USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 814 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 14 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Set 1.2: A 17 MET CE :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ 142:sc= 0.102 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -5.23! C(o=-5.2!,f=-7!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 20 GLN : amide:sc= -0.0622 K(o=-0.062,f=-1.2) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.41) USER MOD Single : A 31 ASN : amide:sc= -0.616 X(o=-0.62,f=-1.1) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.2) USER MOD Single : A 42 ASN : amide:sc=-0.00382 X(o=-0.0038,f=-0.017) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.085 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.15) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.00049) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=-0.011) USER MOD Single : A 58 GLN : amide:sc=-0.00892 X(o=-0.0089,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 66 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.00078) USER MOD Single : A 67 GLN : amide:sc= -0.422 K(o=-0.42,f=-4.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.26 X(o=-1.3,f=-1) USER MOD Single : A 81 GLN : amide:sc= -0.493 K(o=-0.49,f=-3.1!) USER MOD Single : A 83 ASN : amide:sc= -0.0754 X(o=-0.075,f=-0.35) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 17:sc= -0.165! USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 102.187 7.721 0.987 1.00 0.00 N ATOM 2 CA ARG A 1 102.036 8.183 2.357 1.00 0.00 C ATOM 3 C ARG A 1 100.595 8.629 2.611 1.00 0.00 C ATOM 4 O ARG A 1 99.839 8.863 1.669 1.00 0.00 O ATOM 5 CB ARG A 1 102.983 9.347 2.653 1.00 0.00 C ATOM 6 CG ARG A 1 104.176 8.884 3.491 1.00 0.00 C ATOM 7 CD ARG A 1 103.988 9.253 4.964 1.00 0.00 C ATOM 8 NE ARG A 1 104.111 10.718 5.139 1.00 0.00 N ATOM 9 CZ ARG A 1 105.275 11.396 5.046 1.00 0.00 C ATOM 10 NH1 ARG A 1 106.427 10.746 4.779 1.00 0.00 N ATOM 11 NH2 ARG A 1 105.269 12.704 5.220 1.00 0.00 N ATOM 0 H1 ARG A 1 103.112 8.022 0.619 1.00 0.00 H new ATOM 0 H2 ARG A 1 102.125 6.683 0.962 1.00 0.00 H new ATOM 0 H3 ARG A 1 101.432 8.127 0.398 1.00 0.00 H new ATOM 0 HA ARG A 1 102.284 7.351 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 1 103.337 9.779 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 1 102.445 10.133 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 1 104.295 7.805 3.395 1.00 0.00 H new ATOM 0 HG3 ARG A 1 105.090 9.341 3.112 1.00 0.00 H new ATOM 0 HD2 ARG A 1 103.010 8.918 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 1 104.733 8.742 5.573 1.00 0.00 H new ATOM 0 HE ARG A 1 103.264 11.248 5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 1 106.423 9.735 4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 1 107.302 11.266 4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 1 104.394 13.188 5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 1 106.140 13.231 5.153 1.00 0.00 H new ATOM 24 N LYS A 2 100.258 8.735 3.888 1.00 0.00 N ATOM 25 CA LYS A 2 98.921 9.149 4.277 1.00 0.00 C ATOM 26 C LYS A 2 97.918 8.066 3.874 1.00 0.00 C ATOM 27 O LYS A 2 98.165 7.302 2.942 1.00 0.00 O ATOM 28 CB LYS A 2 98.599 10.530 3.702 1.00 0.00 C ATOM 29 CG LYS A 2 99.491 11.605 4.325 1.00 0.00 C ATOM 30 CD LYS A 2 98.855 12.177 5.594 1.00 0.00 C ATOM 31 CE LYS A 2 99.910 12.422 6.674 1.00 0.00 C ATOM 32 NZ LYS A 2 99.406 11.992 7.998 1.00 0.00 N ATOM 0 H LYS A 2 100.888 8.541 4.666 1.00 0.00 H new ATOM 0 HA LYS A 2 98.856 9.257 5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 2 98.738 10.519 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 2 97.552 10.770 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 2 100.467 11.181 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 2 99.658 12.406 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 2 98.345 13.112 5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 2 98.099 11.487 5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 2 100.822 11.876 6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 2 100.170 13.480 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 100.134 12.165 8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 98.549 12.531 8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 99.180 10.977 7.971 1.00 0.00 H new ATOM 45 N LEU A 3 96.808 8.034 4.596 1.00 0.00 N ATOM 46 CA LEU A 3 95.767 7.057 4.325 1.00 0.00 C ATOM 47 C LEU A 3 94.409 7.762 4.290 1.00 0.00 C ATOM 48 O LEU A 3 94.281 8.893 4.755 1.00 0.00 O ATOM 49 CB LEU A 3 95.837 5.907 5.330 1.00 0.00 C ATOM 50 CG LEU A 3 96.459 4.606 4.819 1.00 0.00 C ATOM 51 CD1 LEU A 3 95.550 3.929 3.792 1.00 0.00 C ATOM 52 CD2 LEU A 3 97.865 4.851 4.267 1.00 0.00 C ATOM 0 H LEU A 3 96.607 8.669 5.368 1.00 0.00 H new ATOM 0 HA LEU A 3 95.916 6.603 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 3 96.406 6.243 6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 3 94.826 5.692 5.676 1.00 0.00 H new ATOM 0 HG LEU A 3 96.558 3.921 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 3 96.016 3.007 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 3 94.589 3.699 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 3 95.396 4.598 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 3 98.285 3.910 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 3 97.813 5.561 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 3 98.500 5.256 5.055 1.00 0.00 H new ATOM 64 N GLU A 4 93.430 7.063 3.734 1.00 0.00 N ATOM 65 CA GLU A 4 92.087 7.608 3.632 1.00 0.00 C ATOM 66 C GLU A 4 91.053 6.542 4.002 1.00 0.00 C ATOM 67 O GLU A 4 91.260 5.356 3.748 1.00 0.00 O ATOM 68 CB GLU A 4 91.825 8.163 2.231 1.00 0.00 C ATOM 69 CG GLU A 4 91.855 7.047 1.184 1.00 0.00 C ATOM 70 CD GLU A 4 90.958 7.388 -0.007 1.00 0.00 C ATOM 71 OE1 GLU A 4 89.895 6.774 -0.178 1.00 0.00 O ATOM 72 OE2 GLU A 4 91.400 8.330 -0.770 1.00 0.00 O ATOM 0 H GLU A 4 93.540 6.125 3.350 1.00 0.00 H new ATOM 0 HA GLU A 4 91.997 8.435 4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 4 90.856 8.661 2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 4 92.576 8.915 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 4 92.878 6.893 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 4 91.526 6.111 1.635 1.00 0.00 H new ATOM 80 N LEU A 5 89.961 7.003 4.595 1.00 0.00 N ATOM 81 CA LEU A 5 88.895 6.104 5.002 1.00 0.00 C ATOM 82 C LEU A 5 87.787 6.910 5.684 1.00 0.00 C ATOM 83 O LEU A 5 88.030 7.585 6.682 1.00 0.00 O ATOM 84 CB LEU A 5 89.450 4.970 5.866 1.00 0.00 C ATOM 85 CG LEU A 5 88.984 3.559 5.501 1.00 0.00 C ATOM 86 CD1 LEU A 5 87.457 3.479 5.460 1.00 0.00 C ATOM 87 CD2 LEU A 5 89.617 3.095 4.188 1.00 0.00 C ATOM 0 H LEU A 5 89.792 7.987 4.803 1.00 0.00 H new ATOM 0 HA LEU A 5 88.451 5.622 4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 5 90.538 4.997 5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 5 89.178 5.164 6.904 1.00 0.00 H new ATOM 0 HG LEU A 5 89.321 2.876 6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 5 87.153 2.466 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 5 87.053 3.738 6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 5 87.076 4.176 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 5 89.269 2.089 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 5 89.331 3.776 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 5 90.702 3.089 4.289 1.00 0.00 H new ATOM 99 N THR A 6 86.593 6.812 5.117 1.00 0.00 N ATOM 100 CA THR A 6 85.447 7.523 5.657 1.00 0.00 C ATOM 101 C THR A 6 84.166 7.093 4.940 1.00 0.00 C ATOM 102 O THR A 6 84.025 7.301 3.736 1.00 0.00 O ATOM 103 CB THR A 6 85.729 9.023 5.551 1.00 0.00 C ATOM 104 OG1 THR A 6 84.525 9.635 6.005 1.00 0.00 O ATOM 105 CG2 THR A 6 85.862 9.493 4.101 1.00 0.00 C ATOM 0 H THR A 6 86.395 6.251 4.289 1.00 0.00 H new ATOM 0 HA THR A 6 85.290 7.280 6.708 1.00 0.00 H new ATOM 0 HB THR A 6 86.644 9.260 6.094 1.00 0.00 H new ATOM 0 HG1 THR A 6 84.620 10.610 5.971 1.00 0.00 H new ATOM 0 HG21 THR A 6 86.062 10.564 4.083 1.00 0.00 H new ATOM 0 HG22 THR A 6 86.684 8.962 3.621 1.00 0.00 H new ATOM 0 HG23 THR A 6 84.935 9.287 3.565 1.00 0.00 H new ATOM 113 N LYS A 7 83.265 6.502 5.710 1.00 0.00 N ATOM 114 CA LYS A 7 82.000 6.041 5.163 1.00 0.00 C ATOM 115 C LYS A 7 81.206 7.241 4.643 1.00 0.00 C ATOM 116 O LYS A 7 81.045 8.236 5.349 1.00 0.00 O ATOM 117 CB LYS A 7 81.243 5.204 6.195 1.00 0.00 C ATOM 118 CG LYS A 7 80.996 6.004 7.476 1.00 0.00 C ATOM 119 CD LYS A 7 80.299 5.145 8.533 1.00 0.00 C ATOM 120 CE LYS A 7 78.783 5.345 8.490 1.00 0.00 C ATOM 121 NZ LYS A 7 78.131 4.601 9.590 1.00 0.00 N ATOM 0 H LYS A 7 83.385 6.332 6.708 1.00 0.00 H new ATOM 0 HA LYS A 7 82.171 5.379 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 7 80.291 4.878 5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 7 81.813 4.305 6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 7 81.944 6.371 7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 7 80.384 6.878 7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 7 80.536 4.094 8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 7 80.675 5.403 9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 7 78.548 6.406 8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 7 78.392 5.004 7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 77.102 4.748 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 78.341 3.587 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 78.491 4.945 10.503 1.00 0.00 H new ATOM 134 N ALA A 8 80.731 7.109 3.413 1.00 0.00 N ATOM 135 CA ALA A 8 79.958 8.170 2.791 1.00 0.00 C ATOM 136 C ALA A 8 79.508 7.720 1.400 1.00 0.00 C ATOM 137 O ALA A 8 80.254 7.848 0.431 1.00 0.00 O ATOM 138 CB ALA A 8 80.793 9.452 2.747 1.00 0.00 C ATOM 0 H ALA A 8 80.867 6.283 2.830 1.00 0.00 H new ATOM 0 HA ALA A 8 79.062 8.384 3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 8 80.213 10.248 2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 8 81.062 9.746 3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 8 81.699 9.276 2.168 1.00 0.00 H new ATOM 144 N GLU A 9 78.291 7.200 1.347 1.00 0.00 N ATOM 145 CA GLU A 9 77.732 6.730 0.090 1.00 0.00 C ATOM 146 C GLU A 9 77.459 7.910 -0.844 1.00 0.00 C ATOM 147 O GLU A 9 76.349 8.438 -0.875 1.00 0.00 O ATOM 148 CB GLU A 9 76.461 5.912 0.327 1.00 0.00 C ATOM 149 CG GLU A 9 76.791 4.553 0.946 1.00 0.00 C ATOM 150 CD GLU A 9 75.805 4.206 2.064 1.00 0.00 C ATOM 151 OE1 GLU A 9 75.962 4.681 3.198 1.00 0.00 O ATOM 152 OE2 GLU A 9 74.848 3.412 1.720 1.00 0.00 O ATOM 0 H GLU A 9 77.676 7.094 2.154 1.00 0.00 H new ATOM 0 HA GLU A 9 78.462 6.076 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.788 6.462 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.936 5.768 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.760 3.782 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 9 77.806 4.567 1.343 1.00 0.00 H new ATOM 160 N LYS A 10 78.491 8.290 -1.584 1.00 0.00 N ATOM 161 CA LYS A 10 78.376 9.398 -2.516 1.00 0.00 C ATOM 162 C LYS A 10 77.361 10.408 -1.979 1.00 0.00 C ATOM 163 O LYS A 10 76.428 10.791 -2.683 1.00 0.00 O ATOM 164 CB LYS A 10 78.049 8.884 -3.920 1.00 0.00 C ATOM 165 CG LYS A 10 78.624 7.484 -4.140 1.00 0.00 C ATOM 166 CD LYS A 10 78.478 7.054 -5.601 1.00 0.00 C ATOM 167 CE LYS A 10 77.009 7.051 -6.027 1.00 0.00 C ATOM 168 NZ LYS A 10 76.887 6.726 -7.466 1.00 0.00 N ATOM 0 H LYS A 10 79.411 7.850 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 10 79.328 9.921 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 10 76.968 8.863 -4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 10 78.454 9.569 -4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 10 79.677 7.471 -3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 10 78.111 6.771 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 10 79.045 7.730 -6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 10 78.901 6.059 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 10 76.454 6.323 -5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 10 76.565 8.027 -5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 75.883 6.728 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 77.400 7.436 -8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 