USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=9 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= -6.23! C(o=-6.2!,f=-12!) USER MOD Single : A 24 ASN : amide:sc= -0.0435 X(o=-0.044,f=-0.26) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0828 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 43:sc= 0.488 USER MOD Single : A 45 MET CE :methyl -113:sc= -0.0152 (180deg=-2.55!) USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= -0.0234 (180deg=-0.417) USER MOD Single : A 59 LYS NZ :NH3+ -131:sc= 0.0643 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 160:sc= -0.111 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -12.874 2.033 -9.357 1.00 0.00 N ATOM 14 CA LEU A 2 -11.857 1.286 -8.624 1.00 0.00 C ATOM 15 C LEU A 2 -10.537 2.050 -8.597 1.00 0.00 C ATOM 16 O LEU A 2 -10.391 3.079 -9.255 1.00 0.00 O ATOM 17 CB LEU A 2 -11.652 -0.091 -9.255 1.00 0.00 C ATOM 18 CG LEU A 2 -12.874 -1.011 -9.216 1.00 0.00 C ATOM 19 CD1 LEU A 2 -13.348 -1.330 -10.624 1.00 0.00 C ATOM 20 CD2 LEU A 2 -12.555 -2.290 -8.456 1.00 0.00 C ATOM 0 HA LEU A 2 -12.203 1.158 -7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.351 0.044 -10.294 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.826 -0.588 -8.746 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.678 -0.492 -8.694 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -14.218 -1.985 -10.575 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.618 -0.406 -11.135 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.549 -1.828 -11.173 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.436 -2.932 -8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.735 -2.812 -8.950 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.265 -2.044 -7.435 1.00 0.00 H new ATOM 32 N VAL A 3 -9.580 1.541 -7.827 1.00 0.00 N ATOM 33 CA VAL A 3 -8.274 2.178 -7.711 1.00 0.00 C ATOM 34 C VAL A 3 -7.180 1.141 -7.454 1.00 0.00 C ATOM 35 O VAL A 3 -7.457 0.020 -7.037 1.00 0.00 O ATOM 36 CB VAL A 3 -8.282 3.245 -6.581 1.00 0.00 C ATOM 37 CG1 VAL A 3 -6.876 3.561 -6.073 1.00 0.00 C ATOM 38 CG2 VAL A 3 -8.970 4.511 -7.064 1.00 0.00 C ATOM 0 H VAL A 3 -9.685 0.690 -7.275 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.059 2.675 -8.657 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.839 2.829 -5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.934 4.312 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.420 2.654 -5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.270 3.944 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.970 5.252 -6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.436 4.908 -7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.997 4.282 -7.347 1.00 0.00 H new ATOM 48 N GLU A 4 -5.936 1.544 -7.699 1.00 0.00 N ATOM 49 CA GLU A 4 -4.782 0.677 -7.490 1.00 0.00 C ATOM 50 C GLU A 4 -3.679 1.439 -6.760 1.00 0.00 C ATOM 51 O GLU A 4 -3.027 2.308 -7.338 1.00 0.00 O ATOM 52 CB GLU A 4 -4.251 0.131 -8.824 1.00 0.00 C ATOM 53 CG GLU A 4 -4.755 0.876 -10.052 1.00 0.00 C ATOM 54 CD GLU A 4 -4.461 0.139 -11.343 1.00 0.00 C ATOM 55 OE1 GLU A 4 -5.204 -0.812 -11.666 1.00 0.00 O ATOM 56 OE2 GLU A 4 -3.486 0.510 -12.030 1.00 0.00 O ATOM 0 H GLU A 4 -5.701 2.474 -8.046 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.099 -0.168 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.162 0.171 -8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.531 -0.919 -8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.830 1.030 -9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.294 1.863 -10.088 1.00 0.00 H new ATOM 63 N LEU A 5 -3.484 1.118 -5.484 1.00 0.00 N ATOM 64 CA LEU A 5 -2.469 1.787 -4.676 1.00 0.00 C ATOM 65 C LEU A 5 -1.111 1.767 -5.367 1.00 0.00 C ATOM 66 O LEU A 5 -0.983 1.302 -6.499 1.00 0.00 O ATOM 67 CB LEU A 5 -2.361 1.137 -3.293 1.00 0.00 C ATOM 68 CG LEU A 5 -2.770 2.037 -2.126 1.00 0.00 C ATOM 69 CD1 LEU A 5 -1.851 3.246 -2.038 1.00 0.00 C ATOM 70 CD2 LEU A 5 -4.218 2.475 -2.275 1.00 0.00 C ATOM 0 H LEU A 5 -4.014 0.401 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.778 2.825 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.983 0.242 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.332 0.812 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.677 1.468 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.157 3.875 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.825 2.912 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.912 3.818 -2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.493 3.115 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.337 3.028 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.864 1.597 -2.289 1.00 0.00 H new ATOM 82 N LYS A 6 -0.101 2.280 -4.673 1.00 0.00 N ATOM 83 CA LYS A 6 1.252 2.329 -5.211 1.00 0.00 C ATOM 84 C LYS A 6 2.264 2.602 -4.105 1.00 0.00 C ATOM 85 O LYS A 6 1.996 3.368 -3.179 1.00 0.00 O ATOM 86 CB LYS A 6 1.349 3.406 -6.292 1.00 0.00 C ATOM 87 CG LYS A 6 0.811 2.960 -7.641 1.00 0.00 C ATOM 88 CD LYS A 6 1.669 3.480 -8.782 1.00 0.00 C ATOM 89 CE LYS A 6 0.819 4.092 -9.883 1.00 0.00 C ATOM 90 NZ LYS A 6 0.924 5.577 -9.907 1.00 0.00 N ATOM 0 H LYS A 6 -0.195 2.668 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 6 1.481 1.360 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.800 4.289 -5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.392 3.703 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.776 1.871 -7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.212 3.316 -7.762 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.367 4.226 -8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.265 2.664 -9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.131 3.691 -10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.223 3.804 -9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.329 5.955 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.603 5.963 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.914 5.852 -10.070 1.00 0.00 H new ATOM 104 N VAL A 7 3.425 1.967 -4.207 1.00 0.00 N ATOM 105 CA VAL A 7 4.482 2.136 -3.216 1.00 0.00 C ATOM 106 C VAL A 7 4.739 3.616 -2.936 1.00 0.00 C ATOM 107 O VAL A 7 4.750 4.435 -3.855 1.00 0.00 O ATOM 108 CB VAL A 7 5.792 1.466 -3.677 1.00 0.00 C ATOM 109 CG1 VAL A 7 6.887 1.661 -2.639 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.562 -0.013 -3.958 1.00 0.00 C ATOM 0 H VAL A 7 3.659 1.329 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 7 4.144 1.654 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 7 6.118 1.940 -4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.803 1.181 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.067 2.726 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.576 1.215 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.496 -0.471 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.212 -0.506 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.813 -0.122 -4.742 1.00 0.00 H new ATOM 120 N PRO A 8 4.938 3.983 -1.657 1.00 0.00 N ATOM 121 CA PRO A 8 5.182 5.373 -1.270 1.00 0.00 C ATOM 122 C PRO A 8 6.568 5.863 -1.663 1.00 0.00 C ATOM 123 O PRO A 8 7.270 5.223 -2.446 1.00 0.00 O ATOM 124 CB PRO A 8 5.047 5.355 0.252 1.00 0.00 C ATOM 125 CG PRO A 8 5.363 3.954 0.652 1.00 0.00 C ATOM 126 CD PRO A 8 4.932 3.075 -0.494 1.00 0.00 C ATOM 0 HA PRO A 8 4.489 6.049 -1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.733 6.062 0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.041 5.636 0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.428 3.838 0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.837 3.684 1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.617 2.239 -0.636 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.942 2.651 -0.323 1.00 0.00 H new ATOM 134 N ASP A 9 6.948 7.008 -1.113 1.00 0.00 N ATOM 135 CA ASP A 9 8.243 7.608 -1.395 1.00 0.00 C ATOM 136 C ASP A 9 9.270 7.210 -0.341 1.00 0.00 C ATOM 137 O ASP A 9 9.706 8.040 0.458 1.00 0.00 O ATOM 138 CB ASP A 9 8.104 9.127 -1.435 1.00 0.00 C ATOM 139 CG ASP A 9 8.108 9.673 -2.850 1.00 0.00 C ATOM 140 OD1 ASP A 9 8.468 8.918 -3.777 1.00 0.00 O ATOM 141 OD2 ASP A 9 7.752 10.857 -3.030 1.00 0.00 O ATOM 0 H ASP A 9 6.372 7.543 