USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -16:sc= -1.79! USER MOD Single : A 11 THR OG1 : rot 22:sc= 1.75 USER MOD Single : A 15 TYR OH : rot -128:sc= 1.23 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0078) USER MOD Single : A 24 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.141 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -97:sc= 1.31 USER MOD Single : A 45 LYS NZ :NH3+ 141:sc= 1.2 (180deg=0.145) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.735) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 62 GLN : amide:sc= 1.24 K(o=1.2,f=-0.44) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 7 -10.442 2.461 -2.868 1.00 0.00 N ATOM 77 CA GLU A 7 -9.595 2.486 -1.728 1.00 0.00 C ATOM 78 C GLU A 7 -8.223 3.035 -2.091 1.00 0.00 C ATOM 79 O GLU A 7 -7.582 2.561 -3.035 1.00 0.00 O ATOM 80 CB GLU A 7 -9.432 1.065 -1.199 1.00 0.00 C ATOM 81 CG GLU A 7 -10.714 0.246 -1.108 1.00 0.00 C ATOM 82 CD GLU A 7 -11.773 0.812 -0.195 1.00 0.00 C ATOM 83 OE1 GLU A 7 -11.806 0.431 1.002 1.00 0.00 O ATOM 84 OE2 GLU A 7 -12.658 1.555 -0.663 1.00 0.00 O ATOM 0 HA GLU A 7 -10.045 3.128 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.729 0.536 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.983 1.115 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.135 0.147 -2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.462 -0.758 -0.767 1.00 0.00 H new ATOM 91 N TYR A 8 -7.774 4.020 -1.366 1.00 0.00 N ATOM 92 CA TYR A 8 -6.445 4.536 -1.536 1.00 0.00 C ATOM 93 C TYR A 8 -5.876 4.995 -0.239 1.00 0.00 C ATOM 94 O TYR A 8 -6.595 5.516 0.624 1.00 0.00 O ATOM 95 CB TYR A 8 -6.277 5.571 -2.669 1.00 0.00 C ATOM 96 CG TYR A 8 -7.308 6.665 -2.776 1.00 0.00 C ATOM 97 CD1 TYR A 8 -7.201 7.833 -2.037 1.00 0.00 C ATOM 98 CD2 TYR A 8 -8.370 6.543 -3.662 1.00 0.00 C ATOM 99 CE1 TYR A 8 -8.125 8.847 -2.176 1.00 0.00 C ATOM 100 CE2 TYR A 8 -9.299 7.543 -3.803 1.00 0.00 C ATOM 101 CZ TYR A 8 -9.174 8.695 -3.060 1.00 0.00 C ATOM 102 OH TYR A 8 -10.099 9.704 -3.204 1.00 0.00 O ATOM 0 H TYR A 8 -8.318 4.488 -0.641 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.852 3.691 -1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.300 6.041 -2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.260 5.032 -3.616 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.382 7.950 -1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -8.467 5.643 -4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.029 9.754 -1.597 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.122 7.427 -4.492 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.772 9.439 -3.866 1.00 0.00 H new ATOM 112 N CYS A 9 -4.606 4.801 -0.095 1.00 0.00 N ATOM 113 CA CYS A 9 -3.927 5.039 1.134 1.00 0.00 C ATOM 114 C CYS A 9 -2.734 5.960 0.946 1.00 0.00 C ATOM 115 O CYS A 9 -2.101 5.974 -0.111 1.00 0.00 O ATOM 116 CB CYS A 9 -3.499 3.693 1.731 1.00 0.00 C ATOM 117 SG CYS A 9 -2.615 2.621 0.570 1.00 0.00 S ATOM 0 H CYS A 9 -4.000 4.466 -0.844 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.604 5.544 1.822 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.863 3.877 2.597 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.384 3.169 2.092 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.808 3.044 -0.644 1.00 0.00 H new ATOM 123 N ARG A 10 -2.458 6.736 1.955 1.00 0.00 N ATOM 124 CA ARG A 10 -1.338 7.629 1.960 1.00 0.00 C ATOM 125 C ARG A 10 -0.248 7.005 2.787 1.00 0.00 C ATOM 126 O ARG A 10 -0.516 6.436 3.849 1.00 0.00 O ATOM 127 CB ARG A 10 -1.726 8.988 2.553 1.00 0.00 C ATOM 128 CG ARG A 10 -0.580 9.989 2.646 1.00 0.00 C ATOM 129 CD ARG A 10 -1.037 11.291 3.272 1.00 0.00 C ATOM 130 NE ARG A 10 0.065 12.246 3.439 1.00 0.00 N ATOM 131 CZ ARG A 10 -0.075 13.572 3.558 1.00 0.00 C ATOM 132 NH1 ARG A 10 -1.277 14.141 3.454 1.00 0.00 N ATOM 133 NH2 ARG A 10 0.994 14.327 3.747 1.00 0.00 N ATOM 0 H ARG A 10 -3.014 6.765 2.810 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.998 7.795 0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.521 9.421 1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.136 8.831 3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.231 9.563 3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.181 10.182 1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.812 11.739 2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.488 11.086 4.243 1.00 0.00 H new ATOM 0 HE ARG A 10 1.013 11.869 3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.101 13.565 3.282 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.372 15.152 3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.918 13.898 3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.895 15.338 3.838 1.00 0.00 H new ATOM 147 N THR A 11 0.939 7.070 2.291 1.00 0.00 N ATOM 148 CA THR A 11 2.099 6.565 2.975 1.00 0.00 C ATOM 149 C THR A 11 2.397 7.437 4.195 1.00 0.00 C ATOM 150 O THR A 11 2.268 8.671 4.115 1.00 0.00 O ATOM 151 CB THR A 11 3.270 6.679 2.023 1.00 0.00 C ATOM 152 OG1 THR A 11 3.323 8.052 1.611 1.00 0.00 O ATOM 153 CG2 THR A 11 3.047 5.808 0.805 1.00 0.00 C ATOM 0 H THR A 11 1.144 7.482 1.381 1.00 0.00 H new ATOM 0 HA THR A 11 1.932 5.536 3.292 1.00 0.00 H new ATOM 0 HB THR A 11 4.193 6.359 2.506 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.856 8.609 2.268 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.898 5.901 0.130 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.942 4.768 1.115 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.140 6.126 0.291 1.00 0.00 H new ATOM 161 N LEU A 12 2.767 6.830 5.293 1.00 0.00 N ATOM 162 CA LEU A 12 3.135 7.595 6.468 1.00 0.00 C ATOM 163 C LEU A 12 4.627 7.533 6.693 1.00 0.00 C ATOM 164 O LEU A 12 5.190 8.376 7.382 1.00 0.00 O ATOM 165 CB LEU A 12 2.427 7.058 7.710 1.00 0.00 C ATOM 166 CG LEU A 12 0.911 7.162 7.726 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.362 6.520 8.989 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.475 8.619 7.641 1.00 0.00 C ATOM 0 H LEU A 12 2.823 5.818 5.404 1.00 0.00 H new ATOM 0 HA LEU A 12 2.831 8.628 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.698 6.009 7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.814 7.589 8.580 1.00 0.00 H new ATOM 0 HG LEU A 12 0.514 6.634 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.725 6.598 8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.650 5.469 9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.766 7.031 9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.614 8.674 7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.876 9.169 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.850 9.058 6.716 1.00 0.00 H new ATOM 180 N PHE A 13 5.263 6.555 6.094 1.00 0.00 N ATOM 181 CA PHE A 13 6.694 6.346 6.248 1.00 0.00 C ATOM 182 C PHE A 13 7.238 5.778 