77.292 5.785 -7.645 1.00 0.00 H new ATOM 181 N HIS A 11 77.578 10.812 -0.736 1.00 0.00 N ATOM 182 CA HIS A 11 76.693 11.771 -0.095 1.00 0.00 C ATOM 183 C HIS A 11 75.239 11.339 -0.294 1.00 0.00 C ATOM 184 O HIS A 11 74.624 11.665 -1.308 1.00 0.00 O ATOM 185 CB HIS A 11 76.967 13.187 -0.606 1.00 0.00 C ATOM 186 CG HIS A 11 77.051 13.292 -2.110 1.00 0.00 C ATOM 187 ND1 HIS A 11 78.159 12.879 -2.829 1.00 0.00 N ATOM 188 CD2 HIS A 11 76.155 13.766 -3.022 1.00 0.00 C ATOM 189 CE1 HIS A 11 77.929 13.100 -4.115 1.00 0.00 C ATOM 190 NE2 HIS A 11 76.686 13.650 -4.232 1.00 0.00 N ATOM 0 H HIS A 11 78.354 10.493 -0.155 1.00 0.00 H new ATOM 0 HA HIS A 11 76.886 11.791 0.978 1.00 0.00 H new ATOM 0 HB2 HIS A 11 76.179 13.850 -0.249 1.00 0.00 H new ATOM 0 HB3 HIS A 11 77.902 13.543 -0.174 1.00 0.00 H new ATOM 0 HD2 HIS A 11 75.178 14.168 -2.797 1.00 0.00 H new ATOM 0 HE1 HIS A 11 78.606 12.883 -4.928 1.00 0.00 H new ATOM 0 HE2 HIS A 11 76.239 13.926 -5.106 1.00 0.00 H new ATOM 198 N VAL A 12 74.731 10.612 0.691 1.00 0.00 N ATOM 199 CA VAL A 12 73.361 10.133 0.637 1.00 0.00 C ATOM 200 C VAL A 12 73.180 9.005 1.656 1.00 0.00 C ATOM 201 O VAL A 12 74.107 8.239 1.910 1.00 0.00 O ATOM 202 CB VAL A 12 73.010 9.711 -0.791 1.00 0.00 C ATOM 203 CG1 VAL A 12 72.259 8.377 -0.799 1.00 0.00 C ATOM 204 CG2 VAL A 12 72.203 10.799 -1.501 1.00 0.00 C ATOM 0 H VAL A 12 75.244 10.343 1.531 1.00 0.00 H new ATOM 0 HA VAL A 12 72.667 10.929 0.906 1.00 0.00 H new ATOM 0 HB VAL A 12 73.942 9.574 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 12 72.021 8.100 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 12 72.884 7.605 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 12 71.336 8.475 -0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 12 71.967 10.474 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 12 71.278 10.982 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 12 72.788 11.718 -1.542 1.00 0.00 H new ATOM 214 N HIS A 13 71.978 8.941 2.211 1.00 0.00 N ATOM 215 CA HIS A 13 71.663 7.920 3.196 1.00 0.00 C ATOM 216 C HIS A 13 70.145 7.803 3.347 1.00 0.00 C ATOM 217 O HIS A 13 69.430 8.799 3.245 1.00 0.00 O ATOM 218 CB HIS A 13 72.371 8.208 4.522 1.00 0.00 C ATOM 219 CG HIS A 13 72.419 7.026 5.462 1.00 0.00 C ATOM 220 ND1 HIS A 13 71.732 6.995 6.663 1.00 0.00 N ATOM 221 CD2 HIS A 13 73.077 5.836 5.363 1.00 0.00 C ATOM 222 CE1 HIS A 13 71.974 5.834 7.253 1.00 0.00 C ATOM 223 NE2 HIS A 13 72.808 5.117 6.447 1.00 0.00 N ATOM 0 H HIS A 13 71.211 9.579 1.997 1.00 0.00 H new ATOM 0 HA HIS A 13 72.034 6.954 2.855 1.00 0.00 H new ATOM 0 HB2 HIS A 13 73.390 8.536 4.315 1.00 0.00 H new ATOM 0 HB3 HIS A 13 71.865 9.035 5.020 1.00 0.00 H new ATOM 0 HD2 HIS A 13 73.709 5.530 4.543 1.00 0.00 H new ATOM 0 HE1 HIS A 13 71.580 5.512 8.205 1.00 0.00 H new ATOM 0 HE2 HIS A 13 73.166 4.183 6.644 1.00 0.00 H new ATOM 231 N ASN A 14 69.699 6.579 3.588 1.00 0.00 N ATOM 232 CA ASN A 14 68.279 6.320 3.754 1.00 0.00 C ATOM 233 C ASN A 14 67.734 7.196 4.884 1.00 0.00 C ATOM 234 O ASN A 14 67.805 6.822 6.053 1.00 0.00 O ATOM 235 CB ASN A 14 68.026 4.857 4.126 1.00 0.00 C ATOM 236 CG ASN A 14 66.998 4.223 3.187 1.00 0.00 C ATOM 237 OD1 ASN A 14 65.800 4.272 3.413 1.00 0.00 O ATOM 238 ND2 ASN A 14 67.531 3.626 2.125 1.00 0.00 N ATOM 0 H ASN A 14 70.296 5.756 3.672 1.00 0.00 H new ATOM 0 HA ASN A 14 67.783 6.543 2.810 1.00 0.00 H new ATOM 0 HB2 ASN A 14 68.961 4.299 4.078 1.00 0.00 H new ATOM 0 HB3 ASN A 14 67.671 4.796 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 14 66.928 3.172 1.439 1.00 0.00 H new ATOM 0 HD22 ASN A 14 68.543 3.622 1.997 1.00 0.00 H new ATOM 245 N PHE A 15 67.202 8.345 4.494 1.00 0.00 N ATOM 246 CA PHE A 15 66.644 9.277 5.459 1.00 0.00 C ATOM 247 C PHE A 15 65.137 9.069 5.615 1.00 0.00 C ATOM 248 O PHE A 15 64.636 8.947 6.732 1.00 0.00 O ATOM 249 CB PHE A 15 66.900 10.686 4.920 1.00 0.00 C ATOM 250 CG PHE A 15 67.352 11.688 5.984 1.00 0.00 C ATOM 251 CD1 PHE A 15 68.425 11.405 6.771 1.00 0.00 C ATOM 252 CD2 PHE A 15 66.682 12.860 6.143 1.00 0.00 C ATOM 253 CE1 PHE A 15 68.845 12.335 7.759 1.00 0.00 C ATOM 254 CE2 PHE A 15 67.102 13.790 7.130 1.00 0.00 C ATOM 255 CZ PHE A 15 68.175 13.508 7.918 1.00 0.00 C ATOM 0 H PHE A 15 67.146 8.652 3.523 1.00 0.00 H new ATOM 0 HA PHE A 15 67.107 9.124 6.434 1.00 0.00 H new ATOM 0 HB2 PHE A 15 67.660 10.633 4.140 1.00 0.00 H new ATOM 0 HB3 PHE A 15 65.988 11.056 4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 15 68.957 10.474 6.645 1.00 0.00 H new ATOM 0 HD2 PHE A 15 65.830 13.084 5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 15 69.697 12.111 8.384 1.00 0.00 H new ATOM 0 HE2 PHE A 15 66.570 14.721 7.255 1.00 0.00 H new ATOM 0 HZ PHE A 15 68.494 14.215 8.669 1.00 0.00 H new ATOM 265 N MET A 16 64.456 9.035 4.479 1.00 0.00 N ATOM 266 CA MET A 16 63.015 8.844 4.476 1.00 0.00 C ATOM 267 C MET A 16 62.492 8.643 3.052 1.00 0.00 C ATOM 268 O MET A 16 62.401 9.597 2.280 1.00 0.00 O ATOM 269 CB MET A 16 62.337 10.064 5.102 1.00 0.00 C ATOM 270 CG MET A 16 63.032 11.358 4.675 1.00 0.00 C ATOM 271 SD MET A 16 61.941 12.748 4.922 1.00 0.00 S ATOM 272 CE MET A 16 63.122 13.982 5.441 1.00 0.00 C ATOM 0 H MET A 16 64.875 9.136 3.555 1.00 0.00 H new ATOM 0 HA MET A 16 62.784 7.951 5.057 1.00 0.00 H new ATOM 0 HB2 MET A 16 61.289 10.095 4.804 1.00 0.00 H new ATOM 0 HB3 MET A 16 62.357 9.978 6.188 1.00 0.00 H new ATOM 0 HG2 MET A 16 63.947 11.496 5.252 1.00 0.00 H new ATOM 0 HG3 MET A 16 63.323 11.295 3.626 1.00 0.00 H new ATOM 0 HE1 MET A 16 62.604 14.921 5.638 1.00 0.00 H new ATOM 0 HE2 MET A 16 63.624 13.646 6.349 1.00 0.00 H new ATOM 0 HE3 MET A 16 63.860 14.133 4.653 1.00 0.00 H new ATOM 282 N MET A 17 62.162 7.397 2.747 1.00 0.00 N ATOM 283 CA MET A 17 61.651 7.059 1.430 1.00 0.00 C ATOM 284 C MET A 17 60.246 7.631 1.224 1.00 0.00 C ATOM 285 O MET A 17 59.952 8.201 0.174 1.00 0.00 O ATOM 286 CB MET A 17 61.611 5.538 1.272 1.00 0.00 C ATOM 287 CG MET A 17 63.024 4.956 1.212 1.00 0.00 C ATOM 288 SD MET A 17 62.960 3.248 0.698 1.00 0.00 S ATOM 289 CE MET A 17 64.507 3.131 -0.185 1.00 0.00 C ATOM 0 H MET A 17 62.239 6.609 3.390 1.00 0.00 H new ATOM 0 HA MET A 17 62.314 7.493 0.681 1.00 0.00 H new ATOM 0 HB2 MET A 17 61.067 5.096 2.107 1.00 0.00 H new ATOM 0 HB3 MET A 17 61.068 5.277 0.364 1.00 0.00 H new ATOM 0 HG2 MET A 17 63.634 5.531 0.515 1.00 0.00 H new ATOM 0 HG3 MET A 17 63.499 5.032 2.190 1.00 0.00 H new ATOM 0 HE1 MET A 17 64.891 2.113 -0.114 1.00 0.00 H new ATOM 0 HE2 MET A 17 64.348 3.386 -1.233 1.00 0.00 H new ATOM 0 HE3 MET A 17 65.228 3.822 0.251 1.00 0.00 H new ATOM 299 N ASP A 18 59.417 7.459 2.242 1.00 0.00 N ATOM 300 CA ASP A 18 58.050 7.951 2.186 1.00 0.00 C ATOM 301 C ASP A 18 57.255 7.370 3.357 1.00 0.00 C ATOM 302 O ASP A 18 56.483 6.429 3.180 1.00 0.00 O ATOM 303 CB ASP A 18 57.364 7.521 0.888 1.00 0.00 C ATOM 304 CG ASP A 18 57.541 6.047 0.520 1.00 0.00 C ATOM 305 OD1 ASP A 18 58.388 5.343 1.091 1.00 0.00 O ATOM 306 OD2 ASP A 18 56.755 5.618 -0.409 1.00 0.00 O ATOM 0 H ASP A 18 59.665 6.986 3.111 1.00 0.00 H new ATOM 0 HA ASP A 18 58.080 9.039 2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 18 56.298 7.734 0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 18 57.749 8.132 0.072 1.00 0.00 H new ATOM 312 N THR A 19 57.472 7.954 4.526 1.00 0.00 N ATOM 313 CA THR A 19 56.785 7.506 5.725 1.00 0.00 C ATOM 314 C THR A 19 55.803 8.575 6.208 1.00 0.00 C ATOM 315 O THR A 19 55.893 9.038 7.344 1.00 0.00 O ATOM 316 CB THR A 19 57.843 7.138 6.767 1.00 0.00 C ATOM 317 OG1 THR A 19 58.286 8.395 7.271 1.00 0.00 O ATOM 318 CG2 THR A 19 59.096 6.527 6.137 1.00 0.00 C ATOM 0 H THR A 19 58.114 8.734 4.668 1.00 0.00 H new ATOM 0 HA THR A 19 56.181 6.620 5.527 1.00 0.00 H new ATOM 0 HB THR A 19 57.418 6.436 7.484 1.00 0.00 H new ATOM 0 HG1 THR A 19 57.591 8.780 7.845 1.00 0.00 H new ATOM 0 HG21 THR A 19 59.815 6.284 6.919 1.00 0.00 H new ATOM 0 HG22 THR A 19 58.826 5.619 5.597 1.00 0.00 H new ATOM 0 HG23 THR A 19 59.541 7.242 5.445 1.00 0.00 H new ATOM 326 N GLN A 20 54.887 8.937 5.321 1.00 0.00 N ATOM 327 CA GLN A 20 53.890 9.943 5.642 1.00 0.00 C ATOM 328 C GLN A 20 52.911 10.112 4.478 1.00 0.00 C ATOM 329 O GLN A 20 51.744 9.739 4.585 1.00 0.00 O ATOM 330 CB GLN A 20 54.550 11.276 6.001 1.00 0.00 C ATOM 331 CG GLN A 20 53.511 12.294 6.472 1.00 0.00 C ATOM 332 CD GLN A 20 53.979 13.724 6.196 1.00 0.00 C ATOM 333 OE1 GLN A 20 55.118 13.973 5.836 1.00 0.00 O ATOM 334 NE2 GLN A 20 53.040 14.647 6.385 1.00 0.00 N ATOM 0 H GLN A 20 54.815 8.551 4.380 1.00 0.00 H new ATOM 0 HA GLN A 20 53.331 9.605 6.515 1.00 0.00 H new ATOM 0 HB2 GLN A 20 55.291 11.119 6.784 1.00 0.00 H new ATOM 0 HB3 GLN A 20 55.081 11.668 5.134 1.00 0.00 H new ATOM 0 HG2 GLN A 20 52.564 12.113 5.964 1.00 0.00 H new ATOM 0 HG3 GLN A 20 53.330 12.167 7.539 1.00 0.00 H new ATOM 0 HE21 GLN A 20 52.106 14.370 6.687 1.00 0.00 H new ATOM 0 HE22 GLN A 20 53.254 15.632 6.228 1.00 0.00 H new ATOM 343 N LEU A 21 53.424 10.673 3.393 1.00 0.00 N ATOM 344 CA LEU A 21 52.610 10.896 2.210 1.00 0.00 C ATOM 345 C LEU A 21 51.910 9.591 1.825 1.00 0.00 C ATOM 346 O LEU A 21 50.686 9.550 1.710 1.00 0.00 O ATOM 347 CB LEU A 21 53.454 11.496 1.084 1.00 0.00 C ATOM 348 CG LEU A 21 54.778 10.788 0.788 1.00 0.00 C ATOM 349 CD1 LEU A 21 54.639 9.844 -0.408 1.00 0.00 C ATOM 350 CD2 LEU A 21 55.909 11.800 0.591 1.00 0.00 C ATOM 0 H LEU A 21 54.393 10.980 3.308 1.00 0.00 H new ATOM 0 HA LEU A 21 51.830 11.628 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 21 52.856 11.502 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 21 53.668 12.536 1.332 1.00 0.00 H new ATOM 0 HG LEU A 21 55.040 10.177 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 21 55.594 9.354 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 21 53.881 9.091 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 21 54.343 10.414 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 21 56.839 11.271 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 21 55.669 12.456 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 21 56.026 12.395 1.496 1.00 0.00 H new ATOM 362 N THR A 22 52.717 8.557 1.636 1.00 0.00 N ATOM 363 CA THR A 22 52.190 7.255 1.267 1.00 0.00 C ATOM 364 C THR A 22 51.022 7.409 0.291 1.00 0.00 C ATOM 365 O THR A 22 49.870 7.525 0.709 1.00 0.00 O ATOM 366 CB THR A 22 51.814 6.514 2.552 1.00 0.00 C ATOM 367 OG1 THR A 22 52.801 6.929 3.493 1.00 0.00 O ATOM 368 CG2 THR A 22 52.019 5.003 2.439 1.00 0.00 C ATOM 0 H THR A 22 53.732 8.595 1.732 1.00 0.00 H new ATOM 0 HA THR A 22 52.937 6.662 0.740 1.00 0.00 H new ATOM 0 HB THR A 22 50.772 6.721 2.798 1.00 0.00 H new ATOM 0 HG1 THR A 22 52.632 6.497 4.356 1.00 0.00 H new ATOM 0 HG21 THR A 22 51.737 4.526 3.378 1.00 0.00 H new ATOM 0 HG22 THR A 22 51.399 4.611 1.633 1.00 0.00 H new ATOM 0 HG23 THR A 22 53.067 4.793 2.226 1.00 0.00 H new ATOM 376 N LYS A 23 51.358 7.405 -0.990 1.00 0.00 N ATOM 377 CA LYS A 23 50.351 7.544 -2.029 1.00 0.00 C ATOM 378 C LYS A 23 49.294 8.553 -1.577 1.00 0.00 C ATOM 379 O LYS A 23 49.627 9.602 -1.028 1.00 0.00 O ATOM 380 CB LYS A 23 49.776 6.176 -2.403 1.00 0.00 C ATOM 381 CG LYS A 23 49.233 6.183 -3.833 1.00 0.00 C ATOM 382 CD LYS A 23 50.373 6.170 -4.853 1.00 0.00 C ATOM 383 CE LYS A 23 49.865 5.770 -6.239 1.00 0.00 C ATOM 384 NZ LYS A 23 50.811 6.214 -7.287 1.00 0.00 N ATOM 0 H LYS A 23 52.314 7.308 -1.333 1.00 0.00 H new ATOM 0 HA LYS A 23 50.797 7.937 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 23 50.549 5.414 -2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 23 48.979 5.910 -1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 23 48.593 5.314 -3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 23 48.613 7.067 -3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 23 50.833 7.157 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 23 51.146 5.473 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 23 49.740 4.688 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 23 48.885 6.213 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 50.450 5.934 -8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 50.910 7.249 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 51.739 5.772 -7.127 1.00 0.00 H