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 9 8.589 7.245 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.177 9.417 -0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.921 9.578 -0.872 1.00 0.00 H new ATOM 146 N ILE A 10 9.652 5.939 -0.340 1.00 0.00 N ATOM 147 CA ILE A 10 10.628 5.443 0.625 1.00 0.00 C ATOM 148 C ILE A 10 11.928 6.244 0.566 1.00 0.00 C ATOM 149 O ILE A 10 12.715 6.233 1.511 1.00 0.00 O ATOM 150 CB ILE A 10 10.945 3.944 0.424 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.873 3.552 -1.056 1.00 0.00 C ATOM 152 CG2 ILE A 10 9.993 3.092 1.248 1.00 0.00 C ATOM 153 CD1 ILE A 10 11.595 4.510 -1.977 1.00 0.00 C ATOM 0 H ILE A 10 9.304 5.236 -0.992 1.00 0.00 H new ATOM 0 HA ILE A 10 10.170 5.568 1.606 1.00 0.00 H new ATOM 0 HB ILE A 10 11.965 3.765 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.297 2.555 -1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.827 3.493 -1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.226 2.038 1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.102 3.341 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.967 3.285 0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.500 4.166 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.157 5.504 -1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.650 4.551 -1.705 1.00 0.00 H new ATOM 197 N GLU A 14 13.694 1.590 -5.984 1.00 0.00 N ATOM 198 CA GLU A 14 13.154 0.242 -6.106 1.00 0.00 C ATOM 199 C GLU A 14 13.741 -0.678 -5.041 1.00 0.00 C ATOM 200 O GLU A 14 14.594 -0.269 -4.253 1.00 0.00 O ATOM 201 CB GLU A 14 13.442 -0.321 -7.498 1.00 0.00 C ATOM 202 CG GLU A 14 14.924 -0.480 -7.795 1.00 0.00 C ATOM 203 CD GLU A 14 15.282 -0.065 -9.210 1.00 0.00 C ATOM 204 OE1 GLU A 14 14.886 -0.778 -10.155 1.00 0.00 O ATOM 205 OE2 GLU A 14 15.960 0.972 -9.370 1.00 0.00 O ATOM 0 HA GLU A 14 12.075 0.295 -5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.954 -1.291 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.999 0.337 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.499 0.118 -7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.212 -1.520 -7.641 1.00 0.00 H new ATOM 212 N ASN A 15 13.276 -1.923 -5.028 1.00 0.00 N ATOM 213 CA ASN A 15 13.748 -2.916 -4.065 1.00 0.00 C ATOM 214 C ASN A 15 13.829 -2.334 -2.655 1.00 0.00 C ATOM 215 O ASN A 15 14.917 -2.141 -2.114 1.00 0.00 O ATOM 216 CB ASN A 15 15.115 -3.461 -4.487 1.00 0.00 C ATOM 217 CG ASN A 15 16.192 -2.394 -4.496 1.00 0.00 C ATOM 218 OD1 ASN A 15 16.270 -1.581 -5.418 1.00 0.00 O ATOM 219 ND2 ASN A 15 17.033 -2.393 -3.469 1.00 0.00 N ATOM 0 H ASN A 15 12.569 -2.271 -5.676 1.00 0.00 H new ATOM 0 HA ASN A 15 13.026 -3.732 -4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.408 -4.262 -3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.036 -3.900 -5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.780 -1.700 -3.422 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.932 -3.085 -2.726 1.00 0.00 H new ATOM 226 N VAL A 16 12.669 -2.065 -2.063 1.00 0.00 N ATOM 227 CA VAL A 16 12.608 -1.516 -0.715 1.00 0.00 C ATOM 228 C VAL A 16 11.722 -2.380 0.174 1.00 0.00 C ATOM 229 O VAL A 16 10.566 -2.645 -0.152 1.00 0.00 O ATOM 230 CB VAL A 16 12.081 -0.066 -0.712 1.00 0.00 C ATOM 231 CG1 VAL A 16 12.936 0.813 -1.611 1.00 0.00 C ATOM 232 CG2 VAL A 16 10.620 -0.019 -1.137 1.00 0.00 C ATOM 0 H VAL A 16 11.759 -2.219 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 16 13.625 -1.511 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 16 12.146 0.320 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.550 1.832 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 16 13.965 0.810 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.907 0.428 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.271 1.014 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.521 -0.426 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.021 -0.611 -0.445 1.00 0.00 H new ATOM 242 N ASP A 17 12.278 -2.827 1.292 1.00 0.00 N ATOM 243 CA ASP A 17 11.544 -3.676 2.220 1.00 0.00 C ATOM 244 C ASP A 17 10.445 -2.904 2.942 1.00 0.00 C ATOM 245 O ASP A 17 10.709 -1.905 3.615 1.00 0.00 O ATOM 246 CB ASP A 17 12.503 -4.292 3.240 1.00 0.00 C ATOM 247 CG ASP A 17 13.574 -5.143 2.586 1.00 0.00 C ATOM 248 OD1 ASP A 17 13.419 -5.479 1.394 1.00 0.00 O ATOM 249 OD2 ASP A 17 14.568 -5.472 3.267 1.00 0.00 O ATOM 0 H ASP A 17 13.234 -2.616 1.578 1.00 0.00 H new ATOM 0 HA ASP A 17 11.071 -4.468 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.976 -3.497 3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.937 -4.902 3.944 1.00 0.00 H new ATOM 254 N ILE A 18 9.211 -3.386 2.813 1.00 0.00 N ATOM 255 CA ILE A 18 8.076 -2.763 3.469 1.00 0.00 C ATOM 256 C ILE A 18 8.266 -2.818 4.979 1.00 0.00 C ATOM 257 O ILE A 18 9.109 -3.568 5.472 1.00 0.00 O ATOM 258 CB ILE A 18 6.763 -3.472 3.070 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.458 -3.202 1.601 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.600 -3.022 3.945 1.00 0.00 C ATOM 261 CD1 ILE A 18 6.193 -4.457 0.796 1.00 0.00 C ATOM 0 H ILE A 18 8.977 -4.209 2.257 1.00 0.00 H new ATOM 0 HA ILE A 18 8.012 -1.722 3.152 1.00 0.00 H new ATOM 0 HB ILE A 18 6.894 -4.544 3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.589 -2.547 1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.297 -2.666 1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.692 -3.540 3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.817 -3.257 4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.458 -1.947 3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.984 -4.188 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.069 -5.104 0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.335 -4.983 1.215 1.00 0.00 H new ATOM 273 N ILE A 19 7.499 -2.026 5.715 1.00 0.00 N ATOM 274 CA ILE A 19 7.636 -2.021 7.173 1.00 0.00 C ATOM 275 C ILE A 19 6.292 -2.266 7.874 1.00 0.00 C ATOM 276 O ILE A 19 6.258 -2.536 9.075 1.00 0.00 O ATOM 277 CB ILE A 19 8.339 -0.714 7.712 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.414 0.140 8.596 1.00 0.00 C ATOM 279 CG2 ILE A 19 8.897 0.140 6.574 1.00 0.00 C ATOM 280 CD1 ILE A 19 8.123 1.272 9.302 1.00 0.00 C ATOM 0 H ILE A 19 6.791 -1.392 5.343 1.00 0.00 H new ATOM 0 HA ILE A 19 8.293 -2.855 7.421 1.00 0.00 H new ATOM 0 HB ILE A 19 9.165 -1.061 8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.615 0.552 7.979 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.943 -0.502 9.340 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.373 1.030 6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.632 -0.437 6.013 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.085 0.437 5.910 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.407 1.829 9.906 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.903 0.867 9.946 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.571 1.937 8.564 1.00 0.00 H new ATOM 292 N ALA A 20 5.194 -2.170 7.134 1.00 0.00 N ATOM 293 CA ALA A 20 3.875 -2.382 7.712 1.00 0.00 C ATOM 294 C ALA A 20 2.881 -2.869 6.664 1.00 0.00 C ATOM 295 O ALA A 20 2.938 -2.463 5.504 1.00 0.00 O ATOM 296 CB ALA A 20 3.383 -1.097 8.358 1.00 0.00 C ATOM 0 H ALA A 20 5.191 -1.948 6.138 1.00 0.00 H new ATOM 0 HA ALA A 20 3.955 -3.157 8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.395 -1.261 8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.076 -0.796 9.144 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.324 -0.311 7.605 1.00 0.00 H new ATOM 302 N VAL A 21 1.968 -3.741 7.083 1.00 0.00 N ATOM 303 CA VAL A 21 0.961 -4.282 6.179 1.00 0.00 C ATOM 304 C VAL A 21 -0.364 -4.505 6.899 1.00 0.00 C ATOM 305 O VAL A 21 -0.429 -5.227 7.893 1.00 0.00 O ATOM 306 CB VAL A 21 1.420 -5.612 5.552 1.00 0.00 C ATOM 307 CG1 VAL A 21 1.616 -6.672 6.625 1.00 0.00 C ATOM 308 CG2 VAL A 21 0.415 -6.080 4.508 1.00 0.00 C ATOM 0 H VAL A 21 1.906 -4.087 8.041 1.00 0.00 H new ATOM 0 HA VAL A 21 0.823 -3.545 5.388 1.00 0.00 H new ATOM 0 HB VAL A 21 2.378 -5.449 5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.940 -7.604 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.373 -6.337 7.334 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.675 -6.836 7.150 