USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 518 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 37 ASN : amide:sc= 0.999 X(o=1.9,f=1.6) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0.934 USER MOD Single : A 2 THR OG1 : rot -21:sc= 0.472 USER MOD Single : A 4 LYS NZ :NH3+ -146:sc= 1.2 (180deg=0.693) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0178 X(o=-0.018,f=-0.018) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.226) USER MOD Single : A 33 ASN : amide:sc= 0.691 K(o=0.69,f=-5.2) USER MOD Single : A 44 THR OG1 : rot -113:sc= 1.34 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.204 USER MOD Single : A 48 ASN : amide:sc= -0.494 K(o=-0.49,f=-13!) USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= 0.618 (180deg=-2.37!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.042 USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= 0.769 (180deg=0.109) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.129) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 2 -8.122 10.715 8.078 1.00 10.00 N ATOM 20 CA THR A 2 -7.257 9.924 7.215 1.00 10.00 C ATOM 21 C THR A 2 -7.572 10.278 5.760 1.00 10.00 C ATOM 22 O THR A 2 -8.681 10.723 5.466 1.00 10.00 O ATOM 23 CB THR A 2 -7.505 8.440 7.527 1.00 10.00 C ATOM 24 OG1 THR A 2 -8.895 8.210 7.663 1.00 10.00 O ATOM 25 CG2 THR A 2 -6.814 8.066 8.846 1.00 10.00 C ATOM 0 HA THR A 2 -6.201 10.134 7.385 1.00 10.00 H new ATOM 0 HB THR A 2 -7.104 7.835 6.714 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.348 9.055 7.865 1.00 10.00 H new ATOM 0 HG21 THR A 2 -6.992 7.013 9.064 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.742 8.242 8.758 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.217 8.677 9.654 1.00 10.00 H new ATOM 33 N GLU A 3 -6.588 10.099 4.879 1.00 10.00 N ATOM 34 CA GLU A 3 -6.598 10.466 3.473 1.00 10.00 C ATOM 35 C GLU A 3 -6.469 9.208 2.630 1.00 10.00 C ATOM 36 O GLU A 3 -5.713 8.301 2.981 1.00 10.00 O ATOM 37 CB GLU A 3 -5.411 11.396 3.201 1.00 10.00 C ATOM 38 CG GLU A 3 -5.864 12.844 3.362 1.00 10.00 C ATOM 39 CD GLU A 3 -4.691 13.760 3.676 1.00 10.00 C ATOM 40 OE1 GLU A 3 -4.085 14.264 2.710 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.417 13.916 4.887 1.00 10.00 O ATOM 0 H GLU A 3 -5.707 9.664 5.152 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.528 10.974 3.220 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -4.596 11.178 3.892 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -5.028 11.232 2.194 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.354 13.178 2.447 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.603 12.909 4.161 1.00 10.00 H new ATOM 48 N LYS A 4 -7.206 9.171 1.520 1.00 10.00 N ATOM 49 CA LYS A 4 -7.264 8.047 0.620 1.00 10.00 C ATOM 50 C LYS A 4 -6.309 8.288 -0.539 1.00 10.00 C ATOM 51 O LYS A 4 -6.568 9.121 -1.403 1.00 10.00 O ATOM 52 CB LYS A 4 -8.700 7.898 0.134 1.00 10.00 C ATOM 53 CG LYS A 4 -8.867 6.618 -0.678 1.00 10.00 C ATOM 54 CD LYS A 4 -8.685 5.363 0.188 1.00 10.00 C ATOM 55 CE LYS A 4 -9.788 4.314 -0.011 1.00 10.00 C ATOM 56 NZ LYS A 4 -11.128 4.848 0.314 1.00 10.00 N ATOM 0 H LYS A 4 -7.792 9.952 1.224 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.963 7.126 1.120 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -9.378 7.884 0.987 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.973 8.759 -0.476 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.857 6.604 -1.134 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -8.141 6.606 -1.491 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -7.720 4.911 -0.040 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -8.659 5.656 1.237 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -9.777 3.968 -1.045 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -9.581 3.447 0.617 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -11.713 4.092 0.724 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -11.035 5.625 1.000 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -11.580 5.203 -0.553 1.00 10.00 H new ATOM 70 N ALA A 5 -5.219 7.533 -0.545 1.00 10.00 N ATOM 71 CA ALA A 5 -4.148 7.629 -1.519 1.00 10.00 C ATOM 72 C ALA A 5 -4.033 6.315 -2.298 1.00 10.00 C ATOM 73 O ALA A 5 -4.362 5.257 -1.751 1.00 10.00 O ATOM 74 CB ALA A 5 -2.856 7.990 -0.787 1.00 10.00 C ATOM 0 H ALA A 5 -5.053 6.811 0.156 1.00 10.00 H new ATOM 0 HA ALA A 5 -4.355 8.411 -2.249 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -2.040 8.066 -1.505 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.981 8.945 -0.277 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.624 7.216 -0.055 1.00 10.00 H new ATOM 80 N GLU A 6 -3.568 6.369 -3.554 1.00 10.00 N ATOM 81 CA GLU A 6 -3.359 5.194 -4.382 1.00 10.00 C ATOM 82 C GLU A 6 -1.947 5.152 -4.930 1.00 10.00 C ATOM 83 O GLU A 6 -1.338 6.198 -5.164 1.00 10.00 O ATOM 84 CB GLU A 6 -4.347 5.147 -5.545 1.00 10.00 C ATOM 85 CG GLU A 6 -5.672 4.544 -5.081 1.00 10.00 C ATOM 86 CD GLU A 6 -6.444 3.814 -6.170 1.00 10.00 C ATOM 87 OE1 GLU A 6 -6.007 3.856 -7.340 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.439 3.168 -5.773 1.00 10.00 O ATOM 0 H GLU A 6 -3.327 7.244 -4.020 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.522 4.327 -3.742 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.512 6.152 -5.934 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.934 4.553 -6.360 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.475 3.850 -4.264 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.299 5.340 -4.679 1.00 10.00 H new ATOM 95 N PHE A 7 -1.470 3.923 -5.147 1.00 10.00 N ATOM 96 CA PHE A 7 -0.091 3.593 -5.455 1.00 10.00 C ATOM 97 C PHE A 7 -0.078 2.562 -6.584 1.00 10.00 C ATOM 98 O PHE A 7 -0.928 1.667 -6.593 1.00 10.00 O ATOM 99 CB PHE A 7 0.615 3.044 -4.200 1.00 10.00 C ATOM 100 CG PHE A 7 0.331 3.757 -2.893 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.913 3.588 -2.258 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.317 4.541 -2.270 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.238 4.335 -1.123 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.014 5.225 -1.079 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.271 5.149 -0.520 1.00 10.00 C ATOM 0 H PHE A 7 -2.069 3.098 -5.109 1.00 10.00 H new ATOM 0 HA PHE A 7 0.447 4.485 -5.775 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.337 1.997 -4.084 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.690 3.070 -4.375 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.623 2.875 -2.651 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.303 4.618 -2.704 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.235 4.285 -0.711 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.777 5.814 -0.591 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.512 5.714 0.368 1.00 10.00 H new ATOM 115 N ASP A 8 0.869 2.696 -7.520 1.00 10.00 N ATOM 116 CA ASP A 8 0.919 1.899 -8.746 1.00 10.00 C ATOM 117 C ASP A 8 2.119 0.948 -8.650 1.00 10.00 C ATOM 118 O ASP A 8 3.169 1.350 -8.141 1.00 10.00 O ATOM 119 CB ASP A 8 0.971 2.831 -9.967 1.00 10.00 C ATOM 120 CG ASP A 8 0.224 2.236 -11.158 1.00 10.00 C ATOM 121 OD1 ASP A 8 0.637 1.139 -11.578 1.00 10.00 O ATOM 122 OD2 ASP A 8 -0.757 2.873 -11.617 1.00 10.00 O ATOM 0 H ASP A 8 1.631 3.370 -7.444 1.00 10.00 H new ATOM 0 HA ASP A 8 0.023 1.290 -8.868 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.535 3.796 -9.708 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.010 3.014 -10.242 1.00 10.00 H new ATOM 127 N ILE A 9 1.917 -0.332 -8.977 1.00 10.00 N ATOM 128 CA ILE A 9 2.724 -1.441 -8.481 1.00 10.00 C ATOM 129 C ILE A 9 3.557 -2.075 -9.593 1.00 10.00 C ATOM 130 O ILE A 9 3.027 -2.361 -10.663 1.00 10.00 O ATOM 131 CB ILE A 9 1.807 -2.522 -7.866 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.552 -1.979 -7.174 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.606 -3.357 -6.866 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.898 -1.017 -6.054 1.00 