USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 GLN : amide:sc= 0.114 K(o=2.8,f=1.9) USER MOD Set 1.2: A 83 CYS SG : rot 31:sc= 1.22 USER MOD Set 1.3: A 85 TYR OH : rot 86:sc= 1.44 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 12 HIS : no HD1:sc= -0.0449 X(o=-0.045,f=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -101:sc= 0.154 USER MOD Single : A 22 CYS SG : rot 26:sc= 0.119 USER MOD Single : A 24 MET CE :methyl -160:sc= 0 (180deg=-0.155) USER MOD Single : A 27 CYS SG : rot 100:sc= -2.9! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -144:sc= 1.89 (180deg=-0.148) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.161 USER MOD Single : A 55 ASN : amide:sc= -0.947 K(o=-0.95,f=-6.1!) USER MOD Single : A 59 HIS : no HD1:sc= -0.0423 X(o=-0.042,f=0.00069) USER MOD Single : A 67 THR OG1 : rot 88:sc= -0.193 USER MOD Single : A 68 GLN : amide:sc= 0.115 X(o=0.11,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -43:sc= -3.55! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N VAL A 4 -11.613 -11.994 -2.667 1.00 54.02 N ATOM 51 CA VAL A 4 -10.280 -11.356 -2.525 1.00 32.44 C ATOM 52 C VAL A 4 -10.094 -10.729 -1.115 1.00 54.41 C ATOM 53 O VAL A 4 -10.852 -9.851 -0.693 1.00 61.04 O ATOM 54 CB VAL A 4 -10.037 -10.281 -3.651 1.00 23.44 C ATOM 55 CG1 VAL A 4 -11.170 -9.227 -3.712 1.00 45.24 C ATOM 56 CG2 VAL A 4 -8.643 -9.620 -3.495 1.00 21.44 C ATOM 0 HA VAL A 4 -9.533 -12.141 -2.641 1.00 32.44 H new ATOM 0 HB VAL A 4 -10.053 -10.804 -4.607 1.00 23.44 H new ATOM 0 HG11 VAL A 4 -10.956 -8.509 -4.503 1.00 45.24 H new ATOM 0 HG12 VAL A 4 -12.118 -9.723 -3.919 1.00 45.24 H new ATOM 0 HG13 VAL A 4 -11.234 -8.706 -2.757 1.00 45.24 H new ATOM 0 HG21 VAL A 4 -8.500 -8.882 -4.284 1.00 21.44 H new ATOM 0 HG22 VAL A 4 -8.580 -9.129 -2.524 1.00 21.44 H new ATOM 0 HG23 VAL A 4 -7.868 -10.383 -3.567 1.00 21.44 H new ATOM 66 N HIS A 5 -9.071 -11.208 -0.381 1.00 52.14 N ATOM 67 CA HIS A 5 -8.783 -10.771 1.007 1.00 71.11 C ATOM 68 C HIS A 5 -7.334 -10.274 1.179 1.00 63.22 C ATOM 69 O HIS A 5 -6.394 -10.916 0.722 1.00 15.23 O ATOM 70 CB HIS A 5 -9.090 -11.921 2.010 1.00 61.52 C ATOM 71 CG HIS A 5 -10.557 -12.069 2.340 1.00 13.23 C ATOM 72 ND1 HIS A 5 -11.052 -11.916 3.615 1.00 62.25 N ATOM 73 CD2 HIS A 5 -11.636 -12.328 1.556 1.00 62.40 C ATOM 74 CE1 HIS A 5 -12.355 -12.071 3.601 1.00 15.21 C ATOM 75 NE2 HIS A 5 -12.740 -12.320 2.368 1.00 43.50 N ATOM 0 H HIS A 5 -8.418 -11.910 -0.730 1.00 52.14 H new ATOM 0 HA HIS A 5 -9.436 -9.925 1.221 1.00 71.11 H new ATOM 0 HB2 HIS A 5 -8.724 -12.860 1.594 1.00 61.52 H new ATOM 0 HB3 HIS A 5 -8.536 -11.744 2.932 1.00 61.52 H new ATOM 0 HD2 HIS A 5 -11.626 -12.507 0.491 1.00 62.40 H new ATOM 0 HE1 HIS A 5 -13.005 -12.005 4.461 1.00 15.21 H new ATOM 0 HE2 HIS A 5 -13.701 -12.481 2.066 1.00 43.50 H new ATOM 84 N ILE A 6 -7.175 -9.119 1.855 1.00 52.41 N ATOM 85 CA ILE A 6 -5.850 -8.582 2.229 1.00 51.40 C ATOM 86 C ILE A 6 -5.320 -9.322 3.477 1.00 72.55 C ATOM 87 O ILE A 6 -5.934 -9.278 4.552 1.00 41.43 O ATOM 88 CB ILE A 6 -5.906 -7.035 2.501 1.00 50.33 C ATOM 89 CG1 ILE A 6 -6.417 -6.283 1.233 1.00 21.02 C ATOM 90 CG2 ILE A 6 -4.522 -6.486 2.953 1.00 23.13 C ATOM 91 CD1 ILE A 6 -6.546 -4.780 1.383 1.00 45.21 C ATOM 0 H ILE A 6 -7.955 -8.535 2.156 1.00 52.41 H new ATOM 0 HA ILE A 6 -5.172 -8.745 1.391 1.00 51.40 H new ATOM 0 HB ILE A 6 -6.607 -6.860 3.317 1.00 50.33 H new ATOM 0 HG12 ILE A 6 -5.737 -6.493 0.407 1.00 21.02 H new ATOM 0 HG13 ILE A 6 -7.390 -6.689 0.956 1.00 21.02 H new ATOM 0 HG21 ILE A 6 -4.597 -5.413 3.132 1.00 23.13 H new ATOM 0 HG22 ILE A 6 -4.214 -6.987 3.871 1.00 23.13 H new ATOM 0 HG23 ILE A 6 -3.784 -6.673 2.173 1.00 23.13 H new ATOM 0 HD11 ILE A 6 -6.908 -4.351 0.449 1.00 45.21 H new ATOM 0 HD12 ILE A 6 -7.251 -4.553 2.183 1.00 45.21 H new ATOM 0 HD13 ILE A 6 -5.573 -4.354 1.625 1.00 45.21 H new ATOM 103 N VAL A 7 -4.190 -10.016 3.309 1.00 1.13 N ATOM 104 CA VAL A 7 -3.535 -10.768 4.395 1.00 33.10 C ATOM 105 C VAL A 7 -2.685 -9.833 5.297 1.00 31.11 C ATOM 106 O VAL A 7 -2.691 -9.974 6.526 1.00 61.31 O ATOM 107 CB VAL A 7 -2.659 -11.947 3.812 1.00 31.12 C ATOM 108 CG1 VAL A 7 -3.559 -13.052 3.201 1.00 55.33 C ATOM 109 CG2 VAL A 7 -1.631 -11.441 2.760 1.00 65.24 C ATOM 0 H VAL A 7 -3.700 -10.075 2.417 1.00 1.13 H new ATOM 0 HA VAL A 7 -4.316 -11.203 5.018 1.00 33.10 H new ATOM 0 HB VAL A 7 -2.097 -12.372 4.644 1.00 31.12 H new ATOM 0 HG11 VAL A 7 -2.934 -13.853 2.806 1.00 55.33 H new ATOM 0 HG12 VAL A 7 -4.218 -13.452 3.972 1.00 55.33 H new ATOM 0 HG13 VAL A 7 -4.159 -12.629 2.395 1.00 55.33 H new ATOM 0 HG21 VAL A 7 -1.050 -12.283 2.385 1.00 65.24 H new ATOM 0 HG22 VAL A 7 -2.160 -10.968 1.933 1.00 65.24 H new ATOM 0 HG23 VAL A 7 -0.962 -10.717 3.224 1.00 65.24 H new ATOM 119 N ASP A 8 -1.989 -8.865 4.668 1.00 35.32 N ATOM 120 CA ASP A 8 -1.085 -7.925 5.362 1.00 41.55 C ATOM 121 C ASP A 8 -0.869 -6.646 4.497 1.00 10.43 C ATOM 122 O ASP A 8 -0.482 -6.767 3.335 1.00 70.14 O ATOM 123 CB ASP A 8 0.267 -8.629 5.657 1.00 41.14 C ATOM 124 CG ASP A 8 1.248 -7.750 6.447 1.00 34.14 C ATOM 125 OD1 ASP A 8 0.955 -7.430 7.621 1.00 2.33 O ATOM 126 OD2 ASP A 8 2.306 -7.364 5.903 1.00 63.14 O ATOM 0 H ASP A 8 -2.038 -8.712 3.661 1.00 35.32 H new ATOM 0 HA ASP A 8 -1.535 -7.620 6.307 1.00 41.55 H new ATOM 0 HB2 ASP A 8 0.078 -9.545 6.217 1.00 41.14 H new ATOM 0 HB3 ASP A 8 0.730 -8.922 4.715 1.00 41.14 H new ATOM 131 N PRO A 9 -1.119 -5.393 5.028 1.00 21.53 N ATOM 132 CA PRO A 9 -1.634 -5.124 6.397 1.00 73.35 C ATOM 133 C PRO A 9 -3.172 -5.290 6.495 1.00 32.12 C ATOM 134 O PRO A 9 -3.923 -4.769 5.674 1.00 31.24 O ATOM 135 CB PRO A 9 -1.215 -3.643 6.667 1.00 23.32 C ATOM 136 CG PRO A 9 -0.436 -3.217 5.447 1.00 2.41 C ATOM 137 CD PRO A 9 -0.891 -4.118 4.327 1.00 51.22 C ATOM 0 HA PRO A 9 -1.231 -5.827 7.126 1.00 73.35 H new ATOM 0 HB2 PRO A 9 -2.089 -3.009 6.816 1.00 23.32 H new ATOM 0 HB3 PRO A 9 -0.607 -3.565 7.568 1.00 23.32 H new ATOM 0 HG2 PRO A 9 -0.627 -2.171 5.208 1.00 2.41 H new ATOM 0 HG3 PRO A 9 0.636 -3.315 5.615 1.00 2.41 H new ATOM 0 HD2 PRO A 9 -1.798 -3.748 3.849 1.00 51.22 H new ATOM 0 HD3 PRO A 9 -0.135 -4.211 3.547 1.00 51.22 H new ATOM 145 N ARG A 10 -3.616 -5.998 7.533 1.00 54.32 N ATOM 146 CA ARG A 10 -5.042 -6.274 7.794 1.00 31.43 C ATOM 147 C ARG A 10 -5.636 -5.224 8.794 1.00 74.43 C ATOM 148 O ARG A 10 -6.782 -5.344 9.237 1.00 12.23 O ATOM 149 CB ARG A 10 -5.134 -7.726 8.348 1.00 12.23 C ATOM 150 CG ARG A 10 -6.513 -8.401 8.223 1.00 13.52 C ATOM 151 CD ARG A 10 -6.503 -9.832 8.794 1.00 43.23 C ATOM 152 NE ARG A 10 -7.781 -10.539 8.595 1.00 12.43 N ATOM 153 CZ ARG A 10 -8.046 -11.751 9.034 1.00 34.12 C ATOM 154 NH1 ARG A 10 -7.178 -12.431 9.724 1.00 70.13 N ATOM 155 NH2 ARG A 10 -9.190 -12.282 8.782 1.00 70.20 N ATOM 0 H ARG A 10 -2.992 -6.405 8.230 1.00 54.32 H new ATOM 0 HA ARG A 10 -5.632 -6.190 6.881 1.00 31.43 H new ATOM 0 HB2 ARG A 10 -4.400 -8.341 7.828 1.00 12.23 H new ATOM 0 HB3 ARG A 10 -4.850 -7.713 9.400 1.00 12.23 H new ATOM 0 HG2 ARG A 10 -7.259 -7.805 8.749 1.00 13.52 H new ATOM 0 HG3 ARG A 10 -6.810 -8.430 7.175 1.00 13.52 H new ATOM 0 HD2 ARG A 10 -5.702 -10.400 8.322 1.00 43.23 H new ATOM 0 HD3 ARG A 10 -6.279 -9.791 9.860 1.00 43.23 H new ATOM 0 HE ARG A 10 -8.514 -10.053 8.079 1.00 12.43 H new ATOM 0 HH11 ARG A 10 -6.266 -12.027 9.937 1.00 70.13 H new ATOM 0 HH12 ARG A 10 -7.409 -13.369 10.052 1.00 70.13 H new ATOM 0 HH21 ARG A 10 -9.885 -11.764 8.245 1.00 70.20 H new ATOM 0 HH22 ARG A 10 -9.402 -13.221 9.119 1.00 70.20 H new ATOM 169 N GLU A 11 -4.843 -4.172 9.103 1.00 33.32 N ATOM 170 CA GLU A 11 -5.165 -3.172 10.155 1.00 41.24 C ATOM 171 C GLU A 11 -4.699 -1.732 9.769 1.00 72.54 C ATOM 172 O GLU A 11 -4.350 -1.465 8.611 1.00 42.20 O ATOM 173 CB GLU A 11 -4.502 -3.623 11.488 1.00 31.54 C ATOM 174 CG GLU A 11 -2.961 -3.752 11.430 1.00 2.53 C ATOM 175 CD GLU A 11 -2.344 -4.096 12.794 1.00 4.33 C ATOM 176 OE1 GLU A 11 -2.315 -5.290 13.165 1.00 74.00 O ATOM 177 OE2 GLU A 11 -1.913 -3.169 13.517 1.00 1.32 O ATOM 0 H GLU A 11 -3.958 -3.990 8.630 1.00 33.32 H new ATOM 0 HA GLU A 11 -6.248 -3.125 10.268 1.00 41.24 H new ATOM 0 HB2 GLU A 11 -4.765 -2.909 12.269 1.00 31.54 H new ATOM 0 HB3 GLU A 11 -4.923 -4.585 11.781 1.00 31.54 H new ATOM 0 HG2 GLU A 11 -2.692 -4.524 10.709 1.00 2.53 H new ATOM 0 HG3 GLU A 11 -2.535 -2.816 11.069 1.00 2.53 H new ATOM 184 N HIS A 12 -4.726 -0.811 10.767 1.00 44.21 N ATOM 185 CA HIS A 12 -4.332 0.610 10.601 1.00 21.12 C ATOM 186 C HIS A 12 -2.810 0.803 10.842 1.00 61.31 C ATOM 187 O HIS A 12 -2.330 0.658 11.972 1.00 73.33 O ATOM 188 CB HIS A 12 -5.136 1.499 11.600 1.00 20.23 C ATOM 189 CG HIS A 12 -6.640 1.446 11.456 1.00 11.24 C ATOM 190 ND1 HIS A 12 -7.495 2.132 12.295 1.00 23.41 N ATOM 191 CD2 HIS A 12 -7.441 0.799 10.574 1.00 74.10 C ATOM 192 CE1 HIS A 12 -8.739 1.910 11.936 1.00 73.42 C ATOM 193 NE2 HIS A 12 -8.735 1.108 10.898 1.00 11.32 N ATOM 0 H HIS A 12 -5.024 -1.037 11.716 1.00 44.21 H new ATOM 0 HA HIS A 12 -4.557 0.908 9.577 1.00 21.12 H new ATOM 0 HB2 HIS A 12 -4.875 1.200 12.615 1.00 20.23 H new ATOM 0 HB3 HIS A 12 -4.813 2.533 11.479 1.00 20.23 H new ATOM 0 HD2 HIS A 12 -7.118 0.159 9.766 1.00 74.10 H new ATOM 0 HE1 HIS A 12 -9.617 2.319 12.415 1.00 73.42 H new ATOM 0 HE2 HIS A 12 -9.564 0.769 10.410 1.00 11.32 H new ATOM 202 N VAL A 13 -2.063 1.115 9.771 1.00 54.04 N ATOM 203 