USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 700 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 40 THR OG1 : rot -62:sc= 0.834 USER MOD Set 1.2: A 78 SER OG : rot 160:sc= 0.942 USER MOD Set 2.1: A 26 THR OG1 : rot -170:sc= 0.711 USER MOD Set 2.2: A 28 SER OG : rot -58:sc= 0.797 USER MOD Set 2.3: A 29 SER OG : rot 172:sc= 0.88 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0.931 (180deg=0.931) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= 1.27 (180deg=0.74) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -63:sc= 0.972 USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0.956 (180deg=0.904) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.814 K(o=0.81,f=-2.9!) USER MOD Single : A 39 ASN : amide:sc=-0.00321 K(o=-0.0032,f=0.97) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -133:sc= -0.0476 (180deg=-1.53) USER MOD Single : A 46 GLN : amide:sc= 0.843 K(o=0.84,f=-0.016) USER MOD Single : A 48 TYR OH : rot -18:sc= 0.987 USER MOD Single : A 49 TYR OH : rot 120:sc= 0.952 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0627 K(o=-0.063,f=-2) USER MOD Single : A 62 ASN : amide:sc= 1.14 K(o=1.1,f=-5.8!) USER MOD Single : A 64 TYR OH : rot 90:sc= 0.844 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 70 SER OG : rot 61:sc= 0.737 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0296 K(o=-0.03,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.442 20.814 3.415 1.00 0.00 N ATOM 2 CA ALA A 1 -9.492 20.761 4.520 1.00 0.00 C ATOM 3 C ALA A 1 -8.981 19.340 4.737 1.00 0.00 C ATOM 4 O ALA A 1 -9.767 18.407 4.901 1.00 0.00 O ATOM 5 CB ALA A 1 -10.132 21.295 5.793 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.774 21.792 3.289 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.978 20.491 2.542 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.253 20.198 3.625 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.640 21.390 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.411 21.249 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.441 22.329 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.003 20.690 6.044 1.00 0.00 H new ATOM 11 N ALA A 2 -7.662 19.184 4.735 1.00 0.00 N ATOM 12 CA ALA A 2 -7.047 17.880 4.950 1.00 0.00 C ATOM 13 C ALA A 2 -6.879 17.592 6.439 1.00 0.00 C ATOM 14 O ALA A 2 -6.043 18.198 7.109 1.00 0.00 O ATOM 15 CB ALA A 2 -5.703 17.807 4.242 1.00 0.00 C ATOM 0 H ALA A 2 -6.998 19.944 4.587 1.00 0.00 H new ATOM 0 HA ALA A 2 -7.707 17.121 4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.255 16.828 4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.846 17.960 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.043 18.580 4.634 1.00 0.00 H new ATOM 21 N VAL A 3 -7.680 16.662 6.950 1.00 0.00 N ATOM 22 CA VAL A 3 -7.642 16.317 8.366 1.00 0.00 C ATOM 23 C VAL A 3 -7.462 14.814 8.561 1.00 0.00 C ATOM 24 O VAL A 3 -8.379 14.033 8.317 1.00 0.00 O ATOM 25 CB VAL A 3 -8.921 16.770 9.094 1.00 0.00 C ATOM 26 CG1 VAL A 3 -8.863 16.384 10.564 1.00 0.00 C ATOM 27 CG2 VAL A 3 -9.116 18.271 8.946 1.00 0.00 C ATOM 0 H VAL A 3 -8.362 16.135 6.405 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.788 16.842 8.794 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.773 16.265 8.638 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.775 16.712 11.063 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.770 15.302 10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.002 16.861 11.032 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.025 18.573 9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.261 18.793 9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.202 18.524 7.889 1.00 0.00 H new ATOM 37 N ARG A 4 -6.271 14.421 9.002 1.00 0.00 N ATOM 38 CA ARG A 4 -5.954 13.009 9.185 1.00 0.00 C ATOM 39 C ARG A 4 -5.948 12.276 7.846 1.00 0.00 C ATOM 40 O ARG A 4 -6.064 11.052 7.796 1.00 0.00 O ATOM 41 CB ARG A 4 -6.879 12.335 10.186 1.00 0.00 C ATOM 42 CG ARG A 4 -6.893 12.967 11.569 1.00 0.00 C ATOM 43 CD ARG A 4 -7.880 12.371 12.506 1.00 0.00 C ATOM 44 NE ARG A 4 -8.041 13.096 13.755 1.00 0.00 N ATOM 45 CZ ARG A 4 -8.906 12.758 14.731 1.00 0.00 C ATOM 46 NH1 ARG A 4 -9.715 11.730 14.592 1.00 0.00 N ATOM 47 NH2 ARG A 4 -8.936 13.501 15.823 1.00 0.00 N ATOM 0 H ARG A 4 -5.511 15.059 9.239 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.950 12.955 9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.893 12.346 9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.586 11.290 10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.898 12.880 12.005 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.104 14.031 11.467 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.847 12.314 12.007 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.577 11.348 12.731 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.458 13.919 13.903 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.693 11.176 13.736 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.364 11.487 15.340 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.315 14.305 15.910 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.580 13.270 16.579 1.00 0.00 H new ATOM 61 N LYS A 5 -5.812 13.034 6.763 1.00 0.00 N ATOM 62 CA LYS A 5 -5.731 12.454 5.428 1.00 0.00 C ATOM 63 C LYS A 5 -4.296 12.467 4.914 1.00 0.00 C ATOM 64 O LYS A 5 -3.562 13.434 5.118 1.00 0.00 O ATOM 65 CB LYS A 5 -6.646 13.207 4.459 1.00 0.00 C ATOM 66 CG LYS A 5 -8.115 13.216 4.860 1.00 0.00 C ATOM 67 CD LYS A 5 -8.700 11.811 4.855 1.00 0.00 C ATOM 68 CE LYS A 5 -10.189 11.830 5.162 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.741 10.458 5.325 1.00 0.00 N ATOM 0 H LYS A 5 -5.756 14.052 6.784 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.063 11.418 5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.298 14.237 4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.555 12.759 3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.220 13.652 5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.677 13.849 4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.533 11.349 3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.183 11.197 5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.364 12.402 6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.719 12.341 4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.758 10.516 5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.597 9.919 4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.254 9.979 6.109 1.00 0.00 H new ATOM 83 N ILE A 6 -3.901 11.387 4.247 1.00 0.00 N ATOM 84 CA ILE A 6 -2.548 11.267 3.720 1.00 0.00 C ATOM 85 C ILE A 6 -2.556 10.691 2.307 1.00 0.00 C ATOM 86 O ILE A 6 -3.488 9.988 1.918 1.00 0.00 O ATOM 87 CB ILE A 6 -1.668 10.381 4.621 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.266 8.976 4.736 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.513 11.011 5.997 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.385 7.998 5.480 1.00 0.00 C ATOM 0 H ILE A 6 -4.500 10.583 4.059 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.129 12.273 3.696 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.680 10.298 4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.229 9.041 5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.458 8.590 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.888 10.372 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.045 11.991 5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.494 11.122 6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.875 7.025 5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.430 7.902 4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.214 8.361 6.493 1.00 0.00 H new ATOM 102 N HIS A 7 -1.509 10.994 1.546 1.00 0.00 N ATOM 103 CA HIS A 7 -1.293 10.349 0.255 1.00 0.00 C ATOM 104 C HIS A 7 -0.121 9.375 0.323 1.00 0.00 C ATOM 105 O HIS A 7 0.860 9.616 1.026 1.00 0.00 O ATOM 106 CB HIS A 7 -1.044 11.394 -0.839 1.00 0.00 C ATOM 107 CG HIS A 7 -2.228 12.271 -1.113 1.00 0.00 C ATOM 108 ND1 HIS A 7 -3.254 11.894 -1.952 1.00 0.00 N ATOM 109 CD2 HIS A 7 -2.545 13.506 -0.660 1.00 0.00 C ATOM 110 CE1 HIS A 7 -4.154 12.860 -2.002 1.00 0.00 C ATOM 111 NE2 HIS A 7 -3.747 13.849 -1.228 1.00 0.00 N ATOM 0 H HIS A 7 -0.798 11.680 1.800 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.195 9.790 0.006 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.200 12.019 -0.547 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.760 10.884 -1.759 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.962 14.109 0.021 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.067 12.843 -2.578 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.245 14.726 -1.076 1.00 0.00 H new ATOM 118 N VAL A 8 -0.233 8.272 -0.410 1.00 0.00 N ATOM 119 CA VAL A 8 0.835 7.279 -0.464 1.00 0.00 C ATOM 120 C VAL A 8 1.292 7.042 -1.899 1.00 0.00 C ATOM 121 O VAL A 8 0.473 6.887 -2.807 1.00 0.00 O ATOM 122 CB VAL A 8 0.392 5.940 0.152 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.517 4.918 0.070 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.043 6.135 1.597 1.00 0.00 C ATOM 0 H VAL A 8 -1.051 8.043 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 8 1.666 7.677 0.118 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.459 5.565 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.187 3.977 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.786 4.756 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.385 5.288 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.353 5.178 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.790 6.533 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.878 6.835 1.634 1.00 0.00 H new ATOM 134 N THR A 9 2.606 7.013 -2.099 1.00 0.00 N ATOM 135 CA THR A 9 3.173 6.812 -3.425 1.00 0.00 C ATOM 136 C THR A 9 3.353 5.328 -3.727 1.00 0.00 C ATOM 137 O THR A 9 4.079 4.624 -3.023 1.00 0.00 O ATOM 138 CB THR A 9 4.530 7.524 -3.574 1.00 0.00 C ATOM 139 OG1 THR A 9 4.353 8.936 -3.396 1.00 0.00 O ATOM 140 CG2 THR A 9 5.124 7.261 -4.948 1.00 0.00 C ATOM 0 H THR A 9 3.297 7.126 -1.358 1.00 0.00 H new ATOM 0 HA THR A 9 2.468 7.242 -4.136 1.00 0.00 H new ATOM 0 HB THR A 9 5.211 7.137 -2.816 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.217 9.388 -3.489 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.083 7.773 -5.034 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.271 6.189 -5.082 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.445 7.632 -5.715 1.00 0.00 H new ATOM 148 N VAL A 10 2.689 4.857 -4.777 1.00 0.00 N ATOM 149 CA VAL A 10 2.707 3.440 -5.120 1.00 0.00 C ATOM 150 C VAL A 10 3.683 3.162 -6.259 1.00 0.00 C ATOM 151 O VAL A 10 3.499 3.638 -7.379 1.00 0.00 O ATOM 152 CB VAL A 10 1.307 2.937 -5.522 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.336 