10.00 C ATOM 0 H ILE A 9 1.171 -0.628 -9.607 1.00 10.00 H new ATOM 0 HA ILE A 9 3.401 -1.042 -7.726 1.00 10.00 H new ATOM 0 HB ILE A 9 1.455 -3.123 -8.704 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.077 -1.473 -7.907 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.030 -2.809 -6.773 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.960 -4.120 -6.431 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.441 -3.836 -7.377 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.987 -2.711 -6.075 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -0.019 -0.655 -5.589 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.505 -1.530 -5.308 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.457 -0.173 -6.459 1.00 10.00 H new ATOM 146 N GLU A 10 4.830 -2.371 -9.310 1.00 10.00 N ATOM 147 CA GLU A 10 5.683 -3.152 -10.182 1.00 10.00 C ATOM 148 C GLU A 10 6.216 -4.359 -9.404 1.00 10.00 C ATOM 149 O GLU A 10 7.153 -4.221 -8.614 1.00 10.00 O ATOM 150 CB GLU A 10 6.829 -2.265 -10.667 1.00 10.00 C ATOM 151 CG GLU A 10 6.360 -1.193 -11.659 1.00 10.00 C ATOM 152 CD GLU A 10 7.545 -0.369 -12.146 1.00 10.00 C ATOM 153 OE1 GLU A 10 8.014 0.473 -11.348 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.982 -0.620 -13.288 1.00 10.00 O ATOM 0 H GLU A 10 5.294 -2.066 -8.454 1.00 10.00 H new ATOM 0 HA GLU A 10 5.127 -3.514 -11.047 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.299 -1.782 -9.810 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.590 -2.886 -11.140 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.863 -1.665 -12.507 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.627 -0.542 -11.182 1.00 10.00 H new ATOM 251 N ASN A 19 -2.613 -9.833 -0.671 1.00 10.00 N ATOM 252 CA ASN A 19 -3.044 -10.045 0.716 1.00 10.00 C ATOM 253 C ASN A 19 -1.924 -9.765 1.725 1.00 10.00 C ATOM 254 O ASN A 19 -2.187 -9.430 2.879 1.00 10.00 O ATOM 255 CB ASN A 19 -3.585 -11.469 0.926 1.00 10.00 C ATOM 256 CG ASN A 19 -5.090 -11.562 0.692 1.00 10.00 C ATOM 257 OD1 ASN A 19 -5.846 -11.868 1.607 1.00 10.00 O ATOM 258 ND2 ASN A 19 -5.530 -11.336 -0.540 1.00 10.00 N ATOM 0 HA ASN A 19 -3.847 -9.330 0.895 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -3.072 -12.153 0.249 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -3.357 -11.795 1.941 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -6.525 -11.415 -0.749 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.873 -11.083 -1.278 1.00 10.00 H new ATOM 265 N ARG A 20 -0.663 -9.929 1.324 1.00 10.00 N ATOM 266 CA ARG A 20 0.470 -9.701 2.199 1.00 10.00 C ATOM 267 C ARG A 20 0.681 -8.198 2.358 1.00 10.00 C ATOM 268 O ARG A 20 0.956 -7.729 3.466 1.00 10.00 O ATOM 269 CB ARG A 20 1.696 -10.430 1.638 1.00 10.00 C ATOM 270 CG ARG A 20 2.709 -10.743 2.746 1.00 10.00 C ATOM 271 CD ARG A 20 3.785 -11.709 2.236 1.00 10.00 C ATOM 272 NE ARG A 20 3.199 -13.021 1.911 1.00 10.00 N ATOM 273 CZ ARG A 20 3.868 -14.073 1.412 1.00 10.00 C ATOM 274 NH1 ARG A 20 5.182 -13.976 1.182 1.00 10.00 N ATOM 275 NH2 ARG A 20 3.220 -15.212 1.147 1.00 10.00 N ATOM 0 H ARG A 20 -0.406 -10.224 0.382 1.00 10.00 H new ATOM 0 HA ARG A 20 0.290 -10.106 3.195 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.383 -11.356 1.156 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.169 -9.816 0.872 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.175 -9.820 3.091 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.196 -11.181 3.602 1.00 10.00 H new ATOM 0 HD2 ARG A 20 4.265 -11.291 1.351 1.00 10.00 H new ATOM 0 HD3 ARG A 20 4.560 -11.829 2.993 1.00 10.00 H new ATOM 0 HE ARG A 20 2.200 -13.140 2.079 1.00 10.00 H new ATOM 0 HH11 ARG A 20 5.672 -13.105 1.386 1.00 10.00 H new ATOM 0 HH12 ARG A 20 5.694 -14.773 0.803 1.00 10.00 H new ATOM 0 HH21 ARG A 20 2.218 -15.282 1.324 1.00 10.00 H new ATOM 0 HH22 ARG A 20 3.728 -16.011 0.768 1.00 10.00 H new ATOM 289 N ILE A 21 0.513 -7.439 1.264 1.00 10.00 N ATOM 290 CA ILE A 21 0.478 -5.982 1.319 1.00 10.00 C ATOM 291 C ILE A 21 -0.420 -5.525 2.458 1.00 10.00 C ATOM 292 O ILE A 21 0.040 -4.758 3.293 1.00 10.00 O ATOM 293 CB ILE A 21 -0.004 -5.333 0.010 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.598 -5.957 -1.247 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.279 -3.827 0.050 1.00 10.00 C ATOM 296 CD1 ILE A 21 2.114 -6.070 -1.220 1.00 10.00 C ATOM 0 H ILE A 21 0.399 -7.822 0.325 1.00 10.00 H new ATOM 0 HA ILE A 21 1.506 -5.659 1.482 1.00 10.00 H new ATOM 0 HB ILE A 21 -1.077 -5.516 -0.055 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.173 -6.951 -1.385 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.304 -5.362 -2.111 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.063 -3.368 -0.878 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.249 -3.380 0.892 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.350 -3.661 0.164 1.00 10.00 H new ATOM 0 HD11 ILE A 21 2.462 -6.523 -2.148 1.00 10.00 H new ATOM 0 HD12 ILE A 21 2.551 -5.077 -1.115 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.418 -6.691 -0.377 1.00 10.00 H new ATOM 308 N GLU A 22 -1.667 -6.010 2.509 1.00 10.00 N ATOM 309 CA GLU A 22 -2.626 -5.625 3.539 1.00 10.00 C ATOM 310 C GLU A 22 -1.980 -5.630 4.926 1.00 10.00 C ATOM 311 O GLU A 22 -2.086 -4.659 5.664 1.00 10.00 O ATOM 312 CB GLU A 22 -3.826 -6.574 3.555 1.00 10.00 C ATOM 313 CG GLU A 22 -4.604 -6.658 2.238 1.00 10.00 C ATOM 314 CD GLU A 22 -5.674 -7.743 2.321 1.00 10.00 C ATOM 315 OE1 GLU A 22 -5.937 -8.207 3.457 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.176 -8.115 1.240 1.00 10.00 O ATOM 0 H GLU A 22 -2.035 -6.681 1.834 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.962 -4.616 3.299 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.477 -7.573 3.817 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.509 -6.258 4.343 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.068 -5.696 2.021 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.920 -6.875 1.417 1.00 10.00 H new ATOM 323 N LYS A 23 -1.295 -6.720 5.284 1.00 10.00 N ATOM 324 CA LYS A 23 -0.650 -6.870 6.574 1.00 10.00 C ATOM 325 C LYS A 23 0.533 -5.907 6.687 1.00 10.00 C ATOM 326 O LYS A 23 0.695 -5.224 7.698 1.00 10.00 O ATOM 327 CB LYS A 23 -0.214 -8.330 6.778 1.00 10.00 C ATOM 328 CG LYS A 23 -1.253 -9.131 7.575 1.00 10.00 C ATOM 329 CD LYS A 23 -2.485 -9.508 6.735 1.00 10.00 C ATOM 330 CE LYS A 23 -3.736 -9.569 7.621 1.00 10.00 C ATOM 331 NZ LYS A 23 -4.905 -10.121 6.902 1.00 10.00 N ATOM 0 H LYS A 23 -1.177 -7.528 4.673 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.358 -6.619 7.364 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.058 -8.801 5.808 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.742 -8.354 7.301 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.789 -10.039 7.959 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.572 -8.547 8.438 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -2.629 -8.776 5.940 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.324 -10.473 6.254 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.528 -10.182 8.498 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.973 -8.568 7.981 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -5.726 -10.143 7.540 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.121 -9.522 6.080 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.691 -11.086 6.580 1.00 10.00 H new ATOM 345 N ARG A 24 1.374 -5.849 5.653 1.00 10.00 N ATOM 346 CA ARG A 24 2.549 -4.997 5.670 1.00 10.00 C ATOM 347 C ARG A 24 2.155 -3.533 5.859 1.00 10.00 C ATOM 348 O ARG A 24 2.857 -2.792 6.535 1.00 10.00 O ATOM 349 CB ARG A 24 3.378 -5.211 4.397 1.00 10.00 C ATOM 350 CG ARG A 24 4.879 -5.367 4.682 1.00 10.00 C ATOM 351 CD ARG A 24 5.295 -6.795 5.069 1.00 10.00 C ATOM 352 NE ARG A 24 5.086 -7.092 6.496 1.00 10.00 N ATOM 353 CZ ARG A 24 5.525 -8.203 7.112 1.00 10.00 C ATOM 354 NH1 ARG A 24 6.138 -9.157 6.401 1.00 10.00 N ATOM 355 NH2 ARG A 24 5.358 -8.349 8.431 1.00 10.00 