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.753 -7.021 4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.557 -6.226 4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.329 -5.328 3.723 1.00 0.00 H new ATOM 318 N GLU A 22 -1.423 -3.882 6.388 1.00 0.00 N ATOM 319 CA GLU A 22 -2.748 -4.018 6.985 1.00 0.00 C ATOM 320 C GLU A 22 -3.823 -4.129 5.909 1.00 0.00 C ATOM 321 O GLU A 22 -4.846 -3.447 5.969 1.00 0.00 O ATOM 322 CB GLU A 22 -3.053 -2.830 7.902 1.00 0.00 C ATOM 323 CG GLU A 22 -2.394 -1.532 7.466 1.00 0.00 C ATOM 324 CD GLU A 22 -2.449 -0.462 8.539 1.00 0.00 C ATOM 325 OE1 GLU A 22 -3.567 -0.017 8.876 1.00 0.00 O ATOM 326 OE2 GLU A 22 -1.377 -0.071 9.043 1.00 0.00 O ATOM 0 H GLU A 22 -1.390 -3.280 5.565 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.752 -4.933 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.132 -2.683 7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.726 -3.071 8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.354 -1.727 7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.885 -1.164 6.565 1.00 0.00 H new ATOM 333 N VAL A 23 -3.584 -4.991 4.927 1.00 0.00 N ATOM 334 CA VAL A 23 -4.534 -5.189 3.839 1.00 0.00 C ATOM 335 C VAL A 23 -4.556 -6.643 3.382 1.00 0.00 C ATOM 336 O VAL A 23 -3.527 -7.203 3.003 1.00 0.00 O ATOM 337 CB VAL A 23 -4.201 -4.287 2.636 1.00 0.00 C ATOM 338 CG1 VAL A 23 -4.557 -2.839 2.940 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.734 -4.414 2.263 1.00 0.00 C ATOM 0 H VAL A 23 -2.742 -5.563 4.862 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.518 -4.921 4.225 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.798 -4.614 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.315 -2.216 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.623 -2.764 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.988 -2.498 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.518 -3.769 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.116 -4.115 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.514 -5.449 2.000 1.00 0.00 H new ATOM 349 N ASN A 24 -5.738 -7.248 3.421 1.00 0.00 N ATOM 350 CA ASN A 24 -5.903 -8.638 3.012 1.00 0.00 C ATOM 351 C ASN A 24 -7.033 -8.783 1.997 1.00 0.00 C ATOM 352 O ASN A 24 -7.557 -9.879 1.790 1.00 0.00 O ATOM 353 CB ASN A 24 -6.201 -9.507 4.229 1.00 0.00 C ATOM 354 CG ASN A 24 -5.484 -10.841 4.180 1.00 0.00 C ATOM 355 OD1 ASN A 24 -4.285 -10.907 3.911 1.00 0.00 O ATOM 356 ND2 ASN A 24 -6.219 -11.916 4.439 1.00 0.00 N ATOM 0 H ASN A 24 -6.598 -6.796 3.732 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.973 -8.964 2.545 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.907 -8.973 5.133 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.275 -9.678 4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.792 -12.842 4.419 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.210 -11.816 4.658 1.00 0.00 H new ATOM 363 N VAL A 25 -7.407 -7.674 1.372 1.00 0.00 N ATOM 364 CA VAL A 25 -8.475 -7.674 0.382 1.00 0.00 C ATOM 365 C VAL A 25 -9.814 -8.023 1.026 1.00 0.00 C ATOM 366 O VAL A 25 -10.026 -9.151 1.472 1.00 0.00 O ATOM 367 CB VAL A 25 -8.175 -8.667 -0.757 1.00 0.00 C ATOM 368 CG1 VAL A 25 -9.337 -8.741 -1.738 1.00 0.00 C ATOM 369 CG2 VAL A 25 -6.891 -8.280 -1.474 1.00 0.00 C ATOM 0 H VAL A 25 -6.984 -6.760 1.534 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.533 -6.669 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.043 -9.656 -0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.099 -9.449 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.234 -9.071 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.511 -7.756 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.693 -8.992 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.996 -7.280 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.062 -8.291 -0.767 1.00 0.00 H new ATOM 379 N GLY A 26 -10.715 -7.046 1.071 1.00 0.00 N ATOM 380 CA GLY A 26 -12.021 -7.266 1.663 1.00 0.00 C ATOM 381 C GLY A 26 -12.362 -6.231 2.717 1.00 0.00 C ATOM 382 O GLY A 26 -13.532 -6.021 3.036 1.00 0.00 O ATOM 0 H GLY A 26 -10.563 -6.105 0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.779 -7.246 0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.051 -8.259 2.111 1.00 0.00 H new ATOM 386 N ASP A 27 -11.336 -5.583 3.259 1.00 0.00 N ATOM 387 CA ASP A 27 -11.529 -4.563 4.283 1.00 0.00 C ATOM 388 C ASP A 27 -11.906 -3.225 3.656 1.00 0.00 C ATOM 389 O ASP A 27 -11.468 -2.901 2.551 1.00 0.00 O ATOM 390 CB ASP A 27 -10.259 -4.406 5.120 1.00 0.00 C ATOM 391 CG ASP A 27 -10.557 -4.042 6.562 1.00 0.00 C ATOM 392 OD1 ASP A 27 -10.824 -2.852 6.830 1.00 0.00 O ATOM 393 OD2 ASP A 27 -10.522 -4.946 7.422 1.00 0.00 O ATOM 0 H ASP A 27 -10.362 -5.746 3.006 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.346 -4.883 4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.692 -5.337 5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.628 -3.636 4.677 1.00 0.00 H new ATOM 398 N THR A 28 -12.717 -2.450 4.369 1.00 0.00 N ATOM 399 CA THR A 28 -13.150 -1.145 3.882 1.00 0.00 C ATOM 400 C THR A 28 -12.000 -0.145 3.923 1.00 0.00 C ATOM 401 O THR A 28 -11.054 -0.304 4.696 1.00 0.00 O ATOM 402 CB THR A 28 -14.322 -0.628 4.718 1.00 0.00 C ATOM 403 OG1 THR A 28 -15.447 -1.477 4.583 1.00 0.00 O ATOM 404 CG2 THR A 28 -14.755 0.771 4.340 1.00 0.00 C ATOM 0 H THR A 28 -13.087 -2.703 5.285 1.00 0.00 H new ATOM 0 HA THR A 28 -13.475 -1.258 2.848 1.00 0.00 H new ATOM 0 HB THR A 28 -13.959 -0.613 5.746 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.185 -1.131 5.126 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.590 1.077 4.971 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.922 1.460 4.481 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.066 0.786 3.295 1.00 0.00 H new ATOM 412 N ILE A 29 -12.086 0.883 3.088 1.00 0.00 N ATOM 413 CA ILE A 29 -11.050 1.907 3.030 1.00 0.00 C ATOM 414 C ILE A 29 -11.649 3.283 2.767 1.00 0.00 C ATOM 415 O ILE A 29 -12.624 3.416 2.028 1.00 0.00 O ATOM 416 CB ILE A 29 -10.012 1.596 1.937 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.695 1.482 0.574 1.00 0.00 C ATOM 418 CG2 ILE A 29 -9.256 0.317 2.269 1.00 0.00 C ATOM 419 CD1 ILE A 29 -10.395 2.644 -0.343 1.00 0.00 C ATOM 0 H ILE A 29 -12.862 1.030 2.442 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.555 1.909 4.001 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.294 2.415 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.378 0.557 0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.773 1.412 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.526 0.112 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.741 0.436 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.958 -0.514 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.910 2.500 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.737 3.570 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.321 2.701 -0.518 1.00 0.00 H new ATOM 431 N ALA A 30 -11.057 4.305 3.375 1.00 0.00 N ATOM 432 CA ALA A 30 -11.532 5.673 3.205 1.00 0.00 C ATOM 433 C ALA A 30 -10.449 6.559 2.601 1.00 0.00 C ATOM 434 O ALA A 30 -9.350 6.095 2.292 1.00 0.00 O ATOM 435 CB ALA A 30 -11.999 6.239 4.537 1.00 0.00 C ATOM 0 H ALA A 30 -10.248 4.212 3.989 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.376 5.655 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.351 7.261 4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.812 5.626 4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.170 6.236 5.244 1.00 0.00 H new ATOM 441 N VAL A 31 -10.769 7.835 2.420 1.00 0.00 N ATOM 442 CA VAL A 31 -9.824 8.785 1.843 1.00 0.00 C ATOM 443 C VAL A 31 -8.913 9.380 2.913 1.00 0.00 C ATOM 444 O VAL A 31 -8.732 10.596 2.980 1.00 0.00 O ATOM 445 CB VAL A 31 -10.554 9.926 1.113 1.00 0.00 C ATOM 446 CG1 VAL A 31 -9.586 10.710 0.241 1.00 0.00 C ATOM 447 CG2 VAL A 31 -11.706 9.376 0.284 1.00 0.00 C ATOM 0 H VAL A 31 -11.675 8.236 2.664 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.218 8.231 1.126 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.964 10.607 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.122 11.512 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.799 11.136 