USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 766 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 32 GLN : amide:sc= 0.419 K(o=1.1,f=-2.4) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 58 GLN : amide:sc= 0.709 K(o=1.1,f=-1.6!) USER MOD Set 2.1: A 55 CYS SG : rot -41:sc= 1.06 USER MOD Set 2.2: A 56 GLN : amide:sc= -0.0733 X(o=0.99,f=0.99) USER MOD Set 3.1: A 43 MET CE :methyl -170:sc=-0.00715 (180deg=-0.15) USER MOD Set 3.2: A 79 THR OG1 : rot 180:sc= 0.601 USER MOD Single : A 4 MET CE :methyl -177:sc= 0 (180deg=-0.00702) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.173 USER MOD Single : A 13 THR OG1 : rot -74:sc= 1.04 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0.623 (180deg=0.597) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0.743 (180deg=0.726) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 69:sc= 0.433 USER MOD Single : A 38 HIS : no HE2:sc= 0.974 K(o=0.97,f=-3.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00161 USER MOD Single : A 45 THR OG1 : rot 180:sc=0.000734 USER MOD Single : A 46 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.068) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 77 ASN : amide:sc= 0.0826 K(o=0.083,f=-2.8!) USER MOD Single : A 78 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.0038) USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= 0.724 (180deg=0.587) USER MOD Single : A 85 MET CE :methyl -158:sc= 0 (180deg=-0.0939) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 98 THR OG1 : rot 167:sc= 0.736 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 -0.761 27.634 1.551 1.00 25.00 N ATOM 2 CA MET A 4 -0.415 28.796 2.416 1.00 25.00 C ATOM 3 C MET A 4 0.156 28.307 3.734 1.00 25.00 C ATOM 4 O MET A 4 -0.365 27.333 4.271 1.00 25.00 O ATOM 5 CB MET A 4 -1.660 29.642 2.701 1.00 25.00 C ATOM 6 CG MET A 4 -2.287 30.290 1.472 1.00 25.00 C ATOM 7 SD MET A 4 -3.690 31.355 1.877 1.00 25.00 S ATOM 8 CE MET A 4 -4.984 30.159 2.289 1.00 25.00 C ATOM 0 HA MET A 4 0.323 29.404 1.893 1.00 25.00 H new ATOM 0 HB2 MET A 4 -2.407 29.012 3.184 1.00 25.00 H new ATOM 0 HB3 MET A 4 -1.395 30.425 3.412 1.00 25.00 H new ATOM 0 HG2 MET A 4 -1.530 30.877 0.951 1.00 25.00 H new ATOM 0 HG3 MET A 4 -2.615 29.511 0.784 1.00 25.00 H new ATOM 0 HE1 MET A 4 -5.913 30.687 2.504 1.00 25.00 H new ATOM 0 HE2 MET A 4 -5.137 29.484 1.447 1.00 25.00 H new ATOM 0 