new ATOM 397 N ARG A 24 48.041 8.201 -1.826 1.00 0.00 N ATOM 398 CA ARG A 24 46.933 9.063 -1.451 1.00 0.00 C ATOM 399 C ARG A 24 45.697 8.224 -1.119 1.00 0.00 C ATOM 400 O ARG A 24 45.815 7.126 -0.578 1.00 0.00 O ATOM 401 CB ARG A 24 46.590 10.040 -2.578 1.00 0.00 C ATOM 402 CG ARG A 24 45.880 9.323 -3.728 1.00 0.00 C ATOM 403 CD ARG A 24 46.617 9.543 -5.050 1.00 0.00 C ATOM 404 NE ARG A 24 45.644 9.674 -6.157 1.00 0.00 N ATOM 405 CZ ARG A 24 44.984 10.814 -6.454 1.00 0.00 C ATOM 406 NH1 ARG A 24 45.188 11.933 -5.727 1.00 0.00 N ATOM 407 NH2 ARG A 24 44.136 10.817 -7.465 1.00 0.00 N ATOM 0 H ARG A 24 47.769 7.331 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 24 47.237 9.632 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 24 45.953 10.836 -2.193 1.00 0.00 H new ATOM 0 HB3 ARG A 24 47.502 10.511 -2.946 1.00 0.00 H new ATOM 0 HG2 ARG A 24 45.820 8.256 -3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 24 44.857 9.689 -3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 24 47.232 10.441 -4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 24 47.290 8.708 -5.244 1.00 0.00 H new ATOM 0 HE ARG A 24 45.460 8.852 -6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 24 45.845 11.922 -4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 24 44.685 12.790 -5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 24 43.987 9.967 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 24 43.629 11.670 -7.703 1.00 0.00 H new ATOM 420 N VAL A 25 44.540 8.774 -1.458 1.00 0.00 N ATOM 421 CA VAL A 25 43.284 8.091 -1.202 1.00 0.00 C ATOM 422 C VAL A 25 43.284 7.551 0.229 1.00 0.00 C ATOM 423 O VAL A 25 43.059 6.361 0.448 1.00 0.00 O ATOM 424 CB VAL A 25 43.058 7.001 -2.252 1.00 0.00 C ATOM 425 CG1 VAL A 25 41.886 6.098 -1.862 1.00 0.00 C ATOM 426 CG2 VAL A 25 42.842 7.612 -3.638 1.00 0.00 C ATOM 0 H VAL A 25 44.446 9.685 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 25 42.448 8.785 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 25 43.956 6.384 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 25 41.747 5.332 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 25 42.096 5.622 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 25 40.978 6.696 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 25 42.684 6.816 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 25 41.968 8.263 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 25 43.720 8.193 -3.921 1.00 0.00 H new ATOM 436 N LYS A 26 43.539 8.451 1.167 1.00 0.00 N ATOM 437 CA LYS A 26 43.571 8.079 2.572 1.00 0.00 C ATOM 438 C LYS A 26 44.422 6.820 2.742 1.00 0.00 C ATOM 439 O LYS A 26 44.246 6.073 3.704 1.00 0.00 O ATOM 440 CB LYS A 26 42.150 7.941 3.122 1.00 0.00 C ATOM 441 CG LYS A 26 41.230 9.016 2.541 1.00 0.00 C ATOM 442 CD LYS A 26 40.840 8.682 1.099 1.00 0.00 C ATOM 443 CE LYS A 26 39.382 9.056 0.824 1.00 0.00 C ATOM 444 NZ LYS A 26 39.303 10.358 0.126 1.00 0.00 N ATOM 0 H LYS A 26 43.725 9.437 0.982 1.00 0.00 H new ATOM 0 HA LYS A 26 44.042 8.864 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 26 41.758 6.953 2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.168 8.021 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 26 40.333 9.102 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 26 41.731 9.984 2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 26 41.493 9.217 0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 26 40.987 7.617 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 26 38.910 8.283 0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 26 38.830 9.106 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 38.307 10.596 -0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 39.735 11.096 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 39.812 10.298 -0.779 1.00 0.00 H new ATOM 457 N ASN A 27 45.326 6.622 1.794 1.00 0.00 N ATOM 458 CA ASN A 27 46.205 5.466 1.827 1.00 0.00 C ATOM 459 C ASN A 27 45.364 4.196 1.974 1.00 0.00 C ATOM 460 O ASN A 27 45.161 3.707 3.084 1.00 0.00 O ATOM 461 CB ASN A 27 47.165 5.537 3.017 1.00 0.00 C ATOM 462 CG ASN A 27 47.838 4.185 3.260 1.00 0.00 C ATOM 463 OD1 ASN A 27 48.317 3.528 2.351 1.00 0.00 O ATOM 464 ND2 ASN A 27 47.846 3.807 4.536 1.00 0.00 N ATOM 0 H ASN A 27 45.469 7.243 0.998 1.00 0.00 H new ATOM 0 HA ASN A 27 46.779 5.453 0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 27 47.924 6.297 2.832 1.00 0.00 H new ATOM 0 HB3 ASN A 27 46.620 5.842 3.911 1.00 0.00 H new ATOM 0 HD21 ASN A 27 48.271 2.919 4.802 1.00 0.00 H new ATOM 0 HD22 ASN A 27 47.427 4.405 5.248 1.00 0.00 H new ATOM 471 N ALA A 28 44.899 3.698 0.838 1.00 0.00 N ATOM 472 CA ALA A 28 44.085 2.495 0.826 1.00 0.00 C ATOM 473 C ALA A 28 42.628 2.866 1.111 1.00 0.00 C ATOM 474 O ALA A 28 41.745 2.012 1.064 1.00 0.00 O ATOM 475 CB ALA A 28 44.640 1.492 1.840 1.00 0.00 C ATOM 0 H ALA A 28 45.071 4.106 -0.081 1.00 0.00 H new ATOM 0 HA ALA A 28 44.118 2.020 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 28 44.029 0.589 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.667 1.238 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.620 1.933 2.836 1.00 0.00 H new ATOM 481 N ALA A 29 42.423 4.143 1.400 1.00 0.00 N ATOM 482 CA ALA A 29 41.088 4.638 1.693 1.00 0.00 C ATOM 483 C ALA A 29 40.782 4.419 3.176 1.00 0.00 C ATOM 484 O ALA A 29 39.638 4.158 3.545 1.00 0.00 O ATOM 485 CB ALA A 29 40.075 3.946 0.780 1.00 0.00 C ATOM 0 H ALA A 29 43.158 4.849 1.438 1.00 0.00 H new ATOM 0 HA ALA A 29 41.024 5.708 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 29 39.074 4.317 1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 29 40.320 4.157 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 29 40.108 2.870 0.950 1.00 0.00 H new ATOM 491 N ALA A 30 41.824 4.535 3.986 1.00 0.00 N ATOM 492 CA ALA A 30 41.680 4.353 5.420 1.00 0.00 C ATOM 493 C ALA A 30 40.437 5.103 5.903 1.00 0.00 C ATOM 494 O ALA A 30 40.469 6.321 6.071 1.00 0.00 O ATOM 495 CB ALA A 30 42.955 4.822 6.125 1.00 0.00 C ATOM 0 H ALA A 30 42.771 4.753 3.676 1.00 0.00 H new ATOM 0 HA ALA A 30 41.543 3.299 5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 30 42.847 4.685 7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 30 43.804 4.238 5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 30 43.124 5.877 5.908 1.00 0.00 H new ATOM 501 N ASN A 31 39.372 4.344 6.114 1.00 0.00 N ATOM 502 CA ASN A 31 38.121 4.922 6.574 1.00 0.00 C ATOM 503 C ASN A 31 37.772 6.131 5.704 1.00 0.00 C ATOM 504 O ASN A 31 37.041 7.021 6.136 1.00 0.00 O ATOM 505 CB ASN A 31 38.235 5.400 8.023 1.00 0.00 C ATOM 506 CG ASN A 31 38.108 4.228 8.999 1.00 0.00 C ATOM 507 OD1 ASN A 31 38.430 3.092 8.691 1.00 0.00 O ATOM 508 ND2 ASN A 31 37.621 4.566 10.189 1.00 0.00 N ATOM 0 H ASN A 31 39.350 3.334 5.975 1.00 0.00 H new ATOM 0 HA ASN A 31 37.350 4.154 6.507 1.00 0.00 H new ATOM 0 HB2 ASN A 31 39.193 5.899 8.171 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.457 6.136 8.229 1.00 0.00 H new ATOM 0 HD21 ASN A 31 37.497 3.855 10.910 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.371 5.536 10.381 1.00 0.00 H new ATOM 515 N VAL A 32 38.310 6.124 4.494 1.00 0.00 N ATOM 516 CA VAL A 32 38.065 7.209 3.559 1.00 0.00 C ATOM 517 C VAL A 32 38.050 8.537 4.318 1.00 0.00 C ATOM 518 O VAL A 32 37.345 9.468 3.933 1.00 0.00 O ATOM 519 CB VAL A 32 36.772 6.949 2.783 1.00 0.00 C ATOM 520 CG1 VAL A 32 36.515 5.448 2.633 1.00 0.00 C ATOM 521 CG2 VAL A 32 35.583 7.644 3.450 1.00 0.00 C ATOM 0 H VAL A 32 38.915 5.384 4.139 1.00 0.00 H new ATOM 0 HA VAL A 32 38.865 7.265 2.821 1.00 0.00 H new ATOM 0 HB VAL A 32 36.890 7.371 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 32 35.590 5.291 2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 32 37.344 4.989 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 32 36.428 4.993 3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 32 34.677 7.443 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.463 7.266 4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 32 35.761 8.719 3.482 1.00 0.00 H new ATOM 531 N LEU A 33 38.836 8.581 5.384 1.00 0.00 N ATOM 532 CA LEU A 33 38.922 9.780 6.200 1.00 0.00 C ATOM 533 C LEU A 33 37.521 10.367 6.386 1.00 0.00 C ATOM 534 O LEU A 33 37.238 11.467 5.914 1.00 0.00 O ATOM 535 CB LEU A 33 39.928 10.765 5.602 1.00 0.00 C ATOM 536 CG LEU A 33 41.292 10.834 6.291 1.00 0.00 C ATOM 537 CD1 LEU A 33 42.365 11.352 5.332 1.00 0.00 C ATOM 538 CD2 LEU A 33 41.218 11.666 7.572 1.00 0.00 C ATOM 0 H LEU A 33 39.419 7.806 5.701 1.00 0.00 H new ATOM 0 HA LEU A 33 39.301 9.538 7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 33 40.085 10.503 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 33 39.485 11.761 5.618 1.00 0.00 H new ATOM 0 HG LEU A 33 41.580 9.823 6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 33 43.325 11.391 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 33 42.440 10.683 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 33 42.096 12.351 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 33 42.201 11.699 8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 33 40.898 12.679 7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 33 40.503 11.214 8.259 1.00 0.00 H new ATOM 550 N ARG A 34 36.682 9.607 7.074 1.00 0.00 N ATOM 551 CA ARG A 34 35.318 10.038 7.328 1.00 0.00 C ATOM 552 C ARG A 34 34.485 8.874 7.867 1.00 0.00 C ATOM 553 O ARG A 34 33.557 9.079 8.648 1.00 0.00 O ATOM 554 CB ARG A 34 34.665 10.577 6.054 1.00 0.00 C ATOM 555 CG ARG A 34 34.401 12.080 6.166 1.00 0.00 C ATOM 556 CD ARG A 34 33.880 12.645 4.843 1.00 0.00 C ATOM 557 NE ARG A 34 34.965 13.361 4.136 1.00 0.00 N ATOM 558 CZ ARG A 34 34.803 14.018 2.967 1.00 0.00 C ATOM 559 NH1 ARG A 34 33.596 14.055 2.364 1.00 0.00 N ATOM 560 NH2 ARG A 34 35.843 14.623 2.424 1.00 0.00 N ATOM 0 H ARG A 34 36.921 8.695 7.464 1.00 0.00 H new ATOM 0 HA ARG A 34 35.355 10.836 8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 34 35.312 10.381 5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 34 33.727 10.052 5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 34 33.675 12.267 6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 34 35.320 12.594 6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 34 33.499 11.837 4.218 1.00 0.00 H new ATOM 0 HD3 ARG A 34 33.047 13.323 5.030 1.00 0.00 H new ATOM 0 HE ARG A 34 35.894 13.358 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 34 32.798 13.585 2.791 1.00 0.00 H new ATOM 0 HH12 ARG A 34 33.482 14.553 1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 34 36.751 14.590 2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 34 35.738 15.124 1.542 1.00 0.00 H new ATOM 573 N GLU A 35 34.846 7.676 7.429 1.00 0.00 N ATOM 574 CA GLU A 35 34.144 6.479 7.857 1.00 0.00 C ATOM 575 C GLU A 35 32.632 6.717 7.844 1.00 0.00 C ATOM 576 O GLU A 35 31.989 6.706 8.892 1.00 0.00 O ATOM 577 CB GLU A 35 34.616 6.033 9.243 1.00 0.00 C ATOM 578 CG GLU A 35 34.505 7.175 10.254 1.00 0.00 C ATOM 579 CD GLU A 35 34.846 6.693 11.666 1.00 0.00 C ATOM 580 OE1 GLU A 35 35.576 5.704 11.823 1.00 0.00 O ATOM 581 OE2 GLU A 35 34.322 7.386 12.620 1.00 0.00 O ATOM 0 H GLU A 35 35.616 7.510 6.782 1.00 0.00 H new ATOM 0 HA GLU A 35 34.372 5.677 7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 35 34.018 5.186 9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 35 35.650 5.692 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 35 35.178 7.984 9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 35 33.494 7.582 10.239 1.00 0.00 H new ATOM 589 N THR A 36 32.109 6.926 6.644 1.00 0.00 N ATOM 590 CA THR A 36 30.686 7.166 6.480 1.00 0.00 C ATOM 591 C THR A 36 30.032 6.004 5.730 1.00 0.00 C ATOM 592 O THR A 36 28.828 6.021 5.480 1.00 0.00 O ATOM 593 CB THR A 36 30.511 8.516 5.781 1.00 0.00 C ATOM 594 OG1 THR A 36 29.312 9.045 6.341 1.00 0.00 O ATOM 595 CG2 THR A 36 30.193 8.367 4.292 1.00 0.00 C ATOM 0 H THR A 36 32.646 6.934 5.777 1.00 0.00 H new ATOM 0 HA THR A 36 30.180 7.215 7.444 1.00 0.00 H new ATOM 0 HB THR A 36 31.419 9.107 5.901 1.00 0.00 H new ATOM 0 HG1 THR A 36 29.124 9.921 5.944 1.00 0.00 H new ATOM 0 HG21 THR A 36 30.079 9.354 3.844 1.00 0.00 H new ATOM 0 HG22 THR A 36 31.006 7.836 3.798 1.00 0.00 H new ATOM 0 HG23 THR A 36 29.267 7.805 4.172 1.00 0.00 H new ATOM 603 N TRP A 37 30.855 5.022 5.392 1.00 0.00 N ATOM 604 CA TRP A 37 30.372 3.854 4.676 1.00 0.00 C ATOM 605 C TRP A 37 29.604 2.976 5.666 1.00 0.00 C ATOM 606 O TRP A 37 29.098 1.917 5.299 1.00 0.00 O ATOM 607 CB TRP A 37 31.523 3.116 3.990 1.00 0.00 C ATOM 608 CG TRP A 37 32.868 3.259 4.707 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.879 4.086 4.406 1.00 0.00 C ATOM 610 CD2 TRP A 37 33.309 2.517 5.863 1.00 0.00 C ATOM 611 NE1 TRP A 37 34.935 3.931 5.280 1.00 0.00 N ATOM 612 CE2 TRP A 37 34.578 2.947 6.194 1.00 0.00 C ATOM 613 CE3 TRP A 37 32.658 1.516 6.604 1.00 0.00 C ATOM 614 CZ2 TRP A 37 35.304 2.431 7.274 1.00 0.00 C ATOM 615 CZ3 TRP A 37 33.397 1.010 7.680 1.00 0.00 C ATOM 616 CH2 TRP A 37 34.675 1.432 8.027 1.00 0.00 C ATOM 0 H TRP A 37 31.853 5.012 5.601 1.00 0.00 H new ATOM 0 HA TRP A 37 29.695 4.147 3.873 1.00 0.00 H new ATOM 0 HB2 TRP A 37 31.271 2.058 3.918 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.624 3.489 2.971 1.00 0.00 H new ATOM 0 HD1 TRP A 37 33.868 4.785 3.583 1.00 0.00 H new ATOM 0 HE1 TRP A 37 35.816 4.444 5.259 1.00 0.00 H new ATOM 0 HE3 TRP A 37 31.666 1.165 6.