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.143 10.044 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.212 10.196 -0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.320 8.673 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.413 8.864 0.937 1.00 0.00 H new ATOM 457 N ASP A 32 -8.339 8.513 3.749 1.00 0.00 N ATOM 458 CA ASP A 32 -7.441 8.944 4.820 1.00 0.00 C ATOM 459 C ASP A 32 -7.258 7.829 5.846 1.00 0.00 C ATOM 460 O ASP A 32 -7.799 7.896 6.949 1.00 0.00 O ATOM 461 CB ASP A 32 -7.981 10.198 5.516 1.00 0.00 C ATOM 462 CG ASP A 32 -9.488 10.167 5.680 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.041 9.063 5.863 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.114 11.246 5.625 1.00 0.00 O ATOM 0 H ASP A 32 -8.481 7.504 3.704 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.476 9.180 4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.514 10.295 6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.699 11.079 4.940 1.00 0.00 H new ATOM 469 N ASP A 33 -6.493 6.805 5.477 1.00 0.00 N ATOM 470 CA ASP A 33 -6.245 5.680 6.371 1.00 0.00 C ATOM 471 C ASP A 33 -4.938 4.986 6.015 1.00 0.00 C ATOM 472 O ASP A 33 -4.800 4.422 4.930 1.00 0.00 O ATOM 473 CB ASP A 33 -7.401 4.680 6.305 1.00 0.00 C ATOM 474 CG ASP A 33 -7.636 4.160 4.900 1.00 0.00 C ATOM 475 OD1 ASP A 33 -8.178 4.918 4.069 1.00 0.00 O ATOM 476 OD2 ASP A 33 -7.280 2.993 4.633 1.00 0.00 O ATOM 0 H ASP A 33 -6.036 6.732 4.568 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.169 6.066 7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.191 3.842 6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.311 5.156 6.670 1.00 0.00 H new ATOM 481 N THR A 34 -3.977 5.034 6.930 1.00 0.00 N ATOM 482 CA THR A 34 -2.683 4.411 6.696 1.00 0.00 C ATOM 483 C THR A 34 -2.834 2.969 6.234 1.00 0.00 C ATOM 484 O THR A 34 -3.344 2.117 6.962 1.00 0.00 O ATOM 485 CB THR A 34 -1.817 4.464 7.944 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.607 4.618 9.109 1.00 0.00 O ATOM 487 CG2 THR A 34 -0.802 5.587 7.914 1.00 0.00 C ATOM 0 H THR A 34 -4.070 5.495 7.835 1.00 0.00 H new ATOM 0 HA THR A 34 -2.194 4.977 5.903 1.00 0.00 H new ATOM 0 HB THR A 34 -1.284 3.513 7.965 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.025 4.647 9.897 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.215 5.572 8.832 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.140 5.456 7.058 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.319 6.543 7.830 1.00 0.00 H new ATOM 495 N LEU A 35 -2.371 2.705 5.020 1.00 0.00 N ATOM 496 CA LEU A 35 -2.429 1.371 4.446 1.00 0.00 C ATOM 497 C LEU A 35 -1.193 0.579 4.844 1.00 0.00 C ATOM 498 O LEU A 35 -1.287 -0.587 5.226 1.00 0.00 O ATOM 499 CB LEU A 35 -2.538 1.449 2.921 1.00 0.00 C ATOM 500 CG LEU A 35 -3.954 1.658 2.383 1.00 0.00 C ATOM 501 CD1 LEU A 35 -3.965 1.590 0.864 1.00 0.00 C ATOM 502 CD2 LEU A 35 -4.905 0.626 2.971 1.00 0.00 C ATOM 0 H LEU A 35 -1.948 3.405 4.410 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.314 0.864 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.908 2.265 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.136 0.529 2.496 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.293 2.649 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.981 1.741 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.316 2.367 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.606 0.613 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.908 0.790 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.568 -0.375 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.921 0.723 4.057 1.00 0.00 H new ATOM 514 N ILE A 36 -0.032 1.231 4.770 1.00 0.00 N ATOM 515 CA ILE A 36 1.224 0.590 5.145 1.00 0.00 C ATOM 516 C ILE A 36 2.298 1.610 5.497 1.00 0.00 C ATOM 517 O ILE A 36 2.081 2.819 5.422 1.00 0.00 O ATOM 518 CB ILE A 36 1.774 -0.338 4.031 1.00 0.00 C ATOM 519 CG1 ILE A 36 1.831 0.347 2.656 1.00 0.00 C ATOM 520 CG2 ILE A 36 0.935 -1.595 3.945 1.00 0.00 C ATOM 521 CD1 ILE A 36 2.217 1.813 2.681 1.00 0.00 C ATOM 0 H ILE A 36 0.062 2.197 4.456 1.00 0.00 H new ATOM 0 HA ILE A 36 0.989 -0.012 6.022 1.00 0.00 H new ATOM 0 HB ILE A 36 2.799 -0.589 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.544 -0.189 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.855 0.253 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.328 -2.242 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.969 -2.121 4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.096 -1.329 3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.229 2.204 1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.492 2.370 3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.208 1.921 3.122 1.00 0.00 H new ATOM 533 N THR A 37 3.465 1.097 5.847 1.00 0.00 N ATOM 534 CA THR A 37 4.611 1.923 6.176 1.00 0.00 C ATOM 535 C THR A 37 5.852 1.274 5.582 1.00 0.00 C ATOM 536 O THR A 37 6.187 0.137 5.914 1.00 0.00 O ATOM 537 CB THR A 37 4.745 2.088 7.690 1.00 0.00 C ATOM 538 OG1 THR A 37 3.604 2.732 8.226 1.00 0.00 O ATOM 539 CG2 THR A 37 5.959 2.895 8.098 1.00 0.00 C ATOM 0 H THR A 37 3.644 0.095 5.911 1.00 0.00 H new ATOM 0 HA THR A 37 4.484 2.921 5.757 1.00 0.00 H new ATOM 0 HB THR A 37 4.850 1.077 8.083 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.707 2.827 9.196 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.995 2.974 9.185 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.862 2.400 7.740 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.896 3.893 7.663 1.00 0.00 H new ATOM 547 N LEU A 38 6.502 1.976 4.664 1.00 0.00 N ATOM 548 CA LEU A 38 7.676 1.437 3.990 1.00 0.00 C ATOM 549 C LEU A 38 8.952 2.171 4.382 1.00 0.00 C ATOM 550 O LEU A 38 8.911 3.193 5.064 1.00 0.00 O ATOM 551 CB LEU A 38 7.472 1.513 2.480 1.00 0.00 C ATOM 552 CG LEU A 38 6.527 0.461 1.906 1.00 0.00 C ATOM 553 CD1 LEU A 38 5.087 0.937 2.001 1.00 0.00 C ATOM 554 CD2 LEU A 38 6.895 0.156 0.467 1.00 0.00 C ATOM 0 H LEU A 38 6.238 2.916 4.369 1.00 0.00 H new ATOM 0 HA LEU A 38 7.793 0.399 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.087 2.502 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.441 1.415 1.992 1.00 0.00 H new ATOM 0 HG LEU A 38 6.625 -0.455 2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.424 0.177 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.830 1.113 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.972 1.863 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.214 -0.596 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.820 1.066 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.917 -0.222 0.425 1.00 0.00 H new ATOM 566 N GLU A 39 10.087 1.633 3.942 1.00 0.00 N ATOM 567 CA GLU A 39 11.384 2.227 4.241 1.00 0.00 C ATOM 568 C GLU A 39 12.490 1.526 3.458 1.00 0.00 C ATOM 569 O GLU A 39 12.331 0.382 3.029 1.00 0.00 O ATOM 570 CB GLU A 39 11.668 2.144 5.743 1.00 0.00 C ATOM 571 CG GLU A 39 13.088 2.532 6.125 1.00 0.00 C ATOM 572 CD GLU A 39 13.387 2.285 7.590 1.00 0.00 C ATOM 573 OE1 GLU A 39 12.792 1.352 8.168 1.00 0.00 O ATOM 574 OE2 GLU A 39 14.215 3.026 8.160 1.00 0.00 O ATOM 0 H GLU A 39 10.133 0.785 3.376 1.00 0.00 H new ATOM 0 HA GLU A 39 11.361 3.275 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.970 2.794 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.476 1.126 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.792 1.966 5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.246 3.587 5.899 1.00 0.00 H new ATOM 581 N THR A 40 13.609 2.216 3.274 1.00 0.00 N ATOM 582 CA THR A 40 14.740 1.656 2.542 1.00 0.00 C ATOM 583 C THR A 40 16.046 1.874 3.306 1.00 0.00 C ATOM 584 O THR A 40 16.447 1.035 4.113 1.00 0.00 O ATOM 585 CB THR A 40 14.834 2.259 1.132 1.00 0.00 C ATOM 586 OG1 THR A 40 16.170 2.227 0.663 1.00 0.00 O ATOM 587 CG2 THR A 40 14.351 3.694 1.031 1.00 0.00 C ATOM 0 H THR A 40 13.758 3.163 3.621 1.00 0.00 H new ATOM 0 HA THR A 40 14.576 0.583 2.444 1.00 0.00 H new ATOM 0 HB THR A 40 14.175 1.639 0.524 1.00 0.00 H new ATOM 0 HG1 THR A 40 16.210 2.613 -0.237 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.452 4.041 0.003 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.304 3.748 1.330 1.00 0.00 H new ATOM 0 HG23 THR A 40 14.949 4.326 1.687 1.00 