N ATOM 0 H ARG A 24 1.257 -6.386 4.794 1.00 10.00 H new ATOM 0 HA ARG A 24 3.173 -5.272 6.520 1.00 10.00 H new ATOM 0 HB2 ARG A 24 3.017 -6.100 3.879 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.227 -4.367 3.724 1.00 10.00 H new ATOM 0 HG2 ARG A 24 5.440 -5.063 3.798 1.00 10.00 H new ATOM 0 HG3 ARG A 24 5.158 -4.687 5.487 1.00 10.00 H new ATOM 0 HD2 ARG A 24 4.728 -7.507 4.469 1.00 10.00 H new ATOM 0 HD3 ARG A 24 6.347 -6.939 4.825 1.00 10.00 H new ATOM 0 HE ARG A 24 4.574 -6.409 7.054 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.270 -9.039 5.397 1.00 10.00 H new ATOM 0 HH12 ARG A 24 6.473 -10.002 6.864 1.00 10.00 H new ATOM 0 HH21 ARG A 24 4.897 -7.617 8.971 1.00 10.00 H new ATOM 0 HH22 ARG A 24 5.692 -9.193 8.897 1.00 10.00 H new ATOM 369 N LEU A 25 1.032 -3.127 5.275 1.00 10.00 N ATOM 370 CA LEU A 25 0.458 -1.802 5.411 1.00 10.00 C ATOM 371 C LEU A 25 -0.318 -1.667 6.721 1.00 10.00 C ATOM 372 O LEU A 25 -0.276 -0.617 7.351 1.00 10.00 O ATOM 373 CB LEU A 25 -0.393 -1.501 4.168 1.00 10.00 C ATOM 374 CG LEU A 25 0.279 -0.401 3.337 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.087 -0.520 1.857 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.173 0.944 3.919 1.00 10.00 C ATOM 0 H LEU A 25 0.480 -3.738 4.673 1.00 10.00 H new ATOM 0 HA LEU A 25 1.249 -1.054 5.466 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.510 -2.403 3.568 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.392 -1.185 4.467 1.00 10.00 H new ATOM 0 HG LEU A 25 1.364 -0.492 3.389 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.405 0.274 1.295 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.240 -1.488 1.478 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.167 -0.431 1.741 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.284 1.757 3.355 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.258 1.022 3.854 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.133 1.010 4.963 1.00 10.00 H new ATOM 388 N ASN A 26 -0.976 -2.730 7.182 1.00 10.00 N ATOM 389 CA ASN A 26 -1.650 -2.746 8.475 1.00 10.00 C ATOM 390 C ASN A 26 -0.642 -2.508 9.595 1.00 10.00 C ATOM 391 O ASN A 26 -1.023 -2.030 10.658 1.00 10.00 O ATOM 392 CB ASN A 26 -2.396 -4.068 8.684 1.00 10.00 C ATOM 393 CG ASN A 26 -3.077 -4.149 10.046 1.00 10.00 C ATOM 394 OD1 ASN A 26 -2.629 -4.881 10.922 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.189 -3.443 10.224 1.00 10.00 N ATOM 0 H ASN A 26 -1.056 -3.606 6.666 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.385 -1.942 8.494 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -3.144 -4.186 7.900 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.695 -4.896 8.583 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.694 -3.502 11.108 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -4.537 -2.843 9.476 1.00 10.00 H new ATOM 402 N LYS A 27 0.644 -2.813 9.358 1.00 10.00 N ATOM 403 CA LYS A 27 1.688 -2.436 10.298 1.00 10.00 C ATOM 404 C LYS A 27 1.617 -0.936 10.642 1.00 10.00 C ATOM 405 O LYS A 27 1.897 -0.557 11.775 1.00 10.00 O ATOM 406 CB LYS A 27 3.083 -2.874 9.788 1.00 10.00 C ATOM 407 CG LYS A 27 3.941 -1.707 9.261 1.00 10.00 C ATOM 408 CD LYS A 27 5.431 -1.995 9.033 1.00 10.00 C ATOM 409 CE LYS A 27 5.712 -2.465 7.605 1.00 10.00 C ATOM 410 NZ LYS A 27 7.140 -2.292 7.235 1.00 10.00 N ATOM 0 H LYS A 27 0.973 -3.313 8.532 1.00 10.00 H new ATOM 0 HA LYS A 27 1.518 -2.972 11.232 1.00 10.00 H new ATOM 0 HB2 LYS A 27 3.618 -3.370 10.598 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.956 -3.609 8.993 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.512 -1.368 8.318 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.858 -0.879 9.965 1.00 10.00 H new ATOM 0 HD2 LYS A 27 6.010 -1.095 9.239 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.765 -2.757 9.738 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.437 -3.515 7.508 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.087 -1.906 6.909 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.354 -2.869 6.397 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.325 -1.291 7.022 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.743 -2.594 8.027 1.00 10.00 H new ATOM 424 N ILE A 28 1.352 -0.084 9.642 1.00 10.00 N ATOM 425 CA ILE A 28 1.379 1.361 9.789 1.00 10.00 C ATOM 426 C ILE A 28 0.403 1.792 10.884 1.00 10.00 C ATOM 427 O ILE A 28 -0.766 1.420 10.845 1.00 10.00 O ATOM 428 CB ILE A 28 1.041 2.024 8.437 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.001 1.628 7.299 1.00 10.00 C ATOM 430 CG2 ILE A 28 0.999 3.544 8.590 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.474 1.736 7.675 1.00 10.00 C ATOM 0 H ILE A 28 1.111 -0.392 8.700 1.00 10.00 H new ATOM 0 HA ILE A 28 2.377 1.684 10.086 1.00 10.00 H new ATOM 0 HB ILE A 28 0.057 1.652 8.150 1.00 10.00 H new ATOM 0 HG12 ILE A 28 1.787 0.603 6.995 1.00 10.00 H new ATOM 0 HG13 ILE A 28 1.808 2.264 6.435 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.760 4.000 7.629 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.237 3.815 9.320 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.971 3.902 8.930 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.089 1.441 6.825 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.705 2.765 7.951 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.683 1.079 8.519 1.00 10.00 H new ATOM 443 N GLU A 29 0.865 2.597 11.845 1.00 10.00 N ATOM 444 CA GLU A 29 0.008 3.005 12.948 1.00 10.00 C ATOM 445 C GLU A 29 -1.087 3.948 12.452 1.00 10.00 C ATOM 446 O GLU A 29 -2.263 3.737 12.739 1.00 10.00 O ATOM 447 CB GLU A 29 0.836 3.614 14.087 1.00 10.00 C ATOM 448 CG GLU A 29 1.531 2.515 14.899 1.00 10.00 C ATOM 449 CD GLU A 29 2.283 3.103 16.084 1.00 10.00 C ATOM 450 OE1 GLU A 29 1.644 3.233 17.151 1.00 10.00 O ATOM 451 OE2 GLU A 29 3.476 3.420 15.895 1.00 10.00 O ATOM 0 H GLU A 29 1.813 2.971 11.878 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.487 2.124 13.357 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.581 4.296 13.677 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.190 4.202 14.739 1.00 10.00 H new ATOM 0 HG2 GLU A 29 0.791 1.797 15.254 1.00 10.00 H new ATOM 0 HG3 GLU A 29 2.224 1.969 14.259 1.00 10.00 H new ATOM 458 N GLY A 30 -0.739 4.974 11.670 1.00 10.00 N ATOM 459 CA GLY A 30 -1.705 5.974 11.254 1.00 10.00 C ATOM 460 C GLY A 30 -2.558 5.516 10.078 1.00 10.00 C ATOM 461 O GLY A 30 -2.857 6.318 9.197 1.00 10.00 O ATOM 0 H GLY A 30 0.206 5.127 11.317 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.354 6.218 12.095 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.179 6.889 10.981 1.00 10.00 H new ATOM 465 N VAL A 31 -2.941 4.242 10.039 1.00 10.00 N ATOM 466 CA VAL A 31 -3.675 3.646 8.947 1.00 10.00 C ATOM 467 C VAL A 31 -5.133 3.485 9.369 1.00 10.00 C ATOM 468 O VAL A 31 -5.418 3.260 10.544 1.00 10.00 O ATOM 469 CB VAL A 31 -2.984 2.326 8.578 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.435 1.135 9.430 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.146 2.024 7.093 1.00 10.00 C ATOM 0 H VAL A 31 -2.739 3.585 10.792 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.679 4.270 8.053 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.926 2.470 8.799 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.904 0.238 9.111 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.215 1.334 10.479 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.508 0.985 9.307 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.648 1.084 6.856 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.206 1.944 6.852 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.700 2.828 6.507 1.00 10.00 H new ATOM 481 N ALA A 32 -6.053 3.604 8.414 1.00 10.00 N ATOM 482 CA ALA A 32 -7.460 3.308 8.617 1.00 10.00 C ATOM 483 C ALA A 32 -7.760 1.972 7.953 1.00 10.00 C ATOM 484 O ALA A 32 -8.347 1.087 8.570 1.00 10.00 O ATOM 485 CB ALA A 32 -8.325 4.424 8.031 1.00 10.00 C ATOM 0 H ALA A 32 -5.834 3.913 7.467 