USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -6.09! C(o=-6.1!,f=-5.6!) USER MOD Single : A 24 ASN : amide:sc= -0.737 K(o=-0.74,f=-4.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0785 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -8:sc= 0.337! USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -117:sc= 0.0229 (180deg=-1.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.199) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -12.497 1.680 -9.555 1.00 0.00 N ATOM 14 CA LEU A 2 -11.538 1.170 -8.581 1.00 0.00 C ATOM 15 C LEU A 2 -10.209 1.912 -8.686 1.00 0.00 C ATOM 16 O LEU A 2 -9.997 2.705 -9.603 1.00 0.00 O ATOM 17 CB LEU A 2 -11.316 -0.331 -8.785 1.00 0.00 C ATOM 18 CG LEU A 2 -12.498 -1.091 -9.394 1.00 0.00 C ATOM 19 CD1 LEU A 2 -12.228 -2.588 -9.377 1.00 0.00 C ATOM 20 CD2 LEU A 2 -13.785 -0.774 -8.646 1.00 0.00 C ATOM 0 HA LEU A 2 -11.949 1.336 -7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.447 -0.469 -9.428 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.074 -0.780 -7.822 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.617 -0.770 -10.429 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.076 -3.116 -9.813 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.330 -2.802 -9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.083 -2.920 -8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.612 -1.324 -9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.680 -1.066 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.986 0.296 -8.705 1.00 0.00 H new ATOM 32 N VAL A 3 -9.319 1.646 -7.737 1.00 0.00 N ATOM 33 CA VAL A 3 -8.008 2.283 -7.714 1.00 0.00 C ATOM 34 C VAL A 3 -6.904 1.232 -7.591 1.00 0.00 C ATOM 35 O VAL A 3 -7.156 0.095 -7.199 1.00 0.00 O ATOM 36 CB VAL A 3 -7.915 3.305 -6.547 1.00 0.00 C ATOM 37 CG1 VAL A 3 -6.471 3.584 -6.137 1.00 0.00 C ATOM 38 CG2 VAL A 3 -8.620 4.599 -6.924 1.00 0.00 C ATOM 0 H VAL A 3 -9.482 0.992 -6.972 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.873 2.820 -8.653 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.414 2.861 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.458 4.304 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.999 2.657 -5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.924 3.991 -6.987 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.548 5.307 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.149 5.025 -7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.669 4.393 -7.135 1.00 0.00 H new ATOM 48 N GLU A 4 -5.681 1.630 -7.925 1.00 0.00 N ATOM 49 CA GLU A 4 -4.534 0.734 -7.847 1.00 0.00 C ATOM 50 C GLU A 4 -3.443 1.341 -6.971 1.00 0.00 C ATOM 51 O GLU A 4 -2.571 2.060 -7.458 1.00 0.00 O ATOM 52 CB GLU A 4 -3.985 0.451 -9.246 1.00 0.00 C ATOM 53 CG GLU A 4 -4.952 -0.314 -10.135 1.00 0.00 C ATOM 54 CD GLU A 4 -4.385 -0.584 -11.514 1.00 0.00 C ATOM 55 OE1 GLU A 4 -3.660 -1.590 -11.671 1.00 0.00 O ATOM 56 OE2 GLU A 4 -4.665 0.209 -12.438 1.00 0.00 O ATOM 0 H GLU A 4 -5.459 2.570 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.860 -0.205 -7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.733 1.396 -9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.059 -0.118 -9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.206 -1.261 -9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.878 0.253 -10.231 1.00 0.00 H new ATOM 63 N LEU A 5 -3.500 1.051 -5.674 1.00 0.00 N ATOM 64 CA LEU A 5 -2.517 1.574 -4.733 1.00 0.00 C ATOM 65 C LEU A 5 -1.098 1.315 -5.226 1.00 0.00 C ATOM 66 O LEU A 5 -0.845 0.346 -5.942 1.00 0.00 O ATOM 67 CB LEU A 5 -2.712 0.947 -3.350 1.00 0.00 C ATOM 68 CG LEU A 5 -3.085 1.930 -2.240 1.00 0.00 C ATOM 69 CD1 LEU A 5 -2.042 3.031 -2.127 1.00 0.00 C ATOM 70 CD2 LEU A 5 -4.463 2.523 -2.495 1.00 0.00 C ATOM 0 H LEU A 5 -4.215 0.458 -5.253 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.665 2.651 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.491 0.188 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.792 0.435 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.113 1.387 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.325 3.720 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.072 2.591 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.980 3.572 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.713 3.220 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.461 3.050 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.203 1.724 -2.524 1.00 0.00 H new ATOM 82 N LYS A 6 -0.176 2.188 -4.838 1.00 0.00 N ATOM 83 CA LYS A 6 1.217 2.054 -5.241 1.00 0.00 C ATOM 84 C LYS A 6 2.155 2.405 -4.093 1.00 0.00 C ATOM 85 O LYS A 6 1.831 3.226 -3.235 1.00 0.00 O ATOM 86 CB LYS A 6 1.510 2.950 -6.445 1.00 0.00 C ATOM 87 CG LYS A 6 0.795 2.517 -7.714 1.00 0.00 C ATOM 88 CD LYS A 6 1.752 2.440 -8.894 1.00 0.00 C ATOM 89 CE LYS A 6 1.064 1.893 -10.134 1.00 0.00 C ATOM 90 NZ LYS A 6 1.398 0.461 -10.370 1.00 0.00 N ATOM 0 H LYS A 6 -0.368 2.995 -4.245 1.00 0.00 H new ATOM 0 HA LYS A 6 1.388 1.014 -5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.220 3.973 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.584 2.958 -6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.330 1.544 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.007 3.220 -7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.151 3.432 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.599 1.804 -8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.015 2.001 -10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.359 2.482 -11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.909 0.127 -11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.425 0.361 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.093 -0.106 -9.553 1.00 0.00 H new ATOM 104 N VAL A 7 3.324 1.776 -4.092 1.00 0.00 N ATOM 105 CA VAL A 7 4.331 2.009 -3.063 1.00 0.00 C ATOM 106 C VAL A 7 4.548 3.505 -2.842 1.00 0.00 C ATOM 107 O VAL A 7 4.542 4.286 -3.794 1.00 0.00 O ATOM 108 CB VAL A 7 5.667 1.349 -3.456 1.00 0.00 C ATOM 109 CG1 VAL A 7 6.752 1.642 -2.431 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.485 -0.152 -3.634 1.00 0.00 C ATOM 0 H VAL A 7 3.600 1.095 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 7 3.969 1.564 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 7 5.987 1.776 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.681 1.162 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.905 2.719 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.448 1.255 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.437 -0.604 -3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.135 -0.589 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.752 -0.339 -4.419 1.00 0.00 H new ATOM 120 N PRO A 8 4.737 3.928 -1.580 1.00 0.00 N ATOM 121 CA PRO A 8 4.949 5.338 -1.251 1.00 0.00 C ATOM 122 C PRO A 8 6.330 5.834 -1.657 1.00 0.00 C ATOM 123 O PRO A 8 7.047 5.173 -2.409 1.00 0.00 O ATOM 124 CB PRO A 8 4.804 5.376 0.269 1.00 0.00 C ATOM 125 CG PRO A 8 5.191 4.008 0.719 1.00 0.00 C ATOM 126 CD PRO A 8 4.754 3.070 -0.377 1.00 0.00 C ATOM 0 HA PRO A 8 4.247 5.982 -1.781 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.450 6.136 0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.782 5.616 0.564 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.266 3.941 0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.708 3.757 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.445 2.235 -0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.771 2.645 -0.173 1.00 0.00 H new ATOM 134 N ASP A 9 6.692 7.005 -1.151 1.00 0.00 N ATOM 135 CA ASP A 9 7.981 7.610 -1.447 1.00 0.00 C ATOM 136 C ASP A 9 8.998 7.282 -0.359 1.00 0.00 C ATOM 137 O ASP A 9 9.276 8.107 0.511 1.00 0.00 O ATOM 138 CB ASP A 9 7.821 9.122 -1.567 1.00 0.00 C ATOM 139 CG ASP A 9 7.892 9.601 -3.004 1.00 0.00 C ATOM 140 OD1 ASP A 9 8.580 8.945 -3.816 1.00 0.00 O ATOM 141 OD2 ASP A 9 7.261 10.632 -3.318 1.00 0.00 O ATOM 0 H ASP A 9 6.104 7.558 -0.528 1.00 0.00 H new ATOM 0 HA ASP A 9 8.346 7.204 -2.391 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.865 9.418 -1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.600 9.614 -0.984 1.00 0.00 H new ATOM 146 N ILE