0.00 H new ATOM 595 N ASP A 41 16.703 3.001 3.052 1.00 0.00 N ATOM 596 CA ASP A 41 17.957 3.323 3.721 1.00 0.00 C ATOM 597 C ASP A 41 18.125 4.833 3.856 1.00 0.00 C ATOM 598 O ASP A 41 19.239 5.331 4.014 1.00 0.00 O ATOM 599 CB ASP A 41 19.139 2.734 2.949 1.00 0.00 C ATOM 600 CG ASP A 41 19.860 1.654 3.732 1.00 0.00 C ATOM 601 OD1 ASP A 41 19.185 0.905 4.469 1.00 0.00 O ATOM 602 OD2 ASP A 41 21.099 1.556 3.607 1.00 0.00 O ATOM 0 H ASP A 41 16.387 3.707 2.387 1.00 0.00 H new ATOM 0 HA ASP A 41 17.932 2.885 4.719 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.783 2.319 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.841 3.530 2.702 1.00 0.00 H new ATOM 607 N LYS A 42 17.010 5.557 3.791 1.00 0.00 N ATOM 608 CA LYS A 42 17.036 7.009 3.905 1.00 0.00 C ATOM 609 C LYS A 42 15.941 7.503 4.846 1.00 0.00 C ATOM 610 O LYS A 42 16.175 8.381 5.677 1.00 0.00 O ATOM 611 CB LYS A 42 16.870 7.653 2.527 1.00 0.00 C ATOM 612 CG LYS A 42 17.728 8.892 2.327 1.00 0.00 C ATOM 613 CD LYS A 42 18.509 8.823 1.025 1.00 0.00 C ATOM 614 CE LYS A 42 18.707 10.202 0.420 1.00 0.00 C ATOM 615 NZ LYS A 42 18.554 10.186 -1.061 1.00 0.00 N ATOM 0 H LYS A 42 16.079 5.160 3.660 1.00 0.00 H new ATOM 0 HA LYS A 42 18.002 7.298 4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.121 6.920 1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.823 7.919 2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.094 9.779 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.420 8.996 3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.480 8.361 1.206 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.980 8.186 0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.985 10.895 0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.699 10.573 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.697 11.146 -1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.259 9.544 -1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.599 9.857 -1.308 1.00 0.00 H new ATOM 629 N ALA A 43 14.747 6.936 4.708 1.00 0.00 N ATOM 630 CA ALA A 43 13.619 7.324 5.547 1.00 0.00 C ATOM 631 C ALA A 43 12.507 6.282 5.499 1.00 0.00 C ATOM 632 O ALA A 43 12.529 5.371 4.671 1.00 0.00 O ATOM 633 CB ALA A 43 13.085 8.679 5.111 1.00 0.00 C ATOM 0 H ALA A 43 14.536 6.208 4.025 1.00 0.00 H new ATOM 0 HA ALA A 43 13.973 7.391 6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.243 8.959 5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.872 9.427 5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.756 8.624 4.073 1.00 0.00 H new ATOM 639 N THR A 44 11.531 6.431 6.390 1.00 0.00 N ATOM 640 CA THR A 44 10.401 5.511 6.450 1.00 0.00 C ATOM 641 C THR A 44 9.133 6.189 5.942 1.00 0.00 C ATOM 642 O THR A 44 8.657 7.157 6.535 1.00 0.00 O ATOM 643 CB THR A 44 10.189 5.017 7.881 1.00 0.00 C ATOM 644 OG1 THR A 44 9.976 6.107 8.762 1.00 0.00 O ATOM 645 CG2 THR A 44 11.352 4.214 8.416 1.00 0.00 C ATOM 0 H THR A 44 11.500 7.181 7.081 1.00 0.00 H new ATOM 0 HA THR A 44 10.623 4.656 5.811 1.00 0.00 H new ATOM 0 HB THR A 44 9.313 4.369 7.836 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.364 6.749 8.346 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.135 3.895 9.435 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.509 3.338 7.787 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.252 4.829 8.412 1.00 0.00 H new ATOM 653 N MET A 45 8.594 5.680 4.841 1.00 0.00 N ATOM 654 CA MET A 45 7.385 6.246 4.255 1.00 0.00 C ATOM 655 C MET A 45 6.154 5.421 4.607 1.00 0.00 C ATOM 656 O MET A 45 6.230 4.456 5.368 1.00 0.00 O ATOM 657 CB MET A 45 7.526 6.341 2.736 1.00 0.00 C ATOM 658 CG MET A 45 7.298 7.743 2.194 1.00 0.00 C ATOM 659 SD MET A 45 8.466 8.942 2.866 1.00 0.00 S ATOM 660 CE MET A 45 8.104 10.374 1.853 1.00 0.00 C ATOM 0 H MET A 45 8.974 4.879 4.337 1.00 0.00 H new ATOM 0 HA MET A 45 7.255 7.245 4.670 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.523 6.007 2.450 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.815 5.659 2.269 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.383 7.727 1.107 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.282 8.059 2.429 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.960 10.594 1.215 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.232 10.169 1.232 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.899 11.231 2.495 1.00 0.00 H new ATOM 670 N ASP A 46 5.017 5.815 4.043 1.00 0.00 N ATOM 671 CA ASP A 46 3.755 5.128 4.281 1.00 0.00 C ATOM 672 C ASP A 46 2.669 5.691 3.373 1.00 0.00 C ATOM 673 O ASP A 46 2.868 6.711 2.713 1.00 0.00 O ATOM 674 CB ASP A 46 3.340 5.276 5.746 1.00 0.00 C ATOM 675 CG ASP A 46 3.451 6.706 6.237 1.00 0.00 C ATOM 676 OD1 ASP A 46 2.511 7.491 5.996 1.00 0.00 O ATOM 677 OD2 ASP A 46 4.481 7.041 6.859 1.00 0.00 O ATOM 0 H ASP A 46 4.945 6.614 3.413 1.00 0.00 H new ATOM 0 HA ASP A 46 3.888 4.069 4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.313 4.932 5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.966 4.633 6.365 1.00 0.00 H new ATOM 682 N VAL A 47 1.518 5.029 3.342 1.00 0.00 N ATOM 683 CA VAL A 47 0.410 5.482 2.512 1.00 0.00 C ATOM 684 C VAL A 47 -0.859 5.638 3.341 1.00 0.00 C ATOM 685 O VAL A 47 -1.287 4.693 3.997 1.00 0.00 O ATOM 686 CB VAL A 47 0.132 4.503 1.352 1.00 0.00 C ATOM 687 CG1 VAL A 47 -1.089 4.945 0.551 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.354 4.382 0.452 1.00 0.00 C ATOM 0 H VAL A 47 1.329 4.182 3.879 1.00 0.00 H new ATOM 0 HA VAL A 47 0.699 6.448 2.097 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.080 3.521 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.266 4.240 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.962 4.973 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.913 5.938 0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.140 3.688 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.600 5.360 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.199 4.011 1.033 1.00 0.00 H new ATOM 698 N PRO A 48 -1.479 6.834 3.322 1.00 0.00 N ATOM 699 CA PRO A 48 -2.701 7.107 4.071 1.00 0.00 C ATOM 700 C PRO A 48 -3.964 6.771 3.281 1.00 0.00 C ATOM 701 O PRO A 48 -5.021 7.359 3.506 1.00 0.00 O ATOM 702 CB PRO A 48 -2.604 8.609 4.307 1.00 0.00 C ATOM 703 CG PRO A 48 -1.923 9.134 3.084 1.00 0.00 C ATOM 704 CD PRO A 48 -1.037 8.022 2.566 1.00 0.00 C ATOM 0 HA PRO A 48 -2.778 6.508 4.978 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.590 9.056 4.435 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.032 8.834 5.208 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.654 9.429 2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.334 10.020 3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.160 7.881 1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.017 8.237 2.741 1.00 0.00 H new ATOM 712 N ALA A 49 -3.848 5.825 2.354 1.00 0.00 N ATOM 713 CA ALA A 49 -4.980 5.414 1.532 1.00 0.00 C ATOM 714 C ALA A 49 -5.533 6.584 0.726 1.00 0.00 C ATOM 715 O ALA A 49 -5.462 7.737 1.153 1.00 0.00 O ATOM 716 CB ALA A 49 -6.073 4.810 2.403 1.00 0.00 C ATOM 0 H ALA A 49 -2.980 5.328 2.153 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.628 4.659 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.912 4.508 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.680 3.940 2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.410 5.550 3.129 1.00 0.00 H new ATOM 722 N GLU A 50 -6.088 6.278 -0.441 1.00 0.00 N ATOM 723 CA GLU A 50 -6.662 7.301 -1.309 1.00 0.00 C ATOM 724 C GLU A 50 -7.819 6.728 -2.114 1.00 0.00 C ATOM 725 O GLU A 50 -7.712 6.530 -3.324 1.00 0.00 O ATOM 726 CB GLU A 50 -5.596 7.868 -2.248 1.00 0.00 C ATOM 727 CG GLU A 50 -6.039 9.126 -2.979 1.00 0.00 C ATOM 728 CD GLU A 50 -5.176 9.435 -4.186 1.00 0.00 C ATOM 729 OE1 GLU A 50 -4.110 8.799 -4.332 1.00 0.00 O ATOM 730 OE2 GLU A 50 -5.565 10.313 -4.985 1.00 0.00 O ATOM 0 H GLU A 50 -6.153 5.329 -0.809 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.039 8.109 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.697 8.089 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.327 7.107 -2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.075 9.010 -3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.010 9.971 -2.291 