1.441 -5.793 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.294 3.262 -4.435 1.00 0.00 C ATOM 0 H VAL A 10 2.132 5.436 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 10 3.032 2.905 -4.228 1.00 0.00 H new ATOM 0 HB VAL A 10 1.007 3.447 -6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.339 1.103 -6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.034 1.232 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.656 0.915 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.690 2.900 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.591 2.778 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.254 4.341 -4.286 1.00 0.00 H new ATOM 164 N LYS A 11 4.721 2.388 -5.965 1.00 0.00 N ATOM 165 CA LYS A 11 5.766 2.105 -6.943 1.00 0.00 C ATOM 166 C LYS A 11 5.630 0.689 -7.490 1.00 0.00 C ATOM 167 O LYS A 11 5.738 -0.288 -6.749 1.00 0.00 O ATOM 168 CB LYS A 11 7.150 2.300 -6.321 1.00 0.00 C ATOM 169 CG LYS A 11 7.438 3.722 -5.860 1.00 0.00 C ATOM 170 CD LYS A 11 8.834 3.839 -5.264 1.00 0.00 C ATOM 171 CE LYS A 11 9.059 5.211 -4.646 1.00 0.00 C ATOM 172 NZ LYS A 11 10.426 5.346 -4.074 1.00 0.00 N ATOM 0 H LYS A 11 4.862 1.945 -5.057 1.00 0.00 H new ATOM 0 HA LYS A 11 5.652 2.805 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.250 1.628 -5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.907 2.007 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.342 4.406 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.698 4.023 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.973 3.069 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.579 3.661 -6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.905 5.980 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.320 5.382 -3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.363 5.743 -3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.879 4.411 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.992 5.979 -4.674 1.00 0.00 H new ATOM 186 N PHE A 12 5.393 0.585 -8.795 1.00 0.00 N ATOM 187 CA PHE A 12 5.605 -0.667 -9.512 1.00 0.00 C ATOM 188 C PHE A 12 6.805 -0.561 -10.448 1.00 0.00 C ATOM 189 O PHE A 12 7.220 0.528 -10.845 1.00 0.00 O ATOM 190 CB PHE A 12 4.352 -1.052 -10.300 1.00 0.00 C ATOM 191 CG PHE A 12 3.189 -1.450 -9.435 1.00 0.00 C ATOM 192 CD1 PHE A 12 3.051 -2.755 -8.990 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.232 -0.517 -9.063 1.00 0.00 C ATOM 194 CE1 PHE A 12 1.983 -3.123 -8.196 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.164 -0.881 -8.266 1.00 0.00 C ATOM 196 CZ PHE A 12 1.038 -2.184 -7.833 1.00 0.00 C ATOM 0 H PHE A 12 5.055 1.352 -9.376 1.00 0.00 H new ATOM 0 HA PHE A 12 5.810 -1.446 -8.778 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.056 -0.211 -10.926 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.594 -1.878 -10.969 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.788 -3.494 -9.268 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.323 0.505 -9.400 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.887 -4.145 -7.859 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.427 -0.144 -7.982 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.202 -2.469 -7.211 1.00 0.00 H new ATOM 206 N PRO A 13 7.376 -1.720 -10.810 1.00 0.00 N ATOM 207 CA PRO A 13 8.504 -1.788 -11.744 1.00 0.00 C ATOM 208 C PRO A 13 8.142 -1.258 -13.128 1.00 0.00 C ATOM 209 O PRO A 13 9.006 -0.793 -13.870 1.00 0.00 O ATOM 210 CB PRO A 13 8.863 -3.277 -11.781 1.00 0.00 C ATOM 211 CG PRO A 13 7.621 -3.970 -11.337 1.00 0.00 C ATOM 212 CD PRO A 13 7.001 -3.059 -10.312 1.00 0.00 C ATOM 0 HA PRO A 13 9.339 -1.163 -11.426 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.156 -3.590 -12.783 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.700 -3.500 -11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.944 -4.138 -12.174 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.847 -4.947 -10.909 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.920 -3.184 -10.258 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.394 -3.245 -9.312 1.00 0.00 H new ATOM 220 N SER A 14 6.859 -1.334 -13.468 1.00 0.00 N ATOM 221 CA SER A 14 6.402 -0.977 -14.806 1.00 0.00 C ATOM 222 C SER A 14 5.686 0.371 -14.793 1.00 0.00 C ATOM 223 O SER A 14 5.547 1.024 -15.827 1.00 0.00 O ATOM 224 CB SER A 14 5.490 -2.057 -15.353 1.00 0.00 C ATOM 225 OG SER A 14 4.330 -2.208 -14.583 1.00 0.00 O ATOM 0 H SER A 14 6.119 -1.639 -12.836 1.00 0.00 H new ATOM 0 HA SER A 14 7.273 -0.892 -15.456 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.214 -1.812 -16.379 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.029 -3.004 -15.385 1.00 0.00 H new ATOM 0 HG SER A 14 3.769 -2.912 -14.971 1.00 0.00 H new ATOM 231 N LYS A 15 5.232 0.782 -13.613 1.00 0.00 N ATOM 232 CA LYS A 15 4.385 1.962 -13.486 1.00 0.00 C ATOM 233 C LYS A 15 4.445 2.524 -12.070 1.00 0.00 C ATOM 234 O LYS A 15 4.828 1.826 -11.131 1.00 0.00 O ATOM 235 CB LYS A 15 2.940 1.628 -13.861 1.00 0.00 C ATOM 236 CG LYS A 15 2.265 0.627 -12.934 1.00 0.00 C ATOM 237 CD LYS A 15 0.937 0.151 -13.506 1.00 0.00 C ATOM 238 CE LYS A 15 -0.103 1.261 -13.489 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.425 0.793 -13.985 1.00 0.00 N ATOM 0 H LYS A 15 5.437 0.314 -12.730 1.00 0.00 H new ATOM 0 HA LYS A 15 4.759 2.721 -14.173 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.357 2.549 -13.868 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.923 1.233 -14.877 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.923 -0.228 -12.777 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.100 1.085 -11.959 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.083 -0.197 -14.528 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.574 -0.699 -12.928 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.211 1.641 -12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.242 2.091 -14.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.105 1.580 -13.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.328 0.454 -14.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.768 0.018 -13.382 1.00 0.00 H new ATOM 253 N GLN A 16 4.064 3.790 -11.925 1.00 0.00 N ATOM 254 CA GLN A 16 3.924 4.397 -10.606 1.00 0.00 C ATOM 255 C GLN A 16 2.690 5.293 -10.549 1.00 0.00 C ATOM 256 O GLN A 16 2.284 5.872 -11.556 1.00 0.00 O ATOM 257 CB GLN A 16 5.173 5.211 -10.253 1.00 0.00 C ATOM 258 CG GLN A 16 6.438 4.383 -10.122 1.00 0.00 C ATOM 259 CD GLN A 16 7.627 5.209 -9.668 1.00 0.00 C ATOM 260 OE1 GLN A 16 7.503 6.409 -9.407 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.788 4.571 -9.574 1.00 0.00 N ATOM 0 H GLN A 16 3.847 4.414 -12.703 1.00 0.00 H new ATOM 0 HA GLN A 16 3.807 3.594 -9.878 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.327 5.970 -11.020 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.997 5.737 -9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.268 3.575 -9.410 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.666 3.920 -11.082 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.844 3.578 -9.800 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.624 5.074 -9.276 1.00 0.00 H new ATOM 270 N PHE A 17 2.099 5.402 -9.364 1.00 0.00 N ATOM 271 CA PHE A 17 0.943 6.269 -9.163 1.00 0.00 C ATOM 272 C PHE A 17 0.700 6.514 -7.677 1.00 0.00 C ATOM 273 O PHE A 17 1.261 5.828 -6.822 1.00 0.00 O ATOM 274 CB PHE A 17 -0.302 5.660 -9.809 1.00 0.00 C ATOM 275 CG PHE A 17 -0.678 4.316 -9.255 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.508 4.212 -8.148 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.201 3.151 -9.838 1.00 0.00 C ATOM 278 CE1 PHE A 17 -1.854 2.976 -7.638 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.547 1.914 -9.330 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.374 1.826 -8.228 1.00 0.00 C ATOM 0 H PHE A 17 2.401 4.901 -8.528 1.00 0.00 H new ATOM 0 HA PHE A 17 1.152 7.227 -9.639 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.140 6.344 -9.676 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.134 5.566 -10.882 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.888 5.108 -7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.448 3.212 -10.699 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.501 2.910 -6.776 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.170 1.015 -9.795 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.644 0.859 -7.829 1.00 0.00 H new ATOM 290 N THR A 18 -0.142 7.498 -7.377 1.00 0.00 N ATOM 291 CA THR A 18 -0.411 7.878 -5.995 1.00 0.00 C ATOM 292 C THR A 18 -1.835 7.515 -5.592 1.00 0.00 C ATOM 293 O THR A 18 -2.742 7.497 -6.425 1.00 0.00 O ATOM 294 CB THR A 18 -0.194 9.387 -5.772 1.00 0.00 C ATOM 295 OG1 THR A 18 -1.068 10.130 -6.631 1.00 0.00 O ATOM 296 CG2 THR A 18 1.248 9.768 -6.070 1.00 0.00 C ATOM 0 H THR A 18 -0.649 8.046 -8.072 1.00 0.00 H new ATOM 0 HA THR A 18 0.292 7.323 -5.374 1.00 0.00 H new ATOM 0 HB THR A 18 -0.413 9.620 -4.730 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.930 11.090 -6.487 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.383 10.837 -5.907 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.915 9.213 -5.410 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.481 9.527 -7.107 1.00 0.00 H new ATOM 304 N VAL A 19 -2.026 7.224 -4.308 1.00 0.00 N ATOM 305 CA VAL A 19 -3.353 6.932 -3.781 1.00 0.00 C ATOM 306 C VAL A 19 -3.656 7.783 -2.553 1.00 0.00 C ATOM 307 O VAL A 19 -2.744 8.239 -1.863 1.00 0.00 O ATOM 308 CB VAL A 19 -3.500 5.443 -3.412 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.342 4.570 -4.648 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.481 5.054 -2.353 1.00 0.00 C ATOM 0 H VAL A 19 -1.279 7.184 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.065 7.172 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.499 5.286 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.449 3.522 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.108 4.831 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.356 4.731 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.599 3.999 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.475 5.226 -2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.637 5.657 -1.459 1.00 0.00 H new ATOM 320 N GLU A 20 -4.940 7.990 -2.285 1.00 0.00 N ATOM 321 CA GLU A 20 -5.363 8.788 -1.139 1.00 0.00 C ATOM 322 C GLU A 20 -5.992 7.907 -0.065 1.00 0.00 C ATOM 323 O GLU A 20 -6.977 7.212 -0.315 1.00 0.00 O ATOM 324 CB GLU A 20 -6.348 9.875 -1.574 1.00 0.00 C ATOM 325 CG GLU A 20 -6.828 10.777 -0.445 1.00 0.00 C ATOM 326 CD GLU A 20 -7.813 11.798 -0.944 1.00 0.00 C ATOM 327 OE1 GLU A 20 -8.109 11.788 -2.114 1.00 0.00 O ATOM 328 OE2 GLU A 20 -8.354 12.516 -0.136 1.00 0.00 O ATOM 0 H GLU A 20 -5.706 7.617 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.479 