USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 857 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 21 GLN : amide:sc= -0.857 X(o=-2.3,f=-2.3) USER MOD Set 1.2: A 32 GLN : amide:sc= 0 X(o=-2.3,f=-2.4) USER MOD Set 1.3: A 34 MET CE :methyl 157:sc= -1.36 (180deg=-1.94!) USER MOD Set 1.4: A 88 SER OG : rot 180:sc= -0.0447 USER MOD Set 2.1: A 17 SER OG : rot -53:sc= 0.0734 USER MOD Set 2.2: A 50 TYR OH : rot -9:sc= 1.83 USER MOD Set 3.1: A 4 GLN : amide:sc= -0.0831 K(o=-0.59,f=0.49) USER MOD Set 3.2: A 8 GLN : amide:sc= -0.508 K(o=-0.59,f=0.49) USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0252) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -170:sc= -1.39! USER MOD Single : A 13 LYS NZ :NH3+ -115:sc= 0.898 (180deg=-0.284) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.1 K(o=-0.1,f=-2.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 42 SER OG : rot -40:sc= 0.494 USER MOD Single : A 45 MET CE :methyl -177:sc= -0.444 (180deg=-0.479) USER MOD Single : A 46 ASN : amide:sc= 0.459 X(o=0.46,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.33 K(o=-1.3,f=-5.8!) USER MOD Single : A 53 HIS : no HD1:sc= 1.15 K(o=1.1,f=-3.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 69 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 75 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 76 GLN : amide:sc= -2.54! K(o=-2.5!,f=-1.3) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 163:sc= -0.226 (180deg=-0.491) USER MOD Single : A 98 SER OG : rot -26:sc= 0.215 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.865 -0.296 0.889 1.00 0.00 N ATOM 2 CA MET A 1 -10.702 -0.543 0.015 1.00 52.33 C ATOM 3 C MET A 1 -10.834 -1.911 -0.670 1.00 75.32 C ATOM 4 O MET A 1 -10.930 -2.941 0.007 1.00 20.33 O ATOM 5 CB MET A 1 -9.374 -0.487 0.816 1.00 34.04 C ATOM 6 CG MET A 1 -8.111 -0.776 -0.022 1.00 11.44 C ATOM 7 SD MET A 1 -7.779 0.491 -1.258 1.00 53.13 S ATOM 8 CE MET A 1 -7.117 1.815 -0.252 1.00 41.10 C ATOM 0 H1 MET A 1 -11.764 0.632 1.347 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.736 -0.309 0.320 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.916 -1.037 1.617 1.00 0.00 H new ATOM 0 HA MET A 1 -10.681 0.242 -0.741 1.00 52.33 H new ATOM 0 HB2 MET A 1 -9.278 0.500 1.267 1.00 34.04 H new ATOM 0 HB3 MET A 1 -9.426 -1.207 1.633 1.00 34.04 H new ATOM 0 HG2 MET A 1 -7.252 -0.860 0.644 1.00 11.44 H new ATOM 0 HG3 MET A 1 -8.224 -1.739 -0.519 1.00 11.44 H new ATOM 0 HE1 MET A 1 -6.786 2.630 -0.895 1.00 41.10 H new ATOM 0 HE2 MET A 1 -7.890 2.179 0.425 1.00 41.10 H new ATOM 0 HE3 MET A 1 -6.272 1.444 0.328 1.00 41.10 H new ATOM 20 N THR A 2 -10.846 -1.905 -2.008 1.00 4.54 N ATOM 21 CA THR A 2 -10.686 -3.121 -2.831 1.00 75.25 C ATOM 22 C THR A 2 -9.250 -3.131 -3.386 1.00 34.24 C ATOM 23 O THR A 2 -8.528 -2.129 -3.259 1.00 74.12 O ATOM 24 CB THR A 2 -11.714 -3.178 -4.016 1.00 10.35 C ATOM 25 OG1 THR A 2 -11.430 -2.152 -4.972 1.00 70.44 O ATOM 26 CG2 THR A 2 -13.171 -3.031 -3.547 1.00 3.01 C ATOM 0 H THR A 2 -10.967 -1.055 -2.558 1.00 4.54 H new ATOM 0 HA THR A 2 -10.876 -3.994 -2.207 1.00 75.25 H new ATOM 0 HB THR A 2 -11.605 -4.163 -4.470 1.00 10.35 H new ATOM 0 HG1 THR A 2 -12.164 -2.096 -5.619 1.00 70.44 H new ATOM 0 HG21 THR A 2 -13.837 -3.078 -4.409 1.00 3.01 H new ATOM 0 HG22 THR A 2 -13.414 -3.838 -2.856 1.00 3.01 H new ATOM 0 HG23 THR A 2 -13.296 -2.072 -3.043 1.00 3.01 H new ATOM 34 N GLY A 3 -8.825 -4.268 -3.973 1.00 62.22 N ATOM 35 CA GLY A 3 -7.520 -4.361 -4.642 1.00 72.44 C ATOM 36 C GLY A 3 -7.406 -3.382 -5.808 1.00 60.31 C ATOM 37 O GLY A 3 -6.312 -2.920 -6.152 1.00 63.43 O ATOM 0 H GLY A 3 -9.368 -5.131 -3.995 1.00 62.22 H new ATOM 0 HA2 GLY A 3 -6.728 -4.160 -3.921 1.00 72.44 H new ATOM 0 HA3 GLY A 3 -7.370 -5.378 -5.006 1.00 72.44 H new ATOM 41 N GLN A 4 -8.575 -3.076 -6.404 1.00 34.41 N ATOM 42 CA GLN A 4 -8.721 -2.108 -7.492 1.00 52.23 C ATOM 43 C GLN A 4 -8.517 -0.677 -6.964 1.00 13.13 C ATOM 44 O GLN A 4 -7.761 0.088 -7.552 1.00 73.11 O ATOM 45 CB GLN A 4 -10.117 -2.264 -8.161 1.00 11.03 C ATOM 46 CG GLN A 4 -10.336 -1.404 -9.430 1.00 25.24 C ATOM 47 CD GLN A 4 -9.370 -1.733 -10.582 1.00 55.50 C ATOM 48 OE1 GLN A 4 -8.920 -2.869 -10.747 1.00 51.10 O ATOM 49 NE2 GLN A 4 -9.068 -0.745 -11.405 1.00 5.42 N ATOM 0 H GLN A 4 -9.458 -3.508 -6.132 1.00 34.41 H new ATOM 0 HA GLN A 4 -7.958 -2.301 -8.246 1.00 52.23 H new ATOM 0 HB2 GLN A 4 -10.263 -3.312 -8.422 1.00 11.03 H new ATOM 0 HB3 GLN A 4 -10.884 -2.007 -7.430 1.00 11.03 H new ATOM 0 HG2 GLN A 4 -11.360 -1.541 -9.777 1.00 25.24 H new ATOM 0 HG3 GLN A 4 -10.227 -0.352 -9.167 1.00 25.24 H new ATOM 0 HE21 GLN A 4 -9.453 0.186 -11.247 1.00 5.42 H new ATOM 0 HE22 GLN A 4 -8.450 -0.913 -12.199 1.00 5.42 H new ATOM 58 N GLU A 5 -9.172 -0.344 -5.831 1.00 44.03 N ATOM 59 CA GLU A 5 -9.085 1.001 -5.221 1.00 73.31 C ATOM 60 C GLU A 5 -7.650 1.321 -4.785 1.00 61.15 C ATOM 61 O GLU A 5 -7.202 2.468 -4.879 1.00 22.23 O ATOM 62 CB GLU A 5 -10.040 1.113 -4.004 1.00 73.30 C ATOM 63 CG GLU A 5 -11.533 0.942 -4.337 1.00 72.15 C ATOM 64 CD GLU A 5 -12.046 1.945 -5.382 1.00 51.24 C ATOM 65 OE1 GLU A 5 -12.338 3.102 -5.010 1.00 60.12 O ATOM 66 OE2 GLU A 5 -12.170 1.589 -6.576 1.00 14.52 O ATOM 0 H GLU A 5 -9.770 -0.992 -5.318 1.00 44.03 H new ATOM 0 HA GLU A 5 -9.386 1.725 -5.978 1.00 73.31 H new ATOM 0 HB2 GLU A 5 -9.758 0.360 -3.268 1.00 73.30 H new ATOM 0 HB3 GLU A 5 -9.896 2.086 -3.535 1.00 73.30 H new ATOM 0 HG2 GLU A 5 -11.702 -0.071 -4.703 1.00 72.15 H new ATOM 0 HG3 GLU A 5 -12.116 1.052 -3.423 1.00 72.15 H new ATOM 73 N LEU A 6 -6.952 0.276 -4.302 1.00 53.42 N ATOM 74 CA LEU A 6 -5.567 0.369 -3.861 1.00 12.13 C ATOM 75 C LEU A 6 -4.660 0.796 -5.028 1.00 25.44 C ATOM 76 O LEU A 6 -3.922 1.770 -4.899 1.00 21.01 O ATOM 77 CB LEU A 6 -5.109 -0.978 -3.249 1.00 54.05 C ATOM 78 CG LEU A 6 -3.674 -0.997 -2.629 1.00 13.34 C ATOM 79 CD1 LEU A 6 -3.499 0.074 -1.524 1.00 0.42 C ATOM 80 CD2 LEU A 6 -3.331 -2.396 -2.100 1.00 54.04 C ATOM 0 H LEU A 6 -7.346 -0.660 -4.210 1.00 53.42 H new ATOM 0 HA LEU A 6 -5.491 1.132 -3.086 1.00 12.13 H new ATOM 0 HB2 LEU A 6 -5.821 -1.263 -2.475 1.00 54.05 H new ATOM 0 HB3 LEU A 6 -5.158 -1.742 -4.025 1.00 54.05 H new ATOM 0 HG LEU A 6 -2.974 -0.746 -3.426 1.00 13.34 H new ATOM 0 HD11 LEU A 6 -2.486 0.022 -1.124 1.00 0.42 H new ATOM 0 HD12 LEU A 6 -3.672 1.064 -1.946 1.00 0.42 H new ATOM 0 HD13 LEU A 6 -4.216 -0.109 -0.723 1.00 0.42 H new ATOM 0 HD21 LEU A 6 -2.328 -2.388 -1.673 1.00 54.04 H new ATOM 0 HD22 LEU A 6 -4.050 -2.681 -1.332 1.00 54.04 H new ATOM 0 HD23 LEU A 6 -3.370 -3.114 -2.919 1.00 54.04 H new ATOM 92 N ARG A 7 -4.777 0.098 -6.182 1.00 70.43 N ATOM 93 CA ARG A 7 -3.926 0.380 -7.351 1.00 23.41 C ATOM 94 C ARG A 7 -4.281 1.731 -7.998 1.00 54.31 C ATOM 95 O ARG A 7 -3.394 2.421 -8.476 1.00 22.44 O ATOM 96 CB ARG A 7 -3.982 -0.743 -8.416 1.00 53.13 C ATOM 97 CG ARG A 7 -5.269 -0.839 -9.270 1.00 45.22 C ATOM 98 CD ARG A 7 -5.166 -1.878 -10.401 1.00 11.42 C ATOM 99 NE ARG A 7 -3.971 -1.657 -11.248 1.00 21.10 N ATOM 100 CZ ARG A 7 -3.825 -2.058 -12.521 1.00 1.03 C ATOM 101 NH1 ARG A 7 -4.789 -2.703 -13.160 1.00 12.03 N ATOM 102 NH2 ARG A 7 -2.692 -1.810 -13.147 1.00 64.55 N ATOM 0 H ARG A 7 -5.448 -0.657 -6.323 1.00 70.43 H new ATOM 0 HA ARG A 7 -2.905 0.427 -6.971 1.00 23.41 H new ATOM 0 HB2 ARG A 7 -3.137 -0.612 -9.091 1.00 53.13 H new ATOM 0 HB3 ARG A 7 -3.840 -1.698 -7.909 1.00 53.13 H new ATOM 0 HG2 ARG A 7 -6.108 -1.096 -8.624 1.00 45.22 H new ATOM 0 HG3 ARG A 7 -5.486 0.138 -9.701 1.00 45.22 H new ATOM 0 HD2 ARG A 7 -5.126 -2.879 -9.972 1.00 11.42 H new ATOM 0 HD3 ARG A 7 -6.063 -1.832 -11.019 1.00 11.42 H new ATOM 0 HE ARG A 7 -3.189 -1.155 -10.826 1.00 21.10 H new ATOM 0 HH11 ARG A 7 -5.668 -2.906 -12.685 1.00 12.03 H new ATOM 0 HH12 ARG A 7 -4.652 -2.997 -14.127 1.00 12.03 H new ATOM 0 HH21 ARG A 7 -1.939 -1.319 -12.664 1.00 64.55 H new ATOM 0 HH22 ARG A 7 -2.568 -2.109 -14.114 1.00 64.55 H new ATOM 116 N GLN A 8 -5.587 2.093 -7.992 1.00 64.23 N ATOM 117 CA GLN A 8 -6.079 3.345 -8.607 1.00 5.34 C ATOM 118 C GLN A 8 -5.564 4.568 -7.842 1.00 4.35 C ATOM 119 O GLN A 8 -5.292 5.603 -8.431 1.00 54.45 O ATOM 120 CB GLN A 8 -7.632 3.364 -8.678 1.00 34.42 C ATOM 121 CG GLN A 8 -8.225 2.368 -9.694 1.00 34.21 C ATOM 122 CD GLN A 8 -7.812 2.633 -11.151 1.00 22.14 C ATOM 123 OE1 GLN A 8 -7.636 1.703 -11.937 1.00 34.50 O ATOM 124 NE2 GLN A 8 -7.722 3.895 -11.547 1.00 42.11 N ATOM 0 H GLN A 8 -6.321 1.529 -7.564 1.00 64.23 H new ATOM 0 HA GLN A 8 -5.693 3.387 -9.625 1.00 5.34 H new ATOM 0 HB2 GLN A 8 -8.033 3.141 -7.689 1.00 34.42 H new ATOM 0 HB3 GLN A 8 -7.961 4.370 -8.936 1.00 34.42 H new ATOM 0 HG2 GLN A 8 -7.917 1.359 -9.419 1.00 34.21 H new ATOM 0 HG3 GLN A 8 -9.312 2.400 -9.625 1.00 34.21 H new ATOM 0 HE21 GLN A 8 -7.872 4.651 -10.879 1.00 42.11 H new ATOM 0 HE22 GLN A 8 -7.503 4.110 -12.520 1.00 42.11 H new ATOM 133 N LEU A 9 -5.430 4.413 -6.518 1.00 70.24 N ATOM 134 CA LEU A 9 -4.830 5.424 -5.636 1.00 2.42 C ATOM 135 C LEU A 9 -3.365 5.706 -6.055 1.00 5.14 C ATOM 136 O LEU A 9 -2.928 6.854 -6.088 1.00 40.43 O ATOM 137 CB LEU A 9 -4.908 4.913 -4.181 1.00 51.52 C ATOM 138 CG LEU A 9 -4.313 5.833 -3.074 1.00 53.23 C ATOM 139 CD1 LEU A 9 -5.055 7.189 -2.977 1.00 35.12 C ATOM 140 CD2 LEU A 9 -4.304 5.094 -1.727 1.00 72.24 C ATOM 0 H LEU A 9 -5.738 3.575 -6.024 1.00 70.24 H new ATOM 0 HA LEU A 9 -5.376 6.364 -5.717 1.00 2.42 H new ATOM 0 HB2 LEU A 9 -5.956 4.730 -3.942 1.00 51.52 H new ATOM 0 HB3 LEU A 9 -4.397 3.951 -4.132 1.00 51.52 H new ATOM 0 HG LEU A 9 -3.285 6.069 -3.349 1.00 53.23 H new ATOM 0 HD11 LEU A 9 -4.604 7.795 -2.191 1.00 35.12 H new ATOM 0 HD12 LEU A 9 -4.979 7.714 -3.929 1.00 35.12 H new ATOM 0 HD13 LEU A 9 -6.105 7.013 -2.742 1.00 35.12 H new ATOM 0 HD21 LEU A 9 -3.886 5.744 -0.958 1.00 72.24 H new ATOM 0 HD22 LEU A 9 -5.323 4.820 -1.456 1.00 72.24 H new ATOM 0 HD23 LEU A 9 -3.696 4.193 -1.810 1.00 72.24 H new ATOM 152 N LEU A 10 -2.646 4.625 -6.415 1.00 2.44 N ATOM 153 CA LEU A 10 -1.241 4.685 -6.870 1.00 50.41 C ATOM 154 C LEU A 10 -1.171 5.218 -8.325 1.00 14.52 C ATOM 155 O LEU A 10 -0.219 5.897 -8.709 1.00 74.42 O ATOM 156 CB LEU A 10 -0.601 3.264 -6.776 1.00 33.52 C ATOM 157 CG LEU A 10 -0.889 2.465 -5.461 1.00 3.43 C ATOM 158 CD1 LEU A 10 -0.320 1.041 -5.521 1.00 12.31 C ATOM 159 CD2 LEU A 10 -0.397 3.206 -4.211 1.00 33.52 C ATOM 0 H LEU A 10 -3.026 3.678 -6.399 1.00 2.44 H new ATOM 0 HA LEU A 10 -0.684 5.368 -6.229 1.00 50.41 H new ATOM 0 HB2 LEU A 10 -0.953 2.672 -7.621 1.00 33.52 H new ATOM 0 HB3 LEU A 10 0.479 3.366 -6.886 1.00 33.52 H new ATOM 0 HG LEU A 10 -1.973 2.384 -5.381 1.00 3.43 H new ATOM 0 HD11 LEU A 10 -0.542 0.521 -4.589 1.00 12.31 H new ATOM 0 HD12 LEU A 10 -0.773 0.503 -6.353 1.00 12.31 H new ATOM 0 HD13 LEU A 10 0.760 1.086 -5.663 1.00 12.31 H new ATOM 0 HD21 LEU A 10 -0.620 2.612 -3.325 1.00 33.52 H new ATOM 0 HD22 LEU A 10 0.679 3.364 -4.281 1.00 33.52 H new ATOM 0 HD23 LEU A 10 -0.901 4.170 -4.138 1.00 33.52 H new ATOM 171 N LEU A 11 -2.214 4.895 -9.117 1.00 51.23 N ATOM 172 CA LEU A 11 -2.311 5.252 -10.552 1.00 34.21 C ATOM 173 C LEU A 11 -2.724 6.720 -10.757 1.00 42.53 C ATOM 174 O LEU A 11 -2.407 7.312 -11.789 1.00 45.31 O ATOM 175 CB LEU A 11 -3.316 4.304 -11.272 1.00 41.10 C ATOM 176 CG LEU A 11 -2.784 2.877 -11.598 1.00 53.31 C ATOM 177 CD1 LEU A 11 -3.920 1.918 -12.019 1.00 43.15 C ATOM 178 CD2 LEU A 11 -1.685 2.950 -12.677 1.00 65.41 C ATOM 0 H LEU A 11 -3.022 4.374 -8.777 1.00 51.23 H new ATOM 0 HA LEU A 11 -1.320 5.130 -10.988 1.00 34.21 H new ATOM 0 HB2 LEU A 11 -4.205 4.207 -10.649 1.00 41.10 H new ATOM 0 HB3 LEU A 11 -3.629 4.776 -12.203 1.00 41.10 H new ATOM 0 HG LEU A 11 -2.349 2.467 -10.686 1.00 53.31 H new ATOM 0 HD11 LEU A 11 -3.504 0.934 -12.237 1.00 43.15 H new ATOM 0 HD12 LEU A 11 -4.644 1.834 -11.209 1.00 43.15 H new ATOM 0 HD13 LEU A 11 -4.414 2.308 -12.909 1.00 43.15 H new ATOM 0 HD21 LEU A 11 -1.322 1.946 -12.895 1.00 65.41 H new ATOM 0 HD22 LEU A 11 -2.095 3.393 -13.585 1.00 65.41 H new ATOM 0 HD23 LEU A 11 -0.860 3.563 -12.315 1.00 65.41 H new ATOM 190 N ASP A 12 -3.455 7.287 -9.785 1.00 53.55 N ATOM 191 CA ASP A 12 -3.888 8.703 -9.822 1.00 51.14 C ATOM 192 C ASP A 12 -2.808 