1.00 0.00 H new ATOM 737 N VAL A 51 -8.922 6.451 -1.427 1.00 0.00 N ATOM 738 CA VAL A 51 -10.103 5.885 -2.069 1.00 0.00 C ATOM 739 C VAL A 51 -11.226 5.709 -1.058 1.00 0.00 C ATOM 740 O VAL A 51 -11.075 6.056 0.107 1.00 0.00 O ATOM 741 CB VAL A 51 -9.802 4.522 -2.738 1.00 0.00 C ATOM 742 CG1 VAL A 51 -9.718 4.684 -4.247 1.00 0.00 C ATOM 743 CG2 VAL A 51 -8.518 3.899 -2.193 1.00 0.00 C ATOM 0 H VAL A 51 -9.023 6.609 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.410 6.587 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.622 3.845 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.506 3.718 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.667 5.065 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.921 5.386 -4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.339 2.943 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.679 4.568 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.618 3.740 -1.119 1.00 0.00 H new ATOM 753 N ALA A 52 -12.354 5.179 -1.506 1.00 0.00 N ATOM 754 CA ALA A 52 -13.494 4.978 -0.618 1.00 0.00 C ATOM 755 C ALA A 52 -14.314 3.762 -1.017 1.00 0.00 C ATOM 756 O ALA A 52 -15.457 3.888 -1.450 1.00 0.00 O ATOM 757 CB ALA A 52 -14.374 6.206 -0.618 1.00 0.00 C ATOM 0 H ALA A 52 -12.506 4.882 -2.470 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.102 4.805 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.222 6.046 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.799 7.066 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.737 6.394 -1.629 1.00 0.00 H new ATOM 763 N GLY A 53 -13.733 2.588 -0.861 1.00 0.00 N ATOM 764 CA GLY A 53 -14.438 1.371 -1.211 1.00 0.00 C ATOM 765 C GLY A 53 -13.868 0.138 -0.537 1.00 0.00 C ATOM 766 O GLY A 53 -13.590 0.148 0.662 1.00 0.00 O ATOM 0 H GLY A 53 -12.789 2.452 -0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.488 1.475 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.403 1.236 -2.292 1.00 0.00 H new ATOM 770 N VAL A 54 -13.704 -0.929 -1.311 1.00 0.00 N ATOM 771 CA VAL A 54 -13.176 -2.186 -0.790 1.00 0.00 C ATOM 772 C VAL A 54 -11.978 -2.661 -1.606 1.00 0.00 C ATOM 773 O VAL A 54 -11.939 -2.484 -2.822 1.00 0.00 O ATOM 774 CB VAL A 54 -14.259 -3.282 -0.805 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.697 -4.609 -0.313 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.456 -2.860 0.034 1.00 0.00 C ATOM 0 H VAL A 54 -13.930 -0.949 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.858 -2.002 0.236 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.591 -3.418 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.481 -5.366 -0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.877 -4.919 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.331 -4.493 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.211 -3.646 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.138 -2.691 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.878 -1.940 -0.371 1.00 0.00 H new ATOM 786 N VAL A 55 -11.004 -3.272 -0.932 1.00 0.00 N ATOM 787 CA VAL A 55 -9.816 -3.774 -1.610 1.00 0.00 C ATOM 788 C VAL A 55 -10.109 -5.070 -2.352 1.00 0.00 C ATOM 789 O VAL A 55 -10.905 -5.895 -1.903 1.00 0.00 O ATOM 790 CB VAL A 55 -8.644 -4.015 -0.636 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.430 -4.572 -1.381 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.284 -2.728 0.091 1.00 0.00 C ATOM 0 H VAL A 55 -11.016 -3.429 0.076 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.526 -3.000 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.957 -4.752 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.614 -4.735 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.696 -5.517 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.114 -3.861 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.456 -2.916 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.991 -1.970 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.147 -2.375 0.656 1.00 0.00 H new ATOM 802 N LYS A 56 -9.442 -5.242 -3.481 1.00 0.00 N ATOM 803 CA LYS A 56 -9.598 -6.438 -4.296 1.00 0.00 C ATOM 804 C LYS A 56 -8.292 -7.200 -4.332 1.00 0.00 C ATOM 805 O LYS A 56 -8.258 -8.419 -4.158 1.00 0.00 O ATOM 806 CB LYS A 56 -10.004 -6.093 -5.735 1.00 0.00 C ATOM 807 CG LYS A 56 -10.254 -4.612 -5.986 1.00 0.00 C ATOM 808 CD LYS A 56 -11.593 -4.168 -5.418 1.00 0.00 C ATOM 809 CE LYS A 56 -12.754 -4.764 -6.196 1.00 0.00 C ATOM 810 NZ LYS A 56 -13.405 -5.878 -5.455 1.00 0.00 N ATOM 0 H LYS A 56 -8.781 -4.562 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.386 -7.043 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.221 -6.435 -6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.908 -6.648 -5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.454 -4.025 -5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.229 -4.414 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.663 -4.467 -4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.657 -3.080 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.490 -3.987 -6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.397 -5.129 -7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.771 -6.578 -6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.709 -6.332 -4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.190 -5.504 -4.885 1.00 0.00 H new ATOM 824 N GLU A 57 -7.215 -6.468 -4.575 1.00 0.00 N ATOM 825 CA GLU A 57 -5.905 -7.070 -4.652 1.00 0.00 C ATOM 826 C GLU A 57 -5.017 -6.625 -3.496 1.00 0.00 C ATOM 827 O GLU A 57 -5.402 -5.782 -2.686 1.00 0.00 O ATOM 828 CB GLU A 57 -5.240 -6.732 -5.987 1.00 0.00 C ATOM 829 CG GLU A 57 -5.495 -7.763 -7.073 1.00 0.00 C ATOM 830 CD GLU A 57 -4.346 -8.740 -7.232 1.00 0.00 C ATOM 831 OE1 GLU A 57 -3.706 -9.074 -6.213 1.00 0.00 O ATOM 832 OE2 GLU A 57 -4.086 -9.170 -8.375 1.00 0.00 O ATOM 0 H GLU A 57 -7.229 -5.459 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.033 -8.150 -4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.601 -5.761 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.165 -6.637 -5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.406 -8.314 -6.839 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.666 -7.252 -8.021 1.00 0.00 H new ATOM 839 N VAL A 58 -3.824 -7.204 -3.430 1.00 0.00 N ATOM 840 CA VAL A 58 -2.865 -6.883 -2.380 1.00 0.00 C ATOM 841 C VAL A 58 -1.481 -7.404 -2.742 1.00 0.00 C ATOM 842 O VAL A 58 -1.288 -8.604 -2.933 1.00 0.00 O ATOM 843 CB VAL A 58 -3.291 -7.485 -1.030 1.00 0.00 C ATOM 844 CG1 VAL A 58 -3.389 -8.997 -1.134 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.317 -7.080 0.065 1.00 0.00 C ATOM 0 H VAL A 58 -3.496 -7.903 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.836 -5.797 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.275 -7.095 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.691 -9.409 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.128 -9.263 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.419 -9.406 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.634 -7.515 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.319 -7.441 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.299 -5.994 0.152 1.00 0.00 H new ATOM 855 N LYS A 59 -0.525 -6.492 -2.844 1.00 0.00 N ATOM 856 CA LYS A 59 0.842 -6.852 -3.197 1.00 0.00 C ATOM 857 C LYS A 59 1.832 -6.188 -2.250 1.00 0.00 C ATOM 858 O LYS A 59 2.606 -5.321 -2.652 1.00 0.00 O ATOM 859 CB LYS A 59 1.141 -6.436 -4.638 1.00 0.00 C ATOM 860 CG LYS A 59 -0.076 -6.493 -5.552 1.00 0.00 C ATOM 861 CD LYS A 59 0.258 -7.129 -6.891 1.00 0.00 C ATOM 862 CE LYS A 59 -0.726 -6.703 -7.969 1.00 0.00 C ATOM 863 NZ LYS A 59 -1.177 -7.857 -8.796 1.00 0.00 N ATOM 0 H LYS A 59 -0.671 -5.495 -2.687 1.00 0.00 H new ATOM 0 HA LYS A 59 0.947 -7.933 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.539 -5.421 -4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.919 -7.085 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.870 -7.061 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.458 -5.485 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.269 -6.848 -7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.245 -8.215 -6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.591 -6.229 -7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.260 -5.956 -8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.090 -7.616 -9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.586 -8.687 -8.