4.953 1.00 0.00 C ATOM 183 O PHE A 13 6.493 5.138 4.215 1.00 0.00 O ATOM 184 CB PHE A 13 6.990 5.339 7.395 1.00 0.00 C ATOM 185 CG PHE A 13 6.523 5.756 8.764 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.248 6.665 9.509 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.355 5.234 9.303 1.00 0.00 C ATOM 188 CE1 PHE A 13 6.821 7.052 10.764 1.00 0.00 C ATOM 189 CE2 PHE A 13 4.922 5.616 10.555 1.00 0.00 C ATOM 190 CZ PHE A 13 5.656 6.526 11.288 1.00 0.00 C ATOM 0 H PHE A 13 4.807 5.877 5.483 1.00 0.00 H new ATOM 0 HA PHE A 13 7.165 7.299 6.490 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.524 4.386 7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.066 5.167 7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.160 7.078 9.105 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.778 4.520 8.734 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.397 7.765 11.335 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.010 5.204 10.961 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.320 6.826 12.270 1.00 0.00 H new ATOM 200 N PRO A 14 8.509 6.040 4.627 1.00 0.00 N ATOM 201 CA PRO A 14 9.146 5.440 3.463 1.00 0.00 C ATOM 202 C PRO A 14 9.519 3.976 3.731 1.00 0.00 C ATOM 203 O PRO A 14 9.963 3.617 4.843 1.00 0.00 O ATOM 204 CB PRO A 14 10.401 6.287 3.257 1.00 0.00 C ATOM 205 CG PRO A 14 10.721 6.836 4.604 1.00 0.00 C ATOM 206 CD PRO A 14 9.415 6.963 5.342 1.00 0.00 C ATOM 0 HA PRO A 14 8.494 5.427 2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.224 5.686 2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.224 7.086 2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.405 6.176 5.138 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.214 7.805 4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.521 6.686 6.391 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.041 7.987 5.319 1.00 0.00 H new ATOM 214 N TYR A 15 9.342 3.146 2.735 1.00 0.00 N ATOM 215 CA TYR A 15 9.605 1.732 2.851 1.00 0.00 C ATOM 216 C TYR A 15 10.091 1.218 1.505 1.00 0.00 C ATOM 217 O TYR A 15 9.598 1.638 0.465 1.00 0.00 O ATOM 218 CB TYR A 15 8.316 1.020 3.282 1.00 0.00 C ATOM 219 CG TYR A 15 8.412 -0.473 3.535 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.885 -0.960 4.744 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.988 -1.391 2.580 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.942 -2.315 4.995 1.00 0.00 C ATOM 223 CE2 TYR A 15 8.034 -2.748 2.825 1.00 0.00 C ATOM 224 CZ TYR A 15 8.512 -3.205 4.036 1.00 0.00 C ATOM 225 OH TYR A 15 8.543 -4.557 4.297 1.00 0.00 O ATOM 0 H TYR A 15 9.009 3.433 1.814 1.00 0.00 H new ATOM 0 HA TYR A 15 10.373 1.538 3.599 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.953 1.496 4.193 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.562 1.187 2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.215 -0.266 5.503 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.616 -1.035 1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.322 -2.676 5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.698 -3.448 2.074 1.00 0.00 H new ATOM 0 HH TYR A 15 9.009 -5.020 3.570 1.00 0.00 H new ATOM 235 N THR A 16 11.066 0.365 1.525 1.00 0.00 N ATOM 236 CA THR A 16 11.628 -0.179 0.327 1.00 0.00 C ATOM 237 C THR A 16 11.328 -1.668 0.222 1.00 0.00 C ATOM 238 O THR A 16 11.524 -2.427 1.181 1.00 0.00 O ATOM 239 CB THR A 16 13.153 0.057 0.307 1.00 0.00 C ATOM 240 OG1 THR A 16 13.404 1.466 0.469 1.00 0.00 O ATOM 241 CG2 THR A 16 13.773 -0.423 -1.006 1.00 0.00 C ATOM 0 H THR A 16 11.500 0.022 2.382 1.00 0.00 H new ATOM 0 HA THR A 16 11.177 0.325 -0.528 1.00 0.00 H new ATOM 0 HB THR A 16 13.606 -0.510 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.370 1.629 0.460 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.848 -0.243 -0.988 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.586 -1.490 -1.128 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.328 0.121 -1.839 1.00 0.00 H new ATOM 249 N GLY A 17 10.855 -2.066 -0.919 1.00 0.00 N ATOM 250 CA GLY A 17 10.590 -3.427 -1.169 1.00 0.00 C ATOM 251 C GLY A 17 11.828 -4.113 -1.647 1.00 0.00 C ATOM 252 O GLY A 17 12.405 -3.734 -2.664 1.00 0.00 O ATOM 0 H GLY A 17 10.645 -1.443 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.227 -3.907 -0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.802 -3.521 -1.916 1.00 0.00 H new ATOM 256 N THR A 18 12.251 -5.102 -0.910 1.00 0.00 N ATOM 257 CA THR A 18 13.383 -5.843 -1.196 1.00 0.00 C ATOM 258 C THR A 18 12.991 -6.893 -2.228 1.00 0.00 C ATOM 259 O THR A 18 13.790 -7.325 -3.070 1.00 0.00 O ATOM 260 CB THR A 18 13.784 -6.490 0.114 1.00 0.00 C ATOM 261 OG1 THR A 18 13.929 -5.460 1.101 1.00 0.00 O ATOM 262 CG2 THR A 18 15.054 -7.218 -0.028 1.00 0.00 C ATOM 0 H THR A 18 11.773 -5.404 -0.061 1.00 0.00 H new ATOM 0 HA THR A 18 14.207 -5.253 -1.597 1.00 0.00 H new ATOM 0 HB THR A 18 13.016 -7.203 0.413 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.187 -5.861 1.957 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.321 -7.674 0.926 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.945 -7.996 -0.784 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.839 -6.525 -0.331 1.00 0.00 H new ATOM 270 N ASN A 19 11.742 -7.257 -2.159 1.00 0.00 N ATOM 271 CA ASN A 19 11.133 -8.186 -3.061 1.00 0.00 C ATOM 272 C ASN A 19 10.480 -7.396 -4.167 1.00 0.00 C ATOM 273 O ASN A 19 10.287 -6.186 -4.028 1.00 0.00 O ATOM 274 CB ASN A 19 10.062 -8.983 -2.325 1.00 0.00 C ATOM 275 CG ASN A 19 10.597 -9.806 -1.178 1.00 0.00 C ATOM 276 OD1 ASN A 19 10.953 -10.953 -1.360 1.00 0.00 O ATOM 277 ND2 ASN A 19 10.671 -9.224 0.007 1.00 0.00 N ATOM 0 H ASN A 19 11.101 -6.902 -1.449 1.00 0.00 H new ATOM 0 HA ASN A 19 11.881 -8.871 -3.461 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.307 -8.295 -1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.563 -9.645 -3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.037 -9.740 0.807 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.362 -8.259 0.121 1.00 0.00 H new ATOM 284 N GLU A 20 10.113 -8.049 -5.235 1.00 0.00 N ATOM 285 CA GLU A 20 9.461 -7.375 -6.343 1.00 0.00 C ATOM 286 C GLU A 20 7.974 -7.221 -6.052 1.00 0.00 C ATOM 287 O GLU A 20 7.318 -6.291 -6.529 1.00 0.00 O ATOM 288 CB GLU A 20 9.700 -8.087 -7.707 1.00 0.00 C ATOM 289 CG GLU A 20 9.222 -9.539 -7.812 1.00 0.00 C ATOM 290 CD GLU A 20 10.080 -10.516 -7.054 1.00 0.00 C ATOM 291 OE1 GLU A 20 9.934 -10.623 -5.816 1.00 0.00 O ATOM 292 OE2 GLU A 20 10.911 -11.189 -7.672 1.00 0.00 O ATOM 0 H GLU A 20 10.251 -9.051 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 20 9.911 -6.387 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.205 -7.507 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.768 -8.063 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.199 -9.603 -7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.198 -9.829 -8.862 1.00 0.00 H new ATOM 299 N ASP A 21 7.448 -8.120 -5.236 1.00 0.00 N ATOM 300 CA ASP A 21 6.041 -8.072 -4.830 1.00 0.00 C ATOM 301 C ASP A 21 5.884 -7.307 -3.542 1.00 0.00 C ATOM 302 O ASP A 21 4.830 -7.278 -2.944 1.00 0.00 O ATOM 303 CB ASP A 21 5.420 -9.465 -4.707 1.00 0.00 C ATOM 304 CG ASP A 21 5.302 -10.161 -6.032 1.00 0.00 C ATOM 305 OD1 ASP A 21 4.518 -9.698 -6.901 1.00 0.00 O ATOM 306 OD2 ASP A 21 5.992 -11.187 -6.250 1.00 0.00 O ATOM 0 H ASP A 21 7.973 -8.898 -4.837 1.00 0.00 H new ATOM 0 HA ASP A 21 5.501 -7.550 -5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.027 -10.072 -4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.432 -9.380 -4.256 1.00 0.00 H new ATOM 311 N GLU A 22 6.938 -6.676 -3.137 1.00 0.00 N ATOM 312 CA GLU A 22 6.942 -5.840 -1.983 1.00 0.00 C ATOM 313 C GLU A 22 7.078 -4.429 -2.520 1.00 0.00 C ATOM 314 O GLU A 22 7.920 -4.177 -3.391 1.00 0.00 O ATOM 315 CB GLU A 22 8.103 -6.245 -1.091 1.00 0.00 C ATOM 316 CG GLU A 22 8.216 -5.521 0.227 1.00 0.00 C ATOM 317 CD GLU A 22 9.396 -6.024 1.018 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.385 -6.492 0.400 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.343 -6.011 2.256 1.00 0.00 O ATOM 0 H GLU A 22 7.840 -6.729 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 22 6.042 -5.922 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.023 -7.313 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.029 -6.094 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.321 -4.451 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.301 -5.661 0.803 1.00 0.00 H new ATOM 326 N LEU A 23 6.251 -3.541 -2.059 1.00 0.00 N ATOM 327 CA LEU A 23 6.147 -2.231 -2.673 1.00 0.00 C ATOM 328 C LEU A 23 7.138 -1.235 -2.048 1.00 0.00 C ATOM 329 O LEU A 23 7.237 -1.130 -0.824 1.00 0.00 O ATOM 330 CB LEU A 23 4.696 -1.724 -2.514 1.00 0.00 C ATOM 331 CG LEU A 23 4.075 -0.918 -3.682 1.00 0.00 C ATOM 332 CD1 LEU A 23 2.663 -0.509 -3.332 1.00 0.00 C ATOM 333 CD2 LEU A 23 4.891 0.306 -4.042 1.00 0.00 C ATOM 0 H LEU A 23 5.634 -3.689 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 23 6.400 -2.313 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.059 -2.589 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.656 -1.101 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 23 4.069 -1.570 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.233 0.057 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.061 -1.399 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.675 0.110 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.411 0.834 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.957 0.966 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.893 -0.000 -4.342 1.00 0.00 H new ATOM 345 N THR A 24 7.874 -0.535 -2.894 1.00 0.00 N ATOM 346 CA THR A 24 8.731 0.532 -2.454 1.00 0.00 C ATOM 347 C THR A 24 7.960 1.840 -2.564 1.00 0.00 C ATOM 348 O THR A 24 7.516 2.225 -3.650 1.00 0.00 O ATOM 349 CB THR A 24 10.005 0.598 -3.336 1.00 0.00 C ATOM 350 OG1 THR A 24 10.735 -0.621 -3.192 1.00 0.00 O ATOM 351 CG2 THR A 24 10.903 1.781 -2.961 1.00 0.00 C ATOM 0 H THR A 24 7.889 -0.696 -3.901 1.00 0.00 H new ATOM 0 HA THR A 24 9.037 0.358 -1.422 1.00 0.00 H new ATOM 0 HB THR A 24 9.693 0.738 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.541 -0.587 -3.748 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.783 1.788 -3.604 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.351 2.712 -3.091 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.215 1.686 -1.921 1.00 0.00 H new ATOM 359 N PHE A 25 7.789 2.503 -1.463 1.00 0.00 N ATOM 360 CA PHE A 25 7.062 3.731 -1.435 1.00 0.00 C ATOM 361 C PHE A 25 7.767 4.797 -0.635 1.00 0.00 C ATOM 362 O PHE A 25 8.452 4.510 0.361 1.00 0.00 O ATOM 363 CB PHE A 25 5.602 3.532 -0.999 1.00 0.00 C ATOM 364 CG PHE A 25 5.408 2.763 0.278 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.273 1.392 0.247 1.00 0.00 C ATOM 366 CD2 PHE A 25 5.332 3.409 1.495 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.074 0.680 1.397 1.00 0.00 C ATOM 368 CE2 PHE A 25 5.125 2.702 2.654 1.00 0.00 C ATOM 369 CZ PHE A 25 4.997 1.332 2.606 1.00 0.00 C ATOM 0 H PHE A 25 8.151 2.206 -0.557 1.00 0.00 H new ATOM 0 HA PHE A 25 7.027 4.096 -2.461 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.138 4.512 -0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.069 3.016 -1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.325 0.873 -0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.437 4.483 1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.977 -0.395 1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.063 3.219 3.600 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.837 0.771 3.515 1.00 0.00 H new ATOM 379 N ARG A 26 7.617 5.998 -1.085 1.00 0.00 N ATOM 380 CA ARG A 26 8.166 7.150 -0.469 1.00 0.00 C ATOM 381 C ARG A 26 7.096 7.780 0.411 1.00 0.00 C ATOM 382 O ARG A 26 5.918 7.485 0.257 1.00 0.00 O ATOM 383 CB ARG A 26 8.584 8.107 -1.585 1.00 0.00 C ATOM 384 CG ARG A 26 9.062 9.460 -1.144 1.00 0.00 C ATOM 385 CD ARG A 26 9.471 10.310 -2.319 1.00 0.00 C ATOM 386 NE ARG A 26 8.389 10.549 -3.273 1.00 0.00 N ATOM 387 CZ ARG A 26 8.571 10.853 -4.558 1.00 0.00 C ATOM 388 NH1 ARG A 26 9.803 10.885 -5.080 1.00 0.00 N ATOM 389 NH2 ARG A 26 7.521 11.094 -5.314 1.00 0.00 N ATOM 0 H ARG A 26 7.084 6.208 -1.929 1.00 0.00 H new ATOM 0 HA ARG A 26 9.030 6.910 0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.377 7.634 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.736 8.244 -2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.271 9.963 -0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.907 9.345 -0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.840 11.268 -1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.300 9.826 -2.836 1.00 0.00 H new ATOM 0 HE ARG A 26 7.430 10.478 -2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.611 10.676 -4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.934 11.118 -6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.584 11.047 -4.915 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.645 11.328 -6.299 1.00 0.00 H new ATOM 403 N GLU A 27 7.508 8.611 1.323 1.00 0.00 N ATOM 404 CA GLU A 27 6.599 9.329 2.175 1.00 0.00 C ATOM 405 C GLU A 27 5.953 10.440 1.357 1.00 0.00 C ATOM 406 O GLU A 27 6.651 11.277 0.772 1.00 0.00 O ATOM 407 CB GLU A 27 7.361 9.960 3.321 1.00 0.00 C ATOM 408 CG GLU A 27 6.498 10.720 4.308 1.00 0.00 C ATOM 409 CD GLU A 27 7.301 11.719 5.082 1.00 0.00 C ATOM 410 OE1 GLU A 27 8.039 11.327 6.011 1.00 0.00 O ATOM 411 OE2 GLU A 27 7.248 12.917 4.732 1.00 0.00 O ATOM 0 H GLU A 27 8.492 8.813 1.500 1.00 0.00 H new ATOM 