9.591 -9.221 1.00 24.11 C ATOM 193 O ASP A 12 -2.485 10.648 -9.778 1.00 31.31 O ATOM 194 CB ASP A 12 -5.239 8.916 -9.069 1.00 3.32 C ATOM 195 CG ASP A 12 -6.467 8.504 -9.903 1.00 70.53 C ATOM 196 OD1 ASP A 12 -6.839 9.254 -10.832 1.00 32.23 O ATOM 197 OD2 ASP A 12 -7.082 7.446 -9.636 1.00 21.43 O ATOM 0 H ASP A 12 -3.764 6.785 -8.953 1.00 53.55 H new ATOM 0 HA ASP A 12 -4.046 8.976 -10.865 1.00 51.14 H new ATOM 0 HB2 ASP A 12 -5.227 8.341 -8.143 1.00 3.32 H new ATOM 0 HB3 ASP A 12 -5.332 9.966 -8.791 1.00 3.32 H new ATOM 202 N LYS A 13 -2.236 9.159 -8.085 1.00 44.04 N ATOM 203 CA LYS A 13 -1.284 9.991 -7.331 1.00 52.04 C ATOM 204 C LYS A 13 0.116 9.937 -7.955 1.00 34.23 C ATOM 205 O LYS A 13 0.769 10.971 -8.107 1.00 24.20 O ATOM 206 CB LYS A 13 -1.226 9.565 -5.839 1.00 61.32 C ATOM 207 CG LYS A 13 -0.498 10.577 -4.921 1.00 72.53 C ATOM 208 CD LYS A 13 -1.224 11.940 -4.877 1.00 72.53 C ATOM 209 CE LYS A 13 -0.519 12.964 -3.979 1.00 55.42 C ATOM 210 NZ LYS A 13 0.896 13.198 -4.372 1.00 13.13 N ATOM 0 H LYS A 13 -2.415 8.244 -7.671 1.00 44.04 H new ATOM 0 HA LYS A 13 -1.641 11.020 -7.380 1.00 52.04 H new ATOM 0 HB2 LYS A 13 -2.243 9.424 -5.473 1.00 61.32 H new ATOM 0 HB3 LYS A 13 -0.725 8.600 -5.767 1.00 61.32 H new ATOM 0 HG2 LYS A 13 -0.430 10.169 -3.913 1.00 72.53 H new ATOM 0 HG3 LYS A 13 0.523 10.720 -5.276 1.00 72.53 H new ATOM 0 HD2 LYS A 13 -1.296 12.340 -5.888 1.00 72.53 H new ATOM 0 HD3 LYS A 13 -2.243 11.792 -4.520 1.00 72.53 H new ATOM 0 HE2 LYS A 13 -1.062 13.908 -4.016 1.00 55.42 H new ATOM 0 HE3 LYS A 13 -0.552 12.618 -2.946 1.00 55.42 H new ATOM 0 HZ1 LYS A 13 1.526 12.871 -3.612 1.00 13.13 H new ATOM 0 HZ2 LYS A 13 1.105 12.673 -5.245 1.00 13.13 H new ATOM 0 HZ3 LYS A 13 1.048 14.214 -4.534 1.00 13.13 H new ATOM 224 N TRP A 14 0.570 8.721 -8.312 1.00 42.40 N ATOM 225 CA TRP A 14 1.953 8.481 -8.791 1.00 62.51 C ATOM 226 C TRP A 14 2.001 8.023 -10.259 1.00 33.00 C ATOM 227 O TRP A 14 3.089 7.967 -10.852 1.00 4.41 O ATOM 228 CB TRP A 14 2.645 7.445 -7.877 1.00 31.13 C ATOM 229 CG TRP A 14 2.826 7.906 -6.452 1.00 64.45 C ATOM 230 CD1 TRP A 14 3.215 9.143 -6.054 1.00 43.33 C ATOM 231 CD2 TRP A 14 2.659 7.142 -5.245 1.00 13.35 C ATOM 232 NE1 TRP A 14 3.279 9.208 -4.695 1.00 15.31 N ATOM 233 CE2 TRP A 14 2.954 8.000 -4.172 1.00 53.11 C ATOM 234 CE3 TRP A 14 2.293 5.831 -4.966 1.00 53.01 C ATOM 235 CZ2 TRP A 14 2.898 7.595 -2.845 1.00 75.35 C ATOM 236 CZ3 TRP A 14 2.238 5.426 -3.646 1.00 71.21 C ATOM 237 CH2 TRP A 14 2.540 6.302 -2.601 1.00 31.21 C ATOM 0 H TRP A 14 -0.004 7.879 -8.279 1.00 42.40 H new ATOM 0 HA TRP A 14 2.487 9.430 -8.744 1.00 62.51 H new ATOM 0 HB2 TRP A 14 2.059 6.526 -7.879 1.00 31.13 H new ATOM 0 HB3 TRP A 14 3.621 7.201 -8.296 1.00 31.13 H new ATOM 0 HD1 TRP A 14 3.442 9.961 -6.721 1.00 43.33 H new ATOM 0 HE1 TRP A 14 3.532 10.036 -4.155 1.00 15.31 H new ATOM 0 HE3 TRP A 14 2.056 5.143 -5.764 1.00 53.01 H new ATOM 0 HZ2 TRP A 14 3.129 8.276 -2.039 1.00 75.35 H new ATOM 0 HZ3 TRP A 14 1.955 4.409 -3.417 1.00 71.21 H new ATOM 0 HH2 TRP A 14 2.489 5.949 -1.582 1.00 31.21 H new ATOM 248 N GLY A 15 0.836 7.690 -10.841 1.00 33.01 N ATOM 249 CA GLY A 15 0.749 7.360 -12.275 1.00 1.21 C ATOM 250 C GLY A 15 1.187 5.938 -12.628 1.00 64.32 C ATOM 251 O GLY A 15 1.245 5.587 -13.812 1.00 40.31 O ATOM 0 H GLY A 15 -0.054 7.642 -10.344 1.00 33.01 H new ATOM 0 HA2 GLY A 15 -0.280 7.502 -12.605 1.00 1.21 H new ATOM 0 HA3 GLY A 15 1.364 8.065 -12.835 1.00 1.21 H new ATOM 255 N TYR A 16 1.495 5.125 -11.601 1.00 12.20 N ATOM 256 CA TYR A 16 1.962 3.731 -11.757 1.00 53.25 C ATOM 257 C TYR A 16 1.336 2.860 -10.665 1.00 45.42 C ATOM 258 O TYR A 16 1.101 3.320 -9.546 1.00 62.15 O ATOM 259 CB TYR A 16 3.515 3.631 -11.698 1.00 74.42 C ATOM 260 CG TYR A 16 4.242 4.146 -12.945 1.00 63.41 C ATOM 261 CD1 TYR A 16 4.229 3.406 -14.128 1.00 1.25 C ATOM 262 CD2 TYR A 16 4.944 5.356 -12.943 1.00 40.43 C ATOM 263 CE1 TYR A 16 4.886 3.842 -15.253 1.00 21.41 C ATOM 264 CE2 TYR A 16 5.602 5.797 -14.078 1.00 43.41 C ATOM 265 CZ TYR A 16 5.569 5.033 -15.226 1.00 32.32 C ATOM 266 OH TYR A 16 6.227 5.463 -16.358 1.00 3.35 O ATOM 0 H TYR A 16 1.426 5.419 -10.627 1.00 12.20 H new ATOM 0 HA TYR A 16 1.650 3.376 -12.739 1.00 53.25 H new ATOM 0 HB2 TYR A 16 3.868 4.191 -10.832 1.00 74.42 H new ATOM 0 HB3 TYR A 16 3.792 2.589 -11.538 1.00 74.42 H new ATOM 0 HD1 TYR A 16 3.691 2.470 -14.160 1.00 1.25 H new ATOM 0 HD2 TYR A 16 4.973 5.954 -12.044 1.00 40.43 H new ATOM 0 HE1 TYR A 16 4.865 3.250 -16.156 1.00 21.41 H new ATOM 0 HE2 TYR A 16 6.138 6.734 -14.065 1.00 43.41 H new ATOM 0 HH TYR A 16 6.661 6.323 -16.177 1.00 3.35 H new ATOM 276 N SER A 17 1.086 1.596 -11.013 1.00 54.42 N ATOM 277 CA SER A 17 0.444 0.628 -10.132 1.00 53.30 C ATOM 278 C SER A 17 1.545 -0.144 -9.370 1.00 42.23 C ATOM 279 O SER A 17 1.999 -1.199 -9.830 1.00 62.22 O ATOM 280 CB SER A 17 -0.447 -0.312 -10.989 1.00 24.22 C ATOM 281 OG SER A 17 -1.292 -1.110 -10.195 1.00 12.30 O ATOM 0 H SER A 17 1.328 1.215 -11.927 1.00 54.42 H new ATOM 0 HA SER A 17 -0.197 1.116 -9.398 1.00 53.30 H new ATOM 0 HB2 SER A 17 -1.050 0.285 -11.673 1.00 24.22 H new ATOM 0 HB3 SER A 17 0.187 -0.954 -11.601 1.00 24.22 H new ATOM 0 HG SER A 17 -0.758 -1.588 -9.527 1.00 12.30 H new ATOM 287 N TYR A 18 1.997 0.421 -8.233 1.00 22.23 N ATOM 288 CA TYR A 18 3.119 -0.126 -7.427 1.00 14.21 C ATOM 289 C TYR A 18 2.672 -1.264 -6.506 1.00 45.23 C ATOM 290 O TYR A 18 1.502 -1.360 -6.141 1.00 62.53 O ATOM 291 CB TYR A 18 3.737 0.985 -6.551 1.00 73.52 C ATOM 292 CG TYR A 18 4.336 2.152 -7.326 1.00 23.15 C ATOM 293 CD1 TYR A 18 5.648 2.104 -7.802 1.00 52.25 C ATOM 294 CD2 TYR A 18 3.602 3.305 -7.563 1.00 32.42 C ATOM 295 CE1 TYR A 18 6.198 3.168 -8.483 1.00 53.31 C ATOM 296 CE2 TYR A 18 4.146 4.360 -8.245 1.00 1.12 C ATOM 297 CZ TYR A 18 5.439 4.292 -8.700 1.00 41.52 C ATOM 298 OH TYR A 18 5.972 5.360 -9.380 1.00 1.24 O ATOM 0 H TYR A 18 1.596 1.273 -7.842 1.00 22.23 H new ATOM 0 HA TYR A 18 3.850 -0.515 -8.135 1.00 14.21 H new ATOM 0 HB2 TYR A 18 2.968 1.369 -5.880 1.00 73.52 H new ATOM 0 HB3 TYR A 18 4.514 0.545 -5.926 1.00 73.52 H new ATOM 0 HD1 TYR A 18 6.242 1.218 -7.633 1.00 52.25 H new ATOM 0 HD2 TYR A 18 2.586 3.371 -7.204 1.00 32.42 H new ATOM 0 HE1 TYR A 18 7.215 3.119 -8.842 1.00 53.31 H new ATOM 0 HE2 TYR A 18 3.557 5.247 -8.425 1.00 1.12 H new ATOM 0 HH TYR A 18 5.302 6.072 -9.447 1.00 1.24 H new ATOM 308 N ASP A 19 3.625 -2.113 -6.118 1.00 13.22 N ATOM 309 CA ASP A 19 3.396 -3.137 -5.092 1.00 70.54 C ATOM 310 C ASP A 19 3.455 -2.462 -3.700 1.00 53.52 C ATOM 311 O ASP A 19 3.921 -1.322 -3.584 1.00 24.21 O ATOM 312 CB ASP A 19 4.436 -4.286 -5.227 1.00 53.03 C ATOM 313 CG ASP A 19 4.039 -5.536 -4.419 1.00 55.21 C ATOM 314 OD1 ASP A 19 3.207 -6.317 -4.922 1.00 62.51 O ATOM 315 OD2 ASP A 19 4.504 -5.703 -3.265 1.00 0.43 O ATOM 0 H ASP A 19 4.570 -2.113 -6.501 1.00 13.22 H new ATOM 0 HA ASP A 19 2.412 -3.588 -5.221 1.00 70.54 H new ATOM 0 HB2 ASP A 19 4.542 -4.555 -6.278 1.00 53.03 H new ATOM 0 HB3 ASP A 19 5.410 -3.932 -4.889 1.00 53.03 H new ATOM 320 N VAL A 20 2.963 -3.151 -2.655 1.00 44.44 N ATOM 321 CA VAL A 20 2.853 -2.597 -1.282 1.00 4.13 C ATOM 322 C VAL A 20 3.241 -3.676 -0.237 1.00 54.52 C ATOM 323 O VAL A 20 2.752 -4.807 -0.285 1.00 1.04 O ATOM 324 CB VAL A 20 1.393 -2.044 -1.003 1.00 62.24 C ATOM 325 CG1 VAL A 20 1.130 -0.697 -1.729 1.00 1.45 C ATOM 326 CG2 VAL A 20 0.317 -3.087 -1.393 1.00 12.22 C ATOM 0 H VAL A 20 2.628 -4.111 -2.733 1.00 44.44 H new ATOM 0 HA VAL A 20 3.546 -1.760 -1.194 1.00 4.13 H new ATOM 0 HB VAL A 20 1.326 -1.859 0.069 1.00 62.24 H new ATOM 0 HG11 VAL A 20 0.118 -0.357 -1.509 1.00 1.45 H new ATOM 0 HG12 VAL A 20 1.847 0.048 -1.384 1.00 1.45 H new ATOM 0 HG13 VAL A 20 1.240 -0.836 -2.804 1.00 1.45 H new ATOM 0 HG21 VAL A 20 -0.674 -2.680 -1.191 1.00 12.22 H new ATOM 0 HG22 VAL A 20 0.404 -3.320 -2.454 1.00 12.22 H new ATOM 0 HG23 VAL A 20 0.462 -3.996 -0.809 1.00 12.22 H new ATOM 336 N GLN A 21 4.126 -3.307 0.703 1.00 75.25 N ATOM 337 CA GLN A 21 4.681 -4.222 1.722 1.00 52.11 C ATOM 338 C GLN A 21 4.153 -3.865 3.117 1.00 42.11 C ATOM 339 O GLN A 21 4.220 -2.711 3.520 1.00 32.11 O ATOM 340 CB GLN A 21 6.234 -4.122 1.727 1.00 60.12 C ATOM 341 CG GLN A 21 6.935 -4.961 2.826 1.00 62.23 C ATOM 342 CD GLN A 21 8.429 -4.682 3.002 1.00 14.12 C ATOM 343 OE1 GLN A 21 9.201 -5.580 3.355 1.00 2.11 O ATOM 344 NE2 GLN A 21 8.850 -3.434 2.823 1.00 51.41 N ATOM 0 H GLN A 21 4.482 -2.354 0.780 1.00 75.25 H new ATOM 0 HA GLN A 21 4.373 -5.238 1.475 1.00 52.11 H new ATOM 0 HB2 GLN A 21 6.608 -4.439 0.753 1.00 60.12 H new ATOM 0 HB3 GLN A 21 6.517 -3.077 1.852 1.00 60.12 H new ATOM 0 HG2 GLN A 21 6.433 -4.779 3.776 1.00 62.23 H new ATOM 0 HG3 GLN A 21 6.804 -6.018 2.594 1.00 62.23 H new ATOM 0 HE21 GLN A 21 8.192 -2.711 2.531 1.00 51.41 H new ATOM 0 HE22 GLN A 21 9.831 -3.199 2.977 1.00 51.41 H new ATOM 353 N PHE A 22 3.626 -4.860 3.844 1.00 54.41 N ATOM 354 CA PHE A 22 3.342 -4.720 5.277 1.00 4.22 C ATOM 355 C PHE A 22 4.646 -4.900 6.063 1.00 25.25 C ATOM 356 O PHE A 22 5.136 -6.025 6.220 1.00 65.53 O ATOM 357 CB PHE A 22 2.276 -5.740 5.750 1.00 43.41 C ATOM 358 CG PHE A 22 0.852 -5.375 5.348 1.00 53.30 C ATOM 359 CD1 PHE A 22 0.216 -4.269 5.923 1.00 3.24 C ATOM 360 CD2 PHE A 22 0.149 -6.127 4.412 1.00 5.42 C ATOM 361 CE1 PHE A 22 -1.074 -3.929 5.572 1.00 14.12 C ATOM 362 CE2 PHE A 22 -1.138 -5.784 4.068 1.00 74.40 C ATOM 363 CZ PHE A 22 -1.748 -4.686 4.643 1.00 14.45 C ATOM 0 H PHE A 22 3.387 -5.774 3.460 1.00 54.41 H new ATOM 0 HA PHE A 22 2.935 -3.725 5.458 1.00 4.22 H new ATOM 0 HB2 PHE A 22 2.519 -6.721 5.341 1.00 43.41 H new ATOM 0 HB3 PHE A 22 2.326 -5.826 6.835 1.00 43.41 H new ATOM 0 HD1 PHE A 22 0.743 -3.672 6.653 1.00 3.24 H new ATOM 0 HD2 PHE A 22 0.617 -6.985 3.953 1.00 5.42 H new ATOM 0 HE1 PHE A 22 -1.552 -3.073 6.025 1.00 14.12 H new ATOM 0 HE2 PHE A 22 -1.675 -6.377 3.343 1.00 74.40 H new ATOM 0 HZ PHE A 22 -2.757 -4.422 4.362 1.00 14.45 H new ATOM 373 N ARG A 23 5.214 -3.783 6.516 1.00 23.40 N ATOM 374 CA ARG A 23 6.460 -3.772 7.288 1.00 51.21 C ATOM 375 C ARG A 23 6.158 -3.341 8.731 1.00 73.34 C ATOM 376 O ARG A 23 5.771 -2.197 8.976 1.00 31.34 O ATOM 377 CB ARG A 23 7.497 -2.819 6.642 1.00 0.21 C ATOM 378 CG ARG A 23 8.945 -3.068 7.126 1.00 24.10 C ATOM 379 CD ARG A 23 9.495 -4.423 6.631 1.00 63.41 C ATOM 380 NE ARG A 23 10.789 -4.770 7.240 1.00 22.55 N ATOM 381 CZ ARG A 23 11.680 -5.629 6.716 1.00 60.31 C ATOM 382 NH1 ARG A 23 11.446 -6.243 5.553 1.00 11.34 N ATOM 383 NH2 ARG A 23 12.797 -5.891 7.372 1.00 63.42 N ATOM 0 H ARG A 23 4.822 -2.855 6.358 1.00 23.40 H new ATOM 0 HA ARG A 23 6.886 -4.775 7.293 1.00 51.21 H new ATOM 0 HB2 ARG A 23 7.459 -2.933 5.559 1.00 0.21 H new ATOM 0 HB3 ARG A 23 7.220 -1.788 6.864 1.00 0.21 H new ATOM 0 HG2 ARG A 23 9.589 -2.264 6.771 1.00 24.10 H new ATOM 0 HG3 ARG A 23 8.973 -3.042 8.215 1.00 24.10 H new ATOM 0 HD2 ARG A 23 8.772 -5.207 6.854 1.00 63.41 H new ATOM 0 HD3 ARG A 23 9.606 -4.391 5.547 1.00 63.41 H new ATOM 0 HE ARG A 23 11.028 -4.325 8.126 1.00 22.55 H new ATOM 0 HH11 ARG A 23 10.579 -6.063 5.047 1.00 11.34 H new ATOM 0 HH12 ARG A 23 12.134 -6.892 5.171 1.00 11.34 H new ATOM 0 HH21 ARG A 23 12.978 -5.442 8.270 1.00 63.42 H new ATOM 0 HH22 ARG A 23 13.478 -6.542 6.980 1.00 63.42 H new ATOM 397 N ARG A 24 6.324 -4.271 9.675 1.00 40.24 N ATOM 398 CA ARG A 24 6.011 -4.048 11.094 1.00 1.13 C ATOM 399 C ARG A 24 7.314 -3.901 11.897 1.00 11.24 C ATOM 400 O ARG A 24 8.225 -4.733 11.778 1.00 73.03 O ATOM 401 CB ARG A 24 5.160 -5.224 11.629 1.00 14.33 C ATOM 402 CG ARG A 24 4.751 -5.111 13.115 1.00 53.32 C ATOM 403 CD ARG A 24 3.833 -6.262 13.557 1.00 44.23 C ATOM 404 NE ARG A 24 4.445 -7.580 13.301 1.00 2.33 N ATOM 405 CZ ARG A 24 3.778 -8.740 13.166 1.00 42.10 C ATOM 406 NH1 ARG A 24 2.453 -8.790 13.259 1.00 75.31 N ATOM 407 NH2 ARG A 24 4.457 -9.849 12.911 1.00 70.44 N ATOM 0 H ARG A 24 6.681 -5.206 9.478 1.00 40.24 H new ATOM 0 HA ARG A 24 5.436 -3.128 11.203 1.00 1.13 H new ATOM 0 HB2 ARG A 24 4.257 -5.304 11.024 1.00 14.33 H new ATOM 0 HB3 ARG A 24 5.719 -6.150 11.491 1.00 14.33 H new ATOM 0 HG2 ARG A 24 5.646 -5.104 13.736 1.00 53.32 H new ATOM 0 HG3 ARG A 24 