133 -6.071 1.00 0.00 C ATOM 577 CE3 TRP A 36 -7.102 -5.610 -5.285 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -8.989 -7.470 -6.271 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -6.770 -6.937 -5.484 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.710 -7.853 -5.973 1.00 0.00 C ATOM 0 H TRP A 36 -10.611 -2.129 -3.305 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.836 -3.139 -3.063 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.060 -1.811 -5.505 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.477 -2.552 -5.378 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.132 -3.408 -6.002 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.367 -5.904 -6.637 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.371 -4.911 -4.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -9.712 -8.178 -6.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.769 -7.273 -5.259 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.419 -8.883 -6.118 1.00 0.00 H new ATOM 591 N TRP A 37 -6.860 -0.809 -2.950 1.00 0.00 N ATOM 592 CA TRP A 37 -6.353 0.511 -2.592 1.00 0.00 C ATOM 593 C TRP A 37 -5.244 0.944 -3.546 1.00 0.00 C ATOM 594 O TRP A 37 -4.603 0.111 -4.187 1.00 0.00 O ATOM 595 CB TRP A 37 -5.834 0.508 -1.152 1.00 0.00 C ATOM 596 CG TRP A 37 -6.787 1.128 -0.175 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.149 1.044 -0.191 1.00 0.00 C ATOM 598 CD2 TRP A 37 -6.447 1.927 0.963 1.00 0.00 C ATOM 599 NE1 TRP A 37 -8.678 1.743 0.867 1.00 0.00 N ATOM 600 CE2 TRP A 37 -7.653 2.294 1.591 1.00 0.00 C ATOM 601 CE3 TRP A 37 -5.241 2.368 1.514 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -7.686 3.080 2.739 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -5.274 3.149 2.654 1.00 0.00 C ATOM 604 CH2 TRP A 37 -6.490 3.498 3.256 1.00 0.00 C ATOM 0 H TRP A 37 -6.142 -1.529 -3.031 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.174 1.223 -2.672 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.631 -0.519 -0.849 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.886 1.045 -1.114 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.727 0.506 -0.928 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -9.671 1.837 1.079 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.299 2.103 1.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -8.622 3.350 3.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.348 3.496 3.088 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.483 4.109 4.146 1.00 0.00 H new ATOM 615 N SER A 38 -5.024 2.251 -3.635 1.00 0.00 N ATOM 616 CA SER A 38 -3.992 2.795 -4.510 1.00 0.00 C ATOM 617 C SER A 38 -3.006 3.650 -3.722 1.00 0.00 C ATOM 618 O SER A 38 -3.388 4.350 -2.784 1.00 0.00 O ATOM 619 CB SER A 38 -4.626 3.626 -5.626 1.00 0.00 C ATOM 620 OG SER A 38 -3.736 3.776 -6.719 1.00 0.00 O ATOM 0 H SER A 38 -5.547 2.954 -3.112 1.00 0.00 H new ATOM 0 HA SER A 38 -3.449 1.960 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.544 3.146 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.902 4.607 -5.241 1.00 0.00 H new ATOM 0 HG SER A 38 -4.166 4.310 -7.420 1.00 0.00 H new ATOM 626 N GLY A 39 -1.736 3.589 -4.108 1.00 0.00 N ATOM 627 CA GLY A 39 -0.716 4.364 -3.426 1.00 0.00 C ATOM 628 C GLY A 39 0.426 4.756 -4.342 1.00 0.00 C ATOM 629 O GLY A 39 0.377 4.511 -5.547 1.00 0.00 O ATOM 0 H GLY A 39 -1.395 3.017 -4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.167 5.264 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.324 3.786 -2.589 1.00 0.00 H new ATOM 633 N THR A 40 1.458 5.367 -3.769 1.00 0.00 N ATOM 634 CA THR A 40 2.619 5.795 -4.541 1.00 0.00 C ATOM 635 C THR A 40 3.842 5.950 -3.643 1.00 0.00 C ATOM 636 O THR A 40 3.913 6.870 -2.828 1.00 0.00 O ATOM 637 CB THR A 40 2.325 7.117 -5.252 1.00 0.00 C ATOM 638 OG1 THR A 40 1.166 7.005 -6.060 1.00 0.00 O ATOM 639 CG2 THR A 40 3.459 7.585 -6.139 1.00 0.00 C ATOM 0 H THR A 40 1.514 5.577 -2.772 1.00 0.00 H new ATOM 0 HA THR A 40 2.832 5.028 -5.286 1.00 0.00 H new ATOM 0 HB THR A 40 2.183 7.848 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.945 