0 HA GLU A 27 5.847 8.645 2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.900 9.178 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.108 10.640 2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.696 11.231 3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.026 10.019 4.996 1.00 0.00 H new ATOM 418 N GLY A 28 4.660 10.432 1.304 1.00 0.00 N ATOM 419 CA GLY A 28 3.936 11.455 0.602 1.00 0.00 C ATOM 420 C GLY A 28 3.310 10.916 -0.653 1.00 0.00 C ATOM 421 O GLY A 28 2.810 11.678 -1.493 1.00 0.00 O ATOM 0 H GLY A 28 4.074 9.722 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.162 11.866 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.610 12.274 0.352 1.00 0.00 H new ATOM 425 N GLU A 29 3.314 9.611 -0.786 1.00 0.00 N ATOM 426 CA GLU A 29 2.773 8.981 -1.956 1.00 0.00 C ATOM 427 C GLU A 29 1.375 8.457 -1.683 1.00 0.00 C ATOM 428 O GLU A 29 1.023 8.139 -0.528 1.00 0.00 O ATOM 429 CB GLU A 29 3.676 7.842 -2.439 1.00 0.00 C ATOM 430 CG GLU A 29 5.108 8.257 -2.736 1.00 0.00 C ATOM 431 CD GLU A 29 5.202 9.405 -3.700 1.00 0.00 C ATOM 432 OE1 GLU A 29 4.898 9.221 -4.888 1.00 0.00 O ATOM 433 OE2 GLU A 29 5.617 10.504 -3.300 1.00 0.00 O ATOM 0 H GLU A 29 3.689 8.966 -0.091 1.00 0.00 H new ATOM 0 HA GLU A 29 2.720 9.733 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.688 7.058 -1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.242 7.408 -3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.601 8.532 -1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.650 7.403 -3.143 1.00 0.00 H new ATOM 440 N ILE A 30 0.587 8.379 -2.725 1.00 0.00 N ATOM 441 CA ILE A 30 -0.747 7.853 -2.636 1.00 0.00 C ATOM 442 C ILE A 30 -0.771 6.513 -3.338 1.00 0.00 C ATOM 443 O ILE A 30 -0.600 6.425 -4.556 1.00 0.00 O ATOM 444 CB ILE A 30 -1.804 8.801 -3.273 1.00 0.00 C ATOM 445 CG1 ILE A 30 -1.780 10.188 -2.603 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.211 8.193 -3.186 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.097 10.185 -1.113 1.00 0.00 C ATOM 0 H ILE A 30 0.856 8.680 -3.662 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.010 7.752 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.545 8.923 -4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.794 10.629 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.497 10.833 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.931 8.875 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.230 7.241 -3.717 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.473 8.030 -2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.056 11.205 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.096 9.778 -0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.367 9.570 -0.587 1.00 0.00 H new ATOM 459 N ILE A 31 -0.944 5.494 -2.576 1.00 0.00 N ATOM 460 CA ILE A 31 -0.972 4.156 -3.086 1.00 0.00 C ATOM 461 C ILE A 31 -2.418 3.764 -3.290 1.00 0.00 C ATOM 462 O ILE A 31 -3.260 4.002 -2.404 1.00 0.00 O ATOM 463 CB ILE A 31 -0.319 3.154 -2.084 1.00 0.00 C ATOM 464 CG1 ILE A 31 1.125 3.560 -1.762 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.352 1.729 -2.639 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.793 2.677 -0.725 1.00 0.00 C ATOM 0 H ILE A 31 -1.073 5.558 -1.566 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.411 4.121 -4.020 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.900 3.183 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.713 3.535 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.132 4.591 -1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.109 1.049 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.386 1.429 -2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.197 1.692 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.811 3.026 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.230 2.720 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.819 1.649 -1.085 1.00 0.00 H new ATOM 478 N HIS A 32 -2.715 3.154 -4.406 1.00 0.00 N ATOM 479 CA HIS A 32 -4.061 2.717 -4.671 1.00 0.00 C ATOM 480 C HIS A 32 -4.192 1.340 -4.102 1.00 0.00 C ATOM 481 O HIS A 32 -3.476 0.421 -4.502 1.00 0.00 O ATOM 482 CB HIS A 32 -4.367 2.704 -6.179 1.00 0.00 C ATOM 483 CG HIS A 32 -4.342 4.057 -6.831 1.00 0.00 C ATOM 484 ND1 HIS A 32 -3.421 4.440 -7.784 1.00 0.00 N ATOM 485 CD2 HIS A 32 -5.172 5.115 -6.669 1.00 0.00 C ATOM 486 CE1 HIS A 32 -3.707 5.684 -8.161 1.00 0.00 C ATOM 487 NE2 HIS A 32 -4.770 6.145 -7.514 1.00 0.00 N ATOM 0 H HIS A 32 -2.044 2.948 -5.146 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.773 3.404 -4.215 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.643 2.061 -6.678 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.350 2.258 -6.334 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.012 5.153 -5.992 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.148 6.244 -8.896 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.202 7.063 -7.615 1.00 0.00 H new ATOM 495 N LEU A 33 -5.068 1.208 -3.146 1.00 0.00 N ATOM 496 CA LEU A 33 -5.213 -0.004 -2.408 1.00 0.00 C ATOM 497 C LEU A 33 -5.962 -1.003 -3.254 1.00 0.00 C ATOM 498 O LEU A 33 -7.051 -0.727 -3.767 1.00 0.00 O ATOM 499 CB LEU A 33 -5.904 0.300 -1.051 1.00 0.00 C ATOM 500 CG LEU A 33 -6.025 -0.824 0.012 1.00 0.00 C ATOM 501 CD1 LEU A 33 -6.442 -0.214 1.329 1.00 0.00 C ATOM 502 CD2 LEU A 33 -7.057 -1.875 -0.375 1.00 0.00 C ATOM 0 H LEU A 33 -5.706 1.950 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.245 -0.446 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.368 1.130 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.912 0.653 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.052 -1.311 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.529 -0.998 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.694 0.512 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.404 0.284 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.105 -2.640 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.034 -1.404 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.771 -2.334 -1.321 1.00 0.00 H new ATOM 514 N ILE A 34 -5.353 -2.136 -3.428 1.00 0.00 N ATOM 515 CA ILE A 34 -5.909 -3.185 -4.220 1.00 0.00 C ATOM 516 C ILE A 34 -6.669 -4.143 -3.320 1.00 0.00 C ATOM 517 O ILE A 34 -7.822 -4.475 -3.580 1.00 0.00 O ATOM 518 CB ILE A 34 -4.790 -3.950 -4.998 1.00 0.00 C ATOM 519 CG1 ILE A 34 -4.017 -3.000 -5.938 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.350 -5.135 -5.777 1.00 0.00 C ATOM 521 CD1 ILE A 34 -4.881 -2.294 -6.972 1.00 0.00 C ATOM 0 H ILE A 34 -4.446 -2.359 -3.019 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.590 -2.751 -4.952 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.094 -4.341 -4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.507 -2.249 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.246 -3.570 -6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.540 -5.640 -6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.824 -5.833 -5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.087 -4.781 -6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.256 -1.648 -7.588 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.371 -3.035 -7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.636 -1.693 -6.466 1.00 0.00 H new ATOM 533 N SER A 35 -6.031 -4.581 -2.253 1.00 0.00 N ATOM 534 CA SER A 35 -6.628 -5.540 -1.344 1.00 0.00 C ATOM 535 C SER A 35 -5.998 -5.448 0.042 1.00 0.00 C ATOM 536 O SER A 35 -4.781 -5.364 0.158 1.00 0.00 O ATOM 537 CB SER A 35 -6.425 -6.963 -1.900 1.00 0.00 C ATOM 538 OG SER A 35 -7.035 -7.097 -3.179 1.00 0.00 O ATOM 0 H SER A 35 -5.090 -4.285 -1.992 1.00 0.00 H new ATOM 0 HA SER A 35 -7.691 -5.316 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.360 -7.180 -1.976 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.851 -7.692 -1.211 1.00 0.00 H new ATOM 0 HG SER A 35 -6.893 -8.007 -3.515 1.00 0.00 H new ATOM 544 N LYS A 36 -6.827 -5.420 1.083 1.00 0.00 N ATOM 545 CA LYS A 36 -6.317 -5.501 2.461 1.00 0.00 C ATOM 546 C LYS A 36 -6.120 -6.966 2.831 1.00 0.00 C ATOM 547 O LYS A 36 -5.440 -7.304 3.788 1.00 0.00 O ATOM 548 CB LYS A 36 -7.279 -4.843 3.471 1.00 0.00 C ATOM 549 CG LYS A 36 -7.420 -3.328 3.337 1.00 0.00 C ATOM 550 CD LYS A 36 -8.363 -2.737 4.389 1.00 0.00 C ATOM 551 CE LYS A 36 -9.770 -3.307 4.304 1.00 0.00 C ATOM 552 NZ LYS A 36 -10.678 -2.676 5.285 1.00 0.00 N ATOM 0 H LYS A 36 -7.841 -5.343 1.008 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.371 -4.961 2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.264 -5.296 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.935 -5.073 4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.438 -2.864 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.793 -3.087 2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.958 -2.928 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.406 -1.655 4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.162 -3.159 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.738 -4.383 4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.627 -3.091 5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.317 -2.839 6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.729 -1.653 5.103 1.00 0.00 H new ATOM 566 N GLU A 37 -6.731 -7.825 2.050 1.00 0.00 N ATOM 567 CA GLU A 37 -6.656 -9.241 2.256 1.00 0.00 C ATOM 568 C GLU A 37 -5.596 -9.827 1.334 1.00 0.00 C ATOM 569 O GLU A 37 -5.820 -9.983 0.134 1.00 0.00 O ATOM 570 CB GLU A 37 -8.023 -9.878 1.983 1.00 0.00 C ATOM 571 CG GLU A 37 -8.082 -11.379 2.191 1.00 0.00 C ATOM 572 CD GLU A 37 -9.429 -11.942 1.832 1.00 0.00 C ATOM 573 OE1 GLU A 37 -9.689 -12.179 0.634 1.00 0.00 O ATOM 574 OE2 GLU A 37 -10.253 -12.157 2.723 1.00 0.00 O ATOM 0 H GLU A 37 -7.298 -7.552 1.247 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.380 -9.450 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.763 -9.407 2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.312 -9.657 0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.314 -11.860 1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.858 -11.610 3.232 1.00 0.00 H new ATOM 581 N THR A 38 -4.432 -10.057 1.873 1.00 0.00 N ATOM 582 CA THR A 38 -3.348 -10.674 1.135 1.00 0.00 C ATOM 583 C THR A 38 -3.164 -12.111 1.594 1.00 0.00 C ATOM 584 O THR A 38 -2.345 -12.869 1.058 1.00 0.00 O ATOM 585 CB THR A 38 -2.068 -9.894 1.390 1.00 0.00 C ATOM 586 OG1 THR A 38 -1.953 -9.680 2.805 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.099 -8.562 0.666 1.00 0.00 C ATOM 0 H THR A 38 -4.200 -9.824 2.839 1.00 0.00 H new ATOM 0 HA THR A 38 -3.582 -10.667 0.070 1.00 0.00 H new ATOM 0 HB THR A 38 -1.212 -10.457 1.018 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.291 -8.788 3.029 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.174 -8.020 0.862 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.200 -8.733 -0.406 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.946 -7.975 1.021 1.00 0.00 H new ATOM 595 N GLY A 39 -3.942 -12.469 2.575 1.00 0.00 N ATOM 596 CA GLY A 39 -3.855 -13.757 3.180 1.00 0.00 C ATOM 597 C GLY A 39 -3.680 -13.607 4.661 1.00 0.00 C ATOM 598 O GLY A 39 -4.329 -14.298 5.446 1.00 0.00 O ATOM 0 H GLY A 39 -4.659 -11.866 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.756 -14.332 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.016 -14.312 2.759 1.00 0.00 H new ATOM 602 N GLU A 40 -2.834 -12.665 5.045 1.00 0.00 N ATOM 603 CA GLU A 40 -2.564 -12.395 6.438 1.00 0.00 C ATOM 604 C GLU A 40 -2.899 -10.948 6.758 1.00 0.00 C ATOM 605 O GLU A 40 -2.443 -10.027 6.067 1.00 0.00 O ATOM 606 CB GLU A 40 -1.102 -12.683 6.784 1.00 0.00 C ATOM 607 CG GLU A 40 -0.674 -14.122 6.541 1.00 0.00 C ATOM 608 CD GLU A 40 0.748 -14.365 6.954 1.00 0.00 C ATOM 609 OE1 GLU A 40 1.666 -14.169 6.130 1.00 0.00 O ATOM 610 OE2 GLU A 40 0.988 -14.739 8.120 1.00 0.00 O ATOM 0 H GLU A 40 -2.318 -12.070 4.397 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.190 -13.054 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.465 -12.022 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.934 -12.438 7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.331 -14.794 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.790 -14.361 5.484 1.00 0.00 H new ATOM 617 N ALA A 41 -3.693 -10.754 7.789 1.00 0.00 N ATOM 618 CA ALA A 41 -4.122 -9.429 8.206 1.00 0.00 C ATOM 619 C ALA A 41 -2.935 -8.619 8.713 1.00 0.00 C ATOM 620 O ALA A 41 -2.250 -9.021 9.670 1.00 0.00 O ATOM 621 CB ALA A 41 -5.198 -9.538 9.279 1.00 0.00 C ATOM 0 H ALA A 41 -4.062 -11.510 8.365 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.544 -8.911 7.345 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.511 -8.539 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.055 -10.081 8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.799 -10.071 10.142 1.00 0.00 H new ATOM 627 N GLY A 42 -2.697 -7.494 8.084 1.00 0.00 N ATOM 628 CA GLY A 42 -1.570 -6.662 8.425 1.00 0.00 C ATOM 629 C GLY A 42 -0.803 -6.275 7.192 1.00 0.00 C ATOM 630 O GLY A 42 -0.124 -5.246 7.159 1.00 0.00 O ATOM 0 H GLY A 42 -3.275 -7.131 7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.916 -5.766 8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.915 -7.194 9.115 1.00 0.00 H new ATOM 634 N TRP A 43 -0.908 -7.098 6.180 1.00 0.00 N ATOM 635 CA TRP A 43 -0.265 -6.836 4.920 1.00 0.00 C ATOM 636 C TRP A 43 -1.290 -6.423 3.898 1.00 0.00 C ATOM 637 O TRP A 43 -2.250 -7.149 3.644 1.00 0.00 O ATOM 638 CB TRP A 43 0.517 -8.057 4.425 1.00 0.00 C ATOM 639 CG TRP A 43 1.773 -8.327 5.196 1.00 0.00 C ATOM 640 CD1 TRP A 43 1.907 -9.043 6.354 1.00 0.00 C ATOM 641 CD2 TRP A 43 3.081 -7.883 4.843 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.225 -9.057 6.745 1.00 0.00 N ATOM 643 CE2 TRP A 43 3.966 -8.356 5.827 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.589 -7.128 3.786 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.332 -8.096 5.781 1.00 0.00 C ATOM 646 CZ3 TRP A 43 4.940 -6.871 3.740 1.00 0.00 C ATOM 647 CH2 TRP A 43 5.797 -7.354 4.729 1.00 0.00 C ATOM 0 H TRP A 43 -1.441 -7.967 6.207 1.00 0.00 H new ATOM 0 HA TRP A 43 0.447 -6.024 5.066 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.127 -8.935 4.479 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.771 -7.912 3.375 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.098 -9.525 6.882 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.592 -9.513 7.580 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.932 -6.751 3.