4.243 -4.161 13.278 1.00 53.32 H new ATOM 0 HD2 ARG A 24 3.613 -6.164 14.620 1.00 44.23 H new ATOM 0 HD3 ARG A 24 2.883 -6.193 13.027 1.00 44.23 H new ATOM 0 HE ARG A 24 5.461 -7.614 13.219 1.00 2.33 H new ATOM 0 HH11 ARG A 24 1.922 -7.938 13.436 1.00 75.31 H new ATOM 0 HH12 ARG A 24 1.968 -9.681 13.153 1.00 75.31 H new ATOM 0 HH21 ARG A 24 5.472 -9.816 12.820 1.00 70.44 H new ATOM 0 HH22 ARG A 24 3.964 -10.736 12.806 1.00 70.44 H new ATOM 421 N THR A 25 7.402 -2.826 12.685 1.00 20.41 N ATOM 422 CA THR A 25 8.530 -2.548 13.585 1.00 20.12 C ATOM 423 C THR A 25 7.979 -2.062 14.936 1.00 75.41 C ATOM 424 O THR A 25 7.064 -1.224 14.971 1.00 14.11 O ATOM 425 CB THR A 25 9.521 -1.496 12.970 1.00 74.02 C ATOM 426 OG1 THR A 25 10.530 -1.127 13.929 1.00 40.20 O ATOM 427 CG2 THR A 25 8.800 -0.233 12.459 1.00 14.40 C ATOM 0 H THR A 25 6.678 -2.109 12.717 1.00 20.41 H new ATOM 0 HA THR A 25 9.100 -3.466 13.730 1.00 20.12 H new ATOM 0 HB THR A 25 9.992 -1.976 12.112 1.00 74.02 H new ATOM 0 HG1 THR A 25 11.139 -0.472 13.528 1.00 40.20 H new ATOM 0 HG21 THR A 25 9.531 0.461 12.044 1.00 14.40 H new ATOM 0 HG22 THR A 25 8.084 -0.511 11.686 1.00 14.40 H new ATOM 0 HG23 THR A 25 8.274 0.245 13.285 1.00 14.40 H new ATOM 435 N GLN A 26 8.504 -2.655 16.038 1.00 51.05 N ATOM 436 CA GLN A 26 8.136 -2.321 17.436 1.00 65.44 C ATOM 437 C GLN A 26 6.662 -2.662 17.753 1.00 51.41 C ATOM 438 O GLN A 26 6.105 -2.188 18.751 1.00 62.31 O ATOM 439 CB GLN A 26 8.464 -0.827 17.749 1.00 55.40 C ATOM 440 CG GLN A 26 9.964 -0.444 17.666 1.00 12.22 C ATOM 441 CD GLN A 26 10.828 -0.942 18.837 1.00 21.21 C ATOM 442 OE1 GLN A 26 10.565 -1.982 19.444 1.00 24.43 O ATOM 443 NE2 GLN A 26 11.879 -0.201 19.156 1.00 2.33 N ATOM 0 H GLN A 26 9.207 -3.391 15.978 1.00 51.05 H new ATOM 0 HA GLN A 26 8.742 -2.946 18.092 1.00 65.44 H new ATOM 0 HB2 GLN A 26 7.907 -0.197 17.055 1.00 55.40 H new ATOM 0 HB3 GLN A 26 8.102 -0.595 18.751 1.00 55.40 H new ATOM 0 HG2 GLN A 26 10.374 -0.841 16.737 1.00 12.22 H new ATOM 0 HG3 GLN A 26 10.044 0.642 17.611 1.00 12.22 H new ATOM 0 HE21 GLN A 26 12.075 0.656 18.638 1.00 2.33 H new ATOM 0 HE22 GLN A 26 12.492 -0.487 19.919 1.00 2.33 H new ATOM 452 N GLY A 27 6.053 -3.522 16.909 1.00 15.03 N ATOM 453 CA GLY A 27 4.650 -3.925 17.059 1.00 22.54 C ATOM 454 C GLY A 27 3.687 -3.050 16.264 1.00 61.12 C ATOM 455 O GLY A 27 2.487 -3.344 16.203 1.00 51.34 O ATOM 0 H GLY A 27 6.522 -3.951 16.111 1.00 15.03 H new ATOM 0 HA2 GLY A 27 4.540 -4.961 16.738 1.00 22.54 H new ATOM 0 HA3 GLY A 27 4.378 -3.888 18.114 1.00 22.54 H new ATOM 459 N LYS A 28 4.223 -1.993 15.625 1.00 52.04 N ATOM 460 CA LYS A 28 3.440 -1.028 14.829 1.00 51.13 C ATOM 461 C LYS A 28 3.602 -1.350 13.341 1.00 55.51 C ATOM 462 O LYS A 28 4.705 -1.680 12.904 1.00 21.22 O ATOM 463 CB LYS A 28 3.955 0.402 15.105 1.00 3.35 C ATOM 464 CG LYS A 28 3.865 0.827 16.585 1.00 53.44 C ATOM 465 CD LYS A 28 4.640 2.129 16.866 1.00 1.43 C ATOM 466 CE LYS A 28 4.485 2.620 18.316 1.00 14.34 C ATOM 467 NZ LYS A 28 5.349 3.799 18.603 1.00 51.20 N ATOM 0 H LYS A 28 5.221 -1.783 15.647 1.00 52.04 H new ATOM 0 HA LYS A 28 2.388 -1.095 15.105 1.00 51.13 H new ATOM 0 HB2 LYS A 28 4.993 0.472 14.780 1.00 3.35 H new ATOM 0 HB3 LYS A 28 3.383 1.106 14.500 1.00 3.35 H new ATOM 0 HG2 LYS A 28 2.819 0.963 16.859 1.00 53.44 H new ATOM 0 HG3 LYS A 28 4.258 0.029 17.215 1.00 53.44 H new ATOM 0 HD2 LYS A 28 5.697 1.969 16.653 1.00 1.43 H new ATOM 0 HD3 LYS A 28 4.292 2.906 16.186 1.00 1.43 H new ATOM 0 HE2 LYS A 28 3.443 2.881 18.501 1.00 14.34 H new ATOM 0 HE3 LYS A 28 4.737 1.811 19.001 1.00 14.34 H new ATOM 0 HZ1 LYS A 28 5.213 4.097 19.590 1.00 51.20 H new ATOM 0 HZ2 LYS A 28 6.346 3.544 18.452 1.00 51.20 H new ATOM 0 HZ3 LYS A 28 5.092 4.581 17.967 1.00 51.20 H new ATOM 481 N ILE A 29 2.519 -1.221 12.566 1.00 21.12 N ATOM 482 CA ILE A 29 2.508 -1.613 11.141 1.00 53.51 C ATOM 483 C ILE A 29 2.599 -0.363 10.233 1.00 14.43 C ATOM 484 O ILE A 29 1.965 0.674 10.491 1.00 72.14 O ATOM 485 CB ILE A 29 1.233 -2.480 10.788 1.00 71.32 C ATOM 486 CG1 ILE A 29 1.318 -3.070 9.337 1.00 41.14 C ATOM 487 CG2 ILE A 29 -0.073 -1.679 10.988 1.00 63.13 C ATOM 488 CD1 ILE A 29 2.490 -4.015 9.110 1.00 20.52 C ATOM 0 H ILE A 29 1.631 -0.846 12.899 1.00 21.12 H new ATOM 0 HA ILE A 29 3.384 -2.235 10.958 1.00 53.51 H new ATOM 0 HB ILE A 29 1.215 -3.319 11.484 1.00 71.32 H new ATOM 0 HG12 ILE A 29 0.391 -3.601 9.119 1.00 41.14 H new ATOM 0 HG13 ILE A 29 1.388 -2.246 8.627 1.00 41.14 H new ATOM 0 HG21 ILE A 29 -0.927 -2.307 10.736 1.00 63.13 H new ATOM 0 HG22 ILE A 29 -0.150 -1.362 12.028 1.00 63.13 H new ATOM 0 HG23 ILE A 29 -0.064 -0.802 10.341 1.00 63.13 H new ATOM 0 HD11 ILE A 29 2.472 -4.376 8.082 1.00 20.52 H new ATOM 0 HD12 ILE A 29 3.425 -3.485 9.293 1.00 20.52 H new ATOM 0 HD13 ILE A 29 2.413 -4.861 9.793 1.00 20.52 H new ATOM 500 N PHE A 30 3.435 -0.472 9.192 1.00 53.34 N ATOM 501 CA PHE A 30 3.652 0.573 8.184 1.00 34.45 C ATOM 502 C PHE A 30 3.561 -0.069 6.805 1.00 74.35 C ATOM 503 O PHE A 30 4.281 -1.036 6.532 1.00 22.23 O ATOM 504 CB PHE A 30 5.048 1.236 8.365 1.00 41.31 C ATOM 505 CG PHE A 30 5.232 1.943 9.708 1.00 75.11 C ATOM 506 CD1 PHE A 30 5.673 1.246 10.839 1.00 1.24 C ATOM 507 CD2 PHE A 30 4.934 3.299 9.850 1.00 34.13 C ATOM 508 CE1 PHE A 30 5.813 1.884 12.057 1.00 53.31 C ATOM 509 CE2 PHE A 30 5.072 3.932 11.073 1.00 34.34 C ATOM 510 CZ PHE A 30 5.511 3.225 12.173 1.00 43.52 C ATOM 0 H PHE A 30 3.992 -1.310 9.024 1.00 53.34 H new ATOM 0 HA PHE A 30 2.895 1.349 8.296 1.00 34.45 H new ATOM 0 HB2 PHE A 30 5.818 0.472 8.260 1.00 41.31 H new ATOM 0 HB3 PHE A 30 5.203 1.957 7.562 1.00 41.31 H new ATOM 0 HD1 PHE A 30 5.907 0.195 10.759 1.00 1.24 H new ATOM 0 HD2 PHE A 30 4.591 3.862 8.994 1.00 34.13 H new ATOM 0 HE1 PHE A 30 6.159 1.332 12.919 1.00 53.31 H new ATOM 0 HE2 PHE A 30 4.835 4.982 11.166 1.00 34.34 H new ATOM 0 HZ PHE A 30 5.618 3.722 13.126 1.00 43.52 H new ATOM 520 N LEU A 31 2.691 0.455 5.931 1.00 42.30 N ATOM 521 CA LEU A 31 2.538 -0.078 4.574 1.00 51.44 C ATOM 522 C LEU A 31 3.539 0.645 3.655 1.00 71.52 C ATOM 523 O LEU A 31 3.285 1.753 3.187 1.00 32.40 O ATOM 524 CB LEU A 31 1.073 0.088 4.069 1.00 71.13 C ATOM 525 CG LEU A 31 0.738 -0.598 2.697 1.00 51.51 C ATOM 526 CD1 LEU A 31 0.882 -2.134 2.790 1.00 52.54 C ATOM 527 CD2 LEU A 31 -0.665 -0.200 2.186 1.00 33.03 C ATOM 0 H LEU A 31 2.084 1.247 6.141 1.00 42.30 H new ATOM 0 HA LEU A 31 2.749 -1.147 4.569 1.00 51.44 H new ATOM 0 HB2 LEU A 31 0.400 -0.313 4.827 1.00 71.13 H new ATOM 0 HB3 LEU A 31 0.858 1.153 3.983 1.00 71.13 H new ATOM 0 HG LEU A 31 1.464 -0.237 1.969 1.00 51.51 H new ATOM 0 HD11 LEU A 31 0.644 -2.581 1.825 1.00 52.54 H new ATOM 0 HD12 LEU A 31 1.906 -2.387 3.064 1.00 52.54 H new ATOM 0 HD13 LEU A 31 0.198 -2.518 3.547 1.00 52.54 H new ATOM 0 HD21 LEU A 31 -0.860 -0.695 1.235 1.00 33.03 H new ATOM 0 HD22 LEU A 31 -1.417 -0.504 2.914 1.00 33.03 H new ATOM 0 HD23 LEU A 31 -0.709 0.880 2.049 1.00 33.03 H new ATOM 539 N GLN A 32 4.702 0.020 3.437 1.00 71.44 N ATOM 540 CA GLN A 32 5.786 0.586 2.625 1.00 2.01 C ATOM 541 C GLN A 32 5.574 0.237 1.153 1.00 2.05 C ATOM 542 O GLN A 32 5.814 -0.902 0.733 1.00 14.20 O ATOM 543 CB GLN A 32 7.162 0.080 3.121 1.00 31.34 C ATOM 544 CG GLN A 32 7.493 0.497 4.571 1.00 22.32 C ATOM 545 CD GLN A 32 8.930 0.186 4.993 1.00 41.42 C ATOM 546 OE1 GLN A 32 9.538 -0.779 4.532 1.00 41.42 O ATOM 547 NE2 GLN A 32 9.487 1.003 5.871 1.00 63.23 N ATOM 0 H GLN A 32 4.919 -0.899 3.822 1.00 71.44 H new ATOM 0 HA GLN A 32 5.772 1.671 2.729 1.00 2.01 H new ATOM 0 HB2 GLN A 32 7.186 -1.007 3.051 1.00 31.34 H new ATOM 0 HB3 GLN A 32 7.939 0.459 2.457 1.00 31.34 H new ATOM 0 HG2 GLN A 32 7.316 1.567 4.680 1.00 22.32 H new ATOM 0 HG3 GLN A 32 6.808 -0.010 5.250 1.00 22.32 H new ATOM 0 HE21 GLN A 32 8.959 1.796 6.237 1.00 63.23 H new ATOM 0 HE22 GLN A 32 10.445 0.841 6.183 1.00 63.23 H new ATOM 556 N VAL A 33 5.078 1.224 0.393 1.00 30.43 N ATOM 557 CA VAL A 33 4.832 1.090 -1.044 1.00 32.11 C ATOM 558 C VAL A 33 6.163 0.873 -1.792 1.00 74.43 C ATOM 559 O VAL A 33 7.059 1.730 -1.749 1.00 31.42 O ATOM 560 CB VAL A 33 4.089 2.344 -1.631 1.00 63.01 C ATOM 561 CG1 VAL A 33 3.740 2.136 -3.127 1.00 51.11 C ATOM 562 CG2 VAL A 33 2.823 2.679 -0.811 1.00 63.14 C ATOM 0 H VAL A 33 4.836 2.143 0.764 1.00 30.43 H new ATOM 0 HA VAL A 33 4.186 0.224 -1.186 1.00 32.11 H new ATOM 0 HB VAL A 33 4.768 3.194 -1.559 1.00 63.01 H new ATOM 0 HG11 VAL A 33 3.227 3.019 -3.507 1.00 51.11 H new ATOM 0 HG12 VAL A 33 4.656 1.976 -3.696 1.00 51.11 H new ATOM 0 HG13 VAL A 33 3.092 1.266 -3.232 1.00 51.11 H new ATOM 0 HG21 VAL A 33 2.331 3.551 -1.242 1.00 63.14 H new ATOM 0 HG22 VAL A 33 2.140 1.830 -0.832 1.00 63.14 H new ATOM 0 HG23 VAL A 33 3.104 2.893 0.220 1.00 63.14 H new ATOM 572 N MET A 34 6.265 -0.293 -2.440 1.00 34.10 N ATOM 573 CA MET A 34 7.433 -0.709 -3.224 1.00 54.31 C ATOM 574 C MET A 34 7.556 0.120 -4.514 1.00 20.31 C ATOM 575 O MET A 34 6.554 0.570 -5.069 1.00 5.00 O ATOM 576 CB MET A 34 7.307 -2.220 -3.563 1.00 44.24 C ATOM 577 CG MET A 34 7.182 -3.174 -2.346 1.00 70.01 C ATOM 578 SD MET A 34 8.737 -3.426 -1.428 1.00 65.21 S ATOM 579 CE MET A 34 8.812 -2.006 -0.330 1.00 34.44 C ATOM 0 H MET A 34 5.520 -0.990 -2.434 1.00 34.10 H new ATOM 0 HA MET A 34 8.334 -0.539 -2.634 1.00 54.31 H new ATOM 0 HB2 MET A 34 6.434 -2.359 -4.201 1.00 44.24 H new ATOM 0 HB3 MET A 34 8.179 -2.517 -4.146 1.00 44.24 H new ATOM 0 HG2 MET A 34 6.431 -2.777 -1.663 1.00 70.01 H new ATOM 0 HG3 MET A 34 6.818 -4.141 -2.693 1.00 70.01 H new ATOM 0 HE1 MET A 34 9.448 -2.239 0.524 1.00 34.44 H new ATOM 0 HE2 MET A 34 9.225 -1.152 -0.867 1.00 34.44 H new ATOM 0 HE3 MET A 34 7.809 -1.764 0.021 1.00 34.44 H new ATOM 589 N TRP A 35 8.797 0.297 -4.978 1.00 60.15 N ATOM 590 CA TRP A 35 9.111 1.040 -6.219 1.00 63.21 C ATOM 591 C TRP A 35 8.817 0.203 -7.473 1.00 40.04 C ATOM 592 O TRP A 35 8.707 0.741 -8.579 1.00 20.24 O ATOM 593 CB TRP A 35 10.592 1.510 -6.202 1.00 31.11 C ATOM 594 CG TRP A 35 11.605 0.434 -5.846 1.00 32.01 C ATOM 595 CD1 TRP A 35 12.285 -0.394 -6.702 1.00 53.03 C ATOM 596 CD2 TRP A 35 12.048 0.084 -4.519 1.00 24.04 C ATOM 597 NE1 TRP A 35 13.116 -1.224 -5.988 1.00 32.12 N ATOM 598 CE2 TRP A 35 12.987 -0.950 -4.649 1.00 72.04 C ATOM 599 CE3 TRP A 35 11.733 0.553 -3.233 1.00 74.15 C ATOM 600 CZ2 TRP A 35 13.618 -1.525 -3.546 1.00 12.00 C ATOM 601 CZ3 TRP A 35 12.357 -0.020 -2.141 1.00 63.02 C ATOM 602 CH2 TRP A 35 13.294 -1.049 -2.303 1.00 64.41 C ATOM 0 H TRP A 35 9.623 -0.071 -4.505 1.00 60.15 H new ATOM 0 HA TRP A 35 8.464 1.916 -6.258 1.00 63.21 H new ATOM 0 HB2 TRP A 35 10.841 1.911 -7.184 1.00 31.11 H new ATOM 0 HB3 TRP A 35 10.689 2.329 -5.489 1.00 31.11 H new ATOM 0 HD1 TRP A 35 12.183 -0.394 -7.777 1.00 53.03 H new ATOM 0 HE1 TRP A 35 13.731 -1.932 -6.390 1.00 32.12 H new ATOM 0 HE3 TRP A 35 11.015 1.349 -3.100 1.00 74.15 H new ATOM 0 HZ2 TRP A 35 14.339 -2.320 -3.668 1.00 12.00 H new ATOM 0 HZ3 TRP A 35 12.119 0.331 -1.148 1.00 63.02 H new ATOM 0 HH2 TRP A 35 13.770 -1.475 -1.432 1.00 64.41 H new ATOM 613 N LYS A 36 8.694 -1.115 -7.285 1.00 54.43 N ATOM 614 CA LYS A 36 8.407 -2.049 -8.369 1.00 30.21 C ATOM 615 C LYS A 36 6.904 -2.036 -8.687 1.00 11.25 C ATOM 616 O LYS A 36 6.076 -2.337 -7.819 1.00 24.14 O ATOM 617 CB LYS A 36 8.895 -3.461 -7.971 1.00 22.40 C ATOM 618 CG LYS A 36 10.415 -3.514 -7.709 1.00 32.12 C ATOM 619 CD LYS A 36 10.902 -4.888 -7.205 1.00 42.43 C ATOM 620 CE LYS A 36 12.411 -4.895 -6.917 1.00 54.45 C ATOM 621 NZ LYS A 36 12.859 -6.181 -6.332 1.00 75.51 N ATOM 0 H LYS A 36 8.792 -1.561 -6.373 1.00 54.43 H new ATOM 0 HA LYS A 36 8.938 -1.747 -9.272 1.00 30.21 H new ATOM 0 HB2 LYS A 36 8.365 -3.785 -7.076 1.00 22.40 H new ATOM 0 HB3 LYS A 36 8.642 -4.165 -8.764 1.00 22.40 H new ATOM 0 HG2 LYS A 36 10.944 -3.264 -8.629 1.00 32.12 H new ATOM 0 HG3 LYS A 36 10.676 -2.752 -6.974 1.00 32.12 H new ATOM 0 HD2 LYS A 36 10.359 -5.155 -6.298 1.00 42.43 H new ATOM 0 HD3 LYS A 36 10.672 -5.650 -7.950 1.00 42.43 H new ATOM 0 HE2 LYS A 36 12.957 -4.707 -7.841 1.00 54.45 H new ATOM 0 HE3 LYS A 36 12.653 -4.082 -6.233 1.00 54.45 H new ATOM 0 HZ1 LYS A 36 13.883 -6.143 -6.153 1.00 75.51 H new ATOM 0 HZ2 LYS A 