HE3 MET A 4 -4.683 29.584 3.165 1.00 25.00 H new ATOM 18 N SER A 5 1.215 28.945 4.233 1.00 25.00 N ATOM 19 CA SER A 5 1.884 28.588 5.498 1.00 25.00 C ATOM 20 C SER A 5 2.284 27.110 5.605 1.00 25.00 C ATOM 21 O SER A 5 2.276 26.505 6.679 1.00 25.00 O ATOM 22 CB SER A 5 0.992 28.979 6.682 1.00 25.00 C ATOM 23 OG SER A 5 0.609 30.346 6.605 1.00 25.00 O ATOM 0 H SER A 5 1.646 29.742 3.764 1.00 25.00 H new ATOM 0 HA SER A 5 2.818 29.150 5.517 1.00 25.00 H new ATOM 0 HB2 SER A 5 0.103 28.349 6.695 1.00 25.00 H new ATOM 0 HB3 SER A 5 1.523 28.799 7.617 1.00 25.00 H new ATOM 0 HG SER A 5 0.039 30.570 7.370 1.00 25.00 H new ATOM 29 N ASP A 6 2.550 26.501 4.459 1.00 25.00 N ATOM 30 CA ASP A 6 2.612 25.046 4.342 1.00 25.00 C ATOM 31 C ASP A 6 3.885 24.383 4.876 1.00 25.00 C ATOM 32 O ASP A 6 4.999 24.848 4.595 1.00 25.00 O ATOM 33 CB ASP A 6 2.472 24.701 2.864 1.00 25.00 C ATOM 34 CG ASP A 6 2.259 23.227 2.627 1.00 25.00 C ATOM 35 OD1 ASP A 6 1.528 22.570 3.404 1.00 25.00 O ATOM 36 OD2 ASP A 6 2.820 22.705 1.641 1.00 25.00 O ATOM 0 H ASP A 6 2.729 26.996 3.585 1.00 25.00 H new ATOM 0 HA ASP A 6 1.807 24.657 4.966 1.00 25.00 H new ATOM 0 HB2 ASP A 6 1.634 25.257 2.443 1.00 25.00 H new ATOM 0 HB3 ASP A 6 3.368 25.024 2.333 1.00 25.00 H new ATOM 41 N GLN A 7 3.725 23.287 5.608 1.00 25.00 N ATOM 42 CA GLN A 7 4.843 22.498 6.137 1.00 25.00 C ATOM 43 C GLN A 7 4.568 21.003 5.991 1.00 25.00 C ATOM 44 O GLN A 7 3.412 20.584 5.933 1.00 25.00 O ATOM 45 CB GLN A 7 5.099 22.851 7.608 1.00 25.00 C ATOM 46 CG GLN A 7 3.999 22.477 8.609 1.00 25.00 C ATOM 47 CD GLN A 7 4.307 22.989 10.001 1.00 25.00 C ATOM 48 OE1 GLN A 7 5.415 22.829 10.501 1.00 25.00 O ATOM 49 NE2 GLN A 7 3.367 23.644 10.621 1.00 25.00 N ATOM 0 H GLN A 7 2.809 22.913 5.856 1.00 25.00 H new ATOM 0 HA GLN A 7 5.735 22.741 5.559 1.00 25.00 H new ATOM 0 HB2 GLN A 7 6.022 22.362 7.919 1.00 25.00 H new ATOM 0 HB3 GLN A 7 5.269 23.926 7.675 1.00 25.00 H new ATOM 0 HG2 GLN A 7 3.047 22.888 8.273 1.00 25.00 H new ATOM 0 HG3 GLN A 7 3.886 21.393 8.637 1.00 25.00 H new ATOM 0 HE21 GLN A 7 2.454 23.763 10.182 1.00 25.00 H new ATOM 0 HE22 GLN A 7 3.544 24.038 11.545 1.00 25.00 H new ATOM 58 N GLU A 8 5.620 20.197 5.946 1.00 25.00 N ATOM 59 CA GLU A 8 5.492 18.739 5.853 1.00 25.00 C ATOM 60 C GLU A 8 5.544 18.107 7.242 1.00 25.00 C ATOM 61 O GLU A 8 5.148 16.956 7.428 1.00 25.00 O ATOM 62 CB GLU A 8 6.630 