A 10 9.551 6.076 -0.412 1.00 0.00 N ATOM 147 CA ILE A 10 10.538 5.651 0.575 1.00 0.00 C ATOM 148 C ILE A 10 11.926 6.170 0.224 1.00 0.00 C ATOM 149 O ILE A 10 12.871 5.396 0.073 1.00 0.00 O ATOM 150 CB ILE A 10 10.597 4.113 0.729 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.392 3.410 -0.616 1.00 0.00 C ATOM 152 CG2 ILE A 10 9.559 3.644 1.736 1.00 0.00 C ATOM 153 CD1 ILE A 10 11.290 3.930 -1.719 1.00 0.00 C ATOM 0 H ILE A 10 9.335 5.378 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 10 10.217 6.077 1.525 1.00 0.00 H new ATOM 0 HB ILE A 10 11.589 3.850 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.570 2.342 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.352 3.526 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.612 2.560 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.756 4.106 2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.564 3.929 1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.087 3.384 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.097 4.991 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.333 3.789 -1.436 1.00 0.00 H new ATOM 197 N GLU A 14 14.372 2.251 -5.773 1.00 0.00 N ATOM 198 CA GLU A 14 13.571 1.034 -5.837 1.00 0.00 C ATOM 199 C GLU A 14 14.183 -0.069 -4.987 1.00 0.00 C ATOM 200 O GLU A 14 15.111 0.163 -4.214 1.00 0.00 O ATOM 201 CB GLU A 14 13.442 0.561 -7.286 1.00 0.00 C ATOM 202 CG GLU A 14 13.178 1.686 -8.272 1.00 0.00 C ATOM 203 CD GLU A 14 14.162 1.692 -9.426 1.00 0.00 C ATOM 204 OE1 GLU A 14 15.351 1.993 -9.191 1.00 0.00 O ATOM 205 OE2 GLU A 14 13.743 1.394 -10.565 1.00 0.00 O ATOM 0 HA GLU A 14 12.580 1.262 -5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.358 0.045 -7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.632 -0.166 -7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.165 1.591 -8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.230 2.641 -7.750 1.00 0.00 H new ATOM 212 N ASN A 15 13.646 -1.272 -5.143 1.00 0.00 N ATOM 213 CA ASN A 15 14.118 -2.438 -4.402 1.00 0.00 C ATOM 214 C ASN A 15 14.303 -2.124 -2.921 1.00 0.00 C ATOM 215 O ASN A 15 15.428 -2.056 -2.425 1.00 0.00 O ATOM 216 CB ASN A 15 15.431 -2.957 -4.999 1.00 0.00 C ATOM 217 CG ASN A 15 16.575 -1.973 -4.845 1.00 0.00 C ATOM 218 OD1 ASN A 15 17.355 -2.053 -3.896 1.00 0.00 O ATOM 219 ND2 ASN A 15 16.681 -1.038 -5.783 1.00 0.00 N ATOM 0 H ASN A 15 12.876 -1.468 -5.782 1.00 0.00 H new ATOM 0 HA ASN A 15 13.356 -3.213 -4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.698 -3.897 -4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.284 -3.173 -6.057 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.432 -0.349 -5.734 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.012 -1.009 -6.552 1.00 0.00 H new ATOM 226 N VAL A 16 13.191 -1.946 -2.216 1.00 0.00 N ATOM 227 CA VAL A 16 13.226 -1.655 -0.789 1.00 0.00 C ATOM 228 C VAL A 16 12.448 -2.710 -0.010 1.00 0.00 C ATOM 229 O VAL A 16 12.048 -3.731 -0.570 1.00 0.00 O ATOM 230 CB VAL A 16 12.649 -0.260 -0.475 1.00 0.00 C ATOM 231 CG1 VAL A 16 13.412 0.816 -1.233 1.00 0.00 C ATOM 232 CG2 VAL A 16 11.165 -0.207 -0.804 1.00 0.00 C ATOM 0 H VAL A 16 12.252 -1.999 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 16 14.272 -1.670 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 16 12.765 -0.071 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.991 1.794 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 16 14.461 0.793 -0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 16 13.331 0.633 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.777 0.786 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.019 -0.418 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.634 -0.950 -0.209 1.00 0.00 H new ATOM 242 N ASP A 17 12.237 -2.470 1.279 1.00 0.00 N ATOM 243 CA ASP A 17 11.509 -3.419 2.115 1.00 0.00 C ATOM 244 C ASP A 17 10.374 -2.741 2.873 1.00 0.00 C ATOM 245 O ASP A 17 10.593 -1.779 3.609 1.00 0.00 O ATOM 246 CB ASP A 17 12.463 -4.089 3.104 1.00 0.00 C ATOM 247 CG ASP A 17 12.366 -5.602 3.069 1.00 0.00 C ATOM 248 OD1 ASP A 17 11.253 -6.129 3.279 1.00 0.00 O ATOM 249 OD2 ASP A 17 13.401 -6.259 2.832 1.00 0.00 O ATOM 0 H ASP A 17 12.557 -1.633 1.766 1.00 0.00 H new ATOM 0 HA ASP A 17 11.075 -4.173 1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.486 -3.788 2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.243 -3.737 4.112 1.00 0.00 H new ATOM 254 N ILE A 18 9.161 -3.262 2.702 1.00 0.00 N ATOM 255 CA ILE A 18 7.997 -2.720 3.384 1.00 0.00 C ATOM 256 C ILE A 18 8.184 -2.829 4.891 1.00 0.00 C ATOM 257 O ILE A 18 9.052 -3.564 5.360 1.00 0.00 O ATOM 258 CB ILE A 18 6.711 -3.461 2.946 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.381 -3.110 1.498 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.535 -3.120 3.852 1.00 0.00 C ATOM 261 CD1 ILE A 18 5.759 -4.253 0.726 1.00 0.00 C ATOM 0 H ILE A 18 8.963 -4.058 2.096 1.00 0.00 H new ATOM 0 HA ILE A 18 7.892 -1.669 3.113 1.00 0.00 H new ATOM 0 HB ILE A 18 6.892 -4.533 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.699 -2.260 1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.293 -2.794 0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.649 -3.658 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.769 -3.411 4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.345 -2.047 3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.551 -3.932 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.448 -5.097 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.829 -4.554 1.208 1.00 0.00 H new ATOM 273 N ILE A 19 7.380 -2.095 5.650 1.00 0.00 N ATOM 274 CA ILE A 19 7.505 -2.135 7.108 1.00 0.00 C ATOM 275 C ILE A 19 6.163 -2.430 7.791 1.00 0.00 C ATOM 276 O ILE A 19 6.126 -2.724 8.986 1.00 0.00 O ATOM 277 CB ILE A 19 8.172 -0.829 7.694 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.209 -0.009 8.571 1.00 0.00 C ATOM 279 CG2 ILE A 19 8.746 0.059 6.590 1.00 0.00 C ATOM 280 CD1 ILE A 19 7.880 1.124 9.313 1.00 0.00 C ATOM 0 H ILE A 19 6.650 -1.478 5.295 1.00 0.00 H new ATOM 0 HA ILE A 19 8.177 -2.963 7.333 1.00 0.00 H new ATOM 0 HB ILE A 19 8.987 -1.177 8.329 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.417 0.398 7.943 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.734 -0.673 9.293 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.196 0.947 7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.505 -0.494 6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.947 0.358 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.140 1.657 9.910 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.653 0.723 9.968 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.332 1.811 8.597 1.00 0.00 H new ATOM 292 N ALA A 20 5.069 -2.349 7.043 1.00 0.00 N ATOM 293 CA ALA A 20 3.752 -2.606 7.608 1.00 0.00 C ATOM 294 C ALA A 20 2.802 -3.179 6.564 1.00 0.00 C ATOM 295 O ALA A 20 2.972 -2.955 5.365 1.00 0.00 O ATOM 296 CB ALA A 20 3.186 -1.326 8.202 1.00 0.00 C ATOM 0 H ALA A 20 5.068 -2.109 6.052 1.00 0.00 H new ATOM 0 HA ALA A 20 3.858 -3.349 8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.201 -1.525 8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.850 -0.965 8.987 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.101 -0.569 7.422 1.00 0.00 H new ATOM 302 N VAL A 21 1.801 -3.922 7.027 1.00 0.00 N ATOM 303 CA VAL A 21 0.823 -4.528 6.133 1.00 0.00 C ATOM 304 C VAL A 21 -0.556 -4.587 6.782 1.00 0.00 C ATOM 305 O VAL A 21 -0.751 -5.270 7.788 1.00 0.00 O ATOM 306 CB VAL A 21 1.247 -5.951 5.721 1.00 0.00 C ATOM 307 CG1 VAL A 21 1.348 -6.854 6.941 1.00 0.00 C ATOM 308 CG2 VAL A 21 0.274 -6.526 4.702 1.00 0.00 C ATOM 0 H VAL A 21 1.647 -4.118 8.016 1.00 0.00 H new ATOM 0 HA VAL A 21 0.774 -3.899 5.244 1.00 0.00 H new ATOM 0 HB VAL A 21 2.232 -5.895 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.649 -7.854 6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.089 -6.451 7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.379 -6.904 7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.591 -7.531 4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.725 -6.567 5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.259 -5.892 3.816 1.00 0.00 H new ATOM 318 