USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 405 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 43 LYS NZ :NH3+ -179:sc= 0.00219 (180deg=0.00218) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= -0.0495 USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 32:sc= 0.00286 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00327 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.000115 X(o=-0.00012,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0.0192 USER MOD Single : A 57 ASN : amide:sc= -0.419 K(o=-0.42,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 0.238 6.028 -1.563 1.00 0.00 N ATOM 67 CA LYS A 8 0.400 5.857 -0.129 1.00 0.00 C ATOM 68 C LYS A 8 1.070 4.509 0.147 1.00 0.00 C ATOM 69 O LYS A 8 1.150 3.659 -0.738 1.00 0.00 O ATOM 70 CB LYS A 8 -0.941 6.035 0.586 1.00 0.00 C ATOM 71 CG LYS A 8 -0.895 7.224 1.548 1.00 0.00 C ATOM 72 CD LYS A 8 -2.292 7.553 2.080 1.00 0.00 C ATOM 73 CE LYS A 8 -2.216 8.545 3.242 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.574 8.970 3.650 1.00 0.00 N ATOM 0 HA LYS A 8 1.056 6.628 0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.732 6.187 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.187 5.127 1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.229 6.997 2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.482 8.094 1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.901 7.972 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.784 6.638 2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.703 8.086 4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.629 9.415 2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.504 9.643 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.051 9.427 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.122 8.139 3.951 1.00 0.00 H new ATOM 88 N TYR A 9 1.533 4.356 1.379 1.00 0.00 N ATOM 89 CA TYR A 9 2.194 3.127 1.782 1.00 0.00 C ATOM 90 C TYR A 9 1.828 2.755 3.221 1.00 0.00 C ATOM 91 O TYR A 9 1.133 3.507 3.903 1.00 0.00 O ATOM 92 CB TYR A 9 3.695 3.410 1.707 1.00 0.00 C ATOM 93 CG TYR A 9 4.244 3.480 0.281 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.454 2.319 -0.436 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.530 4.704 -0.289 1.00 0.00 C ATOM 96 CE1 TYR A 9 4.971 2.385 -1.779 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.047 4.770 -1.632 1.00 0.00 C ATOM 98 CZ TYR A 9 5.242 3.608 -2.310 1.00 0.00 C ATOM 99 OH TYR A 9 5.730 3.670 -3.578 1.00 0.00 O ATOM 0 H TYR A 9 1.463 5.063 2.111 1.00 0.00 H new ATOM 0 HA TYR A 9 1.893 2.300 1.139 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.902 4.354 2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.229 2.632 2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.231 1.361 0.010 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.366 5.612 0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.140 1.485 -2.351 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.275 5.721 -2.090 1.00 0.00 H new ATOM 0 HH TYR A 9 5.369 2.927 -4.104 1.00 0.00 H new ATOM 109 N VAL A 10 2.313 1.595 3.640 1.00 0.00 N ATOM 110 CA VAL A 10 2.046 1.115 4.985 1.00 0.00 C ATOM 111 C VAL A 10 3.344 0.588 5.601 1.00 0.00 C ATOM 112 O VAL A 10 4.173 0.004 4.905 1.00 0.00 O ATOM 113 CB VAL A 10 0.931 0.068 4.955 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.395 -1.208 4.251 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.428 -0.237 6.368 1.00 0.00 C ATOM 0 H VAL A 10 2.889 0.974 3.072 1.00 0.00 H new ATOM 0 HA VAL A 10 1.693 1.929 5.618 1.00 0.00 H new ATOM 0 HB VAL A 10 0.099 0.481 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.583 -1.935 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.682 -0.974 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.251 -1.625 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.364 -0.984 6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.251 -0.619 6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.039 0.675 6.820 1.00 0.00 H new ATOM 125 N LYS A 11 3.480 0.814 6.899 1.00 0.00 N ATOM 126 CA LYS A 11 4.663 0.369 7.616 1.00 0.00 C ATOM 127 C LYS A 11 4.288 -0.791 8.540 1.00 0.00 C ATOM 128 O LYS A 11 3.672 -0.583 9.585 1.00 0.00 O ATOM 129 CB LYS A 11 5.324 1.544 8.341 1.00 0.00 C ATOM 130 CG LYS A 11 6.770 1.213 8.716 1.00 0.00 C ATOM 131 CD LYS A 11 7.083 1.665 10.144 1.00 0.00 C ATOM 132 CE LYS A 11 7.744 0.541 10.942 1.00 0.00 C ATOM 133 NZ LYS A 11 7.502 0.722 12.391 1.00 0.00 N ATOM 0 H LYS A 11 2.791 1.299 7.473 1.00 0.00 H new ATOM 0 HA LYS A 11 5.412 -0.007 6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.303 2.428 7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.758 1.786 9.240 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.936 0.140 8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.451 1.701 8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.741 2.533 10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.164 1.976 10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.350 -0.423 10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.816 0.529 10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.958 -0.050 12.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.899 1.633 12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.479 0.711 12.576 1.00 0.00 H new ATOM 147 N ILE A 12 4.675 -1.987 8.123 1.00 0.00 N ATOM 148 CA ILE A 12 4.387 -3.181 8.900 1.00 0.00 C ATOM 149 C ILE A 12 4.781 -2.941 10.359 1.00 0.00 C ATOM 150 O ILE A 12 5.926 -2.598 10.648 1.00 0.00 O ATOM 151 CB ILE A 12 5.061 -4.403 8.274 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.611 -4.596 6.824 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.820 -5.656 9.120 1.00 0.00 C ATOM 154 CD1 ILE A 12 3.086 -4.676 6.730 1.00 0.00 C ATOM 0 H ILE A 12 5.186 -2.155 7.256 1.00 0.00 H new ATOM 0 HA ILE A 12 3.318 -3.395 8.889 1.00 0.00 H new ATOM 0 HB ILE A 12 6.137 -4.227 8.257 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.974 -3.769 6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.052 -5.507 6.421 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.310 -6.510 8.653 