6.059 -6.186 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.185 8.528 -6.613 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.356 7.729 -5.537 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.653 6.836 -6.907 1.00 0.00 H new ATOM 647 N LEU A 41 4.803 5.045 -3.798 1.00 0.00 N ATOM 648 CA LEU A 41 6.024 5.082 -3.000 1.00 0.00 C ATOM 649 C LEU A 41 6.838 6.334 -3.310 1.00 0.00 C ATOM 650 O LEU A 41 6.998 7.209 -2.459 1.00 0.00 O ATOM 651 CB LEU A 41 6.867 3.833 -3.262 1.00 0.00 C ATOM 652 CG LEU A 41 7.995 3.591 -2.257 1.00 0.00 C ATOM 653 CD1 LEU A 41 7.487 2.786 -1.071 1.00 0.00 C ATOM 654 CD2 LEU A 41 9.161 2.880 -2.926 1.00 0.00 C ATOM 0 H LEU A 41 4.760 4.277 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 41 5.741 5.106 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.210 2.963 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.300 3.908 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 41 8.346 4.556 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.302 2.623 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.684 3.333 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.110 1.824 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.954 2.716 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.825 1.920 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.541 3.493 -3.743 1.00 0.00 H new ATOM 666 N ASN A 42 7.352 6.412 -4.533 1.00 0.00 N ATOM 667 CA ASN A 42 8.151 7.556 -4.955 1.00 0.00 C ATOM 668 C ASN A 42 7.635 8.121 -6.274 1.00 0.00 C ATOM 669 O ASN A 42 7.077 9.218 -6.315 1.00 0.00 O ATOM 670 CB ASN A 42 9.621 7.156 -5.096 1.00 0.00 C ATOM 671 CG ASN A 42 10.562 8.212 -4.549 1.00 0.00 C ATOM 672 OD1 ASN A 42 10.717 8.353 -3.336 1.00 0.00 O ATOM 673 ND2 ASN A 42 11.195 8.961 -5.443 1.00 0.00 N ATOM 0 H ASN A 42 7.229 5.696 -5.249 1.00 0.00 H new ATOM 0 HA ASN A 42 8.066 8.329 -4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.791 6.215 -4.572 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.848 6.981 -6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.840 9.688 -5.134 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.036 8.810 -6.439 1.00 0.00 H new ATOM 680 N ASN A 43 7.822 7.364 -7.350 1.00 0.00 N ATOM 681 CA ASN A 43 7.374 7.790 -8.671 1.00 0.00 C ATOM 682 C ASN A 43 6.703 6.639 -9.416 1.00 0.00 C ATOM 683 O ASN A 43 6.693 6.606 -10.647 1.00 0.00 O ATOM 684 CB ASN A 43 8.555 8.325 -9.485 1.00 0.00 C ATOM 685 CG ASN A 43 8.391 9.788 -9.847 1.00 0.00 C ATOM 686 OD1 ASN A 43 8.365 10.657 -8.975 1.00 0.00 O ATOM 687 ND2 ASN A 43 8.278 10.069 -11.140 1.00 0.00 N ATOM 0 H ASN A 43 8.280 6.453 -7.333 1.00 0.00 H new ATOM 0 HA ASN A 43 6.642 8.587 -8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.475 8.195 -8.914 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.660 7.737 -10.397 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.164 11.036 -11.444 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.305 9.318 -11.829 1.00 0.00 H new ATOM 694 N LYS A 44 6.143 5.697 -8.663 1.00 0.00 N ATOM 695 CA LYS A 44 5.469 4.546 -9.254 1.00 0.00 C ATOM 696 C LYS A 44 4.063 4.389 -8.683 1.00 0.00 C ATOM 697 O LYS A 44 3.835 4.628 -7.497 1.00 0.00 O ATOM 698 CB LYS A 44 6.282 3.272 -9.009 1.00 0.00 C ATOM 699 CG LYS A 44 6.690 2.556 -10.286 1.00 0.00 C ATOM 700 CD LYS A 44 7.831 3.276 -10.987 1.00 0.00 C ATOM 701 CE LYS A 44 8.484 2.393 -12.038 1.00 0.00 C ATOM 702 NZ LYS A 44 7.674 2.322 -13.286 1.00 0.00 N ATOM 0 H LYS A 44 6.143 5.708 -7.643 1.00 0.00 H new ATOM 0 HA LYS A 44 5.387 4.713 -10.328 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.178 3.526 -8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.697 2.591 -8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.992 1.535 -10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.833 2.489 -10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.455 4.185 -11.456 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.576 3.581 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.476 2.779 -12.271 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.619 1.389 -11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.154 1.710 -13.