N GLU A 22 -1.509 -3.862 6.204 1.00 0.00 N ATOM 319 CA GLU A 22 -2.869 -3.830 6.730 1.00 0.00 C ATOM 320 C GLU A 22 -3.874 -4.344 5.703 1.00 0.00 C ATOM 321 O GLU A 22 -4.905 -4.912 6.063 1.00 0.00 O ATOM 322 CB GLU A 22 -3.240 -2.407 7.152 1.00 0.00 C ATOM 323 CG GLU A 22 -2.279 -1.802 8.162 1.00 0.00 C ATOM 324 CD GLU A 22 -2.932 -1.550 9.507 1.00 0.00 C ATOM 325 OE1 GLU A 22 -3.456 -2.513 10.103 1.00 0.00 O ATOM 326 OE2 GLU A 22 -2.919 -0.387 9.964 1.00 0.00 O ATOM 0 H GLU A 22 -1.365 -3.290 5.372 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.905 -4.486 7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.272 -1.771 6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.244 -2.413 7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.428 -2.470 8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.889 -0.863 7.770 1.00 0.00 H new ATOM 333 N VAL A 23 -3.572 -4.138 4.424 1.00 0.00 N ATOM 334 CA VAL A 23 -4.455 -4.582 3.353 1.00 0.00 C ATOM 335 C VAL A 23 -4.574 -6.101 3.329 1.00 0.00 C ATOM 336 O VAL A 23 -3.571 -6.814 3.334 1.00 0.00 O ATOM 337 CB VAL A 23 -3.959 -4.095 1.978 1.00 0.00 C ATOM 338 CG1 VAL A 23 -4.177 -2.597 1.829 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.493 -4.449 1.783 1.00 0.00 C ATOM 0 H VAL A 23 -2.725 -3.668 4.106 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.435 -4.148 3.553 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.538 -4.601 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.820 -2.273 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.240 -2.373 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.627 -2.070 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.161 -4.097 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.897 -3.974 2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.369 -5.530 1.840 1.00 0.00 H new ATOM 349 N ASN A 24 -5.810 -6.590 3.308 1.00 0.00 N ATOM 350 CA ASN A 24 -6.068 -8.025 3.287 1.00 0.00 C ATOM 351 C ASN A 24 -7.220 -8.370 2.344 1.00 0.00 C ATOM 352 O ASN A 24 -7.738 -9.486 2.368 1.00 0.00 O ATOM 353 CB ASN A 24 -6.394 -8.518 4.693 1.00 0.00 C ATOM 354 CG ASN A 24 -5.153 -8.693 5.548 1.00 0.00 C ATOM 355 OD1 ASN A 24 -4.328 -7.786 5.657 1.00 0.00 O ATOM 356 ND2 ASN A 24 -5.016 -9.864 6.159 1.00 0.00 N ATOM 0 H ASN A 24 -6.650 -6.012 3.305 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.168 -8.520 2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.068 -7.810 5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.924 -9.468 4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.202 -10.040 6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.725 -10.587 6.040 1.00 0.00 H new ATOM 363 N VAL A 25 -7.619 -7.408 1.518 1.00 0.00 N ATOM 364 CA VAL A 25 -8.708 -7.617 0.576 1.00 0.00 C ATOM 365 C VAL A 25 -10.018 -7.898 1.309 1.00 0.00 C ATOM 366 O VAL A 25 -10.134 -8.883 2.038 1.00 0.00 O ATOM 367 CB VAL A 25 -8.398 -8.785 -0.378 1.00 0.00 C ATOM 368 CG1 VAL A 25 -9.564 -9.039 -1.324 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.122 -8.508 -1.158 1.00 0.00 C ATOM 0 H VAL A 25 -7.203 -6.477 1.483 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.813 -6.701 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.249 -9.684 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.320 -9.869 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.454 -9.286 -0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.753 -8.144 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.917 -9.343 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.243 -7.596 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.290 -8.387 -0.464 1.00 0.00 H new ATOM 379 N GLY A 26 -10.999 -7.025 1.108 1.00 0.00 N ATOM 380 CA GLY A 26 -12.287 -7.196 1.755 1.00 0.00 C ATOM 381 C GLY A 26 -12.502 -6.231 2.907 1.00 0.00 C ATOM 382 O GLY A 26 -13.474 -6.356 3.652 1.00 0.00 O ATOM 0 H GLY A 26 -10.926 -6.203 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.079 -7.057 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.370 -8.218 2.124 1.00 0.00 H new ATOM 386 N ASP A 27 -11.598 -5.266 3.059 1.00 0.00 N ATOM 387 CA ASP A 27 -11.705 -4.283 4.132 1.00 0.00 C ATOM 388 C ASP A 27 -12.227 -2.952 3.600 1.00 0.00 C ATOM 389 O ASP A 27 -11.969 -2.587 2.453 1.00 0.00 O ATOM 390 CB ASP A 27 -10.346 -4.079 4.804 1.00 0.00 C ATOM 391 CG ASP A 27 -9.745 -5.379 5.299 1.00 0.00 C ATOM 392 OD1 ASP A 27 -9.912 -6.410 4.615 1.00 0.00 O ATOM 393 OD2 ASP A 27 -9.106 -5.367 6.373 1.00 0.00 O ATOM 0 H ASP A 27 -10.786 -5.145 2.454 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.413 -4.663 4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.661 -3.611 4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.458 -3.391 5.642 1.00 0.00 H new ATOM 398 N THR A 28 -12.963 -2.233 4.441 1.00 0.00 N ATOM 399 CA THR A 28 -13.521 -0.942 4.057 1.00 0.00 C ATOM 400 C THR A 28 -12.479 0.164 4.201 1.00 0.00 C ATOM 401 O THR A 28 -12.145 0.575 5.312 1.00 0.00 O ATOM 402 CB THR A 28 -14.748 -0.620 4.913 1.00 0.00 C ATOM 403 OG1 THR A 28 -15.635 -1.724 4.952 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.528 0.578 4.415 1.00 0.00 C ATOM 0 H THR A 28 -13.187 -2.523 5.393 1.00 0.00 H new ATOM 0 HA THR A 28 -13.822 -0.998 3.011 1.00 0.00 H new ATOM 0 HB THR A 28 -14.357 -0.392 5.904 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.412 -1.500 5.505 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.384 0.751 5.067 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.885 1.458 4.419 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.877 0.389 3.400 1.00 0.00 H new ATOM 412 N ILE A 29 -11.967 0.634 3.070 1.00 0.00 N ATOM 413 CA ILE A 29 -10.958 1.688 3.065 1.00 0.00 C ATOM 414 C ILE A 29 -11.592 3.069 2.925 1.00 0.00 C ATOM 415 O ILE A 29 -12.692 3.208 2.390 1.00 0.00 O ATOM 416 CB ILE A 29 -9.948 1.488 1.920 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.682 1.318 0.590 1.00 0.00 C ATOM 418 CG2 ILE A 29 -9.059 0.286 2.200 1.00 0.00 C ATOM 419 CD1 ILE A 29 -10.280 2.331 -0.459 1.00 0.00 C ATOM 0 H ILE A 29 -12.234 0.302 2.143 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.439 1.627 4.022 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.315 2.373 1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.493 0.316 0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.755 1.395 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.351 0.159 1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.513 0.446 3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.675 -0.609 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.842 2.148 -1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.495 3.336 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.213 2.240 -0.663 1.00 0.00 H new ATOM 431 N ALA A 30 -10.885 4.086 3.408 1.00 0.00 N ATOM 432 CA ALA A 30 -11.368 5.460 3.336 1.00 0.00 C ATOM 433 C ALA A 30 -10.352 6.355 2.632 1.00 0.00 C ATOM 434 O ALA A 30 -9.312 5.885 2.172 1.00 0.00 O ATOM 435 CB ALA A 30 -11.664 5.989 4.731 1.00 0.00 C ATOM 0 H ALA A 30 -9.974 3.984 3.854 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.290 5.469 2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.024 7.016 4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.427 5.368 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.754 5.963 5.331 1.00 0.00 H new ATOM 441 N VAL A 31 -10.660 7.645 2.548 1.00 0.00 N ATOM 442 CA VAL A 31 -9.770 8.601 1.895 1.00 0.00 C ATOM 443 C VAL A 31 -8.783 9.204 2.890 1.00 0.00 C ATOM 444 O VAL A 31 -8.545 10.412 2.890 1.00 0.00 O ATOM 445 CB VAL A 31 -10.562 9.737 1.222 1.00 0.00 C ATOM 446 CG1 VAL A 31 -9.647 10.580 0.348 1.00 0.00 C ATOM 447 CG2 VAL A 31 -11.718 9.173 0.410 1.00 0.00 C ATOM 0 H VAL A 31 -11.517 8.053 2.923 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.220 8.050 1.132 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.975 10.379 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.224 11.378 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.857 11.015 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.203 9.953 -0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.266 9.990 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.330 8.507 