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.229 -5.505 10.119 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.749 -5.846 9.192 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.792 -4.813 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.729 -5.519 7.322 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.649 -3.753 7.112 1.00 0.00 H new ATOM 166 N LEU A 13 3.810 -3.132 11.240 1.00 0.00 N ATOM 167 CA LEU A 13 4.041 -2.941 12.662 1.00 0.00 C ATOM 168 C LEU A 13 4.517 -4.258 13.278 1.00 0.00 C ATOM 169 O LEU A 13 5.316 -4.257 14.213 1.00 0.00 O ATOM 170 CB LEU A 13 2.794 -2.363 13.334 1.00 0.00 C ATOM 171 CG LEU A 13 2.240 -1.074 12.724 1.00 0.00 C ATOM 172 CD1 LEU A 13 0.976 -0.620 13.456 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.309 0.021 12.693 1.00 0.00 C ATOM 0 H LEU A 13 2.861 -3.417 10.997 1.00 0.00 H new ATOM 0 HA LEU A 13 4.831 -2.208 12.825 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.009 -3.119 13.310 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.025 -2.175 14.383 1.00 0.00 H new ATOM 0 HG LEU A 13 1.958 -1.278 11.691 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.603 0.298 13.002 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.214 -1.396 13.383 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.209 -0.438 14.505 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.890 0.927 12.255 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.644 0.231 13.709 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.155 -0.314 12.093 1.00 0.00 H new ATOM 185 N TYR A 14 4.006 -5.351 12.729 1.00 0.00 N ATOM 186 CA TYR A 14 4.369 -6.672 13.213 1.00 0.00 C ATOM 187 C TYR A 14 4.708 -7.607 12.051 1.00 0.00 C ATOM 188 O TYR A 14 4.006 -7.628 11.041 1.00 0.00 O ATOM 189 CB TYR A 14 3.135 -7.208 13.941 1.00 0.00 C ATOM 190 CG TYR A 14 2.572 -6.254 14.996 1.00 0.00 C ATOM 191 CD1 TYR A 14 1.736 -5.223 14.619 1.00 0.00 C ATOM 192 CD2 TYR A 14 2.899 -6.426 16.326 1.00 0.00 C ATOM 193 CE1 TYR A 14 1.206 -4.325 15.612 1.00 0.00 C ATOM 194 CE2 TYR A 14 2.369 -5.529 17.319 1.00 0.00 C ATOM 195 CZ TYR A 14 1.549 -4.523 16.914 1.00 0.00 C ATOM 196 OH TYR A 14 1.048 -3.675 17.852 1.00 0.00 O ATOM 0 H TYR A 14 3.343 -5.348 11.954 1.00 0.00 H new ATOM 0 HA TYR A 14 5.245 -6.617 13.860 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.358 -7.422 13.208 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.390 -8.153 14.420 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.479 -5.090 13.579 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.552 -7.234 16.621 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.552 -3.513 15.330 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.617 -5.652 18.363 1.00 0.00 H new ATOM 0 HH TYR A 14 1.376 -3.936 18.738 1.00 0.00 H new ATOM 206 N ASP A 15 5.784 -8.359 12.233 1.00 0.00 N ATOM 207 CA ASP A 15 6.224 -9.295 11.212 1.00 0.00 C ATOM 208 C ASP A 15 5.140 -10.352 10.993 1.00 0.00 C ATOM 209 O ASP A 15 4.856 -11.149 11.885 1.00 0.00 O ATOM 210 CB ASP A 15 7.505 -10.013 11.640 1.00 0.00 C ATOM 211 CG ASP A 15 7.586 -10.362 13.127 1.00 0.00 C ATOM 212 OD1 ASP A 15 7.706 -9.409 13.927 1.00 0.00 O ATOM 213 OD2 ASP A 15 7.525 -11.573 13.431 1.00 0.00 O ATOM 0 H ASP A 15 6.364 -8.339 13.072 1.00 0.00 H new ATOM 0 HA ASP A 15 6.413 -8.733 10.298 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.599 -10.932 11.061 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.358 -9.385 11.383 1.00 0.00 H new ATOM 218 N PHE A 16 4.563 -10.323 9.801 1.00 0.00 N ATOM 219 CA PHE A 16 3.516 -11.269 9.453 1.00 0.00 C ATOM 220 C PHE A 16 4.017 -12.290 8.429 1.00 0.00 C ATOM 221 O PHE A 16 4.740 -11.937 7.499 1.00 0.00 O ATOM 222 CB PHE A 16 2.372 -10.463 8.834 1.00 0.00 C ATOM 223 CG PHE A 16 1.112 -11.284 8.556 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.176 -11.444 9.529 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.928 -11.854 7.334 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.994 -12.206 9.270 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.242 -12.616 7.076 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.179 -12.776 8.049 1.00 0.00 C ATOM 0 H PHE A 16 4.800 -9.659 9.064 1.00 0.00 H new ATOM 0 HA PHE A 16 3.196 -11.813 10.342 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.117 -9.641 9.503 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.718 -10.019 7.900 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.322 -10.992 10.499 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.671 -11.727 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.737 -12.333 10.043 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.388 -13.069 6.106 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.069 -13.355 7.852 1.00 0.00 H new ATOM 238 N THR A 17 3.613 -13.534 8.636 1.00 0.00 N ATOM 239 CA THR A 17 4.012 -14.609 7.742 1.00 0.00 C ATOM 240 C THR A 17 2.786 -15.210 7.051 1.00 0.00 C ATOM 241 O THR A 17 1.872 -15.697 7.714 1.00 0.00 O ATOM 242 CB THR A 17 4.812 -15.628 8.556 1.00 0.00 C ATOM 243 OG1 THR A 17 6.085 -15.012 8.727 1.00 0.00 O ATOM 244 CG2 THR A 17 5.117 -16.900 7.763 1.00 0.00 C ATOM 0 H THR A 17 3.014 -13.822 9.409 1.00 0.00 H new ATOM 0 HA THR A 17 4.650 -14.240 6.939 1.00 0.00 H new ATOM 0 HB THR A 17 4.259 -15.887 9.459 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.668 -15.604 9.247 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.686 -17.590 8.386 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.183 -17.372 7.459 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.700 -16.646 6.878 1.00 0.00 H new ATOM 252 N ALA A 18 2.807 -15.157 5.728 1.00 0.00 N ATOM 253 CA ALA A 18 1.709 -15.691 4.940 1.00 0.00 C ATOM 254 C ALA A 18 1.417 -17.125 5.386 1.00 0.00 C ATOM 255 O ALA A 18 2.248 -18.015 5.211 1.00 0.00 O ATOM 256 CB ALA A 18 2.058 -15.602 3.452 1.00 0.00 C ATOM 0 H ALA A 18 3.567 -14.752 5.181 1.00 0.00 H new ATOM 0 HA ALA A 18 0.803 -15.106 5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.235 -16.002 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.227 -14.560 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.961 -16.180 3.255 