9.266 -0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.876 10.491 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.213 9.400 -2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.291 10.172 0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.975 11.282 0.008 1.00 0.00 H new ATOM 335 N VAL A 21 -5.414 7.938 1.131 1.00 0.00 N ATOM 336 CA VAL A 21 -5.894 7.113 2.235 1.00 0.00 C ATOM 337 C VAL A 21 -5.950 7.910 3.533 1.00 0.00 C ATOM 338 O VAL A 21 -5.456 9.036 3.604 1.00 0.00 O ATOM 339 CB VAL A 21 -5.003 5.874 2.442 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.060 4.966 1.222 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.568 6.289 2.727 1.00 0.00 C ATOM 0 H VAL A 21 -4.612 8.525 1.361 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.899 6.785 1.970 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.380 5.321 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.424 4.096 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.087 4.640 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.709 5.511 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.954 5.400 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.182 6.865 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.538 6.900 3.629 1.00 0.00 H new ATOM 351 N ASP A 22 -6.556 7.320 4.557 1.00 0.00 N ATOM 352 CA ASP A 22 -6.613 7.942 5.874 1.00 0.00 C ATOM 353 C ASP A 22 -5.562 7.346 6.804 1.00 0.00 C ATOM 354 O ASP A 22 -5.311 6.141 6.782 1.00 0.00 O ATOM 355 CB ASP A 22 -8.009 7.784 6.484 1.00 0.00 C ATOM 356 CG ASP A 22 -8.287 8.705 7.664 1.00 0.00 C ATOM 357 OD1 ASP A 22 -7.539 8.665 8.613 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.145 9.546 7.547 1.00 0.00 O ATOM 0 H ASP A 22 -7.015 6.411 4.500 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.402 9.004 5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.754 7.970 5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.136 6.751 6.807 1.00 0.00 H new ATOM 363 N ARG A 23 -4.949 8.198 7.619 1.00 0.00 N ATOM 364 CA ARG A 23 -3.862 7.772 8.493 1.00 0.00 C ATOM 365 C ARG A 23 -4.367 6.801 9.556 1.00 0.00 C ATOM 366 O ARG A 23 -3.606 5.988 10.082 1.00 0.00 O ATOM 367 CB ARG A 23 -3.127 8.951 9.115 1.00 0.00 C ATOM 368 CG ARG A 23 -3.876 9.650 10.238 1.00 0.00 C ATOM 369 CD ARG A 23 -3.252 10.918 10.694 1.00 0.00 C ATOM 370 NE ARG A 23 -1.926 10.763 11.271 1.00 0.00 N ATOM 371 CZ ARG A 23 -1.092 11.781 11.556 1.00 0.00 C ATOM 372 NH1 ARG A 23 -1.423 13.025 11.286 1.00 0.00 N ATOM 373 NH2 ARG A 23 0.082 11.496 12.093 1.00 0.00 N ATOM 0 H ARG A 23 -5.186 9.187 7.693 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.136 7.246 7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.169 8.602 9.499 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.911 9.679 8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.893 9.858 9.906 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.951 8.970 11.087 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.189 11.602 9.848 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.904 11.384 11.433 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.605 9.816 11.474 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.324 13.231 10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.779 13.784 11.509 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.335 10.526 12.281 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.735 12.246 12.320 1.00 0.00 H new ATOM 387 N THR A 24 -5.657 6.892 9.868 1.00 0.00 N ATOM 388 CA THR A 24 -6.251 6.062 10.910 1.00 0.00 C ATOM 389 C THR A 24 -6.823 4.776 10.326 1.00 0.00 C ATOM 390 O THR A 24 -7.241 3.883 11.062 1.00 0.00 O ATOM 391 CB THR A 24 -7.364 6.812 11.664 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.451 7.086 10.770 1.00 0.00 O ATOM 393 CG2 THR A 24 -6.836 8.121 12.231 1.00 0.00 C ATOM 0 H THR A 24 -6.310 7.531 9.414 1.00 0.00 H new ATOM 0 HA THR A 24 -5.453 5.817 11.611 1.00 0.00 H new ATOM 0 HB THR A 24 -7.710 6.185 12.486 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.142 7.674 10.050 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.637 8.637 12.761 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.018 7.915 12.922 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.474 8.750 11.418 1.00 0.00 H new ATOM 401 N GLU A 25 -6.838 4.688 9.000 1.00 0.00 N ATOM 402 CA GLU A 25 -7.292 3.481 8.320 1.00 0.00 C ATOM 403 C GLU A 25 -6.201 2.414 8.319 1.00 0.00 C ATOM 404 O GLU A 25 -5.016 2.721 8.458 1.00 0.00 O ATOM 405 CB GLU A 25 -7.721 3.800 6.887 1.00 0.00 C ATOM 406 CG GLU A 25 -9.113 4.404 6.767 1.00 0.00 C ATOM 407 CD GLU A 25 -10.179 3.375 7.023 1.00 0.00 C ATOM 408 OE1 GLU A 25 -9.854 2.213 7.081 1.00 0.00 O ATOM 409 OE2 GLU A 25 -11.297 3.757 7.274 1.00 0.00 O ATOM 0 H GLU A 25 -6.541 5.438 8.376 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.153 3.092 8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.000 4.491 6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.683 2.884 6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.218 5.224 7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.244 4.826 5.771 1.00 0.00 H new ATOM 416 N THR A 26 -6.609 1.157 8.162 1.00 0.00 N ATOM 417 CA THR A 26 -5.685 0.035 8.268 1.00 0.00 C ATOM 418 C THR A 26 -4.956 -0.202 6.951 1.00 0.00 C ATOM 419 O THR A 26 -5.330 0.346 5.914 1.00 0.00 O ATOM 420 CB THR A 26 -6.412 -1.259 8.681 1.00 0.00 C ATOM 421 OG1 THR A 26 -7.356 -1.623 7.667 1.00 0.00 O ATOM 422 CG2 THR A 26 -7.142 -1.062 10.001 1.00 0.00 C ATOM 0 H THR A 26 -7.573 0.892 7.961 1.00 0.00 H new ATOM 0 HA THR A 26 -4.961 0.295 9.040 1.00 0.00 H new ATOM 0 HB THR A 26 -5.673 -2.051 8.801 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.926 -2.349 7.996 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.650 -1.986 10.277 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.425 -0.796 10.777 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.875 -0.263 9.895 1.00 0.00 H new ATOM 430 N VAL A 27 -3.911 -1.023 6.998 1.00 0.00 N ATOM 431 CA VAL A 27 -3.131 -1.336 5.807 1.00 0.00 C ATOM 432 C VAL A 27 -4.009 -1.948 4.720 1.00 0.00 C ATOM 433 O VAL A 27 -3.781 -1.732 3.530 1.00 0.00 O ATOM 434 CB VAL A 27 -1.975 -2.304 6.127 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.327 -2.802 4.843 1.00 0.00 C ATOM 436 CG2 VAL A 27 -0.942 -1.625 7.015 1.00 0.00 C ATOM 0 H VAL A 27 -3.586 -1.483 7.848 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.714 -0.395 5.447 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.382 -3.161 6.664 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.513 -3.484 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.069 -3.324 4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.934 -1.955 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.133 -2.323 7.231 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.540 -0.751 6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.412 -1.314 7.948 1.00 0.00 H new ATOM 446 N SER A 28 -5.013 -2.711 5.139 1.00 0.00 N ATOM 447 CA SER A 28 -5.901 -3.387 4.200 1.00 0.00 C ATOM 448 C SER A 28 -6.653 -2.378 3.339 1.00 0.00 C ATOM 449 O SER A 28 -7.014 -2.664 2.197 1.00 0.00 O ATOM 450 CB SER A 28 -6.875 -4.277 4.949 1.00 0.00 C ATOM 451 OG SER A 28 -7.826 -3.534 5.661 1.00 0.00 O ATOM 0 H SER A 28 -5.232 -2.877 6.121 1.00 0.00 H new ATOM 0 HA SER A 28 -5.295 -4.007 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.383 -4.933 4.242 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.324 -4.917 5.639 1.00 0.00 H new ATOM 0 HG SER A 28 -7.370 -2.934 6.288 1.00 0.00 H new ATOM 457 N SER A 29 -6.886 -1.193 3.894 1.00 0.00 N ATOM 458 CA SER A 29 -7.517 -0.110 3.149 1.00 0.00 C ATOM 459 C SER A 29 -6.565 0.453 2.097 1.00 0.00 C ATOM 460 O SER A 29 -6.976 0.778 0.982 1.00 0.00 O ATOM 461 CB SER A 29 -7.968 0.984 4.096 1.00 0.00 C ATOM 462 OG SER A 29 -8.990 0.551 4.953 1.00 0.00 O ATOM 0 H SER A 29 -6.647 -0.958 4.858 1.00 0.00 H new ATOM 0 HA SER A 29 -8.391 -0.511 2.635 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.118 1.323 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.317 1.841 3.520 1.00 0.00 H new ATOM 0 HG SER A 29 -9.164 1.239 5.629 1.00 0.00 H new ATOM 468 N LEU A 30 -5.292 0.564 2.460 1.00 0.00 N ATOM 469 CA LEU A 30 -4.257 0.953 1.508 1.00 0.00 C ATOM 470 C LEU A 30 -4.125 -0.081 0.395 1.00 0.00 C ATOM 471 O LEU A 30 -3.959 0.268 -0.775 1.00 0.00 O ATOM 472 CB LEU A 30 -2.915 1.138 2.228 1.00 0.00 C ATOM 473 CG LEU A 30 -1.731 1.495 1.320 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.003 2.807 0.598 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.462 1.591 2.154 1.00 0.00 C ATOM 0 H LEU A 30 -4.952 0.390 3.406 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.547 1.902 1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.028 1.922 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.678 0.218 2.763 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.600 0.715 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.157 3.051 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.903 2.708 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.145 3.602 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.379 1.845 1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.583 2.364 2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.272 0.633 2.639 1.00 0.00 H new ATOM 487 N LYS A 31 -4.206 -1.354 0.764 1.00 0.00 N ATOM 488 CA LYS A 31 -4.173 -2.437 -0.211 1.00 0.00 C ATOM 489 C LYS A 31 -5.397 -2.387 -1.120 1.00 0.00 C ATOM 490 O LYS A 31 -5.304 -2.657 -2.317 1.00 0.00 O ATOM 491 CB LYS A 31 -4.092 -3.792 0.493 1.00 0.00 C ATOM 492 CG LYS A 31 -2.761 -4.065 1.181 1.00 0.00 C ATOM 493 CD LYS A 31 -2.718 -5.469 1.765 1.00 0.00 C ATOM 494 CE LYS A 31 -1.333 -5.805 2.300 1.00 0.00 C ATOM 495 NZ LYS A 31 -1.248 -7.210 2.783 1.00 0.00 N ATOM 0 H LYS A 31 -4.295 -1.662 1.732 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.282 -2.310 -0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.889 -3.851 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.278 -4.579 -0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.948 -3.941 0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.602 -3.334 1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.450 -5.553 2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.999 -6.192 0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.593 -5.646 1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.085 -5.126 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.260 -7.439 3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.835 -7.321 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.590 -7.853 2.041 1.00 0.00 H new ATOM 509 N ASP A 32 -6.543 -2.040 -0.545 1.00 0.00 N ATOM 