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.387 8.617 1.067 1.00 0.00 H new ATOM 457 N ASP A 32 -8.210 8.353 3.740 1.00 0.00 N ATOM 458 CA ASP A 32 -7.244 8.788 4.747 1.00 0.00 C ATOM 459 C ASP A 32 -7.066 7.711 5.811 1.00 0.00 C ATOM 460 O ASP A 32 -7.493 7.878 6.954 1.00 0.00 O ATOM 461 CB ASP A 32 -7.695 10.095 5.408 1.00 0.00 C ATOM 462 CG ASP A 32 -9.181 10.108 5.707 1.00 0.00 C ATOM 463 OD1 ASP A 32 -9.692 9.093 6.225 1.00 0.00 O ATOM 464 OD2 ASP A 32 -9.835 11.134 5.422 1.00 0.00 O ATOM 0 H ASP A 32 -8.400 7.351 3.750 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.291 8.960 4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.139 10.241 6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.451 10.933 4.754 1.00 0.00 H new ATOM 469 N ASP A 33 -6.437 6.604 5.430 1.00 0.00 N ATOM 470 CA ASP A 33 -6.210 5.502 6.356 1.00 0.00 C ATOM 471 C ASP A 33 -4.916 4.775 6.020 1.00 0.00 C ATOM 472 O ASP A 33 -4.760 4.242 4.922 1.00 0.00 O ATOM 473 CB ASP A 33 -7.385 4.523 6.313 1.00 0.00 C ATOM 474 CG ASP A 33 -7.815 4.200 4.895 1.00 0.00 C ATOM 475 OD1 ASP A 33 -8.623 4.967 4.331 1.00 0.00 O ATOM 476 OD2 ASP A 33 -7.344 3.179 4.351 1.00 0.00 O ATOM 0 H ASP A 33 -6.076 6.447 4.489 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.126 5.913 7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.106 3.602 6.824 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.228 4.947 6.858 1.00 0.00 H new ATOM 481 N THR A 34 -3.989 4.758 6.970 1.00 0.00 N ATOM 482 CA THR A 34 -2.710 4.096 6.765 1.00 0.00 C ATOM 483 C THR A 34 -2.897 2.637 6.385 1.00 0.00 C ATOM 484 O THR A 34 -3.377 1.827 7.180 1.00 0.00 O ATOM 485 CB THR A 34 -1.837 4.197 8.004 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.624 4.353 9.172 1.00 0.00 O ATOM 487 CG2 THR A 34 -0.854 5.344 7.944 1.00 0.00 C ATOM 0 H THR A 34 -4.100 5.194 7.886 1.00 0.00 H new ATOM 0 HA THR A 34 -2.212 4.607 5.942 1.00 0.00 H new ATOM 0 HB THR A 34 -1.278 3.262 8.040 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.038 4.414 9.955 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.260 5.362 8.858 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.195 5.214 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.397 6.284 7.845 1.00 0.00 H new ATOM 495 N LEU A 35 -2.493 2.307 5.168 1.00 0.00 N ATOM 496 CA LEU A 35 -2.589 0.946 4.669 1.00 0.00 C ATOM 497 C LEU A 35 -1.325 0.186 5.035 1.00 0.00 C ATOM 498 O LEU A 35 -1.382 -0.954 5.495 1.00 0.00 O ATOM 499 CB LEU A 35 -2.788 0.942 3.151 1.00 0.00 C ATOM 500 CG LEU A 35 -4.138 1.480 2.676 1.00 0.00 C ATOM 501 CD1 LEU A 35 -4.199 1.503 1.157 1.00 0.00 C ATOM 502 CD2 LEU A 35 -5.275 0.643 3.244 1.00 0.00 C ATOM 0 H LEU A 35 -2.093 2.970 4.504 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.451 0.459 5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.996 1.535 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.672 -0.079 2.787 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.248 2.502 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.167 1.889 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.407 2.145 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.066 0.492 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.228 1.040 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.168 -0.389 2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.244 0.678 4.333 1.00 0.00 H new ATOM 514 N ILE A 36 -0.185 0.843 4.848 1.00 0.00 N ATOM 515 CA ILE A 36 1.104 0.249 5.179 1.00 0.00 C ATOM 516 C ILE A 36 2.130 1.317 5.522 1.00 0.00 C ATOM 517 O ILE A 36 1.838 2.513 5.498 1.00 0.00 O ATOM 518 CB ILE A 36 1.666 -0.635 4.034 1.00 0.00 C ATOM 519 CG1 ILE A 36 1.707 0.096 2.682 1.00 0.00 C ATOM 520 CG2 ILE A 36 0.845 -1.901 3.906 1.00 0.00 C ATOM 521 CD1 ILE A 36 2.341 1.472 2.711 1.00 0.00 C ATOM 0 H ILE A 36 -0.128 1.788 4.468 1.00 0.00 H new ATOM 0 HA ILE A 36 0.925 -0.386 6.047 1.00 0.00 H new ATOM 0 HB ILE A 36 2.695 -0.880 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.252 -0.523 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.688 0.191 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.247 -2.515 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.887 -2.458 4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.190 -1.642 3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.321 1.903 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.785 2.114 3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.374 1.390 3.050 1.00 0.00 H new ATOM 533 N THR A 37 3.339 0.870 5.806 1.00 0.00 N ATOM 534 CA THR A 37 4.441 1.760 6.116 1.00 0.00 C ATOM 535 C THR A 37 5.714 1.163 5.539 1.00 0.00 C ATOM 536 O THR A 37 6.074 0.035 5.860 1.00 0.00 O ATOM 537 CB THR A 37 4.570 1.967 7.626 1.00 0.00 C ATOM 538 OG1 THR A 37 3.437 2.649 8.135 1.00 0.00 O ATOM 539 CG2 THR A 37 5.797 2.764 8.014 1.00 0.00 C ATOM 0 H THR A 37 3.584 -0.120 5.828 1.00 0.00 H new ATOM 0 HA THR A 37 4.259 2.739 5.673 1.00 0.00 H new ATOM 0 HB THR A 37 4.654 0.967 8.052 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.536 2.771 9.102 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.831 2.876 9.098 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.692 2.242 7.675 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.753 3.749 7.549 1.00 0.00 H new ATOM 547 N LEU A 38 6.369 1.903 4.655 1.00 0.00 N ATOM 548 CA LEU A 38 7.580 1.409 4.013 1.00 0.00 C ATOM 549 C LEU A 38 8.810 2.190 4.453 1.00 0.00 C ATOM 550 O LEU A 38 8.704 3.257 5.057 1.00 0.00 O ATOM 551 CB LEU A 38 7.428 1.476 2.496 1.00 0.00 C ATOM 552 CG LEU A 38 6.534 0.394 1.893 1.00 0.00 C ATOM 553 CD1 LEU A 38 5.112 0.904 1.742 1.00 0.00 C ATOM 554 CD2 LEU A 38 7.086 -0.068 0.554 1.00 0.00 C ATOM 0 H LEU A 38 6.086 2.840 4.368 1.00 0.00 H new ATOM 0 HA LEU A 38 7.722 0.372 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.024 2.452 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.417 1.405 2.042 1.00 0.00 H new ATOM 0 HG LEU A 38 6.520 -0.461 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.488 0.121 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.720 1.183 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.105 1.775 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.437 -0.839 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.130 0.777 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.088 -0.474 0.694 1.00 0.00 H new ATOM 566 N GLU A 39 9.980 1.643 4.143 1.00 0.00 N ATOM 567 CA GLU A 39 11.240 2.277 4.499 1.00 0.00 C ATOM 568 C GLU A 39 12.405 1.600 3.786 1.00 0.00 C ATOM 569 O GLU A 39 12.280 0.476 3.300 1.00 0.00 O ATOM 570 CB GLU A 39 11.451 2.221 6.011 1.00 0.00 C ATOM 571 CG GLU A 39 12.802 2.756 6.460 1.00 0.00 C ATOM 572 CD GLU A 39 12.976 2.711 7.966 1.00 0.00 C ATOM 573 OE1 GLU A 39 11.984 2.428 8.670 1.00 0.00 O ATOM 574 OE2 GLU A 39 14.106 2.957 8.439 1.00 0.00 O ATOM 0 H GLU A 39 10.080 0.759 3.644 1.00 0.00 H new ATOM 0 HA GLU A 39 11.199 3.320 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.663 2.793 6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.350 1.188 6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.594 2.174 5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.914 3.784 6.116 1.00 0.00 H new ATOM 581 N THR A 40 13.534 2.293 3.724 1.00 0.00 N ATOM 582 CA THR A 40 14.721 1.763 3.069 1.00 0.00 C ATOM 583 C THR A 40 15.882 1.671 4.048 1.00 0.00 C ATOM 584 O THR A 40 16.437 0.596 4.277 1.00 0.00 O ATOM 585 CB THR A 40 15.106 2.651 1.886 1.00 0.00 C ATOM 586 OG1 THR A 40 15.853 3.772 2.321 1.00 0.00 O ATOM 587 CG2 THR A 40 13.910 3.167 1.115 1.00 0.00 C ATOM 0 H THR A 40 13.652 3.225 4.120 1.00 0.00 H new ATOM 0 HA THR A 40 14.495 0.760 2.707 1.00 0.00 H new ATOM 0 HB THR A 40 15.698 2.016 1.227 1.00 0.00 H new ATOM 0 HG1 THR A 40 16.091 4.326 1.549 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.251 3.790 0.289 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.339 2.325 0.723 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.277 3.757 1.778 1.00 0.00 H new ATOM 595 N ASP A 41 16.240 2.809 4.624 1.00 0.00 N ATOM 596 CA ASP A 41 17.334 2.874 5.585 1.00 0.00 C ATOM 597 C ASP A 41 17.522 4.297 6.096 1.00 0.00 C ATOM 598 O ASP A 41 17.847 