36 12.357 -6.349 -5.437 1.00 75.51 H new ATOM 0 HZ3 LYS A 36 12.652 -6.955 -6.995 1.00 75.51 H new ATOM 635 N TYR A 37 6.580 -1.664 -9.926 1.00 34.02 N ATOM 636 CA TYR A 37 5.198 -1.566 -10.427 1.00 54.43 C ATOM 637 C TYR A 37 4.949 -2.630 -11.502 1.00 61.52 C ATOM 638 O TYR A 37 5.899 -3.112 -12.128 1.00 32.21 O ATOM 639 CB TYR A 37 4.912 -0.127 -10.949 1.00 51.01 C ATOM 640 CG TYR A 37 5.956 0.473 -11.913 1.00 73.23 C ATOM 641 CD1 TYR A 37 5.888 0.246 -13.285 1.00 1.45 C ATOM 642 CD2 TYR A 37 6.991 1.292 -11.448 1.00 5.44 C ATOM 643 CE1 TYR A 37 6.801 0.799 -14.155 1.00 20.33 C ATOM 644 CE2 TYR A 37 7.906 1.855 -12.320 1.00 74.34 C ATOM 645 CZ TYR A 37 7.801 1.604 -13.672 1.00 41.44 C ATOM 646 OH TYR A 37 8.703 2.169 -14.547 1.00 50.33 O ATOM 0 H TYR A 37 7.279 -1.417 -10.626 1.00 34.02 H new ATOM 0 HA TYR A 37 4.503 -1.758 -9.609 1.00 54.43 H new ATOM 0 HB2 TYR A 37 3.945 -0.132 -11.452 1.00 51.01 H new ATOM 0 HB3 TYR A 37 4.820 0.536 -10.089 1.00 51.01 H new ATOM 0 HD1 TYR A 37 5.099 -0.379 -13.677 1.00 1.45 H new ATOM 0 HD2 TYR A 37 7.077 1.488 -10.389 1.00 5.44 H new ATOM 0 HE1 TYR A 37 6.730 0.600 -15.214 1.00 20.33 H new ATOM 0 HE2 TYR A 37 8.697 2.487 -11.944 1.00 74.34 H new ATOM 0 HH TYR A 37 9.347 2.712 -14.047 1.00 50.33 H new ATOM 656 N LEU A 38 3.664 -2.974 -11.715 1.00 13.53 N ATOM 657 CA LEU A 38 3.240 -4.072 -12.616 1.00 61.14 C ATOM 658 C LEU A 38 3.705 -3.850 -14.069 1.00 23.32 C ATOM 659 O LEU A 38 4.003 -4.811 -14.788 1.00 30.44 O ATOM 660 CB LEU A 38 1.694 -4.239 -12.575 1.00 25.12 C ATOM 661 CG LEU A 38 1.100 -5.389 -13.462 1.00 34.21 C ATOM 662 CD1 LEU A 38 1.647 -6.772 -13.037 1.00 65.05 C ATOM 663 CD2 LEU A 38 -0.445 -5.356 -13.459 1.00 62.22 C ATOM 0 H LEU A 38 2.883 -2.497 -11.265 1.00 13.53 H new ATOM 0 HA LEU A 38 3.716 -4.983 -12.255 1.00 61.14 H new ATOM 0 HB2 LEU A 38 1.395 -4.414 -11.541 1.00 25.12 H new ATOM 0 HB3 LEU A 38 1.239 -3.298 -12.884 1.00 25.12 H new ATOM 0 HG LEU A 38 1.426 -5.219 -14.488 1.00 34.21 H new ATOM 0 HD11 LEU A 38 1.215 -7.545 -13.672 1.00 65.05 H new ATOM 0 HD12 LEU A 38 2.732 -6.782 -13.141 1.00 65.05 H new ATOM 0 HD13 LEU A 38 1.380 -6.965 -11.998 1.00 65.05 H new ATOM 0 HD21 LEU A 38 -0.827 -6.164 -14.082 1.00 62.22 H new ATOM 0 HD22 LEU A 38 -0.810 -5.480 -12.439 1.00 62.22 H new ATOM 0 HD23 LEU A 38 -0.789 -4.400 -13.853 1.00 62.22 H new ATOM 675 N GLU A 39 3.792 -2.575 -14.468 1.00 5.51 N ATOM 676 CA GLU A 39 4.092 -2.171 -15.854 1.00 45.33 C ATOM 677 C GLU A 39 5.538 -2.550 -16.249 1.00 23.13 C ATOM 678 O GLU A 39 5.867 -2.580 -17.441 1.00 64.31 O ATOM 679 CB GLU A 39 3.856 -0.642 -16.058 1.00 54.11 C ATOM 680 CG GLU A 39 2.434 -0.108 -15.718 1.00 52.31 C ATOM 681 CD GLU A 39 2.086 -0.160 -14.216 1.00 63.32 C ATOM 682 OE1 GLU A 39 2.628 0.647 -13.447 1.00 51.01 O ATOM 683 OE2 GLU A 39 1.303 -1.035 -13.793 1.00 43.35 O ATOM 0 H GLU A 39 3.656 -1.786 -13.836 1.00 5.51 H new ATOM 0 HA GLU A 39 3.408 -2.714 -16.506 1.00 45.33 H new ATOM 0 HB2 GLU A 39 4.579 -0.101 -15.448 1.00 54.11 H new ATOM 0 HB3 GLU A 39 4.072 -0.399 -17.098 1.00 54.11 H new ATOM 0 HG2 GLU A 39 2.352 0.922 -16.064 1.00 52.31 H new ATOM 0 HG3 GLU A 39 1.697 -0.690 -16.271 1.00 52.31 H new ATOM 690 N GLN A 40 6.397 -2.826 -15.237 1.00 11.12 N ATOM 691 CA GLN A 40 7.757 -3.366 -15.457 1.00 51.21 C ATOM 692 C GLN A 40 7.667 -4.753 -16.115 1.00 41.34 C ATOM 693 O GLN A 40 6.893 -5.609 -15.667 1.00 41.15 O ATOM 694 CB GLN A 40 8.532 -3.482 -14.110 1.00 24.41 C ATOM 695 CG GLN A 40 8.798 -2.139 -13.402 1.00 75.30 C ATOM 696 CD GLN A 40 9.549 -2.265 -12.073 1.00 12.24 C ATOM 697 OE1 GLN A 40 9.425 -3.260 -11.362 1.00 74.43 O ATOM 698 NE2 GLN A 40 10.335 -1.251 -11.732 1.00 21.31 N ATOM 0 H GLN A 40 6.167 -2.681 -14.254 1.00 11.12 H new ATOM 0 HA GLN A 40 8.295 -2.681 -16.112 1.00 51.21 H new ATOM 0 HB2 GLN A 40 7.968 -4.127 -13.436 1.00 24.41 H new ATOM 0 HB3 GLN A 40 9.487 -3.974 -14.297 1.00 24.41 H new ATOM 0 HG2 GLN A 40 9.371 -1.497 -14.070 1.00 75.30 H new ATOM 0 HG3 GLN A 40 7.845 -1.642 -13.222 1.00 75.30 H new ATOM 0 HE21 GLN A 40 10.416 -0.440 -12.345 1.00 21.31 H new ATOM 0 HE22 GLN A 40 10.858 -1.283 -10.857 1.00 21.31 H new ATOM 707 N ALA A 41 8.458 -4.962 -17.180 1.00 2.44 N ATOM 708 CA ALA A 41 8.561 -6.264 -17.875 1.00 53.23 C ATOM 709 C ALA A 41 9.385 -7.260 -17.040 1.00 32.54 C ATOM 710 O ALA A 41 9.294 -8.478 -17.240 1.00 55.34 O ATOM 711 CB ALA A 41 9.174 -6.081 -19.279 1.00 13.40 C ATOM 0 H ALA A 41 9.046 -4.235 -17.587 1.00 2.44 H new ATOM 0 HA ALA A 41 7.558 -6.673 -17.994 1.00 53.23 H new ATOM 0 HB1 ALA A 41 9.242 -7.049 -19.775 1.00 13.40 H new ATOM 0 HB2 ALA A 41 8.543 -5.415 -19.868 1.00 13.40 H new ATOM 0 HB3 ALA A 41 10.171 -5.649 -19.187 1.00 13.40 H new ATOM 717 N SER A 42 10.194 -6.721 -16.103 1.00 42.24 N ATOM 718 CA SER A 42 11.029 -7.517 -15.185 1.00 45.23 C ATOM 719 C SER A 42 10.372 -7.616 -13.785 1.00 74.51 C ATOM 720 O SER A 42 11.040 -7.940 -12.792 1.00 42.05 O ATOM 721 CB SER A 42 12.439 -6.875 -15.101 1.00 11.32 C ATOM 722 OG SER A 42 13.345 -7.681 -14.360 1.00 65.24 O ATOM 0 H SER A 42 10.285 -5.715 -15.963 1.00 42.24 H new ATOM 0 HA SER A 42 11.122 -8.533 -15.568 1.00 45.23 H new ATOM 0 HB2 SER A 42 12.829 -6.722 -16.107 1.00 11.32 H new ATOM 0 HB3 SER A 42 12.363 -5.892 -14.636 1.00 11.32 H new ATOM 0 HG SER A 42 12.884 -8.061 -13.583 1.00 65.24 H new ATOM 728 N PHE A 43 9.056 -7.340 -13.713 1.00 43.12 N ATOM 729 CA PHE A 43 8.261 -7.525 -12.489 1.00 64.42 C ATOM 730 C PHE A 43 8.072 -9.048 -12.248 1.00 22.00 C ATOM 731 O PHE A 43 7.519 -9.728 -13.119 1.00 13.53 O ATOM 732 CB PHE A 43 6.891 -6.798 -12.640 1.00 51.03 C ATOM 733 CG PHE A 43 6.134 -6.613 -11.330 1.00 41.55 C ATOM 734 CD1 PHE A 43 6.592 -5.699 -10.378 1.00 24.51 C ATOM 735 CD2 PHE A 43 4.972 -7.331 -11.046 1.00 4.12 C ATOM 736 CE1 PHE A 43 5.909 -5.510 -9.194 1.00 21.02 C ATOM 737 CE2 PHE A 43 4.298 -7.136 -9.862 1.00 0.04 C ATOM 738 CZ PHE A 43 4.765 -6.227 -8.936 1.00 30.45 C ATOM 0 H PHE A 43 8.517 -6.983 -14.502 1.00 43.12 H new ATOM 0 HA PHE A 43 8.773 -7.094 -11.629 1.00 64.42 H new ATOM 0 HB2 PHE A 43 7.059 -5.820 -13.091 1.00 51.03 H new ATOM 0 HB3 PHE A 43 6.266 -7.364 -13.331 1.00 51.03 H new ATOM 0 HD1 PHE A 43 7.492 -5.133 -10.571 1.00 24.51 H new ATOM 0 HD2 PHE A 43 4.598 -8.047 -11.763 1.00 4.12 H new ATOM 0 HE1 PHE A 43 6.274 -4.798 -8.469 1.00 21.02 H new ATOM 0 HE2 PHE A 43 3.399 -7.698 -9.657 1.00 0.04 H new ATOM 0 HZ PHE A 43 4.232 -6.079 -8.008 1.00 30.45 H new ATOM 748 N PRO A 44 8.525 -9.607 -11.069 1.00 23.25 N ATOM 749 CA PRO A 44 8.607 -11.084 -10.851 1.00 25.40 C ATOM 750 C PRO A 44 7.235 -11.796 -10.828 1.00 61.20 C ATOM 751 O PRO A 44 7.166 -13.014 -11.030 1.00 61.30 O ATOM 752 CB PRO A 44 9.334 -11.207 -9.481 1.00 23.14 C ATOM 753 CG PRO A 44 9.025 -9.920 -8.771 1.00 51.52 C ATOM 754 CD PRO A 44 8.969 -8.856 -9.857 1.00 41.50 C ATOM 0 HA PRO A 44 9.128 -11.575 -11.673 1.00 25.40 H new ATOM 0 HB2 PRO A 44 8.974 -12.067 -8.917 1.00 23.14 H new ATOM 0 HB3 PRO A 44 10.408 -11.339 -9.613 1.00 23.14 H new ATOM 0 HG2 PRO A 44 8.077 -9.985 -8.237 1.00 51.52 H new ATOM 0 HG3 PRO A 44 9.792 -9.686 -8.032 1.00 51.52 H new ATOM 0 HD2 PRO A 44 8.270 -8.060 -9.601 1.00 41.50 H new ATOM 0 HD3 PRO A 44 9.942 -8.389 -10.010 1.00 41.50 H new ATOM 762 N MET A 45 6.154 -11.030 -10.599 1.00 4.20 N ATOM 763 CA MET A 45 4.792 -11.578 -10.443 1.00 2.04 C ATOM 764 C MET A 45 3.946 -11.278 -11.693 1.00 32.14 C ATOM 765 O MET A 45 4.179 -10.279 -12.385 1.00 72.13 O ATOM 766 CB MET A 45 4.127 -10.984 -9.169 1.00 73.50 C ATOM 767 CG MET A 45 4.957 -11.185 -7.885 1.00 1.32 C ATOM 768 SD MET A 45 4.106 -10.689 -6.374 1.00 23.24 S ATOM 769 CE MET A 45 3.760 -8.965 -6.692 1.00 44.22 C ATOM 0 H MET A 45 6.198 -10.014 -10.517 1.00 4.20 H new ATOM 0 HA MET A 45 4.855 -12.660 -10.330 1.00 2.04 H new ATOM 0 HB2 MET A 45 3.961 -9.917 -9.320 1.00 73.50 H new ATOM 0 HB3 MET A 45 3.148 -11.443 -9.034 1.00 73.50 H new ATOM 0 HG2 MET A 45 5.234 -12.236 -7.805 1.00 1.32 H new ATOM 0 HG3 MET A 45 5.883 -10.617 -7.971 1.00 1.32 H new ATOM 0 HE1 MET A 45 3.284 -8.522 -5.817 1.00 44.22 H new ATOM 0 HE2 MET A 45 4.692 -8.440 -6.903 1.00 44.22 H new ATOM 0 HE3 MET A 45 3.093 -8.880 -7.550 1.00 44.22 H new ATOM 779 N ASN A 46 2.969 -12.159 -11.963 1.00 53.30 N ATOM 780 CA ASN A 46 2.004 -11.999 -13.071 1.00 51.13 C ATOM 781 C ASN A 46 0.967 -10.910 -12.737 1.00 61.10 C ATOM 782 O ASN A 46 0.853 -10.490 -11.583 1.00 75.04 O ATOM 783 CB ASN A 46 1.294 -13.353 -13.366 1.00 34.11 C ATOM 784 CG ASN A 46 2.209 -14.387 -14.035 1.00 55.12 C ATOM 785 OD1 ASN A 46 2.244 -14.507 -15.261 1.00 43.13 O ATOM 786 ND2 ASN A 46 2.972 -15.126 -13.249 1.00 61.43 N ATOM 0 H ASN A 46 2.823 -13.008 -11.417 1.00 53.30 H new ATOM 0 HA ASN A 46 2.550 -11.688 -13.962 1.00 51.13 H new ATOM 0 HB2 ASN A 46 0.913 -13.766 -12.432 1.00 34.11 H new ATOM 0 HB3 ASN A 46 0.433 -13.171 -14.009 1.00 34.11 H new ATOM 0 HD21 ASN A 46 3.607 -15.813 -13.655 1.00 61.43 H new ATOM 0 HD22 ASN A 46 2.926 -15.009 -12.237 1.00 61.43 H new ATOM 793 N GLU A 47 0.203 -10.490 -13.767 1.00 3.43 N ATOM 794 CA GLU A 47 -0.821 -9.427 -13.657 1.00 4.14 C ATOM 795 C GLU A 47 -1.928 -9.816 -12.665 1.00 23.40 C ATOM 796 O GLU A 47 -2.350 -8.993 -11.844 1.00 22.14 O ATOM 797 CB GLU A 47 -1.409 -9.125 -15.059 1.00 14.13 C ATOM 798 CG GLU A 47 -0.361 -8.633 -16.082 1.00 4.03 C ATOM 799 CD GLU A 47 -0.922 -8.519 -17.510 1.00 61.15 C ATOM 800 OE1 GLU A 47 -0.975 -9.557 -18.211 1.00 54.53 O ATOM 801 OE2 GLU A 47 -1.317 -7.408 -17.930 1.00 53.32 O ATOM 0 H GLU A 47 0.279 -10.881 -14.706 1.00 3.43 H new ATOM 0 HA GLU A 47 -0.347 -8.525 -13.270 1.00 4.14 H new ATOM 0 HB2 GLU A 47 -1.885 -10.027 -15.445 1.00 14.13 H new ATOM 0 HB3 GLU A 47 -2.189 -8.370 -14.961 1.00 14.13 H new ATOM 0 HG2 GLU A 47 0.017 -7.660 -15.767 1.00 4.03 H new ATOM 0 HG3 GLU A 47 0.486 -9.319 -16.084 1.00 4.03 H new ATOM 808 N THR A 48 -2.359 -11.089 -12.741 1.00 23.20 N ATOM 809 CA THR A 48 -3.357 -11.655 -11.833 1.00 74.32 C ATOM 810 C THR A 48 -2.805 -11.705 -10.390 1.00 1.03 C ATOM 811 O THR A 48 -3.406 -11.126 -9.489 1.00 21.01 O ATOM 812 CB THR A 48 -3.792 -13.086 -12.298 1.00 63.20 C ATOM 813 OG1 THR A 48 -4.256 -13.031 -13.657 1.00 42.54 O ATOM 814 CG2 THR A 48 -4.902 -13.680 -11.402 1.00 52.54 C ATOM 0 H THR A 48 -2.020 -11.751 -13.439 1.00 23.20 H new ATOM 0 HA THR A 48 -4.235 -11.010 -11.852 1.00 74.32 H new ATOM 0 HB THR A 48 -2.919 -13.735 -12.219 1.00 63.20 H new ATOM 0 HG1 THR A 48 -4.526 -13.927 -13.947 1.00 42.54 H new ATOM 0 HG21 THR A 48 -5.170 -14.673 -11.764 1.00 52.54 H new ATOM 0 HG22 THR A 48 -4.541 -13.753 -10.376 1.00 52.54 H new ATOM 0 HG23 THR A 48 -5.779 -13.034 -11.433 1.00 52.54 H new ATOM 822 N GLU A 49 -1.623 -12.353 -10.223 1.00 62.35 N ATOM 823 CA GLU A 49 -0.988 -12.604 -8.903 1.00 64.10 C ATOM 824 C GLU A 49 -0.751 -11.296 -8.129 1.00 21.11 C ATOM 825 O GLU A 49 -0.989 -11.220 -6.921 1.00 54.41 O ATOM 826 CB GLU A 49 0.357 -13.340 -9.097 1.00 4.33 C ATOM 827 CG GLU A 49 0.238 -14.712 -9.788 1.00 71.24 C ATOM 828 CD GLU A 49 1.593 -15.412 -9.996 1.00 43.43 C ATOM 829 OE1 GLU A 49 2.594 -14.710 -10.258 1.00 51.42 O ATOM 830 OE2 GLU A 49 1.660 -16.655 -9.934 1.00 71.10 O ATOM 0 H GLU A 49 -1.081 -12.718 -11.006 1.00 62.35 H new ATOM 0 HA GLU A 49 -1.670 -13.224 -8.320 1.00 64.10 H new ATOM 0 HB2 GLU A 49 1.022 -12.707 -9.685 1.00 4.33 H new ATOM 0 HB3 GLU A 49 0.826 -13.477 -8.123 1.00 4.33 H new ATOM 0 HG2 GLU A 49 -0.407 -15.356 -9.191 1.00 71.24 H new ATOM 0 HG3 GLU A 49 -0.248 -14.582 -10.755 1.00 71.24 H new ATOM 837 N TYR A 50 -0.281 -10.278 -8.863 1.00 21.42 N ATOM 838 CA TYR A 50 -0.069 -8.924 -8.343 1.00 0.23 C ATOM 839 C TYR A 50 -1.399 -8.315 -7.845 1.00 65.30 C ATOM 840 O TYR A 50 -1.445 -7.708 -6.772 1.00 55.24 O ATOM 841 CB TYR A 50 0.585 -8.034 -9.437 1.00 32.42 C ATOM 842 CG TYR A 50 0.516 -6.540 -9.125 1.00 31.52 C ATOM 843 CD1 TYR A 50 1.283 -5.983 -8.097 1.00 54.55 C ATOM 844 CD2 TYR A 50 -0.364 -5.704 -9.816 1.00 60.53 C ATOM 845 CE1 TYR A 50 1.160 -4.660 -7.769 1.00 32.34 C ATOM 846 CE2 TYR A 50 -0.473 -4.380 -9.497 1.00 15.24 C ATOM 847 CZ TYR A 50 0.286 -3.867 -8.478 1.00 64.30 C ATOM 848 OH