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.999 -8.465 6.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.343 -6.287 2.926 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.853 -7.137 4.663 1.00 0.00 H new ATOM 658 N TRP A 44 -1.090 -5.280 3.329 1.00 0.00 N ATOM 659 CA TRP A 44 -1.978 -4.748 2.334 1.00 0.00 C ATOM 660 C TRP A 44 -1.308 -4.799 0.995 1.00 0.00 C ATOM 661 O TRP A 44 -0.087 -4.789 0.913 1.00 0.00 O ATOM 662 CB TRP A 44 -2.347 -3.302 2.649 1.00 0.00 C ATOM 663 CG TRP A 44 -3.292 -3.116 3.791 1.00 0.00 C ATOM 664 CD1 TRP A 44 -3.758 -4.066 4.651 1.00 0.00 C ATOM 665 CD2 TRP A 44 -3.904 -1.888 4.181 1.00 0.00 C ATOM 666 NE1 TRP A 44 -4.634 -3.505 5.534 1.00 0.00 N ATOM 667 CE2 TRP A 44 -4.736 -2.167 5.273 1.00 0.00 C ATOM 668 CE3 TRP A 44 -3.827 -0.579 3.707 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -5.494 -1.186 5.898 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -4.578 0.394 4.328 1.00 0.00 C ATOM 671 CH2 TRP A 44 -5.400 0.084 5.411 1.00 0.00 C ATOM 0 H TRP A 44 -0.295 -4.677 3.541 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.888 -5.348 2.328 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.432 -2.750 2.863 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.788 -2.855 1.758 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.476 -5.108 4.636 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.133 -4.004 6.271 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.191 -0.333 2.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.133 -1.420 6.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.530 1.412 3.971 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.977 0.870 5.876 1.00 0.00 H new ATOM 682 N LYS A 45 -2.091 -4.874 -0.037 1.00 0.00 N ATOM 683 CA LYS A 45 -1.579 -4.884 -1.372 1.00 0.00 C ATOM 684 C LYS A 45 -2.053 -3.621 -2.054 1.00 0.00 C ATOM 685 O LYS A 45 -3.258 -3.311 -2.039 1.00 0.00 O ATOM 686 CB LYS A 45 -2.097 -6.122 -2.123 1.00 0.00 C ATOM 687 CG LYS A 45 -1.474 -6.363 -3.498 1.00 0.00 C ATOM 688 CD LYS A 45 -2.077 -7.601 -4.145 1.00 0.00 C ATOM 689 CE LYS A 45 -1.460 -7.918 -5.506 1.00 0.00 C ATOM 690 NZ LYS A 45 -0.027 -8.292 -5.428 1.00 0.00 N ATOM 0 H LYS A 45 -3.108 -4.930 0.024 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.490 -4.925 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.921 -7.002 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.176 -6.028 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.639 -5.495 -4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.395 -6.486 -3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.941 -8.455 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.151 -7.457 -4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.016 -8.733 -5.968 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.567 -7.050 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.168 -9.062 -6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.560 -7.467 -5.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.197 -8.610 -4.463 1.00 0.00 H new ATOM 704 N GLY A 46 -1.148 -2.917 -2.649 1.00 0.00 N ATOM 705 CA GLY A 46 -1.470 -1.690 -3.303 1.00 0.00 C ATOM 706 C GLY A 46 -0.690 -1.548 -4.566 1.00 0.00 C ATOM 707 O GLY A 46 0.323 -2.220 -4.738 1.00 0.00 O ATOM 0 H GLY A 46 -0.162 -3.176 -2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.537 -1.658 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.256 -0.851 -2.641 1.00 0.00 H new ATOM 711 N GLU A 47 -1.141 -0.703 -5.442 1.00 0.00 N ATOM 712 CA GLU A 47 -0.487 -0.505 -6.702 1.00 0.00 C ATOM 713 C GLU A 47 -0.014 0.935 -6.777 1.00 0.00 C ATOM 714 O GLU A 47 -0.796 1.879 -6.546 1.00 0.00 O ATOM 715 CB GLU A 47 -1.462 -0.870 -7.851 1.00 0.00 C ATOM 716 CG GLU A 47 -0.833 -1.127 -9.233 1.00 0.00 C ATOM 717 CD GLU A 47 -0.335 0.101 -9.949 1.00 0.00 C ATOM 718 OE1 GLU A 47 0.825 0.473 -9.798 1.00 0.00 O ATOM 719 OE2 GLU A 47 -1.106 0.698 -10.725 1.00 0.00 O ATOM 0 H GLU A 47 -1.974 -0.130 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 47 0.384 -1.153 -6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.016 -1.762 -7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.188 -0.063 -7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.001 -1.820 -9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.571 -1.622 -9.864 1.00 0.00 H new ATOM 726 N LEU A 48 1.259 1.091 -7.027 1.00 0.00 N ATOM 727 CA LEU A 48 1.876 2.377 -7.177 1.00 0.00 C ATOM 728 C LEU A 48 3.016 2.278 -8.177 1.00 0.00 C ATOM 729 O LEU A 48 3.954 1.481 -7.991 1.00 0.00 O ATOM 730 CB LEU A 48 2.402 2.909 -5.828 1.00 0.00 C ATOM 731 CG LEU A 48 3.127 4.269 -5.873 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.189 5.387 -6.306 1.00 0.00 C ATOM 733 CD2 LEU A 48 3.766 4.588 -4.531 1.00 0.00 C ATOM 0 H LEU A 48 1.907 0.310 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 48 1.125 3.078 -7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.561 2.991 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.085 2.169 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 48 3.919 4.195 -6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.733 6.331 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.800 5.171 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.361 5.461 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.271 5.552 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.995 4.627 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.490 3.813 -4.280 1.00 0.00 H new ATOM 745 N ASN A 49 2.892 3.037 -9.265 1.00 0.00 N ATOM 746 CA ASN A 49 3.932 3.179 -10.298 1.00 0.00 C ATOM 747 C ASN A 49 4.091 1.928 -11.163 1.00 0.00 C ATOM 748 O ASN A 49 5.135 1.718 -11.802 1.00 0.00 O ATOM 749 CB ASN A 49 5.286 3.648 -9.702 1.00 0.00 C ATOM 750 CG ASN A 49 5.216 5.056 -9.105 1.00 0.00 C ATOM 751 OD1 ASN A 49 4.442 5.906 -9.557 1.00 0.00 O ATOM 752 ND2 ASN A 49 6.019 5.322 -8.108 1.00 0.00 N ATOM 0 H ASN A 49 2.053 3.583 -9.462 1.00 0.00 H new ATOM 0 HA ASN A 49 3.584 3.967 -10.967 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.600 2.946 -8.930 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.048 3.626 -10.481 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.016 6.250 -7.684 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.648 4.602 -7.754 1.00 0.00 H new ATOM 759 N GLY A 50 3.058 1.113 -11.199 1.00 0.00 N ATOM 760 CA GLY A 50 3.030 -0.020 -12.087 1.00 0.00 C ATOM 761 C GLY A 50 3.199 -1.334 -11.390 1.00 0.00 C ATOM 762 O GLY A 50 3.203 -2.392 -12.032 1.00 0.00 O ATOM 0 H GLY A 50 2.225 1.218 -10.619 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.083 -0.024 -12.627 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.820 0.092 -12.830 1.00 0.00 H new ATOM 766 N LYS A 51 3.342 -1.302 -10.095 1.00 0.00 N ATOM 767 CA LYS A 51 3.571 -2.512 -9.349 1.00 0.00 C ATOM 768 C LYS A 51 2.582 -2.625 -8.243 1.00 0.00 C ATOM 769 O LYS A 51 2.351 -1.662 -7.501 1.00 0.00 O ATOM 770 CB LYS A 51 5.003 -2.610 -8.764 1.00 0.00 C ATOM 771 CG LYS A 51 6.137 -2.578 -9.785 1.00 0.00 C ATOM 772 CD LYS A 51 6.395 -1.165 -10.296 1.00 0.00 C ATOM 773 CE LYS A 51 7.374 -1.135 -11.448 1.00 0.00 C ATOM 774 NZ LYS A 51 7.530 0.236 -11.977 1.00 0.00 N ATOM 0 H LYS A 51 3.304 -0.452 -9.532 1.00 0.00 H new ATOM 0 HA LYS A 51 3.454 -3.334 -10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.147 -1.788 -8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.080 -3.534 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.046 -2.973 -9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.890 -3.229 -10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.452 -0.719 -10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.779 -0.552 -9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.341 -1.513 -11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.027 -1.797 -12.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.917 0.194 -12.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.604 0.708 -11.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.179 0.772 -11.367 1.00 0.00 H new ATOM 788 N GLU A 52 1.999 -3.781 -8.127 1.00 0.00 N ATOM 789 CA GLU A 52 1.069 -4.032 -7.074 1.00 0.00 C ATOM 790 C GLU A 52 1.694 -4.948 -6.064 1.00 0.00 C ATOM 791 O GLU A 52 1.688 -6.176 -6.189 1.00 0.00 O ATOM 792 CB GLU A 52 -0.292 -4.529 -7.581 1.00 0.00 C ATOM 793 CG GLU A 52 -0.251 -5.759 -8.479 1.00 0.00 C ATOM 794 CD GLU A 52 -1.608 -6.112 -9.021 1.00 0.00 C ATOM 795 OE1 GLU A 52 -1.963 -5.621 -10.087 1.00 0.00 O ATOM 796 OE2 GLU A 52 -2.349 -6.896 -8.388 1.00 0.00 O ATOM 0 H GLU A 52 2.155 -4.569 -8.756 1.00 0.00 H new ATOM 0 HA GLU A 52 0.842 -3.086 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.921 -4.751 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.774 -3.718 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.434 -5.579 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.145 -6.604 -7.916 1.00 0.00 H new ATOM 803 N GLY A 53 2.221 -4.354 -5.068 1.00 0.00 N ATOM 804 CA GLY A 53 2.960 -5.080 -4.103 1.00 0.00 C ATOM 805 C GLY A 53 2.288 -5.070 -2.786 1.00 0.00 C ATOM 806 O GLY A 53 1.191 -4.521 -2.649 1.00 0.00 O ATOM 0 H GLY A 53 2.156 -3.351 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.088 -6.109 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.957 -4.650 -4.007 1.00 0.00 H new ATOM 810 N VAL A 54 2.930 -5.628 -1.821 1.00 0.00 N ATOM 811 CA VAL A 54 2.397 -5.689 -0.505 1.00 0.00 C ATOM 812 C VAL A 54 3.244 -4.862 0.415 1.00 0.00 C ATOM 813 O VAL A 54 4.441 -4.625 0.149 1.00 0.00 O ATOM 814 CB VAL A 54 2.282 -7.149 0.039 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.321 -7.962 -0.806 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.647 -7.835 0.101 1.00 0.00 C ATOM 0 H VAL A 54 3.849 -6.059 -1.923 1.00 0.00 H new ATOM 0 HA VAL A 54 1.383 -5.291 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 54 1.891 -7.090 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.256 -8.975 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.335 -7.499 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.681 -7.997 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.528 -8.848 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.081 -7.873 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.307 -7.273 0.762 1.00 0.00 H new ATOM 826 N PHE A 55 2.622 -4.382 1.438 1.00 0.00 N ATOM 827 CA PHE A 55 3.245 -3.532 2.387 1.00 0.00 C ATOM 828 C PHE A 55 2.538 -3.692 3.720 1.00 0.00 C ATOM 829 O PHE A 55 1.378 -4.114 3.748 1.00 0.00 O ATOM 830 CB PHE A 55 3.182 -2.070 1.898 1.00 0.00 C ATOM 831 CG PHE A 55 1.792 -1.488 1.715 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.128 -0.881 2.773 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.164 -1.539 0.480 1.00 0.00 C ATOM 834 CE1 PHE A 55 -0.130 -0.344 2.604 1.00 0.00 C ATOM 835 CE2 PHE A 55 -0.093 -1.001 0.305 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.742 -0.404 1.368 1.00 0.00 C ATOM 0 H PHE A 55 1.641 -4.577 1.640 1.00 0.00 H new ATOM 0 HA PHE A 55 4.294 -3.801 2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.724 -1.447 2.609 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.710 -2.003 0.947 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.604 -0.829 3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.666 -2.006 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.636 0.123 3.436 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.570 -1.046 -0.663 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.728 0.016 1.232 1.00 0.00 H new ATOM 846 N PRO A 56 3.201 -3.409 4.834 1.00 0.00 N ATOM 847 CA PRO A 56 2.576 -3.494 6.132 1.00 0.00 C ATOM 848 C PRO A 56 1.690 -2.273 6.404 1.00 0.00 C ATOM 849 O PRO A 56 2.100 -1.126 6.167 1.00 0.00 O ATOM 850 CB PRO A 56 3.759 -3.534 7.111 1.00 0.00 C ATOM 851 CG PRO A 56 4.988 -3.584 6.261 1.00 0.00 C ATOM 852 CD PRO A 56 4.606 -3.009 4.942 1.00 0.00 C ATOM 0 HA PRO A 56 1.922 -4.362 6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.764 -2.654 7.755 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.698 -4.406 7.763 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.798 -3.013 6.714 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.343 -4.609 6.151 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.725 -1.926 4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.210 -3.414 4.130 1.00 0.00 H new ATOM 860 N ASP A 57 0.494 -2.542 6.909 1.00 0.00 N ATOM 861 CA ASP A 57 -0.540 -1.529 7.273 1.00 0.00 C ATOM 862 C ASP A 57 0.031 -0.333 8.046 1.00 0.00 C ATOM 863 O ASP A 57 -0.349 0.806 7.813 1.00 0.00 O ATOM 864 CB ASP A 57 -1.633 -2.224 8.113 1.00 