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.688 3.246 9.681 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.378 4.190 8.190 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.085 5.367 8.523 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.130 4.512 6.962 1.00 10.00 H new ATOM 491 N ASN A 33 -7.355 1.824 6.689 1.00 10.00 N ATOM 492 CA ASN A 33 -7.604 0.620 5.916 1.00 10.00 C ATOM 493 C ASN A 33 -6.694 0.611 4.691 1.00 10.00 C ATOM 494 O ASN A 33 -6.153 1.648 4.306 1.00 10.00 O ATOM 495 CB ASN A 33 -9.094 0.542 5.546 1.00 10.00 C ATOM 496 CG ASN A 33 -9.557 1.697 4.696 1.00 10.00 C ATOM 497 OD1 ASN A 33 -9.082 1.913 3.586 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.534 2.408 5.214 1.00 10.00 N ATOM 0 H ASN A 33 -6.844 2.543 6.177 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.372 -0.268 6.504 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.281 -0.390 5.013 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.687 0.511 6.460 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -10.935 3.184 4.687 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.891 2.184 6.143 1.00 10.00 H new ATOM 505 N ALA A 34 -6.508 -0.576 4.110 1.00 10.00 N ATOM 506 CA ALA A 34 -5.704 -0.795 2.914 1.00 10.00 C ATOM 507 C ALA A 34 -6.343 -1.849 1.995 1.00 10.00 C ATOM 508 O ALA A 34 -5.775 -2.924 1.812 1.00 10.00 O ATOM 509 CB ALA A 34 -4.278 -1.183 3.328 1.00 10.00 C ATOM 0 H ALA A 34 -6.926 -1.433 4.472 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.659 0.129 2.337 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.673 -1.348 2.437 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.840 -0.380 3.921 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.307 -2.097 3.921 1.00 10.00 H new ATOM 515 N PRO A 35 -7.523 -1.576 1.417 1.00 10.00 N ATOM 516 CA PRO A 35 -8.200 -2.496 0.515 1.00 10.00 C ATOM 517 C PRO A 35 -7.504 -2.488 -0.852 1.00 10.00 C ATOM 518 O PRO A 35 -7.991 -1.887 -1.807 1.00 10.00 O ATOM 519 CB PRO A 35 -9.645 -1.990 0.457 1.00 10.00 C ATOM 520 CG PRO A 35 -9.486 -0.479 0.637 1.00 10.00 C ATOM 521 CD PRO A 35 -8.327 -0.384 1.628 1.00 10.00 C ATOM 0 HA PRO A 35 -8.174 -3.534 0.847 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -10.121 -2.236 -0.492 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.258 -2.428 1.244 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.257 0.020 -0.305 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.393 -0.019 1.029 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.740 0.518 1.457 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.693 -0.336 2.654 1.00 10.00 H new ATOM 529 N VAL A 36 -6.343 -3.137 -0.936 1.00 10.00 N ATOM 530 CA VAL A 36 -5.541 -3.201 -2.149 1.00 10.00 C ATOM 531 C VAL A 36 -6.242 -4.001 -3.254 1.00 10.00 C ATOM 532 O VAL A 36 -7.061 -4.874 -2.966 1.00 10.00 O ATOM 533 CB VAL A 36 -4.154 -3.781 -1.832 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.544 -3.139 -0.578 1.00 10.00 C ATOM 535 CG2 VAL A 36 -4.176 -5.301 -1.642 1.00 10.00 C ATOM 0 H VAL A 36 -5.931 -3.639 -0.150 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.416 -2.187 -2.528 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.539 -3.548 -2.701 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.564 -3.575 -0.386 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.440 -2.065 -0.733 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -4.195 -3.320 0.277 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -3.169 -5.655 -1.420 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.840 -5.555 -0.815 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.535 -5.777 -2.555 1.00 10.00 H new ATOM 545 N ASN A 37 -5.886 -3.748 -4.518 1.00 10.00 N ATOM 546 CA ASN A 37 -6.539 -4.401 -5.649 1.00 10.00 C ATOM 547 C ASN A 37 -5.748 -5.624 -6.117 1.00 10.00 C ATOM 548 O ASN A 37 -4.641 -5.503 -6.641 1.00 10.00 O ATOM 549 CB ASN A 37 -6.736 -3.421 -6.804 1.00 10.00 C ATOM 550 CG ASN A 37 -7.571 -2.204 -6.416 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.559 -2.329 -5.701 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.198 -1.026 -6.899 1.00 10.00 N ATOM 0 H ASN A 37 -5.148 -3.094 -4.780 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.518 -4.740 -5.312 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.762 -3.088 -7.161 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.220 -3.937 -7.633 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.739 -0.190 -6.678 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.370 -0.956 -7.491 1.00 10.00 H new ATOM 559 N PHE A 38 -6.341 -6.812 -5.982 1.00 10.00 N ATOM 560 CA PHE A 38 -5.700 -8.107 -6.202 1.00 10.00 C ATOM 561 C PHE A 38 -5.936 -8.644 -7.619 1.00 10.00 C ATOM 562 O PHE A 38 -6.186 -9.833 -7.806 1.00 10.00 O ATOM 563 CB PHE A 38 -6.185 -9.080 -5.117 1.00 10.00 C ATOM 564 CG PHE A 38 -7.669 -9.031 -4.807 1.00 10.00 C ATOM 565 CD1 PHE A 38 -8.575 -9.827 -5.532 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.143 -8.180 -3.789 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.947 -9.783 -5.230 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.517 -8.122 -3.503 1.00 10.00 C ATOM 569 CZ PHE A 38 -10.418 -8.931 -4.216 1.00 10.00 C ATOM 0 H PHE A 38 -7.319 -6.900 -5.706 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.619 -7.991 -6.122 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.930 -10.094 -5.424 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.634 -8.876 -4.199 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -8.216 -10.472 -6.321 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.449 -7.572 -3.228 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -10.640 -10.404 -5.778 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.881 -7.456 -2.735 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.472 -8.898 -3.985 1.00 10.00 H new ATOM 579 N ALA A 39 -5.818 -7.767 -8.616 1.00 10.00 N ATOM 580 CA ALA A 39 -5.929 -8.097 -10.037 1.00 10.00 C ATOM 581 C ALA A 39 -5.555 -6.877 -10.876 1.00 10.00 C ATOM 582 O ALA A 39 -4.906 -6.992 -11.909 1.00 10.00 O ATOM 583 CB ALA A 39 -7.355 -8.540 -10.385 1.00 10.00 C ATOM 0 H ALA A 39 -5.637 -6.777 -8.452 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.248 -8.919 -10.255 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.413 -8.780 -11.447 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.615 -9.421 -9.799 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.052 -7.734 -10.157 1.00 10.00 H new ATOM 589 N LEU A 40 -5.992 -5.701 -10.419 1.00 10.00 N ATOM 590 CA LEU A 40 -5.830 -4.439 -11.124 1.00 10.00 C ATOM 591 C LEU A 40 -4.419 -3.866 -10.959 1.00 10.00 C ATOM 592 O LEU A 40 -4.079 -2.888 -11.617 1.00 10.00 O ATOM 593 CB LEU A 40 -6.846 -3.426 -10.587 1.00 10.00 C ATOM 594 CG LEU A 40 -8.259 -3.980 -10.345 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.141 -2.802 -9.945 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.817 -4.717 -11.564 1.00 10.00 C ATOM 0 H LEU A 40 -6.479 -5.604 -9.528 1.00 10.00 H new ATOM 0 HA LEU A 40 -5.995 -4.628 -12.185 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.468 -3.019 -9.650 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -6.914 -2.596 -11.291 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.232 -4.727 -9.551 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.157 -3.153 -9.763 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.747 -2.345 -9.037 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.150 -2.065 -10.748 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.817 -5.088 -11.339 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.866 -4.033 -12.412 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.166 -5.556 -11.811 1.00 10.00 H new ATOM 608 N GLU A 41 -3.644 -4.429 -10.030 1.00 10.00 N ATOM 609 CA GLU A 41 -2.253 -4.071 -9.774 1.00 10.00 C ATOM 610 C GLU A 41 -2.166 -2.602 -9.371 1.00 10.00 C ATOM 611 O GLU A 41 -1.383 -1.820 -9.903 1.00 