1.00 0.00 H new ATOM 324 N GLU A 23 -2.310 -14.614 1.254 1.00 0.00 N ATOM 325 CA GLU A 23 -1.627 -13.886 2.309 1.00 0.00 C ATOM 326 C GLU A 23 -0.220 -13.491 1.856 1.00 0.00 C ATOM 327 O GLU A 23 0.415 -14.213 1.090 1.00 0.00 O ATOM 328 CB GLU A 23 -1.578 -14.707 3.599 1.00 0.00 C ATOM 329 CG GLU A 23 -2.987 -15.056 4.081 1.00 0.00 C ATOM 330 CD GLU A 23 -2.972 -15.502 5.545 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.770 -16.715 5.767 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.161 -14.619 6.409 1.00 0.00 O ATOM 0 HA GLU A 23 -2.189 -12.976 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.010 -15.622 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.054 -14.145 4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.639 -14.190 3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.401 -15.850 3.460 1.00 0.00 H new ATOM 339 N LEU A 24 0.226 -12.345 2.350 1.00 0.00 N ATOM 340 CA LEU A 24 1.546 -11.846 2.006 1.00 0.00 C ATOM 341 C LEU A 24 2.474 -11.994 3.213 1.00 0.00 C ATOM 342 O LEU A 24 2.032 -11.891 4.356 1.00 0.00 O ATOM 343 CB LEU A 24 1.456 -10.414 1.472 1.00 0.00 C ATOM 344 CG LEU A 24 2.642 -9.935 0.634 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.424 -10.239 -0.850 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.922 -8.451 0.879 1.00 0.00 C ATOM 0 H LEU A 24 -0.304 -11.748 2.986 1.00 0.00 H new ATOM 0 HA LEU A 24 1.977 -12.437 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.552 -10.329 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.339 -9.738 2.319 1.00 0.00 H new ATOM 0 HG LEU A 24 3.528 -10.487 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.282 -9.888 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.310 -11.314 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.524 -9.732 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.770 -8.136 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.043 -7.865 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.152 -8.293 1.933 1.00 0.00 H new ATOM 358 N SER A 25 3.743 -12.234 2.918 1.00 0.00 N ATOM 359 CA SER A 25 4.737 -12.397 3.966 1.00 0.00 C ATOM 360 C SER A 25 5.595 -11.135 4.075 1.00 0.00 C ATOM 361 O SER A 25 6.314 -10.786 3.139 1.00 0.00 O ATOM 362 CB SER A 25 5.620 -13.618 3.701 1.00 0.00 C ATOM 363 OG SER A 25 5.940 -13.757 2.320 1.00 0.00 O ATOM 0 H SER A 25 4.106 -12.320 1.969 1.00 0.00 H new ATOM 0 HA SER A 25 4.216 -12.556 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.540 -13.532 4.279 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.109 -14.517 4.047 1.00 0.00 H new ATOM 0 HG SER A 25 6.506 -14.547 2.193 1.00 0.00 H new ATOM 369 N VAL A 26 5.492 -10.485 5.224 1.00 0.00 N ATOM 370 CA VAL A 26 6.249 -9.269 5.468 1.00 0.00 C ATOM 371 C VAL A 26 6.854 -9.323 6.872 1.00 0.00 C ATOM 372 O VAL A 26 6.406 -10.098 7.715 1.00 0.00 O ATOM 373 CB VAL A 26 5.359 -8.045 5.247 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.961 -7.914 3.775 1.00 0.00 C ATOM 375 CG2 VAL A 26 4.122 -8.097 6.146 1.00 0.00 C ATOM 0 H VAL A 26 4.895 -10.778 5.998 1.00 0.00 H new ATOM 0 HA VAL A 26 7.075 -9.185 4.761 1.00 0.00 H new ATOM 0 HB VAL A 26 5.934 -7.160 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.329 -7.036 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.857 -7.809 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.413 -8.804 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.506 -7.215 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.545 -8.994 5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.432 -8.119 7.191 1.00 0.00 H new ATOM 385 N LEU A 27 7.863 -8.490 7.079 1.00 0.00 N ATOM 386 CA LEU A 27 8.534 -8.432 8.366 1.00 0.00 C ATOM 387 C LEU A 27 8.137 -7.143 9.087 1.00 0.00 C ATOM 388 O LEU A 27 7.373 -6.340 8.554 1.00 0.00 O ATOM 389 CB LEU A 27 10.045 -8.598 8.191 1.00 0.00 C ATOM 390 CG LEU A 27 10.525 -9.993 7.784 1.00 0.00 C ATOM 391 CD1 LEU A 27 9.655 -11.078 8.420 1.00 0.00 C ATOM 392 CD2 LEU A 27 10.588 -10.128 6.261 1.00 0.00 C ATOM 0 H LEU A 27 8.232 -7.849 6.376 1.00 0.00 H new ATOM 0 HA LEU A 27 8.216 -9.261 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.384 -7.885 7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.531 -8.328 9.128 1.00 0.00 H new ATOM 0 HG LEU A 27 11.538 -10.130 8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.017 -12.060 8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.704 -10.994 9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.622 -10.954 8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.932 -11.128 5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.596 -9.963 5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.281 -9.389 5.859 1.00 0.00 H new ATOM 404 N LYS A 28 8.673 -6.985 10.288 1.00 0.00 N ATOM 405 CA LYS A 28 8.383 -5.806 11.088 1.00 0.00 C ATOM 406 C LYS A 28 9.337 -4.678 10.690 1.00 0.00 C ATOM 407 O LYS A 28 10.487 -4.930 10.334 1.00 0.00 O ATOM 408 CB LYS A 28 8.422 -6.148 12.579 1.00 0.00 C ATOM 409 CG LYS A 28 8.373 -4.879 13.433 1.00 0.00 C ATOM 410 CD LYS A 28 8.814 -5.168 14.869 1.00 0.00 C ATOM 411 CE LYS A 28 9.324 -3.898 15.552 1.00 0.00 C ATOM 412 NZ LYS A 28 8.445 -3.529 16.685 1.00 0.00 N ATOM 0 H LYS A 28 9.306 -7.653 10.727 1.00 0.00 H new ATOM 0 HA LYS A 28 7.371 -5.452 10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.580 -6.793 12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.330 -6.708 12.804 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.019 -4.117 12.997 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.360 -4.476 13.434 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.977 -5.578 15.434 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.599 -5.924 14.867 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.342 -4.054 15.910 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.361 -3.081 14.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.806 -2.665 17.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.480 -3.360 16.