CA VAL A 13 -0.603 1.381 9.831 1.00 44.23 C ATOM 204 C VAL A 13 -0.323 2.907 9.838 1.00 41.35 C ATOM 205 O VAL A 13 -0.548 3.595 8.841 1.00 23.01 O ATOM 206 CB VAL A 13 0.142 0.699 8.623 1.00 2.21 C ATOM 207 CG1 VAL A 13 1.663 1.012 8.620 1.00 0.23 C ATOM 208 CG2 VAL A 13 -0.112 -0.829 8.620 1.00 73.24 C ATOM 0 H VAL A 13 -2.450 1.192 8.830 1.00 54.04 H new ATOM 0 HA VAL A 13 -0.223 0.952 10.758 1.00 44.23 H new ATOM 0 HB VAL A 13 -0.269 1.122 7.706 1.00 2.21 H new ATOM 0 HG11 VAL A 13 2.134 0.520 7.769 1.00 0.23 H new ATOM 0 HG12 VAL A 13 1.813 2.089 8.545 1.00 0.23 H new ATOM 0 HG13 VAL A 13 2.111 0.647 9.544 1.00 0.23 H new ATOM 0 HG21 VAL A 13 0.411 -1.283 7.778 1.00 73.24 H new ATOM 0 HG22 VAL A 13 0.256 -1.261 9.551 1.00 73.24 H new ATOM 0 HG23 VAL A 13 -1.181 -1.020 8.529 1.00 73.24 H new ATOM 218 N PHE A 14 0.160 3.422 10.978 1.00 62.14 N ATOM 219 CA PHE A 14 0.483 4.853 11.156 1.00 22.32 C ATOM 220 C PHE A 14 1.961 5.129 10.783 1.00 14.14 C ATOM 221 O PHE A 14 2.877 4.579 11.403 1.00 34.44 O ATOM 222 CB PHE A 14 0.204 5.281 12.620 1.00 52.25 C ATOM 223 CG PHE A 14 -1.218 4.970 13.098 1.00 2.42 C ATOM 224 CD1 PHE A 14 -2.260 5.874 12.889 1.00 43.20 C ATOM 225 CD2 PHE A 14 -1.515 3.763 13.738 1.00 21.21 C ATOM 226 CE1 PHE A 14 -3.543 5.587 13.312 1.00 54.31 C ATOM 227 CE2 PHE A 14 -2.802 3.478 14.158 1.00 70.23 C ATOM 228 CZ PHE A 14 -3.815 4.389 13.942 1.00 63.01 C ATOM 0 H PHE A 14 0.340 2.858 11.809 1.00 62.14 H new ATOM 0 HA PHE A 14 -0.151 5.440 10.491 1.00 22.32 H new ATOM 0 HB2 PHE A 14 0.915 4.780 13.276 1.00 52.25 H new ATOM 0 HB3 PHE A 14 0.383 6.352 12.715 1.00 52.25 H new ATOM 0 HD1 PHE A 14 -2.061 6.811 12.390 1.00 43.20 H new ATOM 0 HD2 PHE A 14 -0.728 3.043 13.907 1.00 21.21 H new ATOM 0 HE1 PHE A 14 -4.336 6.302 13.149 1.00 54.31 H new ATOM 0 HE2 PHE A 14 -3.013 2.543 14.655 1.00 70.23 H new ATOM 0 HZ PHE A 14 -4.821 4.165 14.266 1.00 63.01 H new ATOM 238 N VAL A 15 2.176 5.959 9.748 1.00 34.21 N ATOM 239 CA VAL A 15 3.520 6.361 9.275 1.00 50.42 C ATOM 240 C VAL A 15 3.747 7.877 9.508 1.00 61.01 C ATOM 241 O VAL A 15 3.082 8.709 8.887 1.00 25.42 O ATOM 242 CB VAL A 15 3.689 6.035 7.736 1.00 75.04 C ATOM 243 CG1 VAL A 15 5.089 6.449 7.198 1.00 73.11 C ATOM 244 CG2 VAL A 15 3.398 4.539 7.453 1.00 14.24 C ATOM 0 H VAL A 15 1.417 6.376 9.208 1.00 34.21 H new ATOM 0 HA VAL A 15 4.259 5.796 9.843 1.00 50.42 H new ATOM 0 HB VAL A 15 2.955 6.633 7.197 1.00 75.04 H new ATOM 0 HG11 VAL A 15 5.158 6.206 6.138 1.00 73.11 H new ATOM 0 HG12 VAL A 15 5.228 7.521 7.334 1.00 73.11 H new ATOM 0 HG13 VAL A 15 5.863 5.910 7.745 1.00 73.11 H new ATOM 0 HG21 VAL A 15 3.521 4.340 6.388 1.00 14.24 H new ATOM 0 HG22 VAL A 15 4.092 3.920 8.021 1.00 14.24 H new ATOM 0 HG23 VAL A 15 2.376 4.305 7.751 1.00 14.24 H new ATOM 254 N HIS A 16 4.668 8.237 10.425 1.00 55.42 N ATOM 255 CA HIS A 16 5.143 9.631 10.545 1.00 14.53 C ATOM 256 C HIS A 16 6.176 9.910 9.427 1.00 13.54 C ATOM 257 O HIS A 16 7.290 9.378 9.452 1.00 1.41 O ATOM 258 CB HIS A 16 5.766 9.912 11.937 1.00 74.54 C ATOM 259 CG HIS A 16 6.366 11.296 12.058 1.00 50.14 C ATOM 260 ND1 HIS A 16 7.723 11.520 12.128 1.00 11.43 N ATOM 261 CD2 HIS A 16 5.791 12.524 12.077 1.00 44.35 C ATOM 262 CE1 HIS A 16 7.957 12.808 12.181 1.00 71.13 C ATOM 263 NE2 HIS A 16 6.806 13.446 12.155 1.00 71.24 N ATOM 0 H HIS A 16 5.094 7.589 11.087 1.00 55.42 H new ATOM 0 HA HIS A 16 4.287 10.297 10.437 1.00 14.53 H new ATOM 0 HB2 HIS A 16 4.999 9.788 12.702 1.00 74.54 H new ATOM 0 HB3 HIS A 16 6.539 9.170 12.138 1.00 74.54 H new ATOM 0 HD2 HIS A 16 4.733 12.737 12.038 1.00 44.35 H new ATOM 0 HE1 HIS A 16 8.932 13.269 12.237 1.00 71.13 H new ATOM 0 HE2 HIS A 16 6.687 14.459 12.187 1.00 71.24 H new ATOM 272 N ALA A 17 5.783 10.716 8.438 1.00 64.33 N ATOM 273 CA ALA A 17 6.654 11.089 7.307 1.00 11.43 C ATOM 274 C ALA A 17 7.321 12.464 7.529 1.00 53.34 C ATOM 275 O ALA A 17 6.867 13.273 8.343 1.00 51.31 O ATOM 276 CB ALA A 17 5.835 11.085 6.018 1.00 3.51 C ATOM 0 H ALA A 17 4.853 11.132 8.393 1.00 64.33 H new ATOM 0 HA ALA A 17 7.457 10.355 7.230 1.00 11.43 H new ATOM 0 HB1 ALA A 17 6.475 11.360 5.180 1.00 3.51 H new ATOM 0 HB2 ALA A 17 5.425 10.089 5.850 1.00 3.51 H new ATOM 0 HB3 ALA A 17 5.019 11.803 6.103 1.00 3.51 H new ATOM 282 N ILE A 18 8.418 12.700 6.796 1.00 3.41 N ATOM 283 CA ILE A 18 9.198 13.963 6.822 1.00 44.23 C ATOM 284 C ILE A 18 9.494 14.402 5.361 1.00 50.34 C ATOM 285 O ILE A 18 9.542 13.554 4.461 1.00 70.23 O ATOM 286 CB ILE A 18 10.535 13.759 7.658 1.00 51.31 C ATOM 287 CG1 ILE A 18 10.203 13.544 9.180 1.00 60.25 C ATOM 288 CG2 ILE A 18 11.546 14.921 7.468 1.00 4.41 C ATOM 289 CD1 ILE A 18 11.403 13.317 10.086 1.00 73.12 C ATOM 0 H ILE A 18 8.803 12.009 6.152 1.00 3.41 H new ATOM 0 HA ILE A 18 8.625 14.751 7.311 1.00 44.23 H new ATOM 0 HB ILE A 18 11.020 12.863 7.271 1.00 51.31 H new ATOM 0 HG12 ILE A 18 9.657 14.415 9.541 1.00 60.25 H new ATOM 0 HG13 ILE A 18 9.534 12.688 9.271 1.00 60.25 H new ATOM 0 HG21 ILE A 18 12.439 14.727 8.062 1.00 4.41 H new ATOM 0 HG22 ILE A 18 11.820 14.997 6.416 1.00 4.41 H new ATOM 0 HG23 ILE A 18 11.090 15.857 7.792 1.00 4.41 H new ATOM 0 HD11 ILE A 18 11.063 13.180 11.113 1.00 73.12 H new ATOM 0 HD12 ILE A 18 11.942 12.427 9.760 1.00 73.12 H new ATOM 0 HD13 ILE A 18 12.066 14.181 10.035 1.00 73.12 H new ATOM 301 N THR A 19 9.675 15.725 5.130 1.00 31.24 N ATOM 302 CA THR A 19 9.928 16.305 3.777 1.00 31.11 C ATOM 303 C THR A 19 11.404 16.100 3.295 1.00 62.44 C ATOM 304 O THR A 19 12.056 17.037 2.801 1.00 44.31 O ATOM 305 CB THR A 19 9.560 17.836 3.758 1.00 44.23 C ATOM 306 OG1 THR A 19 10.369 18.564 4.703 1.00 2.44 O ATOM 307 CG2 THR A 19 8.073 18.073 4.083 1.00 44.33 C ATOM 0 H THR A 19 9.651 16.424 5.872 1.00 31.24 H new ATOM 0 HA THR A 19 9.286 15.766 3.080 1.00 31.11 H new ATOM 0 HB THR A 19 9.756 18.196 2.748 1.00 44.23 H new ATOM 0 HG1 THR A 19 10.128 19.514 4.677 1.00 2.44 H new ATOM 0 HG21 THR A 19 7.861 19.142 4.059 1.00 44.33 H new ATOM 0 HG22 THR A 19 7.454 17.564 3.345 1.00 44.33 H new ATOM 0 HG23 THR A 19 7.850 17.681 5.075 1.00 44.33 H new ATOM 315 N SER A 20 11.889 14.846 3.383 1.00 61.32 N ATOM 316 CA SER A 20 13.293 14.467 3.078 1.00 55.20 C ATOM 317 C SER A 20 13.404 12.941 2.844 1.00 5.32 C ATOM 318 O SER A 20 13.982 12.489 1.849 1.00 64.22 O ATOM 319 CB SER A 20 14.232 14.889 4.239 1.00 74.03 C ATOM 320 OG SER A 20 15.566 14.437 4.038 1.00 22.13 O ATOM 0 H SER A 20 11.314 14.054 3.671 1.00 61.32 H new ATOM 0 HA SER A 20 13.597 14.987 2.169 1.00 55.20 H new ATOM 0 HB2 SER A 20 14.228 15.975 4.332 1.00 74.03 H new ATOM 0 HB3 SER A 20 13.851 14.487 5.178 1.00 74.03 H new ATOM 0 HG SER A 20 15.726 13.638 4.582 1.00 22.13 H new ATOM 326 N GLU A 21 12.847 12.156 3.788 1.00 1.23 N ATOM 327 CA GLU A 21 12.849 10.670 3.729 1.00 0.51 C ATOM 328 C GLU A 21 11.841 10.129 2.684 1.00 2.12 C ATOM 329 O GLU A 21 10.976 10.862 2.194 1.00 33.35 O ATOM 330 CB GLU A 21 12.539 10.074 5.145 1.00 12.52 C ATOM 331 CG GLU A 21 13.704 10.132 6.168 1.00 35.12 C ATOM 332 CD GLU A 21 14.226 11.550 6.471 1.00 40.23 C ATOM 333 OE1 GLU A 21 13.597 12.264 7.271 1.00 5.50 O ATOM 334 OE2 GLU A 21 15.267 11.958 5.902 1.00 62.53 O ATOM 0 H GLU A 21 12.381 12.529 4.615 1.00 1.23 H new ATOM 0 HA GLU A 21 13.844 10.354 3.414 1.00 0.51 H new ATOM 0 HB2 GLU A 21 11.685 10.606 5.564 1.00 12.52 H new ATOM 0 HB3 GLU A 21 12.238 9.033 5.023 1.00 12.52 H new ATOM 0 HG2 GLU A 21 13.374 9.674 7.100 1.00 35.12 H new ATOM 0 HG3 GLU A 21 14.530 9.528 5.792 1.00 35.12 H new ATOM 341 N CYS A 22 11.980 8.833 2.350 1.00 32.33 N ATOM 342 CA CYS A 22 11.070 8.130 1.414 1.00 11.32 C ATOM 343 C CYS A 22 9.977 7.348 2.176 1.00 11.10 C ATOM 344 O CYS A 22 10.275 6.657 3.154 1.00 42.42 O ATOM 345 CB CYS A 22 11.880 7.159 0.522 1.00 24.25 C ATOM 346 SG CYS A 22 12.756 5.861 1.433 1.00 62.44 S ATOM 0 H CYS A 22 12.724 8.240 2.718 1.00 32.33 H new ATOM 0 HA CYS A 22 10.582 8.879 0.791 1.00 11.32 H new ATOM 0 HB2 CYS A 22 11.203 6.691 -0.193 1.00 24.25 H new ATOM 0 HB3 CYS A 22 12.605 7.734 -0.055 1.00 24.25 H new ATOM 0 HG CYS A 22 12.141 5.627 2.554 1.00 62.44 H new ATOM 352 N VAL A 23 8.707 7.466 1.738 1.00 22.33 N ATOM 353 CA VAL A 23 7.590 6.666 2.306 1.00 31.12 C ATOM 354 C VAL A 23 7.277 5.467 1.382 1.00 72.31 C ATOM 355 O VAL A 23 6.697 5.634 0.307 1.00 10.41 O ATOM 356 CB VAL A 23 6.295 7.550 2.518 1.00 34.11 C ATOM 357 CG1 VAL A 23 5.095 6.721 3.047 1.00 60.51 C ATOM 358 CG2 VAL A 23 6.599 8.734 3.461 1.00 35.20 C ATOM 0 H VAL A 23 8.424 8.105 0.995 1.00 22.33 H new ATOM 0 HA VAL A 23 7.901 6.295 3.283 1.00 31.12 H new ATOM 0 HB VAL A 23 6.006 7.939 1.542 1.00 34.11 H new ATOM 0 HG11 VAL A 23 4.231 7.373 3.176 1.00 60.51 H new ATOM 0 HG12 VAL A 23 4.853 5.935 2.332 1.00 60.51 H new ATOM 0 HG13 VAL A 23 5.357 6.272 4.005 1.00 60.51 H new ATOM 0 HG21 VAL A 23 5.698 9.332 3.596 1.00 35.20 H new ATOM 0 HG22 VAL A 23 6.931 8.354 4.427 1.00 35.20 H new ATOM 0 HG23 VAL A 23 7.384 9.353 3.026 1.00 35.20 H new ATOM 368 N MET A 24 7.661 4.253 1.821 1.00 34.04 N ATOM 369 CA MET A 24 7.364 3.012 1.083 1.00 54.05 C ATOM 370 C MET A 24 6.230 2.239 1.791 1.00 55.31 C ATOM 371 O MET A 24 6.467 1.456 2.721 1.00 0.11 O ATOM 372 CB MET A 24 8.646 2.138 0.920 1.00 0.41 C ATOM 373 CG MET A 24 8.471 0.898 0.023 1.00 5.43 C ATOM 374 SD MET A 24 10.035 0.035 -0.267 1.00 32.12 S ATOM 375 