18.144 5.015 1.00 25.00 C ATOM 63 CG GLU A 8 6.588 18.528 3.540 1.00 25.00 C ATOM 64 CD GLU A 8 7.659 17.813 2.726 1.00 25.00 C ATOM 65 OE1 GLU A 8 7.676 16.560 2.658 1.00 25.00 O ATOM 66 OE2 GLU A 8 8.511 18.499 2.126 1.00 25.00 O ATOM 0 H GLU A 8 6.584 20.528 5.972 1.00 25.00 H new ATOM 0 HA GLU A 8 4.534 18.526 5.380 1.00 25.00 H new ATOM 0 HB2 GLU A 8 7.583 18.466 5.436 1.00 25.00 H new ATOM 0 HB3 GLU A 8 6.597 17.058 5.097 1.00 25.00 H new ATOM 0 HG2 GLU A 8 5.606 18.290 3.133 1.00 25.00 H new ATOM 0 HG3 GLU A 8 6.720 19.606 3.443 1.00 25.00 H new ATOM 73 N ALA A 9 6.053 18.845 8.219 1.00 25.00 N ATOM 74 CA ALA A 9 6.182 18.336 9.583 1.00 25.00 C ATOM 75 C ALA A 9 4.821 17.966 10.187 1.00 25.00 C ATOM 76 O ALA A 9 3.846 18.716 10.067 1.00 25.00 O ATOM 77 CB ALA A 9 6.883 19.386 10.456 1.00 25.00 C ATOM 0 H ALA A 9 6.385 19.801 8.095 1.00 25.00 H new ATOM 0 HA ALA A 9 6.779 17.425 9.549 1.00 25.00 H new ATOM 0 HB1 ALA A 9 6.980 19.007 11.474 1.00 25.00 H new ATOM 0 HB2 ALA A 9 7.873 19.594 10.051 1.00 25.00 H new ATOM 0 HB3 ALA A 9 6.295 20.303 10.465 1.00 25.00 H new ATOM 83 N LYS A 10 4.752 16.819 10.853 1.00 25.00 N ATOM 84 CA LYS A 10 3.541 16.425 11.582 1.00 25.00 C ATOM 85 C LYS A 10 3.382 17.370 12.774 1.00 25.00 C ATOM 86 O LYS A 10 4.397 17.789 13.343 1.00 25.00 O ATOM 87 CB LYS A 10 3.675 14.995 12.122 1.00 25.00 C ATOM 88 CG LYS A 10 3.728 13.897 11.069 1.00 25.00 C ATOM 89 CD LYS A 10 3.847 12.545 11.759 1.00 25.00 C ATOM 90 CE LYS A 10 4.150 11.421 10.778 1.00 25.00 C ATOM 91 NZ LYS A 10 4.340 10.114 11.489 1.00 25.00 N ATOM 0 H LYS A 10 5.515 16.144 10.906 1.00 25.00 H new ATOM 0 HA LYS A 10 2.684 16.473 10.910 1.00 25.00 H new ATOM 0 HB2 LYS A 10 4.580 14.937 12.727 1.00 25.00 H new ATOM 0 HB3 LYS A 10 2.834 14.796 12.786 1.00 25.00 H new ATOM 0 HG2 LYS A 10 2.830 13.926 10.452 1.00 25.00 H new ATOM 0 HG3 LYS A 10 4.577 14.055 10.404 1.00 25.00 H new ATOM 0 HD2 LYS A 10 4.635 12.591 12.510 1.00 25.00 H new ATOM 0 HD3 LYS A 10 2.918 12.325 12.285 1.00 25.00 H new ATOM 0 HE2 LYS A 10 3.334 11.332 10.060 1.00 25.00 H new ATOM 0 HE3 LYS A 10 5.049 11.663 10.211 1.00 25.00 H new ATOM 0 HZ1 LYS A 10 4.545 9.368 10.794 1.00 25.00 H new ATOM 0 HZ2 LYS A 10 5.134 10.194 12.156 1.00 25.00 H new ATOM 0 HZ3 LYS A 10 3.473 9.873 12.010 1.00 25.00 H new ATOM 105 N PRO A 11 2.146 17.639 13.240 1.00 25.00 N ATOM 106 CA PRO A 