TYR A 50 0.133 -2.560 -8.128 1.00 25.31 O ATOM 0 H TYR A 50 -0.035 -10.375 -9.848 1.00 21.42 H new ATOM 0 HA TYR A 50 0.608 -8.974 -7.490 1.00 0.23 H new ATOM 0 HB2 TYR A 50 1.629 -8.325 -9.556 1.00 32.42 H new ATOM 0 HB3 TYR A 50 0.091 -8.222 -10.391 1.00 32.42 H new ATOM 0 HD1 TYR A 50 1.981 -6.604 -7.555 1.00 54.55 H new ATOM 0 HD2 TYR A 50 -0.967 -6.110 -10.614 1.00 60.53 H new ATOM 0 HE1 TYR A 50 1.743 -4.242 -6.962 1.00 32.34 H new ATOM 0 HE2 TYR A 50 -1.152 -3.743 -10.044 1.00 15.24 H new ATOM 0 HH TYR A 50 0.594 -2.392 -7.280 1.00 25.31 H new ATOM 858 N GLN A 51 -2.470 -8.478 -8.638 1.00 41.33 N ATOM 859 CA GLN A 51 -3.798 -7.930 -8.307 1.00 3.44 C ATOM 860 C GLN A 51 -4.408 -8.661 -7.086 1.00 20.21 C ATOM 861 O GLN A 51 -5.160 -8.066 -6.306 1.00 62.33 O ATOM 862 CB GLN A 51 -4.736 -8.007 -9.542 1.00 14.22 C ATOM 863 CG GLN A 51 -6.084 -7.261 -9.382 1.00 41.31 C ATOM 864 CD GLN A 51 -5.932 -5.753 -9.128 1.00 21.13 C ATOM 865 OE1 GLN A 51 -5.002 -5.107 -9.610 1.00 42.32 O ATOM 866 NE2 GLN A 51 -6.857 -5.174 -8.382 1.00 61.42 N ATOM 0 H GLN A 51 -2.442 -8.989 -9.520 1.00 41.33 H new ATOM 0 HA GLN A 51 -3.684 -6.881 -8.035 1.00 3.44 H new ATOM 0 HB2 GLN A 51 -4.211 -7.598 -10.405 1.00 14.22 H new ATOM 0 HB3 GLN A 51 -4.941 -9.055 -9.760 1.00 14.22 H new ATOM 0 HG2 GLN A 51 -6.680 -7.410 -10.282 1.00 41.31 H new ATOM 0 HG3 GLN A 51 -6.639 -7.705 -8.555 1.00 41.31 H new ATOM 0 HE21 GLN A 51 -7.619 -5.729 -7.993 1.00 61.42 H new ATOM 0 HE22 GLN A 51 -6.809 -4.172 -8.196 1.00 61.42 H new ATOM 875 N GLU A 52 -4.041 -9.950 -6.918 1.00 33.12 N ATOM 876 CA GLU A 52 -4.454 -10.762 -5.759 1.00 34.22 C ATOM 877 C GLU A 52 -3.666 -10.348 -4.505 1.00 25.23 C ATOM 878 O GLU A 52 -4.154 -10.495 -3.380 1.00 64.12 O ATOM 879 CB GLU A 52 -4.246 -12.273 -6.045 1.00 34.35 C ATOM 880 CG GLU A 52 -4.932 -12.802 -7.317 1.00 74.13 C ATOM 881 CD GLU A 52 -6.452 -12.585 -7.349 1.00 54.21 C ATOM 882 OE1 GLU A 52 -6.911 -11.514 -7.794 1.00 71.35 O ATOM 883 OE2 GLU A 52 -7.203 -13.492 -6.935 1.00 72.02 O ATOM 0 H GLU A 52 -3.452 -10.453 -7.581 1.00 33.12 H new ATOM 0 HA GLU A 52 -5.515 -10.586 -5.581 1.00 34.22 H new ATOM 0 HB2 GLU A 52 -3.176 -12.468 -6.121 1.00 34.35 H new ATOM 0 HB3 GLU A 52 -4.613 -12.842 -5.191 1.00 34.35 H new ATOM 0 HG2 GLU A 52 -4.488 -12.315 -8.185 1.00 74.13 H new ATOM 0 HG3 GLU A 52 -4.726 -13.868 -7.411 1.00 74.13 H new ATOM 890 N HIS A 53 -2.423 -9.857 -4.718 1.00 14.13 N ATOM 891 CA HIS A 53 -1.591 -9.285 -3.649 1.00 62.05 C ATOM 892 C HIS A 53 -2.275 -8.026 -3.108 1.00 52.42 C ATOM 893 O HIS A 53 -2.362 -7.833 -1.902 1.00 1.10 O ATOM 894 CB HIS A 53 -0.162 -8.956 -4.172 1.00 71.44 C ATOM 895 CG HIS A 53 0.754 -8.304 -3.163 1.00 51.53 C ATOM 896 ND1 HIS A 53 1.588 -9.024 -2.346 1.00 34.11 N ATOM 897 CD2 HIS A 53 0.967 -7.001 -2.856 1.00 14.43 C ATOM 898 CE1 HIS A 53 2.272 -8.197 -1.586 1.00 53.30 C ATOM 899 NE2 HIS A 53 1.922 -6.960 -1.874 1.00 73.45 N ATOM 0 H HIS A 53 -1.976 -9.849 -5.635 1.00 14.13 H new ATOM 0 HA HIS A 53 -1.484 -10.014 -2.846 1.00 62.05 H new ATOM 0 HB2 HIS A 53 0.303 -9.879 -4.519 1.00 71.44 H new ATOM 0 HB3 HIS A 53 -0.251 -8.299 -5.037 1.00 71.44 H new ATOM 0 HD2 HIS A 53 0.474 -6.151 -3.304 1.00 14.43 H new ATOM 0 HE1 HIS A 53 3.003 -8.485 -0.845 1.00 53.30 H new ATOM 0 HE2 HIS A 53 2.297 -6.116 -1.440 1.00 73.45 H new ATOM 908 N LEU A 54 -2.764 -7.186 -4.041 1.00 54.12 N ATOM 909 CA LEU A 54 -3.483 -5.946 -3.715 1.00 14.21 C ATOM 910 C LEU A 54 -4.800 -6.248 -2.987 1.00 20.51 C ATOM 911 O LEU A 54 -5.190 -5.510 -2.093 1.00 61.12 O ATOM 912 CB LEU A 54 -3.785 -5.133 -4.992 1.00 44.04 C ATOM 913 CG LEU A 54 -2.562 -4.723 -5.854 1.00 53.15 C ATOM 914 CD1 LEU A 54 -3.033 -3.942 -7.085 1.00 30.21 C ATOM 915 CD2 LEU A 54 -1.518 -3.926 -5.033 1.00 53.04 C ATOM 0 H LEU A 54 -2.670 -7.352 -5.043 1.00 54.12 H new ATOM 0 HA LEU A 54 -2.839 -5.360 -3.059 1.00 14.21 H new ATOM 0 HB2 LEU A 54 -4.463 -5.716 -5.616 1.00 44.04 H new ATOM 0 HB3 LEU A 54 -4.318 -4.227 -4.702 1.00 44.04 H new ATOM 0 HG LEU A 54 -2.059 -5.630 -6.191 1.00 53.15 H new ATOM 0 HD11 LEU A 54 -2.170 -3.657 -7.687 1.00 30.21 H new ATOM 0 HD12 LEU A 54 -3.699 -4.567 -7.679 1.00 30.21 H new ATOM 0 HD13 LEU A 54 -3.565 -3.046 -6.766 1.00 30.21 H new ATOM 0 HD21 LEU A 54 -0.678 -3.659 -5.674 1.00 53.04 H new ATOM 0 HD22 LEU A 54 -1.979 -3.019 -4.641 1.00 53.04 H new ATOM 0 HD23 LEU A 54 -1.162 -4.539 -4.205 1.00 53.04 H new ATOM 927 N ASP A 55 -5.473 -7.338 -3.417 1.00 73.21 N ATOM 928 CA ASP A 55 -6.741 -7.813 -2.825 1.00 10.40 C ATOM 929 C ASP A 55 -6.517 -8.249 -1.366 1.00 63.41 C ATOM 930 O ASP A 55 -7.294 -7.887 -0.480 1.00 3.14 O ATOM 931 CB ASP A 55 -7.327 -8.989 -3.666 1.00 70.50 C ATOM 932 CG ASP A 55 -8.617 -9.588 -3.063 1.00 1.54 C ATOM 933 OD1 ASP A 55 -9.713 -9.089 -3.369 1.00 53.11 O ATOM 934 OD2 ASP A 55 -8.539 -10.563 -2.286 1.00 42.22 O ATOM 0 H ASP A 55 -5.148 -7.917 -4.191 1.00 73.21 H new ATOM 0 HA ASP A 55 -7.460 -6.994 -2.834 1.00 10.40 H new ATOM 0 HB2 ASP A 55 -7.536 -8.635 -4.676 1.00 70.50 H new ATOM 0 HB3 ASP A 55 -6.576 -9.774 -3.752 1.00 70.50 H new ATOM 939 N SER A 56 -5.432 -9.013 -1.144 1.00 5.24 N ATOM 940 CA SER A 56 -5.040 -9.499 0.190 1.00 13.22 C ATOM 941 C SER A 56 -4.762 -8.309 1.129 1.00 72.31 C ATOM 942 O SER A 56 -5.316 -8.237 2.230 1.00 24.51 O ATOM 943 CB SER A 56 -3.793 -10.408 0.076 1.00 10.01 C ATOM 944 OG SER A 56 -3.445 -10.971 1.327 1.00 31.44 O ATOM 0 H SER A 56 -4.801 -9.311 -1.888 1.00 5.24 H new ATOM 0 HA SER A 56 -5.858 -10.084 0.610 1.00 13.22 H new ATOM 0 HB2 SER A 56 -3.987 -11.205 -0.642 1.00 10.01 H new ATOM 0 HB3 SER A 56 -2.954 -9.829 -0.310 1.00 10.01 H new ATOM 0 HG SER A 56 -2.655 -11.541 1.221 1.00 31.44 H new ATOM 950 N VAL A 57 -3.933 -7.363 0.634 1.00 70.42 N ATOM 951 CA VAL A 57 -3.584 -6.122 1.345 1.00 25.51 C ATOM 952 C VAL A 57 -4.849 -5.300 1.654 1.00 73.44 C ATOM 953 O VAL A 57 -5.010 -4.823 2.769 1.00 25.34 O ATOM 954 CB VAL A 57 -2.545 -5.262 0.518 1.00 32.51 C ATOM 955 CG1 VAL A 57 -2.325 -3.852 1.138 1.00 74.22 C ATOM 956 CG2 VAL A 57 -1.195 -6.020 0.386 1.00 42.13 C ATOM 0 H VAL A 57 -3.486 -7.444 -0.279 1.00 70.42 H new ATOM 0 HA VAL A 57 -3.113 -6.397 2.289 1.00 25.51 H new ATOM 0 HB VAL A 57 -2.965 -5.113 -0.477 1.00 32.51 H new ATOM 0 HG11 VAL A 57 -1.604 -3.298 0.536 1.00 74.22 H new ATOM 0 HG12 VAL A 57 -3.271 -3.312 1.158 1.00 74.22 H new ATOM 0 HG13 VAL A 57 -1.945 -3.957 2.154 1.00 74.22 H new ATOM 0 HG21 VAL A 57 -0.492 -5.414 -0.186 1.00 42.13 H new ATOM 0 HG22 VAL A 57 -0.786 -6.211 1.378 1.00 42.13 H new ATOM 0 HG23 VAL A 57 -1.358 -6.968 -0.127 1.00 42.13 H new ATOM 966 N ALA A 58 -5.752 -5.214 0.665 1.00 31.44 N ATOM 967 CA ALA A 58 -7.011 -4.451 0.761 1.00 50.43 C ATOM 968 C ALA A 58 -7.939 -5.019 1.845 1.00 44.11 C ATOM 969 O ALA A 58 -8.659 -4.269 2.511 1.00 11.23 O ATOM 970 CB ALA A 58 -7.726 -4.458 -0.590 1.00 74.03 C ATOM 0 H ALA A 58 -5.629 -5.677 -0.235 1.00 31.44 H new ATOM 0 HA ALA A 58 -6.760 -3.428 1.040 1.00 50.43 H new ATOM 0 HB1 ALA A 58 -8.655 -3.893 -0.513 1.00 74.03 H new ATOM 0 HB2 ALA A 58 -7.085 -4.001 -1.343 1.00 74.03 H new ATOM 0 HB3 ALA A 58 -7.949 -5.485 -0.878 1.00 74.03 H new ATOM 976 N ASN A 59 -7.897 -6.356 1.997 1.00 12.13 N ATOM 977 CA ASN A 59 -8.685 -7.089 2.997 1.00 42.22 C ATOM 978 C ASN A 59 -8.089 -6.889 4.405 1.00 52.33 C ATOM 979 O ASN A 59 -8.816 -6.943 5.396 1.00 61.32 O ATOM 980 CB ASN A 59 -8.752 -8.594 2.637 1.00 44.44 C ATOM 981 CG ASN A 59 -9.704 -9.395 3.533 1.00 22.40 C ATOM 982 OD1 ASN A 59 -10.751 -8.902 3.969 1.00 3.33 O ATOM 983 ND2 ASN A 59 -9.343 -10.622 3.833 1.00 22.21 N ATOM 0 H ASN A 59 -7.309 -6.960 1.423 1.00 12.13 H new ATOM 0 HA ASN A 59 -9.701 -6.693 2.997 1.00 42.22 H new ATOM 0 HB2 ASN A 59 -9.069 -8.698 1.599 1.00 44.44 H new ATOM 0 HB3 ASN A 59 -7.752 -9.022 2.709 1.00 44.44 H new ATOM 0 HD21 ASN A 59 -9.932 -11.193 4.439 1.00 22.21 H new ATOM 0 HD22 ASN A 59 -8.474 -11.004 3.459 1.00 22.21 H new ATOM 990 N TYR A 60 -6.761 -6.660 4.483 1.00 62.34 N ATOM 991 CA TYR A 60 -6.083 -6.278 5.741 1.00 0.14 C ATOM 992 C TYR A 60 -6.380 -4.815 6.089 1.00 71.42 C ATOM 993 O TYR A 60 -6.519 -4.476 7.253 1.00 30.43 O ATOM 994 CB TYR A 60 -4.552 -6.498 5.659 1.00 34.42 C ATOM 995 CG TYR A 60 -4.119 -7.962 5.749 1.00 44.33 C ATOM 996 CD1 TYR A 60 -4.307 -8.675 6.932 1.00 70.12 C ATOM 997 CD2 TYR A 60 -3.521 -8.626 4.672 1.00 32.42 C ATOM 998 CE1 TYR A 60 -3.918 -9.991 7.039 1.00 24.34 C ATOM 999 CE2 TYR A 60 -3.132 -9.946 4.774 1.00 3.52 C ATOM 1000 CZ TYR A 60 -3.332 -10.626 5.958 1.00 51.02 C ATOM 1001 OH TYR A 60 -2.939 -11.945 6.066 1.00 60.42 O ATOM 0 H TYR A 60 -6.133 -6.734 3.683 1.00 62.34 H new ATOM 0 HA TYR A 60 -6.474 -6.923 6.528 1.00 0.14 H new ATOM 0 HB2 TYR A 60 -4.187 -6.081 4.721 1.00 34.42 H new ATOM 0 HB3 TYR A 60 -4.073 -5.940 6.464 1.00 34.42 H new ATOM 0 HD1 TYR A 60 -4.766 -8.187 7.779 1.00 70.12 H new ATOM 0 HD2 TYR A 60 -3.361 -8.096 3.745 1.00 32.42 H new ATOM 0 HE1 TYR A 60 -4.070 -10.527 7.964 1.00 24.34 H new ATOM 0 HE2 TYR A 60 -2.674 -10.444 3.932 1.00 3.52 H new ATOM 0 HH TYR A 60 -2.547 -12.240 5.218 1.00 60.42 H new ATOM 1011 N LEU A 61 -6.475 -3.954 5.063 1.00 73.51 N ATOM 1012 CA LEU A 61 -6.829 -2.531 5.243 1.00 12.32 C ATOM 1013 C LEU A 61 -8.301 -2.413 5.709 1.00 65.32 C ATOM 1014 O LEU A 61 -8.679 -1.476 6.415 1.00 1.14 O ATOM 1015 CB LEU A 61 -6.581 -1.743 3.925 1.00 32.24 C ATOM 1016 CG LEU A 61 -5.106 -1.737 3.395 1.00 70.11 C ATOM 1017 CD1 LEU A 61 -4.953 -0.868 2.128 1.00 4.23 C ATOM 1018 CD2 LEU A 61 -4.101 -1.321 4.496 1.00 34.55 C ATOM 0 H LEU A 61 -6.311 -4.219 4.092 1.00 73.51 H new ATOM 0 HA LEU A 61 -6.194 -2.093 6.013 1.00 12.32 H new ATOM 0 HB2 LEU A 61 -7.223 -2.160 3.149 1.00 32.24 H new ATOM 0 HB3 LEU A 61 -6.895 -0.711 4.078 1.00 32.24 H new ATOM 0 HG LEU A 61 -4.867 -2.762 3.111 1.00 70.11 H new ATOM 0 HD11 LEU A 61 -3.916 -0.891 1.794 1.00 4.23 H new ATOM 0 HD12 LEU A 61 -5.597 -1.258 1.340 1.00 4.23 H new ATOM 0 HD13 LEU A 61 -5.238 0.159 2.355 1.00 4.23 H new ATOM 0 HD21 LEU A 61 -3.090 -1.330 4.088 1.00 34.55 H new ATOM 0 HD22 LEU A 61 -4.342 -0.318 4.848 1.00 34.55 H new ATOM 0 HD23 LEU A 61 -4.162 -2.022 5.328 1.00 34.55 H new ATOM 1030 N HIS A 62 -9.098 -3.411 5.297 1.00 14.33 N ATOM 1031 CA HIS A 62 -10.474 -3.637 5.756 1.00 22.31 C ATOM 1032 C HIS A 62 -10.486 -4.147 7.218 1.00 72.11 C ATOM 1033 O HIS A 62 -11.171 -3.581 8.068 1.00 71.12 O ATOM 1034 CB HIS A 62 -11.159 -4.653 4.795 1.00 41.14 C ATOM 1035 CG HIS A 62 -12.427 -5.297 5.311 1.00 43.02 C ATOM 1036 ND1 HIS A 62 -12.469 -6.604 5.759 1.00 1.54 N ATOM 1037 CD2 HIS A 62 -13.686 -4.817 5.454 1.00 34.35 C ATOM 1038 CE1 HIS A 62 -13.693 -6.893 6.148 1.00 14.31 C ATOM 1039 NE2 HIS A 62 -14.451 -5.831 5.972 1.00 74.02 N ATOM 0 H HIS A 62 -8.791 -4.104 4.614 1.00 14.33 H new ATOM 0 HA HIS A 62 -11.029 -2.699 5.740 1.00 22.31 H new ATOM 0 HB2 HIS A 62 -11.388 -4.142 3.860 1.00 41.14 H new ATOM 0 HB3 HIS A 62 -10.443 -5.441 4.560 1.00 41.14 H new ATOM 0 HD2 HIS A 62 -14.024 -3.822 5.206 1.00 34.35 H new ATOM 0 HE1 HIS A 62 -14.021 -7.842 6.545 1.00 14.31 H new ATOM 0 HE2 HIS A 62 -15.446 -5.772 6.186 1.00 74.02 H new ATOM 1048 N ALA A 63 -9.687 -5.201 7.480 1.00 10.33 N ATOM 1049 CA ALA A 63 -9.699 -5.942 8.763 1.00 23.11 C ATOM 1050 C ALA A 63 -9.205 -5.073 9.932 1.00 23.33 C ATOM 1051 O ALA A 63 -9.793 -5.067 11.018 1.00 24.23 O ATOM 1052 CB ALA A 63 -8.819 -7.200 8.636 1.00 63.14 C ATOM 0 H ALA A 63 -9.012 -5.565 6.807 1.00 10.33 H new ATOM 0 HA ALA A 63 -10.729 -6.226 8.978 1.00 23.11 H new ATOM 0 HB1 ALA A 63 -8.827 -7.746 9.579 1.00 63.14 H new ATOM 0 HB2 ALA A 63 -9.209 -7.839 7.844 1.00 63.14 H new ATOM 0 HB3 ALA A 63 -7.797 -6.906 8.395 1.00 63.14 H new ATOM 1058 N LEU A 64 -8.116 -4.345 9.670 1.00 54.34 N ATOM 1059 CA LEU A 64 -7.414 -3.522 10.663 1.00 72.31 C ATOM 1060 C LEU A 64 -8.053 -2.121 10.777 1.00 12.14 C ATOM 1061 O LEU A 64 -7.963 -1.473 11.828 1.00 54.54 O ATOM 1062 CB LEU A 64 -5.914 -3.418 10.256 1.00 70.13 C ATOM 1063 CG LEU A 64 -5.148 -4.782 10.117 1.00 30.12 C ATOM 1064 CD1 LEU A 64 -3.729 -4.592 9.525 1.00 12.11 C ATOM 1065 CD2 LEU A 64 -5.102 -5.541 11.464 1.00 3.25 C ATOM 0 H LEU A 