CE MET A 24 9.551 -1.274 -1.397 1.00 74.45 C ATOM 0 H MET A 24 8.180 4.106 2.687 1.00 34.04 H new ATOM 0 HA MET A 24 7.025 3.269 0.080 1.00 54.05 H new ATOM 0 HB2 MET A 24 9.442 2.758 0.508 1.00 0.41 H new ATOM 0 HB3 MET A 24 8.975 1.812 1.907 1.00 0.41 H new ATOM 0 HG2 MET A 24 7.761 0.213 0.488 1.00 5.43 H new ATOM 0 HG3 MET A 24 8.043 1.201 -0.933 1.00 5.43 H new ATOM 0 HE1 MET A 24 10.299 -2.067 -1.377 1.00 74.45 H new ATOM 0 HE2 MET A 24 8.585 -1.678 -1.093 1.00 74.45 H new ATOM 0 HE3 MET A 24 9.474 -0.873 -2.407 1.00 74.45 H new ATOM 385 N LEU A 25 4.991 2.520 1.365 1.00 65.21 N ATOM 386 CA LEU A 25 3.798 1.765 1.782 1.00 71.01 C ATOM 387 C LEU A 25 3.731 0.448 0.982 1.00 43.52 C ATOM 388 O LEU A 25 4.149 0.411 -0.172 1.00 55.04 O ATOM 389 CB LEU A 25 2.521 2.611 1.535 1.00 10.13 C ATOM 390 CG LEU A 25 2.502 4.029 2.187 1.00 54.24 C ATOM 391 CD1 LEU A 25 1.211 4.795 1.824 1.00 71.41 C ATOM 392 CD2 LEU A 25 2.695 3.950 3.723 1.00 73.33 C ATOM 0 H LEU A 25 4.785 3.281 0.718 1.00 65.21 H new ATOM 0 HA LEU A 25 3.860 1.539 2.846 1.00 71.01 H new ATOM 0 HB2 LEU A 25 2.388 2.726 0.459 1.00 10.13 H new ATOM 0 HB3 LEU A 25 1.662 2.052 1.905 1.00 10.13 H new ATOM 0 HG LEU A 25 3.345 4.588 1.780 1.00 54.24 H new ATOM 0 HD11 LEU A 25 1.228 5.779 2.293 1.00 71.41 H new ATOM 0 HD12 LEU A 25 1.148 4.910 0.742 1.00 71.41 H new ATOM 0 HD13 LEU A 25 0.345 4.238 2.181 1.00 71.41 H new ATOM 0 HD21 LEU A 25 2.677 4.955 4.144 1.00 73.33 H new ATOM 0 HD22 LEU A 25 1.891 3.358 4.161 1.00 73.33 H new ATOM 0 HD23 LEU A 25 3.653 3.481 3.946 1.00 73.33 H new ATOM 404 N ALA A 26 3.221 -0.623 1.597 1.00 14.42 N ATOM 405 CA ALA A 26 3.087 -1.941 0.935 1.00 61.33 C ATOM 406 C ALA A 26 1.818 -2.664 1.414 1.00 20.25 C ATOM 407 O ALA A 26 1.499 -2.649 2.605 1.00 21.42 O ATOM 408 CB ALA A 26 4.339 -2.801 1.189 1.00 22.14 C ATOM 0 H ALA A 26 2.889 -0.610 2.561 1.00 14.42 H new ATOM 0 HA ALA A 26 2.996 -1.779 -0.139 1.00 61.33 H new ATOM 0 HB1 ALA A 26 4.224 -3.766 0.696 1.00 22.14 H new ATOM 0 HB2 ALA A 26 5.217 -2.292 0.791 1.00 22.14 H new ATOM 0 HB3 ALA A 26 4.464 -2.954 2.261 1.00 22.14 H new ATOM 414 N CYS A 27 1.098 -3.280 0.464 1.00 1.14 N ATOM 415 CA CYS A 27 -0.119 -4.070 0.734 1.00 62.23 C ATOM 416 C CYS A 27 -0.131 -5.345 -0.127 1.00 43.23 C ATOM 417 O CYS A 27 0.235 -5.311 -1.300 1.00 23.15 O ATOM 418 CB CYS A 27 -1.388 -3.236 0.468 1.00 72.31 C ATOM 419 SG CYS A 27 -2.926 -4.090 0.884 1.00 0.32 S ATOM 0 H CYS A 27 1.345 -3.245 -0.525 1.00 1.14 H new ATOM 0 HA CYS A 27 -0.112 -4.355 1.786 1.00 62.23 H new ATOM 0 HB2 CYS A 27 -1.330 -2.311 1.042 1.00 72.31 H new ATOM 0 HB3 CYS A 27 -1.413 -2.956 -0.585 1.00 72.31 H new ATOM 0 HG CYS A 27 -3.349 -3.682 2.044 1.00 0.32 H new ATOM 425 N GLU A 28 -0.571 -6.462 0.463 1.00 22.41 N ATOM 426 CA GLU A 28 -0.589 -7.779 -0.201 1.00 42.34 C ATOM 427 C GLU A 28 -1.962 -8.450 -0.030 1.00 60.34 C ATOM 428 O GLU A 28 -2.491 -8.543 1.090 1.00 72.11 O ATOM 429 CB GLU A 28 0.511 -8.702 0.382 1.00 65.03 C ATOM 430 CG GLU A 28 0.693 -10.033 -0.390 1.00 23.03 C ATOM 431 CD GLU A 28 1.536 -11.073 0.370 1.00 63.03 C ATOM 432 OE1 GLU A 28 2.709 -10.781 0.692 1.00 51.53 O ATOM 433 OE2 GLU A 28 1.038 -12.182 0.658 1.00 33.42 O ATOM 0 H GLU A 28 -0.927 -6.483 1.419 1.00 22.41 H new ATOM 0 HA GLU A 28 -0.396 -7.622 -1.262 1.00 42.34 H new ATOM 0 HB2 GLU A 28 1.459 -8.163 0.385 1.00 65.03 H new ATOM 0 HB3 GLU A 28 0.269 -8.927 1.421 1.00 65.03 H new ATOM 0 HG2 GLU A 28 -0.288 -10.458 -0.603 1.00 23.03 H new ATOM 0 HG3 GLU A 28 1.165 -9.825 -1.350 1.00 23.03 H new ATOM 440 N VAL A 29 -2.533 -8.915 -1.148 1.00 32.54 N ATOM 441 CA VAL A 29 -3.762 -9.726 -1.158 1.00 62.11 C ATOM 442 C VAL A 29 -3.414 -11.234 -1.217 1.00 30.33 C ATOM 443 O VAL A 29 -2.272 -11.616 -1.475 1.00 63.31 O ATOM 444 CB VAL A 29 -4.693 -9.341 -2.371 1.00 4.53 C ATOM 445 CG1 VAL A 29 -5.145 -7.866 -2.276 1.00 21.34 C ATOM 446 CG2 VAL A 29 -3.999 -9.614 -3.724 1.00 35.10 C ATOM 0 H VAL A 29 -2.154 -8.739 -2.079 1.00 32.54 H new ATOM 0 HA VAL A 29 -4.303 -9.520 -0.234 1.00 62.11 H new ATOM 0 HB VAL A 29 -5.579 -9.974 -2.318 1.00 4.53 H new ATOM 0 HG11 VAL A 29 -5.786 -7.626 -3.125 1.00 21.34 H new ATOM 0 HG12 VAL A 29 -5.698 -7.714 -1.349 1.00 21.34 H new ATOM 0 HG13 VAL A 29 -4.270 -7.216 -2.287 1.00 21.34 H new ATOM 0 HG21 VAL A 29 -4.668 -9.338 -4.539 1.00 35.10 H new ATOM 0 HG22 VAL A 29 -3.085 -9.024 -3.790 1.00 35.10 H new ATOM 0 HG23 VAL A 29 -3.753 -10.673 -3.800 1.00 35.10 H new ATOM 456 N ASP A 30 -4.417 -12.075 -0.970 1.00 70.20 N ATOM 457 CA ASP A 30 -4.302 -13.539 -1.053 1.00 42.31 C ATOM 458 C ASP A 30 -4.659 -14.030 -2.489 1.00 25.11 C ATOM 459 O ASP A 30 -4.144 -15.055 -2.952 1.00 42.31 O ATOM 460 CB ASP A 30 -5.229 -14.150 0.027 1.00 43.43 C ATOM 461 CG ASP A 30 -5.208 -15.687 0.082 1.00 34.32 C ATOM 462 OD1 ASP A 30 -4.291 -16.254 0.711 1.00 60.20 O ATOM 463 OD2 ASP A 30 -6.124 -16.330 -0.480 1.00 23.10 O ATOM 0 H ASP A 30 -5.349 -11.758 -0.702 1.00 70.20 H new ATOM 0 HA ASP A 30 -3.278 -13.862 -0.864 1.00 42.31 H new ATOM 0 HB2 ASP A 30 -4.938 -13.759 1.002 1.00 43.43 H new ATOM 0 HB3 ASP A 30 -6.251 -13.818 -0.158 1.00 43.43 H new ATOM 468 N ARG A 31 -5.514 -13.254 -3.195 1.00 44.24 N ATOM 469 CA ARG A 31 -5.976 -13.576 -4.565 1.00 74.23 C ATOM 470 C ARG A 31 -5.134 -12.803 -5.611 1.00 44.03 C ATOM 471 O ARG A 31 -5.310 -11.591 -5.781 1.00 21.50 O ATOM 472 CB ARG A 31 -7.485 -13.215 -4.701 1.00 62.43 C ATOM 473 CG ARG A 31 -8.110 -13.492 -6.091 1.00 35.45 C ATOM 474 CD ARG A 31 -9.591 -13.085 -6.160 1.00 11.45 C ATOM 475 NE ARG A 31 -10.213 -13.405 -7.459 1.00 1.33 N ATOM 476 CZ ARG A 31 -11.415 -13.013 -7.845 1.00 52.54 C ATOM 477 NH1 ARG A 31 -12.153 -12.248 -7.097 1.00 23.22 N ATOM 478 NH2 ARG A 31 -11.869 -13.394 -8.989 1.00 74.41 N ATOM 0 H ARG A 31 -5.904 -12.385 -2.830 1.00 44.24 H new ATOM 0 HA ARG A 31 -5.848 -14.643 -4.748 1.00 74.23 H new ATOM 0 HB2 ARG A 31 -8.044 -13.775 -3.951 1.00 62.43 H new ATOM 0 HB3 ARG A 31 -7.611 -12.158 -4.469 1.00 62.43 H new ATOM 0 HG2 ARG A 31 -7.551 -12.948 -6.852 1.00 35.45 H new ATOM 0 HG3 ARG A 31 -8.016 -14.553 -6.323 1.00 35.45 H new ATOM 0 HD2 ARG A 31 -10.139 -13.591 -5.366 1.00 11.45 H new ATOM 0 HD3 ARG A 31 -9.678 -12.014 -5.975 1.00 11.45 H new ATOM 0 HE ARG A 31 -9.673 -13.974 -8.111 1.00 1.33 H new ATOM 0 HH11 ARG A 31 -11.808 -11.936 -6.189 1.00 23.22 H new ATOM 0 HH12 ARG A 31 -13.077 -11.959 -7.418 1.00 23.22 H new ATOM 0 HH21 ARG A 31 -11.302 -13.993 -9.589 1.00 74.41 H new ATOM 0 HH22 ARG A 31 -12.795 -13.096 -9.295 1.00 74.41 H new ATOM 492 N GLU A 32 -4.222 -13.515 -6.304 1.00 14.23 N ATOM 493 CA GLU A 32 -3.329 -12.933 -7.354 1.00 33.43 C ATOM 494 C GLU A 32 -4.112 -12.263 -8.513 1.00 33.21 C ATOM 495 O GLU A 32 -3.609 -11.340 -9.165 1.00 14.14 O ATOM 496 CB GLU A 32 -2.402 -14.038 -7.936 1.00 43.15 C ATOM 497 CG GLU A 32 -3.153 -15.217 -8.604 1.00 3.40 C ATOM 498 CD GLU A 32 -2.233 -16.165 -9.384 1.00 12.31 C ATOM 499 OE1 GLU A 32 -1.608 -17.051 -8.764 1.00 14.45 O ATOM 500 OE2 GLU A 32 -2.121 -16.015 -10.619 1.00 74.32 O ATOM 0 H GLU A 32 -4.076 -14.514 -6.158 1.00 14.23 H new ATOM 0 HA GLU A 32 -2.741 -12.156 -6.866 1.00 33.43 H new ATOM 0 HB2 GLU A 32 -1.735 -13.586 -8.670 1.00 43.15 H new ATOM 0 HB3 GLU A 32 -1.776 -14.430 -7.134 1.00 43.15 H new ATOM 0 HG2 GLU A 32 -3.679 -15.784 -7.836 1.00 3.40 H new ATOM 0 HG3 GLU A 32 -3.909 -14.819 -9.281 1.00 3.40 H new ATOM 507 N ASP A 33 -5.334 -12.770 -8.760 1.00 0.23 N ATOM 508 CA ASP A 33 -6.236 -12.288 -9.830 1.00 73.21 C ATOM 509 C ASP A 33 -6.709 -10.836 -9.584 1.00 22.21 C ATOM 510 O ASP A 33 -6.999 -10.103 -10.532 1.00 53.35 O ATOM 511 CB ASP A 33 -7.464 -13.229 -9.928 1.00 42.20 C ATOM 512 CG ASP A 33 -7.061 -14.712 -9.967 1.00 15.22 C ATOM 513 OD1 ASP A 33 -6.672 -15.203 -11.046 1.00 64.33 O ATOM 514 OD2 ASP A 33 -7.128 -15.388 -8.911 1.00 73.13 O ATOM 0 H ASP A 33 -5.731 -13.536 -8.216 1.00 0.23 H new ATOM 0 HA ASP A 33 -5.677 -12.295 -10.766 1.00 73.21 H new ATOM 0 HB2 ASP A 33 -8.121 -13.056 -9.076 1.00 42.20 H new ATOM 0 HB3 ASP A 33 -8.034 -12.986 -10.824 1.00 42.20 H new ATOM 519 N ALA A 34 -6.764 -10.432 -8.300 1.00 24.23 N ATOM 520 CA ALA A 34 -7.320 -9.133 -7.883 1.00 1.44 C ATOM 521 C ALA A 34 -6.408 -8.449 -6.821 1.00 3.33 C ATOM 522 O ALA A 34 -6.539 -8.718 -5.630 1.00 14.21 O ATOM 523 CB ALA A 34 -8.750 -9.346 -7.339 1.00 13.43 C ATOM 0 H ALA A 34 -6.424 -10.999 -7.523 1.00 24.23 H new ATOM 0 HA ALA A 34 -7.362 -8.467 -8.745 1.00 1.44 H new ATOM 0 HB1 ALA A 34 -9.168 -8.388 -7.028 1.00 13.43 H new ATOM 0 HB2 ALA A 34 -9.376 -9.779 -8.120 1.00 13.43 H new ATOM 0 HB3 ALA A 34 -8.717 -10.022 -6.484 1.00 13.43 H new ATOM 529 N PRO A 35 -5.424 -7.585 -7.240 1.00 10.13 N ATOM 530 CA PRO A 35 -4.648 -6.738 -6.287 1.00 63.55 C ATOM 531 C PRO A 35 -5.467 -5.508 -5.791 1.00 30.23 C ATOM 532 O PRO A 35 -6.646 -5.355 -6.133 1.00 62.11 O ATOM 533 CB PRO A 35 -3.417 -6.331 -7.132 1.00 73.41 C ATOM 534 CG PRO A 35 -3.940 -6.273 -8.539 1.00 22.13 C ATOM 535 CD PRO A 35 -4.968 -7.389 -8.648 1.00 33.23 C ATOM 0 HA PRO A 35 -4.382 -7.254 -5.365 1.00 63.55 H new ATOM 0 HB2 PRO A 35 -3.017 -5.368 -6.815 1.00 73.41 H new ATOM 0 HB3 PRO A 35 -2.610 -7.058 -7.036 1.00 73.41 H new ATOM 0 HG2 PRO A 35 -4.392 -5.304 -8.748 1.00 22.13 H new ATOM 0 HG3 PRO A 35 -3.135 -6.411 -9.261 1.00 22.13 H new ATOM 0 HD2 