510 CA ASP A 32 -7.774 -1.902 -1.313 1.00 0.00 C ATOM 511 C ASP A 32 -7.615 -0.851 -2.408 1.00 0.00 C ATOM 512 O ASP A 32 -8.041 -1.055 -3.545 1.00 0.00 O ATOM 513 CB ASP A 32 -8.943 -1.536 -0.395 1.00 0.00 C ATOM 514 CG ASP A 32 -10.305 -1.539 -1.078 1.00 0.00 C ATOM 515 OD1 ASP A 32 -10.708 -2.576 -1.551 1.00 0.00 O ATOM 516 OD2 ASP A 32 -10.995 -0.553 -0.985 1.00 0.00 O ATOM 0 H ASP A 32 -6.645 -1.849 0.452 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.987 -2.861 -1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.967 -2.237 0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.763 -0.546 0.025 1.00 0.00 H new ATOM 521 N LYS A 33 -6.999 0.273 -2.057 1.00 0.00 N ATOM 522 CA LYS A 33 -6.772 1.351 -3.013 1.00 0.00 C ATOM 523 C LYS A 33 -5.874 0.885 -4.154 1.00 0.00 C ATOM 524 O LYS A 33 -6.110 1.217 -5.317 1.00 0.00 O ATOM 525 CB LYS A 33 -6.156 2.564 -2.316 1.00 0.00 C ATOM 526 CG LYS A 33 -7.109 3.312 -1.393 1.00 0.00 C ATOM 527 CD LYS A 33 -8.259 3.933 -2.172 1.00 0.00 C ATOM 528 CE LYS A 33 -9.225 4.660 -1.248 1.00 0.00 C ATOM 529 NZ LYS A 33 -10.376 5.241 -1.991 1.00 0.00 N ATOM 0 H LYS A 33 -6.648 0.461 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.736 1.640 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.293 2.235 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.787 3.255 -3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.503 2.628 -0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.565 4.092 -0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.865 4.631 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.792 3.155 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.594 3.967 -0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.695 5.454 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.010 5.727 -1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.027 5.921 -2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.898 4.481 -2.473 1.00 0.00 H new ATOM 543 N ILE A 34 -4.845 0.114 -3.816 1.00 0.00 N ATOM 544 CA ILE A 34 -4.004 -0.521 -4.822 1.00 0.00 C ATOM 545 C ILE A 34 -4.805 -1.507 -5.664 1.00 0.00 C ATOM 546 O ILE A 34 -4.625 -1.592 -6.879 1.00 0.00 O ATOM 547 CB ILE A 34 -2.812 -1.254 -4.181 1.00 0.00 C ATOM 548 CG1 ILE A 34 -1.862 -0.252 -3.519 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.075 -2.083 -5.222 1.00 0.00 C ATOM 550 CD1 ILE A 34 -0.850 -0.890 -2.594 1.00 0.00 C ATOM 0 H ILE A 34 -4.574 -0.085 -2.853 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.624 0.274 -5.463 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.192 -1.927 -3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.333 0.300 -4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.449 0.473 -2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.235 -2.595 -4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.756 -2.820 -5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.705 -1.430 -6.012 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.213 -0.117 -2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.370 -1.419 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.237 -1.594 -3.156 1.00 0.00 H new ATOM 562 N HIS A 35 -5.692 -2.252 -5.011 1.00 0.00 N ATOM 563 CA HIS A 35 -6.504 -3.250 -5.696 1.00 0.00 C ATOM 564 C HIS A 35 -7.478 -2.589 -6.664 1.00 0.00 C ATOM 565 O HIS A 35 -7.779 -3.133 -7.727 1.00 0.00 O ATOM 566 CB HIS A 35 -7.269 -4.113 -4.688 1.00 0.00 C ATOM 567 CG HIS A 35 -8.177 -5.120 -5.323 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.706 -6.169 -6.084 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.526 -5.237 -5.312 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.729 -6.889 -6.513 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.843 -6.344 -6.059 1.00 0.00 N ATOM 0 H HIS A 35 -5.866 -2.183 -4.008 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.832 -3.892 -6.266 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.553 -4.633 -4.052 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.858 -3.463 -4.040 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.724 -6.359 -6.284 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.222 -4.582 -4.809 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.664 -7.773 -7.130 1.00 0.00 H new ATOM 578 N ILE A 36 -7.969 -1.410 -6.291 1.00 0.00 N ATOM 579 CA ILE A 36 -8.893 -0.665 -7.136 1.00 0.00 C ATOM 580 C ILE A 36 -8.221 -0.232 -8.434 1.00 0.00 C ATOM 581 O ILE A 36 -8.811 -0.322 -9.511 1.00 0.00 O ATOM 582 CB ILE A 36 -9.443 0.577 -6.412 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.378 0.161 -5.273 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.164 1.488 -7.392 1.00 0.00 C ATOM 585 CD1 ILE A 36 -10.709 1.282 -4.314 1.00 0.00 C ATOM 0 H ILE A 36 -7.741 -0.951 -5.409 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.722 -1.334 -7.366 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.606 1.129 -5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.304 -0.226 -5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.917 -0.656 -4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.547 2.361 -6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.470 1.809 -8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.994 0.948 -7.848 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.375 0.910 -3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.791 1.654 -3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.200 2.091 -4.855 1.00 0.00 H new ATOM 597 N VAL A 37 -6.983 0.239 -8.326 1.00 0.00 N ATOM 598 CA VAL A 37 -6.239 0.714 -9.488 1.00 0.00 C ATOM 599 C VAL A 37 -5.726 -0.451 -10.325 1.00 0.00 C ATOM 600 O VAL A 37 -5.752 -0.403 -11.555 1.00 0.00 O ATOM 601 CB VAL A 37 -5.049 1.597 -9.070 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.210 1.970 -10.284 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.536 2.842 -8.346 1.00 0.00 C ATOM 0 H VAL A 37 -6.473 0.302 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.930 1.309 -10.085 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.421 1.029 -8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.373 2.594 -9.970 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.830 1.064 -10.756 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.825 2.519 -10.997 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.681 3.454 -8.058 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.187 3.416 -9.006 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.090 2.551 -7.454 1.00 0.00 H new ATOM 613 N GLU A 38 -5.262 -1.498 -9.651 1.00 0.00 N ATOM 614 CA GLU A 38 -4.618 -2.618 -10.327 1.00 0.00 C ATOM 615 C GLU A 38 -5.623 -3.732 -10.610 1.00 0.00 C ATOM 616 O GLU A 38 -6.803 -3.617 -10.278 1.00 0.00 O ATOM 617 CB GLU A 38 -3.456 -3.155 -9.491 1.00 0.00 C ATOM 618 CG GLU A 38 -2.321 -2.163 -9.282 1.00 0.00 C ATOM 619 CD GLU A 38 -1.706 -1.753 -10.591 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.248 -2.613 -11.305 1.00 0.00 O ATOM 621 OE2 GLU A 38 -1.793 -0.596 -10.930 1.00 0.00 O ATOM 0 H GLU A 38 -5.320 -1.594 -8.637 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.226 -2.257 -11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.837 -3.463 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.058 -4.047 -9.975 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.697 -1.282 -8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.558 -2.609 -8.643 1.00 0.00 H new ATOM 628 N ASN A 39 -5.146 -4.808 -11.227 1.00 0.00 N ATOM 629 CA ASN A 39 -6.008 -5.930 -11.581 1.00 0.00 C ATOM 630 C ASN A 39 -5.603 -7.189 -10.821 1.00 0.00 C ATOM 631 O ASN A 39 -5.910 -8.307 -11.237 1.00 0.00 O ATOM 632 CB ASN A 39 -5.997 -6.190 -13.076 1.00 0.00 C ATOM 633 CG ASN A 39 -6.490 -5.031 -13.895 1.00 0.00 C ATOM 634 OD1 ASN A 39 -7.676 -4.682 -13.866 1.00 0.00 O ATOM 635 ND2 ASN A 39 -5.605 -4.483 -14.689 1.00 0.00 N ATOM 0 H ASN A 39 -4.168 -4.927 -11.492 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.025 -5.662 -11.294 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.981 -6.436 -13.385 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.615 -7.062 -13.289 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.883 -3.732 -15.321 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.638 -4.807 -14.675 1.00 0.00 H new ATOM 642 N THR A 40 -4.910 -7.001 -9.701 1.00 0.00 N ATOM 643 CA THR A 40 -4.402 -8.121 -8.918 1.00 0.00 C ATOM 644 C THR A 40 -5.072 -8.182 -7.550 1.00 0.00 C ATOM 645 O THR A 40 -5.140 -7.193 -6.821 1.00 0.00 O ATOM 646 CB THR A 40 -2.877 -8.032 -8.730 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.230 -8.103 -10.006 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.381 -9.172 -7.851 1.00 0.00 C ATOM 0 H THR A 40 -4.688 -6.083 -9.316 1.00 0.00 H new ATOM 0 HA THR A 40 -4.636 -9.028 -9.475 1.00 0.00 H new ATOM 0 HB THR A 40 -2.641 -7.084 -8.247 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.425 -8.968 -10.424 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.301 -9.094 -7.729 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.862 -9.114 -6.875 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.625 -10.125 -8.320 1.00 0.00 H new ATOM 656 N PRO A 41 -5.576 -9.372 -7.191 1.00 0.00 N ATOM 657 CA PRO A 41 -6.213 -9.601 -5.891 1.00 0.00 C ATOM 658 C PRO A 41 -5.319 -9.188 -4.726 1.00 0.00 C ATOM 659 O PRO A 41 -4.098 -9.334 -4.788 1.00 0.00 O ATOM 660 CB PRO A 41 -6.498 -11.107 -5.881 1.00 0.00 C ATOM 661 CG PRO A 41 -6.618 -11.472 -7.321 1.00 0.00 C ATOM 662 CD PRO A 41 -5.616 -10.606 -8.037 1.00 0.00 C ATOM 0 HA PRO A 41 -7.114 -9.001 -5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.693 -11.660 -5.397 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.414 -11.334 -5.336 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.406 -12.530 -7.477 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.628 -11.291 -7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.639 -11.085 -8.099 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.928 -10.386 -9.058 1.00 0.00 H new ATOM 670 N ILE A 42 -5.935 -8.673 -3.668 1.00 0.00 N ATOM 671 CA ILE A 42 -5.194 -8.233 -2.493 1.00 0.00 C ATOM 672 C ILE A 42 -4.400 -9.383 -1.880 1.00 0.00 C ATOM 673 O ILE A 42 -3.285 -9.194 -1.394 1.00 0.00 O ATOM 674 CB ILE A 42 -6.130 -7.640 -1.424 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.728 -6.318 -1.913 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.382 -7.438 -0.115 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.843 -5.792 -1.039 1.00 0.00 C ATOM 0 H ILE A 42 -6.945 -8.550 -3.600 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.505 -7.458 -2.828 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.945 -8.342 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.937 -5.570 