0.00 C ATOM 865 CG ASP A 57 -2.549 -1.276 8.886 1.00 0.00 C ATOM 866 OD1 ASP A 57 -2.186 -0.880 10.028 1.00 0.00 O ATOM 867 OD2 ASP A 57 -3.640 -0.956 8.414 1.00 0.00 O ATOM 0 H ASP A 57 0.187 -3.498 7.090 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.951 -1.127 6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.244 -2.838 7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.153 -2.900 8.821 1.00 0.00 H new ATOM 872 N ASN A 58 0.988 -0.606 8.911 1.00 0.00 N ATOM 873 CA ASN A 58 1.594 0.402 9.800 1.00 0.00 C ATOM 874 C ASN A 58 2.323 1.513 9.053 1.00 0.00 C ATOM 875 O ASN A 58 2.592 2.569 9.620 1.00 0.00 O ATOM 876 CB ASN A 58 2.563 -0.259 10.778 1.00 0.00 C ATOM 877 CG ASN A 58 1.882 -1.219 11.718 1.00 0.00 C ATOM 878 OD1 ASN A 58 1.714 -2.398 11.399 1.00 0.00 O ATOM 879 ND2 ASN A 58 1.497 -0.751 12.875 1.00 0.00 N ATOM 0 H ASN A 58 1.380 -1.540 9.028 1.00 0.00 H new ATOM 0 HA ASN A 58 0.763 0.861 10.336 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.331 -0.791 10.217 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.069 0.513 11.358 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.041 -1.367 13.548 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.652 0.230 13.105 1.00 0.00 H new ATOM 886 N PHE A 59 2.630 1.294 7.801 1.00 0.00 N ATOM 887 CA PHE A 59 3.370 2.276 7.034 1.00 0.00 C ATOM 888 C PHE A 59 2.453 3.171 6.206 1.00 0.00 C ATOM 889 O PHE A 59 2.926 4.072 5.496 1.00 0.00 O ATOM 890 CB PHE A 59 4.425 1.598 6.151 1.00 0.00 C ATOM 891 CG PHE A 59 5.588 1.010 6.914 1.00 0.00 C ATOM 892 CD1 PHE A 59 5.453 -0.171 7.622 1.00 0.00 C ATOM 893 CD2 PHE A 59 6.814 1.655 6.928 1.00 0.00 C ATOM 894 CE1 PHE A 59 6.515 -0.700 8.325 1.00 0.00 C ATOM 895 CE2 PHE A 59 7.882 1.134 7.632 1.00 0.00 C ATOM 896 CZ PHE A 59 7.732 -0.048 8.332 1.00 0.00 C ATOM 0 H PHE A 59 2.382 0.448 7.287 1.00 0.00 H new ATOM 0 HA PHE A 59 3.883 2.921 7.747 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.946 0.806 5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.806 2.327 5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.503 -0.685 7.624 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.936 2.578 6.381 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.395 -1.624 8.870 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.831 1.649 7.635 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.564 -0.461 8.883 1.00 0.00 H new ATOM 906 N ALA A 60 1.152 2.964 6.317 1.00 0.00 N ATOM 907 CA ALA A 60 0.207 3.731 5.535 1.00 0.00 C ATOM 908 C ALA A 60 -1.066 4.029 6.322 1.00 0.00 C ATOM 909 O ALA A 60 -1.265 3.518 7.426 1.00 0.00 O ATOM 910 CB ALA A 60 -0.127 2.997 4.241 1.00 0.00 C ATOM 0 H ALA A 60 0.731 2.274 6.939 1.00 0.00 H new ATOM 0 HA ALA A 60 0.675 4.685 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.839 3.585 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.783 2.854 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.564 2.027 4.476 1.00 0.00 H new ATOM 916 N VAL A 61 -1.890 4.883 5.761 1.00 0.00 N ATOM 917 CA VAL A 61 -3.173 5.235 6.322 1.00 0.00 C ATOM 918 C VAL A 61 -4.184 5.295 5.168 1.00 0.00 C ATOM 919 O VAL A 61 -3.895 5.884 4.119 1.00 0.00 O ATOM 920 CB VAL A 61 -3.102 6.601 7.092 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.733 7.775 6.191 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.381 6.882 7.845 1.00 0.00 C ATOM 0 H VAL A 61 -1.683 5.362 4.885 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.482 4.487 7.052 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.294 6.495 7.816 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.700 8.691 6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.755 7.597 5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.479 7.878 5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.295 7.836 8.366 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.214 6.926 7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.558 6.088 8.570 1.00 0.00 H new ATOM 932 N GLN A 62 -5.325 4.663 5.316 1.00 0.00 N ATOM 933 CA GLN A 62 -6.278 4.629 4.232 1.00 0.00 C ATOM 934 C GLN A 62 -7.118 5.898 4.231 1.00 0.00 C ATOM 935 O GLN A 62 -7.743 6.240 5.237 1.00 0.00 O ATOM 936 CB GLN A 62 -7.166 3.389 4.293 1.00 0.00 C ATOM 937 CG GLN A 62 -7.949 3.176 3.012 1.00 0.00 C ATOM 938 CD GLN A 62 -8.872 1.985 3.045 1.00 0.00 C ATOM 939 OE1 GLN A 62 -8.631 1.001 3.744 1.00 0.00 O ATOM 940 NE2 GLN A 62 -9.903 2.049 2.264 1.00 0.00 N ATOM 0 H GLN A 62 -5.613 4.172 6.163 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.718 4.576 3.298 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.548 2.512 4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.860 3.483 5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.536 4.071 2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.248 3.056 2.186 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.065 2.884 1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.553 1.264 2.212 1.00 0.00 H new ATOM 949 N ILE A 63 -7.139 6.570 3.104 1.00 0.00 N ATOM 950 CA ILE A 63 -7.828 7.842 2.968 1.00 0.00 C ATOM 951 C ILE A 63 -9.255 7.579 2.535 1.00 0.00 C ATOM 952 O ILE A 63 -10.216 8.013 3.171 1.00 0.00 O ATOM 953 CB ILE A 63 -7.149 8.722 1.878 1.00 0.00 C ATOM 954 CG1 ILE A 63 -5.630 8.789 2.092 1.00 0.00 C ATOM 955 CG2 ILE A 63 -7.744 10.128 1.873 1.00 0.00 C ATOM 956 CD1 ILE A 63 -5.211 9.388 3.431 1.00 0.00 C ATOM 0 H ILE A 63 -6.679 6.253 2.250 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.794 8.361 3.926 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.338 8.259 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.219 7.783 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.187 9.378 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.256 10.727 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.812 10.070 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.589 10.592 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.123 9.398 3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.589 10.407 3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.621 8.787 4.243 1.00 0.00 H new ATOM 968 N SER A 64 -9.380 6.831 1.492 1.00 0.00 N ATOM 969 CA SER A 64 -10.636 6.505 0.933 1.00 0.00 C ATOM 970 C SER A 64 -10.797 5.027 1.126 1.00 0.00 C ATOM 971 O SER A 64 -9.932 4.287 0.646 1.00 0.00 O ATOM 972 CB SER A 64 -10.657 6.896 -0.548 1.00 0.00 C ATOM 973 OG SER A 64 -11.943 6.750 -1.138 1.00 0.00 O ATOM 974 OXT SER A 64 -11.754 4.608 1.824 1.00 0.00 O ATOM 0 H SER A 64 -8.588 6.422 0.996 1.00 0.00 H new ATOM 0 HA SER A 64 -11.459 7.041 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.331 7.931 -0.651 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.941 6.280 -1.092 1.00 0.00 H new ATOM 0 HG SER A 64 -11.902 7.014 -2.081 1.00 0.00 H new