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.431 -4.303 17.380 1.00 0.00 H new ATOM 426 N ASP A 29 8.825 -3.459 10.765 1.00 0.00 N ATOM 427 CA ASP A 29 9.617 -2.292 10.417 1.00 0.00 C ATOM 428 C ASP A 29 9.730 -2.193 8.894 1.00 0.00 C ATOM 429 O ASP A 29 10.516 -1.400 8.377 1.00 0.00 O ATOM 430 CB ASP A 29 11.031 -2.395 10.990 1.00 0.00 C ATOM 431 CG ASP A 29 11.728 -1.056 11.239 1.00 0.00 C ATOM 432 OD1 ASP A 29 11.382 -0.094 10.520 1.00 0.00 O ATOM 433 OD2 ASP A 29 12.590 -1.024 12.143 1.00 0.00 O ATOM 0 H ASP A 29 7.871 -3.254 11.062 1.00 0.00 H new ATOM 0 HA ASP A 29 9.123 -1.414 10.832 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.986 -2.944 11.930 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.642 -2.984 10.306 1.00 0.00 H new ATOM 438 N GLU A 30 8.934 -3.009 8.219 1.00 0.00 N ATOM 439 CA GLU A 30 8.935 -3.023 6.766 1.00 0.00 C ATOM 440 C GLU A 30 7.869 -2.067 6.225 1.00 0.00 C ATOM 441 O GLU A 30 6.916 -1.733 6.927 1.00 0.00 O ATOM 442 CB GLU A 30 8.722 -4.441 6.232 1.00 0.00 C ATOM 443 CG GLU A 30 10.047 -5.066 5.793 1.00 0.00 C ATOM 444 CD GLU A 30 9.812 -6.217 4.813 1.00 0.00 C ATOM 445 OE1 GLU A 30 8.828 -6.120 4.048 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.622 -7.169 4.850 1.00 0.00 O ATOM 0 H GLU A 30 8.284 -3.665 8.651 1.00 0.00 H new ATOM 0 HA GLU A 30 9.910 -2.682 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.262 -5.059 7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.031 -4.416 5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.674 -4.307 5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.588 -5.432 6.666 1.00 0.00 H new ATOM 453 N VAL A 31 8.067 -1.654 4.982 1.00 0.00 N ATOM 454 CA VAL A 31 7.135 -0.744 4.339 1.00 0.00 C ATOM 455 C VAL A 31 6.671 -1.348 3.012 1.00 0.00 C ATOM 456 O VAL A 31 7.454 -1.460 2.069 1.00 0.00 O ATOM 457 CB VAL A 31 7.779 0.635 4.175 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.927 1.535 3.279 1.00 0.00 C ATOM 459 CG2 VAL A 31 8.026 1.290 5.535 1.00 0.00 C ATOM 0 H VAL A 31 8.859 -1.933 4.403 1.00 0.00 H new ATOM 0 HA VAL A 31 6.250 -0.604 4.959 1.00 0.00 H new ATOM 0 HB VAL A 31 8.745 0.498 3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.407 2.508 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.826 1.078 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.940 1.661 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.484 2.268 5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.078 1.408 6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.692 0.662 6.126 1.00 0.00 H new ATOM 469 N LEU A 32 5.401 -1.723 2.981 1.00 0.00 N ATOM 470 CA LEU A 32 4.823 -2.313 1.786 1.00 0.00 C ATOM 471 C LEU A 32 3.947 -1.275 1.082 1.00 0.00 C ATOM 472 O LEU A 32 3.777 -0.162 1.577 1.00 0.00 O ATOM 473 CB LEU A 32 4.086 -3.609 2.131 1.00 0.00 C ATOM 474 CG LEU A 32 4.966 -4.801 2.512 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.805 -5.266 1.320 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.833 -4.475 3.730 1.00 0.00 C ATOM 0 H LEU A 32 4.755 -1.630 3.765 1.00 0.00 H new ATOM 0 HA LEU A 32 5.607 -2.597 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.405 -3.407 2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.474 -3.894 1.276 1.00 0.00 H new ATOM 0 HG LEU A 32 4.316 -5.630 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.421 -6.114 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.145 -5.565 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.447 -4.450 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.449 -5.339 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.476 -3.625 3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.193 -4.229 4.577 1.00 0.00 H new ATOM 488 N GLU A 33 3.413 -1.677 -0.062 1.00 0.00 N ATOM 489 CA GLU A 33 2.558 -0.795 -0.839 1.00 0.00 C ATOM 490 C GLU A 33 1.105 -1.270 -0.771 1.00 0.00 C ATOM 491 O GLU A 33 0.821 -2.446 -0.994 1.00 0.00 O ATOM 492 CB GLU A 33 3.038 -0.704 -2.289 1.00 0.00 C ATOM 493 CG GLU A 33 2.042 0.078 -3.148 1.00 0.00 C ATOM 494 CD GLU A 33 2.739 0.714 -4.353 1.00 0.00 C ATOM 495 OE1 GLU A 33 3.939 1.032 -4.212 1.00 0.00 O ATOM 496 OE2 GLU A 33 2.055 0.868 -5.388 1.00 0.00 O ATOM 0 H GLU A 33 3.556 -2.601 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 33 2.614 0.205 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.013 -0.218 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.167 -1.707 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.250 -0.588 -3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.568 0.853 -2.546 1.00 0.00 H new ATOM 503 N VAL A 34 0.223 -0.330 -0.463 1.00 0.00 N ATOM 504 CA VAL A 34 -1.193 -0.638 -0.363 1.00 0.00 C ATOM 505 C VAL A 34 -1.819 -0.599 -1.759 1.00 0.00 C ATOM 506 O VAL A 34 -1.644 0.372 -2.494 1.00 0.00 O ATOM 507 CB VAL A 34 -1.868 0.320 0.622 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.807 1.762 0.114 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.312 -0.105 0.896 1.00 0.00 C ATOM 0 H VAL A 34 0.462 0.645 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.339 -1.644 0.030 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.321 0.274 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.294 2.422 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.766 2.062 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.318 1.831 -0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.769 0.592 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.876 -0.102 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.321 -1.108 1.322 1.00 0.00 H new ATOM 519 N LEU A 35 -2.535 -1.665 -2.081 1.00 0.00 N ATOM 520 CA LEU A 35 -3.188 -1.765 -3.375 1.00 0.00 C ATOM 521 C LEU A 35 -4.685 -1.501 -3.208 1.00 0.00 C ATOM 522 O LEU A 35 -5.239 -0.616 -3.859 1.00 0.00 O ATOM 523 CB LEU A 35 -2.871 -3.110 -4.033 1.00 0.00 C ATOM 524 CG LEU A 35 -1.435 -3.291 -4.529 1.00 0.00 C ATOM 525 CD1 LEU A 35 -0.465 -3.445 -3.356 1.00 0.00 C ATOM 526 CD2 LEU A 35 -1.337 -4.462 -5.510 1.00 0.00 C ATOM 0 H LEU A 35 -2.678 -2.468 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.803 -1.005 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.090 -3.903 -3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.546 -3.247 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.145 -2.391 