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.107 -6.454 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.058 -7.018 0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.003 -8.397 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.548 -6.754 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.215 -4.853 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.653 -6.520 -1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.466 -5.622 -0.031 1.00 0.00 H new ATOM 689 N LYS A 43 -4.984 -10.576 -1.908 1.00 0.00 N ATOM 690 CA LYS A 43 -4.357 -11.748 -1.307 1.00 0.00 C ATOM 691 C LYS A 43 -3.100 -12.147 -2.073 1.00 0.00 C ATOM 692 O LYS A 43 -2.223 -12.825 -1.536 1.00 0.00 O ATOM 693 CB LYS A 43 -5.340 -12.918 -1.259 1.00 0.00 C ATOM 694 CG LYS A 43 -6.500 -12.727 -0.292 1.00 0.00 C ATOM 695 CD LYS A 43 -7.444 -13.920 -0.316 1.00 0.00 C ATOM 696 CE LYS A 43 -8.587 -13.742 0.672 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.530 -14.893 0.645 1.00 0.00 N ATOM 0 H LYS A 43 -5.890 -10.757 -2.340 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.070 -11.490 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.740 -13.081 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.797 -13.821 -0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.115 -12.586 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.048 -11.822 -0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.846 -14.048 -1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.891 -14.828 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.183 -13.628 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.128 -12.824 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.294 -14.732 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.936 -14.987 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.020 -15.765 0.892 1.00 0.00 H new ATOM 711 N ARG A 44 -3.018 -11.722 -3.329 1.00 0.00 N ATOM 712 CA ARG A 44 -1.887 -12.068 -4.181 1.00 0.00 C ATOM 713 C ARG A 44 -0.885 -10.919 -4.247 1.00 0.00 C ATOM 714 O ARG A 44 0.327 -11.141 -4.273 1.00 0.00 O ATOM 715 CB ARG A 44 -2.326 -12.509 -5.569 1.00 0.00 C ATOM 716 CG ARG A 44 -3.244 -13.721 -5.594 1.00 0.00 C ATOM 717 CD ARG A 44 -2.602 -14.985 -5.148 1.00 0.00 C ATOM 718 NE ARG A 44 -3.488 -16.138 -5.133 1.00 0.00 N ATOM 719 CZ ARG A 44 -3.130 -17.371 -4.728 1.00 0.00 C ATOM 720 NH1 ARG A 44 -1.900 -17.627 -4.340 1.00 0.00 N ATOM 721 NH2 ARG A 44 -4.043 -18.326 -4.753 1.00 0.00 N ATOM 0 H ARG A 44 -3.722 -11.137 -3.780 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.388 -12.924 -3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.834 -11.676 -6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.439 -12.731 -6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.107 -13.522 -4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.620 -13.856 -6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.758 -15.200 -5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.199 -14.839 -4.146 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.448 -16.003 -5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.200 -16.885 -4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.646 -18.567 -4.036 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.989 -18.119 -5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.802 -19.270 -4.452 1.00 0.00 H new ATOM 735 N MET A 45 -1.397 -9.694 -4.275 1.00 0.00 N ATOM 736 CA MET A 45 -0.546 -8.512 -4.349 1.00 0.00 C ATOM 737 C MET A 45 0.305 -8.376 -3.090 1.00 0.00 C ATOM 738 O MET A 45 -0.192 -8.522 -1.974 1.00 0.00 O ATOM 739 CB MET A 45 -1.396 -7.259 -4.552 1.00 0.00 C ATOM 740 CG MET A 45 -0.607 -5.957 -4.563 1.00 0.00 C ATOM 741 SD MET A 45 -0.339 -5.292 -2.908 1.00 0.00 S ATOM 742 CE MET A 45 -1.988 -4.725 -2.501 1.00 0.00 C ATOM 0 H MET A 45 -2.397 -9.493 -4.248 1.00 0.00 H new ATOM 0 HA MET A 45 0.123 -8.626 -5.202 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.936 -7.350 -5.495 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.143 -7.210 -3.760 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.357 -6.125 -5.043 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.139 -5.220 -5.165 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.935 -3.717 -2.090 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.603 -4.718 -3.401 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.431 -5.394 -1.764 1.00 0.00 H new ATOM 752 N GLN A 46 1.590 -8.095 -3.279 1.00 0.00 N ATOM 753 CA GLN A 46 2.514 -7.952 -2.159 1.00 0.00 C ATOM 754 C GLN A 46 2.873 -6.488 -1.934 1.00 0.00 C ATOM 755 O GLN A 46 3.099 -5.739 -2.886 1.00 0.00 O ATOM 756 CB GLN A 46 3.786 -8.767 -2.405 1.00 0.00 C ATOM 757 CG GLN A 46 3.537 -10.231 -2.721 1.00 0.00 C ATOM 758 CD GLN A 46 2.905 -10.976 -1.561 1.00 0.00 C ATOM 759 OE1 GLN A 46 3.442 -10.992 -0.449 1.00 0.00 O ATOM 760 NE2 GLN A 46 1.761 -11.600 -1.813 1.00 0.00 N ATOM 0 H GLN A 46 2.015 -7.962 -4.196 1.00 0.00 H new ATOM 0 HA GLN A 46 2.018 -8.330 -1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.338 -8.318 -3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.423 -8.701 -1.523 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.888 -10.306 -3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.481 -10.708 -2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.353 -11.560 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.290 -12.120 -1.073 1.00 0.00 H new ATOM 769 N LEU A 47 2.927 -6.085 -0.670 1.00 0.00 N ATOM 770 CA LEU A 47 3.056 -4.674 -0.321 1.00 0.00 C ATOM 771 C LEU A 47 4.218 -4.456 0.643 1.00 0.00 C ATOM 772 O LEU A 47 4.228 -4.993 1.751 1.00 0.00 O ATOM 773 CB LEU A 47 1.748 -4.157 0.291 1.00 0.00 C ATOM 774 CG LEU A 47 1.832 -2.765 0.931 1.00 0.00 C ATOM 775 CD1 LEU A 47 2.238 -1.734 -0.114 1.00 0.00 C ATOM 776 CD2 LEU A 47 0.489 -2.406 1.549 1.00 0.00 C ATOM 0 H LEU A 47 2.884 -6.715 0.131 1.00 0.00 H new ATOM 0 HA LEU A 47 3.263 -4.113 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.985 -4.136 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.413 -4.867 1.047 1.00 0.00 H new ATOM 0 HG LEU A 47 2.588 -2.771 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.295 -0.749 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.212 -1.998 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.498 -1.716 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.550 -1.417 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.279 -2.403 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.232 -3.140 2.312 1.00 0.00 H new ATOM 788 N TYR A 48 5.195 -3.664 0.215 1.00 0.00 N ATOM 789 CA TYR A 48 6.298 -3.271 1.084 1.00 0.00 C ATOM 790 C TYR A 48 6.342 -1.756 1.256 1.00 0.00 C ATOM 791 O TYR A 48 6.080 -1.005 0.316 1.00 0.00 O ATOM 792 CB TYR A 48 7.628 -3.778 0.525 1.00 0.00 C ATOM 793 CG TYR A 48 8.841 -3.270 1.272 1.00 0.00 C ATOM 794 CD1 TYR A 48 9.177 -3.782 2.516 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.648 -2.282 0.729 1.00 0.00 C ATOM 796 CE1 TYR A 48 10.284 -3.321 3.204 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.757 -1.814 1.407 1.00 0.00 C ATOM 798 CZ TYR A 48 11.072 -2.336 2.644 1.00 0.00 C ATOM 799 OH TYR A 48 12.176 -1.874 3.324 1.00 0.00 O ATOM 0 H TYR A 48 5.246 -3.281 -0.729 1.00 0.00 H new ATOM 0 HA TYR A 48 6.134 -3.723 2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.629 -4.868 0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.708 -3.482 -0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.563 -4.554 2.955 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.406 -1.871 -0.240 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.530 -3.729 4.173 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.374 -1.043 0.970 1.00 0.00 H new ATOM 0 HH TYR A 48 12.103 -2.117 4.270 1.00 0.00 H new ATOM 809 N TYR A 49 6.677 -1.312 2.462 1.00 0.00 N ATOM 810 CA TYR A 49 6.801 0.113 2.747 1.00 0.00 C ATOM 811 C TYR A 49 8.243 0.474 3.094 1.00 0.00 C ATOM 812 O TYR A 49 8.899 -0.219 3.871 1.00 0.00 O ATOM 813 CB TYR A 49 5.866 0.514 3.890 1.00 0.00 C ATOM 814 CG TYR A 49 6.188 1.860 4.500 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.159 3.016 3.733 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.517 1.972 5.842 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.451 4.248 4.285 1.00 0.00 C ATOM 818 CE2 TYR A 49 6.812 3.198 6.406 1.00 0.00 C ATOM 819 CZ TYR A 49 6.777 4.335 5.624 1.00 0.00 C ATOM 820 OH TYR A 49 7.068 5.559 6.180 1.00 0.00 O ATOM 0 H TYR A 49 6.868 -1.919 3.259 1.00 0.00 H new ATOM 0 HA TYR A 49 6.515 0.664 1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.841 0.530 3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.912 -0.247 4.669 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.904 2.951 2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.543 1.085 6.458 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.425 5.138 3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.069 3.267 7.453 1.00 0.00 H new ATOM 0 HH TYR A 49 6.431 5.751 6.899 1.00 0.00 H new ATOM 830 N SER A 50 8.728 1.565 2.511 1.00 0.00 N ATOM 831 CA SER A 50 10.067 2.062 2.811 1.00 0.00 C ATOM 832 C SER A 50 10.470 1.704 4.239 1.00 0.00 C ATOM 833 O SER A 50 10.016 2.326 5.198 1.00 0.00 O ATOM 834 CB SER A 50 10.128 3.563 2.603 1.00 0.00 C ATOM 835 OG SER A 50 11.402 4.080 2.874 1.00 0.00 O ATOM 0 H SER A 50 8.215 2.122 1.828 1.00 0.00 H new ATOM 0 HA SER A 50 10.772 1.585 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.853 3.798 1.575 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.395 4.048 3.248 1.00 0.00 H new ATOM 0 HG SER A 50 11.400 5.049 2.727 1.00 0.00 H new ATOM 841 N GLY A 51 11.328 0.697 4.370 1.00 0.00 N ATOM 842 CA GLY A 51 11.793 0.285 5.681 1.00 0.00 C ATOM 843 C GLY A 51 11.024 -0.907 6.221 1.00 0.00 C ATOM 844 O GLY A 51 11.460 -2.049 6.078 1.00 0.00 O ATOM 0 H GLY A 51 11.709 0.159 3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.853 0.035 5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.698 1.120 6.376 1.00 0.00 H new ATOM 848 N ILE A 52 9.883 -0.638 6.844 1.00 0.00 N ATOM 849 CA ILE A 52 9.094 -1.688 7.478 1.00 0.00 C ATOM 850 C ILE A 52 8.023 -2.219 6.531 1.00 0.00 C ATOM 851 O ILE A 52 7.258 -1.449 5.950 1.00 0.00 O ATOM 852 CB ILE A 52 8.424 -1.187 8.771 1.00 0.00 C ATOM 853 CG1 ILE A 52 9.482 -0.751 9.787 1.00 0.00 C ATOM 854 CG2 ILE A 52 7.529 -2.268 9.359 1.00 0.00 C ATOM 855 CD1 ILE A 52 8.916 -0.021 10.983 1.00 0.00 C ATOM 0 H ILE A 52 9.483 0.297 6.924 1.00 0.00 H new ATOM 0 HA ILE A 52 9.784 -2.494 7.728 1.00 0.00 H new ATOM 0 HB ILE A 52 7.805 -0.323 8.529 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.024 -1.631 10.133 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.206 -0.106 9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.063 -1.898 10.272 