4.510 7.264 1.00 0.00 O ATOM 599 CB ASP A 41 18.631 2.371 4.948 1.00 0.00 C ATOM 600 CG ASP A 41 19.116 1.076 5.568 1.00 0.00 C ATOM 601 OD1 ASP A 41 18.322 0.426 6.282 1.00 0.00 O ATOM 602 OD2 ASP A 41 20.288 0.711 5.341 1.00 0.00 O ATOM 0 H ASP A 41 15.787 3.705 4.442 1.00 0.00 H new ATOM 0 HA ASP A 41 17.082 2.234 6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.474 2.222 3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.403 3.133 5.054 1.00 0.00 H new ATOM 607 N LYS A 42 17.317 5.271 5.214 1.00 0.00 N ATOM 608 CA LYS A 42 17.464 6.674 5.579 1.00 0.00 C ATOM 609 C LYS A 42 16.124 7.408 5.537 1.00 0.00 C ATOM 610 O LYS A 42 16.010 8.531 6.030 1.00 0.00 O ATOM 611 CB LYS A 42 18.465 7.360 4.645 1.00 0.00 C ATOM 612 CG LYS A 42 17.921 7.620 3.250 1.00 0.00 C ATOM 613 CD LYS A 42 17.191 8.951 3.178 1.00 0.00 C ATOM 614 CE LYS A 42 18.038 10.014 2.498 1.00 0.00 C ATOM 615 NZ LYS A 42 18.652 10.949 3.480 1.00 0.00 N ATOM 0 H LYS A 42 17.049 5.113 4.243 1.00 0.00 H new ATOM 0 HA LYS A 42 17.837 6.714 6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 42 18.771 8.308 5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 42 19.359 6.741 4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 42 18.741 7.614 2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.242 6.815 2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 42 16.256 8.825 2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.931 9.280 4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.823 9.534 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.420 10.577 1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 19.221 11.658 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.902 11.427 4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.262 10.416 4.132 1.00 0.00 H new ATOM 629 N ALA A 43 15.110 6.778 4.948 1.00 0.00 N ATOM 630 CA ALA A 43 13.790 7.389 4.851 1.00 0.00 C ATOM 631 C ALA A 43 12.682 6.357 5.038 1.00 0.00 C ATOM 632 O ALA A 43 12.751 5.250 4.505 1.00 0.00 O ATOM 633 CB ALA A 43 13.634 8.095 3.513 1.00 0.00 C ATOM 0 H ALA A 43 15.178 5.849 4.533 1.00 0.00 H new ATOM 0 HA ALA A 43 13.701 8.122 5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.644 8.547 3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.393 8.871 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.753 7.373 2.705 1.00 0.00 H new ATOM 639 N THR A 44 11.656 6.735 5.795 1.00 0.00 N ATOM 640 CA THR A 44 10.523 5.851 6.054 1.00 0.00 C ATOM 641 C THR A 44 9.226 6.491 5.568 1.00 0.00 C ATOM 642 O THR A 44 8.924 7.634 5.909 1.00 0.00 O ATOM 643 CB THR A 44 10.422 5.539 7.548 1.00 0.00 C ATOM 644 OG1 THR A 44 9.723 6.567 8.228 1.00 0.00 O ATOM 645 CG2 THR A 44 11.768 5.378 8.219 1.00 0.00 C ATOM 0 H THR A 44 11.586 7.650 6.241 1.00 0.00 H new ATOM 0 HA THR A 44 10.682 4.921 5.509 1.00 0.00 H new ATOM 0 HB THR A 44 9.889 4.590 7.609 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.572 7.319 7.618 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.623 5.158 9.277 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.313 4.559 7.749 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.339 6.301 8.115 1.00 0.00 H new ATOM 653 N MET A 45 8.467 5.753 4.764 1.00 0.00 N ATOM 654 CA MET A 45 7.209 6.264 4.229 1.00 0.00 C ATOM 655 C MET A 45 6.022 5.403 4.652 1.00 0.00 C ATOM 656 O MET A 45 6.129 4.568 5.551 1.00 0.00 O ATOM 657 CB MET A 45 7.277 6.337 2.703 1.00 0.00 C ATOM 658 CG MET A 45 7.199 7.754 2.157 1.00 0.00 C ATOM 659 SD MET A 45 5.818 8.692 2.838 1.00 0.00 S ATOM 660 CE MET A 45 5.411 9.751 1.452 1.00 0.00 C ATOM 0 H MET A 45 8.699 4.804 4.470 1.00 0.00 H new ATOM 0 HA MET A 45 7.061 7.264 4.637 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.207 5.878 2.367 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.461 5.749 2.283 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.130 8.275 2.378 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.106 7.715 1.072 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.572 10.393 1.719 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.274 10.367 1.199 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.139 9.138 0.593 1.00 0.00 H new ATOM 670 N ASP A 46 4.889 5.621 3.990 1.00 0.00 N ATOM 671 CA ASP A 46 3.664 4.882 4.274 1.00 0.00 C ATOM 672 C ASP A 46 2.546 5.340 3.345 1.00 0.00 C ATOM 673 O ASP A 46 2.709 6.301 2.593 1.00 0.00 O ATOM 674 CB ASP A 46 3.249 5.082 5.733 1.00 0.00 C ATOM 675 CG ASP A 46 3.222 6.544 6.132 1.00 0.00 C ATOM 676 OD1 ASP A 46 2.928 7.391 5.261 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.494 6.843 7.313 1.00 0.00 O ATOM 0 H ASP A 46 4.795 6.312 3.245 1.00 0.00 H new ATOM 0 HA ASP A 46 3.851 3.821 4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.262 4.647 5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.941 4.544 6.381 1.00 0.00 H new ATOM 682 N VAL A 47 1.409 4.652 3.392 1.00 0.00 N ATOM 683 CA VAL A 47 0.277 5.005 2.542 1.00 0.00 C ATOM 684 C VAL A 47 -0.995 5.203 3.363 1.00 0.00 C ATOM 685 O VAL A 47 -1.514 4.250 3.940 1.00 0.00 O ATOM 686 CB VAL A 47 0.015 3.927 1.473 1.00 0.00 C ATOM 687 CG1 VAL A 47 -1.196 4.295 0.626 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.245 3.733 0.600 1.00 0.00 C ATOM 0 H VAL A 47 1.248 3.853 4.005 1.00 0.00 H new ATOM 0 HA VAL A 47 0.539 5.942 2.050 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.198 2.985 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.365 3.521 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.075 4.379 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.016 5.248 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.042 2.968 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.490 4.672 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.085 3.420 1.220 1.00 0.00 H new ATOM 698 N PRO A 48 -1.519 6.445 3.417 1.00 0.00 N ATOM 699 CA PRO A 48 -2.733 6.766 4.159 1.00 0.00 C ATOM 700 C PRO A 48 -3.992 6.624 3.306 1.00 0.00 C ATOM 701 O PRO A 48 -4.974 7.336 3.512 1.00 0.00 O ATOM 702 CB PRO A 48 -2.502 8.226 4.524 1.00 0.00 C ATOM 703 CG PRO A 48 -1.762 8.785 3.354 1.00 0.00 C ATOM 704 CD PRO A 48 -0.968 7.643 2.756 1.00 0.00 C ATOM 0 HA PRO A 48 -2.897 6.103 5.008 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.444 8.750 4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.923 8.320 5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.454 9.201 2.621 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.102 9.595 3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.091 7.594 1.674 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.099 7.752 2.951 1.00 0.00 H new ATOM 712 N ALA A 49 -3.954 5.705 2.346 1.00 0.00 N ATOM 713 CA ALA A 49 -5.091 5.477 1.462 1.00 0.00 C ATOM 714 C ALA A 49 -5.501 6.763 0.751 1.00 0.00 C ATOM 715 O ALA A 49 -5.104 7.858 1.149 1.00 0.00 O ATOM 716 CB ALA A 49 -6.264 4.910 2.248 1.00 0.00 C ATOM 0 H ALA A 49 -3.149 5.107 2.161 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.791 4.754 0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.106 4.744 1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.973 3.964 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.555 5.615 3.027 1.00 0.00 H new ATOM 722 N GLU A 50 -6.300 6.623 -0.303 1.00 0.00 N ATOM 723 CA GLU A 50 -6.763 7.775 -1.067 1.00 0.00 C ATOM 724 C GLU A 50 -7.996 7.425 -1.886 1.00 0.00 C ATOM 725 O GLU A 50 -8.081 7.752 -3.068 1.00 0.00 O ATOM 726 CB GLU A 50 -5.653 8.288 -1.984 1.00 0.00 C ATOM 727 CG GLU A 50 -6.004 9.585 -2.697 1.00 0.00 C ATOM 728 CD GLU A 50 -4.783 10.298 -3.242 1.00 0.00 C ATOM 729 OE1 GLU A 50 -4.057 9.694 -4.060 1.00 0.00 O ATOM 730 OE2 GLU A 50 -4.553 11.462 -2.853 1.00 0.00 O ATOM 0 H GLU A 50 -6.639 5.724 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.031 8.561 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.748 8.440 -1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.425 7.524 -2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.691 9.371 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.528 10.245 -2.006 1.00 0.00 H new ATOM 737 N VAL A 51 -8.945 6.751 -1.245 1.00 0.00 N ATOM 738 CA VAL A 51 -10.175 6.340 -1.909 1.00 0.00 C ATOM 739 C VAL A 51 -11.154 5.736 -0.905 