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.549 -3.572 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.508 -2.555 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.743 -4.318 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.306 -4.569 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.653 -5.380 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.982 -4.273 -6.368 1.00 0.00 H new ATOM 538 N GLU A 36 -5.298 -2.283 -2.333 1.00 0.00 N ATOM 539 CA GLU A 36 -6.721 -2.145 -2.072 1.00 0.00 C ATOM 540 C GLU A 36 -6.964 -1.875 -0.586 1.00 0.00 C ATOM 541 O GLU A 36 -6.414 -2.563 0.272 1.00 0.00 O ATOM 542 CB GLU A 36 -7.487 -3.385 -2.537 1.00 0.00 C ATOM 543 CG GLU A 36 -8.110 -3.160 -3.916 1.00 0.00 C ATOM 544 CD GLU A 36 -8.983 -1.904 -3.925 1.00 0.00 C ATOM 545 OE1 GLU A 36 -10.077 -1.969 -3.324 1.00 0.00 O ATOM 546 OE2 GLU A 36 -8.537 -0.907 -4.533 1.00 0.00 O ATOM 0 H GLU A 36 -4.835 -3.015 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.094 -1.294 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.813 -4.241 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.268 -3.626 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.322 -3.065 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.710 -4.026 -4.194 1.00 0.00 H new ATOM 553 N ASP A 37 -7.790 -0.872 -0.327 1.00 0.00 N ATOM 554 CA ASP A 37 -8.113 -0.502 1.041 1.00 0.00 C ATOM 555 C ASP A 37 -9.630 -0.360 1.182 1.00 0.00 C ATOM 556 O ASP A 37 -10.357 -0.418 0.191 1.00 0.00 O ATOM 557 CB ASP A 37 -7.476 0.838 1.415 1.00 0.00 C ATOM 558 CG ASP A 37 -8.274 2.073 0.993 1.00 0.00 C ATOM 559 OD1 ASP A 37 -9.235 2.404 1.721 1.00 0.00 O ATOM 560 OD2 ASP A 37 -7.905 2.659 -0.047 1.00 0.00 O ATOM 0 H ASP A 37 -8.245 -0.304 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.728 -1.280 1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.335 0.867 2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.486 0.892 0.962 1.00 0.00 H new ATOM 565 N GLY A 38 -10.063 -0.176 2.420 1.00 0.00 N ATOM 566 CA GLY A 38 -11.480 -0.026 2.703 1.00 0.00 C ATOM 567 C GLY A 38 -12.148 -1.388 2.898 1.00 0.00 C ATOM 568 O GLY A 38 -13.374 -1.491 2.879 1.00 0.00 O ATOM 0 H GLY A 38 -9.457 -0.127 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.613 0.580 3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.964 0.506 1.884 1.00 0.00 H new ATOM 572 N ARG A 39 -11.313 -2.400 3.082 1.00 0.00 N ATOM 573 CA ARG A 39 -11.808 -3.752 3.280 1.00 0.00 C ATOM 574 C ARG A 39 -11.209 -4.355 4.553 1.00 0.00 C ATOM 575 O ARG A 39 -10.164 -3.908 5.023 1.00 0.00 O ATOM 576 CB ARG A 39 -11.460 -4.646 2.088 1.00 0.00 C ATOM 577 CG ARG A 39 -12.566 -5.672 1.832 1.00 0.00 C ATOM 578 CD ARG A 39 -13.768 -5.023 1.144 1.00 0.00 C ATOM 579 NE ARG A 39 -13.637 -5.145 -0.325 1.00 0.00 N ATOM 580 CZ ARG A 39 -13.833 -6.283 -1.005 1.00 0.00 C ATOM 581 NH1 ARG A 39 -14.169 -7.404 -0.352 1.00 0.00 N ATOM 582 NH2 ARG A 39 -13.692 -6.301 -2.337 1.00 0.00 N ATOM 0 H ARG A 39 -10.297 -2.311 3.098 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.893 -3.698 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.315 -4.033 1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.518 -5.161 2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.180 -6.481 1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.880 -6.117 2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.689 -5.501 1.476 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.835 -3.972 1.425 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.381 -4.311 -0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.276 -7.391 0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.318 -8.270 -0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.435 -5.448 -2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.841 -7.168 -2.854 1.00 0.00 H new ATOM 596 N GLN A 40 -11.898 -5.360 5.074 1.00 0.00 N ATOM 597 CA GLN A 40 -11.447 -6.028 6.283 1.00 0.00 C ATOM 598 C GLN A 40 -9.924 -6.178 6.270 1.00 0.00 C ATOM 599 O GLN A 40 -9.239 -5.655 7.148 1.00 0.00 O ATOM 600 CB GLN A 40 -12.130 -7.387 6.445 1.00 0.00 C ATOM 601 CG GLN A 40 -13.573 -7.222 6.926 1.00 0.00 C ATOM 602 CD GLN A 40 -14.467 -8.334 6.373 1.00 0.00 C ATOM 603 OE1 GLN A 40 -14.482 -9.453 6.859 1.00 0.00 O ATOM 604 NE2 GLN A 40 -15.207 -7.965 5.332 1.00 0.00 N ATOM 0 H GLN A 40 -12.765 -5.728 4.681 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.725 -5.414 7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.119 -7.919 5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.573 -7.995 7.157 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.601 -7.237 8.016 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.956 -6.252 6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.146 -7.011 4.975 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.836 -8.635 4.890 1.00 0.00 H new ATOM 613 N TRP A 41 -9.440 -6.893 5.266 1.00 0.00 N ATOM 614 CA TRP A 41 -8.011 -7.118 5.128 1.00 0.00 C ATOM 615 C TRP A 41 -7.513 -6.283 3.947 1.00 0.00 C ATOM 616 O TRP A 41 -8.166 -6.222 2.906 1.00 0.00 O ATOM 617 CB TRP A 41 -7.703 -8.609 4.979 1.00 0.00 C ATOM 618 CG TRP A 41 -7.829 -9.404 6.280 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.833 -9.382 7.167 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.871 -10.347 6.807 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.594 -10.237 8.223 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.363 -10.843 7.998 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.631 -10.767 6.296 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.681 -11.785 8.776 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -4.961 -11.709 7.086 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.443 -12.217 8.286 1.00 0.00 C ATOM 0 H TRP A 41 -10.012 -7.324 4.540 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.482 -6.800 6.026 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.378 -9.036 4.237 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.690 -8.723 4.592 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.718 -8.771 7.068 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.208 -10.395 9.022 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.227 -10.393 5.