10.00 O ATOM 612 CB GLU A 41 -1.355 -4.437 -10.966 1.00 10.00 C ATOM 613 CG GLU A 41 -1.367 -5.956 -11.204 1.00 10.00 C ATOM 614 CD GLU A 41 -0.474 -6.386 -12.364 1.00 10.00 C ATOM 615 OE1 GLU A 41 -0.140 -5.518 -13.198 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.155 -7.595 -12.396 1.00 10.00 O ATOM 0 H GLU A 41 -3.981 -5.171 -9.417 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.873 -4.655 -8.936 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.701 -3.920 -11.861 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.335 -4.101 -10.777 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.042 -6.463 -10.295 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.389 -6.279 -11.401 1.00 10.00 H new ATOM 623 N THR A 42 -2.995 -2.247 -8.389 1.00 10.00 N ATOM 624 CA THR A 42 -3.052 -0.942 -7.757 1.00 10.00 C ATOM 625 C THR A 42 -3.283 -1.191 -6.265 1.00 10.00 C ATOM 626 O THR A 42 -4.110 -2.021 -5.891 1.00 10.00 O ATOM 627 CB THR A 42 -4.169 -0.094 -8.392 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.203 -0.929 -8.882 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.636 0.733 -9.565 1.00 10.00 C ATOM 0 H THR A 42 -3.676 -2.899 -7.998 1.00 10.00 H new ATOM 0 HA THR A 42 -2.129 -0.379 -7.897 1.00 10.00 H new ATOM 0 HB THR A 42 -4.550 0.571 -7.617 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.907 -0.377 -9.282 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.447 1.322 -9.994 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.850 1.401 -9.212 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.230 0.066 -10.326 1.00 10.00 H new ATOM 637 N VAL A 43 -2.522 -0.516 -5.410 1.00 10.00 N ATOM 638 CA VAL A 43 -2.735 -0.542 -3.973 1.00 10.00 C ATOM 639 C VAL A 43 -3.440 0.759 -3.616 1.00 10.00 C ATOM 640 O VAL A 43 -3.131 1.805 -4.187 1.00 10.00 O ATOM 641 CB VAL A 43 -1.386 -0.711 -3.263 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.391 -0.319 -1.781 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.855 -2.141 -3.415 1.00 10.00 C ATOM 0 H VAL A 43 -1.736 0.067 -5.699 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.354 -1.380 -3.652 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.721 -0.008 -3.765 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.397 -0.471 -1.361 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.670 0.730 -1.683 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.110 -0.937 -1.244 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.102 -2.230 -2.901 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.567 -2.842 -2.979 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.722 -2.369 -4.473 1.00 10.00 H new ATOM 653 N THR A 44 -4.373 0.680 -2.670 1.00 10.00 N ATOM 654 CA THR A 44 -5.202 1.773 -2.222 1.00 10.00 C ATOM 655 C THR A 44 -5.117 1.783 -0.700 1.00 10.00 C ATOM 656 O THR A 44 -5.379 0.748 -0.084 1.00 10.00 O ATOM 657 CB THR A 44 -6.634 1.502 -2.709 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.650 1.251 -4.103 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.554 2.658 -2.338 1.00 10.00 C ATOM 0 H THR A 44 -4.573 -0.191 -2.179 1.00 10.00 H new ATOM 0 HA THR A 44 -4.887 2.742 -2.610 1.00 10.00 H new ATOM 0 HB THR A 44 -7.007 0.608 -2.209 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.124 1.977 -4.561 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.563 2.447 -2.691 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.567 2.780 -1.255 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.191 3.575 -2.802 1.00 10.00 H new ATOM 667 N VAL A 45 -4.719 2.910 -0.099 1.00 10.00 N ATOM 668 CA VAL A 45 -4.584 3.032 1.346 1.00 10.00 C ATOM 669 C VAL A 45 -5.340 4.262 1.814 1.00 10.00 C ATOM 670 O VAL A 45 -5.246 5.319 1.194 1.00 10.00 O ATOM 671 CB VAL A 45 -3.109 3.123 1.759 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.976 3.094 3.286 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.311 1.958 1.177 1.00 10.00 C ATOM 0 H VAL A 45 -4.482 3.762 -0.608 1.00 10.00 H new ATOM 0 HA VAL A 45 -5.003 2.142 1.815 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.715 4.063 1.372 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.923 3.159 3.561 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.516 3.938 3.714 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.394 2.163 3.670 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.268 2.043 1.482 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.721 1.017 1.543 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.373 1.982 0.089 1.00 10.00 H new ATOM 683 N GLU A 46 -6.056 4.117 2.925 1.00 10.00 N ATOM 684 CA GLU A 46 -6.642 5.206 3.672 1.00 10.00 C ATOM 685 C GLU A 46 -5.774 5.363 4.924 1.00 10.00 C ATOM 686 O GLU A 46 -5.813 4.495 5.798 1.00 10.00 O ATOM 687 CB GLU A 46 -8.112 4.858 3.940 1.00 10.00 C ATOM 688 CG GLU A 46 -9.048 6.067 4.095 1.00 10.00 C ATOM 689 CD GLU A 46 -10.440 5.709 3.588 1.00 10.00 C ATOM 690 OE1 GLU A 46 -11.063 4.809 4.186 1.00 10.00 O ATOM 691 OE2 GLU A 46 -10.827 6.255 2.531 1.00 10.00 O ATOM 0 H GLU A 46 -6.246 3.204 3.337 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.658 6.165 3.153 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.478 4.237 3.122 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.168 4.256 4.847 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -9.098 6.368 5.141 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.655 6.917 3.537 1.00 10.00 H new ATOM 698 N TYR A 47 -4.936 6.408 4.978 1.00 10.00 N ATOM 699 CA TYR A 47 -4.004 6.643 6.080 1.00 10.00 C ATOM 700 C TYR A 47 -3.838 8.135 6.330 1.00 10.00 C ATOM 701 O TYR A 47 -4.124 8.950 5.460 1.00 10.00 O ATOM 702 CB TYR A 47 -2.631 6.001 5.819 1.00 10.00 C ATOM 703 CG TYR A 47 -1.705 6.783 4.900 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.916 6.823 3.507 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.704 7.594 5.470 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.175 7.712 2.709 1.00 10.00 C ATOM 707 CE2 TYR A 47 -0.019 8.531 4.683 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.262 8.598 3.305 1.00 10.00 C ATOM 709 OH TYR A 47 0.406 9.512 2.549 1.00 10.00 O ATOM 0 H TYR A 47 -4.889 7.119 4.248 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.430 6.173 6.967 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.129 5.858 6.776 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.788 5.011 5.391 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.647 6.171 3.053 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.463 7.494 6.518 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.308 7.714 1.637 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.695 9.200 5.139 1.00 10.00 H new ATOM 0 HH TYR A 47 0.996 10.043 3.124 1.00 10.00 H new ATOM 719 N ASN A 48 -3.369 8.486 7.524 1.00 10.00 N ATOM 720 CA ASN A 48 -3.115 9.865 7.924 1.00 10.00 C ATOM 721 C ASN A 48 -1.643 10.230 7.714 1.00 10.00 C ATOM 722 O ASN A 48 -0.765 9.466 8.114 1.00 10.00 O ATOM 723 CB ASN A 48 -3.562 10.111 9.375 1.00 10.00 C ATOM 724 CG ASN A 48 -2.664 9.507 10.461 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.507 9.879 10.627 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.204 8.610 11.276 1.00 10.00 N ATOM 0 H ASN A 48 -3.151 7.807 8.253 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.709 10.520 7.287 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.625 11.187 9.539 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.568 9.711 9.498 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -2.656 8.226 12.046 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.167 8.305 11.133 1.00 10.00 H new ATOM 733 N PRO A 49 -1.331 11.401 7.137 1.00 10.00 N ATOM 734 CA PRO A 49 0.031 11.903 7.089 1.00 10.00 C ATOM 735 C PRO A 49 0.389 12.553 8.434 1.00 10.00 C ATOM 736 O PRO A 49 0.762 13.724 8.473 1.00 10.00 O ATOM 737 CB PRO A 49 0.028 12.895 5.920 1.00 10.00 C ATOM 738 CG PRO A 49 -1.379 13.488 5.987 1.00 10.00 C ATOM 739 CD PRO A 49 -2.237 12.305 6.442 1.00 10.00 C ATOM 0 HA PRO A 49 0.784 11.131 6.933 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.796 13.660 6.036 1.00 10.00 H new ATOM 0 HB3 PRO A 49 0.214 12.399 4.967 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.433 14.318 6.691 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -1.701 13.870 5.018 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.041 12.635 7.100 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.705 11.811 5.590 1.00 10.00 H new ATOM 747 N LYS A 50 0.266 11.809 9.542 1.00 10.00 N ATOM 748 CA LYS A 50 0.661 12.273 10.875 1.00 10.00 C ATOM 749 C LYS A 50 1.652 11.268 11.462 1.00 10.00 C ATOM 750 O LYS A 50 2.725 11.647 11.922 1.00 10.00 O ATOM 751 CB LYS A 50 -0.580 12.565 11.759 1.00 10.00 C ATOM 752 CG LYS A 50 -0.765 11.690 13.016 1.00 10.00 C ATOM 753 CD LYS A 50 -2.142 11.914 13.667 1.00 10.00 C ATOM 754 CE LYS A 50 -2.576 10.683 14.479 1.00 10.00 C ATOM 755 NZ LYS A 50 -1.640 10.360 15.572 1.00 10.00 N ATOM 0 H LYS A 50 -0.113 10.862 9.536 1.00 10.00 H new ATOM 0 HA LYS A 50 1.175 13.233 10.821 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.533 13.607 12.075 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.470 12.460 11.139 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -0.656 10.639 12.747 1.00 10.00 H new ATOM 0 HG3 LYS A 50 0.020 11.918 13.737 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -2.102 12.788 14.318 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -2.883 12.125 12.896 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -3.567 10.860 14.896 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -2.659 9.825 13.812 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -1.665 9.337 15.759 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -0.676 10.638 15.297 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -1.918 10.876 16.431 1.00 10.00 H new ATOM 769 N GLU A 51 1.285 9.985 11.417 1.00 10.00 N ATOM 770 CA GLU A 51 2.060 8.907 12.009 1.00 10.00 C ATOM 771 C GLU A 51 3.099 8.387 11.012 1.00 10.00 C ATOM 772 O GLU A 51 4.232 8.092 11.384 1.00 10.00 O ATOM 773 CB GLU A 51 1.094 7.786 12.433 1.00 10.00 C ATOM 774 CG GLU A 51 1.191 7.450 13.924 1.00 10.00 C ATOM 775 CD GLU A 51 0.349 8.406 14.746 1.00 10.00 C ATOM 776 OE1 GLU A 51 0.720 9.595 14.867 1.00 10.00 O ATOM 777 OE2 GLU A 51 -0.759 8.010 15.171 1.00 10.00 O ATOM 0 H GLU A 51 0.429 9.668 10.961 1.00 10.00 H new ATOM 0 HA GLU A 51 2.599 9.272 12.884 1.00 10.00 H new ATOM 0 HB2 GLU A 51 0.072 8.085 12.199 1.00 10.00 H new ATOM 0 HB3 GLU A 51 1.306 6.890 11.849 1.00 10.00 H new ATOM 0 HG2 GLU A 51 0.857 6.426 14.093 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.231 7.504 14.247 1.00 10.00 H new ATOM 784 N ALA A 52 2.689 8.233 9.750 1.00 10.00 N ATOM 785 CA ALA A 52 3.462 7.588 8.696 1.00 10.00 C ATOM 786 C ALA A 52 3.331 8.397 7.405 1.00 10.00 C ATOM 787 O ALA A 52 2.707 9.458 7.400 1.00 10.00 O ATOM 788 CB ALA A 52 2.941 6.166 8.525 1.00 10.00 C ATOM 0 H ALA A 52 1.780 8.566 9.428 1.00 10.00 H new ATOM 0 HA ALA A 52 4.520 7.545 8.954 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.506 5.663 7.740 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.057 5.621 9.462 1.00 10.00 H new ATOM 0 HB3 ALA A 52 1.886 6.195 8.251 1.00 10.00 H new ATOM 794 N SER A 53 3.913 7.912 6.305 1.00 10.00 N ATOM 795 CA SER A 53 3.837 8.581 5.015 1.00 10.00 C ATOM 796 C SER A 53 3.940 7.563 3.881 1.00 10.00 C ATOM 797 O SER A 53 4.270 6.397 4.106 1.00 10.00 O ATOM 798 CB SER A 53 4.947 9.634 4.926 1.00 10.00 C ATOM 799 OG SER A 53 6.210 9.015 5.081 1.00 10.00 O ATOM 0 H SER A 53 4.449 7.044 6.289 1.00 10.00 H new ATOM 0 HA SER A 53 2.874 9.082 4.917 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.899 10.146 3.965 1.00 10.00 H new ATOM 0 HB3 SER A 53 4.806 10.391 5.698 1.00 10.00 H new ATOM 0 HG SER A 53 6.916 9.692 5.022 1.00 10.00 H new ATOM 805 N VAL A 54 3.714 8.035 2.652 1.00 10.00 N ATOM 806 CA VAL A 54 3.976 7.297 1.423 1.00 10.00 C ATOM 807 C VAL A 54 5.321 6.575 1.506 1.00 10.00 C ATOM 808 O VAL A 54 5.403 5.389 1.207 1.00 10.00 O ATOM 809 CB VAL A 54 3.919 8.261 0.224 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.304 7.566 -1.091 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.516 8.873 0.112 1.00 10.00 C ATOM 0 H VAL A 54 3.333 8.966 2.485 1.00 10.00 H new ATOM 0 HA VAL A 54 3.210 6.534 1.286 1.00 10.00 H new ATOM 0 HB VAL A 54 4.648 9.052 0.399 1.00 10.00 H new ATOM 0 HG11 VAL A 54 4.250 8.283 -1.911 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.320 7.178 -1.014 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.615 6.743 -1.283 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.483 9.554 -0.738 1.00 10.00 H new ATOM 0 HG22 VAL A 54 1.783 8.079 -0.030 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.284 9.421 1.025 1.00 10.00 H new ATOM 821 N SER A 55 6.371 7.283 1.923 1.00 10.00 N ATOM 822 CA SER A 55 7.712 6.750 2.087 1.00 10.00 C ATOM 823 C SER A 55 7.741 5.466 2.926 1.00 10.00 C ATOM 824 O SER A 55 8.458 4.521 2.580 1.00 10.00 O ATOM 825 CB SER A 55 8.570 7.846 2.722 1.00 10.00 C ATOM 826 OG SER A 55 8.374 9.045 1.992 1.00 10.00 O ATOM 0 H SER A 55 6.303 8.272 2.162 1.00 10.00 H new ATOM 0 HA SER A 55 8.107 6.467 1.111 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.292 7.988 3.766 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.622 7.561 2.708 1.00 10.00 H new ATOM 0 HG SER A 55 8.916 9.760 2.386 1.00 10.00 H new ATOM 832 N ASP A 56 6.978 5.446 4.022 1.00 10.00 N ATOM 833 CA ASP A 56 6.942 4.343 4.972 1.00 10.00 C ATOM 834 C ASP A 56 6.251 3.143 4.327 1.00 10.00 C ATOM 835 O ASP A 56 6.827 2.072 4.168 1.00 10.00 O ATOM 836 CB ASP A 56 6.209 4.813 6.237 1.00 10.00 C ATOM 837 CG ASP A 56 6.196 3.781 7.357 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.563 2.616 7.099 1.00 10.00 O ATOM 839 OD2 ASP A 56 5.783 4.190 8.462 1.00 10.00 O ATOM 0 H ASP A 56 6.357 6.215 4.274 1.00 10.00 H new ATOM 0 HA ASP A 56 7.949 4.034 5.251 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.681 5.726 6.601 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.181 5.067 5.977 1.00 10.00 H new ATOM 844 N LEU A 57 5.015 3.327 3.867 1.00 10.00 N ATOM 845 CA LEU A 57 4.287 2.206 3.289 1.00 10.00 C ATOM 846 C LEU A 57 4.987 1.697 2.017 1.00 10.00 C ATOM 847 O LEU A 57 5.144 0.490 1.830 1.00 10.00 O ATOM 848 CB LEU A 57 2.797 2.528 3.157 1.00 10.00 C ATOM 849 CG LEU A 57 2.493 3.644 2.155 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.285 3.037 0.765 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.280 4.483 2.580 1.00 10.00 C ATOM 0 H LEU A 57 4.511 4.214 3.882 1.00 10.00 H new ATOM 0 HA LEU A 57 4.312 1.353 3.967 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.265 1.626 2.854 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.409 2.814 4.134 1.00 10.00 H new ATOM 0 HG LEU A 57 3.346 4.323 2.127 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.068 3.831 0.050 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.189 2.510 0.459 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.450 2.338 0.795 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.100 5.263 1.840 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.401 3.842 2.652 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.476 4.941 3.550 1.00 10.00 H new ATOM 863 N LYS A 58 5.494 2.605 1.174 1.00 10.00 N ATOM 864 CA LYS A 58 6.499 2.274 0.179 1.00 10.00 C ATOM 865 C LYS A 58 7.601 1.377 0.741 1.00 10.00 C ATOM 866 O LYS A 58 7.881 0.359 0.128 1.00 10.00 O ATOM 867 CB LYS A 58 7.064 3.555 -0.442 1.00 10.00 C ATOM 868 CG LYS A 58 8.066 3.286 -1.568 1.00 10.00 C ATOM 869 CD LYS A 58 9.459 3.887 -1.308 1.00 10.00 C ATOM 870 CE LYS A 58 10.362 3.062 -0.372 1.00 10.00 C ATOM 871 NZ LYS A 58 10.406 3.577 1.014 1.00 10.00 N ATOM 0 H LYS A 58 5.214 3.586 1.169 1.00 10.00 H new ATOM 0 HA LYS A 58 6.015 1.694 -0.607 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.242 