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.755 -2.532 8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.127 -3.150 9.588 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.726 0.255 11.657 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.399 0.879 10.649 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.214 -0.670 11.506 1.00 0.00 H new ATOM 867 N GLU A 53 7.974 -3.539 6.383 1.00 0.00 N ATOM 868 CA GLU A 53 6.961 -4.176 5.550 1.00 0.00 C ATOM 869 C GLU A 53 5.590 -4.117 6.218 1.00 0.00 C ATOM 870 O GLU A 53 5.459 -4.374 7.416 1.00 0.00 O ATOM 871 CB GLU A 53 7.343 -5.629 5.256 1.00 0.00 C ATOM 872 CG GLU A 53 6.387 -6.354 4.319 1.00 0.00 C ATOM 873 CD GLU A 53 6.836 -7.766 4.066 1.00 0.00 C ATOM 874 OE1 GLU A 53 7.838 -8.158 4.614 1.00 0.00 O ATOM 875 OE2 GLU A 53 6.120 -8.488 3.414 1.00 0.00 O ATOM 0 H GLU A 53 8.623 -4.187 6.829 1.00 0.00 H new ATOM 0 HA GLU A 53 6.908 -3.630 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.342 -5.648 4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.394 -6.176 6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.386 -6.360 4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.323 -5.816 3.373 1.00 0.00 H new ATOM 882 N LEU A 54 4.573 -3.777 5.436 1.00 0.00 N ATOM 883 CA LEU A 54 3.224 -3.608 5.966 1.00 0.00 C ATOM 884 C LEU A 54 2.490 -4.944 6.023 1.00 0.00 C ATOM 885 O LEU A 54 1.458 -5.124 5.375 1.00 0.00 O ATOM 886 CB LEU A 54 2.440 -2.602 5.115 1.00 0.00 C ATOM 887 CG LEU A 54 3.110 -1.232 4.943 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.234 -0.329 4.084 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.352 -0.608 6.308 1.00 0.00 C ATOM 0 H LEU A 54 4.656 -3.613 4.433 1.00 0.00 H new ATOM 0 HA LEU A 54 3.302 -3.221 6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.275 -3.035 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.459 -2.455 5.566 1.00 0.00 H new ATOM 0 HG LEU A 54 4.069 -1.356 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.717 0.641 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.092 -0.785 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.265 -0.197 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.828 0.365 6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.401 -0.483 6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.001 -1.257 6.895 1.00 0.00 H new ATOM 901 N ALA A 55 3.025 -5.875 6.803 1.00 0.00 N ATOM 902 CA ALA A 55 2.534 -7.248 6.801 1.00 0.00 C ATOM 903 C ALA A 55 1.140 -7.333 7.414 1.00 0.00 C ATOM 904 O ALA A 55 0.302 -8.118 6.969 1.00 0.00 O ATOM 905 CB ALA A 55 3.499 -8.155 7.552 1.00 0.00 C ATOM 0 H ALA A 55 3.799 -5.705 7.445 1.00 0.00 H new ATOM 0 HA ALA A 55 2.469 -7.583 5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.120 -9.177 7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.476 -8.126 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.593 -7.812 8.582 1.00 0.00 H new ATOM 911 N ASP A 56 0.900 -6.522 8.438 1.00 0.00 N ATOM 912 CA ASP A 56 -0.319 -6.633 9.231 1.00 0.00 C ATOM 913 C ASP A 56 -1.460 -5.849 8.587 1.00 0.00 C ATOM 914 O ASP A 56 -1.418 -4.621 8.515 1.00 0.00 O ATOM 915 CB ASP A 56 -0.078 -6.137 10.659 1.00 0.00 C ATOM 916 CG ASP A 56 -1.274 -6.291 11.588 1.00 0.00 C ATOM 917 OD1 ASP A 56 -2.331 -6.630 11.112 1.00 0.00 O ATOM 918 OD2 ASP A 56 -1.088 -6.224 12.781 1.00 0.00 O ATOM 0 H ASP A 56 1.533 -5.781 8.739 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.602 -7.685 9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.767 -6.680 11.082 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.205 -5.085 10.622 1.00 0.00 H new ATOM 923 N ASP A 57 -2.474 -6.568 8.120 1.00 0.00 N ATOM 924 CA ASP A 57 -3.579 -5.951 7.396 1.00 0.00 C ATOM 925 C ASP A 57 -4.362 -5.005 8.302 1.00 0.00 C ATOM 926 O ASP A 57 -4.864 -3.974 7.853 1.00 0.00 O ATOM 927 CB ASP A 57 -4.509 -7.021 6.818 1.00 0.00 C ATOM 928 CG ASP A 57 -3.919 -7.808 5.656 1.00 0.00 C ATOM 929 OD1 ASP A 57 -2.891 -7.414 5.159 1.00 0.00 O ATOM 930 OD2 ASP A 57 -4.409 -8.876 5.379 1.00 0.00 O ATOM 0 H ASP A 57 -2.554 -7.579 8.230 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.160 -5.371 6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.779 -7.717 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.431 -6.543 6.486 1.00 0.00 H new ATOM 935 N TYR A 58 -4.462 -5.363 9.575 1.00 0.00 N ATOM 936 CA TYR A 58 -5.404 -4.714 10.481 1.00 0.00 C ATOM 937 C TYR A 58 -4.713 -3.624 11.294 1.00 0.00 C ATOM 938 O TYR A 58 -5.360 -2.873 12.024 1.00 0.00 O ATOM 939 CB TYR A 58 -6.047 -5.741 11.415 1.00 0.00 C ATOM 940 CG TYR A 58 -6.898 -6.769 10.702 1.00 0.00 C ATOM 941 CD1 TYR A 58 -8.205 -6.482 10.339 1.00 0.00 C ATOM 942 CD2 TYR A 58 -6.393 -8.024 10.398 1.00 0.00 C ATOM 943 CE1 TYR A 58 -8.987 -7.416 9.689 1.00 0.00 C ATOM 944 CE2 TYR A 58 -7.165 -8.968 9.747 1.00 0.00 C ATOM 945 CZ TYR A 58 -8.463 -8.659 9.395 1.00 0.00 C ATOM 946 OH TYR A 58 -9.238 -9.594 8.747 1.00 0.00 O ATOM 0 H TYR A 58 -3.903 -6.100 10.005 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.186 -4.251 9.879 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.262 -6.255 11.970 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.663 -5.217 12.146 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.619 -5.511 10.569 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.378 -8.268 10.675 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.003 -7.176 9.412 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.755 -9.940 9.516 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.719 -10.415 8.615 1.00 0.00 H new ATOM 956 N ARG A 59 -3.393 -3.543 11.162 1.00 0.00 N ATOM 957 CA ARG A 59 -2.628 -2.465 11.777 1.00 0.00 C ATOM 958 C ARG A 59 -2.827 -1.157 11.018 1.00 0.00 C ATOM 959 O ARG A 59 -2.901 -1.144 9.790 1.00 0.00 O ATOM 960 CB ARG A 59 -1.154 -2.813 11.917 1.00 0.00 C ATOM 961 CG ARG A 59 -0.322 -1.784 12.668 1.00 0.00 C ATOM 962 CD ARG A 59 1.083 -2.195 12.916 1.00 0.00 C ATOM 963 NE ARG A 59 1.903 -1.182 13.559 1.00 0.00 N ATOM 964 CZ ARG A 59 2.121 -1.102 14.887 1.00 0.00 C ATOM 965 NH1 ARG A 59 1.554 -1.948 15.718 1.00 0.00 N ATOM 966 NH2 ARG A 59 2.902 -0.134 15.333 1.00 0.00 N ATOM 0 H ARG A 59 -2.831 -4.211 10.635 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.012 -2.330 12.788 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.069 -3.771 12.429 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.730 -2.945 10.921 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.321 -0.852 12.102 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.801 -1.575 13.625 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.082 -3.091 13.537 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.542 -2.466 11.965 1.00 0.00 H new ATOM 0 HE ARG A 59 2.345 -0.482 12.963 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.939 -2.679 15.361 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.729 -1.874 16.720 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.321 0.526 14.678 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.086 -0.047 16.332 1.00 0.00 H new ATOM 980 N ASN A 60 -2.912 -0.056 11.759 1.00 0.00 N ATOM 981 CA ASN A 60 -3.211 1.243 11.166 1.00 0.00 C ATOM 982 C ASN A 60 -1.996 1.794 10.426 1.00 0.00 C ATOM 983 O ASN A 60 -0.853 1.524 10.797 1.00 0.00 O ATOM 984 CB ASN A 60 -3.686 2.236 12.212 1.00 0.00 C ATOM 985 CG ASN A 60 -5.053 1.930 12.759 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.861 1.248 12.119 1.00 0.00 O ATOM 987 ND2 ASN A 60 -5.344 2.499 13.901 1.00 0.00 N ATOM 0 H ASN A 60 -2.778 -0.038 12.770 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.019 1.097 10.450 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.971 2.254 13.034 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.694 3.235 11.775 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.275 2.389 14.303 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.640 3.052 14.389 1.00 0.00 H new ATOM 994 N LEU A 61 -2.251 2.569 9.376 1.00 0.00 N ATOM 995 CA LEU A 61 -1.179 3.175 8.595 1.00 0.00 C ATOM 996 C LEU A 61 -0.323 4.092 9.464 1.00 0.00 C ATOM 997 O LEU A 61 0.904 4.083 9.372 1.00 0.00 O ATOM 998 CB LEU A 61 -1.761 3.952 7.408 1.00 0.00 C ATOM 999 CG LEU A 61 -2.457 3.093 6.344 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.123 3.986 5.306 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.439 2.172 5.689 1.00 0.00 C ATOM 0 H LEU A 61 -3.190 2.792 9.047 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.541 2.378 8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.476 4.682 7.787 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.957 4.512 6.931 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.229 2.484 6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.614 3.367 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.863 4.621 5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.369 4.610 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.934 1.562 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.658 2.769 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.995 1.524 6.445 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.980 4.880 10.309 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.278 5.751 11.245 1.00 0.00 C ATOM 1015 C ASN A 62 0.599 4.934 12.192 1.00 0.00 C ATOM 1016 O ASN A 62 1.702 5.352 12.545 1.00 0.00 O ATOM 1017 CB ASN A 62 -1.245 6.614 12.035 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.583 7.744 12.773 1.00 0.00 C ATOM 1019 OD1 ASN A 62 -0.051 8.681 12.167 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.540 7.619 14.075 1.00 0.00 N ATOM 0 H ASN A 62 -1.997 4.933 10.365 1.00 0.00 H new ATOM 0 HA ASN A 62 0.361 6.412 10.660 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.991 7.024 11.355 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.777 5.987 12.750 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.051 8.314 14.638 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.996 6.826 14.527 1.00 0.00 H new ATOM 1027 N GLU A 63 0.100 3.772 12.596 1.00 0.00 N ATOM 1028 CA GLU A 63 0.818 2.920 13.539 1.00 0.00 C ATOM 1029 C GLU A 63 2.091 2.365 12.909 1.00 0.00 C ATOM 1030 O GLU A 63 3.078 2.107 13.600 1.00 0.00 O ATOM 1031 CB GLU A 63 -0.078 1.776 14.019 1.00 0.00 C ATOM 1032 CG GLU A 63 -1.156 2.194 15.009 1.00 0.00 C ATOM 1033 CD GLU A 63 -2.146 1.086 15.238 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -2.116 0.126 14.505 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -2.857 1.144 16.214 1.00 0.00 O ATOM 0 H GLU A 63 -0.797 3.398 12.287 1.00 0.00 H new ATOM 0 HA GLU A 63 1.098 3.529 14.399 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.555 1.317 13.153 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.546 1.011 14.482 