PRO A 35 -5.794 -7.110 -9.302 1.00 33.23 H new ATOM 0 HD3 PRO A 35 -4.530 -8.299 -9.058 1.00 33.23 H new ATOM 543 N VAL A 36 -4.842 -4.625 -4.987 1.00 33.43 N ATOM 544 CA VAL A 36 -5.546 -3.453 -4.388 1.00 34.33 C ATOM 545 C VAL A 36 -5.556 -2.222 -5.332 1.00 2.32 C ATOM 546 O VAL A 36 -4.764 -2.133 -6.266 1.00 52.15 O ATOM 547 CB VAL A 36 -4.911 -3.035 -3.002 1.00 14.14 C ATOM 548 CG1 VAL A 36 -4.758 -4.255 -2.069 1.00 32.35 C ATOM 549 CG2 VAL A 36 -3.559 -2.283 -3.163 1.00 34.55 C ATOM 0 H VAL A 36 -3.856 -4.693 -4.733 1.00 33.43 H new ATOM 0 HA VAL A 36 -6.575 -3.777 -4.230 1.00 34.33 H new ATOM 0 HB VAL A 36 -5.606 -2.334 -2.541 1.00 14.14 H new ATOM 0 HG11 VAL A 36 -4.319 -3.937 -1.123 1.00 32.35 H new ATOM 0 HG12 VAL A 36 -5.737 -4.697 -1.884 1.00 32.35 H new ATOM 0 HG13 VAL A 36 -4.110 -4.994 -2.540 1.00 32.35 H new ATOM 0 HG21 VAL A 36 -3.169 -2.021 -2.179 1.00 34.55 H new ATOM 0 HG22 VAL A 36 -2.844 -2.926 -3.677 1.00 34.55 H new ATOM 0 HG23 VAL A 36 -3.715 -1.375 -3.746 1.00 34.55 H new ATOM 559 N ARG A 37 -6.496 -1.297 -5.090 1.00 20.15 N ATOM 560 CA ARG A 37 -6.439 0.078 -5.626 1.00 5.42 C ATOM 561 C ARG A 37 -5.848 0.994 -4.530 1.00 53.45 C ATOM 562 O ARG A 37 -6.330 0.988 -3.392 1.00 41.14 O ATOM 563 CB ARG A 37 -7.856 0.600 -6.048 1.00 34.23 C ATOM 564 CG ARG A 37 -8.324 0.285 -7.498 1.00 61.13 C ATOM 565 CD ARG A 37 -8.878 -1.144 -7.718 1.00 1.54 C ATOM 566 NE ARG A 37 -7.855 -2.207 -7.636 1.00 40.43 N ATOM 567 CZ ARG A 37 -7.163 -2.691 -8.647 1.00 20.45 C ATOM 568 NH1 ARG A 37 -7.206 -2.149 -9.821 1.00 75.44 N ATOM 569 NH2 ARG A 37 -6.398 -3.707 -8.464 1.00 13.23 N ATOM 0 H ARG A 37 -7.320 -1.478 -4.517 1.00 20.15 H new ATOM 0 HA ARG A 37 -5.815 0.084 -6.520 1.00 5.42 H new ATOM 0 HB2 ARG A 37 -8.589 0.183 -5.358 1.00 34.23 H new ATOM 0 HB3 ARG A 37 -7.872 1.682 -5.915 1.00 34.23 H new ATOM 0 HG2 ARG A 37 -9.095 1.003 -7.777 1.00 61.13 H new ATOM 0 HG3 ARG A 37 -7.484 0.440 -8.175 1.00 61.13 H new ATOM 0 HD2 ARG A 37 -9.651 -1.341 -6.975 1.00 1.54 H new ATOM 0 HD3 ARG A 37 -9.357 -1.190 -8.696 1.00 1.54 H new ATOM 0 HE ARG A 37 -7.668 -2.601 -6.714 1.00 40.43 H new ATOM 0 HH11 ARG A 37 -7.786 -1.326 -9.982 1.00 75.44 H new ATOM 0 HH12 ARG A 37 -6.660 -2.545 -10.586 1.00 75.44 H new ATOM 0 HH21 ARG A 37 -6.329 -4.134 -7.540 1.00 13.23 H new ATOM 0 HH22 ARG A 37 -5.859 -4.087 -9.243 1.00 13.23 H new ATOM 583 N TRP A 38 -4.810 1.768 -4.878 1.00 61.31 N ATOM 584 CA TRP A 38 -4.192 2.738 -3.953 1.00 12.21 C ATOM 585 C TRP A 38 -4.953 4.077 -4.015 1.00 55.43 C ATOM 586 O TRP A 38 -5.024 4.694 -5.063 1.00 62.32 O ATOM 587 CB TRP A 38 -2.689 2.962 -4.302 1.00 73.32 C ATOM 588 CG TRP A 38 -1.795 1.784 -3.997 1.00 24.14 C ATOM 589 CD1 TRP A 38 -1.439 0.764 -4.837 1.00 3.11 C ATOM 590 CD2 TRP A 38 -1.142 1.519 -2.747 1.00 64.11 C ATOM 591 NE1 TRP A 38 -0.603 -0.109 -4.186 1.00 33.11 N ATOM 592 CE2 TRP A 38 -0.413 0.329 -2.899 1.00 24.43 C ATOM 593 CE3 TRP A 38 -1.112 2.178 -1.515 1.00 54.34 C ATOM 594 CZ2 TRP A 38 0.342 -0.218 -1.864 1.00 40.23 C ATOM 595 CZ3 TRP A 38 -0.363 1.638 -0.489 1.00 14.21 C ATOM 596 CH2 TRP A 38 0.354 0.445 -0.667 1.00 24.52 C ATOM 0 H TRP A 38 -4.376 1.743 -5.800 1.00 61.31 H new ATOM 0 HA TRP A 38 -4.251 2.335 -2.942 1.00 12.21 H new ATOM 0 HB2 TRP A 38 -2.607 3.200 -5.362 1.00 73.32 H new ATOM 0 HB3 TRP A 38 -2.326 3.830 -3.751 1.00 73.32 H new ATOM 0 HD1 TRP A 38 -1.767 0.661 -5.861 1.00 3.11 H new ATOM 0 HE1 TRP A 38 -0.190 -0.948 -4.593 1.00 33.11 H new ATOM 0 HE3 TRP A 38 -1.665 3.094 -1.368 1.00 54.34 H new ATOM 0 HZ2 TRP A 38 0.898 -1.133 -2.001 1.00 40.23 H new ATOM 0 HZ3 TRP A 38 -0.328 2.142 0.466 1.00 14.21 H new ATOM 0 HH2 TRP A 38 0.926 0.043 0.156 1.00 24.52 H new ATOM 607 N TYR A 39 -5.502 4.512 -2.873 1.00 71.42 N ATOM 608 CA TYR A 39 -6.213 5.806 -2.727 1.00 11.25 C ATOM 609 C TYR A 39 -5.408 6.718 -1.800 1.00 11.33 C ATOM 610 O TYR A 39 -4.807 6.239 -0.851 1.00 3.20 O ATOM 611 CB TYR A 39 -7.634 5.598 -2.141 1.00 25.55 C ATOM 612 CG TYR A 39 -8.581 4.824 -3.067 1.00 73.22 C ATOM 613 CD1 TYR A 39 -9.341 5.486 -4.035 1.00 23.11 C ATOM 614 CD2 TYR A 39 -8.707 3.436 -2.985 1.00 62.03 C ATOM 615 CE1 TYR A 39 -10.185 4.796 -4.876 1.00 32.41 C ATOM 616 CE2 TYR A 39 -9.554 2.749 -3.832 1.00 13.40 C ATOM 617 CZ TYR A 39 -10.289 3.431 -4.771 1.00 44.23 C ATOM 618 OH TYR A 39 -11.135 2.745 -5.610 1.00 25.41 O ATOM 0 H TYR A 39 -5.469 3.973 -2.008 1.00 71.42 H new ATOM 0 HA TYR A 39 -6.312 6.262 -3.712 1.00 11.25 H new ATOM 0 HB2 TYR A 39 -7.551 5.065 -1.194 1.00 25.55 H new ATOM 0 HB3 TYR A 39 -8.072 6.572 -1.921 1.00 25.55 H new ATOM 0 HD1 TYR A 39 -9.265 6.560 -4.125 1.00 23.11 H new ATOM 0 HD2 TYR A 39 -8.134 2.892 -2.249 1.00 62.03 H new ATOM 0 HE1 TYR A 39 -10.764 5.327 -5.617 1.00 32.41 H new ATOM 0 HE2 TYR A 39 -9.639 1.675 -3.756 1.00 13.40 H new ATOM 0 HH TYR A 39 -11.091 1.787 -5.407 1.00 25.41 H new ATOM 628 N LYS A 40 -5.368 8.022 -2.099 1.00 70.12 N ATOM 629 CA LYS A 40 -4.623 9.010 -1.278 1.00 61.35 C ATOM 630 C LYS A 40 -5.554 9.737 -0.275 1.00 5.23 C ATOM 631 O LYS A 40 -5.135 10.097 0.827 1.00 71.35 O ATOM 632 CB LYS A 40 -3.920 10.033 -2.206 1.00 43.14 C ATOM 633 CG LYS A 40 -3.010 11.037 -1.464 1.00 33.04 C ATOM 634 CD LYS A 40 -2.346 12.061 -2.404 1.00 11.02 C ATOM 635 CE LYS A 40 -1.476 13.064 -1.644 1.00 20.31 C ATOM 636 NZ LYS A 40 -2.249 13.824 -0.623 1.00 51.44 N ATOM 0 H LYS A 40 -5.842 8.428 -2.906 1.00 70.12 H new ATOM 0 HA LYS A 40 -3.874 8.474 -0.695 1.00 61.35 H new ATOM 0 HB2 LYS A 40 -3.323 9.491 -2.939 1.00 43.14 H new ATOM 0 HB3 LYS A 40 -4.679 10.587 -2.759 1.00 43.14 H new ATOM 0 HG2 LYS A 40 -3.599 11.568 -0.716 1.00 33.04 H new ATOM 0 HG3 LYS A 40 -2.235 10.489 -0.929 1.00 33.04 H new ATOM 0 HD2 LYS A 40 -1.735 11.535 -3.138 1.00 11.02 H new ATOM 0 HD3 LYS A 40 -3.117 12.597 -2.957 1.00 11.02 H new ATOM 0 HE2 LYS A 40 -0.657 12.535 -1.157 1.00 20.31 H new ATOM 0 HE3 LYS A 40 -1.028 13.762 -2.351 1.00 20.31 H new ATOM 0 HZ1 LYS A 40 -1.895 14.801 -0.575 1.00 51.44 H new ATOM 0 HZ2 LYS A 40 -3.255 13.833 -0.885 1.00 51.44 H new ATOM 0 HZ3 LYS A 40 -2.138 13.370 0.306 1.00 51.44 H new ATOM 650 N ASP A 41 -6.811 9.950 -0.689 1.00 52.00 N ATOM 651 CA ASP A 41 -7.821 10.685 0.101 1.00 13.24 C ATOM 652 C ASP A 41 -9.246 10.203 -0.287 1.00 73.33 C ATOM 653 O ASP A 41 -9.924 9.524 0.491 1.00 22.24 O ATOM 654 CB ASP A 41 -7.650 12.216 -0.142 1.00 15.14 C ATOM 655 CG ASP A 41 -8.618 13.087 0.683 1.00 55.20 C ATOM 656 OD1 ASP A 41 -9.747 13.363 0.214 1.00 12.15 O ATOM 657 OD2 ASP A 41 -8.251 13.504 1.801 1.00 54.30 O ATOM 0 H ASP A 41 -7.162 9.617 -1.587 1.00 52.00 H new ATOM 0 HA ASP A 41 -7.681 10.488 1.164 1.00 13.24 H new ATOM 0 HB2 ASP A 41 -6.625 12.501 0.098 1.00 15.14 H new ATOM 0 HB3 ASP A 41 -7.800 12.426 -1.201 1.00 15.14 H new ATOM 662 N GLY A 42 -9.675 10.561 -1.514 1.00 63.23 N ATOM 663 CA GLY A 42 -10.989 10.166 -2.057 1.00 23.53 C ATOM 664 C GLY A 42 -10.916 9.738 -3.524 1.00 71.40 C ATOM 665 O GLY A 42 -11.945 9.492 -4.158 1.00 12.14 O ATOM 0 H GLY A 42 -9.122 11.130 -2.154 1.00 63.23 H new ATOM 0 HA2 GLY A 42 -11.392 9.346 -1.463 1.00 23.53 H new ATOM 0 HA3 GLY A 42 -11.684 11.000 -1.960 1.00 23.53 H new ATOM 669 N GLN A 43 -9.688 9.668 -4.059 1.00 10.11 N ATOM 670 CA GLN A 43 -9.407 9.185 -5.429 1.00 55.14 C ATOM 671 C GLN A 43 -8.027 8.485 -5.436 1.00 44.14 C ATOM 672 O GLN A 43 -7.264 8.613 -4.462 1.00 62.25 O ATOM 673 CB GLN A 43 -9.461 10.372 -6.448 1.00 70.33 C ATOM 674 CG GLN A 43 -9.578 9.949 -7.931 1.00 3.35 C ATOM 675 CD GLN A 43 -9.734 11.122 -8.899 1.00 35.35 C ATOM 676 OE1 GLN A 43 -8.765 11.643 -9.438 1.00 24.22 O ATOM 677 NE2 GLN A 43 -10.959 11.566 -9.100 1.00 32.20 N ATOM 0 H GLN A 43 -8.849 9.947 -3.551 1.00 10.11 H new ATOM 0 HA GLN A 43 -10.166 8.466 -5.737 1.00 55.14 H new ATOM 0 HB2 GLN A 43 -10.310 11.008 -6.198 1.00 70.33 H new ATOM 0 HB3 GLN A 43 -8.563 10.977 -6.327 1.00 70.33 H new ATOM 0 HG2 GLN A 43 -8.691 9.378 -8.207 1.00 3.35 H new ATOM 0 HG3 GLN A 43 -10.433 9.283 -8.042 1.00 3.35 H new ATOM 0 HE21 GLN A 43 -11.748 11.113 -8.638 1.00 32.20 H new ATOM 0 HE22 GLN A 43 -11.118 12.362 -9.717 1.00 32.20 H new ATOM 686 N GLU A 44 -7.730 7.728 -6.513 1.00 43.04 N ATOM 687 CA GLU A 44 -6.459 6.977 -6.662 1.00 71.21 C ATOM 688 C GLU A 44 -5.221 7.916 -6.584 1.00 34.40 C ATOM 689 O GLU A 44 -5.283 9.054 -7.047 1.00 2.55 O ATOM 690 CB GLU A 44 -6.477 6.175 -7.996 1.00 33.44 C ATOM 691 CG GLU A 44 -5.247 5.262 -8.224 1.00 0.43 C ATOM 692 CD GLU A 44 -5.393 4.335 -9.439 1.00 11.23 C ATOM 693 OE1 GLU A 44 -5.058 4.750 -10.568 1.00 31.35 O ATOM 694 OE2 GLU A 44 -5.857 3.187 -9.262 1.00 1.13 O ATOM 0 H GLU A 44 -8.363 7.618 -7.306 1.00 43.04 H new ATOM 0 HA GLU A 44 -6.374 6.277 -5.831 1.00 71.21 H new ATOM 0 HB2 GLU A 44 -7.377 5.561 -8.022 1.00 33.44 H new ATOM 0 HB3 GLU A 44 -6.548 6.879 -8.825 1.00 33.44 H new ATOM 0 HG2 GLU A 44 -4.361 5.884 -8.355 1.00 0.43 H new ATOM 0 HG3 GLU A 44 -5.083 4.657 -7.332 1.00 0.43 H new ATOM 701 N VAL A 45 -4.108 7.416 -5.988 1.00 5.24 N ATOM 702 CA VAL A 45 -2.881 8.231 -5.725 1.00 44.32 C ATOM 703 C VAL A 45 -2.232 8.759 -7.035 1.00 63.40 C ATOM 704 O VAL A 45 -1.603 9.826 -7.027 1.00 3.43 O ATOM 705 CB VAL A 45 -1.795 7.425 -4.902 1.00 65.13 C ATOM 706 CG1 VAL A 45 -0.644 8.345 -4.407 1.00 3.23 C ATOM 707 CG2 VAL A 45 -2.432 6.677 -3.715 1.00 43.04 C ATOM 