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.170 -8.075 -8.576 1.00 0.00 H new ATOM 877 N VAL A 60 1.793 -6.595 -0.987 1.00 0.00 N ATOM 878 CA VAL A 60 2.678 -6.031 0.021 1.00 0.00 C ATOM 879 C VAL A 60 2.551 -6.794 1.339 1.00 0.00 C ATOM 880 O VAL A 60 1.537 -7.441 1.603 1.00 0.00 O ATOM 881 CB VAL A 60 2.385 -4.519 0.230 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.895 -4.236 0.092 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.907 -4.010 1.572 1.00 0.00 C ATOM 0 H VAL A 60 1.158 -7.313 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 60 3.704 -6.131 -0.334 1.00 0.00 H new ATOM 0 HB VAL A 60 2.920 -3.977 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.711 -3.172 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.560 -4.525 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.345 -4.808 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.679 -2.949 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.429 -4.562 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.986 -4.155 1.621 1.00 0.00 H new ATOM 893 N LYS A 61 3.592 -6.711 2.158 1.00 0.00 N ATOM 894 CA LYS A 61 3.611 -7.390 3.449 1.00 0.00 C ATOM 895 C LYS A 61 4.817 -6.950 4.273 1.00 0.00 C ATOM 896 O LYS A 61 5.401 -5.896 4.021 1.00 0.00 O ATOM 897 CB LYS A 61 3.639 -8.907 3.249 1.00 0.00 C ATOM 898 CG LYS A 61 2.808 -9.668 4.269 1.00 0.00 C ATOM 899 CD LYS A 61 1.425 -9.991 3.730 1.00 0.00 C ATOM 900 CE LYS A 61 1.482 -11.064 2.655 1.00 0.00 C ATOM 901 NZ LYS A 61 0.148 -11.680 2.413 1.00 0.00 N ATOM 0 H LYS A 61 4.437 -6.179 1.951 1.00 0.00 H new ATOM 0 HA LYS A 61 2.705 -7.120 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.275 -9.140 2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.671 -9.254 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.319 -10.592 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.716 -9.076 5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.785 -10.326 4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.973 -9.088 3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.855 -10.629 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.190 -11.837 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.230 -12.406 1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.197 -12.118 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.522 -10.947 2.105 1.00 0.00 H new ATOM 915 N VAL A 62 5.186 -7.761 5.259 1.00 0.00 N ATOM 916 CA VAL A 62 6.322 -7.449 6.118 1.00 0.00 C ATOM 917 C VAL A 62 7.471 -8.425 5.887 1.00 0.00 C ATOM 918 O VAL A 62 7.496 -9.515 6.459 1.00 0.00 O ATOM 919 CB VAL A 62 5.924 -7.482 7.606 1.00 0.00 C ATOM 920 CG1 VAL A 62 7.117 -7.148 8.488 1.00 0.00 C ATOM 921 CG2 VAL A 62 4.773 -6.525 7.870 1.00 0.00 C ATOM 0 H VAL A 62 4.716 -8.638 5.483 1.00 0.00 H new ATOM 0 HA VAL A 62 6.649 -6.442 5.859 1.00 0.00 H new ATOM 0 HB VAL A 62 5.593 -8.491 7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.815 -7.177 9.535 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.910 -7.877 8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.483 -6.151 8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.505 -6.561 8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.075 -5.511 7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.913 -6.815 7.267 1.00 0.00 H new ATOM 931 N GLY A 63 8.422 -8.027 5.046 1.00 0.00 N ATOM 932 CA GLY A 63 9.560 -8.879 4.757 1.00 0.00 C ATOM 933 C GLY A 63 9.926 -8.894 3.284 1.00 0.00 C ATOM 934 O GLY A 63 11.017 -9.326 2.915 1.00 0.00 O ATOM 0 H GLY A 63 8.424 -7.130 4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.419 -8.539 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.338 -9.896 5.082 1.00 0.00 H new ATOM 938 N ASP A 64 9.012 -8.424 2.438 1.00 0.00 N ATOM 939 CA ASP A 64 9.250 -8.391 1.000 1.00 0.00 C ATOM 940 C ASP A 64 9.746 -7.017 0.558 1.00 0.00 C ATOM 941 O ASP A 64 9.616 -6.035 1.289 1.00 0.00 O ATOM 942 CB ASP A 64 7.970 -8.751 0.242 1.00 0.00 C ATOM 943 CG ASP A 64 6.755 -8.020 0.779 1.00 0.00 C ATOM 944 OD1 ASP A 64 6.397 -8.245 1.953 1.00 0.00 O ATOM 945 OD2 ASP A 64 6.161 -7.223 0.022 1.00 0.00 O ATOM 0 H ASP A 64 8.102 -8.062 2.724 1.00 0.00 H new ATOM 0 HA ASP A 64 10.021 -9.126 0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.097 -8.512 -0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.802 -9.826 0.308 1.00 0.00 H new ATOM 950 N LYS A 65 10.309 -6.956 -0.646 1.00 0.00 N ATOM 951 CA LYS A 65 10.819 -5.701 -1.191 1.00 0.00 C ATOM 952 C LYS A 65 9.833 -5.109 -2.192 1.00 0.00 C ATOM 953 O LYS A 65 9.105 -5.837 -2.866 1.00 0.00 O ATOM 954 CB LYS A 65 12.190 -5.902 -1.854 1.00 0.00 C ATOM 955 CG LYS A 65 12.450 -7.321 -2.338 1.00 0.00 C ATOM 956 CD LYS A 65 11.497 -7.708 -3.455 1.00 0.00 C ATOM 957 CE LYS A 65 12.248 -8.070 -4.727 1.00 0.00 C ATOM 958 NZ LYS A 65 12.249 -9.539 -4.973 1.00 0.00 N ATOM 0 H LYS A 65 10.424 -7.761 -1.262 1.00 0.00 H new ATOM 0 HA LYS A 65 10.939 -5.003 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.274 -5.221 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.968 -5.625 -1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.478 -7.405 -2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.340 -8.017 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.887 -8.554 -3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.815 -6.881 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.792 -7.560 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.275 -7.713 -4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.771 -9.744 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.707 -10.024 -4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.270 -9.876 -5.067 1.00 0.00 H new ATOM 972 N ILE A 66 9.803 -3.783 -2.273 1.00 0.00 N ATOM 973 CA ILE A 66 8.894 -3.096 -3.176 1.00 0.00 C ATOM 974 C ILE A 66 9.584 -1.921 -3.881 1.00 0.00 C ATOM 975 O ILE A 66 10.733 -1.597 -3.587 1.00 0.00 O ATOM 976 CB ILE A 66 7.620 -2.642 -2.406 1.00 0.00 C ATOM 977 CG1 ILE A 66 6.379 -3.055 -3.187 1.00 0.00 C ATOM 978 CG2 ILE A 66 7.597 -1.146 -2.092 1.00 0.00 C ATOM 979 CD1 ILE A 66 6.261 -4.553 -3.324 1.00 0.00 C ATOM 0 H ILE A 66 10.399 -3.165 -1.723 1.00 0.00 H new ATOM 0 HA ILE A 66 8.589 -3.792 -3.957 1.00 0.00 H new ATOM 0 HB ILE A 66 7.633 -3.144 -1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.492 -2.667 -2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.409 -2.603 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.681 -0.901 -1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.459 -0.890 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.635 -0.578 -3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.361 -4.797 -3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.134 -4.940 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.203 -5.005 -2.334 1.00 0.00 H new ATOM 991 N SER A 67 8.873 -1.288 -4.812 1.00 0.00 N ATOM 992 CA SER A 67 9.423 -0.154 -5.549 1.00 0.00 C ATOM 993 C SER A 67 8.355 0.906 -5.813 1.00 0.00 C ATOM 994 O SER A 67 7.219 0.584 -6.160 1.00 0.00 O ATOM 995 CB SER A 67 10.025 -0.627 -6.874 1.00 0.00 C ATOM 996 OG SER A 67 10.848 -1.764 -6.682 1.00 0.00 O ATOM 0 H SER A 67 7.920 -1.540 -5.072 1.00 0.00 H new ATOM 0 HA SER A 67 10.205 0.295 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.226 -0.867 -7.575 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.609 0.178 -7.320 1.00 0.00 H new ATOM 0 HG SER A 67 10.959 -2.235 -7.534 1.00 0.00 H new ATOM 1002 N GLU A 68 8.736 2.174 -5.651 1.00 0.00 N ATOM 1003 CA GLU A 68 7.829 3.302 -5.874 1.00 0.00 C ATOM 1004 C GLU A 68 6.937 3.066 -7.092 1.00 0.00 C ATOM 1005 O GLU A 68 7.424 2.969 -8.219 1.00 0.00 O ATOM 1006 CB GLU A 68 8.631 4.591 -6.060 1.00 0.00 C ATOM 1007 CG GLU A 68 9.522 4.927 -4.876 1.00 0.00 C ATOM 1008 CD GLU A 68 10.328 6.192 -5.093 1.00 0.00 C ATOM 1009 OE1 GLU A 68 10.332 6.706 -6.232 1.00 0.00 O ATOM 1010 OE2 GLU A 68 10.956 6.671 -4.125 1.00 0.00 O ATOM 0 H GLU A 68 9.676 2.447 -5.363 1.00 0.00 H new ATOM 0 HA GLU A 68 7.188 3.396 