64 -7.688 -4.309 8.745 1.00 54.34 H new ATOM 0 HA LEU A 64 -7.495 -3.992 11.643 1.00 72.31 H new ATOM 0 HB2 LEU A 64 -5.851 -2.889 9.305 1.00 70.13 H new ATOM 0 HB3 LEU A 64 -5.398 -2.807 10.996 1.00 70.13 H new ATOM 0 HG LEU A 64 -5.708 -5.394 9.411 1.00 30.12 H new ATOM 0 HD11 LEU A 64 -3.235 -5.560 9.446 1.00 12.11 H new ATOM 0 HD12 LEU A 64 -3.805 -4.142 8.535 1.00 12.11 H new ATOM 0 HD13 LEU A 64 -3.147 -3.940 10.176 1.00 12.11 H new ATOM 0 HD21 LEU A 64 -4.565 -6.481 11.334 1.00 3.25 H new ATOM 0 HD22 LEU A 64 -4.590 -4.931 12.208 1.00 3.25 H new ATOM 0 HD23 LEU A 64 -6.118 -5.747 11.800 1.00 3.25 H new ATOM 1077 N GLY A 65 -8.719 -1.680 9.693 1.00 52.52 N ATOM 1078 CA GLY A 65 -9.250 -0.321 9.595 1.00 35.12 C ATOM 1079 C GLY A 65 -8.178 0.672 9.151 1.00 30.42 C ATOM 1080 O GLY A 65 -8.206 1.852 9.532 1.00 62.01 O ATOM 0 H GLY A 65 -8.899 -2.256 8.871 1.00 52.52 H new ATOM 0 HA2 GLY A 65 -10.078 -0.304 8.887 1.00 35.12 H new ATOM 0 HA3 GLY A 65 -9.651 -0.016 10.562 1.00 35.12 H new ATOM 1084 N GLY A 66 -7.229 0.184 8.318 1.00 22.42 N ATOM 1085 CA GLY A 66 -6.139 1.004 7.779 1.00 13.21 C ATOM 1086 C GLY A 66 -6.384 1.481 6.354 1.00 11.13 C ATOM 1087 O GLY A 66 -5.473 2.026 5.732 1.00 71.25 O ATOM 0 H GLY A 66 -7.205 -0.787 8.007 1.00 22.42 H new ATOM 0 HA2 GLY A 66 -5.994 1.871 8.424 1.00 13.21 H new ATOM 0 HA3 GLY A 66 -5.214 0.428 7.807 1.00 13.21 H new ATOM 1091 N ALA A 67 -7.619 1.295 5.846 1.00 5.34 N ATOM 1092 CA ALA A 67 -7.984 1.613 4.450 1.00 44.41 C ATOM 1093 C ALA A 67 -7.870 3.116 4.146 1.00 62.34 C ATOM 1094 O ALA A 67 -7.081 3.527 3.288 1.00 14.01 O ATOM 1095 CB ALA A 67 -9.402 1.099 4.165 1.00 42.30 C ATOM 0 H ALA A 67 -8.393 0.919 6.393 1.00 5.34 H new ATOM 0 HA ALA A 67 -7.276 1.111 3.790 1.00 44.41 H new ATOM 0 HB1 ALA A 67 -9.674 1.332 3.136 1.00 42.30 H new ATOM 0 HB2 ALA A 67 -9.434 0.020 4.313 1.00 42.30 H new ATOM 0 HB3 ALA A 67 -10.106 1.579 4.844 1.00 42.30 H new ATOM 1101 N VAL A 68 -8.657 3.916 4.887 1.00 23.24 N ATOM 1102 CA VAL A 68 -8.698 5.383 4.759 1.00 40.32 C ATOM 1103 C VAL A 68 -7.334 5.993 5.161 1.00 4.45 C ATOM 1104 O VAL A 68 -6.929 7.010 4.608 1.00 75.00 O ATOM 1105 CB VAL A 68 -9.862 5.993 5.642 1.00 4.14 C ATOM 1106 CG1 VAL A 68 -9.969 7.531 5.487 1.00 40.23 C ATOM 1107 CG2 VAL A 68 -11.213 5.314 5.305 1.00 53.44 C ATOM 0 H VAL A 68 -9.291 3.557 5.601 1.00 23.24 H new ATOM 0 HA VAL A 68 -8.899 5.632 3.717 1.00 40.32 H new ATOM 0 HB VAL A 68 -9.617 5.792 6.685 1.00 4.14 H new ATOM 0 HG11 VAL A 68 -10.781 7.904 6.111 1.00 40.23 H new ATOM 0 HG12 VAL A 68 -9.032 7.994 5.796 1.00 40.23 H new ATOM 0 HG13 VAL A 68 -10.170 7.779 4.445 1.00 40.23 H new ATOM 0 HG21 VAL A 68 -12.001 5.746 5.922 1.00 53.44 H new ATOM 0 HG22 VAL A 68 -11.448 5.473 4.252 1.00 53.44 H new ATOM 0 HG23 VAL A 68 -11.142 4.245 5.504 1.00 53.44 H new ATOM 1117 N GLN A 69 -6.628 5.318 6.100 1.00 64.41 N ATOM 1118 CA GLN A 69 -5.285 5.735 6.580 1.00 22.33 C ATOM 1119 C GLN A 69 -4.271 5.803 5.416 1.00 3.11 C ATOM 1120 O GLN A 69 -3.503 6.766 5.302 1.00 41.21 O ATOM 1121 CB GLN A 69 -4.769 4.753 7.669 1.00 22.50 C ATOM 1122 CG GLN A 69 -5.689 4.578 8.905 1.00 13.33 C ATOM 1123 CD GLN A 69 -5.764 5.786 9.860 1.00 21.54 C ATOM 1124 OE1 GLN A 69 -5.669 6.948 9.457 1.00 11.44 O ATOM 1125 NE2 GLN A 69 -5.916 5.508 11.145 1.00 10.14 N ATOM 0 H GLN A 69 -6.973 4.468 6.547 1.00 64.41 H new ATOM 0 HA GLN A 69 -5.382 6.731 7.011 1.00 22.33 H new ATOM 0 HB2 GLN A 69 -4.618 3.776 7.210 1.00 22.50 H new ATOM 0 HB3 GLN A 69 -3.793 5.098 8.011 1.00 22.50 H new ATOM 0 HG2 GLN A 69 -6.696 4.351 8.556 1.00 13.33 H new ATOM 0 HG3 GLN A 69 -5.345 3.712 9.471 1.00 13.33 H new ATOM 0 HE21 GLN A 69 -5.992 4.538 11.451 1.00 10.14 H new ATOM 0 HE22 GLN A 69 -5.957 6.264 11.829 1.00 10.14 H new ATOM 1134 N VAL A 70 -4.303 4.759 4.557 1.00 20.32 N ATOM 1135 CA VAL A 70 -3.462 4.660 3.347 1.00 70.40 C ATOM 1136 C VAL A 70 -3.806 5.785 2.359 1.00 4.44 C ATOM 1137 O VAL A 70 -2.917 6.506 1.898 1.00 34.13 O ATOM 1138 CB VAL A 70 -3.637 3.255 2.642 1.00 72.13 C ATOM 1139 CG1 VAL A 70 -2.900 3.184 1.282 1.00 62.34 C ATOM 1140 CG2 VAL A 70 -3.154 2.124 3.566 1.00 74.35 C ATOM 0 H VAL A 70 -4.919 3.956 4.687 1.00 20.32 H new ATOM 0 HA VAL A 70 -2.422 4.762 3.657 1.00 70.40 H new ATOM 0 HB VAL A 70 -4.701 3.128 2.443 1.00 72.13 H new ATOM 0 HG11 VAL A 70 -3.050 2.200 0.838 1.00 62.34 H new ATOM 0 HG12 VAL A 70 -3.296 3.948 0.613 1.00 62.34 H new ATOM 0 HG13 VAL A 70 -1.834 3.353 1.436 1.00 62.34 H new ATOM 0 HG21 VAL A 70 -3.282 1.165 3.064 1.00 74.35 H new ATOM 0 HG22 VAL A 70 -2.100 2.272 3.802 1.00 74.35 H new ATOM 0 HG23 VAL A 70 -3.737 2.133 4.487 1.00 74.35 H new ATOM 1150 N LYS A 71 -5.114 5.929 2.084 1.00 51.13 N ATOM 1151 CA LYS A 71 -5.637 6.872 1.081 1.00 53.31 C ATOM 1152 C LYS A 71 -5.285 8.319 1.428 1.00 42.04 C ATOM 1153 O LYS A 71 -4.787 9.065 0.579 1.00 24.52 O ATOM 1154 CB LYS A 71 -7.165 6.697 0.930 1.00 61.43 C ATOM 1155 CG LYS A 71 -7.596 5.274 0.525 1.00 63.34 C ATOM 1156 CD LYS A 71 -9.099 5.178 0.187 1.00 52.45 C ATOM 1157 CE LYS A 71 -9.461 5.942 -1.099 1.00 11.21 C ATOM 1158 NZ LYS A 71 -10.918 5.906 -1.390 1.00 5.30 N ATOM 0 H LYS A 71 -5.842 5.391 2.554 1.00 51.13 H new ATOM 0 HA LYS A 71 -5.162 6.645 0.127 1.00 53.31 H new ATOM 0 HB2 LYS A 71 -7.645 6.956 1.874 1.00 61.43 H new ATOM 0 HB3 LYS A 71 -7.529 7.402 0.183 1.00 61.43 H new ATOM 0 HG2 LYS A 71 -7.013 4.955 -0.339 1.00 63.34 H new ATOM 0 HG3 LYS A 71 -7.366 4.585 1.337 1.00 63.34 H new ATOM 0 HD2 LYS A 71 -9.377 4.130 0.074 1.00 52.45 H new ATOM 0 HD3 LYS A 71 -9.682 5.575 1.018 1.00 52.45 H new ATOM 0 HE2 LYS A 71 -9.138 6.979 -1.005 1.00 11.21 H new ATOM 0 HE3 LYS A 71 -8.915 5.513 -1.939 1.00 11.21 H new ATOM 0 HZ1 LYS A 71 -11.110 6.434 -2.265 1.00 5.30 H new ATOM 0 HZ2 LYS A 71 -11.224 4.919 -1.507 1.00 5.30 H new ATOM 0 HZ3 LYS A 71 -11.440 6.340 -0.602 1.00 5.30 H new ATOM 1172 N THR A 72 -5.503 8.668 2.708 1.00 53.41 N ATOM 1173 CA THR A 72 -5.294 10.020 3.224 1.00 43.42 C ATOM 1174 C THR A 72 -3.798 10.378 3.184 1.00 4.33 C ATOM 1175 O THR A 72 -3.437 11.480 2.765 1.00 61.20 O ATOM 1176 CB THR A 72 -5.864 10.159 4.676 1.00 23.34 C ATOM 1177 OG1 THR A 72 -7.247 9.747 4.690 1.00 11.15 O ATOM 1178 CG2 THR A 72 -5.770 11.600 5.209 1.00 34.04 C ATOM 0 H THR A 72 -5.832 8.010 3.414 1.00 53.41 H new ATOM 0 HA THR A 72 -5.834 10.721 2.587 1.00 43.42 H new ATOM 0 HB THR A 72 -5.260 9.523 5.323 1.00 23.34 H new ATOM 0 HG1 THR A 72 -7.297 8.769 4.662 1.00 11.15 H new ATOM 0 HG21 THR A 72 -6.178 11.642 6.219 1.00 34.04 H new ATOM 0 HG22 THR A 72 -4.726 11.914 5.226 1.00 34.04 H new ATOM 0 HG23 THR A 72 -6.339 12.266 4.560 1.00 34.04 H new ATOM 1186 N PHE A 73 -2.937 9.415 3.577 1.00 3.44 N ATOM 1187 CA PHE A 73 -1.480 9.620 3.613 1.00 10.52 C ATOM 1188 C PHE A 73 -0.922 9.852 2.196 1.00 3.04 C ATOM 1189 O PHE A 73 -0.185 10.812 1.979 1.00 24.53 O ATOM 1190 CB PHE A 73 -0.751 8.420 4.273 1.00 4.30 C ATOM 1191 CG PHE A 73 0.768 8.614 4.358 1.00 61.33 C ATOM 1192 CD1 PHE A 73 1.327 9.472 5.308 1.00 41.24 C ATOM 1193 CD2 PHE A 73 1.634 7.963 3.476 1.00 2.30 C ATOM 1194 CE1 PHE A 73 2.698 9.661 5.373 1.00 35.50 C ATOM 1195 CE2 PHE A 73 2.998 8.155 3.544 1.00 22.14 C ATOM 1196 CZ PHE A 73 3.529 8.997 4.490 1.00 32.34 C ATOM 0 H PHE A 73 -3.232 8.485 3.874 1.00 3.44 H new ATOM 0 HA PHE A 73 -1.296 10.508 4.218 1.00 10.52 H new ATOM 0 HB2 PHE A 73 -1.149 8.268 5.276 1.00 4.30 H new ATOM 0 HB3 PHE A 73 -0.965 7.515 3.704 1.00 4.30 H new ATOM 0 HD1 PHE A 73 0.683 9.994 6.000 1.00 41.24 H new ATOM 0 HD2 PHE A 73 1.228 7.298 2.728 1.00 2.30 H new ATOM 0 HE1 PHE A 73 3.117 10.327 6.113 1.00 35.50 H new ATOM 0 HE2 PHE A 73 3.650 7.642 2.852 1.00 22.14 H new ATOM 0 HZ PHE A 73 4.598 9.141 4.544 1.00 32.34 H new ATOM 1206 N ILE A 74 -1.290 8.955 1.253 1.00 5.34 N ATOM 1207 CA ILE A 74 -0.803 8.987 -0.142 1.00 12.12 C ATOM 1208 C ILE A 74 -1.247 10.282 -0.859 1.00 53.42 C ATOM 1209 O ILE A 74 -0.459 10.877 -1.600 1.00 2.43 O ATOM 1210 CB ILE A 74 -1.232 7.685 -0.939 1.00 45.21 C ATOM 1211 CG1 ILE A 74 -0.489 6.439 -0.346 1.00 72.51 C ATOM 1212 CG2 ILE A 74 -0.979 7.808 -2.467 1.00 42.44 C ATOM 1213 CD1 ILE A 74 -0.727 5.130 -1.077 1.00 44.03 C ATOM 0 H ILE A 74 -1.935 8.187 1.440 1.00 5.34 H new ATOM 0 HA ILE A 74 0.287 8.993 -0.114 1.00 12.12 H new ATOM 0 HB ILE A 74 -2.308 7.560 -0.817 1.00 45.21 H new ATOM 0 HG12 ILE A 74 0.582 6.644 -0.342 1.00 72.51 H new ATOM 0 HG13 ILE A 74 -0.794 6.316 0.693 1.00 72.51 H new ATOM 0 HG21 ILE A 74 -1.291 6.889 -2.963 1.00 42.44 H new ATOM 0 HG22 ILE A 74 -1.551 8.646 -2.864 1.00 42.44 H new ATOM 0 HG23 ILE A 74 0.083 7.975 -2.648 1.00 42.44 H new ATOM 0 HD11 ILE A 74 -0.168 4.333 -0.587 1.00 44.03 H new ATOM 0 HD12 ILE A 74 -1.790 4.892 -1.059 1.00 44.03 H new ATOM 0 HD13 ILE A 74 -0.393 5.224 -2.110 1.00 44.03 H new ATOM 1225 N THR A 75 -2.485 10.736 -0.578 1.00 43.43 N ATOM 1226 CA THR A 75 -3.038 11.988 -1.140 1.00 61.14 C ATOM 1227 C THR A 75 -2.265 13.235 -0.614 1.00 24.22 C ATOM 1228 O THR A 75 -2.089 14.222 -1.343 1.00 62.40 O ATOM 1229 CB THR A 75 -4.571 12.104 -0.825 1.00 63.13 C ATOM 1230 OG1 THR A 75 -5.254 10.955 -1.363 1.00 1.43 O ATOM 1231 CG2 THR A 75 -5.213 13.384 -1.407 1.00 24.31 C ATOM 0 H THR A 75 -3.130 10.247 0.043 1.00 43.43 H new ATOM 0 HA THR A 75 -2.912 11.955 -2.222 1.00 61.14 H new ATOM 0 HB THR A 75 -4.671 12.153 0.259 1.00 63.13 H new ATOM 0 HG1 THR A 75 -5.156 10.199 -0.748 1.00 1.43 H new ATOM 0 HG21 THR A 75 -6.273 13.406 -1.155 1.00 24.31 H new ATOM 0 HG22 THR A 75 -4.722 14.261 -0.986 1.00 24.31 H new ATOM 0 HG23 THR A 75 -5.097 13.389 -2.491 1.00 24.31 H new ATOM 1239 N GLN A 76 -1.785 13.160 0.643 1.00 40.02 N ATOM 1240 CA GLN A 76 -1.057 14.273 1.298 1.00 53.34 C ATOM 1241 C GLN A 76 0.443 14.294 0.924 1.00 3.21 C ATOM 1242 O GLN A 76 1.017 15.376 0.742 1.00 43.31 O ATOM 1243 CB GLN A 76 -1.230 14.202 2.836 1.00 51.10 C ATOM 1244 CG GLN A 76 -2.664 14.451 3.336 1.00 1.41 C ATOM 1245 CD GLN A 76 -2.763 14.341 4.858 1.00 64.51 C ATOM 1246 OE1 GLN A 76 -2.639 15.329 5.579 1.00 24.21 O ATOM 1247 NE2 GLN A 76 -2.927 13.127 5.358 1.00 74.22 N ATOM 0 H GLN A 76 -1.888 12.334 1.232 1.00 40.02 H new ATOM 0 HA GLN A 76 -1.493 15.202 0.931 1.00 53.34 H new ATOM 0 HB2 GLN A 76 -0.906 13.219 3.179 1.00 51.10 H new ATOM 0 HB3 GLN A 76 -0.567 14.935 3.296 1.00 51.10 H new ATOM 0 HG2 GLN A 76 -2.992 15.442 3.021 1.00 1.41 H new ATOM 0 HG3 GLN A 76 -3.340 13.731 2.875 1.00 1.41 H new ATOM 0 HE21 GLN A 76 -3.027 12.327 4.733 1.00 74.22 H new ATOM 0 HE22 GLN A 76 -2.953 12.991 6.369 1.00 74.22 H new ATOM 1256 N THR A 77 1.074 13.106 0.806 1.00 30.34 N ATOM 1257 CA THR A 77 2.518 13.013 0.520 1.00 31.44 C ATOM 1258 C THR A 77 2.783 13.324 -0.960 1.00 30.13 C ATOM 1259 O THR A 77 2.060 12.856 -1.854 1.00 71.44 O ATOM 1260 CB THR A 77 3.146 11.622 0.908 1.00 45.30 C ATOM 1261 OG1 THR A 77 4.567 11.662 0.701 1.00 1.34 O ATOM 1262 CG2 THR A 77 2.573 10.435 0.110 1.00 43.33 C ATOM 0 H THR A 77 0.608 12.204 0.904 1.00 30.34 H new ATOM 0 HA THR A 77 3.008 13.756 1.150 1.00 31.44 H new ATOM 0 HB THR A 77 2.894 11.460 1.956 1.00 45.30 H new ATOM 0 HG1 THR A 77 4.957 10.797 0.944 1.00 1.34 H new ATOM 0 HG21 THR A 77 3.055 9.512 0.434 1.00 43.33 H new ATOM 0 HG22 THR A 77 1.499 10.364 0.284 1.00 43.33 H new ATOM 0 HG23 THR A 77 2.759 10.588 -0.953 1.00 43.33 H new ATOM 1270 N LYS A 78 3.801 14.153 -1.206 1.00 55.44 N ATOM 1271 CA LYS A 78 4.220 14.546 -2.562 1.00 4.41 C ATOM 1272 C LYS A 78 5.503 13.799 -2.968 1.00 45.14 C ATOM 1273 O LYS A 78 6.128 14.123 -3.986 1.00 62.21 O ATOM 1274 CB LYS A 78 4.403 16.082 -2.629 1.00 30.31 C ATOM 1275 CG LYS A 78 3.171 16.876 -2.120 1.00 61.05 C ATOM 1276 CD LYS A 78 3.258 18.384 -2.440 1.00 10.22 C ATOM 1277 CE LYS A 78 3.179 18.654 -3.955 1.00 23.13 C ATOM 1278 NZ LYS A 78 3.334 20.090 -4.284 1.00 22.45 N ATOM 0 H LYS A 78 4.364 14.575 -0.468 1.00 55.44 H new ATOM 0 HA LYS A 78 3.444 14.267 -3.275 1.00 4.41 H new ATOM 0 HB2 LYS A 78 5.275 16.362 -2.038 1.00 30.31 H new ATOM 0 HB3 LYS A 78 4.610 16.370 -3.659 1.00 30.31 H new ATOM 0 HG2 LYS A 78 2.268 16.465 -2.571 1.00 61.05 H new ATOM 0 HG3 LYS A 78 3.078 16.743 -1.042 1.00 61.05 H