0 H VAL A 45 -4.030 6.448 -5.677 1.00 5.24 H new ATOM 0 HA VAL A 45 -3.218 9.081 -5.132 1.00 44.32 H new ATOM 0 HB VAL A 45 -1.366 6.689 -5.582 1.00 65.13 H new ATOM 0 HG11 VAL A 45 0.080 7.753 -3.847 1.00 3.23 H new ATOM 0 HG12 VAL A 45 -0.151 8.804 -5.264 1.00 3.23 H new ATOM 0 HG13 VAL A 45 -1.052 9.124 -3.763 1.00 3.23 H new ATOM 0 HG21 VAL A 45 -1.660 6.134 -3.171 1.00 43.04 H new ATOM 0 HG22 VAL A 45 -2.910 7.394 -3.048 1.00 43.04 H new ATOM 0 HG23 VAL A 45 -3.177 5.974 -4.086 1.00 43.04 H new ATOM 717 N GLU A 46 -2.423 7.995 -8.144 1.00 32.01 N ATOM 718 CA GLU A 46 -1.902 8.312 -9.506 1.00 2.41 C ATOM 719 C GLU A 46 -0.352 8.244 -9.568 1.00 64.03 C ATOM 720 O GLU A 46 0.343 8.827 -8.729 1.00 13.15 O ATOM 721 CB GLU A 46 -2.411 9.706 -9.995 1.00 2.51 C ATOM 722 CG GLU A 46 -3.951 9.862 -9.994 1.00 52.40 C ATOM 723 CD GLU A 46 -4.421 11.317 -10.201 1.00 72.32 C ATOM 724 OE1 GLU A 46 -4.290 12.128 -9.256 1.00 41.31 O ATOM 725 OE2 GLU A 46 -4.913 11.658 -11.300 1.00 23.25 O ATOM 0 H GLU A 46 -2.953 7.124 -8.118 1.00 32.01 H new ATOM 0 HA GLU A 46 -2.291 7.548 -10.179 1.00 2.41 H new ATOM 0 HB2 GLU A 46 -1.979 10.480 -9.360 1.00 2.51 H new ATOM 0 HB3 GLU A 46 -2.041 9.880 -11.005 1.00 2.51 H new ATOM 0 HG2 GLU A 46 -4.372 9.237 -10.781 1.00 52.40 H new ATOM 0 HG3 GLU A 46 -4.345 9.492 -9.048 1.00 52.40 H new ATOM 732 N GLU A 47 0.194 7.534 -10.580 1.00 55.42 N ATOM 733 CA GLU A 47 1.660 7.419 -10.783 1.00 62.52 C ATOM 734 C GLU A 47 2.196 8.746 -11.366 1.00 14.42 C ATOM 735 O GLU A 47 2.332 8.900 -12.580 1.00 75.14 O ATOM 736 CB GLU A 47 2.047 6.214 -11.708 1.00 70.22 C ATOM 737 CG GLU A 47 1.432 4.843 -11.333 1.00 33.31 C ATOM 738 CD GLU A 47 -0.043 4.692 -11.752 1.00 22.45 C ATOM 739 OE1 GLU A 47 -0.306 4.487 -12.954 1.00 74.31 O ATOM 740 OE2 GLU A 47 -0.946 4.832 -10.901 1.00 11.34 O ATOM 0 H GLU A 47 -0.359 7.029 -11.273 1.00 55.42 H new ATOM 0 HA GLU A 47 2.119 7.224 -9.814 1.00 62.52 H new ATOM 0 HB2 GLU A 47 1.750 6.456 -12.729 1.00 70.22 H new ATOM 0 HB3 GLU A 47 3.133 6.115 -11.707 1.00 70.22 H new ATOM 0 HG2 GLU A 47 2.017 4.052 -11.802 1.00 33.31 H new ATOM 0 HG3 GLU A 47 1.511 4.702 -10.255 1.00 33.31 H new ATOM 747 N SER A 48 2.433 9.722 -10.476 1.00 32.20 N ATOM 748 CA SER A 48 2.826 11.104 -10.852 1.00 15.43 C ATOM 749 C SER A 48 4.371 11.272 -10.845 1.00 23.11 C ATOM 750 O SER A 48 5.106 10.292 -10.683 1.00 23.21 O ATOM 751 CB SER A 48 2.134 12.101 -9.883 1.00 70.05 C ATOM 752 OG SER A 48 2.300 13.452 -10.302 1.00 2.34 O ATOM 0 H SER A 48 2.359 9.582 -9.468 1.00 32.20 H new ATOM 0 HA SER A 48 2.498 11.312 -11.870 1.00 15.43 H new ATOM 0 HB2 SER A 48 1.071 11.868 -9.821 1.00 70.05 H new ATOM 0 HB3 SER A 48 2.546 11.979 -8.881 1.00 70.05 H new ATOM 0 HG SER A 48 1.850 14.049 -9.668 1.00 2.34 H new ATOM 758 N ASP A 49 4.858 12.522 -11.016 1.00 62.12 N ATOM 759 CA ASP A 49 6.311 12.837 -11.088 1.00 43.31 C ATOM 760 C ASP A 49 7.088 12.438 -9.798 1.00 43.00 C ATOM 761 O ASP A 49 8.293 12.178 -9.852 1.00 73.42 O ATOM 762 CB ASP A 49 6.504 14.348 -11.380 1.00 52.24 C ATOM 763 CG ASP A 49 5.769 14.792 -12.655 1.00 12.54 C ATOM 764 OD1 ASP A 49 6.355 14.713 -13.756 1.00 52.11 O ATOM 765 OD2 ASP A 49 4.584 15.185 -12.564 1.00 41.02 O ATOM 0 H ASP A 49 4.259 13.343 -11.108 1.00 62.12 H new ATOM 0 HA ASP A 49 6.727 12.240 -11.899 1.00 43.31 H new ATOM 0 HB2 ASP A 49 6.141 14.929 -10.532 1.00 52.24 H new ATOM 0 HB3 ASP A 49 7.568 14.564 -11.482 1.00 52.24 H new ATOM 770 N PHE A 50 6.389 12.404 -8.647 1.00 10.43 N ATOM 771 CA PHE A 50 6.978 12.014 -7.335 1.00 63.14 C ATOM 772 C PHE A 50 6.337 10.720 -6.764 1.00 62.42 C ATOM 773 O PHE A 50 6.699 10.290 -5.671 1.00 33.04 O ATOM 774 CB PHE A 50 6.839 13.183 -6.315 1.00 25.20 C ATOM 775 CG PHE A 50 7.644 14.438 -6.681 1.00 21.44 C ATOM 776 CD1 PHE A 50 7.136 15.390 -7.569 1.00 61.34 C ATOM 777 CD2 PHE A 50 8.910 14.664 -6.136 1.00 2.31 C ATOM 778 CE1 PHE A 50 7.866 16.517 -7.905 1.00 53.15 C ATOM 779 CE2 PHE A 50 9.638 15.790 -6.475 1.00 35.45 C ATOM 780 CZ PHE A 50 9.115 16.718 -7.355 1.00 12.42 C ATOM 0 H PHE A 50 5.399 12.645 -8.592 1.00 10.43 H new ATOM 0 HA PHE A 50 8.034 11.803 -7.502 1.00 63.14 H new ATOM 0 HB2 PHE A 50 5.786 13.453 -6.230 1.00 25.20 H new ATOM 0 HB3 PHE A 50 7.159 12.834 -5.333 1.00 25.20 H new ATOM 0 HD1 PHE A 50 6.157 15.244 -8.001 1.00 61.34 H new ATOM 0 HD2 PHE A 50 9.326 13.950 -5.441 1.00 2.31 H new ATOM 0 HE1 PHE A 50 7.458 17.239 -8.597 1.00 53.15 H new ATOM 0 HE2 PHE A 50 10.619 15.944 -6.050 1.00 35.45 H new ATOM 0 HZ PHE A 50 9.683 17.600 -7.612 1.00 12.42 H new ATOM 790 N VAL A 51 5.394 10.094 -7.507 1.00 12.34 N ATOM 791 CA VAL A 51 4.707 8.847 -7.055 1.00 50.14 C ATOM 792 C VAL A 51 4.952 7.691 -8.056 1.00 55.34 C ATOM 793 O VAL A 51 4.651 7.830 -9.242 1.00 53.53 O ATOM 794 CB VAL A 51 3.143 9.037 -6.913 1.00 51.35 C ATOM 795 CG1 VAL A 51 2.476 7.774 -6.302 1.00 42.35 C ATOM 796 CG2 VAL A 51 2.781 10.307 -6.107 1.00 44.43 C ATOM 0 H VAL A 51 5.088 10.426 -8.421 1.00 12.34 H new ATOM 0 HA VAL A 51 5.128 8.610 -6.078 1.00 50.14 H new ATOM 0 HB VAL A 51 2.746 9.174 -7.919 1.00 51.35 H new ATOM 0 HG11 VAL A 51 1.401 7.935 -6.217 1.00 42.35 H new ATOM 0 HG12 VAL A 51 2.664 6.915 -6.946 1.00 42.35 H new ATOM 0 HG13 VAL A 51 2.894 7.584 -5.313 1.00 42.35 H new ATOM 0 HG21 VAL A 51 1.697 10.396 -6.036 1.00 44.43 H new ATOM 0 HG22 VAL A 51 3.206 10.236 -5.106 1.00 44.43 H new ATOM 0 HG23 VAL A 51 3.185 11.185 -6.611 1.00 44.43 H new ATOM 806 N VAL A 52 5.485 6.550 -7.573 1.00 22.33 N ATOM 807 CA VAL A 52 5.575 5.302 -8.375 1.00 34.43 C ATOM 808 C VAL A 52 4.818 4.139 -7.659 1.00 44.21 C ATOM 809 O VAL A 52 5.155 3.739 -6.538 1.00 65.31 O ATOM 810 CB VAL A 52 7.075 4.904 -8.717 1.00 33.03 C ATOM 811 CG1 VAL A 52 7.734 5.952 -9.658 1.00 12.35 C ATOM 812 CG2 VAL A 52 7.933 4.701 -7.443 1.00 63.10 C ATOM 0 H VAL A 52 5.862 6.462 -6.629 1.00 22.33 H new ATOM 0 HA VAL A 52 5.088 5.492 -9.332 1.00 34.43 H new ATOM 0 HB VAL A 52 7.034 3.948 -9.238 1.00 33.03 H new ATOM 0 HG11 VAL A 52 8.760 5.653 -9.874 1.00 12.35 H new ATOM 0 HG12 VAL A 52 7.169 6.011 -10.588 1.00 12.35 H new ATOM 0 HG13 VAL A 52 7.736 6.928 -9.172 1.00 12.35 H new ATOM 0 HG21 VAL A 52 8.950 4.430 -7.728 1.00 63.10 H new ATOM 0 HG22 VAL A 52 7.952 5.626 -6.866 1.00 63.10 H new ATOM 0 HG23 VAL A 52 7.502 3.904 -6.837 1.00 63.10 H new ATOM 822 N LEU A 53 3.738 3.658 -8.302 1.00 74.11 N ATOM 823 CA LEU A 53 2.952 2.498 -7.824 1.00 12.22 C ATOM 824 C LEU A 53 3.448 1.213 -8.526 1.00 44.00 C ATOM 825 O LEU A 53 3.246 1.041 -9.732 1.00 54.45 O ATOM 826 CB LEU A 53 1.428 2.708 -8.091 1.00 43.34 C ATOM 827 CG LEU A 53 0.760 3.935 -7.380 1.00 62.42 C ATOM 828 CD1 LEU A 53 -0.757 4.016 -7.682 1.00 63.11 C ATOM 829 CD2 LEU A 53 1.017 3.904 -5.860 1.00 44.42 C ATOM 0 H LEU A 53 3.383 4.061 -9.169 1.00 74.11 H new ATOM 0 HA LEU A 53 3.093 2.399 -6.748 1.00 12.22 H new ATOM 0 HB2 LEU A 53 1.281 2.814 -9.166 1.00 43.34 H new ATOM 0 HB3 LEU A 53 0.900 1.805 -7.784 1.00 43.34 H new ATOM 0 HG LEU A 53 1.224 4.835 -7.784 1.00 62.42 H new ATOM 0 HD11 LEU A 53 -1.184 4.879 -7.172 1.00 63.11 H new ATOM 0 HD12 LEU A 53 -0.909 4.118 -8.757 1.00 63.11 H new ATOM 0 HD13 LEU A 53 -1.247 3.108 -7.331 1.00 63.11 H new ATOM 0 HD21 LEU A 53 0.542 4.767 -5.393 1.00 44.42 H new ATOM 0 HD22 LEU A 53 0.601 2.989 -5.439 1.00 44.42 H new ATOM 0 HD23 LEU A 53 2.090 3.934 -5.672 1.00 44.42 H new ATOM 841 N GLU A 54 4.125 0.334 -7.772 1.00 72.44 N ATOM 842 CA GLU A 54 4.704 -0.924 -8.298 1.00 14.24 C ATOM 843 C GLU A 54 3.852 -2.155 -7.892 1.00 42.12 C ATOM 844 O GLU A 54 3.236 -2.172 -6.819 1.00 24.20 O ATOM 845 CB GLU A 54 6.161 -1.073 -7.790 1.00 13.22 C ATOM 846 CG GLU A 54 7.087 0.106 -8.166 1.00 61.41 C ATOM 847 CD GLU A 54 8.525 -0.061 -7.646 1.00 43.42 C ATOM 848 OE1 GLU A 54 8.800 0.341 -6.497 1.00 42.40 O ATOM 849 OE2 GLU A 54 9.378 -0.615 -8.376 1.00 22.12 O ATOM 0 H GLU A 54 4.290 0.471 -6.775 1.00 72.44 H new ATOM 0 HA GLU A 54 4.704 -0.877 -9.387 1.00 14.24 H new ATOM 0 HB2 GLU A 54 6.147 -1.177 -6.705 1.00 13.22 H new ATOM 0 HB3 GLU A 54 6.582 -1.994 -8.193 1.00 13.22 H new ATOM 0 HG2 GLU A 54 7.110 0.209 -9.251 1.00 61.41 H new ATOM 0 HG3 GLU A 54 6.668 1.030 -7.766 1.00 61.41 H new ATOM 856 N ASN A 55 3.825 -3.176 -8.774 1.00 3.35 N ATOM 857 CA ASN A 55 3.047 -4.423 -8.566 1.00 32.43 C ATOM 858 C ASN A 55 3.894 -5.671 -8.916 1.00 41.41 C ATOM 859 O ASN A 55 4.774 -5.620 -9.780 1.00 75.43 O ATOM 860 CB ASN A 55 1.751 -4.395 -9.432 1.00 11.42 C ATOM 861 CG ASN A 55 0.834 -5.615 -9.218 1.00 44.44 C ATOM 862 OD1 ASN A 55 -0.041 -5.614 -8.368 1.00 51.34 O ATOM 863 ND2 ASN A 55 1.030 -6.668 -9.985 1.00 74.34 N ATOM 0 H ASN A 55 4.342 -3.162 -9.653 1.00 3.35 H new ATOM 0 HA ASN A 55 2.773 -4.482 -7.513 1.00 32.43 H new ATOM 0 HB2 ASN A 55 1.192 -3.488 -9.204 1.00 11.42 H new ATOM 0 HB3 ASN A 55 2.029 -4.342 -10.484 1.00 11.42 H new ATOM 0 HD21 ASN A 55 0.446 -7.497 -9.872 1.00 74.34 H new ATOM 0 HD22 ASN A 55 1.765 -6.654 -10.692 1.00 74.34 H new ATOM 870 N GLU A 56 3.597 -6.787 -8.232 1.00 74.44 N ATOM 871 CA GLU A 56 4.097 -8.127 -8.583 1.00 51.52 C ATOM 872 C GLU A 56 3.019 -9.168 -8.214 1.00 13.13 C ATOM 873 O GLU A 56 3.024 -9.715 -7.109 1.00 34.01 O ATOM 874 CB GLU A 56 5.465 -8.411 -7.893 1.00 54.35 C ATOM 875 CG GLU A 56 6.087 -9.796 -8.196 1.00 42.41 C ATOM 876 CD GLU A 56 6.177 -10.114 -9.702 1.00 75.43 C ATOM 877 OE1 GLU A 56 7.045 -9.544 -10.391 1.00 11.53 O ATOM 878 OE2 GLU A 56 5.359 -10.919 -10.199 1.00 43.10 O ATOM 0 H GLU A 56 2.995 -6.785 -7.409 1.00 74.44 H new ATOM 0 HA GLU A 56 4.284 -8.189 -9.655 1.00 51.52 H new ATOM 0 HB2 GLU A 56 6.173 -7.640 -8.196 1.00 54.35 H new ATOM 0 HB3 GLU A 56 5.335 -8.318 -6.815 1.00 54.35 H new ATOM 0 HG2 GLU A 56 7.087 -9.839 -7.763 1.00 42.41 H new ATOM 0 HG3 GLU A 56 5.494 -10.567 -7.705 1.00 42.41 H new ATOM 885 N GLY A 57 2.064 -9.384 -9.149 1.00 65.23 N ATOM 886 CA GLY A 57 0.903 -10.269 -8.934 1.00 75.45 C ATOM 887 C GLY A 57 -0.001 -9.845 -7.757 1.00 42.20 C ATOM 888 O GLY A 57 -0.708 -8.837 -7.871 1.00 30.32 O ATOM 0 H GLY A 57 2.080 -8.949 -10.071 1.00 65.23 H new ATOM 0 HA2 GLY A 57 0.306 -10.296 -9.846 1.00 75.45 H new ATOM 0 HA3 GLY A 57 1.260 -11.283 -8.757 1.00 75.45 H new ATOM 892 N PRO A 58 0.016 -10.587 -6.591 1.00 15.14 N ATOM 893 CA PRO A 58 -0.750 -10.202 -5.379 1.00 43.30 C ATOM 894 C PRO A 58 -0.079 -9.064 -4.560 1.00 34.24 C ATOM 895 O PRO A 58 -0.709 -8.471 -3.674 1.00 71.40 O ATOM 896 CB PRO A 58 -0.831 -11.525 -4.549 1.00 21.15 C ATOM 897 CG PRO A 58 -0.023 -12.564 -5.297 1.00 13.33 C ATOM 898 CD PRO A 58 0.772 -11.845 -6.365 1.00 35.31 C ATOM 0 HA PRO A 58 -1.726 -9.795 -5.642 1.00 43.30 H new ATOM 0 HB2 PRO A 58 -0.433 -11.376 -3.545 1.00 21.15 H new ATOM 0 HB3 PRO A 58 -1.866 -11.848 -4.437 1.00 21.15 H new ATOM 0 HG2 PRO A 58 0.643 -13.094 -4.616 1.00 13.33 H new ATOM 0 HG3 PRO A 58 -0.680 -13.310 -5.745 1.00 13.33 H new ATOM 0 HD2 PRO A 58 1.792 -11.644 -6.036 1.00 35.31 H new ATOM 0 HD3 PRO A 58 0.842 -12.438 -7.277 1.00 35.31 H new ATOM 906 N HIS A 59 1.200 -8.771 -4.864 1.00 31.33 N ATOM 907 CA HIS A 59 2.006 -7.770 -4.127 1.00 55.14 C ATOM 908 C HIS A 59 1.809 -6.355 -4.716 1.00 3.05 C ATOM 909 O HIS A 59 1.793 -6.174 -5.934 1.00 5.12 O ATOM 910 CB HIS A 59 3.508 -8.159 -4.159 1.00 11.50 C ATOM 911 CG HIS A 59 3.797 -9.524 -3.591 1.00 71.24 C ATOM 912 ND1 HIS A 59 4.119 -9.739 -2.269 1.00 43.24 N ATOM 913 CD2 HIS A 59 3.826 -10.747 -4.176 1.00 12.24 C ATOM 914 CE1 HIS A 59 4.330 -11.020 -2.072 1.00 54.02 C ATOM 915 NE2 HIS A 59 4.160 -11.652 -3.207 1.00 0.40 N ATOM 0 H HIS A 59 1.707 -9.220 -5.627 1.00 31.33 H new ATOM 0 HA HIS A 59 1.665 -7.758 -3.092 1.00 55.14 H new ATOM 0 HB2 HIS A 59 3.861 -8.123 -5.190 1.00 11.50 H new ATOM 0 HB3 HIS A 59 4.078 -7.416 -3.601 1.00 11.50 H new ATOM 0 HD2 HIS A 59 3.623 -10.966 -5.214 1.00 12.24 H new ATOM 0 HE1 HIS A 59 4.599 -11.477 -1.131 1.00 54.02 H new ATOM 0 HE2 HIS A 59 4.261 -12.658 -3.346 1.00 0.40 H new ATOM 924 N ARG A 60 1.658 -5.376 -3.829 1.00 60.53 N ATOM 925 CA ARG A 60 1.504 -3.943 -4.171 1.00 64.24 C ATOM 926 C ARG A 60 2.426 -3.103 -3.268 1.00 32.42 C ATOM 927 O ARG A 60 2.640 -3.452 -2.103 1.00 63.15 O ATOM 928 CB ARG A 60 0.028 -3.499 -3.972 1.00 11.04 C ATOM 929 CG ARG A 60 -0.971 -3.969 -5.055 1.00 62.43 C ATOM 930 CD ARG A 60 -0.824 -3.201 -6.395 1.00 42.22 C ATOM 931 NE ARG A 60 -2.132 -2.997 -7.058 1.00 10.34 N ATOM 932 CZ ARG A 60 -2.338 -2.857 -8.353 1.00 31.24 C ATOM 933 NH1 ARG A 60 -1.406 -3.088 -9.212 1.00 24.40 N ATOM 934 NH2 ARG A 60 -3.506 -2.515 -8.776 1.00 13.24 N ATOM 0 H ARG A 60 1.637 -5.549 -2.824 1.00 60.53 H new ATOM 0 HA ARG A 60 1.777 -3.793 -5.215 1.00 64.24 H new ATOM 0 HB2 ARG A 60 -0.315 -3.867 -3.005 1.00 11.04 H new ATOM 0 HB3 ARG A 60 -0.001 -2.410 -3.927 1.00 11.04 H new ATOM 0 HG2 ARG A 60 -0.826 -5.034 -5.236 1.00 62.43 H new ATOM 0 HG3 ARG A 60 -1.987 -3.844 -4.682 1.00 62.43 H new ATOM 0 HD2 ARG A 60 -0.355 -2.234 -6.210 1.00 42.22 H new ATOM 0 HD3 ARG A 60 -0.162 -3.755 -7.060 1.00 42.22 H new ATOM 0 HE ARG A 60 -2.954 -2.961 -6.455 1.00 10.34 H new ATOM 0 HH11 ARG A 60 -0.483 -3.387 -8.896 1.00 24.40 H new ATOM 0 HH12 ARG A 60 -1.591 -2.972 -10.208 1.00 24.40 H new ATOM 0 HH21 ARG A 60 -4.263 -2.355 -8.111 1.00 13.24 H new ATOM 0 HH22 ARG A 60 -3.674 -2.404 -9.776 1.00 13.24 H new ATOM 948 N ARG A 61 2.961 -1.996 -3.811 1.00 34.43 N ATOM 949 CA ARG A 61 3.821 -1.061 -3.046 1.00 42.41 C ATOM 950 C ARG A 61 3.793 0.373 -3.637 1.00 41.23 C ATOM 951 O ARG A 61 4.003 0.578 -4.832 1.00 52.42 O ATOM 952 CB ARG A 61 5.287 -1.594 -2.936 1.00 62.42 C ATOM 953 CG ARG A 61 5.863 -2.200 -4.235 1.00 74.14 C ATOM 954 CD ARG A 61 7.370 -2.503 -4.133 1.00 72.34 C ATOM 955 NE ARG A 61 7.895 -3.193 -5.328 1.00 74.31 N ATOM 956 CZ ARG A 61 9.116 -3.060 -5.808 1.00 33.13 C ATOM 957 NH1 ARG A 61 9.944 -2.199 -5.304 1.00 51.44 N ATOM 958 NH2 ARG A 61 9.491 -3.783 -6.807 1.00 14.51 N ATOM 0 H ARG A 61 2.815 -1.721 -4.782 1.00 34.43 H new ATOM 0 HA ARG A 61 3.407 -1.004 -2.039 1.00 42.41 H new ATOM 0 HB2 ARG A 61 5.932 -0.775 -2.618 1.00 62.42 H new ATOM 0 HB3 ARG A 61 5.324 -2.351 -2.153 1.00 62.42 H new ATOM 0 HG2 ARG A 61 5.327 -3.119 -4.471 1.00 74.14 H new ATOM 0 HG3 ARG A 61 5.691 -1.510 -5.061 1.00 74.14 H new ATOM 0 HD2 ARG A 61 7.915 -1.570 -3.989 1.00 72.34 H new ATOM 0 HD3 ARG A 61 7.554 -3.119 -3.253 1.00 72.34 H new ATOM 0 HE ARG A 61 7.263 -3.823 -5.822 1.00 74.31 H new ATOM 0 HH11 ARG A 61 9.655 -1.610 -4.523 1.00 51.44 H new ATOM 0 HH12 ARG A 61 10.885 -2.110 -5.689 1.00 51.44 H new ATOM 0 HH21 ARG A 61 8.844 -4.454 -7.222 1.00 14.51 H new ATOM 0 HH22 ARG A 61 10.434 -3.684 -7.182 1.00 14.51 H new ATOM 972 N LEU A 62 3.494 1.344 -2.763 1.00 40.32 N ATOM 973 CA LEU A 62 3.594 2.785 -3.046 1.00 20.35 C ATOM 974 C LEU A 62 4.964 3.288 -2.557 1.00 51.24 C ATOM 975 O LEU A 62 5.217 3.315 -1.352 1.00 53.41 O ATOM 976 CB LEU A 62 2.424 3.526 -2.323 1.00 40.20 C ATOM 977 CG LEU A 62 2.182 5.050 -2.653 1.00 62.14 C ATOM 978 CD1 LEU A 62 0.748 5.458 -2.267 1.00 23.00 C ATOM 979 CD2 LEU A 62 3.196 6.002 -1.968 1.00 32.21 C ATOM 0 H LEU A 62 3.168 1.146 -1.817 1.00 40.32 H new ATOM 0 HA LEU A 62 3.513 2.981 -4.115 1.00 20.35 H new ATOM 0 HB2 LEU A 62 1.503 2.988 -2.546 1.00 40.20 H new ATOM 0 HB3 LEU A 62 2.591 3.441 -1.249 1.00 40.20 H new ATOM 0 HG LEU A 62 2.330 5.154 -3.728 1.00 62.14 H new ATOM 0 HD11 LEU A 62 0.594 6.512 -2.500 1.00 23.00 H new ATOM 0 HD12 LEU A 62 0.035 4.855 -2.828 1.00 23.00 H new ATOM 0 HD13 LEU A 62 0.599 5.297 -1.199 1.00 23.00 H new ATOM 0 HD21 LEU A 62 2.968 7.033 -2.240 1.00 32.21 H new ATOM 0 HD22 LEU A 62 3.128 5.889 -0.886 1.00 32.21 H new ATOM 0 HD23 LEU A 62 4.206 5.755 -2.296 1.00 32.21 H new ATOM 991 N VAL A 63 5.852 3.669 -3.485 1.00 20.53 N ATOM 992 CA VAL A 63 7.154 4.267 -3.133 1.00 24.32 C ATOM 993 C VAL A 63 7.137 5.784 -3.454 1.00 21.25 C ATOM 994 O VAL A 63 6.975 6.190 -4.611 1.00 71.15 O ATOM 995 CB VAL A 63 8.348 3.550 -3.874 1.00 25.34 C ATOM 996 CG1 VAL A 63 9.719 4.104 -3.402 1.00 32.04 C ATOM 997 CG2 VAL A 63 8.269 2.011 -3.694 1.00 34.02 C ATOM 0 H VAL A 63 5.695 3.575 -4.488 1.00 20.53 H new ATOM 0 HA VAL A 63 7.314 4.129 -2.064 1.00 24.32 H new ATOM 0 HB VAL A 63 8.258 3.766 -4.939 1.00 25.34 H new ATOM 0 HG11 VAL A 63 10.521 3.590 -3.931 1.00 32.04 H new ATOM 0 HG12 VAL A 63 9.772 5.172 -3.613 1.00 32.04 H new ATOM 0 HG13 VAL A 63 9.828 3.940 -2.330 1.00 32.04 H new ATOM 0 HG21 VAL A 63 9.103 1.541 -4.214 1.00 34.02 H new ATOM 0 HG22 VAL A 63 8.318 1.766 -2.633 1.00 34.02 H new ATOM 0 HG23 VAL A 63 7.330 1.644 -4.108 1.00 34.02 H new ATOM 1007 N LEU A 64 7.258 6.608 -2.399 1.00 14.14 N ATOM 1008 CA LEU A 64 7.365 8.080 -2.496 1.00 25.44 C ATOM 1009 C LEU A 64 8.852 8.474 -2.232 1.00 32.40 C ATOM 1010 O LEU A 64 9.238 8.589 -1.069 1.00 65.24 O ATOM 1011 CB LEU A 64 6.392 8.766 -1.453 1.00 72.41 C ATOM 1012 CG LEU A 64 5.633 10.061 -1.921 1.00 74.32 C ATOM 1013 CD1 LEU A 64 6.582 11.121 -2.518 1.00 12.15 C ATOM 1014 CD2 LEU A 64 4.492 9.709 -2.899 1.00 3.53 C ATOM 0 H LEU A 64 7.285 6.268 -1.438 1.00 14.14 H new ATOM 0 HA LEU A 64 7.070 8.423 -3.488 1.00 25.44 H new ATOM 0 HB2 LEU A 64 5.648 8.029 -1.150 1.00 72.41 H new ATOM 0 HB3 LEU A 64 6.972 9.017 -0.565 1.00 72.41 H new ATOM 0 HG LEU A 64 5.192 10.510 -1.031 1.00 74.32 H new ATOM 0 HD11 LEU A 64 6.006 11.994 -2.825 1.00 12.15 H new ATOM 0 HD12 LEU A 64 7.316 11.416 -1.768 1.00 12.15 H new ATOM 0 HD13 LEU A 64 7.096 10.703 -3.384 1.00 12.15 H new ATOM 0 HD21 LEU A 64 3.983 10.622 -3.208 1.00 3.53 H new ATOM 0 HD22 LEU A 64 4.905 9.210 -3.775 1.00 3.53 H new ATOM 0 HD23 LEU A 64 3.781 9.046 -2.405 1.00 3.53 H new ATOM 1026 N PRO A 65 9.710 8.653 -3.303 1.00 32.43 N ATOM 1027 CA PRO A 65 11.176 8.926 -3.151 1.00 53.24 C ATOM 1028 C PRO A 65 11.489 10.185 -2.283 1.00 43.31 C ATOM 1029 O PRO A 65 12.116 10.076 -1.221 1.00 41.05 O ATOM 1030 CB PRO A 65 11.668 9.085 -4.625 1.00 14.11 C ATOM 1031 CG PRO A 65 10.424 9.380 -5.414 1.00 33.10 C ATOM 1032 CD PRO A 65 9.328 8.592 -4.741 1.00 11.03 C ATOM 0 HA PRO A 65 11.685 8.127 -2.613 1.00 53.24 H new ATOM 0 HB2 PRO A 65 12.394 9.893 -4.715 1.00 14.11 H new ATOM 0 HB3 PRO A 65 12.156 8.177 -4.980 1.00 14.11 H new ATOM 0 HG2 PRO A 65 10.200 10.447 -5.411 1.00 33.10 H new ATOM 0 HG3 PRO A 65 10.539 9.082 -6.456 1.00 33.10 H new ATOM 0 HD2 PRO A 65 8.347 9.033 -4.917 1.00 11.03 H new ATOM 0 HD3 PRO A 65 9.287 7.565 -5.105 1.00 11.03 H new ATOM 1040 N ALA A 66 11.039 11.366 -2.737 1.00 1.45 N ATOM 1041 CA ALA A 66 11.161 12.628 -1.978 1.00 2.33 C ATOM 1042 C ALA A 66 9.761 13.062 -1.506 1.00 40.40 C ATOM 1043 O ALA A 66 9.012 13.684 -2.272 1.00 53.25 O ATOM 1044 CB ALA A 66 11.830 