11 2.065 18.484 14.442 1.00 25.00 C ATOM 107 C PRO A 11 2.631 17.804 15.691 1.00 25.00 C ATOM 108 O PRO A 11 3.012 18.456 16.665 1.00 25.00 O ATOM 109 CB PRO A 11 0.563 18.758 14.565 1.00 25.00 C ATOM 110 CG PRO A 11 -0.075 17.555 13.975 1.00 25.00 C ATOM 111 CD PRO A 11 0.797 17.244 12.781 1.00 25.00 C ATOM 0 HA PRO A 11 2.665 19.390 14.356 1.00 25.00 H new ATOM 0 HB2 PRO A 11 0.267 18.896 15.605 1.00 25.00 H new ATOM 0 HB3 PRO A 11 0.278 19.663 14.029 1.00 25.00 H new ATOM 0 HG2 PRO A 11 -0.099 16.726 14.682 1.00 25.00 H new ATOM 0 HG3 PRO A 11 -1.106 17.751 13.679 1.00 25.00 H new ATOM 0 HD2 PRO A 11 0.755 16.188 12.515 1.00 25.00 H new ATOM 0 HD3 PRO A 11 0.490 17.807 11.900 1.00 25.00 H new ATOM 119 N SER A 12 2.741 16.484 15.628 1.00 25.00 N ATOM 120 CA SER A 12 3.348 15.648 16.656 1.00 25.00 C ATOM 121 C SER A 12 4.857 15.825 16.841 1.00 25.00 C ATOM 122 O SER A 12 5.430 15.317 17.810 1.00 25.00 O ATOM 123 CB SER A 12 3.081 14.208 16.232 1.00 25.00 C ATOM 124 OG SER A 12 2.088 14.211 15.213 1.00 25.00 O ATOM 0 H SER A 12 2.398 15.947 14.832 1.00 25.00 H new ATOM 0 HA SER A 12 2.910 15.931 17.613 1.00 25.00 H new ATOM 0 HB2 SER A 12 3.997 13.746 15.866 1.00 25.00 H new ATOM 0 HB3 SER A 12 2.746 13.618 17.085 1.00 25.00 H new ATOM 0 HG SER A 12 1.908 13.290 14.929 1.00 25.00 H new ATOM 130 N THR A 13 5.519 16.529 15.928 1.00 25.00 N ATOM 131 CA THR A 13 6.945 16.823 16.092 1.00 25.00 C ATOM 132 C THR A 13 7.064 17.737 17.307 1.00 25.00 C ATOM 133 O THR A 13 6.142 18.512 17.583 1.00 25.00 O ATOM 134 CB THR A 13 7.569 17.499 14.850 1.00 25.00 C ATOM 135 OG1 THR A 13 6.814 18.660 14.491 1.00 25.00 O ATOM 136 CG2 THR A 13 7.588 16.566 13.653 1.00 25.00 C ATOM 0 H THR A 13 5.101 16.904 15.076 1.00 25.00 H new ATOM 0 HA THR A 13 7.493 15.890 16.225 1.00 25.00 H new ATOM 0 HB THR A 13 8.592 17.767 15.113 1.00 25.00 H new ATOM 0 HG1 THR A 13 5.972 18.386 14.072 1.00 25.00 H new ATOM 0 HG21 THR A 13 8.034 17.078 12.800 1.00 25.00 H new ATOM 0 HG22 THR A 13 8.175 15.679 13.892 1.00 25.00 H new ATOM 0 HG23 THR A 13 6.568 16.270 13.406 1.00 25.00 H new ATOM 144 N GLU A 14 8.144 17.564 18.064 1.00 25.00 N ATOM 145 CA GLU A 14 8.380 18.145 19.399 1.00 25.00 C ATOM 146 C GLU A 14 7.410 17.690 20.505 1.00 25.00 C ATOM 147 O GLU A 14 7.801 17.557 21.663 1.00 25.00 O ATOM 148 CB GLU A 14 8.446 19.678 19.330 1.00 25.00 C ATOM 149 CG GLU A 14 