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.088 -12.159 9.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.003 -12.066 6.738 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.865 -12.943 8.839 1.00 0.00 H new ATOM 637 N TRP A 42 -6.360 -5.662 4.147 1.00 0.00 N ATOM 638 CA TRP A 42 -5.767 -4.833 3.111 1.00 0.00 C ATOM 639 C TRP A 42 -5.001 -5.749 2.155 1.00 0.00 C ATOM 640 O TRP A 42 -4.667 -6.879 2.506 1.00 0.00 O ATOM 641 CB TRP A 42 -4.891 -3.737 3.721 1.00 0.00 C ATOM 642 CG TRP A 42 -5.677 -2.546 4.271 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.006 -2.391 4.330 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.124 -1.341 4.842 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.350 -1.179 4.895 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.169 -0.521 5.216 1.00 0.00 C ATOM 647 CE3 TRP A 42 -3.786 -0.957 5.036 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -5.984 0.735 5.807 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.618 0.301 5.627 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.659 1.139 6.009 1.00 0.00 C ATOM 0 H TRP A 42 -5.820 -5.716 5.011 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.538 -4.308 2.547 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.295 -4.168 4.525 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.193 -3.380 2.963 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.719 -3.122 3.980 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.296 -0.831 5.048 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.953 -1.583 4.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.819 1.358 6.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.608 0.644 5.798 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.447 2.097 6.460 1.00 0.00 H new ATOM 661 N LYS A 43 -4.745 -5.226 0.964 1.00 0.00 N ATOM 662 CA LYS A 43 -4.024 -5.983 -0.046 1.00 0.00 C ATOM 663 C LYS A 43 -2.782 -5.199 -0.474 1.00 0.00 C ATOM 664 O LYS A 43 -2.890 -4.187 -1.166 1.00 0.00 O ATOM 665 CB LYS A 43 -4.952 -6.347 -1.206 1.00 0.00 C ATOM 666 CG LYS A 43 -4.418 -7.556 -1.977 1.00 0.00 C ATOM 667 CD LYS A 43 -4.924 -7.553 -3.421 1.00 0.00 C ATOM 668 CE LYS A 43 -4.347 -8.732 -4.207 1.00 0.00 C ATOM 669 NZ LYS A 43 -5.435 -9.578 -4.746 1.00 0.00 N ATOM 0 H LYS A 43 -5.024 -4.288 0.676 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.677 -6.932 0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.949 -6.566 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.049 -5.496 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.328 -7.544 -1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.730 -8.475 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.013 -7.604 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.646 -6.617 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.727 -8.363 -5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.702 -9.327 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.026 -10.383 -5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.021 -9.931 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.024 -9.016 -5.393 1.00 0.00 H new ATOM 683 N LEU A 44 -1.631 -5.695 -0.045 1.00 0.00 N ATOM 684 CA LEU A 44 -0.370 -5.053 -0.375 1.00 0.00 C ATOM 685 C LEU A 44 0.384 -5.914 -1.391 1.00 0.00 C ATOM 686 O LEU A 44 0.025 -7.068 -1.620 1.00 0.00 O ATOM 687 CB LEU A 44 0.430 -4.758 0.895 1.00 0.00 C ATOM 688 CG LEU A 44 -0.389 -4.393 2.134 1.00 0.00 C ATOM 689 CD1 LEU A 44 -1.355 -3.244 1.834 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.114 -5.619 2.694 1.00 0.00 C ATOM 0 H LEU A 44 -1.545 -6.534 0.528 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.546 -4.085 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.037 -5.633 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.118 -3.939 0.685 1.00 0.00 H new ATOM 0 HG LEU A 44 0.297 -4.044 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.925 -3.004 2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.790 -2.367 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.038 -3.542 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.689 -5.331 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.787 -6.021 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.383 -6.379 2.970 1.00 0.00 H new ATOM 702 N ARG A 45 1.416 -5.319 -1.972 1.00 0.00 N ATOM 703 CA ARG A 45 2.224 -6.017 -2.958 1.00 0.00 C ATOM 704 C ARG A 45 3.707 -5.712 -2.741 1.00 0.00 C ATOM 705 O ARG A 45 4.132 -4.563 -2.861 1.00 0.00 O ATOM 706 CB ARG A 45 1.829 -5.612 -4.380 1.00 0.00 C ATOM 707 CG ARG A 45 2.554 -6.473 -5.416 1.00 0.00 C ATOM 708 CD ARG A 45 2.662 -5.743 -6.757 1.00 0.00 C ATOM 709 NE ARG A 45 1.391 -5.868 -7.505 1.00 0.00 N ATOM 710 CZ ARG A 45 1.081 -5.140 -8.586 1.00 0.00 C ATOM 711 NH1 ARG A 45 1.947 -4.229 -9.052 1.00 0.00 N ATOM 712 NH2 ARG A 45 -0.095 -5.321 -9.201 1.00 0.00 N ATOM 0 H ARG A 45 1.711 -4.362 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 45 2.048 -7.086 -2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.751 -5.716 -4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.069 -4.561 -4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.551 -6.723 -5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.019 -7.413 -5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.893 -4.691 -6.590 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.481 -6.160 -7.343 1.00 0.00 H new ATOM 0 HE ARG A 45 0.708 -6.551 -7.177 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.842 -4.090 -8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.711 -3.675 -9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.755 -6.013 -8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.331 -4.767 -10.024 1.00 0.00 H new ATOM 726 N SER A 46 4.454 -6.759 -2.426 1.00 0.00 N ATOM 727 CA SER A 46 5.881 -6.618 -2.191 1.00 0.00 C ATOM 728 C SER A 46 6.593 -6.258 -3.496 1.00 0.00 C ATOM 729 O SER A 46 6.001 -6.333 -4.572 1.00 0.00 O ATOM 730 CB SER A 46 6.472 -7.899 -1.600 1.00 0.00 C ATOM 731 OG SER A 46 7.812 -7.713 -1.154 1.00 0.00 O ATOM 0 H SER A 46 4.098 -7.710 -2.328 1.00 0.00 H new ATOM 0 HA SER A 46 6.030 -5.815 -1.469 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.855 -8.231 -0.765 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.446 -8.690 -2.350 1.00 0.00 H new ATOM 0 HG SER A 46 8.153 -8.553 -0.782 1.00 0.00 H new ATOM 737 N ARG A 47 7.854 -5.874 -3.359 1.00 0.00 N ATOM 738 CA ARG A 47 8.653 -5.502 -4.515 1.00 0.00 C ATOM 739 C ARG A 47 9.000 -6.742 -5.341 1.00 0.00 C ATOM 740 O ARG A 47 9.541 -6.629 -6.440 1.00 0.00 O ATOM 741 CB ARG A 47 9.946 -4.804 -4.088 1.00 0.00 C ATOM 742 CG ARG A 47 10.849 -5.756 -3.301 1.00 0.00 C ATOM 743 CD ARG A 47 10.847 -5.406 -1.811 1.00 0.00 C ATOM 744 NE ARG A 47 12.232 -5.178 -1.343 1.00 0.00 N ATOM 745 CZ ARG A 47 13.096 -6.159 -1.046 1.00 0.00 C ATOM 746 NH1 ARG A 47 12.722 -7.440 -1.167 1.00 0.00 N ATOM 747 NH2 ARG A 47 14.333 -5.858 -0.629 1.00 0.00 N ATOM 0 H ARG A 47 8.342 -5.812 -2.465 1.00 0.00 H new ATOM 0 HA ARG A 47 8.063 -4.812 -5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.475 -4.440 -4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.709 -3.933 -3.477 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.509 -6.782 -3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.866 -5.703 -3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.245 -4.514 -1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.390 -6.214 -1.240 1.00 0.00 H new ATOM 0 HE ARG A 47 12.549 -4.214 -1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.780 -7.668 -1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.379 -8.187 -0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.617 -4.883 -0.538 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.991 -6.604 -0.403 1.00 0.00 H new ATOM 761 N SER A 48 8.673 -7.898 -4.782 1.00 0.00 N ATOM 762 CA SER A 48 8.943 -9.158 -5.454 1.00 0.00 C ATOM 763 C SER A 48 7.805 -9.490 -6.421 1.00 0.00 C ATOM 764 O SER A 48 7.765 -10.581 -6.987 1.00 0.00 O ATOM 765 CB SER A 48 9.129 -10.292 -4.444 1.00 0.00 C ATOM 766 OG SER A 48 8.245 -10.168 -3.333 1.00 0.00 O ATOM 0 H SER A 48 8.223 -7.989 -3.871 1.00 0.00 H new ATOM 0 HA SER A 48 9.870 -9.053 -6.017 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.959 -11.249 -4.938 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.159 -10.296 -4.089 1.00 0.00 H new ATOM 0 HG SER A 48 8.394 -10.911 -2.712 1.00 0.00 H new ATOM 772 N GLY A 49 6.907 -8.528 -6.580 1.00 0.00 N ATOM 773 CA GLY A 49 5.771 -8.705 -7.469 1.00 0.00 C ATOM 774 C GLY A 49 4.687 -9.560 -6.810 1.00 0.00 C ATOM 775 O GLY A 49 3.698 -9.915 -7.449 1.00 0.00 O ATOM 0 H GLY A 49 6.943 -7.624 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.359 -7.732 -7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.099 -9.178 -8.395 1.00 0.00 H new ATOM 779 N GLN A 50 4.910 -9.865 -5.540 1.00 0.00 N ATOM 780 CA GLN A 50 3.964 -10.672 -4.788 1.00 0.00 C ATOM 781 C GLN A 50 2.835 -9.795 -4.242 1.00 0.00 C ATOM 782 O GLN A 50 3.028 -8.604 -4.006 1.00 0.00 O ATOM 783 CB GLN A 50 4.666 -11.428 -3.658 1.00 0.00 C ATOM 784 CG GLN A 50 4.782 -12.918 -3.984 1.00 0.00 C ATOM 785 CD GLN A 50 6.132 -13.476 -3.530 1.00 0.00 C ATOM 786 OE1 GLN A 50 7.117 -13.451 -4.249 1.00 0.00 O ATOM 787 NE2 GLN A 50 6.123 -13.979 -2.299 1.00 0.00 N ATOM 0 H GLN A 50 5.731 -9.568 -5.013 1.00 0.00 H new ATOM 0 HA GLN A 50 3.530 -11.411 -5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.659 -11.009 -3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.111 -11.298 -2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.976 -13.465 -3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.664 -13.069 -5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.263 -13.969 -1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.976 -14.375 -1.904 1.00 0.00 H new ATOM 796 N ALA A 51 1.681 -10.420 -4.058 1.00 0.00 N ATOM 797 CA ALA A 51 0.521 -9.711 -3.545 1.00 0.00 C ATOM 798 C ALA A 51 -0.308 -10.661 -2.677 1.00 0.00 C ATOM 799 O ALA A 51 -0.630 -11.771 -3.098 1.00 0.00 O ATOM 800 CB ALA A 51 -0.284 -9.136 -4.712 1.00 0.00 C ATOM 0 H ALA A 51 1.525 -11.409 -4.255 1.00 0.00 H new ATOM 0 HA ALA A 51 0.829 -8.874 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.154 -8.604 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.341 -8.447 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.613 -9.947 -5.362 1.00 0.00 H new ATOM 806 N GLY A 52 -0.631 -10.189 -1.482 1.00 0.00 N ATOM 807 CA GLY A 52 -1.416 -10.982 -0.552 1.00 0.00 C ATOM 808 C GLY A 52 -2.259 -10.085 0.358 1.00 0.00 C ATOM 809 O GLY A 52 -2.142 -8.862 0.310 1.00 0.00 O ATOM 0 H GLY A 52 -0.363 -9.267 -1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.067 -11.659 -1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.753 -11.600 0.054 1.00 0.00 H new ATOM 813 N TYR A 53 -3.089 -10.729 1.165 1.00 0.00 N ATOM 814 CA TYR A 53 -3.951 -10.005 2.084 1.00 0.00 C ATOM 815 C TYR A 53 -3.475 -10.172 3.529 1.00 0.00 C ATOM 816 O TYR A 53 -2.997 -11.239 3.909 1.00 0.00 O ATOM 817 CB TYR A 53 -5.340 -10.630 1.941 1.00 0.00 C ATOM 818 CG TYR A 53 -6.119 -10.142 0.719 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.631 -8.861 0.693 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.310 -10.984 -0.358 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.365 -8.402 -0.458 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.044 -10.525 -1.509 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.535 -9.256 -1.502 1.00 0.00 C ATOM 824 OH TYR A 53 -8.228 -8.823 -2.589 1.00 0.00 O ATOM 0 H TYR A 53 -3.183 -11.744 1.202 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.947 -8.939 1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.235 -11.713 1.883 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.919 -10.413 2.839 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.481 -8.202 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.909 -11.987 -0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.771 -7.402 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.201 -11.173 -2.358 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.269 -9.539 -3.257 1.00 0.00 H new ATOM 834 N VAL A 54 -3.623 -9.101 4.295 