13.717 -2.845 1.00 62.21 C ATOM 0 H ALA A 66 10.580 11.476 -3.641 1.00 1.45 H new ATOM 0 HA ALA A 66 11.796 12.477 -1.105 1.00 2.33 H new ATOM 0 HB1 ALA A 66 11.912 14.640 -2.271 1.00 62.21 H new ATOM 0 HB2 ALA A 66 12.825 13.385 -3.142 1.00 62.21 H new ATOM 0 HB3 ALA A 66 11.226 13.896 -3.735 1.00 62.21 H new ATOM 1050 N THR A 67 9.388 12.670 -0.265 1.00 22.31 N ATOM 1051 CA THR A 67 8.044 12.961 0.294 1.00 64.02 C ATOM 1052 C THR A 67 7.837 14.474 0.488 1.00 14.52 C ATOM 1053 O THR A 67 8.617 15.133 1.172 1.00 35.54 O ATOM 1054 CB THR A 67 7.782 12.225 1.654 1.00 24.45 C ATOM 1055 OG1 THR A 67 8.154 10.840 1.534 1.00 33.22 O ATOM 1056 CG2 THR A 67 6.298 12.303 2.076 1.00 30.44 C ATOM 0 H THR A 67 9.997 12.152 0.368 1.00 22.31 H new ATOM 0 HA THR A 67 7.328 12.585 -0.437 1.00 64.02 H new ATOM 0 HB THR A 67 8.383 12.722 2.415 1.00 24.45 H new ATOM 0 HG1 THR A 67 9.103 10.736 1.754 1.00 33.22 H new ATOM 0 HG21 THR A 67 6.161 11.781 3.023 1.00 30.44 H new ATOM 0 HG22 THR A 67 6.007 13.347 2.192 1.00 30.44 H new ATOM 0 HG23 THR A 67 5.677 11.836 1.311 1.00 30.44 H new ATOM 1064 N GLN A 68 6.797 15.009 -0.154 1.00 44.42 N ATOM 1065 CA GLN A 68 6.424 16.433 -0.058 1.00 24.02 C ATOM 1066 C GLN A 68 5.264 16.607 0.974 1.00 53.44 C ATOM 1067 O GLN A 68 4.565 15.626 1.274 1.00 22.14 O ATOM 1068 CB GLN A 68 6.032 16.940 -1.474 1.00 5.13 C ATOM 1069 CG GLN A 68 7.081 16.679 -2.573 1.00 15.30 C ATOM 1070 CD GLN A 68 6.660 17.213 -3.948 1.00 14.12 C ATOM 1071 OE1 GLN A 68 6.967 18.340 -4.318 1.00 21.42 O ATOM 1072 NE2 GLN A 68 5.917 16.426 -4.696 1.00 43.44 N ATOM 0 H GLN A 68 6.182 14.468 -0.761 1.00 44.42 H new ATOM 0 HA GLN A 68 7.263 17.030 0.299 1.00 24.02 H new ATOM 0 HB2 GLN A 68 5.095 16.466 -1.767 1.00 5.13 H new ATOM 0 HB3 GLN A 68 5.843 18.012 -1.420 1.00 5.13 H new ATOM 0 HG2 GLN A 68 8.024 17.142 -2.284 1.00 15.30 H new ATOM 0 HG3 GLN A 68 7.262 15.607 -2.647 1.00 15.30 H new ATOM 0 HE21 GLN A 68 5.674 15.491 -4.368 1.00 43.44 H new ATOM 0 HE22 GLN A 68 5.584 16.750 -5.604 1.00 43.44 H new ATOM 1081 N PRO A 69 5.037 17.845 1.544 1.00 10.43 N ATOM 1082 CA PRO A 69 3.996 18.080 2.595 1.00 64.25 C ATOM 1083 C PRO A 69 2.560 17.643 2.170 1.00 51.42 C ATOM 1084 O PRO A 69 1.870 16.950 2.923 1.00 30.51 O ATOM 1085 CB PRO A 69 4.081 19.613 2.861 1.00 13.50 C ATOM 1086 CG PRO A 69 4.802 20.173 1.668 1.00 70.15 C ATOM 1087 CD PRO A 69 5.775 19.104 1.244 1.00 15.43 C ATOM 0 HA PRO A 69 4.185 17.476 3.482 1.00 64.25 H new ATOM 0 HB2 PRO A 69 3.089 20.052 2.965 1.00 13.50 H new ATOM 0 HB3 PRO A 69 4.621 19.824 3.784 1.00 13.50 H new ATOM 0 HG2 PRO A 69 4.105 20.410 0.864 1.00 70.15 H new ATOM 0 HG3 PRO A 69 5.321 21.097 1.922 1.00 70.15 H new ATOM 0 HD2 PRO A 69 6.026 19.183 0.186 1.00 15.43 H new ATOM 0 HD3 PRO A 69 6.711 19.166 1.799 1.00 15.43 H new ATOM 1095 N SER A 70 2.136 18.018 0.951 1.00 51.01 N ATOM 1096 CA SER A 70 0.784 17.682 0.436 1.00 43.31 C ATOM 1097 C SER A 70 0.752 16.306 -0.286 1.00 3.44 C ATOM 1098 O SER A 70 -0.309 15.883 -0.742 1.00 71.31 O ATOM 1099 CB SER A 70 0.274 18.805 -0.497 1.00 32.42 C ATOM 1100 OG SER A 70 0.223 20.056 0.183 1.00 21.10 O ATOM 0 H SER A 70 2.706 18.555 0.298 1.00 51.01 H new ATOM 0 HA SER A 70 0.117 17.602 1.295 1.00 43.31 H new ATOM 0 HB2 SER A 70 0.929 18.886 -1.365 1.00 32.42 H new ATOM 0 HB3 SER A 70 -0.718 18.550 -0.869 1.00 32.42 H new ATOM 0 HG SER A 70 -0.101 20.749 -0.430 1.00 21.10 H new ATOM 1106 N ASP A 71 1.915 15.608 -0.377 1.00 71.31 N ATOM 1107 CA ASP A 71 1.998 14.214 -0.918 1.00 73.22 C ATOM 1108 C ASP A 71 1.699 13.147 0.172 1.00 21.33 C ATOM 1109 O ASP A 71 1.645 11.949 -0.123 1.00 22.51 O ATOM 1110 CB ASP A 71 3.384 13.957 -1.583 1.00 63.11 C ATOM 1111 CG ASP A 71 3.562 14.683 -2.935 1.00 72.50 C ATOM 1112 OD1 ASP A 71 3.225 15.886 -3.028 1.00 34.15 O ATOM 1113 OD2 ASP A 71 4.046 14.060 -3.909 1.00 43.03 O ATOM 0 H ASP A 71 2.815 15.986 -0.082 1.00 71.31 H new ATOM 0 HA ASP A 71 1.227 14.118 -1.682 1.00 73.22 H new ATOM 0 HB2 ASP A 71 4.171 14.278 -0.901 1.00 63.11 H new ATOM 0 HB3 ASP A 71 3.512 12.885 -1.735 1.00 63.11 H new ATOM 1118 N GLY A 72 1.493 13.603 1.420 1.00 44.33 N ATOM 1119 CA GLY A 72 1.053 12.734 2.528 1.00 53.22 C ATOM 1120 C GLY A 72 -0.473 12.685 2.671 1.00 23.24 C ATOM 1121 O GLY A 72 -1.198 13.234 1.839 1.00 4.55 O ATOM 0 H GLY A 72 1.626 14.578 1.689 1.00 44.33 H new ATOM 0 HA2 GLY A 72 1.431 11.725 2.365 1.00 53.22 H new ATOM 0 HA3 GLY A 72 1.490 13.092 3.460 1.00 53.22 H new ATOM 1125 N GLY A 73 -0.961 12.013 3.723 1.00 70.13 N ATOM 1126 CA GLY A 73 -2.406 11.934 4.020 1.00 53.03 C ATOM 1127 C GLY A 73 -2.853 10.534 4.436 1.00 32.41 C ATOM 1128 O GLY A 73 -2.029 9.708 4.825 1.00 12.51 O ATOM 0 H GLY A 73 -0.374 11.511 4.390 1.00 70.13 H new ATOM 0 HA2 GLY A 73 -2.647 12.638 4.816 1.00 53.03 H new ATOM 0 HA3 GLY A 73 -2.970 12.243 3.140 1.00 53.03 H new ATOM 1132 N GLU A 74 -4.164 10.255 4.349 1.00 15.15 N ATOM 1133 CA GLU A 74 -4.734 8.946 4.740 1.00 24.31 C ATOM 1134 C GLU A 74 -4.967 8.071 3.495 1.00 75.25 C ATOM 1135 O GLU A 74 -5.930 8.264 2.750 1.00 25.00 O ATOM 1136 CB GLU A 74 -6.047 9.142 5.544 1.00 70.13 C ATOM 1137 CG GLU A 74 -5.836 9.753 6.952 1.00 74.15 C ATOM 1138 CD GLU A 74 -7.144 10.033 7.710 1.00 53.30 C ATOM 1139 OE1 GLU A 74 -7.983 9.115 7.822 1.00 22.13 O ATOM 1140 OE2 GLU A 74 -7.351 11.178 8.177 1.00 52.55 O ATOM 0 H GLU A 74 -4.857 10.921 4.009 1.00 15.15 H new ATOM 0 HA GLU A 74 -4.022 8.432 5.385 1.00 24.31 H new ATOM 0 HB2 GLU A 74 -6.717 9.787 4.975 1.00 70.13 H new ATOM 0 HB3 GLU A 74 -6.545 8.178 5.648 1.00 70.13 H new ATOM 0 HG2 GLU A 74 -5.222 9.074 7.544 1.00 74.15 H new ATOM 0 HG3 GLU A 74 -5.278 10.684 6.854 1.00 74.15 H new ATOM 1147 N PHE A 75 -4.058 7.114 3.286 1.00 43.55 N ATOM 1148 CA PHE A 75 -4.071 6.201 2.134 1.00 41.52 C ATOM 1149 C PHE A 75 -4.905 4.934 2.437 1.00 64.03 C ATOM 1150 O PHE A 75 -4.972 4.482 3.580 1.00 12.34 O ATOM 1151 CB PHE A 75 -2.615 5.815 1.757 1.00 2.52 C ATOM 1152 CG PHE A 75 -1.748 6.996 1.297 1.00 54.04 C ATOM 1153 CD1 PHE A 75 -1.172 7.873 2.216 1.00 22.24 C ATOM 1154 CD2 PHE A 75 -1.509 7.225 -0.057 1.00 34.41 C ATOM 1155 CE1 PHE A 75 -0.387 8.934 1.796 1.00 41.41 C ATOM 1156 CE2 PHE A 75 -0.724 8.286 -0.473 1.00 53.40 C ATOM 1157 CZ PHE A 75 -0.164 9.139 0.451 1.00 41.05 C ATOM 0 H PHE A 75 -3.278 6.947 3.922 1.00 43.55 H new ATOM 0 HA PHE A 75 -4.537 6.712 1.291 1.00 41.52 H new ATOM 0 HB2 PHE A 75 -2.141 5.345 2.619 1.00 2.52 H new ATOM 0 HB3 PHE A 75 -2.643 5.069 0.963 1.00 2.52 H new ATOM 0 HD1 PHE A 75 -1.341 7.722 3.272 1.00 22.24 H new ATOM 0 HD2 PHE A 75 -1.943 6.564 -0.793 1.00 34.41 H new ATOM 0 HE1 PHE A 75 0.051 9.602 2.523 1.00 41.41 H new ATOM 0 HE2 PHE A 75 -0.550 8.445 -1.527 1.00 53.40 H new ATOM 0 HZ PHE A 75 0.448 9.966 0.123 1.00 41.05 H new ATOM 1167 N GLN A 76 -5.541 4.372 1.393 1.00 41.02 N ATOM 1168 CA GLN A 76 -6.403 3.176 1.516 1.00 15.32 C ATOM 1169 C GLN A 76 -6.171 2.204 0.340 1.00 35.31 C ATOM 1170 O GLN A 76 -6.194 2.603 -0.820 1.00 75.42 O ATOM 1171 CB GLN A 76 -7.899 3.588 1.571 1.00 21.50 C ATOM 1172 CG GLN A 76 -8.879 2.409 1.785 1.00 13.12 C ATOM 1173 CD GLN A 76 -10.353 2.805 1.693 1.00 3.33 C ATOM 1174 OE1 GLN A 76 -10.721 3.722 0.971 1.00 4.53 O ATOM 1175 NE2 GLN A 76 -11.208 2.115 2.417 1.00 42.22 N ATOM 0 H GLN A 76 -5.474 4.731 0.441 1.00 41.02 H new ATOM 0 HA GLN A 76 -6.139 2.668 2.443 1.00 15.32 H new ATOM 0 HB2 GLN A 76 -8.035 4.309 2.377 1.00 21.50 H new ATOM 0 HB3 GLN A 76 -8.158 4.096 0.642 1.00 21.50 H new ATOM 0 HG2 GLN A 76 -8.673 1.638 1.042 1.00 13.12 H new ATOM 0 HG3 GLN A 76 -8.692 1.967 2.764 1.00 13.12 H new ATOM 0 HE21 GLN A 76 -10.876 1.355 3.011 1.00 42.22 H new ATOM 0 HE22 GLN A 76 -12.202 2.340 2.384 1.00 42.22 H new ATOM 1184 N CYS A 77 -5.965 0.925 0.662 1.00 72.12 N ATOM 1185 CA CYS A 77 -5.784 -0.150 -0.330 1.00 32.41 C ATOM 1186 C CYS A 77 -7.051 -1.020 -0.431 1.00 25.41 C ATOM 1187 O CYS A 77 -7.254 -1.896 0.395 1.00 5.50 O ATOM 1188 CB CYS A 77 -4.569 -0.999 0.085 1.00 32.34 C ATOM 1189 SG CYS A 77 -3.014 -0.109 -0.001 1.00 23.24 S ATOM 0 H CYS A 77 -5.918 0.598 1.627 1.00 72.12 H new ATOM 0 HA CYS A 77 -5.609 0.284 -1.314 1.00 32.41 H new ATOM 0 HB2 CYS A 77 -4.717 -1.359 1.103 1.00 32.34 H new ATOM 0 HB3 CYS A 77 -4.512 -1.877 -0.558 1.00 32.34 H new ATOM 0 HG CYS A 77 -2.975 0.591 -1.096 1.00 23.24 H new ATOM 1195 N VAL A 78 -7.912 -0.775 -1.439 1.00 3.43 N ATOM 1196 CA VAL A 78 -9.174 -1.547 -1.608 1.00 12.13 C ATOM 1197 C VAL A 78 -8.966 -2.750 -2.555 1.00 43.51 C ATOM 1198 O VAL A 78 -8.808 -2.577 -3.768 1.00 74.12 O ATOM 1199 CB VAL A 78 -10.359 -0.652 -2.134 1.00 44.24 C ATOM 1200 CG1 VAL A 78 -11.680 -1.465 -2.260 1.00 43.01 C ATOM 1201 CG2 VAL A 78 -10.553 0.587 -1.230 1.00 4.04 C ATOM 0 H VAL A 78 -7.764 -0.056 -2.147 1.00 3.43 H new ATOM 0 HA VAL A 78 -9.447 -1.913 -0.618 1.00 12.13 H new ATOM 0 HB VAL A 78 -10.094 -0.307 -3.133 1.00 44.24 H new ATOM 0 HG11 VAL A 78 -12.474 -0.814 -2.625 1.00 43.01 H new ATOM 0 HG12 VAL A 78 -11.535 -2.289 -2.959 1.00 43.01 H new ATOM 0 HG13 VAL A 78 -11.957 -1.863 -1.284 1.00 43.01 H new ATOM 0 HG21 VAL A 78 -11.376 1.191 -1.612 1.00 4.04 H new ATOM 0 HG22 VAL A 78 -10.781 0.264 -0.214 1.00 4.04 H new ATOM 0 HG23 VAL A 78 -9.639 1.181 -1.226 1.00 4.04 H new ATOM 1211 N ALA A 79 -8.954 -3.960 -1.978 1.00 53.30 N ATOM 1212 CA ALA A 79 -8.867 -5.231 -2.735 1.00 53.51 C ATOM 1213 C ALA A 79 -10.230 -5.616 -3.348 1.00 63.32 C ATOM 1214 O ALA A 79 -10.300 -6.146 -4.462 1.00 24.13 O ATOM 1215 CB ALA A 79 -8.379 -6.343 -1.804 1.00 20.12 C ATOM 0 H ALA A 79 -9.004 -4.092 -0.968 1.00 53.30 H new ATOM 0 HA ALA A 79 -8.160 -5.097 -3.554 1.00 53.51 H new ATOM 0 HB1 ALA A 79 -8.314 -7.279 -2.358 1.00 20.12 H new ATOM 0 HB2 ALA A 79 -7.395 -6.084 -1.412 1.00 20.12 H new ATOM 0 HB3 ALA A 79 -9.080 -6.459 -0.977 1.00 20.12 H new ATOM 1221 N GLY A 80 -11.301 -5.357 -2.582 1.00 61.21 N ATOM 1222 CA GLY A 80 -12.674 -5.683 -2.988 1.00 74.24 C ATOM 1223 C GLY A 80 -13.640 -5.445 -1.834 1.00 65.21 C ATOM 1224 O GLY A 80 -14.064 -4.307 -1.601 1.00 31.25 O ATOM 0 H GLY A 80 -11.238 -4.916 -1.664 1.00 61.21 H new ATOM 0 HA2 GLY A 80 -12.962 -5.072 -3.843 1.00 74.24 H new ATOM 0 HA3 GLY A 80 -12.728 -6.724 -3.307 1.00 74.24 H new ATOM 1228 N ASP A 81 -13.966 -6.519 -1.091 1.00 13.21 N ATOM 1229 CA ASP A 81 -14.687 -6.420 0.199 1.00 52.53 C ATOM 1230 C ASP A 81 -13.724 -5.948 1.320 1.00 52.02 C ATOM 1231 O ASP A 81 -14.141 -5.332 2.303 1.00 32.01 O ATOM 1232 CB ASP A 81 -15.336 -7.786 0.564 1.00 23.22 C ATOM 1233 CG ASP A 81 -14.318 -8.941 0.716 1.00 72.21 C ATOM 1234 OD1 ASP A 81 -13.787 -9.412 -0.316 1.00 25.23 O ATOM 1235 OD2 ASP A 81 -14.062 -9.397 1.855 1.00 3.05 O ATOM 0 H ASP A 81 -13.740 -7.476 -1.363 1.00 13.21 H new ATOM 0 HA ASP A 81 -15.483 -5.682 0.100 1.00 52.53 H new ATOM 0 HB2 ASP A 81 -15.889 -7.677 1.497 1.00 23.22 H new ATOM 0 HB3 ASP A 81 -16.060 -8.051 -0.207 1.00 23.22 H new ATOM 1240 N GLU A 82 -12.428 -6.248 1.133 1.00 2.12 N ATOM 1241 CA GLU A 82 -11.341 -5.884 2.067 1.00 53.40 C ATOM 1242 C GLU A 82 -10.658 -4.559 1.666 1.00 2.35 C ATOM 1243 O GLU A 82 -10.517 -4.253 0.476 1.00 35.13 O ATOM 1244 CB GLU A 82 -10.303 -7.034 2.097 1.00 14.33 C ATOM 1245 CG GLU A 82 -10.813 -8.331 2.759 1.00 34.44 C ATOM 1246 CD GLU A 82 -10.792 -8.292 4.300 1.00 32.25 C ATOM 1247 OE1 GLU A 82 -11.730 -7.741 4.913 1.00 4.21 O ATOM 1248 OE2 GLU A 82 -9.823 -8.817 4.895 1.00 2.43 O ATOM 0 H GLU A 82 -12.097 -6.759 0.315 1.00 2.12 H new ATOM 0 HA GLU A 82 -11.770 -5.736 3.058 1.00 53.40 H new ATOM 0 HB2 GLU A 82 -9.996 -7.258 1.075 1.00 14.33 H new ATOM 0 HB3 GLU A 82 -9.415 -6.693 2.629 1.00 14.33 H new ATOM 0 HG2 GLU A 82 -11.832 -8.523 2.423 1.00 34.44 H new ATOM 0 HG3 GLU A 82 -10.202 -9.167 2.417 1.00 34.44 H new ATOM 1255 N CYS A 83 -10.222 -3.789 2.689 1.00 41.50 N ATOM 1256 CA CYS A 83 -9.485 -2.523 2.497 1.00 74.23 C ATOM 1257 C CYS A 83 -8.514 -2.253 3.674 1.00 72.13 C ATOM 1258 O CYS A 83 -8.919 -2.265 4.842 1.00 42.21 O ATOM 1259 CB CYS A 83 -10.466 -1.339 2.316 1.00 33.10 C ATOM 1260 SG CYS A 83 -11.598 -1.073 3.697 1.00 63.54 S ATOM 0 H CYS A 83 -10.372 -4.029 3.669 1.00 41.50 H new ATOM 0 HA CYS A 83 -8.890 -2.620 1.589 1.00 74.23 H new ATOM 0 HB2 CYS A 83 -9.888 -0.428 2.158 1.00 33.10 H new ATOM 0 HB3 CYS A 83 -11.052 -1.506 1.412 1.00 33.10 H new ATOM 0 HG CYS A 83 -11.025 -1.440 4.805 1.00 63.54 H new ATOM 1266 N ALA A 84 -7.228 -1.998 3.343 1.00 34.45 N ATOM 1267 CA ALA A 84 -6.167 -1.665 4.324 1.00 44.55 C ATOM 1268 C ALA A 84 -6.046 -0.137 4.483 1.00 53.51 C ATOM 1269 O ALA A 84 -6.442 0.614 3.589 1.00 62.43 O ATOM 1270 CB ALA A 84 -4.826 -2.267 3.866 1.00 0.14 C ATOM 0 H ALA A 84 -6.893 -2.017 2.380 1.00 34.45 H new ATOM 0 HA ALA A 84 -6.432 -2.090 5.292 1.00 44.55 H new ATOM 0 HB1 ALA A 84 -4.050 -2.019 4.590 1.00 0.14 H new ATOM 0 HB2 ALA A 84 -4.920 -3.350 3.791 1.00 0.14 H new ATOM 0 HB3 ALA A 84 -4.557 -1.858 2.892 1.00 0.14 H new ATOM 1276 N TYR A 85 -5.505 0.322 5.626 1.00 54.33 N ATOM 1277 CA TYR A 85 -5.413 1.770 5.950 1.00 72.35 C ATOM 1278 C TYR A 85 -3.976 2.166 6.349 1.00 42.11 C ATOM 1279 O TYR A 85 -3.296 1.432 7.066 1.00 43.11 O ATOM 1280 CB TYR A 85 -6.405 2.131 7.086 1.00 12.51 C ATOM 1281 CG TYR A 85 -7.880 1.883 6.718 1.00 1.14 C ATOM 1282 CD1 TYR A 85 -8.556 2.739 5.840 1.00 4.51 C ATOM 1283 CD2 TYR A 85 -8.588 0.789 7.231 1.00 31.45 C ATOM 1284 CE1 TYR A 85 -9.874 2.514 5.497 1.00 53.32 C ATOM 1285 CE2 TYR A 85 -9.905 0.566 6.885 1.00 73.44 C ATOM 1286 CZ TYR A 85 -10.543 1.432 6.022 1.00 34.14 C ATOM 1287 OH TYR A 85 -11.860 1.214 5.681 1.00 24.22 O ATOM 0 H TYR A 85 -5.121 -0.287 6.348 1.00 54.33 H new ATOM 0 HA TYR A 85 -5.679 2.331 5.054 1.00 72.35 H new ATOM 0 HB2 TYR A 85 -6.157 1.547 7.973 1.00 12.51 H new ATOM 0 HB3 TYR A 85 -6.276 3.181 7.349 1.00 12.51 H new ATOM 0 HD1 TYR A 85 -8.037 3.590 5.424 1.00 4.51 H new ATOM 0 HD2 TYR A 85 -8.095 0.108 7.909 1.00 31.45 H new ATOM 0 HE1 TYR A 85 -10.379 3.185 4.818 1.00 53.32 H new ATOM 0 HE2 TYR A 85 -10.435 -0.284 7.289 1.00 73.44 H new ATOM 0 HH TYR A 85 -11.901 0.705 4.845 1.00 24.22 H new ATOM 1297 N PHE A 86 -3.533 3.336 5.853 1.00 21.52 N ATOM 1298 CA PHE A 86 -2.218 3.932 6.164 1.00 41.31 C ATOM 1299 C PHE A 86 -2.411 5.426 6.513 1.00 62.21 C ATOM 1300 O PHE A 86 -2.730 6.221 5.629 1.00 30.35 O ATOM 1301 CB PHE A 86 -1.246 3.827 4.945 1.00 4.52 C ATOM 1302 CG PHE A 86 -1.013 2.417 4.398 1.00 51.34 C ATOM 1303 CD1 PHE A 86 -1.847 1.879 3.414 1.00 25.44 C ATOM 1304 CD2 PHE A 86 0.044 1.630 4.862 1.00 41.40 C ATOM 1305 CE1 PHE A 86 -1.624 0.613 2.910 1.00 60.04 C ATOM 1306 CE2 PHE A 86 0.264 0.364 4.353 1.00 73.21 C ATOM 1307 CZ PHE A 86 -0.573 -0.145 3.381 1.00 4.21 C ATOM 0 H PHE A 86 -4.088 3.905 5.213 1.00 21.52 H new ATOM 0 HA PHE A 86 -1.786 3.388 7.004 1.00 41.31 H new ATOM 0 HB2 PHE A 86 -1.636 4.449 4.139 1.00 4.52 H new ATOM 0 HB3 PHE A 86 -0.283 4.247 5.235 1.00 4.52 H new ATOM 0 HD1 PHE A 86 -2.677 2.461 3.043 1.00 25.44 H new ATOM 0 HD2 PHE A 86 0.698 2.016 5.629 1.00 41.40 H new ATOM 0 HE1 PHE A 86 -2.274 0.216 2.145 1.00 60.04 H new ATOM 0 HE2 PHE A 86 1.092 -0.227 4.716 1.00 73.21 H new ATOM 0 HZ PHE A 86 -0.405 -1.137 2.989 1.00 4.21 H new ATOM 1317 N THR A 87 -2.214 5.821 7.782 1.00 51.13 N ATOM 1318 CA THR A 87 -2.260 7.251 8.169 1.00 43.32 C ATOM 1319 C THR A 87 -0.838 7.842 8.106 1.00 21.25 C ATOM 1320 O THR A 87 -0.036 7.676 9.028 1.00 54.22 O ATOM 1321 CB THR A 87 -2.883 7.452 9.596 1.00 52.13 C ATOM 1322 OG1 THR A 87 -4.229 6.944 9.613 1.00 14.14 O ATOM 1323 CG2 THR A 87 -2.896 8.935 10.040 1.00 4.21 C ATOM 0 H THR A 87 -2.023 5.182 8.554 1.00 51.13 H new ATOM 0 HA THR A 87 -2.906 7.777 7.465 1.00 43.32 H new ATOM 0 HB THR A 87 -2.254 6.904 10.298 1.00 52.13 H new ATOM 0 HG1 THR A 87 -4.615 7.069 10.505 1.00 14.14 H new ATOM 0 HG21 THR A 87 -3.338 9.014 11.033 1.00 4.21 H new ATOM 0 HG22 THR A 87 -1.875 9.316 10.065 1.00 4.21 H new ATOM 0 HG23 THR A 87 -3.485 9.521 9.334 1.00 4.21 H new ATOM 1331 N VAL A 88 -0.537 8.530 6.995 1.00 52.41 N ATOM 1332 CA VAL A 88 0.769 9.169 6.752 1.00 1.23 C ATOM 1333 C VAL A 88 0.681 10.671 7.102 1.00 31.33 C ATOM 1334 O VAL A 88 0.124 11.467 6.341 1.00 34.11 O ATOM 1335 CB VAL A 88 1.225 8.970 5.253 1.00 5.51 C ATOM 1336 CG1 VAL A 88 2.571 9.682 4.947 1.00 33.15 C ATOM 1337 CG2 VAL A 88 1.292 7.461 4.899 1.00 14.41 C ATOM 0 H VAL A 88 -1.199 8.661 6.230 1.00 52.41 H new ATOM 0 HA VAL A 88 1.517 8.697 7.389 1.00 1.23 H new ATOM 0 HB VAL A 88 0.473 9.440 4.619 1.00 5.51 H new ATOM 0 HG11 VAL A 88 2.842 9.516 3.904 1.00 33.15 H new ATOM 0 HG12 VAL A 88 2.466 10.752 5.129 1.00 33.15 H new ATOM 0 HG13 VAL A 88 3.351 9.279 5.593 1.00 33.15 H new ATOM 0 HG21 VAL A 88 1.608 7.344 3.862 1.00 14.41 H new ATOM 0 HG22 VAL A 88 2.008 6.965 5.555 1.00 14.41 H new ATOM 0 HG23 VAL A 88 0.307 7.012 5.031 1.00 14.41 H new ATOM 1347 N THR A 89 1.213 11.041 8.276 1.00 32.14 N ATOM 1348 CA THR A 89 1.203 12.441 8.764 1.00 52.25 C ATOM 1349 C THR A 89 2.616 13.049 8.642 1.00 0.31 C ATOM 1350 O THR A 89 3.565 12.548 9.261 1.00 5.20 O ATOM 1351 CB THR A 89 0.705 12.523 10.251 1.00 61.01 C ATOM 1352 OG1 THR A 89 -0.544 11.813 10.381 1.00 33.45 O ATOM 1353 CG2 THR A 89 0.501 13.984 10.725 1.00 24.31 C ATOM 0 H THR A 89 1.662 10.387 8.917 1.00 32.14 H new ATOM 0 HA THR A 89 0.509 13.012 8.147 1.00 52.25 H new ATOM 0 HB THR A 89 1.476 12.071 10.875 1.00 61.01 H new ATOM 0 HG1 THR A 89 -0.854 11.863 11.309 1.00 33.45 H new ATOM 0 HG21 THR A 89 0.156 13.986 11.759 1.00 24.31 H new ATOM 0 HG22 THR A 89 1.445 14.524 10.656 1.00 24.31 H new ATOM 0 HG23 THR A 89 -0.242 14.471 10.094 1.00 24.31 H new ATOM 1361 N ILE A 90 2.749 14.122 7.834 1.00 61.32 N ATOM 1362 CA ILE A 90 4.052 14.790 7.578 1.00 2.34 C ATOM 1363 C ILE A 90 4.551 15.571 8.820 1.00 63.12 C ATOM 1364 O ILE A 90 3.759 16.129 9.590 1.00 43.13 O ATOM 1365 CB ILE A 90 3.984 15.763 6.334 1.00 22.14 C ATOM 1366 CG1 ILE A 90 3.383 15.051 5.076 1.00 40.13 C ATOM 1367 CG2 ILE A 90 5.379 16.358 6.006 1.00 31.30 C ATOM 1368 CD1 ILE A 90 4.147 13.848 4.571 1.00 55.32 C ATOM 0 H ILE A 90 1.965 14.551 7.342 1.00 61.32 H new ATOM 0 HA ILE A 90 4.762 13.994 7.356 1.00 2.34 H new ATOM 0 HB ILE A 90 3.318 16.582 6.606 1.00 22.14 H new ATOM 0 HG12 ILE A 90 2.365 14.739 5.311 1.00 40.13 H new ATOM 0 HG13 ILE A 90 3.315 15.779 4.268 1.00 40.13 H new ATOM 0 HG21 ILE A 90 5.298 17.023 5.146 1.00 31.30 H new ATOM 0 HG22 ILE A 90 5.746 16.919 6.865 1.00 31.30 H new ATOM 0 HG23 ILE A 90 6.074 15.550 5.776 1.00 31.30 H new ATOM 0 HD11 ILE A 90 3.641 13.436 3.698 1.00 55.32 H new ATOM 0 HD12 ILE A 90 5.158 14.148 4.296 1.00 55.32 H new ATOM 0 HD13 ILE A 90 4.194 13.092 5.354 1.00 55.32 H new