9.123 20.348 20.525 1.00 25.00 C ATOM 150 CD GLU A 14 9.072 21.866 20.451 1.00 25.00 C ATOM 151 OE1 GLU A 14 8.464 22.421 19.502 1.00 25.00 O ATOM 152 OE2 GLU A 14 9.605 22.542 21.362 1.00 25.00 O ATOM 0 H GLU A 14 8.925 16.985 17.754 1.00 25.00 H new ATOM 0 HA GLU A 14 9.348 17.745 19.699 1.00 25.00 H new ATOM 0 HB2 GLU A 14 8.978 19.964 18.423 1.00 25.00 H new ATOM 0 HB3 GLU A 14 7.432 20.067 19.241 1.00 25.00 H new ATOM 0 HG2 GLU A 14 8.640 20.016 21.444 1.00 25.00 H new ATOM 0 HG3 GLU A 14 10.163 20.025 20.577 1.00 25.00 H new ATOM 159 N ASP A 15 6.155 17.421 20.178 1.00 25.00 N ATOM 160 CA ASP A 15 5.166 16.999 21.169 1.00 25.00 C ATOM 161 C ASP A 15 5.359 15.575 21.693 1.00 25.00 C ATOM 162 O ASP A 15 5.117 15.301 22.871 1.00 25.00 O ATOM 163 CB ASP A 15 3.765 17.086 20.567 1.00 25.00 C ATOM 164 CG ASP A 15 2.686 16.911 21.614 1.00 25.00 C ATOM 165 OD1 ASP A 15 2.643 17.714 22.574 1.00 25.00 O ATOM 166 OD2 ASP A 15 1.881 15.956 21.521 1.00 25.00 O ATOM 0 H ASP A 15 5.792 17.487 19.227 1.00 25.00 H new ATOM 0 HA ASP A 15 5.299 17.676 22.013 1.00 25.00 H new ATOM 0 HB2 ASP A 15 3.641 18.051 20.076 1.00 25.00 H new ATOM 0 HB3 ASP A 15 3.652 16.321 19.799 1.00 25.00 H new ATOM 171 N LEU A 16 5.774 14.658 20.829 1.00 25.00 N ATOM 172 CA LEU A 16 5.959 13.258 21.227 1.00 25.00 C ATOM 173 C LEU A 16 7.337 12.987 21.827 1.00 25.00 C ATOM 174 O LEU A 16 8.323 13.669 21.511 1.00 25.00 O ATOM 175 CB LEU A 16 5.769 12.319 20.029 1.00 25.00 C ATOM 176 CG LEU A 16 4.377 12.219 19.384 1.00 25.00 C ATOM 177 CD1 LEU A 16 4.450 11.292 18.169 1.00 50.00 C ATOM 178 CD2 LEU A 16 3.320 11.691 20.356 1.00 50.00 C ATOM 0 H LEU A 16 5.990 14.851 19.851 1.00 25.00 H new ATOM 0 HA LEU A 16 5.204 13.068 21.990 1.00 25.00 H new ATOM 0 HB2 LEU A 16 6.471 12.626 19.254 1.00 25.00 H new ATOM 0 HB3 LEU A 16 6.060 11.317 20.345 1.00 25.00 H new ATOM 0 HG LEU A 16 4.079 13.225 19.088 1.00 25.00 H new ATOM 0 HD11 LEU A 16 3.465 11.218 17.708 1.00 50.00 H new ATOM 0 HD12 LEU A 16 5.159 11.695 17.446 1.00 50.00 H new ATOM 0 HD13 LEU A 16 4.778 10.302 18.486 1.00 50.00 H new ATOM 0 HD21 LEU A 16 2.355 11.639 19.851 1.00 50.00 H new ATOM 0 HD22 LEU A 16 3.605 10.696 20.697 1.00 50.00 H new ATOM 0 HD23 LEU A 16 3.246 12.361 21.212 1.00 50.00 H new ATOM 190 N GLY A 17 7.406 11.958 22.659 1.00 25.00 N ATOM 191 CA GLY A 17 8.662 11.519 23.247 1.00 25.00 C ATOM 192 C GLY