1.00 0.00 N ATOM 835 CA VAL A 54 -3.215 -9.115 5.689 1.00 0.00 C ATOM 836 C VAL A 54 -4.162 -8.231 6.503 1.00 0.00 C ATOM 837 O VAL A 54 -4.900 -7.423 5.940 1.00 0.00 O ATOM 838 CB VAL A 54 -1.750 -8.691 5.810 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.825 -9.910 5.819 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.366 -7.720 4.691 1.00 0.00 C ATOM 0 H VAL A 54 -4.020 -8.217 3.976 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.282 -10.124 6.096 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.629 -8.172 6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.210 -9.580 5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.074 -10.550 6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.951 -10.469 4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.320 -7.434 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.511 -8.203 3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.993 -6.830 4.750 1.00 0.00 H new ATOM 850 N PRO A 55 -4.110 -8.419 7.849 1.00 0.00 N ATOM 851 CA PRO A 55 -4.954 -7.648 8.745 1.00 0.00 C ATOM 852 C PRO A 55 -4.436 -6.216 8.890 1.00 0.00 C ATOM 853 O PRO A 55 -3.227 -5.988 8.910 1.00 0.00 O ATOM 854 CB PRO A 55 -4.944 -8.419 10.055 1.00 0.00 C ATOM 855 CG PRO A 55 -3.732 -9.334 9.990 1.00 0.00 C ATOM 856 CD PRO A 55 -3.249 -9.367 8.550 1.00 0.00 C ATOM 0 HA PRO A 55 -5.972 -7.536 8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.877 -7.742 10.906 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.862 -8.994 10.177 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.943 -8.970 10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.992 -10.337 10.328 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.200 -9.078 8.477 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.334 -10.368 8.126 1.00 0.00 H new ATOM 864 N CYS A 56 -5.376 -5.287 8.987 1.00 0.00 N ATOM 865 CA CYS A 56 -5.030 -3.883 9.129 1.00 0.00 C ATOM 866 C CYS A 56 -4.659 -3.626 10.591 1.00 0.00 C ATOM 867 O CYS A 56 -4.287 -2.511 10.954 1.00 0.00 O ATOM 868 CB CYS A 56 -6.164 -2.970 8.658 1.00 0.00 C ATOM 869 SG CYS A 56 -7.643 -3.218 9.707 1.00 0.00 S ATOM 0 H CYS A 56 -6.378 -5.480 8.970 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.177 -3.649 8.492 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.846 -1.928 8.703 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.406 -3.184 7.617 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.599 -2.437 9.300 1.00 0.00 H new ATOM 875 N ASN A 57 -4.774 -4.675 11.391 1.00 0.00 N ATOM 876 CA ASN A 57 -4.456 -4.577 12.805 1.00 0.00 C ATOM 877 C ASN A 57 -2.950 -4.364 12.971 1.00 0.00 C ATOM 878 O ASN A 57 -2.517 -3.620 13.850 1.00 0.00 O ATOM 879 CB ASN A 57 -4.836 -5.860 13.546 1.00 0.00 C ATOM 880 CG ASN A 57 -5.998 -5.613 14.510 1.00 0.00 C ATOM 881 OD1 ASN A 57 -6.426 -4.492 14.733 1.00 0.00 O ATOM 882 ND2 ASN A 57 -6.484 -6.718 15.068 1.00 0.00 N ATOM 0 H ASN A 57 -5.083 -5.598 11.087 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.019 -3.741 13.220 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.113 -6.631 12.827 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.974 -6.234 14.098 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.261 -6.658 15.726 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.080 -7.626 14.838 1.00 0.00 H new ATOM 889 N ILE A 58 -2.192 -5.031 12.113 1.00 0.00 N ATOM 890 CA ILE A 58 -0.744 -4.924 12.153 1.00 0.00 C ATOM 891 C ILE A 58 -0.299 -3.745 11.284 1.00 0.00 C ATOM 892 O ILE A 58 0.777 -3.187 11.493 1.00 0.00 O ATOM 893 CB ILE A 58 -0.097 -6.254 11.761 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.342 -6.570 10.284 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.574 -7.385 12.675 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.067 -8.007 9.955 1.00 0.00 C ATOM 0 H ILE A 58 -2.554 -5.648 11.386 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.406 -4.718 13.169 1.00 0.00 H new ATOM 0 HB ILE A 58 0.981 -6.162 11.896 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.396 -6.425 10.048 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.223 -5.876 9.662 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.100 -8.319 12.375 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.306 -7.157 13.707 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.656 -7.486 12.595 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.118 -8.205 8.899 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.127 -8.142 10.170 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.517 -8.699 10.562 1.00 0.00 H new ATOM 908 N LEU A 59 -1.150 -3.402 10.329 1.00 0.00 N ATOM 909 CA LEU A 59 -0.858 -2.300 9.428 1.00 0.00 C ATOM 910 C LEU A 59 -0.968 -0.979 10.193 1.00 0.00 C ATOM 911 O LEU A 59 -1.661 -0.899 11.205 1.00 0.00 O ATOM 912 CB LEU A 59 -1.754 -2.369 8.189 1.00 0.00 C ATOM 913 CG LEU A 59 -1.650 -3.649 7.358 1.00 0.00 C ATOM 914 CD1 LEU A 59 -2.733 -3.690 6.278 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.247 -3.808 6.768 1.00 0.00 C ATOM 0 H LEU A 59 -2.042 -3.867 10.159 1.00 0.00 H new ATOM 0 HA LEU A 59 0.165 -2.371 9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.790 -2.249 8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.517 -1.521 7.546 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.820 -4.499 8.018 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.637 -4.610 5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.716 -3.657 6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.618 -2.832 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.201 -4.726 6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.024 -2.956 6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.484 -3.856 7.575 1.00 0.00 H new ATOM 927 N GLY A 60 -0.273 0.025 9.678 1.00 0.00 N ATOM 928 CA GLY A 60 -0.283 1.338 10.300 1.00 0.00 C ATOM 929 C GLY A 60 -0.003 2.435 9.271 1.00 0.00 C ATOM 930 O GLY A 60 0.799 2.243 8.357 1.00 0.00 O ATOM 0 H GLY A 60 0.300 -0.045 8.837 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.250 1.514 10.770 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.467 1.376 11.090 1.00 0.00 H new