1.00 0.00 C ATOM 740 O VAL A 51 -10.766 5.358 0.198 1.00 0.00 O ATOM 741 CB VAL A 51 -9.898 5.326 -3.039 1.00 0.00 C ATOM 742 CG1 VAL A 51 -9.677 6.052 -4.357 1.00 0.00 C ATOM 743 CG2 VAL A 51 -8.696 4.448 -2.705 1.00 0.00 C ATOM 0 H VAL A 51 -8.885 6.478 -0.264 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.618 7.233 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.770 4.679 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.483 5.324 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.567 6.630 -4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.823 6.723 -4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.523 3.743 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.813 5.074 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.891 3.899 -1.784 1.00 0.00 H new ATOM 753 N ALA A 52 -12.428 5.665 -1.284 1.00 0.00 N ATOM 754 CA ALA A 52 -13.456 5.128 -0.396 1.00 0.00 C ATOM 755 C ALA A 52 -14.168 3.923 -0.993 1.00 0.00 C ATOM 756 O ALA A 52 -15.222 4.060 -1.610 1.00 0.00 O ATOM 757 CB ALA A 52 -14.473 6.202 -0.081 1.00 0.00 C ATOM 0 H ALA A 52 -12.772 5.971 -2.194 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.954 4.799 0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.237 5.796 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.977 7.041 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.939 6.545 -1.005 1.00 0.00 H new ATOM 763 N GLY A 53 -13.608 2.745 -0.792 1.00 0.00 N ATOM 764 CA GLY A 53 -14.232 1.547 -1.317 1.00 0.00 C ATOM 765 C GLY A 53 -13.758 0.279 -0.633 1.00 0.00 C ATOM 766 O GLY A 53 -13.577 0.250 0.584 1.00 0.00 O ATOM 0 H GLY A 53 -12.739 2.593 -0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.313 1.630 -1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.025 1.475 -2.385 1.00 0.00 H new ATOM 770 N VAL A 54 -13.570 -0.774 -1.420 1.00 0.00 N ATOM 771 CA VAL A 54 -13.127 -2.060 -0.891 1.00 0.00 C ATOM 772 C VAL A 54 -11.948 -2.605 -1.690 1.00 0.00 C ATOM 773 O VAL A 54 -11.916 -2.493 -2.915 1.00 0.00 O ATOM 774 CB VAL A 54 -14.272 -3.088 -0.928 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.805 -4.436 -0.400 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.469 -2.583 -0.137 1.00 0.00 C ATOM 0 H VAL A 54 -13.718 -0.763 -2.429 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.816 -1.897 0.141 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.579 -3.220 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.631 -5.147 -0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.984 -4.803 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.466 -4.326 0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.268 -3.323 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.176 -2.417 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.821 -1.646 -0.569 1.00 0.00 H new ATOM 786 N VAL A 55 -10.984 -3.204 -0.994 1.00 0.00 N ATOM 787 CA VAL A 55 -9.813 -3.767 -1.658 1.00 0.00 C ATOM 788 C VAL A 55 -10.137 -5.093 -2.322 1.00 0.00 C ATOM 789 O VAL A 55 -10.846 -5.931 -1.765 1.00 0.00 O ATOM 790 CB VAL A 55 -8.633 -3.981 -0.694 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.423 -4.520 -1.452 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.285 -2.687 0.024 1.00 0.00 C ATOM 0 H VAL A 55 -10.991 -3.311 0.020 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.522 -3.034 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.927 -4.715 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.595 -4.667 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.680 -5.472 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.129 -3.807 -2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.448 -2.860 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.009 -1.928 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.148 -2.344 0.595 1.00 0.00 H new ATOM 802 N LYS A 56 -9.592 -5.277 -3.514 1.00 0.00 N ATOM 803 CA LYS A 56 -9.790 -6.502 -4.269 1.00 0.00 C ATOM 804 C LYS A 56 -8.509 -7.305 -4.260 1.00 0.00 C ATOM 805 O LYS A 56 -8.508 -8.506 -3.993 1.00 0.00 O ATOM 806 CB LYS A 56 -10.176 -6.223 -5.730 1.00 0.00 C ATOM 807 CG LYS A 56 -10.480 -4.765 -6.055 1.00 0.00 C ATOM 808 CD LYS A 56 -11.837 -4.623 -6.723 1.00 0.00 C ATOM 809 CE LYS A 56 -12.641 -3.485 -6.113 1.00 0.00 C ATOM 810 NZ LYS A 56 -13.514 -3.956 -5.002 1.00 0.00 N ATOM 0 H LYS A 56 -9.004 -4.587 -3.982 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.604 -7.051 -3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.364 -6.560 -6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.051 -6.824 -5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.459 -4.173 -5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.706 -4.367 -6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.702 -4.444 -7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.392 -5.556 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.961 -2.719 -5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.254 -3.019 -6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.511 -3.800 -5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.352 -4.970 -4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.289 -3.426 -4.136 1.00 0.00 H new ATOM 824 N GLU A 57 -7.417 -6.622 -4.569 1.00 0.00 N ATOM 825 CA GLU A 57 -6.123 -7.261 -4.615 1.00 0.00 C ATOM 826 C GLU A 57 -5.224 -6.778 -3.481 1.00 0.00 C ATOM 827 O GLU A 57 -5.510 -5.776 -2.827 1.00 0.00 O ATOM 828 CB GLU A 57 -5.450 -7.009 -5.964 1.00 0.00 C ATOM 829 CG GLU A 57 -5.811 -8.037 -7.024 1.00 0.00 C ATOM 830 CD GLU A 57 -4.911 -7.959 -8.243 1.00 0.00 C ATOM 831 OE1 GLU A 57 -4.320 -6.884 -8.476 1.00 0.00 O ATOM 832 OE2 GLU A 57 -4.798 -8.974 -8.962 1.00 0.00 O ATOM 0 H GLU A 57 -7.407 -5.626 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.278 -8.333 -4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.729 -6.018 -6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.369 -7.005 -5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.747 -9.036 -6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.846 -7.889 -7.331 1.00 0.00 H new ATOM 839 N VAL A 58 -4.133 -7.501 -3.261 1.00 0.00 N ATOM 840 CA VAL A 58 -3.181 -7.162 -2.212 1.00 0.00 C ATOM 841 C VAL A 58 -1.800 -7.710 -2.551 1.00 0.00 C ATOM 842 O VAL A 58 -1.601 -8.922 -2.623 1.00 0.00 O ATOM 843 CB VAL A 58 -3.630 -7.719 -0.850 1.00 0.00 C ATOM 844 CG1 VAL A 58 -3.855 -9.218 -0.943 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.609 -7.388 0.229 1.00 0.00 C ATOM 0 H VAL A 58 -3.885 -8.331 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.136 -6.075 -2.147 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.573 -7.247 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.172 -9.599 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.627 -9.425 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.927 -9.707 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.946 -7.791 1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.647 -7.830 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.502 -6.306 0.309 1.00 0.00 H new ATOM 855 N LYS A 59 -0.856 -6.808 -2.770 1.00 0.00 N ATOM 856 CA LYS A 59 0.505 -7.191 -3.116 1.00 0.00 C ATOM 857 C LYS A 59 1.506 -6.487 -2.211 1.00 0.00 C ATOM 858 O LYS A 59 2.172 -5.537 -2.622 1.00 0.00 O ATOM 859 CB LYS A 59 0.783 -6.847 -4.578 1.00 0.00 C ATOM 860 CG LYS A 59 -0.428 -7.036 -5.481 1.00 0.00 C ATOM 861 CD LYS A 59 -0.049 -7.671 -6.807 1.00 0.00 C ATOM 862 CE LYS A 59 -0.888 -7.114 -7.948 1.00 0.00 C ATOM 863 NZ LYS A 59 -1.300 -8.176 -8.905 1.00 0.00 N ATOM 0 H LYS A 59 -1.008 -5.801 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 59 0.613 -8.266 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.118 -5.812 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.600 -7.470 -4.942 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.164 -7.661 -4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.901 -6.071 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.007 -7.493 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.184 -8.751 -6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.775 -6.627 -7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.319 -6.350 -8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.869 -7.755 -9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.454 -8.624 -9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.865 -8.893 -8.406 1.00 0.00 H new ATOM 877 N VAL A 60 1.596 -6.952 -0.972 1.00 0.00 N ATOM 878 CA VAL A 60 2.504 -6.360 0.000 1.00 0.00 C ATOM 879 C VAL A 60 2.502 -7.166 1.299 1.00 0.00 C ATOM 880 O VAL A 60 1.505 -7.791 1.657 1.00 0.00 O ATOM 881 CB VAL A 60 2.129 -4.876 0.274 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.621 -4.682 0.202 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.669 -4.378 1.614 1.00 0.00 C ATOM 0 H VAL A 60 1.051 -7.738 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 60 3.511 -6.384 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 60 2.602 -4.278 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.379 -3.637 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.266 -4.958 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.137 -5.312 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.380 -3.337 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.256 -4.984 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.756 -4.457 1.620 1.00 0.00 H new ATOM 893 N LYS A 61 3.632 -7.139 1.992 1.00 0.00 N ATOM 894 CA LYS A 61 3.778 -7.859 3.250 1.00 0.00 C ATOM 895 C LYS A 61 5.103 -7.510 3.921 1.00 0.00 C ATOM 896 O LYS A 61 6.163 -7.584 3.299 1.00 0.00 O ATOM 897 CB LYS A 61 3.691 -9.368 3.012 1.00 0.00 C ATOM 898 CG LYS A 61 4.917 -9.949 2.327 1.00 0.00 C ATOM 899 CD LYS A 61 6.010 -10.276 3.332 1.00 0.00 C ATOM 900 CE LYS A 61 6.366 -11.753 3.303 1.00 0.00 C ATOM 901 NZ LYS A 61 7.094 -12.126 2.059 1.00 0.00 N ATOM 0 H LYS A 61 4.464 -6.624 1.703 1.00 0.00 H new ATOM 0 HA LYS A 61 2.966 -7.558 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.548 -9.870 3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.811 -9.581 2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.639 -10.852 1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.296 -9.239 1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.897 -9.682 3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.680 -9.999 4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.981 -11.995 4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.456 -12.347 3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.318 -13.141 2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.498 -11.919 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.976 -11.578 1.995 1.00 0.00 H new ATOM 915 N VAL A 62 5.035 -7.130 5.192 1.00 0.00 N ATOM 916 CA VAL A 62 6.230 -6.766 5.949 1.00 0.00 C ATOM 917 C VAL A 62 7.342 -7.793 5.761 1.00 0.00 C ATOM 918 O VAL A 62 7.310 -8.873 6.352 1.00 0.00 O ATOM 919 CB VAL A 62 5.920 -6.632 7.452 1.00 0.00 C ATOM 920 CG1 VAL A 62 7.097 -6.010 8.187 1.00 0.00 C ATOM 921 CG2 VAL A 62 4.657 -5.810 7.664 1.00 0.00 C ATOM 0 H VAL A 62 4.165 -7.066 5.721 1.00 0.00 H new ATOM 0 HA VAL A 62 6.565 -5.803 5.564 1.00 0.00 H new ATOM 0 HB VAL A 62 5.752 -7.629 7.860 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.859 -5.923 9.247 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.978 -6.640 8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.299 -5.020 7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.453 -5.725 8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.795 -4.815 7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.817 -6.300 7.172 1.00 0.00 H new ATOM 931 N GLY A 63 8.325 -7.448 4.934 1.00 0.00 N ATOM 932 CA GLY A 63 9.436 -8.349 4.684 1.00 0.00 C ATOM 933 C GLY A 63 9.551 -8.747 3.224 1.00 0.00 C ATOM 934 O GLY A 63 10.084 -9.811 2.906 1.00 0.00 O ATOM 0 H GLY A 63 8.372 -6.561 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.364 -7.872 5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.315 -9.245 5.292 1.00 0.00 H new ATOM 938 N ASP A 64 9.052 -7.896 2.333 1.00 0.00 N ATOM 939 CA ASP A 64 9.105 -8.168 0.901 1.00 0.00 C ATOM 940 C ASP A 64 9.864 -7.067 0.166 1.00 0.00 C ATOM 941 O ASP A 64 10.269 -6.071 0.767 1.00 0.00 O ATOM 942 CB ASP A 64 7.691 -8.292 0.333 1.00 0.00 C ATOM 943 CG ASP A 64 6.806 -7.133 0.741 1.00 0.00 C ATOM 944 OD1 ASP A 64 7.257 -6.301 1.555 1.00 0.00 O ATOM 945 OD2 ASP A 64 5.662 -7.056 0.246 1.00 0.00 O ATOM 0 H ASP A 64 8.606 -7.012 2.578 1.00 0.00 H new ATOM 0 HA ASP A 64 9.633 -9.110 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.742 -8.343 -0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.245 -9.226 0.675 1.00 0.00 H new ATOM 950 N LYS A 65 10.051 -7.252 -1.137 1.00 0.00 N ATOM 951 CA LYS A 65 10.761 -6.275 -1.956 1.00 0.00 C ATOM 952 C LYS A 65 9.781 -5.365 -2.689 1.00 0.00 C ATOM 953 O LYS A 65 8.681 -5.785 -3.051 1.00 0.00 O ATOM 954 CB LYS A 65 11.666 -6.985 -2.966 1.00 0.00 C ATOM 955 CG LYS A 65 13.147 -6.861 -2.645 1.00 0.00 C ATOM 956 CD LYS A 65 13.942 -6.406 -3.859 1.00 0.00 C ATOM 957 CE LYS A 65 15.323 -7.041 -3.889 1.00 0.00 C ATOM 958 NZ LYS A 65 16.040 -6.873 -2.594 1.00 0.00 N ATOM 0 H LYS A 65 9.721 -8.070 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 65 11.375 -5.663 -1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.398 -8.041 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.482 -6.574 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.286 -6.150 -1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.527 -7.822 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.401 -6.666 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.039 -5.320 -3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.229 -8.103 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.911 -6.593 -4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.047 -7.101 -2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.946 -5.889 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.628 -7.512 -1.884 1.00 0.00 H new ATOM 972 N ILE A 66 10.183 -4.116 -2.903 1.00 0.00 N ATOM 973 CA ILE A 66 9.339 -3.147 -3.590 1.00 0.00 C ATOM 974 C ILE A 66 10.174 -2.257 -4.518 1.00 0.00 C ATOM 975 O ILE A 66 11.403 -2.249 -4.446 1.00 0.00 O ATOM 976 CB ILE A 66 8.523 -2.301 -2.557 1.00 0.00 C ATOM 977 CG1 ILE A 66 7.037 -2.646 -2.665 1.00 0.00 C ATOM 978 CG2 ILE A 66 8.726 -0.794 -2.719 1.00 0.00 C ATOM 979 CD1 ILE A 66 6.732 -4.094 -2.353 1.00 0.00 C ATOM 0 H ILE A 66 11.089 -3.752 -2.610 1.00 0.00 H new ATOM 0 HA ILE A 66 8.626 -3.687 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 66 8.899 -2.560 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.473 -2.009 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.691 -2.419 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.133 -0.265 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.780 -0.552 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.410 -0.489 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.660 -4.269 -2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.268 -4.737 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.047 -4.321 -1.334 1.00 0.00 H new ATOM 991 N SER A 67 9.494 -1.512 -5.385 1.00 0.00 N ATOM 992 CA SER A 67 10.168 -0.619 -6.323 1.00 0.00 C ATOM 993 C SER A 67 9.348 0.647 -6.554 1.00 0.00 C ATOM 994 O SER A 67 9.088 1.031 -7.694 1.00 0.00 O ATOM 995 CB SER A 67 10.410 -1.333 -7.654 1.00 0.00 C ATOM 996 OG SER A 67 9.191 -1.769 -8.229 1.00 0.00 O ATOM 0 H SER A 67 8.477 -1.509 -5.458 1.00 0.00 H new ATOM 0 HA SER A 67 11.127 -0.335 -5.891 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.920 -0.660 -8.343 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.068 -2.188 -7.497 1.00 0.00 H new ATOM 0 HG SER A 67 9.373 -2.221 -9.079 1.00 0.00 H new ATOM 1002 N GLU A 68 8.945 1.295 -5.463 1.00 0.00 N ATOM 1003 CA GLU A 68 8.155 2.524 -5.534 1.00 0.00 C ATOM 1004 C GLU A 68 7.089 2.451 -6.626 1.00 0.00 C ATOM 1005 O GLU A 68 6.970 3.358 -7.451 1.00 0.00 O ATOM 1006 CB GLU A 68 9.068 3.727 -5.782 1.00 0.00 C ATOM 1007 CG GLU A 68 10.016 4.019 -4.630 1.00 0.00 C ATOM 1008 CD GLU A 68 10.895 5.226 -4.891 1.00 0.00 C ATOM 1009 OE1 GLU A 68 10.913 5.710 -6.042 1.00 0.00 O ATOM 1010 OE2 GLU A 68 11.566 5.687 -3.944 1.00 0.00 O ATOM 0 H GLU A 68 9.154 0.987 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 68 7.648 2.642 -4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.651 3.550 -6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.453 4.607 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.437 4.185 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.646 3.147 -4.452 1.00 0.00 H new ATOM 1017 N GLY A 69 6.315 1.372 -6.623 1.00 0.00 N ATOM 1018 CA GLY A 69 5.269 1.209 -7.616 1.00 0.00 C ATOM 1019 C GLY A 69 5.100 -0.232 -8.047 1.00 0.00 C ATOM 1020 O GLY A 69 5.453 -0.596 -9.168 1.00 0.00 O ATOM 0 H GLY A 69 6.393 0.608 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.327 1.577 -7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.501 1.821 -8.488 1.00 0.00 H new ATOM 1024 N GLY A 70 4.560 -1.055 -7.154 1.00 0.00 N ATOM 1025 CA GLY A 70 4.359 -2.457 -7.473 1.00 0.00 C ATOM 1026 C GLY A 70 2.907 -2.876 -7.378 1.00 0.00 C ATOM 1027 O GLY A 70 2.606 -4.013 -7.015 1.00 0.00 O ATOM 0 H GLY A 70 4.259 -0.778 -6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.724 -2.652 -8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.954 -3.069 -6.795 1.00 0.00 H new ATOM 1031 N LEU A 71 1.999 -1.956 -7.701 1.00 0.00 N ATOM 1032 CA LEU A 71 0.565 -2.237 -7.645 1.00 0.00 C ATOM 1033 C LEU A 71 0.206 -2.985 -6.363 1.00 0.00 C ATOM 1034 O LEU A 71 -0.353 -4.081 -6.405 1.00 0.00 O ATOM 1035 CB LEU A 71 0.132 -3.053 -8.868 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.351 -3.443 -8.905 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.227 -2.290 -8.437 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.747 -3.878 -10.307 1.00 0.00 C ATOM 0 H LEU A 71 2.231 -1.010 -8.004 1.00 0.00 H new ATOM 0 HA LEU A 71 0.034 -1.285 -7.649 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.362 -2.480 -9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.731 -3.963 -8.908 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.502 -4.280 -8.224 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.274 -2.591 -8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.961 -2.022 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.075 -1.430 -9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.802 -4.152 -10.319 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.578 -3.057 -11.004 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.146 -4.737 -10.605 1.00 0.00 H new ATOM 1050 N ILE A 72 0.543 -2.385 -5.228 1.00 0.00 N ATOM 1051 CA ILE A 72 0.271 -2.987 -3.929 1.00 0.00 C ATOM 1052 C ILE A 72 -1.161 -3.526 -3.854 1.00 0.00 C ATOM 1053 O ILE A 72 -1.394 -4.716 -4.058 1.00 0.00 O ATOM 1054 CB ILE A 72 0.548 -1.972 -2.785 1.00 0.00 C ATOM 1055 CG1 ILE A 72 2.040 -1.971 -2.456 1.00 0.00 C ATOM 1056 CG2 ILE A 72 -0.264 -2.275 -1.526 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.593 -0.594 -2.183 1.00 0.00 C ATOM 0 H ILE A 72 1.007 -1.478 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 72 0.946 -3.833 -3.803 1.00 0.00 H new ATOM 0 HB ILE A 72 0.239 -0.987 -3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.213 -2.603 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.588 -2.416 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.033 -1.537 -0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.328 -2.234 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.011 -3.270 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.657 -0.667 -1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.452 0.036 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.071 -0.154 -1.333 1.00 0.00 H new ATOM 1069 N VAL A 73 -2.114 -2.653 -3.546 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.507 -3.068 -3.432 1.00 0.00 C ATOM 1071 C VAL A 73 -4.405 -2.325 -4.414 1.00 0.00 C ATOM 1072 O VAL A 73 -4.019 -1.305 -4.981 1.00 0.00 O ATOM 1073 CB VAL A 73 -4.040 -2.850 -2.004 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -3.237 -3.667 -1.003 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -4.012 -1.373 -1.641 1.00 0.00 C ATOM 0 H VAL A 73 -1.949 -1.661 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.530 -4.131 -3.670 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.075 -3.189 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.628 -3.500 0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.315 -4.725 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.191 -3.362 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.393 -1.240 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.988 -1.004 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.636 -0.815 -2.339 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.611 -2.850 -4.599 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.590 -2.255 -5.500 1.00 0.00 C ATOM 1087 C VAL A 74 -7.945 -2.157 -4.805 1.00 0.00 C ATOM 1088 O VAL A 74 -8.526 -3.172 -4.421 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.738 -3.087 -6.790 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -7.746 -2.446 -7.733 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.390 -3.259 -7.474 1.00 0.00 C ATOM 0 H VAL A 74 -5.936 -3.696 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.238 -1.259 -5.767 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.111 -4.075 -6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.834 -3.050 -8.636 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.717 -2.385 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.410 -1.444 -7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.515 -3.849 -8.382 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.984 -2.280 -7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.703 -3.772 -6.801 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.434 -0.934 -4.625 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.705 -0.718 -3.952 1.00 0.00 C ATOM 1103 C VAL A 75 -10.799 -0.277 -4.913 1.00 0.00 C ATOM 1104 O VAL A 75 -10.527 0.250 -5.991 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.565 0.326 -2.836 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -8.638 -0.181 -1.743 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -9.066 1.643 -3.401 1.00 0.00 C ATOM 0 H VAL A 75 -7.969 -0.081 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.993 -1.678 -3.523 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.547 0.495 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.551 0.573 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.044 -1.099 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.653 -0.381 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.972 2.372 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.093 1.493 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.773 2.012 -4.144 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.044 -0.501 -4.503 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.201 -0.136 -5.309 1.00 0.00 C ATOM 1119 C GLU A 76 -13.339 1.380 -5.416 1.00 0.00 C ATOM 1120 O GLU A 76 -13.741 1.901 -6.456 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.474 -0.736 -4.704 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.454 -1.257 -5.742 1.00 0.00 C ATOM 1123 CD GLU A 76 -16.805 -1.601 -5.146 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -16.874 -2.559 -4.347 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -17.792 -0.913 -5.477 1.00 0.00 O ATOM 0 H GLU A 76 -12.277 -0.937 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.056 -0.537 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.199 -1.551 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.970 0.021 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.585 -0.507 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.035 -2.143 -6.220 1.00 0.00 H new ATOM 1132 N ALA A 77 -12.990 2.081 -4.339 1.00 0.00 N ATOM 1133 CA ALA A 77 -13.064 3.535 -4.306 1.00 0.00 C ATOM 1134 C ALA A 77 -14.477 4.043 -4.581 1.00 0.00 C ATOM 1135 O ALA A 77 -15.186 3.518 -5.439 1.00 0.00 O ATOM 1136 CB ALA A 77 -12.088 4.121 -5.302 1.00 0.00 C ATOM 0 H ALA A 77 -12.651 1.660 -3.474 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.796 3.860 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.148 5.209 -5.273 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.076 3.806 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.336 3.771 -6.304 1.00 0.00 H new