A 17 9.158 12.381 24.390 1.00 25.00 C ATOM 193 O GLY A 17 8.491 13.332 24.803 1.00 25.00 O ATOM 0 H GLY A 17 6.597 11.406 22.944 1.00 25.00 H new ATOM 0 HA2 GLY A 17 8.543 10.497 23.605 1.00 25.00 H new ATOM 0 HA3 GLY A 17 9.425 11.497 22.468 1.00 25.00 H new ATOM 197 N ASP A 18 10.338 12.064 24.898 1.00 25.00 N ATOM 198 CA ASP A 18 10.974 12.848 25.958 1.00 25.00 C ATOM 199 C ASP A 18 11.642 14.051 25.310 1.00 25.00 C ATOM 200 O ASP A 18 12.062 13.968 24.156 1.00 25.00 O ATOM 201 CB ASP A 18 12.073 12.029 26.643 1.00 25.00 C ATOM 202 CG ASP A 18 11.531 11.082 27.686 1.00 25.00 C ATOM 203 OD1 ASP A 18 11.136 11.552 28.779 1.00 25.00 O ATOM 204 OD2 ASP A 18 11.530 9.856 27.452 1.00 25.00 O ATOM 0 H ASP A 18 10.885 11.259 24.592 1.00 25.00 H new ATOM 0 HA ASP A 18 10.221 13.139 26.691 1.00 25.00 H new ATOM 0 HB2 ASP A 18 12.619 11.460 25.890 1.00 25.00 H new ATOM 0 HB3 ASP A 18 12.788 12.707 27.110 1.00 25.00 H new ATOM 209 N LYS A 19 11.848 15.135 26.045 1.00 25.00 N ATOM 210 CA LYS A 19 12.655 16.254 25.534 1.00 25.00 C ATOM 211 C LYS A 19 14.142 15.909 25.516 1.00 25.00 C ATOM 212 O LYS A 19 14.913 16.479 24.744 1.00 25.00 O ATOM 213 CB LYS A 19 12.381 17.533 26.331 1.00 25.00 C ATOM 214 CG LYS A 19 10.952 18.028 26.124 1.00 25.00 C ATOM 215 CD LYS A 19 10.681 19.378 26.766 1.00 25.00 C ATOM 216 CE LYS A 19 9.237 19.779 26.489 1.00 25.00 C ATOM 217 NZ LYS A 19 8.899 21.156 26.966 1.00 25.00 N ATOM 0 H LYS A 19 11.477 15.271 26.985 1.00 25.00 H new ATOM 0 HA LYS A 19 12.357 16.437 24.501 1.00 25.00 H new ATOM 0 HB2 LYS A 19 12.552 17.346 27.391 1.00 25.00 H new ATOM 0 HB3 LYS A 19 13.083 18.309 26.027 1.00 25.00 H new ATOM 0 HG2 LYS A 19 10.750 18.096 25.055 1.00 25.00 H new ATOM 0 HG3 LYS A 19 10.258 17.294 26.533 1.00 25.00 H new ATOM 0 HD2 LYS A 19 10.858 19.326 27.840 1.00 25.00 H new ATOM 0 HD3 LYS A 19 11.363 20.128 26.367 1.00 25.00 H new ATOM 0 HE2 LYS A 19 9.051 19.718 25.417 1.00 25.00 H new ATOM 0 HE3 LYS A 19 8.571 19.063 26.969 1.00 25.00 H new ATOM 0 HZ1 LYS A 19 7.904 21.365 26.747 1.00 25.00 H new ATOM 0 HZ2 LYS A 19 9.046 21.213 27.994 1.00 25.00 H new ATOM 0 HZ3 LYS A 19 9.511 21.849 26.489 1.00 25.00 H new ATOM 231 N LYS A 20 14.533 14.903 26.290 1.00 25.00 N ATOM 232 CA LYS A 20 15.856 14.267 26.151 1.00 25.00 C ATOM 233 C LYS A 20 15.971 13.413 24.886 1.00 25.00 C ATOM 234 O LYS A 20 17.079 13.034 24.505 1.00 