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.736 1.930 -13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.566 3.276 -13.685 1.00 0.00 H new ATOM 716 N LEU A 45 3.124 3.988 -9.533 1.00 0.00 N ATOM 717 CA LEU A 45 1.741 3.801 -9.111 1.00 0.00 C ATOM 718 C LEU A 45 1.253 2.395 -9.444 1.00 0.00 C ATOM 719 O LEU A 45 1.316 1.961 -10.595 1.00 0.00 O ATOM 720 CB LEU A 45 0.837 4.838 -9.781 1.00 0.00 C ATOM 721 CG LEU A 45 -0.464 5.141 -9.035 1.00 0.00 C ATOM 722 CD1 LEU A 45 -0.872 6.591 -9.242 1.00 0.00 C ATOM 723 CD2 LEU A 45 -1.570 4.203 -9.493 1.00 0.00 C ATOM 0 H LEU A 45 3.295 3.786 -10.518 1.00 0.00 H new ATOM 0 HA LEU A 45 1.698 3.934 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.397 5.766 -9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.590 4.489 -10.784 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.297 4.981 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.799 6.788 -8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.087 7.247 -8.865 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.022 6.778 -10.305 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.488 4.432 -8.952 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.737 4.332 -10.562 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.279 3.172 -9.293 1.00 0.00 H new ATOM 735 N GLY A 46 0.766 1.688 -8.430 1.00 0.00 N ATOM 736 CA GLY A 46 0.274 0.338 -8.634 1.00 0.00 C ATOM 737 C GLY A 46 -1.021 0.075 -7.891 1.00 0.00 C ATOM 738 O GLY A 46 -1.617 0.993 -7.326 1.00 0.00 O ATOM 0 H GLY A 46 0.703 2.026 -7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.119 0.168 -9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.030 -0.375 -8.304 1.00 0.00 H new ATOM 742 N LEU A 47 -1.458 -1.180 -7.891 1.00 0.00 N ATOM 743 CA LEU A 47 -2.691 -1.559 -7.211 1.00 0.00 C ATOM 744 C LEU A 47 -2.517 -2.876 -6.462 1.00 0.00 C ATOM 745 O LEU A 47 -1.750 -3.743 -6.881 1.00 0.00 O ATOM 746 CB LEU A 47 -3.838 -1.678 -8.217 1.00 0.00 C ATOM 747 CG LEU A 47 -4.101 -0.421 -9.050 1.00 0.00 C ATOM 748 CD1 LEU A 47 -3.560 -0.592 -10.462 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.589 -0.104 -9.083 1.00 0.00 C ATOM 0 H LEU A 47 -0.977 -1.951 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.931 -0.780 -6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.624 -2.506 -8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.749 -1.935 -7.677 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.581 0.415 -8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.756 0.312 -11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.485 -0.770 -10.421 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.050 -1.441 -10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.757 0.793 -9.680 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.130 -0.941 -9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.948 0.063 -8.068 1.00 0.00 H new ATOM 761 N PHE A 48 -3.235 -3.019 -5.353 1.00 0.00 N ATOM 762 CA PHE A 48 -3.161 -4.232 -4.545 1.00 0.00 C ATOM 763 C PHE A 48 -4.306 -4.285 -3.535 1.00 0.00 C ATOM 764 O PHE A 48 -4.953 -3.274 -3.264 1.00 0.00 O ATOM 765 CB PHE A 48 -1.817 -4.313 -3.814 1.00 0.00 C ATOM 766 CG PHE A 48 -1.242 -2.973 -3.445 1.00 0.00 C ATOM 767 CD1 PHE A 48 -2.037 -1.997 -2.866 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.095 -2.692 -3.678 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.510 -0.766 -2.527 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.628 -1.463 -3.341 1.00 0.00 C ATOM 771 CZ PHE A 48 -0.176 -0.498 -2.765 1.00 0.00 C ATOM 0 H PHE A 48 -3.875 -2.311 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.249 -5.086 -5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.943 -4.905 -2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.103 -4.843 -4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.081 -2.201 -2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.728 -3.443 -4.128 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.140 -0.014 -2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.672 -1.257 -3.527 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.238 0.464 -2.501 1.00 0.00 H new ATOM 781 N PRO A 49 -4.572 -5.473 -2.966 1.00 0.00 N ATOM 782 CA PRO A 49 -5.646 -5.656 -1.983 1.00 0.00 C ATOM 783 C PRO A 49 -5.478 -4.750 -0.767 1.00 0.00 C ATOM 784 O PRO A 49 -4.427 -4.742 -0.126 1.00 0.00 O ATOM 785 CB PRO A 49 -5.518 -7.127 -1.573 1.00 0.00 C ATOM 786 CG PRO A 49 -4.780 -7.777 -2.693 1.00 0.00 C ATOM 787 CD PRO A 49 -3.851 -6.729 -3.235 1.00 0.00 C ATOM 0 HA PRO A 49 -6.621 -5.402 -2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.977 -7.229 -0.632 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.497 -7.583 -1.428 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.225 -8.647 -2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.467 -8.126 -3.463 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.882 -6.752 -2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.665 -6.867 -4.300 1.00 0.00 H new ATOM 795 N SER A 50 -6.522 -3.990 -0.455 1.00 0.00 N ATOM 796 CA SER A 50 -6.494 -3.080 0.685 1.00 0.00 C ATOM 797 C SER A 50 -6.361 -3.847 1.999 1.00 0.00 C ATOM 798 O SER A 50 -5.962 -3.284 3.018 1.00 0.00 O ATOM 799 CB SER A 50 -7.759 -2.221 0.709 1.00 0.00 C ATOM 800 OG SER A 50 -8.895 -2.974 0.320 1.00 0.00 O ATOM 0 H SER A 50 -7.399 -3.986 -0.976 1.00 0.00 H new ATOM 0 HA SER A 50 -5.623 -2.433 0.576 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.911 -1.820 1.711 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.637 -1.369 0.040 1.00 0.00 H new ATOM 0 HG SER A 50 -9.691 -2.402 0.345 1.00 0.00 H new ATOM 806 N ASN A 51 -6.701 -5.133 1.971 1.00 0.00 N ATOM 807 CA ASN A 51 -6.622 -5.971 3.162 1.00 0.00 C ATOM 808 C ASN A 51 -5.185 -6.080 3.663 1.00 0.00 C ATOM 809 O ASN A 51 -4.948 -6.256 4.858 1.00 0.00 O ATOM 810 CB ASN A 51 -7.177 -7.365 2.865 1.00 0.00 C ATOM 811 CG ASN A 51 -8.616 -7.325 2.390 1.00 0.00 C ATOM 812 OD1 ASN A 51 -8.958 -7.899 1.356 1.00 0.00 O ATOM 813 ND2 ASN A 51 -9.470 -6.643 3.146 1.00 0.00 N ATOM 0 H ASN A 51 -7.034 -5.616 1.137 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.222 -5.504 3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.560 -7.845 2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.111 -7.978 3.764 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.452 -6.580 2.877 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.144 -6.182 3.995 1.00 0.00 H new ATOM 820 N PHE A 52 -4.229 -5.976 2.746 1.00 0.00 N ATOM 821 CA PHE A 52 -2.817 -6.065 3.103 1.00 0.00 C ATOM 822 C PHE A 52 -2.373 -4.827 3.884 1.00 0.00 C ATOM 823 O PHE A 52 -2.402 -4.830 5.113 1.00 0.00 O ATOM 824 CB PHE A 52 -1.960 -6.242 1.847 1.00 0.00 C ATOM 825 CG PHE A 52 -1.909 -7.657 1.346 1.00 0.00 C ATOM 826 CD1 PHE A 52 -3.066 -8.308 0.948 1.00 0.00 C ATOM 827 CD2 PHE A 52 -0.704 -8.337 1.273 1.00 0.00 C ATOM 828 CE1 PHE A 52 -3.022 -9.610 0.487 1.00 0.00 C ATOM 829 CE2 PHE A 52 -0.653 -9.639 0.812 1.00 0.00 C ATOM 830 CZ PHE A 52 -1.813 -10.276 0.419 1.00 0.00 C ATOM 0 H PHE A 52 -4.405 -5.830 1.752 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.681 -6.937 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.351 -5.600 1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.946 -5.904 2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.013 -7.792 0.999 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.206 -7.844 1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.931 -10.106 0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.293 -10.157 0.759 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.776 -11.294 0.059 1.00 0.00 H new ATOM 840 N VAL A 53 -1.961 -3.781 3.153 1.00 0.00 N ATOM 841 CA VAL A 53 -1.504 -2.509 3.737 1.00 0.00 C ATOM 842 C VAL A 53 -1.910 -2.334 5.201 1.00 0.00 C ATOM 843 O VAL A 53 -2.996 -2.746 5.610 1.00 0.00 O ATOM 844 CB VAL A 53 -2.038 -1.311 2.932 1.00 0.00 C ATOM 845 CG1 VAL A 53 -1.481 -1.326 