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.694 2.474 15.956 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.675 3.076 14.634 1.00 0.00 H new ATOM 1042 N TYR A 64 2.063 2.181 11.594 1.00 0.00 N ATOM 1043 CA TYR A 64 3.218 1.665 10.869 1.00 0.00 C ATOM 1044 C TYR A 64 4.233 2.771 10.602 1.00 0.00 C ATOM 1045 O TYR A 64 5.406 2.505 10.343 1.00 0.00 O ATOM 1046 CB TYR A 64 2.781 1.021 9.551 1.00 0.00 C ATOM 1047 CG TYR A 64 2.746 -0.490 9.588 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.898 -1.221 9.837 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.564 -1.182 9.371 1.00 0.00 C ATOM 1050 CE1 TYR A 64 3.873 -2.602 9.873 1.00 0.00 C ATOM 1051 CE2 TYR A 64 1.526 -2.562 9.404 1.00 0.00 C ATOM 1052 CZ TYR A 64 2.684 -3.269 9.655 1.00 0.00 C ATOM 1053 OH TYR A 64 2.654 -4.645 9.689 1.00 0.00 O ATOM 0 H TYR A 64 1.253 2.382 11.008 1.00 0.00 H new ATOM 0 HA TYR A 64 3.693 0.906 11.490 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.790 1.391 9.289 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.460 1.339 8.760 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.830 -0.702 10.006 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.656 -0.631 9.173 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.778 -3.157 10.071 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.596 -3.084 9.234 1.00 0.00 H new ATOM 0 HH TYR A 64 2.467 -4.946 10.603 1.00 0.00 H new ATOM 1063 N GLY A 65 3.773 4.017 10.668 1.00 0.00 N ATOM 1064 CA GLY A 65 4.628 5.143 10.340 1.00 0.00 C ATOM 1065 C GLY A 65 4.409 5.644 8.926 1.00 0.00 C ATOM 1066 O GLY A 65 5.316 6.208 8.313 1.00 0.00 O ATOM 0 H GLY A 65 2.823 4.267 10.943 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.440 5.955 11.043 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.671 4.851 10.461 1.00 0.00 H new ATOM 1070 N ILE A 66 3.203 5.437 8.406 1.00 0.00 N ATOM 1071 CA ILE A 66 2.857 5.908 7.070 1.00 0.00 C ATOM 1072 C ILE A 66 2.514 7.393 7.083 1.00 0.00 C ATOM 1073 O ILE A 66 1.542 7.814 7.713 1.00 0.00 O ATOM 1074 CB ILE A 66 1.671 5.120 6.484 1.00 0.00 C ATOM 1075 CG1 ILE A 66 1.993 3.624 6.438 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.324 5.636 5.095 1.00 0.00 C ATOM 1077 CD1 ILE A 66 3.117 3.270 5.491 1.00 0.00 C ATOM 0 H ILE A 66 2.450 4.947 8.889 1.00 0.00 H new ATOM 0 HA ILE A 66 3.733 5.747 6.441 1.00 0.00 H new ATOM 0 HB ILE A 66 0.806 5.265 7.131 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.256 3.288 7.441 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.097 3.078 6.143 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.484 5.068 4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.054 6.690 5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.186 5.520 4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.286 2.193 5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.850 3.574 4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.027 3.787 5.797 1.00 0.00 H new ATOM 1089 N THR A 67 3.318 8.186 6.381 1.00 0.00 N ATOM 1090 CA THR A 67 3.183 9.637 6.417 1.00 0.00 C ATOM 1091 C THR A 67 2.599 10.167 5.112 1.00 0.00 C ATOM 1092 O THR A 67 2.260 9.396 4.216 1.00 0.00 O ATOM 1093 CB THR A 67 4.536 10.324 6.679 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.392 10.149 5.543 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.205 9.731 7.910 1.00 0.00 C ATOM 0 H THR A 67 4.070 7.847 5.780 1.00 0.00 H new ATOM 0 HA THR A 67 2.504 9.870 7.237 1.00 0.00 H new ATOM 0 HB THR A 67 4.360 11.386 6.849 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.252 10.588 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.160 10.228 8.080 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.562 9.874 8.778 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.373 8.665 7.755 1.00 0.00 H new ATOM 1103 N GLU A 68 2.483 11.487 5.015 1.00 0.00 N ATOM 1104 CA GLU A 68 1.988 12.121 3.799 1.00 0.00 C ATOM 1105 C GLU A 68 2.967 11.926 2.645 1.00 0.00 C ATOM 1106 O GLU A 68 2.619 12.122 1.480 1.00 0.00 O ATOM 1107 CB GLU A 68 1.740 13.613 4.034 1.00 0.00 C ATOM 1108 CG GLU A 68 0.554 13.919 4.939 1.00 0.00 C ATOM 1109 CD GLU A 68 0.449 15.391 5.222 1.00 0.00 C ATOM 1110 OE1 GLU A 68 1.304 16.123 4.786 1.00 0.00 O ATOM 1111 OE2 GLU A 68 -0.545 15.800 5.776 1.00 0.00 O ATOM 0 H GLU A 68 2.725 12.138 5.763 1.00 0.00 H new ATOM 0 HA GLU A 68 1.044 11.646 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.637 14.054 4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.581 14.099 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.365 13.571 4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.659 13.373 5.876 1.00 0.00 H new ATOM 1118 N PHE A 69 4.194 11.538 2.977 1.00 0.00 N ATOM 1119 CA PHE A 69 5.233 11.342 1.973 1.00 0.00 C ATOM 1120 C PHE A 69 5.575 9.863 1.824 1.00 0.00 C ATOM 1121 O PHE A 69 6.616 9.507 1.272 1.00 0.00 O ATOM 1122 CB PHE A 69 6.486 12.141 2.334 1.00 0.00 C ATOM 1123 CG PHE A 69 6.252 13.621 2.440 1.00 0.00 C ATOM 1124 CD1 PHE A 69 6.189 14.412 1.304 1.00 0.00 C ATOM 1125 CD2 PHE A 69 6.091 14.224 3.679 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.974 15.773 1.400 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.876 15.586 3.779 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.817 16.360 2.640 1.00 0.00 C ATOM 0 H PHE A 69 4.493 11.353 3.934 1.00 0.00 H new ATOM 0 HA PHE A 69 4.851 11.703 1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.877 11.776 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.252 11.957 1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.310 13.959 0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.134 13.623 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.929 16.377 0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.754 16.044 4.750 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.648 17.424 2.717 1.00 0.00 H new ATOM 1138 N SER A 70 4.690 9.004 2.322 1.00 0.00 N ATOM 1139 CA SER A 70 4.945 7.568 2.340 1.00 0.00 C ATOM 1140 C SER A 70 5.263 7.055 0.939 1.00 0.00 C ATOM 1141 O SER A 70 4.574 7.388 -0.024 1.00 0.00 O ATOM 1142 CB SER A 70 3.751 6.834 2.919 1.00 0.00 C ATOM 1143 OG SER A 70 3.903 5.442 2.843 1.00 0.00 O ATOM 0 H SER A 70 3.791 9.278 2.718 1.00 0.00 H new ATOM 0 HA SER A 70 5.813 7.379 2.972 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.615 7.128 3.960 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.849 7.130 2.384 1.00 0.00 H new ATOM 0 HG SER A 70 4.692 5.171 3.357 1.00 0.00 H new ATOM 1149 N GLU A 71 6.310 6.243 0.836 1.00 0.00 N ATOM 1150 CA GLU A 71 6.650 5.593 -0.424 1.00 0.00 C ATOM 1151 C GLU A 71 6.660 4.075 -0.269 1.00 0.00 C ATOM 1152 O GLU A 71 7.445 3.525 0.504 1.00 0.00 O ATOM 1153 CB GLU A 71 8.009 6.082 -0.930 1.00 0.00 C ATOM 1154 CG GLU A 71 8.033 7.542 -1.359 1.00 0.00 C ATOM 1155 CD GLU A 71 9.383 7.933 -1.894 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.239 7.084 -1.968 1.00 0.00 O ATOM 1157 OE2 GLU A 71 9.526 9.050 -2.331 1.00 0.00 O ATOM 0 H GLU A 71 6.937 6.020 1.609 1.00 0.00 H new ATOM 0 HA GLU A 71 5.887 5.858 -1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.750 5.935 -0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.313 5.463 -1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.274 7.711 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.778 8.177 -0.510 1.00 0.00 H new ATOM 1164 N ILE A 72 5.783 3.404 -1.009 1.00 0.00 N ATOM 1165 CA ILE A 72 5.635 1.960 -0.895 1.00 0.00 C ATOM 1166 C ILE A 72 5.950 1.269 -2.216 1.00 0.00 C ATOM 1167 O ILE A 72 5.627 1.780 -3.290 1.00 0.00 O ATOM 1168 CB ILE A 72 4.214 1.571 -0.447 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.178 2.095 -1.445 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.931 2.105 0.948 1.00 0.00 C ATOM 1171 CD1 ILE A 72 1.773 1.602 -1.183 1.00 0.00 C ATOM 0 H ILE A 72 5.165 3.839 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 72 6.346 1.629 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 72 4.145 0.484 -0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.181 3.185 -1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.475 1.799 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.923 1.821 1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.651 1.686 1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.016 3.192 0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.097 2.016 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.753 0.514 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.455 1.921 -0.190 1.00 0.00 H new ATOM 1183 N VAL A 73 6.582 0.102 -2.133 1.00 0.00 N ATOM 1184 CA VAL A 73 6.876 -0.695 -3.317 1.00 0.00 C ATOM 1185 C VAL A 73 5.986 -1.930 -3.384 1.00 0.00 C ATOM 1186 O VAL A 73 5.923 -2.715 -2.438 1.00 0.00 O ATOM 1187 CB VAL A 73 8.352 -1.134 -3.351 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.624 -1.993 -4.577 1.00 0.00 C ATOM 1189 CG2 VAL A 73 9.270 0.079 -3.338 1.00 0.00 C ATOM 0 H VAL A 73 6.900 -0.312 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 73 6.677 -0.060 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 73 8.554 -1.729 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.672 -2.294 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.991 -2.880 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.404 -1.421 -5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.309 -0.251 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.066 0.699 -4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.094 0.658 -2.432 1.00 0.00 H new ATOM 1199 N VAL A 74 5.298 -2.098 -4.510 1.00 0.00 N ATOM 1200 CA VAL A 74 4.226 -3.081 -4.613 1.00 0.00 C ATOM 1201 C VAL A 74 4.481 -4.054 -5.758 1.00 0.00 C ATOM 1202 O VAL A 74 4.856 -3.650 -6.858 1.00 0.00 O ATOM 1203 CB VAL A 74 2.857 -2.406 -4.819 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.748 -3.448 -4.846 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.597 -1.382 -3.725 1.00 0.00 C ATOM 0 H VAL A 74 5.465 -1.565 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 74 4.210 -3.629 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 74 2.869 -1.889 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.788 -2.954 -4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.925 -4.146 -5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.736 -3.991 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.625 -0.915 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.604 -1.877 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.375 -0.619 -3.749 1.00 0.00 H new ATOM 1215 N PHE A 75 4.274 -5.339 -5.491 1.00 0.00 N ATOM 1216 CA PHE A 75 4.502 -6.375 -6.492 1.00 0.00 C ATOM 1217 C PHE A 75 3.204 -7.108 -6.823 1.00 0.00 C ATOM 1218 O PHE A 75 2.383 -7.367 -5.941 1.00 0.00 O ATOM 1219 CB PHE A 75 5.560 -7.366 -6.008 1.00 