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 36.296 2.784 7.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 32.942 0.238 8.283 1.00 0.00 H new ATOM 0 HH2 TRP A 37 35.181 0.991 8.874 1.00 0.00 H new ATOM 627 N LEU A 38 29.541 3.450 6.902 1.00 0.00 N ATOM 628 CA LEU A 38 28.843 2.721 7.947 1.00 0.00 C ATOM 629 C LEU A 38 27.343 3.001 7.844 1.00 0.00 C ATOM 630 O LEU A 38 26.524 2.136 8.151 1.00 0.00 O ATOM 631 CB LEU A 38 29.438 3.050 9.318 1.00 0.00 C ATOM 632 CG LEU A 38 30.851 2.526 9.580 1.00 0.00 C ATOM 633 CD1 LEU A 38 30.941 1.026 9.293 1.00 0.00 C ATOM 634 CD2 LEU A 38 31.888 3.325 8.787 1.00 0.00 C ATOM 0 H LEU A 38 29.962 4.329 7.203 1.00 0.00 H new ATOM 0 HA LEU A 38 28.976 1.647 7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 38 29.446 4.133 9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 38 28.775 2.649 10.085 1.00 0.00 H new ATOM 0 HG LEU A 38 31.077 2.666 10.637 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.956 0.679 9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.244 0.490 9.937 1.00 0.00 H new ATOM 0 HD13 LEU A 38 30.687 0.839 8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.884 2.932 8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 38 31.676 3.240 7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 38 31.844 4.373 9.083 1.00 0.00 H new ATOM 646 N ILE A 39 27.028 4.213 7.412 1.00 0.00 N ATOM 647 CA ILE A 39 25.640 4.618 7.264 1.00 0.00 C ATOM 648 C ILE A 39 25.248 4.551 5.787 1.00 0.00 C ATOM 649 O ILE A 39 24.276 3.889 5.429 1.00 0.00 O ATOM 650 CB ILE A 39 25.413 5.992 7.899 1.00 0.00 C ATOM 651 CG1 ILE A 39 26.691 6.832 7.860 1.00 0.00 C ATOM 652 CG2 ILE A 39 24.860 5.854 9.319 1.00 0.00 C ATOM 653 CD1 ILE A 39 26.437 8.241 8.401 1.00 0.00 C ATOM 0 H ILE A 39 27.710 4.928 7.160 1.00 0.00 H new ATOM 0 HA ILE A 39 24.984 3.932 7.799 1.00 0.00 H new ATOM 0 HB ILE A 39 24.663 6.521 7.311 1.00 0.00 H new ATOM 0 HG12 ILE A 39 27.468 6.346 8.450 1.00 0.00 H new ATOM 0 HG13 ILE A 39 27.060 6.893 6.836 1.00 0.00 H new ATOM 0 HG21 ILE A 39 24.708 6.844 9.748 1.00 0.00 H new ATOM 0 HG22 ILE A 39 23.910 5.321 9.289 1.00 0.00 H new ATOM 0 HG23 ILE A 39 25.568 5.298 9.933 1.00 0.00 H new ATOM 0 HD11 ILE A 39 27.361 8.818 8.362 1.00 0.00 H new ATOM 0 HD12 ILE A 39 25.677 8.732 7.794 1.00 0.00 H new ATOM 0 HD13 ILE A 39 26.092 8.178 9.433 1.00 0.00 H new ATOM 665 N TYR A 40 26.025 5.246 4.969 1.00 0.00 N ATOM 666 CA TYR A 40 25.771 5.274 3.539 1.00 0.00 C ATOM 667 C TYR A 40 24.269 5.234 3.248 1.00 0.00 C ATOM 668 O TYR A 40 23.819 4.479 2.388 1.00 0.00 O ATOM 669 CB TYR A 40 26.421 4.011 2.970 1.00 0.00 C ATOM 670 CG TYR A 40 25.894 2.711 3.582 1.00 0.00 C ATOM 671 CD1 TYR A 40 26.375 2.277 4.800 1.00 0.00 C ATOM 672 CD2 TYR A 40 24.939 1.972 2.914 1.00 0.00 C ATOM 673 CE1 TYR A 40 25.879 1.053 5.375 1.00 0.00 C ATOM 674 CE2 TYR A 40 24.443 0.748 3.489 1.00 0.00 C ATOM 675 CZ TYR A 40 24.938 0.349 4.691 1.00 0.00 C ATOM 676 OH TYR A 40 24.470 -0.806 5.234 1.00 0.00 O ATOM 0 H TYR A 40 26.831 5.794 5.270 1.00 0.00 H new ATOM 0 HA TYR A 40 26.171 6.186 3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 40 26.259 3.985 1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 40 27.498 4.065 3.129 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.123 2.855 5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 40 24.563 2.311 1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 40 26.246 0.702 6.328 1.00 0.00 H new ATOM 0 HE2 TYR A 40 23.695 0.161 2.977 1.00 0.00 H new ATOM 0 HH TYR A 40 23.802 -1.201 4.636 1.00 0.00 H new ATOM 686 N LYS A 41 23.535 6.059 3.981 1.00 0.00 N ATOM 687 CA LYS A 41 22.093 6.128 3.813 1.00 0.00 C ATOM 688 C LYS A 41 21.596 7.499 4.275 1.00 0.00 C ATOM 689 O LYS A 41 20.774 7.590 5.186 1.00 0.00 O ATOM 690 CB LYS A 41 21.414 4.955 4.523 1.00 0.00 C ATOM 691 CG LYS A 41 21.356 5.189 6.034 1.00 0.00 C ATOM 692 CD LYS A 41 21.878 3.971 6.798 1.00 0.00 C ATOM 693 CE LYS A 41 20.935 3.595 7.942 1.00 0.00 C ATOM 694 NZ LYS A 41 21.677 3.513 9.220 1.00 0.00 N ATOM 0 H LYS A 41 23.912 6.685 4.692 1.00 0.00 H new ATOM 0 HA LYS A 41 21.826 6.030 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.405 4.824 4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.959 4.034 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.949 6.066 6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.329 5.398 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 41 21.983 3.127 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 41 22.870 4.185 7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.139 4.336 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.459 2.638 7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.071 3.080 9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.530 2.933 9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.952 4.469 9.524 1.00 0.00 H new ATOM 707 N ASN A 42 22.114 8.531 3.625 1.00 0.00 N ATOM 708 CA ASN A 42 21.732 9.893 3.958 1.00 0.00 C ATOM 709 C ASN A 42 20.319 10.163 3.438 1.00 0.00 C ATOM 710 O ASN A 42 19.446 10.587 4.194 1.00 0.00 O ATOM 711 CB ASN A 42 22.677 10.904 3.307 1.00 0.00 C ATOM 712 CG ASN A 42 23.852 11.232 4.231 1.00 0.00 C ATOM 713 OD1 ASN A 42 24.479 10.362 4.814 1.00 0.00 O ATOM 714 ND2 ASN A 42 24.113 12.532 4.333 1.00 0.00 N ATOM 0 H ASN A 42 22.795 8.451 2.870 1.00 0.00 H new ATOM 0 HA ASN A 42 21.779 10.002 5.042 1.00 0.00 H new ATOM 0 HB2 ASN A 42 23.052 10.503 2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 42 22.131 11.817 3.070 1.00 0.00 H new ATOM 0 HD21 ASN A 42 24.877 12.854 4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 42 23.549 13.207 3.817 1.00 0.00 H new ATOM 721 N THR A 43 20.137 9.907 2.151 1.00 0.00 N ATOM 722 CA THR A 43 18.845 10.117 1.521 1.00 0.00 C ATOM 723 C THR A 43 17.795 9.189 2.135 1.00 0.00 C ATOM 724 O THR A 43 18.067 8.015 2.382 1.00 0.00 O ATOM 725 CB THR A 43 19.017 9.926 0.013 1.00 0.00 C ATOM 726 OG1 THR A 43 19.593 8.628 -0.109 1.00 0.00 O ATOM 727 CG2 THR A 43 20.075 10.860 -0.578 1.00 0.00 C ATOM 0 H THR A 43 20.863 9.556 1.527 1.00 0.00 H new ATOM 0 HA THR A 43 18.480 11.129 1.695 1.00 0.00 H new ATOM 0 HB THR A 43 18.063 10.096 -0.486 1.00 0.00 H new ATOM 0 HG1 THR A 43 19.737 8.422 -1.056 1.00 0.00 H new ATOM 0 HG21 THR A 43 20.158 10.684 -1.650 1.00 0.00 H new ATOM 0 HG22 THR A 43 19.785 11.896 -0.402 1.00 0.00 H new ATOM 0 HG23 THR A 43 21.037 10.667 -0.103 1.00 0.00 H new ATOM 735 N LYS A 44 16.617 9.750 2.364 1.00 0.00 N ATOM 736 CA LYS A 44 15.525 8.987 2.944 1.00 0.00 C ATOM 737 C LYS A 44 14.555 8.569 1.837 1.00 0.00 C ATOM 738 O LYS A 44 13.400 8.991 1.826 1.00 0.00 O ATOM 739 CB LYS A 44 14.862 9.776 4.075 1.00 0.00 C ATOM 740 CG LYS A 44 15.642 9.619 5.383 1.00 0.00 C ATOM 741 CD LYS A 44 14.697 9.603 6.586 1.00 0.00 C ATOM 742 CE LYS A 44 15.406 10.102 7.847 1.00 0.00 C ATOM 743 NZ LYS A 44 15.113 9.213 8.992 1.00 0.00 N ATOM 0 H LYS A 44 16.395 10.724 2.158 1.00 0.00 H new ATOM 0 HA LYS A 44 15.901 8.072 3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.807 10.830 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.838 9.429 4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.220 8.695 5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.354 10.438 5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.830 10.230 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.327 8.591 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.482 10.141 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.083 11.118 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.602 9.566 9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.088 9.197 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.443 8.250 8.778 1.00 0.00 H new ATOM 756 N LEU A 45 15.062 7.744 0.931 1.00 0.00 N ATOM 757 CA LEU A 45 14.255 7.264 -0.178 1.00 0.00 C ATOM 758 C LEU A 45 13.374 6.109 0.301 1.00 0.00 C ATOM 759 O LEU A 45 13.497 4.987 -0.186 1.00 0.00 O ATOM 760 CB LEU A 45 15.144 6.907 -1.371 1.00 0.00 C ATOM 761 CG LEU A 45 16.198 5.827 -1.122 1.00 0.00 C ATOM 762 CD1 LEU A 45 16.132 4.737 -2.194 1.00 0.00 C ATOM 763 CD2 LEU A 45 17.596 6.439 -1.013 1.00 0.00 C ATOM 0 H LEU A 45 16.021 7.396 0.943 1.00 0.00 H new ATOM 0 HA LEU A 45 13.587 8.049 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.504 6.580 -2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.652 7.812 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 45 15.979 5.352 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.892 3.982 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.146 4.272 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 45 16.311 5.179 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.326 5.649 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.840 6.957 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 45 17.620 7.147 -0.185 1.00 0.00 H new ATOM 775 N VAL A 46 12.504 6.424 1.249 1.00 0.00 N ATOM 776 CA VAL A 46 11.602 5.426 1.799 1.00 0.00 C ATOM 777 C VAL A 46 10.584 6.113 2.712 1.00 0.00 C ATOM 778 O VAL A 46 10.960 6.857 3.617 1.00 0.00 O ATOM 779 CB VAL A 46 12.402 4.333 2.510 1.00 0.00 C ATOM 780 CG1 VAL A 46 13.206 4.913 3.676 1.00 0.00 C ATOM 781 CG2 VAL A 46 11.485 3.204 2.984 1.00 0.00 C ATOM 0 H VAL A 46 12.404 7.356 1.650 1.00 0.00 H new ATOM 0 HA VAL A 46 11.044 4.935 1.002 1.00 0.00 H new ATOM 0 HB VAL A 46 13.107 3.913 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.766 4.115 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 46 13.899 5.666 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.526 5.372 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.078 2.440 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.745 3.603 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.977 2.763 2.126 1.00 0.00 H new ATOM 791 N LYS A 47 9.316 5.839 2.443 1.00 0.00 N ATOM 792 CA LYS A 47 8.242 6.421 3.230 1.00 0.00 C ATOM 793 C LYS A 47 7.167 5.361 3.480 1.00 0.00 C ATOM 794 O LYS A 47 7.086 4.371 2.755 1.00 0.00 O ATOM 795 CB LYS A 47 7.711 7.688 2.557 1.00 0.00 C ATOM 796 CG LYS A 47 6.925 7.348 1.289 1.00 0.00 C ATOM 797 CD LYS A 47 7.783 7.555 0.039 1.00 0.00 C ATOM 798 CE LYS A 47 7.054 8.424 -0.988 1.00 0.00 C ATOM 799 NZ LYS A 47 8.022 9.235 -1.760 1.00 0.00 N ATOM 0 H LYS A 47 9.008 5.222 1.691 1.00 0.00 H new ATOM 0 HA LYS A 47 8.612 6.737 4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.070 8.231 3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.542 8.347 2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.586 6.313 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.034 7.973 1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.727 8.026 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.026 6.589 -0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.478 7.792 -1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.344 9.078 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.511 9.819 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.553 9.851 -1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.683 