new ATOM 0 HD2 LYS A 78 2.448 18.910 -1.935 1.00 10.22 H new ATOM 0 HD3 LYS A 78 4.192 18.785 -2.048 1.00 10.22 H new ATOM 0 HE2 LYS A 78 3.955 18.082 -4.464 1.00 23.13 H new ATOM 0 HE3 LYS A 78 2.221 18.299 -4.335 1.00 23.13 H new ATOM 0 HZ1 LYS A 78 3.273 20.219 -5.314 1.00 22.45 H new ATOM 0 HZ2 LYS A 78 2.579 20.636 -3.822 1.00 22.45 H new ATOM 0 HZ3 LYS A 78 4.259 20.425 -3.947 1.00 22.45 H new ATOM 1292 N GLU A 79 5.856 12.770 -2.170 1.00 51.53 N ATOM 1293 CA GLU A 79 6.978 11.858 -2.443 1.00 23.12 C ATOM 1294 C GLU A 79 6.529 10.746 -3.397 1.00 42.11 C ATOM 1295 O GLU A 79 5.337 10.574 -3.632 1.00 63.24 O ATOM 1296 CB GLU A 79 7.483 11.241 -1.117 1.00 33.41 C ATOM 1297 CG GLU A 79 7.978 12.272 -0.083 1.00 72.30 C ATOM 1298 CD GLU A 79 8.390 11.621 1.241 1.00 70.21 C ATOM 1299 OE1 GLU A 79 9.420 10.908 1.260 1.00 11.05 O ATOM 1300 OE2 GLU A 79 7.688 11.787 2.256 1.00 64.32 O ATOM 0 H GLU A 79 5.360 12.549 -1.306 1.00 51.53 H new ATOM 0 HA GLU A 79 7.788 12.419 -2.910 1.00 23.12 H new ATOM 0 HB2 GLU A 79 6.678 10.656 -0.672 1.00 33.41 H new ATOM 0 HB3 GLU A 79 8.295 10.548 -1.339 1.00 33.41 H new ATOM 0 HG2 GLU A 79 8.827 12.818 -0.496 1.00 72.30 H new ATOM 0 HG3 GLU A 79 7.190 13.002 0.104 1.00 72.30 H new ATOM 1307 N ARG A 80 7.498 9.996 -3.935 1.00 2.41 N ATOM 1308 CA ARG A 80 7.241 8.852 -4.833 1.00 71.22 C ATOM 1309 C ARG A 80 8.055 7.626 -4.371 1.00 33.10 C ATOM 1310 O ARG A 80 9.082 7.788 -3.685 1.00 23.15 O ATOM 1311 CB ARG A 80 7.605 9.228 -6.305 1.00 53.22 C ATOM 1312 CG ARG A 80 6.616 10.209 -6.969 1.00 52.23 C ATOM 1313 CD ARG A 80 7.133 10.767 -8.305 1.00 54.25 C ATOM 1314 NE ARG A 80 6.165 11.690 -8.925 1.00 4.40 N ATOM 1315 CZ ARG A 80 6.457 12.620 -9.851 1.00 62.51 C ATOM 1316 NH1 ARG A 80 7.704 12.791 -10.289 1.00 11.04 N ATOM 1317 NH2 ARG A 80 5.486 13.379 -10.338 1.00 34.34 N ATOM 0 H ARG A 80 8.489 10.162 -3.762 1.00 2.41 H new ATOM 0 HA ARG A 80 6.181 8.602 -4.794 1.00 71.22 H new ATOM 0 HB2 ARG A 80 8.602 9.669 -6.320 1.00 53.22 H new ATOM 0 HB3 ARG A 80 7.650 8.316 -6.901 1.00 53.22 H new ATOM 0 HG2 ARG A 80 5.666 9.702 -7.136 1.00 52.23 H new ATOM 0 HG3 ARG A 80 6.420 11.036 -6.287 1.00 52.23 H new ATOM 0 HD2 ARG A 80 8.077 11.287 -8.141 1.00 54.25 H new ATOM 0 HD3 ARG A 80 7.338 9.943 -8.988 1.00 54.25 H new ATOM 0 HE ARG A 80 5.192 11.617 -8.626 1.00 4.40 H new ATOM 0 HH11 ARG A 80 8.458 12.211 -9.921 1.00 11.04 H new ATOM 0 HH12 ARG A 80 7.905 13.502 -10.992 1.00 11.04 H new ATOM 0 HH21 ARG A 80 4.528 13.255 -10.010 1.00 34.34 H new ATOM 0 HH22 ARG A 80 5.696 14.088 -11.041 1.00 34.34 H new ATOM 1331 N PRO A 81 7.579 6.374 -4.690 1.00 71.44 N ATOM 1332 CA PRO A 81 8.385 5.152 -4.516 1.00 13.24 C ATOM 1333 C PRO A 81 9.516 5.112 -5.570 1.00 42.32 C ATOM 1334 O PRO A 81 9.255 5.125 -6.781 1.00 32.01 O ATOM 1335 CB PRO A 81 7.365 3.985 -4.706 1.00 2.34 C ATOM 1336 CG PRO A 81 6.001 4.628 -4.745 1.00 64.15 C ATOM 1337 CD PRO A 81 6.223 6.051 -5.207 1.00 20.04 C ATOM 0 HA PRO A 81 8.878 5.093 -3.546 1.00 13.24 H new ATOM 0 HB2 PRO A 81 7.565 3.438 -5.627 1.00 2.34 H new ATOM 0 HB3 PRO A 81 7.435 3.268 -3.888 1.00 2.34 H new ATOM 0 HG2 PRO A 81 5.338 4.095 -5.427 1.00 64.15 H new ATOM 0 HG3 PRO A 81 5.531 4.606 -3.762 1.00 64.15 H new ATOM 0 HD2 PRO A 81 6.177 6.133 -6.293 1.00 20.04 H new ATOM 0 HD3 PRO A 81 5.468 6.726 -4.804 1.00 20.04 H new ATOM 1345 N ARG A 82 10.760 5.080 -5.095 1.00 61.32 N ATOM 1346 CA ARG A 82 11.969 5.113 -5.939 1.00 54.43 C ATOM 1347 C ARG A 82 12.935 3.995 -5.490 1.00 20.14 C ATOM 1348 O ARG A 82 12.764 3.434 -4.404 1.00 31.01 O ATOM 1349 CB ARG A 82 12.618 6.524 -5.845 1.00 71.12 C ATOM 1350 CG ARG A 82 13.704 6.801 -6.905 1.00 73.22 C ATOM 1351 CD ARG A 82 14.222 8.243 -6.871 1.00 55.14 C ATOM 1352 NE ARG A 82 15.220 8.500 -7.934 1.00 14.25 N ATOM 1353 CZ ARG A 82 16.236 9.375 -7.845 1.00 54.13 C ATOM 1354 NH1 ARG A 82 16.423 10.089 -6.735 1.00 61.12 N ATOM 1355 NH2 ARG A 82 17.064 9.529 -8.871 1.00 55.04 N ATOM 0 H ARG A 82 10.967 5.030 -4.098 1.00 61.32 H new ATOM 0 HA ARG A 82 11.717 4.931 -6.984 1.00 54.43 H new ATOM 0 HB2 ARG A 82 11.835 7.277 -5.940 1.00 71.12 H new ATOM 0 HB3 ARG A 82 13.057 6.643 -4.854 1.00 71.12 H new ATOM 0 HG2 ARG A 82 14.539 6.117 -6.749 1.00 73.22 H new ATOM 0 HG3 ARG A 82 13.300 6.590 -7.895 1.00 73.22 H new ATOM 0 HD2 ARG A 82 13.385 8.932 -6.986 1.00 55.14 H new ATOM 0 HD3 ARG A 82 14.669 8.445 -5.898 1.00 55.14 H new ATOM 0 HE ARG A 82 15.129 7.972 -8.802 1.00 14.25 H new ATOM 0 HH11 ARG A 82 15.792 9.974 -5.942 1.00 61.12 H new ATOM 0 HH12 ARG A 82 17.198 10.750 -6.678 1.00 61.12 H new ATOM 0 HH21 ARG A 82 16.928 8.984 -9.723 1.00 55.04 H new ATOM 0 HH22 ARG A 82 17.837 10.192 -8.808 1.00 55.04 H new ATOM 1369 N LEU A 83 13.913 3.650 -6.349 1.00 22.24 N ATOM 1370 CA LEU A 83 14.850 2.529 -6.127 1.00 12.34 C ATOM 1371 C LEU A 83 15.633 2.681 -4.798 1.00 11.25 C ATOM 1372 O LEU A 83 16.571 3.481 -4.701 1.00 53.41 O ATOM 1373 CB LEU A 83 15.824 2.421 -7.334 1.00 15.30 C ATOM 1374 CG LEU A 83 16.845 1.235 -7.300 1.00 44.45 C ATOM 1375 CD1 LEU A 83 16.126 -0.134 -7.281 1.00 14.31 C ATOM 1376 CD2 LEU A 83 17.848 1.332 -8.471 1.00 43.41 C ATOM 0 H LEU A 83 14.077 4.146 -7.225 1.00 22.24 H new ATOM 0 HA LEU A 83 14.269 1.610 -6.046 1.00 12.34 H new ATOM 0 HB2 LEU A 83 15.231 2.336 -8.245 1.00 15.30 H new ATOM 0 HB3 LEU A 83 16.385 3.353 -7.405 1.00 15.30 H new ATOM 0 HG LEU A 83 17.411 1.313 -6.372 1.00 44.45 H new ATOM 0 HD11 LEU A 83 16.866 -0.934 -7.258 1.00 14.31 H new ATOM 0 HD12 LEU A 83 15.493 -0.200 -6.396 1.00 14.31 H new ATOM 0 HD13 LEU A 83 15.512 -0.235 -8.176 1.00 14.31 H new ATOM 0 HD21 LEU A 83 18.545 0.496 -8.423 1.00 43.41 H new ATOM 0 HD22 LEU A 83 17.307 1.300 -9.417 1.00 43.41 H new ATOM 0 HD23 LEU A 83 18.400 2.269 -8.401 1.00 43.41 H new ATOM 1388 N GLY A 84 15.195 1.925 -3.773 1.00 24.12 N ATOM 1389 CA GLY A 84 15.799 1.967 -2.432 1.00 4.22 C ATOM 1390 C GLY A 84 14.929 2.733 -1.437 1.00 51.41 C ATOM 1391 O GLY A 84 14.955 2.454 -0.231 1.00 62.41 O ATOM 0 H GLY A 84 14.416 1.272 -3.853 1.00 24.12 H new ATOM 0 HA2 GLY A 84 15.953 0.950 -2.071 1.00 4.22 H new ATOM 0 HA3 GLY A 84 16.781 2.436 -2.491 1.00 4.22 H new ATOM 1395 N LYS A 85 14.150 3.695 -1.952 1.00 34.22 N ATOM 1396 CA LYS A 85 13.270 4.559 -1.146 1.00 13.42 C ATOM 1397 C LYS A 85 11.798 4.101 -1.269 1.00 43.31 C ATOM 1398 O LYS A 85 11.147 4.342 -2.287 1.00 41.23 O ATOM 1399 CB LYS A 85 13.437 6.027 -1.633 1.00 62.32 C ATOM 1400 CG LYS A 85 12.554 7.072 -0.919 1.00 62.44 C ATOM 1401 CD LYS A 85 12.821 8.508 -1.427 1.00 63.42 C ATOM 1402 CE LYS A 85 11.932 9.555 -0.737 1.00 14.14 C ATOM 1403 NZ LYS A 85 10.491 9.343 -1.029 1.00 23.40 N ATOM 0 H LYS A 85 14.112 3.899 -2.951 1.00 34.22 H new ATOM 0 HA LYS A 85 13.547 4.491 -0.094 1.00 13.42 H new ATOM 0 HB2 LYS A 85 14.481 6.315 -1.510 1.00 62.32 H new ATOM 0 HB3 LYS A 85 13.220 6.063 -2.701 1.00 62.32 H new ATOM 0 HG2 LYS A 85 11.504 6.824 -1.073 1.00 62.44 H new ATOM 0 HG3 LYS A 85 12.738 7.028 0.154 1.00 62.44 H new ATOM 0 HD2 LYS A 85 13.868 8.759 -1.260 1.00 63.42 H new ATOM 0 HD3 LYS A 85 12.652 8.546 -2.503 1.00 63.42 H new ATOM 0 HE2 LYS A 85 12.093 9.514 0.340 1.00 14.14 H new ATOM 0 HE3 LYS A 85 12.225 10.552 -1.065 1.00 14.14 H new ATOM 0 HZ1 LYS A 85 9.916 9.867 -0.339 1.00 23.40 H new ATOM 0 HZ2 LYS A 85 10.277 9.685 -1.988 1.00 23.40 H new ATOM 0 HZ3 LYS A 85 10.269 8.329 -0.965 1.00 23.40 H new ATOM 1417 N ALA A 86 11.284 3.429 -0.233 1.00 53.31 N ATOM 1418 CA ALA A 86 9.859 3.044 -0.150 1.00 1.25 C ATOM 1419 C ALA A 86 9.047 4.183 0.488 1.00 63.24 C ATOM 1420 O ALA A 86 9.615 5.050 1.167 1.00 14.24 O ATOM 1421 CB ALA A 86 9.710 1.744 0.660 1.00 11.20 C ATOM 0 H ALA A 86 11.837 3.135 0.572 1.00 53.31 H new ATOM 0 HA ALA A 86 9.474 2.866 -1.154 1.00 1.25 H new ATOM 0 HB1 ALA A 86 8.657 1.469 0.716 1.00 11.20 H new ATOM 0 HB2 ALA A 86 10.269 0.945 0.172 1.00 11.20 H new ATOM 0 HB3 ALA A 86 10.099 1.896 1.667 1.00 11.20 H new ATOM 1427 N VAL A 87 7.723 4.196 0.242 1.00 12.20 N ATOM 1428 CA VAL A 87 6.794 5.159 0.869 1.00 73.50 C ATOM 1429 C VAL A 87 6.133 4.487 2.086 1.00 72.31 C ATOM 1430 O VAL A 87 5.154 3.745 1.945 1.00 24.40 O ATOM 1431 CB VAL A 87 5.703 5.682 -0.149 1.00 54.33 C ATOM 1432 CG1 VAL A 87 4.710 6.667 0.526 1.00 60.42 C ATOM 1433 CG2 VAL A 87 6.372 6.338 -1.379 1.00 64.33 C ATOM 0 H VAL A 87 7.267 3.542 -0.395 1.00 12.20 H new ATOM 0 HA VAL A 87 7.360 6.033 1.189 1.00 73.50 H new ATOM 0 HB VAL A 87 5.129 4.818 -0.485 1.00 54.33 H new ATOM 0 HG11 VAL A 87 3.976 7.003 -0.207 1.00 60.42 H new ATOM 0 HG12 VAL A 87 4.199 6.163 1.346 1.00 60.42 H new ATOM 0 HG13 VAL A 87 5.257 7.527 0.913 1.00 60.42 H new ATOM 0 HG21 VAL A 87 5.603 6.691 -2.066 1.00 64.33 H new ATOM 0 HG22 VAL A 87 6.983 7.180 -1.055 1.00 64.33 H new ATOM 0 HG23 VAL A 87 7.002 5.606 -1.884 1.00 64.33 H new ATOM 1443 N SER A 88 6.711 4.727 3.273 1.00 52.23 N ATOM 1444 CA SER A 88 6.243 4.128 4.525 1.00 73.13 C ATOM 1445 C SER A 88 4.985 4.868 4.997 1.00 34.03 C ATOM 1446 O SER A 88 5.050 6.046 5.365 1.00 31.53 O ATOM 1447 CB SER A 88 7.362 4.183 5.596 1.00 73.50 C ATOM 1448 OG SER A 88 6.954 3.579 6.815 1.00 72.40 O ATOM 0 H SER A 88 7.516 5.343 3.388 1.00 52.23 H new ATOM 0 HA SER A 88 5.993 3.080 4.362 1.00 73.13 H new ATOM 0 HB2 SER A 88 8.251 3.677 5.219 1.00 73.50 H new ATOM 0 HB3 SER A 88 7.639 5.221 5.779 1.00 73.50 H new ATOM 0 HG SER A 88 7.684 3.631 7.466 1.00 72.40 H new ATOM 1454 N ILE A 89 3.845 4.178 4.912 1.00 14.24 N ATOM 1455 CA ILE A 89 2.541 4.704 5.335 1.00 52.52 C ATOM 1456 C ILE A 89 2.272 4.309 6.793 1.00 21.33 C ATOM 1457 O ILE A 89 2.103 3.118 7.073 1.00 50.41 O ATOM 1458 CB ILE A 89 1.387 4.151 4.425 1.00 54.31 C ATOM 1459 CG1 ILE A 89 1.681 4.468 2.925 1.00 21.03 C ATOM 1460 CG2 ILE A 89 0.001 4.703 4.861 1.00 32.32 C ATOM 1461 CD1 ILE A 89 0.746 3.795 1.961 1.00 32.40 C ATOM 0 H ILE A 89 3.799 3.228 4.544 1.00 14.24 H new ATOM 0 HA ILE A 89 2.566 5.790 5.242 1.00 52.52 H new ATOM 0 HB ILE A 89 1.350 3.068 4.545 1.00 54.31 H new ATOM 0 HG12 ILE A 89 1.626 5.546 2.775 1.00 21.03 H new ATOM 0 HG13 ILE A 89 2.703 4.166 2.694 1.00 21.03 H new ATOM 0 HG21 ILE A 89 -0.773 4.299 4.209 1.00 32.32 H new ATOM 0 HG22 ILE A 89 -0.201 4.407 5.890 1.00 32.32 H new ATOM 0 HG23 ILE A 89 0.004 5.791 4.790 1.00 32.32 H new ATOM 0 HD11 ILE A 89 1.018 4.067 0.941 1.00 32.40 H new ATOM 0 HD12 ILE A 89 0.817 2.714 2.080 1.00 32.40 H new ATOM 0 HD13 ILE A 89 -0.276 4.116 2.162 1.00 32.40 H new ATOM 1473 N PRO A 90 2.250 5.285 7.755 1.00 25.13 N ATOM 1474 CA PRO A 90 1.844 5.006 9.144 1.00 45.11 C ATOM 1475 C PRO A 90 0.352 4.616 9.193 1.00 62.40 C ATOM 1476 O PRO A 90 -0.518 5.398 8.797 1.00 34.43 O ATOM 1477 CB PRO A 90 2.138 6.341 9.888 1.00 62.51 C ATOM 1478 CG PRO A 90 2.125 7.397 8.817 1.00 75.10 C ATOM 1479 CD PRO A 90 2.625 6.716 7.564 1.00 0.14 C ATOM 0 HA PRO A 90 2.373 4.169 9.600 1.00 45.11 H new ATOM 0 HB2 PRO A 90 1.384 6.542 10.649 1.00 62.51 H new ATOM 0 HB3 PRO A 90 3.102 6.306 10.395 1.00 62.51 H new ATOM 0 HG2 PRO A 90 1.121 7.795 8.672 1.00 75.10 H new ATOM 0 HG3 PRO A 90 2.765 8.237 9.088 1.00 75.10 H new ATOM 0 HD2 PRO A 90 2.161 7.134 6.671 1.00 0.14 H new ATOM 0 HD3 PRO A 90 3.702 6.834 7.449 1.00 0.14 H new ATOM 1487 N LEU A 91 0.077 3.367 9.591 1.00 12.33 N ATOM 1488 CA LEU A 91 -1.287 2.885 9.844 1.00 41.02 C ATOM 1489 C LEU A 91 -1.528 2.949 11.348 1.00 35.15 C ATOM 1490 O LEU A 91 -0.912 2.186 12.108 1.00 45.53 O ATOM 1491 CB LEU A 91 -1.464 1.434 9.318 1.00 4.44 C ATOM 1492 CG LEU A 91 -1.147 1.201 7.807 1.00 31.45 C ATOM 1493 CD1 LEU A 91 -1.381 -0.274 7.409 1.00 72.15 C ATOM 1494 CD2 LEU A 91 -1.957 2.165 6.917 1.00 50.22 C ATOM 0 H LEU A 91 0.796 2.661 9.747 1.00 12.33 H new ATOM 0 HA LEU A 91 -2.012 3.507 9.319 1.00 41.02 H new ATOM 0 HB2 LEU A 91 -0.824 0.777 9.907 1.00 4.44 H new ATOM 0 HB3 LEU A 91 -2.493 1.127 9.503 1.00 4.44 H new ATOM 0 HG LEU A 91 -0.091 1.417 7.647 1.00 31.45 H new ATOM 0 HD11 LEU A 91 -1.152 -0.406 6.352 1.00 72.15 H new ATOM 0 HD12 LEU A 91 -0.734 -0.918 8.004 1.00 72.15 H new ATOM 0 HD13 LEU A 91 -2.423 -0.539 7.591 1.00 72.15 H new ATOM 0 HD21 LEU A 91 -1.717 1.981 5.870 1.00 50.22 H new ATOM 0 