25.00 O ATOM 235 CB LYS A 20 16.146 13.356 27.352 1.00 25.00 C ATOM 236 CG LYS A 20 16.462 14.043 28.673 1.00 25.00 C ATOM 237 CD LYS A 20 16.739 12.988 29.742 1.00 25.00 C ATOM 238 CE LYS A 20 17.121 13.602 31.086 1.00 25.00 C ATOM 239 NZ LYS A 20 17.359 12.533 32.115 1.00 25.00 N ATOM 0 H LYS A 20 13.954 14.502 27.028 1.00 25.00 H new ATOM 0 HA LYS A 20 16.575 15.084 26.094 1.00 25.00 H new ATOM 0 HB2 LYS A 20 15.282 12.708 27.504 1.00 25.00 H new ATOM 0 HB3 LYS A 20 16.986 12.711 27.095 1.00 25.00 H new ATOM 0 HG2 LYS A 20 17.328 14.695 28.558 1.00 25.00 H new ATOM 0 HG3 LYS A 20 15.626 14.673 28.977 1.00 25.00 H new ATOM 0 HD2 LYS A 20 15.854 12.364 29.870 1.00 25.00 H new ATOM 0 HD3 LYS A 20 17.543 12.335 29.403 1.00 25.00 H new ATOM 0 HE2 LYS A 20 18.019 14.208 30.971 1.00 25.00 H new ATOM 0 HE3 LYS A 20 16.328 14.268 31.425 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 17.699 12.969 32.996 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 16.470 12.026 32.300 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 18.073 11.864 31.762 1.00 25.00 H new ATOM 253 N GLU A 21 14.843 13.102 24.257 1.00 25.00 N ATOM 254 CA GLU A 21 14.741 12.249 23.060 1.00 25.00 C ATOM 255 C GLU A 21 15.376 10.863 23.249 1.00 25.00 C ATOM 256 O GLU A 21 15.935 10.288 22.315 1.00 25.00 O ATOM 257 CB GLU A 21 15.316 12.938 21.809 1.00 25.00 C ATOM 258 CG GLU A 21 14.681 14.283 21.458 1.00 25.00 C ATOM 259 CD GLU A 21 15.230 14.875 20.163 1.00 25.00 C ATOM 260 OE1 GLU A 21 15.197 14.221 19.091 1.00 25.00 O ATOM 261 OE2 GLU A 21 15.696 16.038 20.182 1.00 25.00 O ATOM 0 H GLU A 21 13.936 13.446 24.572 1.00 25.00 H new ATOM 0 HA GLU A 21 13.673 12.094 22.907 1.00 25.00 H new ATOM 0 HB2 GLU A 21 16.386 13.086 21.955 1.00 25.00 H new ATOM 0 HB3 GLU A 21 15.200 12.266 20.958 1.00 25.00 H new ATOM 0 HG2 GLU A 21 13.602 14.158 21.366 1.00 25.00 H new ATOM 0 HG3 GLU A 21 14.852 14.985 22.274 1.00 25.00 H new ATOM 268 N GLY A 22 15.346 10.350 24.471 1.00 25.00 N ATOM 269 CA GLY A 22 16.023 9.108 24.808 1.00 25.00 C ATOM 270 C GLY A 22 16.638 9.330 26.172 1.00 25.00 C ATOM 271 O GLY A 22 16.157 10.190 26.909 1.00 25.00 O ATOM 0 H GLY A 22 14.854 10.782 25.253 1.00 25.00 H new ATOM 0 HA2 GLY A 22 15.322 8.273 24.826 1.00 25.00 H new ATOM 0 HA3 GLY A 22 16.787 8.866 24.069 1.00 25.00 H new ATOM 275 N GLU A 23 17.711 8.630 26.497 1.00 25.00 N ATOM 276 