8.605 -2.259 1.00 0.00 H new ATOM 812 N LYS A 48 6.369 5.605 4.509 1.00 0.00 N ATOM 813 CA LYS A 48 5.303 4.684 4.864 1.00 0.00 C ATOM 814 C LYS A 48 4.330 4.559 3.689 1.00 0.00 C ATOM 815 O LYS A 48 3.538 5.465 3.436 1.00 0.00 O ATOM 816 CB LYS A 48 4.635 5.116 6.171 1.00 0.00 C ATOM 817 CG LYS A 48 4.231 6.591 6.120 1.00 0.00 C ATOM 818 CD LYS A 48 2.709 6.741 6.073 1.00 0.00 C ATOM 819 CE LYS A 48 2.111 6.707 7.480 1.00 0.00 C ATOM 820 NZ LYS A 48 1.501 5.386 7.753 1.00 0.00 N ATOM 0 H LYS A 48 6.439 6.427 5.108 1.00 0.00 H new ATOM 0 HA LYS A 48 5.707 3.689 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.754 4.500 6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.318 4.951 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.624 7.110 6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.674 7.063 5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.448 7.680 5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.279 5.940 5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.887 6.915 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.359 7.489 7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.914 5.445 8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.909 5.104 6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.251 4.680 7.895 1.00 0.00 H new ATOM 833 N ILE A 49 4.423 3.429 3.004 1.00 0.00 N ATOM 834 CA ILE A 49 3.562 3.174 1.862 1.00 0.00 C ATOM 835 C ILE A 49 2.101 3.355 2.280 1.00 0.00 C ATOM 836 O ILE A 49 1.815 3.630 3.444 1.00 0.00 O ATOM 837 CB ILE A 49 3.864 1.800 1.260 1.00 0.00 C ATOM 838 CG1 ILE A 49 3.583 0.685 2.270 1.00 0.00 C ATOM 839 CG2 ILE A 49 5.294 1.739 0.722 1.00 0.00 C ATOM 840 CD1 ILE A 49 2.156 0.154 2.118 1.00 0.00 C ATOM 0 H ILE A 49 5.081 2.680 3.218 1.00 0.00 H new ATOM 0 HA ILE A 49 3.758 3.894 1.068 1.00 0.00 H new ATOM 0 HB ILE A 49 3.195 1.644 0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.295 -0.128 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.729 1.061 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.482 0.752 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.424 2.495 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.997 1.926 1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.983 -0.637 2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.446 0.964 2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.021 -0.244 1.112 1.00 0.00 H new ATOM 852 N ASP A 50 1.216 3.193 1.307 1.00 0.00 N ATOM 853 CA ASP A 50 -0.207 3.335 1.559 1.00 0.00 C ATOM 854 C ASP A 50 -0.846 1.948 1.653 1.00 0.00 C ATOM 855 O ASP A 50 -1.429 1.462 0.685 1.00 0.00 O ATOM 856 CB ASP A 50 -0.895 4.096 0.423 1.00 0.00 C ATOM 857 CG ASP A 50 -0.125 5.311 -0.099 1.00 0.00 C ATOM 858 OD1 ASP A 50 0.197 5.397 -1.294 1.00 0.00 O ATOM 859 OD2 ASP A 50 0.148 6.206 0.788 1.00 0.00 O ATOM 0 H ASP A 50 1.458 2.965 0.343 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.330 3.888 2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.064 3.408 -0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.875 4.426 0.768 1.00 0.00 H new ATOM 865 N HIS A 51 -0.712 1.348 2.826 1.00 0.00 N ATOM 866 CA HIS A 51 -1.269 0.026 3.059 1.00 0.00 C ATOM 867 C HIS A 51 -2.783 0.060 2.840 1.00 0.00 C ATOM 868 O HIS A 51 -3.278 -0.428 1.826 1.00 0.00 O ATOM 869 CB HIS A 51 -0.882 -0.490 4.446 1.00 0.00 C ATOM 870 CG HIS A 51 -0.703 -1.988 4.517 1.00 0.00 C ATOM 871 ND1 HIS A 51 0.304 -2.589 5.252 1.00 0.00 N ATOM 872 CD2 HIS A 51 -1.413 -2.998 3.938 1.00 0.00 C ATOM 873 CE1 HIS A 51 0.196 -3.902 5.113 1.00 0.00 C ATOM 874 NE2 HIS A 51 -0.868 -4.154 4.298 1.00 0.00 N ATOM 0 H HIS A 51 -0.226 1.753 3.626 1.00 0.00 H new ATOM 0 HA HIS A 51 -0.849 -0.680 2.342 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.046 -0.009 4.755 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.649 -0.192 5.160 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.273 -2.878 3.296 1.00 0.00 H new ATOM 0 HE1 HIS A 51 0.838 -4.643 5.566 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -1.192 -5.078 4.012 1.00 0.00 H new ATOM 882 N ALA A 52 -3.475 0.643 3.808 1.00 0.00 N ATOM 883 CA ALA A 52 -4.922 0.748 3.734 1.00 0.00 C ATOM 884 C ALA A 52 -5.379 1.996 4.491 1.00 0.00 C ATOM 885 O ALA A 52 -4.636 2.535 5.311 1.00 0.00 O ATOM 886 CB ALA A 52 -5.556 -0.532 4.284 1.00 0.00 C ATOM 0 H ALA A 52 -3.060 1.047 4.648 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.246 0.854 2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.642 -0.453 4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.223 -1.386 3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.255 -0.670 5.322 1.00 0.00 H new ATOM 892 N LYS A 53 -6.597 2.420 4.190 1.00 0.00 N ATOM 893 CA LYS A 53 -7.161 3.594 4.833 1.00 0.00 C ATOM 894 C LYS A 53 -8.683 3.577 4.673 1.00 0.00 C ATOM 895 O LYS A 53 -9.205 3.948 3.623 1.00 0.00 O ATOM 896 CB LYS A 53 -6.502 4.867 4.297 1.00 0.00 C ATOM 897 CG LYS A 53 -5.270 5.237 5.126 1.00 0.00 C ATOM 898 CD LYS A 53 -3.998 5.166 4.280 1.00 0.00 C ATOM 899 CE LYS A 53 -3.039 6.305 4.633 1.00 0.00 C ATOM 900 NZ LYS A 53 -2.693 7.085 3.425 1.00 0.00 N ATOM 0 H LYS A 53 -7.209 1.971 3.509 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.952 3.579 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.214 4.721 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.219 5.688 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.387 6.243 5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.183 4.561 5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.504 4.208 4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.257 5.219 3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.498 6.958 5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.133 5.899 5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.042 7.854 3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.235 6.462 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.558 7.488 3.013 1.00 0.00 H new ATOM 913 N VAL A 54 -9.352 3.142 5.731 1.00 0.00 N ATOM 914 CA VAL A 54 -10.803 3.071 5.721 1.00 0.00 C ATOM 915 C VAL A 54 -11.296 2.616 7.096 1.00 0.00 C ATOM 916 O VAL A 54 -11.255 1.428 7.413 1.00 0.00 O ATOM 917 CB VAL A 54 -11.275 2.160 4.586 1.00 0.00 C ATOM 918 CG1 VAL A 54 -10.642 0.772 4.697 1.00 0.00 C ATOM 919 CG2 VAL A 54 -12.802 2.067 4.557 1.00 0.00 C ATOM 0 H VAL A 54 -8.916 2.835 6.601 1.00 0.00 H new ATOM 0 HA VAL A 54 -11.232 4.055 5.530 1.00 0.00 H new ATOM 0 HB VAL A 54 -10.949 2.601 3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.994 0.145 3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.557 0.862 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.923 0.319 5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -13.111 1.414 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -13.160 1.661 5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -13.224 3.061 4.406 1.00 0.00 H new ATOM 929 N ARG A 55 -11.751 3.585 7.877 1.00 0.00 N ATOM 930 CA ARG A 55 -12.252 3.299 9.211 1.00 0.00 C ATOM 931 C ARG A 55 -13.776 3.169 9.189 1.00 0.00 C ATOM 932 O ARG A 55 -14.489 4.139 9.441 1.00 0.00 O ATOM 933 CB ARG A 55 -11.854 4.400 10.196 1.00 0.00 C ATOM 934 CG ARG A 55 -10.638 3.981 11.025 1.00 0.00 C ATOM 935 CD ARG A 55 -9.669 5.152 11.205 1.00 0.00 C ATOM 936 NE ARG A 55 -9.210 5.217 12.610 1.00 0.00 N ATOM 937 CZ ARG A 55 -8.725 6.332 13.197 1.00 0.00 C ATOM 938 NH1 ARG A 55 -8.631 7.486 12.502 1.00 0.00 N ATOM 939 NH2 ARG A 55 -8.344 6.277 14.459 1.00 0.00 N ATOM 0 H ARG A 55 -11.783 4.569 7.611 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.809 2.358 9.537 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.629 5.317 9.651 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.691 4.621 10.858 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.965 3.621 12.001 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.127 3.153 10.535 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.814 5.033 10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.159 6.086 10.930 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.263 4.366 13.170 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.927 7.520 11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.264 8.324 12.952 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.418 5.401 14.976 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.975 7.110 14.917 1.00 0.00 H new ATOM 952 N LYS A 56 -14.231 1.962 8.886 1.00 0.00 N ATOM 953 CA LYS A 56 -15.658 1.692 8.828 1.00 0.00 C ATOM 954 C LYS A 56 -16.339 2.312 10.050 1.00 0.00 C ATOM 955 O LYS A 56 -15.788 2.292 11.149 1.00 0.00 O ATOM 956 CB LYS A 56 -15.914 0.191 8.677 1.00 0.00 C ATOM 957 CG LYS A 56 -15.405 -0.318 7.327 1.00 0.00 C ATOM 958 CD LYS A 56 -16.434 -1.237 6.664 1.00 0.00 C ATOM 959 CE LYS A 56 -16.106 -1.451 5.185 1.00 0.00 C ATOM 960 NZ LYS A 56 -14.986 -2.407 5.036 1.00 0.00 N ATOM 0 H LYS A 56 -13.637 1.160 8.678 1.00 0.00 H new ATOM 0 HA LYS A 56 -16.098 2.157 7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.419 -0.349 9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.981 -0.011 8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.192 0.527 6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.468 -0.857 7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.454 -2.198 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.429 -0.803 6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.985 -1.827 4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.844 -0.499 4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.776 -2.541 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.144 -2.033 5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.250 -3.320 5.459 1.00 0.00 H new ATOM 973 N HIS A 57 -17.528 2.847 9.816 1.00 0.00 N ATOM 974 CA HIS A 57 -18.291 3.472 10.884 1.00 0.00 C ATOM 975 C HIS A 57 -19.646 3.933 10.345 1.00 0.00 C ATOM 976 O HIS A 57 -19.730 4.941 9.645 1.00 0.00 O ATOM 977 CB HIS A 57 -17.493 4.606 11.530 1.00 0.00 C ATOM 978 CG HIS A 57 -18.349 5.674 12.167 1.00 0.00 C ATOM 979 ND1 HIS A 57 -19.028 5.479 13.357 1.00 0.00 N ATOM 980 CD2 HIS A 57 -18.629 6.948 11.768 1.00 0.00 C ATOM 981 CE1 HIS A 57 -19.684 6.592 13.652 1.00 0.00 C ATOM 982 NE2 HIS A 57 -19.436 7.501 12.665 1.00 0.00 N ATOM 0 H HIS A 57 -17.982 2.861 8.903 1.00 0.00 H new ATOM 0 HA HIS A 57 -18.482 2.745 11.673 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -16.832 4.185 12.287 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -16.858 5.067 10.773 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -18.257 7.426 10.874 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -20.306 6.752 14.521 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -19.809 8.449 12.623 1.00 0.00 H new ATOM 990 N GLN A 58 -20.674 3.172 10.691 1.00 0.00 N ATOM 991 CA GLN A 58 -22.022 3.490 10.250 1.00 0.00 C ATOM 992 C GLN A 58 -23.031 3.171 11.356 1.00 0.00 C ATOM 993 O GLN A 58 -22.732 2.408 12.273 1.00 0.00 O ATOM 994 CB GLN A 58 -22.368 2.743 8.961 1.00 0.00 C ATOM 995 CG GLN A 58 -22.441 1.234 9.204 1.00 0.00 C ATOM 996 CD GLN A 58 -22.508 0.469 7.881 1.00 0.00 C ATOM 997 OE1 GLN A 58 -23.425 0.623 7.090 1.00 0.00 O ATOM 998 NE2 GLN A 58 -21.489 -0.363 7.685 1.00 0.00 N ATOM 0 H GLN A 58 -20.601 2.336 11.271 1.00 0.00 H new ATOM 0 HA GLN A 58 -22.071 4.558 10.036 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -23.323 3.099 8.575 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -21.617 2.956 8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -21.568 0.911 9.771 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -23.318 1.001 9.808 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -20.754 -0.444 8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -21.442 -0.920 6.832 1.00 0.00 H new ATOM 1007 N ARG A 59 -24.205 3.772 11.232 1.00 0.00 N ATOM 1008 CA ARG A 59 -25.260 3.562 12.209 1.00 0.00 C ATOM 1009 C ARG A 59 -26.572 3.206 11.506 1.00 0.00 C ATOM 1010 O ARG A 59 -27.356 4.089 11.165 1.00 0.00 O ATOM 1011 CB ARG A 59 -25.472 4.810 13.068 1.00 0.00 C ATOM 1012 CG ARG A 59 -24.695 4.709 14.382 1.00 0.00 C ATOM 1013 CD ARG A 59 -24.372 6.098 14.936 1.00 0.00 C ATOM 1014 NE ARG A 59 -25.610 6.752 15.416 1.00 0.00 N ATOM 1015 CZ ARG A 59 -25.632 7.784 16.287 1.00 0.00 C ATOM 1016 NH1 ARG A 59 -24.481 8.288 16.781 1.00 0.00 N ATOM 1017 NH2 ARG A 59 -26.796 8.291 16.648 1.00 0.00 N ATOM 0 H ARG A 59 -24.449 4.404 10.470 1.00 0.00 H new ATOM 0 HA ARG A 59 -24.955 2.738 12.854 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -25.150 5.694 12.518 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -26.534 4.935 13.278 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -25.279 4.149 15.112 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -23.771 4.154 14.220 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -23.655 6.015 15.752 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -23.905 6.708 14.162 1.00 0.00 H new ATOM 0 HE ARG A 59 -26.502 6.401 15.067 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -23.586 7.889 16.497 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -24.506 9.068 17.438 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -27.660 7.903 16.270 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -26.831 9.071 17.305 1.00 0.00 H new ATOM 1030 N LYS A 60 -26.769 1.910 11.311 1.00 0.00 N ATOM 1031 CA LYS A 60 -27.972 1.427 10.655 1.00 0.00 C ATOM 1032 C LYS A 60 -29.199 1.908 11.432 1.00 0.00 C ATOM 1033 O LYS A 60 -29.103 2.823 12.247 1.00 0.00 O ATOM 1034 CB LYS A 60 -27.913 -0.091 10.478 1.00 0.00 C ATOM 1035 CG LYS A 60 -26.628 -0.510 9.758 1.00 0.00 C ATOM 1036 CD LYS A 60 -26.042 -1.780 10.378 1.00 0.00 C ATOM 1037 CE LYS A 60 -24.741 -2.180 9.678 1.00 0.00 C ATOM 1038 NZ LYS A 60 -24.580 -3.652 9.688 1.00 0.00 N ATOM 0 H LYS A 60 -26.116 1.180 11.596 1.00 0.00 H new ATOM 0 HA LYS A 60 -28.049 1.839 9.649 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -27.963 -0.577 11.453 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -28.779 -0.428 9.909 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -26.837 -0.680 8.702 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -25.897 0.296 9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -25.853 -1.618 11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -26.765 -2.593 10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -24.747 -1.816 8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -23.893 -1.712 10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -23.693 -3.907 9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -24.554 -3.992 10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -25.381 -4.092 9.191 1.00 0.00 H new ATOM 1051 N PHE A 61 -30.325 1.268 11.151 1.00 0.00 N ATOM 1052 CA PHE A 61 -31.570 1.619 11.813 1.00 0.00 C ATOM 1053 C PHE A 61 -32.127 0.431 12.599 1.00 0.00 C ATOM 1054 O PHE A 61 -31.693 -0.704 12.406 1.00 0.00 O ATOM 1055 CB PHE A 61 -32.567 2.003 10.718 1.00 0.00 C ATOM 1056 CG PHE A 61 -32.637 3.506 10.440 1.00 0.00 C ATOM 1057 CD1 PHE A 61 -33.388 4.311 11.238 1.00 0.00 C ATOM 1058 CD2 PHE A 61 -31.949 4.037 9.393 1.00 0.00 C ATOM 1059 CE1 PHE A 61 -33.453 5.706 10.980 1.00 0.00 C ATOM 1060 CE2 PHE A 61 -32.014 5.432 9.135 1.00 0.00 C ATOM 1061 CZ PHE A 61 -32.765 6.237 9.934 1.00 0.00 C ATOM 0 H PHE A 61 -30.401 0.509 10.474 1.00 0.00 H new ATOM 0 HA PHE A 61 -31.400 2.437 12.514 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -32.297 1.486 9.797 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -33.558 1.650 11.003 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -33.935 3.889 12.068 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -31.354 3.398 8.758 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -34.049 6.345 11.615 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -31.467 5.854 8.305 1.00 0.00 H new ATOM 0 HZ PHE A 61 -32.815 7.298 9.738 1.00 0.00 H new ATOM 1071 N LEU A 62 -33.081 0.731 13.468 1.00 0.00 N ATOM 1072 CA LEU A 62 -33.703 -0.298 14.283 1.00 0.00 C ATOM 1073 C LEU A 62 -35.026 0.228 14.841 1.00 0.00 C ATOM 1074 O LEU A 62 -36.044 -0.462 14.791 1.00 0.00 O ATOM 1075 CB LEU A 62 -32.732 -0.786 15.361 1.00 0.00 C ATOM 1076 CG LEU A 62 -31.654 0.209 15.793 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -31.513 0.239 17.316 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -30.322 -0.090 15.100 1.00 0.00 C ATOM 0 H LEU A 62 -33.439 1.673 13.625 1.00 0.00 H new ATOM 0 HA LEU A 62 -33.938 -1.173 13.677 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -33.310 -1.070 16.241 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -32.241 -1.689 14.998 1.00 0.00 H new ATOM 0 HG LEU A 62 -31.964 1.206 15.479 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -30.740 0.955 17.596 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -32.462 0.536 17.763 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -31.237 -0.752 17.675 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -29.573 0.632 15.425 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -29.994 -1.096 15.361 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -30.450 -0.019 14.020 1.00 0.00 H new ATOM 1090 N GLN A 63 -34.970 1.446 15.360 1.00 0.00 N ATOM 1091 CA GLN A 63 -36.152 2.073 15.927 1.00 0.00 C ATOM 1092 C GLN A 63 -37.303 2.046 14.918 1.00 0.00 C ATOM 1093 O GLN A 63 -37.201 2.628 13.840 1.00 0.00 O ATOM 1094 CB GLN A 63 -35.851 3.504 16.377 1.00 0.00 C ATOM 1095 CG GLN A 63 -35.095 4.273 15.292 1.00 0.00 C ATOM 1096 CD GLN A 63 -35.467 5.757 15.311 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -35.572 6.383 16.353 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -35.659 6.282 14.105 1.00 0.00 N ATOM 0 H GLN A 63 -34.125 2.015 15.400 1.00 0.00 H new ATOM 0 HA GLN A 63 -36.453 1.506 16.808 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -36.783 4.019 16.610 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -35.260 3.484 17.293 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -34.021 4.162 15.444 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -35.324 3.849 14.314 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -35.555 5.701 13.273 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -35.911 7.266 14.011 1.00 0.00 H new ATOM 1107 N ALA A 64 -38.371 1.364 15.305 1.00 0.00 N ATOM 1108 CA ALA A 64 -39.539 1.254 14.448 1.00 0.00 C ATOM 1109 C ALA A 64 -40.793 1.130 15.316 1.00 0.00 C ATOM 1110 O ALA A 64 -41.828 0.654 14.853 1.00 0.00 O ATOM 1111 CB ALA A 64 -39.366 0.065 13.500 1.00 0.00 C ATOM 0 H ALA A 64 -38.452 0.882 16.200 1.00 0.00 H new ATOM 0 HA ALA A 64 -39.650 2.148 13.834 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -40.242 -0.018 12.857 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -38.478 0.215 12.886 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -39.255 -0.850 14.081 1.00 0.00 H new ATOM 1117 N ILE A 65 -40.658 1.568 16.559 1.00 0.00 N ATOM 1118 CA ILE A 65 -41.768 1.512 17.496 1.00 0.00 C ATOM 1119 C ILE A 65 -42.362 2.912 17.660 1.00 0.00 C ATOM 1120 O ILE A 65 -42.246 3.519 18.724 1.00 0.00 O ATOM 1121 CB ILE A 65 -41.324 0.874 18.814 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -41.197 -0.644 18.673 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -42.264 1.267 19.957 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -40.648 -1.270 19.957 1.00 0.00 C ATOM 0 H ILE A 65 -39.798 1.963 16.939 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.561 0.872 17.110 1.00 0.00 H new ATOM 0 HB ILE A 65 -40.335 1.258 19.063 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -42.172 -1.074 18.442 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -40.538 -0.881 17.838 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -41.926 0.801 20.882 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.261 2.351 20.075 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -43.275 0.930 19.729 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -40.568 -2.350 19.830 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -39.663 -0.856 20.172 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -41.322 -1.051 20.785 1.00 0.00 H new ATOM 1136 N HIS A 66 -42.986 3.384 16.591 1.00 0.00 N ATOM 1137 CA HIS A 66 -43.599 4.702 16.602 1.00 0.00 C ATOM 1138 C HIS A 66 -44.957 4.630 17.302 1.00 0.00 C ATOM 1139 O HIS A 66 -45.999 4.652 16.648 1.00 0.00 O ATOM 1140 CB HIS A 66 -43.691 5.270 15.185 1.00 0.00 C ATOM 1141 CG HIS A 66 -42.376 5.770 14.637 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -42.072 5.752 13.287 1.00 0.00 N ATOM 1143 CD2 HIS A 66 -41.291 6.303 15.269 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -40.855 6.252 13.126 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -40.373 6.592 14.356 1.00 0.00 N ATOM 0 H HIS A 66 -43.081 2.877 15.711 1.00 0.00 H new ATOM 0 HA HIS A 66 -42.974 5.393 17.168 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -44.080 4.499 14.520 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -44.410 6.089 15.179 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -41.195 6.463 16.333 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -40.336 6.370 12.186 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -39.458 7.001 14.543 1.00 0.00 H new ATOM 1153 N GLN A 67 -44.903 4.544 18.623 1.00 0.00 N ATOM 1154 CA GLN A 67 -46.116 4.468 19.419 1.00 0.00 C ATOM 1155 C GLN A 67 -47.044 3.383 18.870 1.00 0.00 C ATOM 1156 O GLN A 67 -46.709 2.707 17.899 1.00 0.00 O ATOM 1157 CB GLN A 67 -46.825 5.823 19.468 1.00 0.00 C ATOM 1158 CG GLN A 67 -45.819 6.962 19.647 1.00 0.00 C ATOM 1159 CD GLN A 67 -45.308 7.020 21.088 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -45.306 6.039 21.814 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -44.876 8.222 21.461 1.00 0.00 N ATOM 0 H GLN A 67 -44.037 4.525 19.162 1.00 0.00 H new ATOM 0 HA GLN A 67 -45.842 4.201 20.440 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -47.392 5.974 18.549 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -47.541 5.833 20.290 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -44.980 6.822 18.965 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -46.288 7.911 19.385 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -44.905 9.001 20.803 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -44.515 8.364 22.404 1.00 0.00 H new ATOM 1170 N LEU A 68 -48.193 3.249 19.516 1.00 0.00 N ATOM 1171 CA LEU A 68 -49.172 2.257 19.105 1.00 0.00 C ATOM 1172 C LEU A 68 -50.459 2.454 19.908 1.00 0.00 C ATOM 1173 O LEU A 68 -50.507 2.144 21.097 1.00 0.00 O ATOM 1174 CB LEU A 68 -48.587 0.848 19.217 1.00 0.00 C ATOM 1175 CG LEU A 68 -48.074 0.443 20.601 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -48.935 -0.670 21.201 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -46.595 0.057 20.546 1.00 0.00 C ATOM 0 H LEU A 68 -48.468 3.811 20.321 1.00 0.00 H new ATOM 0 HA LEU A 68 -49.428 2.388 18.054 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -49.351 0.133 18.911 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -47.765 0.760 18.506 1.00 0.00 H new ATOM 0 HG LEU A 68 -48.157 1.306 21.262 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -48.549 -0.939 22.184 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -49.963 -0.322 21.298 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -48.907 -1.543 20.549 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -46.256 -0.226 21.542 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -46.463 -0.784 19.865 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -46.010 0.906 20.191 1.00 0.00 H new ATOM 1189 N ARG A 69 -51.472 2.969 19.225 1.00 0.00 N ATOM 1190 CA ARG A 69 -52.756 3.211 19.860 1.00 0.00 C ATOM 1191 C ARG A 69 -53.738 3.820 18.856 1.00 0.00 C ATOM 1192 O ARG A 69 -53.339 4.247 17.774 1.00 0.00 O ATOM 1193 CB ARG A 69 -52.611 4.154 21.056 1.00 0.00 C ATOM 1194 CG ARG A 69 -52.107 5.529 20.612 1.00 0.00 C ATOM 1195 CD ARG A 69 -52.205 6.543 21.754 1.00 0.00 C ATOM 1196 NE ARG A 69 -51.165 7.584 21.596 1.00 0.00 N ATOM 1197 CZ ARG A 69 -49.842 7.361 21.749 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -49.386 6.130 22.064 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -49.001 8.366 21.585 1.00 0.00 N ATOM 0 H ARG A 69 -51.429 3.225 18.239 1.00 0.00 H new ATOM 0 HA ARG A 69 -53.137 2.252 20.212 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -53.572 4.260 21.559 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -51.918 