HD22 LEU A 91 -3.022 2.002 7.079 1.00 50.22 H new ATOM 0 HD23 LEU A 91 -1.705 3.194 7.172 1.00 50.22 H new ATOM 1506 N ASP A 92 -2.386 3.894 11.783 1.00 31.54 N ATOM 1507 CA ASP A 92 -2.703 4.056 13.201 1.00 44.44 C ATOM 1508 C ASP A 92 -3.581 2.898 13.671 1.00 43.11 C ATOM 1509 O ASP A 92 -4.797 2.892 13.468 1.00 32.02 O ATOM 1510 CB ASP A 92 -3.391 5.418 13.525 1.00 64.24 C ATOM 1511 CG ASP A 92 -3.778 5.530 15.023 1.00 55.14 C ATOM 1512 OD1 ASP A 92 -2.868 5.614 15.874 1.00 41.14 O ATOM 1513 OD2 ASP A 92 -4.981 5.509 15.356 1.00 65.21 O ATOM 0 H ASP A 92 -2.866 4.551 11.168 1.00 31.54 H new ATOM 0 HA ASP A 92 -1.756 4.051 13.740 1.00 44.44 H new ATOM 0 HB2 ASP A 92 -2.720 6.235 13.262 1.00 64.24 H new ATOM 0 HB3 ASP A 92 -4.284 5.529 12.910 1.00 64.24 H new ATOM 1518 N LEU A 93 -2.919 1.874 14.216 1.00 14.13 N ATOM 1519 CA LEU A 93 -3.574 0.812 14.983 1.00 4.23 C ATOM 1520 C LEU A 93 -3.236 1.007 16.468 1.00 32.02 C ATOM 1521 O LEU A 93 -3.051 0.050 17.227 1.00 12.34 O ATOM 1522 CB LEU A 93 -3.160 -0.590 14.453 1.00 43.11 C ATOM 1523 CG LEU A 93 -3.443 -0.862 12.936 1.00 11.00 C ATOM 1524 CD1 LEU A 93 -3.174 -2.335 12.586 1.00 43.03 C ATOM 1525 CD2 LEU A 93 -4.877 -0.441 12.518 1.00 52.02 C ATOM 0 H LEU A 93 -1.909 1.758 14.137 1.00 14.13 H new ATOM 0 HA LEU A 93 -4.656 0.869 14.864 1.00 4.23 H new ATOM 0 HB2 LEU A 93 -2.093 -0.724 14.633 1.00 43.11 H new ATOM 0 HB3 LEU A 93 -3.680 -1.347 15.041 1.00 43.11 H new ATOM 0 HG LEU A 93 -2.754 -0.240 12.365 1.00 11.00 H new ATOM 0 HD11 LEU A 93 -3.377 -2.501 11.528 1.00 43.03 H new ATOM 0 HD12 LEU A 93 -2.132 -2.575 12.797 1.00 43.03 H new ATOM 0 HD13 LEU A 93 -3.822 -2.975 13.184 1.00 43.03 H new ATOM 0 HD21 LEU A 93 -5.023 -0.650 11.458 1.00 52.02 H new ATOM 0 HD22 LEU A 93 -5.606 -1.002 13.102 1.00 52.02 H new ATOM 0 HD23 LEU A 93 -5.011 0.625 12.699 1.00 52.02 H new ATOM 1537 N GLY A 94 -3.151 2.287 16.868 1.00 15.32 N ATOM 1538 CA GLY A 94 -3.132 2.666 18.268 1.00 60.23 C ATOM 1539 C GLY A 94 -4.550 2.967 18.718 1.00 42.33 C ATOM 1540 O GLY A 94 -5.173 2.167 19.427 1.00 14.20 O ATOM 0 H GLY A 94 -3.094 3.076 16.224 1.00 15.32 H new ATOM 0 HA2 GLY A 94 -2.709 1.862 18.870 1.00 60.23 H new ATOM 0 HA3 GLY A 94 -2.498 3.540 18.413 1.00 60.23 H new ATOM 1544 N GLU A 95 -5.088 4.093 18.221 1.00 3.30 N ATOM 1545 CA GLU A 95 -6.429 4.576 18.583 1.00 53.02 C ATOM 1546 C GLU A 95 -7.512 3.831 17.776 1.00 73.31 C ATOM 1547 O GLU A 95 -8.558 3.459 18.323 1.00 62.24 O ATOM 1548 CB GLU A 95 -6.531 6.100 18.323 1.00 10.22 C ATOM 1549 CG GLU A 95 -7.869 6.737 18.760 1.00 14.41 C ATOM 1550 CD GLU A 95 -8.079 8.145 18.199 1.00 3.32 C ATOM 1551 OE1 GLU A 95 -8.634 8.262 17.087 1.00 55.42 O ATOM 1552 OE2 GLU A 95 -7.691 9.136 18.845 1.00 42.34 O ATOM 0 H GLU A 95 -4.603 4.695 17.555 1.00 3.30 H new ATOM 0 HA GLU A 95 -6.592 4.381 19.643 1.00 53.02 H new ATOM 0 HB2 GLU A 95 -5.717 6.600 18.847 1.00 10.22 H new ATOM 0 HB3 GLU A 95 -6.386 6.285 17.259 1.00 10.22 H new ATOM 0 HG2 GLU A 95 -8.691 6.098 18.437 1.00 14.41 H new ATOM 0 HG3 GLU A 95 -7.906 6.778 19.849 1.00 14.41 H new ATOM 1559 N ARG A 96 -7.259 3.613 16.468 1.00 40.41 N ATOM 1560 CA ARG A 96 -8.253 2.980 15.560 1.00 21.53 C ATOM 1561 C ARG A 96 -8.337 1.453 15.754 1.00 30.31 C ATOM 1562 O ARG A 96 -9.231 0.800 15.204 1.00 31.10 O ATOM 1563 CB ARG A 96 -7.980 3.339 14.072 1.00 12.21 C ATOM 1564 CG ARG A 96 -7.851 4.859 13.763 1.00 72.13 C ATOM 1565 CD ARG A 96 -8.924 5.738 14.438 1.00 13.40 C ATOM 1566 NE ARG A 96 -10.302 5.276 14.150 1.00 11.33 N ATOM 1567 CZ ARG A 96 -11.265 5.102 15.074 1.00 12.34 C ATOM 1568 NH1 ARG A 96 -11.023 5.341 16.363 1.00 11.41 N ATOM 1569 NH2 ARG A 96 -12.470 4.683 14.709 1.00 62.42 N ATOM 0 H ARG A 96 -6.381 3.863 16.014 1.00 40.41 H new ATOM 0 HA ARG A 96 -9.225 3.392 15.832 1.00 21.53 H new ATOM 0 HB2 ARG A 96 -7.061 2.843 13.759 1.00 12.21 H new ATOM 0 HB3 ARG A 96 -8.786 2.929 13.464 1.00 12.21 H new ATOM 0 HG2 ARG A 96 -6.866 5.200 14.081 1.00 72.13 H new ATOM 0 HG3 ARG A 96 -7.905 5.004 12.684 1.00 72.13 H new ATOM 0 HD2 ARG A 96 -8.763 5.738 15.516 1.00 13.40 H new ATOM 0 HD3 ARG A 96 -8.811 6.768 14.098 1.00 13.40 H new ATOM 0 HE ARG A 96 -10.539 5.075 13.178 1.00 11.33 H new ATOM 0 HH11 ARG A 96 -10.100 5.659 16.658 1.00 11.41 H new ATOM 0 HH12 ARG A 96 -11.761 5.206 17.054 1.00 11.41 H new ATOM 0 HH21 ARG A 96 -12.668 4.492 13.727 1.00 62.42 H new ATOM 0 HH22 ARG A 96 -13.199 4.552 15.411 1.00 62.42 H new ATOM 1583 N ALA A 97 -7.387 0.887 16.524 1.00 20.24 N ATOM 1584 CA ALA A 97 -7.442 -0.523 16.953 1.00 74.01 C ATOM 1585 C ALA A 97 -8.292 -0.665 18.226 1.00 43.45 C ATOM 1586 O ALA A 97 -8.893 -1.709 18.456 1.00 73.14 O ATOM 1587 CB ALA A 97 -6.034 -1.072 17.193 1.00 24.41 C ATOM 0 H ALA A 97 -6.567 1.390 16.863 1.00 20.24 H new ATOM 0 HA ALA A 97 -7.907 -1.103 16.156 1.00 74.01 H new ATOM 0 HB1 ALA A 97 -6.098 -2.113 17.509 1.00 24.41 H new ATOM 0 HB2 ALA A 97 -5.456 -1.007 16.271 1.00 24.41 H new ATOM 0 HB3 ALA A 97 -5.543 -0.487 17.971 1.00 24.41 H new ATOM 1593 N SER A 98 -8.374 0.421 19.030 1.00 12.23 N ATOM 1594 CA SER A 98 -9.054 0.415 20.345 1.00 1.41 C ATOM 1595 C SER A 98 -10.576 0.134 20.240 1.00 4.21 C ATOM 1596 O SER A 98 -11.237 -0.083 21.262 1.00 13.43 O ATOM 1597 CB SER A 98 -8.788 1.762 21.064 1.00 61.25 C ATOM 1598 OG SER A 98 -9.323 1.791 22.380 1.00 55.13 O ATOM 0 H SER A 98 -7.971 1.325 18.785 1.00 12.23 H new ATOM 0 HA SER A 98 -8.638 -0.406 20.929 1.00 1.41 H new ATOM 0 HB2 SER A 98 -7.714 1.941 21.108 1.00 61.25 H new ATOM 0 HB3 SER A 98 -9.223 2.574 20.481 1.00 61.25 H new ATOM 0 HG SER A 98 -10.084 1.176 22.437 1.00 55.13 H new ATOM 1604 N GLU A 99 -11.102 0.135 19.000 1.00 34.11 N ATOM 1605 CA GLU A 99 -12.511 -0.172 18.700 1.00 71.31 C ATOM 1606 C GLU A 99 -12.898 -1.573 19.216 1.00 30.21 C ATOM 1607 O GLU A 99 -13.898 -1.723 19.930 1.00 44.03 O ATOM 1608 CB GLU A 99 -12.767 -0.080 17.165 1.00 31.15 C ATOM 1609 CG GLU A 99 -12.230 1.203 16.495 1.00 10.24 C ATOM 1610 CD GLU A 99 -12.727 2.508 17.147 1.00 20.21 C ATOM 1611 OE1 GLU A 99 -13.837 2.974 16.803 1.00 62.25 O ATOM 1612 OE2 GLU A 99 -12.012 3.088 17.998 1.00 74.42 O ATOM 0 H GLU A 99 -10.552 0.352 18.169 1.00 34.11 H new ATOM 0 HA GLU A 99 -13.132 0.563 19.212 1.00 71.31 H new ATOM 0 HB2 GLU A 99 -12.310 -0.944 16.682 1.00 31.15 H new ATOM 0 HB3 GLU A 99 -13.840 -0.145 16.985 1.00 31.15 H new ATOM 0 HG2 GLU A 99 -11.141 1.187 16.524 1.00 10.24 H new ATOM 0 HG3 GLU A 99 -12.521 1.201 15.444 1.00 10.24 H new ATOM 1619 N TRP A 100 -12.082 -2.602 18.858 1.00 73.52 N ATOM 1620 CA TRP A 100 -12.364 -3.999 19.253 1.00 43.32 C ATOM 1621 C TRP A 100 -11.966 -4.277 20.715 1.00 65.01 C ATOM 1622 O TRP A 100 -12.446 -5.259 21.303 1.00 25.10 O ATOM 1623 CB TRP A 100 -11.706 -5.041 18.292 1.00 4.10 C ATOM 1624 CG TRP A 100 -10.185 -5.113 18.304 1.00 60.03 C ATOM 1625 CD1 TRP A 100 -9.326 -4.439 17.487 1.00 72.12 C ATOM 1626 CD2 TRP A 100 -9.352 -5.943 19.146 1.00 15.30 C ATOM 1627 NE1 TRP A 100 -8.026 -4.769 17.782 1.00 23.23 N ATOM 1628 CE2 TRP A 100 -8.016 -5.696 18.788 1.00 20.50 C ATOM 1629 CE3 TRP A 100 -9.612 -6.863 20.166 1.00 70.13 C ATOM 1630 CZ2 TRP A 100 -6.943 -6.323 19.416 1.00 63.34 C ATOM 1631 CZ3 TRP A 100 -8.551 -7.489 20.791 1.00 51.03 C ATOM 1632 CH2 TRP A 100 -7.228 -7.221 20.411 1.00 32.20 C ATOM 0 H TRP A 100 -11.234 -2.487 18.303 1.00 73.52 H new ATOM 0 HA TRP A 100 -13.444 -4.120 19.170 1.00 43.32 H new ATOM 0 HB2 TRP A 100 -12.096 -6.028 18.541 1.00 4.10 H new ATOM 0 HB3 TRP A 100 -12.029 -4.818 17.275 1.00 4.10 H new ATOM 0 HD1 TRP A 100 -9.626 -3.744 16.717 1.00 72.12 H new ATOM 0 HE1 TRP A 100 -7.200 -4.384 17.324 1.00 23.23 H new ATOM 0 HE3 TRP A 100 -10.628 -7.081 20.461 1.00 70.13 H new ATOM 0 HZ2 TRP A 100 -5.924 -6.109 19.129 1.00 63.34 H new ATOM 0 HZ3 TRP A 100 -8.743 -8.196 21.585 1.00 51.03 H new ATOM 0 HH2 TRP A 100 -6.419 -7.732 20.912 1.00 32.20 H new ATOM 1643 N ILE A 101 -11.074 -3.426 21.291 1.00 44.22 N ATOM 1644 CA ILE A 101 -10.704 -3.518 22.716 1.00 71.41 C ATOM 1645 C ILE A 101 -11.949 -3.170 23.566 1.00 53.13 C ATOM 1646 O ILE A 101 -12.346 -2.007 23.679 1.00 32.35 O ATOM 1647 CB ILE A 101 -9.459 -2.602 23.128 1.00 22.53 C ATOM 1648 CG1 ILE A 101 -8.099 -3.192 22.611 1.00 3.04 C ATOM 1649 CG2 ILE A 101 -9.378 -2.380 24.665 1.00 31.41 C ATOM 1650 CD1 ILE A 101 -7.864 -3.074 21.126 1.00 22.11 C ATOM 0 H ILE A 101 -10.604 -2.674 20.786 1.00 44.22 H new ATOM 0 HA ILE A 101 -10.375 -4.540 22.905 1.00 71.41 H new ATOM 0 HB ILE A 101 -9.627 -1.638 22.648 1.00 22.53 H new ATOM 0 HG12 ILE A 101 -7.284 -2.690 23.131 1.00 3.04 H new ATOM 0 HG13 ILE A 101 -8.052 -4.246 22.886 1.00 3.04 H new ATOM 0 HG21 ILE A 101 -8.517 -1.753 24.897 1.00 31.41 H new ATOM 0 HG22 ILE A 101 -10.288 -1.890 25.010 1.00 31.41 H new ATOM 0 HG23 ILE A 101 -9.271 -3.342 25.166 1.00 31.41 H new ATOM 0 HD11 ILE A 101 -6.898 -3.511 20.875 1.00 22.11 H new ATOM 0 HD12 ILE A 101 -8.652 -3.603 20.590 1.00 22.11 H new ATOM 0 HD13 ILE A 101 -7.872 -2.023 20.839 1.00 22.11 H new ATOM 1662 N ILE A 102 -12.612 -4.230 24.043 1.00 50.13 N ATOM 1663 CA ILE A 102 -13.697 -4.176 25.036 1.00 42.44 C ATOM 1664 C ILE A 102 -13.250 -5.024 26.246 1.00 62.12 C ATOM 1665 O ILE A 102 -13.507 -4.659 27.406 1.00 31.44 O ATOM 1666 CB ILE A 102 -15.063 -4.704 24.440 1.00 31.11 C ATOM 1667 CG1 ILE A 102 -15.495 -3.852 23.193 1.00 22.50 C ATOM 1668 CG2 ILE A 102 -16.187 -4.739 25.511 1.00 53.02 C ATOM 1669 CD1 ILE A 102 -15.774 -2.382 23.478 1.00 44.11 C ATOM 0 H ILE A 102 -12.403 -5.181 23.740 1.00 50.13 H new ATOM 0 HA ILE A 102 -13.880 -3.144 25.336 1.00 42.44 H new ATOM 0 HB ILE A 102 -14.901 -5.731 24.112 1.00 31.11 H new ATOM 0 HG12 ILE A 102 -14.711 -3.917 22.439 1.00 22.50 H new ATOM 0 HG13 ILE A 102 -16.391 -4.298 22.761 1.00 22.50 H new ATOM 0 HG21 ILE A 102 -17.108 -5.108 25.060 1.00 53.02 H new ATOM 0 HG22 ILE A 102 -15.892 -5.400 26.326 1.00 53.02 H new ATOM 0 HG23 ILE A 102 -16.350 -3.734 25.900 1.00 53.02 H new ATOM 0 HD11 ILE A 102 -16.064 -1.881 22.555 1.00 44.11 H new ATOM 0 HD12 ILE A 102 -16.582 -2.299 24.205 1.00 44.11 H new ATOM 0 HD13 ILE A 102 -14.876 -1.912 23.879 1.00 44.11 H new ATOM 1681 N LEU A 103 -12.543 -6.139 25.933 1.00 14.44 N ATOM 1682 CA LEU A 103 -11.919 -7.046 26.916 1.00 50.51 C ATOM 1683 C LEU A 103 -12.989 -7.669 27.837 1.00 73.32 C ATOM 1684 O LEU A 103 -13.194 -7.218 28.971 1.00 12.13 O ATOM 1685 CB LEU A 103 -10.789 -6.322 27.724 1.00 23.30 C ATOM 1686 CG LEU A 103 -9.626 -5.681 26.884 1.00 1.44 C ATOM 1687 CD1 LEU A 103 -8.615 -4.922 27.779 1.00 15.31 C ATOM 1688 CD2 LEU A 103 -8.915 -6.736 26.007 1.00 71.24 C ATOM 0 H LEU A 103 -12.391 -6.434 24.969 1.00 14.44 H new ATOM 0 HA LEU A 103 -11.440 -7.862 26.375 1.00 50.51 H new ATOM 0 HB2 LEU A 103 -11.249 -5.537 28.325 1.00 23.30 H new ATOM 0 HB3 LEU A 103 -10.353 -7.040 28.418 1.00 23.30 H new ATOM 0 HG LEU A 103 -10.081 -4.947 26.219 1.00 1.44 H new ATOM 0 HD11 LEU A 103 -7.828 -4.495 27.157 1.00 15.31 H new ATOM 0 HD12 LEU A 103 -9.130 -4.123 28.313 1.00 15.31 H new ATOM 0 HD13 LEU A 103 -8.175 -5.613 28.498 1.00 15.31 H new ATOM 0 HD21 LEU A 103 -8.116 -6.259 25.439 1.00 71.24 H new ATOM 0 HD22 LEU A 103 -8.493 -7.514 26.644 1.00 71.24 H new ATOM 0 HD23 LEU A 103 -9.634 -7.181 25.319 1.00 71.24 H new ATOM 1700 N GLU A 104 -13.693 -8.675 27.307 1.00 22.22 N ATOM 1701 CA GLU A 104 -14.858 -9.309 27.954 1.00 24.24 C ATOM 1702 C GLU A 104 -14.648 -10.843 28.103 1.00 0.44 C ATOM 1703 O GLU A 104 -14.625 -11.345 29.251 1.00 73.01 O ATOM 1704 CB GLU A 104 -16.150 -8.963 27.142 1.00 64.22 C ATOM 1705 CG GLU A 104 -16.066 -9.185 25.609 1.00 1.01 C ATOM 1706 CD GLU A 104 -17.391 -8.894 24.884 1.00 33.41 C ATOM 1707 OE1 GLU A 104 -17.613 -7.740 24.464 1.00 4.33 O ATOM 1708 OE2 GLU A 104 -18.221 -9.811 24.738 1.00 1.51 O ATOM 0 H GLU A 104 -13.469 -9.083 26.399 1.00 22.22 H new ATOM 0 HA GLU A 104 -14.974 -8.916 28.964 1.00 24.24 H new ATOM 0 HB2 GLU A 104 -16.972 -9.563 27.532 1.00 64.22 H new ATOM 0 HB3 GLU A 104 -16.402 -7.919 27.325 1.00 64.22 H new ATOM 0 HG2 GLU A 104 -15.285 -8.545 25.197 1.00 1.01 H new ATOM 0 HG3 GLU A 104 -15.770 -10.216 25.413 1.00 1.01 H new TER 1715 GLU A 104