1.517 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.559 -1.318 2.914 1.00 0.00 C ATOM 0 H VAL A 53 -1.935 -3.793 2.133 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.415 -2.543 3.693 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.706 -0.393 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.870 -0.471 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.393 -1.270 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.780 -2.248 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.920 -0.464 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.913 -2.240 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.935 -1.255 3.935 1.00 0.00 H new ATOM 856 N LYS A 54 -1.044 -1.693 5.982 1.00 0.00 N ATOM 857 CA LYS A 54 -1.335 -1.451 7.390 1.00 0.00 C ATOM 858 C LYS A 54 -1.133 0.015 7.755 1.00 0.00 C ATOM 859 O LYS A 54 -0.062 0.578 7.537 1.00 0.00 O ATOM 860 CB LYS A 54 -0.471 -2.339 8.289 1.00 0.00 C ATOM 861 CG LYS A 54 -1.214 -2.874 9.502 1.00 0.00 C ATOM 862 CD LYS A 54 -0.299 -2.988 10.713 1.00 0.00 C ATOM 863 CE LYS A 54 -0.618 -1.930 11.757 1.00 0.00 C ATOM 864 NZ LYS A 54 -1.594 -2.424 12.767 1.00 0.00 N ATOM 0 H LYS A 54 -0.143 -1.335 5.666 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.383 -1.703 7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.094 -3.178 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.396 -1.769 8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.050 -2.215 9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.635 -3.852 9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.402 -3.979 11.155 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.739 -2.886 10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.301 -1.626 12.258 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.021 -1.045 11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.785 -1.673 13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.480 -2.691 12.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.199 -3.254 13.254 1.00 0.00 H new ATOM 878 N GLU A 55 -2.172 0.626 8.314 1.00 0.00 N ATOM 879 CA GLU A 55 -2.115 2.028 8.714 1.00 0.00 C ATOM 880 C GLU A 55 -1.564 2.170 10.130 1.00 0.00 C ATOM 881 O GLU A 55 -1.939 1.419 11.031 1.00 0.00 O ATOM 882 CB GLU A 55 -3.506 2.660 8.628 1.00 0.00 C ATOM 883 CG GLU A 55 -3.538 4.123 9.039 1.00 0.00 C ATOM 884 CD GLU A 55 -3.829 4.308 10.515 1.00 0.00 C ATOM 885 OE1 GLU A 55 -2.873 4.272 11.318 1.00 0.00 O ATOM 886 OE2 GLU A 55 -5.014 4.487 10.869 1.00 0.00 O ATOM 0 H GLU A 55 -3.066 0.171 8.501 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.444 2.548 8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.874 2.571 7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.191 2.098 9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.580 4.584 8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.297 4.644 8.455 1.00 0.00 H new ATOM 893 N LEU A 56 -0.675 3.140 10.320 1.00 0.00 N ATOM 894 CA LEU A 56 -0.074 3.383 11.628 1.00 0.00 C ATOM 895 C LEU A 56 0.424 4.820 11.739 1.00 0.00 C ATOM 896 O LEU A 56 1.452 5.084 12.362 1.00 0.00 O ATOM 897 CB LEU A 56 1.082 2.411 11.872 1.00 0.00 C ATOM 898 CG LEU A 56 2.082 2.293 10.721 1.00 0.00 C ATOM 899 CD1 LEU A 56 3.394 1.701 11.212 1.00 0.00 C ATOM 900 CD2 LEU A 56 1.501 1.447 9.598 1.00 0.00 C ATOM 0 H LEU A 56 -0.355 3.771 9.585 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.840 3.222 12.386 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.618 2.725 12.768 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.669 1.423 12.077 1.00 0.00 H new ATOM 0 HG LEU A 56 2.281 3.292 10.333 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.093 1.625 10.379 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.817 2.344 11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.213 0.709 11.626 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.225 1.373 8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.274 0.449 9.974 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.587 1.912 9.228 1.00 0.00 H new