3.725 21.780 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -51.072 5.451 20.278 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -52.691 5.877 19.760 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -53.193 7.002 21.760 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -52.083 6.037 22.712 1.00 0.00 H new ATOM 0 HE ARG A 69 -51.466 8.529 21.357 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -50.043 5.359 22.188 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -48.385 5.971 22.178 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -49.354 9.293 21.347 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -47.998 8.215 21.697 1.00 0.00 H new ATOM 1212 N SER A 70 -55.002 3.840 19.251 1.00 0.00 N ATOM 1213 CA SER A 70 -56.044 4.389 18.400 1.00 0.00 C ATOM 1214 C SER A 70 -56.338 5.836 18.800 1.00 0.00 C ATOM 1215 O SER A 70 -55.847 6.313 19.822 1.00 0.00 O ATOM 1216 CB SER A 70 -57.319 3.547 18.477 1.00 0.00 C ATOM 1217 OG SER A 70 -57.136 2.248 17.919 1.00 0.00 O ATOM 0 H SER A 70 -55.329 3.485 20.150 1.00 0.00 H new ATOM 0 HA SER A 70 -55.690 4.369 17.369 1.00 0.00 H new ATOM 0 HB2 SER A 70 -57.630 3.454 19.518 1.00 0.00 H new ATOM 0 HB3 SER A 70 -58.124 4.058 17.949 1.00 0.00 H new ATOM 0 HG SER A 70 -57.972 1.741 17.989 1.00 0.00 H new ATOM 1223 N VAL A 71 -57.138 6.494 17.973 1.00 0.00 N ATOM 1224 CA VAL A 71 -57.503 7.877 18.228 1.00 0.00 C ATOM 1225 C VAL A 71 -58.633 7.920 19.258 1.00 0.00 C ATOM 1226 O VAL A 71 -58.973 8.986 19.768 1.00 0.00 O ATOM 1227 CB VAL A 71 -57.865 8.573 16.914 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -58.450 9.963 17.174 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -56.652 8.654 15.985 1.00 0.00 C ATOM 0 H VAL A 71 -57.543 6.095 17.126 1.00 0.00 H new ATOM 0 HA VAL A 71 -56.659 8.424 18.649 1.00 0.00 H new ATOM 0 HB VAL A 71 -58.629 7.975 16.417 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -58.699 10.436 16.224 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -59.351 9.871 17.781 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -57.717 10.573 17.703 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -56.936 9.153 15.058 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -55.857 9.219 16.472 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -56.297 7.648 15.761 1.00 0.00 H new ATOM 1239 N LYS A 72 -59.184 6.747 19.534 1.00 0.00 N ATOM 1240 CA LYS A 72 -60.269 6.637 20.494 1.00 0.00 C ATOM 1241 C LYS A 72 -61.455 7.477 20.016 1.00 0.00 C ATOM 1242 O LYS A 72 -61.411 8.705 20.065 1.00 0.00 O ATOM 1243 CB LYS A 72 -59.782 7.004 21.897 1.00 0.00 C ATOM 1244 CG LYS A 72 -59.946 5.827 22.861 1.00 0.00 C ATOM 1245 CD LYS A 72 -59.656 6.253 24.301 1.00 0.00 C ATOM 1246 CE LYS A 72 -60.201 5.227 25.297 1.00 0.00 C ATOM 1247 NZ LYS A 72 -60.616 5.892 26.552 1.00 0.00 N ATOM 0 H LYS A 72 -58.899 5.864 19.109 1.00 0.00 H new ATOM 0 HA LYS A 72 -60.615 5.605 20.561 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -58.734 7.301 21.856 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -60.342 7.862 22.267 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -60.960 5.434 22.792 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -59.271 5.020 22.574 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -58.581 6.366 24.441 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -60.106 7.227 24.494 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -61.050 4.702 24.859 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -59.438 4.478 25.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -60.983 5.181 27.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -59.798 6.373 26.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -61.359 6.590 26.346 1.00 0.00 H new ATOM 1260 N MET A 73 -62.488 6.781 19.564 1.00 0.00 N ATOM 1261 CA MET A 73 -63.684 7.447 19.076 1.00 0.00 C ATOM 1262 C MET A 73 -64.732 6.429 18.623 1.00 0.00 C ATOM 1263 O MET A 73 -64.389 5.332 18.186 1.00 0.00 O ATOM 1264 CB MET A 73 -63.318 8.360 17.904 1.00 0.00 C ATOM 1265 CG MET A 73 -62.817 7.545 16.710 1.00 0.00 C ATOM 1266 SD MET A 73 -63.063 8.461 15.199 1.00 0.00 S ATOM 1267 CE MET A 73 -64.361 7.488 14.454 1.00 0.00 C ATOM 0 H MET A 73 -62.521 5.762 19.525 1.00 0.00 H new ATOM 0 HA MET A 73 -64.106 8.037 19.889 1.00 0.00 H new ATOM 0 HB2 MET A 73 -64.188 8.946 17.609 1.00 0.00 H new ATOM 0 HB3 MET A 73 -62.549 9.067 18.215 1.00 0.00 H new ATOM 0 HG2 MET A 73 -61.760 7.313 16.836 1.00 0.00 H new ATOM 0 HG3 MET A 73 -63.348 6.595 16.659 1.00 0.00 H new ATOM 0 HE1 MET A 73 -64.638 7.924 13.494 1.00 0.00 H new ATOM 0 HE2 MET A 73 -64.009 6.468 14.301 1.00 0.00 H new ATOM 0 HE3 MET A 73 -65.230 7.477 15.111 1.00 0.00 H new ATOM 1277 N GLU A 74 -65.990 6.830 18.743 1.00 0.00 N ATOM 1278 CA GLU A 74 -67.091 5.966 18.351 1.00 0.00 C ATOM 1279 C GLU A 74 -68.316 6.804 17.979 1.00 0.00 C ATOM 1280 O GLU A 74 -68.762 7.639 18.763 1.00 0.00 O ATOM 1281 CB GLU A 74 -67.426 4.967 19.460 1.00 0.00 C ATOM 1282 CG GLU A 74 -68.028 5.678 20.674 1.00 0.00 C ATOM 1283 CD GLU A 74 -67.399 5.172 21.974 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -67.929 4.242 22.599 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -66.319 5.781 22.329 1.00 0.00 O ATOM 0 H GLU A 74 -66.271 7.741 19.106 1.00 0.00 H new ATOM 0 HA GLU A 74 -66.785 5.395 17.474 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -68.128 4.223 19.084 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -66.524 4.432 19.757 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -67.872 6.753 20.585 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -69.105 5.513 20.699 1.00 0.00 H new ATOM 1293 N GLN A 75 -68.824 6.551 16.782 1.00 0.00 N ATOM 1294 CA GLN A 75 -69.989 7.271 16.296 1.00 0.00 C ATOM 1295 C GLN A 75 -71.126 7.191 17.317 1.00 0.00 C ATOM 1296 O GLN A 75 -71.038 6.447 18.293 1.00 0.00 O ATOM 1297 CB GLN A 75 -70.436 6.736 14.934 1.00 0.00 C ATOM 1298 CG GLN A 75 -71.249 5.450 15.090 1.00 0.00 C ATOM 1299 CD GLN A 75 -71.503 4.793 13.732 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -71.239 5.356 12.682 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -72.030 3.575 13.810 1.00 0.00 N ATOM 0 H GLN A 75 -68.450 5.857 16.134 1.00 0.00 H new ATOM 0 HA GLN A 75 -69.716 8.318 16.166 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -71.035 7.489 14.422 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -69.563 6.545 14.310 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -70.716 4.756 15.740 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -72.200 5.673 15.573 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -72.227 3.162 14.722 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -72.238 3.054 12.958 1.00 0.00 H new ATOM 1310 N ARG A 76 -72.168 7.967 17.056 1.00 0.00 N ATOM 1311 CA ARG A 76 -73.321 7.993 17.939 1.00 0.00 C ATOM 1312 C ARG A 76 -74.472 8.761 17.287 1.00 0.00 C ATOM 1313 O ARG A 76 -74.285 9.877 16.805 1.00 0.00 O ATOM 1314 CB ARG A 76 -72.975 8.648 19.278 1.00 0.00 C ATOM 1315 CG ARG A 76 -72.098 9.886 19.072 1.00 0.00 C ATOM 1316 CD ARG A 76 -72.249 10.864 20.239 1.00 0.00 C ATOM 1317 NE ARG A 76 -71.095 10.739 21.157 1.00 0.00 N ATOM 1318 CZ ARG A 76 -69.870 11.249 20.906 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -69.629 11.923 19.762 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -68.911 11.077 21.797 1.00 0.00 N ATOM 0 H ARG A 76 -72.237 8.582 16.245 1.00 0.00 H new ATOM 0 HA ARG A 76 -73.623 6.961 18.119 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -73.891 8.929 19.797 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -72.455 7.931 19.914 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -71.055 9.585 18.977 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -72.373 10.380 18.140 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -72.316 11.885 19.862 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -73.175 10.661 20.776 1.00 0.00 H new ATOM 0 HE ARG A 76 -71.233 10.236 22.034 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -70.375 12.051 19.078 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -68.701 12.305 19.581 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -69.101 10.566 22.659 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -67.980 11.456 21.624 1.00 0.00 H new ATOM 1333 N LYS A 77 -75.639 8.132 17.291 1.00 0.00 N ATOM 1334 CA LYS A 77 -76.820 8.741 16.705 1.00 0.00 C ATOM 1335 C LYS A 77 -77.924 8.823 17.762 1.00 0.00 C ATOM 1336 O LYS A 77 -78.131 7.879 18.523 1.00 0.00 O ATOM 1337 CB LYS A 77 -77.237 7.993 15.438 1.00 0.00 C ATOM 1338 CG LYS A 77 -78.612 8.457 14.954 1.00 0.00 C ATOM 1339 CD LYS A 77 -78.624 8.649 13.436 1.00 0.00 C ATOM 1340 CE LYS A 77 -79.014 10.082 13.068 1.00 0.00 C ATOM 1341 NZ LYS A 77 -79.926 10.088 11.903 1.00 0.00 N ATOM 0 H LYS A 77 -75.791 7.206 17.691 1.00 0.00 H new ATOM 0 HA LYS A 77 -76.604 9.761 16.388 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -76.497 8.157 14.654 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -77.260 6.921 15.635 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -79.367 7.724 15.237 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -78.877 9.394 15.445 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -77.639 8.420 13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -79.326 7.949 12.983 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -79.497 10.563 13.918 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -78.119 10.661 12.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -80.181 11.068 11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -79.452 9.647 11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -80.787 9.552 12.134 1.00 0.00 H new ATOM 1354 N LEU A 78 -78.603 9.961 17.776 1.00 0.00 N ATOM 1355 CA LEU A 78 -79.680 10.178 18.726 1.00 0.00 C ATOM 1356 C LEU A 78 -80.451 8.872 18.924 1.00 0.00 C ATOM 1357 O LEU A 78 -80.450 8.007 18.049 1.00 0.00 O ATOM 1358 CB LEU A 78 -80.558 11.350 18.282 1.00 0.00 C ATOM 1359 CG LEU A 78 -80.243 12.704 18.922 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -79.803 13.719 17.865 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -81.429 13.211 19.745 1.00 0.00 C ATOM 0 H LEU A 78 -78.428 10.742 17.144 1.00 0.00 H new ATOM 0 HA LEU A 78 -79.278 10.461 19.699 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -80.472 11.453 17.200 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -81.597 11.102 18.497 1.00 0.00 H new ATOM 0 HG LEU A 78 -79.408 12.572 19.610 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -79.585 14.673 18.345 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -78.909 13.354 17.360 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -80.602 13.854 17.136 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -81.179 14.175 20.189 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -82.299 13.325 19.098 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -81.656 12.496 20.535 1.00 0.00 H new ATOM 1373 N ASN A 79 -81.092 8.769 20.079 1.00 0.00 N ATOM 1374 CA ASN A 79 -81.866 7.583 20.403 1.00 0.00 C ATOM 1375 C ASN A 79 -82.651 7.828 21.693 1.00 0.00 C ATOM 1376 O ASN A 79 -83.808 7.426 21.806 1.00 0.00 O ATOM 1377 CB ASN A 79 -80.954 6.375 20.627 1.00 0.00 C ATOM 1378 CG ASN A 79 -80.051 6.587 21.843 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -80.285 6.067 22.921 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -79.008 7.380 21.611 1.00 0.00 N ATOM 0 H ASN A 79 -81.091 9.488 20.802 1.00 0.00 H new ATOM 0 HA ASN A 79 -82.537 7.379 19.568 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -81.559 5.480 20.771 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -80.342 6.207 19.740 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -78.346 7.584 22.360 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -78.870 7.783 20.684 1.00 0.00 H new ATOM 1387 N ASP A 80 -81.991 8.487 22.634 1.00 0.00 N ATOM 1388 CA ASP A 80 -82.613 8.790 23.912 1.00 0.00 C ATOM 1389 C ASP A 80 -83.686 9.861 23.710 1.00 0.00 C ATOM 1390 O ASP A 80 -83.376 10.996 23.350 1.00 0.00 O ATOM 1391 CB ASP A 80 -81.587 9.332 24.909 1.00 0.00 C ATOM 1392 CG ASP A 80 -81.575 8.631 26.269 