0.00 C ATOM 1220 CG PHE A 75 6.900 -6.741 -5.743 1.00 0.00 C ATOM 1221 CD1 PHE A 75 7.823 -6.584 -6.767 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.241 -6.306 -4.471 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.056 -6.011 -6.525 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.473 -5.730 -4.227 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.381 -5.583 -5.255 1.00 0.00 C ATOM 0 H PHE A 75 3.949 -5.688 -4.590 1.00 0.00 H new ATOM 0 HA PHE A 75 4.865 -5.892 -7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.206 -7.844 -5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.677 -8.152 -6.755 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.574 -6.914 -7.765 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.535 -6.419 -3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.766 -5.898 -7.331 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.725 -5.395 -3.232 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.345 -5.134 -5.066 1.00 0.00 H new ATOM 1235 N LEU A 76 3.026 -7.438 -8.097 1.00 0.00 N ATOM 1236 CA LEU A 76 1.808 -8.099 -8.552 1.00 0.00 C ATOM 1237 C LEU A 76 2.034 -9.596 -8.730 1.00 0.00 C ATOM 1238 O LEU A 76 3.050 -10.020 -9.282 1.00 0.00 O ATOM 1239 CB LEU A 76 1.321 -7.471 -9.863 1.00 0.00 C ATOM 1240 CG LEU A 76 1.021 -5.967 -9.795 1.00 0.00 C ATOM 1241 CD1 LEU A 76 0.659 -5.444 -11.179 1.00 0.00 C ATOM 1242 CD2 LEU A 76 -0.111 -5.718 -8.811 1.00 0.00 C ATOM 0 H LEU A 76 3.709 -7.259 -8.833 1.00 0.00 H new ATOM 0 HA LEU A 76 1.040 -7.961 -7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.076 -7.640 -10.631 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.418 -7.991 -10.183 1.00 0.00 H new ATOM 0 HG LEU A 76 1.907 -5.435 -9.451 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.448 -4.376 -11.121 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.492 -5.612 -11.861 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.223 -5.969 -11.547 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.323 -4.650 -8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.003 -6.251 -9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.181 -6.074 -7.823 1.00 0.00 H new ATOM 1254 N LYS A 77 1.080 -10.394 -8.264 1.00 0.00 N ATOM 1255 CA LYS A 77 1.145 -11.841 -8.426 1.00 0.00 C ATOM 1256 C LYS A 77 -0.130 -12.374 -9.074 1.00 0.00 C ATOM 1257 O LYS A 77 -0.890 -13.115 -8.451 1.00 0.00 O ATOM 1258 CB LYS A 77 1.377 -12.523 -7.076 1.00 0.00 C ATOM 1259 CG LYS A 77 2.687 -12.147 -6.398 1.00 0.00 C ATOM 1260 CD LYS A 77 3.885 -12.582 -7.229 1.00 0.00 C ATOM 1261 CE LYS A 77 5.195 -12.205 -6.552 1.00 0.00 C ATOM 1262 NZ LYS A 77 6.374 -12.566 -7.384 1.00 0.00 N ATOM 0 H LYS A 77 0.251 -10.062 -7.770 1.00 0.00 H new ATOM 0 HA LYS A 77 1.985 -12.069 -9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.552 -12.272 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.353 -13.603 -7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.722 -11.069 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.736 -12.613 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.850 -13.660 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.835 -12.117 -8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.206 -11.133 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.263 -12.709 -5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.246 -12.293 -6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.379 -13.592 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.323 -12.066 -8.294 1.00 0.00 H new ATOM 1276 N SER A 78 -0.356 -11.992 -10.327 1.00 0.00 N ATOM 1277 CA SER A 78 -1.442 -12.560 -11.115 1.00 0.00 C ATOM 1278 C SER A 78 -1.197 -12.355 -12.607 1.00 0.00 C ATOM 1279 O SER A 78 -0.411 -11.495 -13.004 1.00 0.00 O ATOM 1280 CB SER A 78 -2.765 -11.944 -10.704 1.00 0.00 C ATOM 1281 OG SER A 78 -2.863 -10.601 -11.092 1.00 0.00 O ATOM 0 H SER A 78 0.199 -11.291 -10.818 1.00 0.00 H new ATOM 0 HA SER A 78 -1.480 -13.632 -10.924 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.583 -12.511 -11.150 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.879 -12.018 -9.622 1.00 0.00 H new ATOM 0 HG SER A 78 -3.806 -10.333 -11.108 1.00 0.00 H new ATOM 1287 N ILE A 79 -1.874 -13.151 -13.427 1.00 0.00 N ATOM 1288 CA ILE A 79 -1.757 -13.034 -14.875 1.00 0.00 C ATOM 1289 C ILE A 79 -3.027 -12.449 -15.484 1.00 0.00 C ATOM 1290 O ILE A 79 -2.982 -11.448 -16.195 1.00 0.00 O ATOM 1291 CB ILE A 79 -1.461 -14.395 -15.530 1.00 0.00 C ATOM 1292 CG1 ILE A 79 -0.130 -14.954 -15.022 1.00 0.00 C ATOM 1293 CG2 ILE A 79 -1.444 -14.264 -17.044 1.00 0.00 C ATOM 1294 CD1 ILE A 79 0.152 -16.368 -15.478 1.00 0.00 C ATOM 0 H ILE A 79 -2.510 -13.884 -13.113 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.922 -12.361 -15.070 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.253 -15.091 -15.255 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.678 -14.305 -15.360 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.127 -14.926 -13.932 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.233 -15.236 -17.491 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.415 -13.909 -17.389 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.672 -13.554 -17.339 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.112 -16.695 -15.078 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.635 -17.030 -15.118 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.183 -16.400 -16.567 1.00 0.00 H new ATOM 1306 N ASN A 80 -4.160 -13.084 -15.198 1.00 0.00 N ATOM 1307 CA ASN A 80 -5.436 -12.660 -15.760 1.00 0.00 C ATOM 1308 C ASN A 80 -5.894 -11.343 -15.140 1.00 0.00 C ATOM 1309 O ASN A 80 -5.585 -11.051 -13.984 1.00 0.00 O ATOM 1310 CB ASN A 80 -6.503 -13.725 -15.585 1.00 0.00 C ATOM 1311 CG ASN A 80 -6.300 -14.934 -16.455 1.00 0.00 C ATOM 1312 OD1 ASN A 80 -5.620 -14.875 -17.485 1.00 0.00 O ATOM 1313 ND2 ASN A 80 -6.953 -16.008 -16.091 1.00 0.00 N ATOM 0 H ASN A 80 -4.219 -13.894 -14.580 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.286 -12.507 -16.829 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.523 -14.039 -14.541 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.478 -13.290 -15.805 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.914 -16.848 -16.668 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.501 -16.005 -15.230 1.00 0.00 H new ATOM 1320 N ARG A 81 -6.631 -10.555 -15.914 1.00 0.00 N ATOM 1321 CA ARG A 81 -7.104 -9.255 -15.452 1.00 0.00 C ATOM 1322 C ARG A 81 -8.555 -9.338 -14.990 1.00 0.00 C ATOM 1323 O ARG A 81 -9.294 -10.238 -15.389 1.00 0.00 O ATOM 1324 CB ARG A 81 -6.910 -8.167 -16.496 1.00 0.00 C ATOM 1325 CG ARG A 81 -5.464 -7.903 -16.884 1.00 0.00 C ATOM 1326 CD ARG A 81 -5.285 -6.811 -17.875 1.00 0.00 C ATOM 1327 NE ARG A 81 -3.919 -6.638 -18.341 1.00 0.00 N ATOM 1328 CZ ARG A 81 -3.547 -5.798 -19.326 1.00 0.00 C ATOM 1329 NH1 ARG A 81 -4.437 -5.083 -19.979 1.00 0.00 N ATOM 1330 NH2 ARG A 81 -2.264 -5.731 -19.639 1.00 0.00 N ATOM 0 H ARG A 81 -6.914 -10.793 -16.864 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.493 -8.973 -14.595 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.467 -8.440 -17.392 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.345 -7.241 -16.120 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.898 -7.658 -15.985 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.036 -8.820 -17.290 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.926 -7.008 -18.734 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.625 -5.875 -17.431 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.191 -7.192 -17.890 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.426 -5.160 -19.742 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.138 -4.452 -20.722 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.586 -6.306 -19.139 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.952 -5.104 -20.381 1.00 0.00 H new ATOM 1344 N ALA A 82 -8.958 -8.393 -14.147 1.00 0.00 N ATOM 1345 CA ALA A 82 -10.333 -8.332 -13.668 1.00 0.00 C ATOM 1346 C ALA A 82 -10.723 -6.905 -13.296 1.00 0.00 C ATOM 1347 O ALA A 82 -9.879 -6.105 -12.892 1.00 0.00 O ATOM 1348 CB ALA A 82 -10.518 -9.259 -12.475 1.00 0.00 C ATOM 0 H ALA A 82 -8.351 -7.659 -13.782 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.987 -8.661 -14.475 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.550 -9.203 -12.128 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.290 -10.283 -12.771 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.847 -8.956 -11.671 1.00 0.00 H new ATOM 1354 N LYS A 83 -12.007 -6.592 -13.439 1.00 0.00 N ATOM 1355 CA LYS A 83 -12.513 -5.267 -13.099 1.00 0.00 C ATOM 1356 C LYS A 83 -12.360 -4.993 -11.606 1.00 0.00 C ATOM 1357 O LYS A 83 -11.651 -4.072 -11.203 1.00 0.00 O ATOM 1358 CB LYS A 83 -13.978 -5.128 -13.515 1.00 0.00 C ATOM 1359 CG LYS A 83 -14.594 -3.770 -13.206 1.00 0.00 C ATOM 1360 CD LYS A 83 -16.036 -3.695 -13.687 1.00 0.00 C ATOM 1361 CE LYS A 83 -16.656 -2.343 -13.367 1.00 0.00 C ATOM 1362 NZ LYS A 83 -18.075 -2.263 -13.809 1.00 0.00 N ATOM 0 H LYS A 83 -12.716 -7.237 -13.788 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.924 -4.531 -13.645 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.058 -5.314 -14.586 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -14.560 -5.900 -13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.557 -3.587 -12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -14.008 -2.985 -13.684 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.072 -3.869 -14.762 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.620 -4.486 -13.216 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.600 -2.163 -12.293 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.080 -1.556 -13.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.460 -1.326 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.127 -2.409 -14.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.631 -2.998 -13.326 1.00 0.00 H new ATOM 1376 N ASP A 84 -13.030 -5.801 -10.790 1.00 0.00 N ATOM 1377 CA ASP A 84 -12.864 -5.734 -9.343 1.00 0.00 C ATOM 1378 C ASP A 84 -11.600 -6.467 -8.906 1.00 0.00 C ATOM 1379 O ASP A 84 -11.699 -7.561 -8.353 1.00 0.00 O ATOM 1380 CB ASP A 84 -14.087 -6.321 -8.634 1.00 0.00 C ATOM 1381 CG ASP A 84 -14.049 -6.205 -7.116 1.00 0.00 C ATOM 1382 OD1 ASP A 84 -13.062 -5.737 -6.599 1.00 0.00 O ATOM 1383 OD2 ASP A 84 -15.061 -6.436 -6.497 1.00 0.00 O ATOM 1384 OXT ASP A 84 -10.523 -5.975 -9.103 1.00 0.00 O ATOM 0 H ASP A 84 -13.692 -6.509 -11.106 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.767 -4.685 -9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.981 -5.819 -9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.178 -7.373 -8.904 1.00 0.00 H new TER 1389 ASP A 84