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.248 4.500 -6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.941 5.417 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.906 5.042 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.201 4.095 -4.690 1.00 0.00 H new ATOM 1017 N GLY A 69 5.633 2.966 -6.857 1.00 0.00 N ATOM 1018 CA GLY A 69 4.701 2.734 -7.943 1.00 0.00 C ATOM 1019 C GLY A 69 4.824 1.336 -8.515 1.00 0.00 C ATOM 1020 O GLY A 69 5.362 1.151 -9.607 1.00 0.00 O ATOM 0 H GLY A 69 5.206 3.042 -5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.683 2.890 -7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.877 3.464 -8.733 1.00 0.00 H new ATOM 1024 N GLY A 70 4.325 0.348 -7.776 1.00 0.00 N ATOM 1025 CA GLY A 70 4.395 -1.026 -8.238 1.00 0.00 C ATOM 1026 C GLY A 70 3.109 -1.786 -7.989 1.00 0.00 C ATOM 1027 O GLY A 70 3.129 -2.995 -7.759 1.00 0.00 O ATOM 0 H GLY A 70 3.875 0.475 -6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.619 -1.037 -9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.217 -1.534 -7.734 1.00 0.00 H new ATOM 1031 N LEU A 71 1.988 -1.075 -8.034 1.00 0.00 N ATOM 1032 CA LEU A 71 0.683 -1.685 -7.809 1.00 0.00 C ATOM 1033 C LEU A 71 0.690 -2.539 -6.546 1.00 0.00 C ATOM 1034 O LEU A 71 1.083 -3.705 -6.573 1.00 0.00 O ATOM 1035 CB LEU A 71 0.280 -2.540 -9.011 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.145 -3.093 -8.958 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.123 -2.000 -8.554 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.535 -3.690 -10.302 1.00 0.00 C ATOM 0 H LEU A 71 1.957 -0.073 -8.225 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.044 -0.883 -7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.389 -1.943 -9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.976 -3.375 -9.094 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.182 -3.883 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.133 -2.409 -8.521 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.854 -1.617 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.084 -1.190 -9.282 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.552 -4.079 -10.246 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.483 -2.920 -11.071 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.850 -4.500 -10.553 1.00 0.00 H new ATOM 1050 N ILE A 72 0.253 -1.948 -5.440 1.00 0.00 N ATOM 1051 CA ILE A 72 0.210 -2.649 -4.168 1.00 0.00 C ATOM 1052 C ILE A 72 -1.181 -3.245 -3.926 1.00 0.00 C ATOM 1053 O ILE A 72 -1.375 -4.453 -4.046 1.00 0.00 O ATOM 1054 CB ILE A 72 0.643 -1.703 -3.007 1.00 0.00 C ATOM 1055 CG1 ILE A 72 2.137 -1.874 -2.736 1.00 0.00 C ATOM 1056 CG2 ILE A 72 -0.150 -1.937 -1.719 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.866 -0.565 -2.546 1.00 0.00 C ATOM 0 H ILE A 72 -0.076 -0.983 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 72 0.919 -3.476 -4.200 1.00 0.00 H new ATOM 0 HB ILE A 72 0.430 -0.683 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.269 -2.488 -1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.590 -2.416 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.197 -1.249 -0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.210 -1.766 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.003 -2.963 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.922 -0.760 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.764 0.042 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.439 -0.031 -1.697 1.00 0.00 H new ATOM 1069 N VAL A 73 -2.144 -2.396 -3.581 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.501 -2.859 -3.323 1.00 0.00 C ATOM 1071 C VAL A 73 -4.523 -2.122 -4.181 1.00 0.00 C ATOM 1072 O VAL A 73 -4.462 -0.905 -4.338 1.00 0.00 O ATOM 1073 CB VAL A 73 -3.883 -2.693 -1.838 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -2.887 -3.416 -0.945 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -3.974 -1.221 -1.469 1.00 0.00 C ATOM 0 H VAL A 73 -2.010 -1.390 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.517 -3.918 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.864 -3.141 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.174 -3.287 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.881 -4.478 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.891 -3.002 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.245 -1.126 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.010 -0.743 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.733 -0.738 -2.084 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.469 -2.872 -4.726 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.517 -2.302 -5.559 1.00 0.00 C ATOM 1087 C VAL A 74 -7.829 -2.250 -4.787 1.00 0.00 C ATOM 1088 O VAL A 74 -8.138 -3.162 -4.022 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.712 -3.130 -6.843 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -7.806 -2.534 -7.715 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.402 -3.234 -7.613 1.00 0.00 C ATOM 0 H VAL A 74 -5.532 -3.883 -4.605 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.215 -1.292 -5.836 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.024 -4.135 -6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.923 -3.138 -8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.745 -2.521 -7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.535 -1.516 -7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.557 -3.822 -8.517 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.059 -2.235 -7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.651 -3.719 -6.989 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.592 -1.178 -4.969 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.851 -1.027 -4.265 1.00 0.00 C ATOM 1103 C VAL A 75 -11.008 -0.729 -5.206 1.00 0.00 C ATOM 1104 O VAL A 75 -10.815 -0.476 -6.395 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.763 0.095 -3.223 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -8.681 -0.206 -2.197 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -9.510 1.430 -3.902 1.00 0.00 C ATOM 0 H VAL A 75 -8.359 -0.407 -5.595 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.042 -1.981 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.716 0.154 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.636 0.603 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.913 -1.141 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.718 -0.295 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -9.450 2.216 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.572 1.385 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.326 1.649 -4.590 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.216 -0.754 -4.650 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.423 -0.480 -5.416 1.00 0.00 C ATOM 1119 C GLU A 76 -13.670 1.022 -5.494 1.00 0.00 C ATOM 1120 O GLU A 76 -14.070 1.543 -6.534 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.626 -1.178 -4.772 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.489 -1.940 -5.762 1.00 0.00 C ATOM 1123 CD GLU A 76 -16.400 -1.029 -6.561 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -16.707 0.080 -6.074 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -16.809 -1.424 -7.673 1.00 0.00 O ATOM 0 H GLU A 76 -12.383 -0.963 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.290 -0.866 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.269 -1.868 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.240 -0.433 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.847 -2.496 -6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.093 -2.671 -5.225 1.00 0.00 H new ATOM 1132 N ALA A 77 -13.412 1.708 -4.382 1.00 0.00 N ATOM 1133 CA ALA A 77 -13.585 3.153 -4.297 1.00 0.00 C ATOM 1134 C ALA A 77 -15.010 3.586 -4.638 1.00 0.00 C ATOM 1135 O ALA A 77 -15.620 3.083 -5.580 1.00 0.00 O ATOM 1136 CB ALA A 77 -12.587 3.848 -5.199 1.00 0.00 C ATOM 0 H ALA A 77 -13.079 1.278 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.402 3.446 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.723 4.927 -5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.575 3.589 -4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.744 3.528 -6.229 1.00 0.00 H new