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -82.538 7.944 26.642 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -80.507 8.816 26.968 1.00 0.00 O ATOM 0 H ASP A 80 -81.032 8.820 22.537 1.00 0.00 H new ATOM 0 HA ASP A 80 -83.045 7.869 24.304 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -80.594 9.251 24.466 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -81.780 10.393 25.066 1.00 0.00 H new ATOM 1400 N GLN A 81 -84.927 9.463 23.950 1.00 0.00 N ATOM 1401 CA GLN A 81 -86.048 10.375 23.799 1.00 0.00 C ATOM 1402 C GLN A 81 -86.193 10.801 22.337 1.00 0.00 C ATOM 1403 O GLN A 81 -85.296 11.431 21.779 1.00 0.00 O ATOM 1404 CB GLN A 81 -85.892 11.592 24.712 1.00 0.00 C ATOM 1405 CG GLN A 81 -86.526 11.336 26.081 1.00 0.00 C ATOM 1406 CD GLN A 81 -88.052 11.300 25.980 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -88.687 10.273 26.159 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -88.603 12.473 25.684 1.00 0.00 N ATOM 0 H GLN A 81 -85.181 8.521 24.248 1.00 0.00 H new ATOM 0 HA GLN A 81 -86.958 9.853 24.097 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -84.834 11.825 24.835 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -86.358 12.461 24.248 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -86.162 10.391 26.483 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -86.222 12.117 26.778 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -88.013 13.294 25.547 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -89.616 12.552 25.594 1.00 0.00 H new ATOM 1417 N ALA A 82 -87.329 10.441 21.758 1.00 0.00 N ATOM 1418 CA ALA A 82 -87.602 10.778 20.372 1.00 0.00 C ATOM 1419 C ALA A 82 -89.115 10.872 20.163 1.00 0.00 C ATOM 1420 O ALA A 82 -89.754 9.895 19.776 1.00 0.00 O ATOM 1421 CB ALA A 82 -86.951 9.740 19.456 1.00 0.00 C ATOM 0 H ALA A 82 -88.071 9.919 22.224 1.00 0.00 H new ATOM 0 HA ALA A 82 -87.173 11.748 20.122 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -87.156 9.993 18.416 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -85.874 9.733 19.622 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -87.359 8.753 19.676 1.00 0.00 H new ATOM 1427 N ASN A 83 -89.644 12.057 20.428 1.00 0.00 N ATOM 1428 CA ASN A 83 -91.070 12.292 20.274 1.00 0.00 C ATOM 1429 C ASN A 83 -91.844 11.234 21.063 1.00 0.00 C ATOM 1430 O ASN A 83 -91.999 10.103 20.606 1.00 0.00 O ATOM 1431 CB ASN A 83 -91.490 12.188 18.806 1.00 0.00 C ATOM 1432 CG ASN A 83 -91.607 13.574 18.170 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -92.205 14.488 18.715 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -91.004 13.680 16.989 1.00 0.00 N ATOM 0 H ASN A 83 -89.111 12.865 20.749 1.00 0.00 H new ATOM 0 HA ASN A 83 -91.289 13.295 20.641 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -90.761 11.592 18.257 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -92.446 11.669 18.733 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -91.025 14.566 16.483 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -90.521 12.876 16.589 1.00 0.00 H new ATOM 1441 N THR A 84 -92.311 11.641 22.235 1.00 0.00 N ATOM 1442 CA THR A 84 -93.066 10.742 23.092 1.00 0.00 C ATOM 1443 C THR A 84 -93.594 11.492 24.317 1.00 0.00 C ATOM 1444 O THR A 84 -93.110 11.289 25.429 1.00 0.00 O ATOM 1445 CB THR A 84 -92.164 9.558 23.446 1.00 0.00 C ATOM 1446 OG1 THR A 84 -92.979 8.739 24.280 1.00 0.00 O ATOM 1447 CG2 THR A 84 -90.996 9.961 24.347 1.00 0.00 C ATOM 0 H THR A 84 -92.181 12.580 22.611 1.00 0.00 H new ATOM 0 HA THR A 84 -93.948 10.356 22.581 1.00 0.00 H new ATOM 0 HB THR A 84 -91.778 9.109 22.531 1.00 0.00 H new ATOM 0 HG1 THR A 84 -92.473 7.946 24.555 1.00 0.00 H new ATOM 0 HG21 THR A 84 -90.388 9.084 24.568 1.00 0.00 H new ATOM 0 HG22 THR A 84 -90.386 10.708 23.839 1.00 0.00 H new ATOM 0 HG23 THR A 84 -91.381 10.379 25.277 1.00 0.00 H new ATOM 1455 N LEU A 85 -94.579 12.343 24.071 1.00 0.00 N ATOM 1456 CA LEU A 85 -95.178 13.124 25.140 1.00 0.00 C ATOM 1457 C LEU A 85 -96.590 12.604 25.416 1.00 0.00 C ATOM 1458 O LEU A 85 -97.213 12.985 26.406 1.00 0.00 O ATOM 1459 CB LEU A 85 -95.126 14.616 24.807 1.00 0.00 C ATOM 1460 CG LEU A 85 -95.710 15.022 23.452 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -96.781 16.101 23.617 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -94.605 15.454 22.486 1.00 0.00 C ATOM 0 H LEU A 85 -94.977 12.509 23.147 1.00 0.00 H new ATOM 0 HA LEU A 85 -94.609 13.007 26.062 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -95.658 15.161 25.587 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -94.086 14.940 24.844 1.00 0.00 H new ATOM 0 HG LEU A 85 -96.197 14.150 23.015 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -97.179 16.371 22.639 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -97.587 15.721 24.245 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -96.341 16.982 24.085 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -95.047 15.737 21.531 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -94.068 16.306 22.904 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -93.911 14.627 22.334 1.00 0.00 H new ATOM 1474 N VAL A 86 -97.053 11.741 24.524 1.00 0.00 N ATOM 1475 CA VAL A 86 -98.380 11.164 24.660 1.00 0.00 C ATOM 1476 C VAL A 86 -99.345 12.232 25.179 1.00 0.00 C ATOM 1477 O VAL A 86 -100.298 11.920 25.891 1.00 0.00 O ATOM 1478 CB VAL A 86 -98.323 9.924 25.554 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -98.633 10.283 27.009 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -99.271 8.836 25.044 1.00 0.00 C ATOM 0 H VAL A 86 -96.533 11.427 23.704 1.00 0.00 H new ATOM 0 HA VAL A 86 -98.753 10.832 23.691 1.00 0.00 H new ATOM 0 HB VAL A 86 -97.308 9.529 25.515 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -98.586 9.384 27.624 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -97.902 11.007 27.369 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -99.632 10.714 27.072 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -99.211 7.966 25.697 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -100.292 9.216 25.039 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -98.986 8.550 24.032 1.00 0.00 H new ATOM 1490 N ASP A 87 -99.064 13.471 24.802 1.00 0.00 N ATOM 1491 CA ASP A 87 -99.895 14.587 25.221 1.00 0.00 C ATOM 1492 C ASP A 87 -100.143 15.509 24.026 1.00 0.00 C ATOM 1493 O ASP A 87 -99.656 16.638 23.996 1.00 0.00 O ATOM 1494 CB ASP A 87 -99.207 15.406 26.315 1.00 0.00 C ATOM 1495 CG ASP A 87 -100.154 16.123 27.279 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -101.263 15.644 27.559 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -99.707 17.235 27.756 1.00 0.00 O ATOM 0 H ASP A 87 -98.273 13.726 24.211 1.00 0.00 H new ATOM 0 HA ASP A 87 -100.831 14.184 25.607 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -98.560 14.744 26.890 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -98.564 16.148 25.842 1.00 0.00 H new ATOM 1503 N LEU A 88 -100.901 14.994 23.069 1.00 0.00 N ATOM 1504 CA LEU A 88 -101.220 15.757 21.874 1.00 0.00 C ATOM 1505 C LEU A 88 -102.636 15.406 21.414 1.00 0.00 C ATOM 1506 O LEU A 88 -102.998 15.652 20.264 1.00 0.00 O ATOM 1507 CB LEU A 88 -100.153 15.540 20.799 1.00 0.00 C ATOM 1508 CG LEU A 88 -100.272 14.249 19.986 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -100.579 14.552 18.518 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -99.019 13.385 20.143 1.00 0.00 C ATOM 0 H LEU A 88 -101.304 14.057 23.097 1.00 0.00 H new ATOM 0 HA LEU A 88 -101.209 16.825 22.090 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -100.183 16.384 20.110 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -99.174 15.555 21.279 1.00 0.00 H new ATOM 0 HG LEU A 88 -101.111 13.674 20.378 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -100.658 13.618 17.963 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -101.520 15.097 18.448 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -99.777 15.158 18.096 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -99.129 12.474 19.555 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -98.148 13.940 19.793 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -98.885 13.125 21.193 1.00 0.00 H new ATOM 1522 N ALA A 89 -103.400 14.838 22.335 1.00 0.00 N ATOM 1523 CA ALA A 89 -104.769 14.452 22.038 1.00 0.00 C ATOM 1524 C ALA A 89 -105.540 14.274 23.348 1.00 0.00 C ATOM 1525 O ALA A 89 -106.468 15.030 23.634 1.00 0.00 O ATOM 1526 CB ALA A 89 -104.768 13.181 21.186 1.00 0.00 C ATOM 0 H ALA A 89 -103.097 14.636 23.288 1.00 0.00 H new ATOM 0 HA ALA A 89 -105.271 15.230 21.463 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -105.795 12.891 20.963 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -104.233 13.368 20.255 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -104.275 12.377 21.732 1.00 0.00 H new ATOM 1532 N LYS A 90 -105.127 13.271 24.109 1.00 0.00 N ATOM 1533 CA LYS A 90 -105.767 12.985 25.381 1.00 0.00 C ATOM 1534 C LYS A 90 -107.208 12.535 25.133 1.00 0.00 C ATOM 1535 O LYS A 90 -107.744 12.730 24.043 1.00 0.00 O ATOM 1536 CB LYS A 90 -105.651 14.186 26.322 1.00 0.00 C ATOM 1537 CG LYS A 90 -104.255 14.264 26.943 1.00 0.00 C ATOM 1538 CD LYS A 90 -104.184 13.449 28.235 1.00 0.00 C ATOM 1539 CE LYS A 90 -104.321 14.353 29.462 1.00 0.00 C ATOM 1540 NZ LYS A 90 -103.594 13.776 30.615 1.00 0.00 N ATOM 0 H LYS A 90 -104.357 12.647 23.869 1.00 0.00 H new ATOM 0 HA LYS A 90 -105.259 12.164 25.886 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -105.860 15.104 25.773 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -106.400 14.108 27.110 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -103.516 13.892 26.233 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -104.003 15.304 27.150 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -104.976 12.700 28.241 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -103.237 12.912 28.279 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -103.928 15.344 29.236 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -105.374 14.477 29.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -103.697 14.402 31.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -103.987 12.840 30.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -102.586 13.680 30.377 1.00 0.00 H new ATOM 1553 N THR A 91 -107.795 11.941 26.162 1.00 0.00 N ATOM 1554 CA THR A 91 -109.163 11.462 26.069 1.00 0.00 C ATOM 1555 C THR A 91 -109.412 10.821 24.702 1.00 0.00 C ATOM 1556 O THR A 91 -110.275 11.270 23.949 1.00 0.00 O ATOM 1557 CB THR A 91 -110.097 12.637 26.367 1.00 0.00 C ATOM 1558 OG1 THR A 91 -109.796 13.587 25.349 1.00 0.00 O ATOM 1559 CG2 THR A 91 -109.735 13.357 27.668 1.00 0.00 C ATOM 0 H THR A 91 -107.348 11.781 27.064 1.00 0.00 H new ATOM 0 HA THR A 91 -109.358 10.679 26.801 1.00 0.00 H new ATOM 0 HB THR A 91 -111.125 12.278 26.425 1.00 0.00 H new ATOM 0 HG1 THR A 91 -109.305 13.146 24.625 1.00 0.00 H new ATOM 0 HG21 THR A 91 -110.428 14.182 27.832 1.00 0.00 H new ATOM 0 HG22 THR A 91 -109.800 12.657 28.501 1.00 0.00 H new ATOM 0 HG23 THR A 91 -108.719 13.745 27.598 1.00 0.00 H new ATOM 1567 N GLN A 92 -108.640 9.781 24.423 1.00 0.00 N ATOM 1568 CA GLN A 92 -108.766 9.073 23.160 1.00 0.00 C ATOM 1569 C GLN A 92 -109.163 7.616 23.405 1.00 0.00 C ATOM 1570 O GLN A 92 -110.208 7.167 22.937 1.00 0.00 O ATOM 1571 CB GLN A 92 -107.469 9.159 22.352 1.00 0.00 C ATOM 1572 CG GLN A 92 -107.749 9.583 20.909 1.00 0.00 C ATOM 1573 CD GLN A 92 -107.153 8.582 19.918 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -107.832 7.721 19.381 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -105.850 8.740 19.705 1.00 0.00 N ATOM 0 H GLN A 92 -107.925 9.412 25.050 1.00 0.00 H new ATOM 0 HA GLN A 92 -109.553 9.550 22.575 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -106.792 9.873 22.820 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -106.967 8.192 22.360 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -108.825 9.660 20.751 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -107.329 10.573 20.729 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -105.341 9.481 20.187 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -105.360 8.120 19.060 1.00 0.00 H new TER 1584 GLN A 92