4.156 -0.831 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.550 4.145 0.335 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.164 2.209 -1.707 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.672 3.693 -2.499 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.969 4.010 -2.264 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.334 4.883 -0.883 1.00 10.00 H new ATOM 0 HE2 LYS A 58 10.009 2.031 -0.356 1.00 10.00 H new ATOM 0 HE3 LYS A 58 11.374 3.047 -0.777 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.812 2.853 1.641 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 10.995 4.434 1.047 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.442 3.807 1.330 1.00 10.00 H new ATOM 885 N GLU A 59 8.254 1.732 1.857 1.00 10.00 N ATOM 886 CA GLU A 59 9.288 0.903 2.457 1.00 10.00 C ATOM 887 C GLU A 59 8.767 -0.508 2.704 1.00 10.00 C ATOM 888 O GLU A 59 9.422 -1.486 2.355 1.00 10.00 O ATOM 889 CB GLU A 59 9.757 1.551 3.765 1.00 10.00 C ATOM 890 CG GLU A 59 11.087 0.964 4.238 1.00 10.00 C ATOM 891 CD GLU A 59 10.949 0.000 5.426 1.00 10.00 C ATOM 892 OE1 GLU A 59 9.947 -0.755 5.472 1.00 10.00 O ATOM 893 OE2 GLU A 59 11.864 0.024 6.275 1.00 10.00 O ATOM 0 H GLU A 59 8.075 2.600 2.361 1.00 10.00 H new ATOM 0 HA GLU A 59 10.134 0.827 1.774 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.864 2.626 3.621 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.000 1.406 4.536 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.558 0.438 3.407 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.754 1.779 4.518 1.00 10.00 H new ATOM 900 N ALA A 60 7.559 -0.601 3.255 1.00 10.00 N ATOM 901 CA ALA A 60 6.935 -1.885 3.537 1.00 10.00 C ATOM 902 C ALA A 60 6.909 -2.755 2.276 1.00 10.00 C ATOM 903 O ALA A 60 7.380 -3.896 2.278 1.00 10.00 O ATOM 904 CB ALA A 60 5.536 -1.668 4.121 1.00 10.00 C ATOM 0 H ALA A 60 6.992 0.206 3.516 1.00 10.00 H new ATOM 0 HA ALA A 60 7.523 -2.420 4.282 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.075 -2.633 4.330 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.612 -1.095 5.045 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.923 -1.121 3.404 1.00 10.00 H new ATOM 910 N VAL A 61 6.364 -2.202 1.193 1.00 10.00 N ATOM 911 CA VAL A 61 6.293 -2.891 -0.090 1.00 10.00 C ATOM 912 C VAL A 61 7.689 -3.156 -0.680 1.00 10.00 C ATOM 913 O VAL A 61 7.960 -4.243 -1.189 1.00 10.00 O ATOM 914 CB VAL A 61 5.358 -2.120 -1.032 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.266 -2.835 -2.383 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.950 -2.053 -0.421 1.00 10.00 C ATOM 0 H VAL A 61 5.961 -1.265 1.183 1.00 10.00 H new ATOM 0 HA VAL A 61 5.864 -3.883 0.055 1.00 10.00 H new ATOM 0 HB VAL A 61 5.757 -1.115 -1.172 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.600 -2.280 -3.044 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.257 -2.893 -2.832 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.875 -3.842 -2.236 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.288 -1.505 -1.092 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.567 -3.063 -0.278 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.995 -1.543 0.541 1.00 10.00 H new ATOM 926 N ASP A 62 8.594 -2.184 -0.576 1.00 10.00 N ATOM 927 CA ASP A 62 9.951 -2.288 -1.092 1.00 10.00 C ATOM 928 C ASP A 62 10.639 -3.486 -0.434 1.00 10.00 C ATOM 929 O ASP A 62 11.205 -4.347 -1.102 1.00 10.00 O ATOM 930 CB ASP A 62 10.676 -0.959 -0.840 1.00 10.00 C ATOM 931 CG ASP A 62 11.895 -0.777 -1.729 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.951 -1.332 -1.366 1.00 10.00 O ATOM 933 OD2 ASP A 62 11.752 -0.039 -2.732 1.00 10.00 O ATOM 0 H ASP A 62 8.399 -1.291 -0.124 1.00 10.00 H new ATOM 0 HA ASP A 62 9.963 -2.463 -2.168 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.983 -0.135 -1.008 1.00 10.00 H new ATOM 0 HB3 ASP A 62 10.983 -0.910 0.205 1.00 10.00 H new ATOM 938 N LYS A 63 10.489 -3.592 0.890 1.00 10.00 N ATOM 939 CA LYS A 63 11.099 -4.623 1.706 1.00 10.00 C ATOM 940 C LYS A 63 10.460 -5.985 1.437 1.00 10.00 C ATOM 941 O LYS A 63 11.161 -6.995 1.445 1.00 10.00 O ATOM 942 CB LYS A 63 11.031 -4.225 3.186 1.00 10.00 C ATOM 943 CG LYS A 63 11.960 -5.124 4.015 1.00 10.00 C ATOM 944 CD LYS A 63 12.051 -4.649 5.470 1.00 10.00 C ATOM 945 CE LYS A 63 13.081 -5.506 6.223 1.00 10.00 C ATOM 946 NZ LYS A 63 13.274 -5.057 7.617 1.00 10.00 N ATOM 0 H LYS A 63 9.921 -2.939 1.430 1.00 10.00 H new ATOM 0 HA LYS A 63 12.151 -4.718 1.437 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.321 -3.181 3.304 1.00 10.00 H new ATOM 0 HB3 LYS A 63 10.007 -4.314 3.548 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.594 -6.150 3.989 1.00 10.00 H new ATOM 0 HG3 LYS A 63 12.955 -5.129 3.570 1.00 10.00 H new ATOM 0 HD2 LYS A 63 12.341 -3.599 5.504 1.00 10.00 H new ATOM 0 HD3 LYS A 63 11.076 -4.726 5.951 1.00 10.00 H new ATOM 0 HE2 LYS A 63 12.756 -6.546 6.221 1.00 10.00 H new ATOM 0 HE3 LYS A 63 14.035 -5.469 5.697 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 13.977 -5.665 8.083 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 13.610 -4.073 7.621 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 12.371 -5.116 8.129 1.00 10.00 H new ATOM 960 N LEU A 64 9.144 -6.039 1.188 1.00 10.00 N ATOM 961 CA LEU A 64 8.527 -7.232 0.632 1.00 10.00 C ATOM 962 C LEU A 64 9.227 -7.725 -0.644 1.00 10.00 C ATOM 963 O LEU A 64 9.199 -8.925 -0.910 1.00 10.00 O ATOM 964 CB LEU A 64 7.052 -6.952 0.347 1.00 10.00 C ATOM 965 CG LEU A 64 6.151 -7.177 1.559 1.00 10.00 C ATOM 966 CD1 LEU A 64 4.839 -6.438 1.301 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.885 -8.670 1.746 1.00 10.00 C ATOM 0 H LEU A 64 8.497 -5.271 1.365 1.00 10.00 H new ATOM 0 HA LEU A 64 8.626 -8.027 1.371 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.943 -5.922 0.008 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.719 -7.593 -0.469 1.00 10.00 H new ATOM 0 HG LEU A 64 6.628 -6.804 2.465 1.00 10.00 H new ATOM 0 HD11 LEU A 64 4.170 -6.578 2.150 1.00 10.00 H new ATOM 0 HD12 LEU A 64 5.040 -5.375 1.169 1.00 10.00 H new ATOM 0 HD13 LEU A 64 4.370 -6.833 0.400 1.00 10.00 H new ATOM 0 HD21 LEU A 64 5.242 -8.819 2.613 1.00 10.00 H new ATOM 0 HD22 LEU A 64 5.394 -9.066 0.857 1.00 10.00 H new ATOM 0 HD23 LEU A 64 6.830 -9.191 1.901 1.00 10.00 H new ATOM 979 N GLY A 65 9.845 -6.829 -1.419 1.00 10.00 N ATOM 980 CA GLY A 65 10.720 -7.196 -2.524 1.00 10.00 C ATOM 981 C GLY A 65 10.097 -6.915 -3.888 1.00 10.00 C ATOM 982 O GLY A 65 10.391 -7.616 -4.855 1.00 10.00 O ATOM 0 H GLY A 65 9.748 -5.822 -1.292 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.657 -6.647 -2.437 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.964 -8.256 -2.452 1.00 10.00 H new ATOM 986 N TYR A 66 9.256 -5.884 -3.987 1.00 10.00 N ATOM 987 CA TYR A 66 8.764 -5.350 -5.251 1.00 10.00 C ATOM 988 C TYR A 66 8.451 -3.875 -5.020 1.00 10.00 C ATOM 989 O TYR A 66 8.355 -3.458 -3.870 1.00 10.00 O ATOM 990 CB TYR A 66 7.572 -6.159 -5.778 1.00 10.00 C ATOM 991 CG TYR A 66 6.720 -6.844 -4.730 1.00 10.00 C ATOM 992 CD1 TYR A 66 5.789 -6.104 -3.982 1.00 10.00 C ATOM 993 CD2 TYR A 66 6.920 -8.207 -4.440 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.095 -6.716 -2.931 1.00 10.00 C ATOM 995 CE2 TYR A 66 6.161 -8.836 -3.439 1.00 10.00 C ATOM 996 CZ TYR A 66 5.230 -8.094 -2.699 1.00 10.00 C ATOM 997 OH TYR A 66 4.472 -8.709 -1.745 1.00 10.00 O ATOM 0 H TYR A 66 8.893 -5.389 -3.172 1.00 10.00 H new ATOM 0 HA TYR A 66 9.515 -5.435 -6.037 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.934 -5.492 -6.358 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.948 -6.917 -6.465 1.00 10.00 H new ATOM 0 HD1 TYR A 66 5.609 -5.065 -4.217 1.00 10.00 H new ATOM 0 HD2 TYR A 66 7.659 -8.771 -4.989 1.00 10.00 H new ATOM 0 HE1 TYR A 66 4.452 -6.125 -2.295 1.00 10.00 H new ATOM 0 HE2 TYR A 66 6.295 -9.889 -3.240 1.00 10.00 H new ATOM 0 HH TYR A 66 4.692 -9.664 -1.717 1.00 10.00 H new ATOM 1007 N LYS A 67 8.368 -3.065 -6.078 1.00 10.00 N ATOM 1008 CA LYS A 67 8.435 -1.615 -5.922 1.00 10.00 C ATOM 1009 C LYS A 67 7.037 -1.002 -5.937 1.00 10.00 C ATOM 1010 O LYS A 67 6.101 -1.543 -6.530 1.00 10.00 O ATOM 1011 CB LYS A 67 9.368 -1.008 -6.982 1.00 10.00 C ATOM 1012 CG LYS A 67 10.334 0.080 -6.473 1.00 10.00 C ATOM 1013 CD LYS A 67 9.858 1.502 -6.810 1.00 10.00 C ATOM 1014 CE LYS A 67 10.936 2.550 -6.496 1.00 10.00 C ATOM 1015 NZ LYS A 67 12.096 2.452 -7.409 1.00 10.00 N ATOM 0 H LYS A 67 8.256 -3.386 -7.040 1.00 10.00 H new ATOM 0 HA LYS A 67 8.863 -1.377 -4.948 1.00 10.00 H new ATOM 0 HB2 LYS A 67 9.955 -1.811 -7.426 1.00 10.00 H new ATOM 0 HB3 LYS A 67 8.757 -0.583 -7.778 1.00 10.00 H new ATOM 0 HG2 LYS A 67 10.445 -0.015 -5.393 1.00 10.00 H new ATOM 0 HG3 LYS A 67 11.319 -0.082 -6.910 1.00 10.00 H new ATOM 0 HD2 LYS A 67 9.594 1.557 -7.866 1.00 10.00 H new ATOM 0 HD3 LYS A 67 8.955 1.728 -6.243 1.00 10.00 H new ATOM 0 HE2 LYS A 67 10.502 3.547 -6.569 1.00 10.00 H new ATOM 0 HE3 LYS A 67 11.274 2.424 -5.467 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 12.698 3.293 -7.297 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 12.646 1.599 -7.181 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 11.760 2.395 -8.392 1.00 10.00 H new ATOM 1029 N LEU A 68 6.931 0.142 -5.260 1.00 10.00 N ATOM 1030 CA LEU A 68 5.705 0.896 -5.055 1.00 10.00 C ATOM 1031 C LEU A 68 5.994 2.363 -5.333 1.00 10.00 C ATOM 1032 O LEU A 68 7.079 2.844 -5.000 1.00 10.00 O ATOM 1033 CB LEU A 68 5.275 0.755 -3.588 1.00 10.00 C ATOM 1034 CG LEU A 68 3.858 1.285 -3.325 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.829 0.258 -3.781 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.615 1.599 -1.854 1.00 10.00 C ATOM 0 H LEU A 68 7.739 0.584 -4.821 1.00 10.00 H new ATOM 0 HA LEU A 68 4.919 0.527 -5.714 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.323 -0.295 -3.300 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.981 1.292 -2.955 1.00 10.00 H new ATOM 0 HG LEU A 68 3.758 2.212 -3.889 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.826 0.640 -3.592 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.951 0.070 -4.848 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.974 -0.671 -3.230 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.598 1.970 -1.724 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.749 0.694 -1.262 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.323 2.358 -1.522 1.00 10.00 H new ATOM 1048 N LYS A 69 5.013 3.095 -5.862 1.00 10.00 N ATOM 1049 CA LYS A 69 5.042 4.538 -5.866 1.00 10.00 C ATOM 1050 C LYS A 69 3.621 5.072 -5.870 1.00 10.00 C ATOM 1051 O LYS A 69 2.724 4.371 -6.322 1.00 10.00 O ATOM 1052 CB LYS A 69 5.832 5.027 -7.087 1.00 10.00 C ATOM 1053 CG LYS A 69 6.474 6.390 -6.839 1.00 10.00 C ATOM 1054 CD LYS A 69 7.351 6.304 -5.581 1.00 10.00 C ATOM 1055 CE LYS A 69 8.547 7.267 -5.610 1.00 10.00 C ATOM 1056 NZ LYS A 69 8.130 8.683 -5.540 1.00 10.00 N ATOM 0 H LYS A 69 4.182 2.694 -6.297 1.00 10.00 H new ATOM 0 HA LYS A 69 5.539 4.909 -4.970 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.606 4.300 -7.334 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.167 5.090 -7.949 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.076 6.686 -7.699 1.00 10.00 H new ATOM 0 HG3 LYS A 69 5.705 7.152 -6.711 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.740 6.520 -4.705 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.717 5.283 -5.470 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.210 7.044 -4.774 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.120 7.104 -6.523 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.971 9.294 -5.563 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.519 8.905 -6.351 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.606 8.847 -4.657 1.00 10.00 H new ATOM 1070 N LEU A 70 3.414 6.290 -5.354 1.00 10.00 N ATOM 1071 CA LEU A 70 2.098 6.907 -5.396 1.00 10.00 C ATOM 1072 C LEU A 70 1.706 7.191 -6.843 1.00 10.00 C ATOM 1073 O LEU A 70 2.556 7.375 -7.713 1.00 10.00 O ATOM 1074 CB LEU A 70 2.060 8.221 -4.605 1.00 10.00 C ATOM 1075 CG LEU A 70 0.677 8.608 -4.060 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.320 7.709 -2.878 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.685 10.066 -3.596 1.00 10.00 C ATOM 0 H LEU A 70 4.137 6.856 -4.909 1.00 10.00 H new ATOM 0 HA LEU A 70 1.395 6.210 -4.940 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.756 8.145 -3.769 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.419 9.025 -5.247 1.00 10.00 H new ATOM 0 HG LEU A 70 -0.061 8.485 -4.853 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.662 7.986 -2.494 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.302 6.669 -3.204 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.065 7.829 -2.091 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -0.300 10.331 -3.211 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.428 10.193 -2.809 1.00 10.00 H new ATOM 0 HD23 LEU A 70 0.932 10.714 -4.437 1.00 10.00 H new ATOM 1089 N LYS A 71 0.400 7.268 -7.046 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.301 7.610 -8.251 1.00 10.00 C ATOM 1091 C LYS A 71 -1.100 8.874 -7.965 1.00 10.00 C ATOM 1092 O LYS A 71 -0.959 9.882 -8.652 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.223 6.427 -8.532 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.105 6.671 -9.745 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.441 5.293 -10.317 1.00 10.00 C ATOM 1096 CE LYS A 71 -3.136 5.301 -11.679 1.00 10.00 C ATOM 1097 NZ LYS A 71 -3.083 3.944 -12.268 1.00 10.00 N ATOM 0 H LYS A 71 -0.252 7.070 -6.287 1.00 10.00 H new ATOM 0 HA LYS A 71 0.349 7.796 -9.106 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.624 5.531 -8.693 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.849 6.240 -7.660 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -3.012 7.207 -9.465 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.588 7.283 -10.484 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -1.519 4.719 -10.402 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -3.079 4.768 -9.605 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -4.172 5.621 -11.569 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.651 6.016 -12.343 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.368 3.988 -13.267 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.113 3.574 -12.200 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.730 3.316 -11.751 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.936 8.800 -6.930 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.748 9.906 -6.481 1.00 10.00 C ATOM 1113 C GLY A 72 -3.673 9.401 -5.385 1.00 10.00 C ATOM 1114 O GLY A 72 -3.289 9.372 -4.218 1.00 10.00 O ATOM 0 H GLY A 72 -2.063 7.952 -6.378 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.118 10.712 -6.105 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.327 10.314 -7.310 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.867 8.955 -5.769 1.00 10.00 N ATOM 1119 CA GLU A 73 -6.000 8.772 -4.882 1.00 10.00 C ATOM 1120 C GLU A 73 -6.988 7.822 -5.550 1.00 10.00 C ATOM 1121 O GLU A 73 -6.807 7.480 -6.718 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.631 10.139 -4.564 1.00 10.00 C ATOM 1123 CG GLU A 73 -7.051 10.911 -5.825 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.655 12.263 -5.467 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.680 12.252 -4.751 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -7.075 13.278 -5.907 1.00 10.00 O ATOM 0 H GLU A 73 -5.073 8.705 -6.736 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.689 8.332 -3.935 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.503 9.992 -3.927 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.919 10.739 -3.997 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -6.185 11.056 -6.471 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.775 10.324 -6.390 1.00 10.00 H new