CA GLU A 23 18.486 8.895 27.709 1.00 25.00 C ATOM 277 C GLU A 23 19.952 8.799 27.298 1.00 25.00 C ATOM 278 O GLU A 23 20.294 7.962 26.456 1.00 25.00 O ATOM 279 CB GLU A 23 18.141 7.887 28.811 1.00 25.00 C ATOM 280 CG GLU A 23 18.771 8.219 30.158 1.00 25.00 C ATOM 281 CD GLU A 23 18.272 9.549 30.693 1.00 25.00 C ATOM 282 OE1 GLU A 23 17.060 9.687 30.970 1.00 25.00 O ATOM 283 OE2 GLU A 23 19.079 10.501 30.793 1.00 25.00 O ATOM 0 H GLU A 23 18.074 7.862 25.933 1.00 25.00 H new ATOM 0 HA GLU A 23 18.261 9.878 28.122 1.00 25.00 H new ATOM 0 HB2 GLU A 23 17.058 7.843 28.926 1.00 25.00 H new ATOM 0 HB3 GLU A 23 18.469 6.895 28.500 1.00 25.00 H new ATOM 0 HG2 GLU A 23 18.541 7.429 30.873 1.00 25.00 H new ATOM 0 HG3 GLU A 23 19.856 8.251 30.056 1.00 25.00 H new ATOM 290 N TYR A 24 20.800 9.662 27.837 1.00 25.00 N ATOM 291 CA TYR A 24 22.193 9.789 27.410 1.00 25.00 C ATOM 292 C TYR A 24 23.169 9.578 28.566 1.00 25.00 C ATOM 293 O TYR A 24 22.774 9.605 29.736 1.00 25.00 O ATOM 294 CB TYR A 24 22.397 11.180 26.794 1.00 25.00 C ATOM 295 CG TYR A 24 21.843 12.320 27.630 1.00 25.00 C ATOM 296 CD1 TYR A 24 22.478 12.737 28.821 1.00 25.00 C ATOM 297 CD2 TYR A 24 20.677 13.003 27.222 1.00 25.00 C ATOM 298 CE1 TYR A 24 21.936 13.794 29.601 1.00 25.00 C ATOM 299 CE2 TYR A 24 20.159 14.083 27.981 1.00 25.00 C ATOM 300 CZ TYR A 24 20.787 14.460 29.170 1.00 25.00 C ATOM 301 OH TYR A 24 20.270 15.497 29.906 1.00 25.00 O ATOM 0 H TYR A 24 20.543 10.301 28.589 1.00 25.00 H new ATOM 0 HA TYR A 24 22.399 9.013 26.673 1.00 25.00 H new ATOM 0 HB2 TYR A 24 23.464 11.343 26.639 1.00 25.00 H new ATOM 0 HB3 TYR A 24 21.925 11.202 25.812 1.00 25.00 H new ATOM 0 HD1 TYR A 24 23.385 12.247 29.142 1.00 25.00 H new ATOM 0 HD2 TYR A 24 20.171 12.698 26.318 1.00 25.00 H new ATOM 0 HE1 TYR A 24 22.412 14.082 30.526 1.00 25.00 H new ATOM 0 HE2 TYR A 24 19.281 14.612 27.641 1.00 25.00 H new ATOM 0 HH TYR A 24 19.470 15.847 29.461 1.00 25.00 H new ATOM 311 N ILE A 25 24.439 9.418 28.224 1.00 25.00 N ATOM 312 CA ILE A 25 25.551 9.350 29.169 1.00 25.00 C ATOM 313 C ILE A 25 26.517 10.481 28.836 1.00 25.00 C ATOM 314 O ILE A 25 26.509 11.012 27.721 1.00 25.00 O ATOM 315 CB ILE A 25 26.323 7.994 29.090 1.00 25.00 C ATOM 316 CG1 ILE A 25 26.932 7.749 27.691 1.00 25.00 C ATOM 317 CG2 ILE A 25 25.399 6.837 29.525 1.00 25.00 C ATOM 318 CD1 ILE A 25 28.089 6.748 27.650 1.00 25.00 C ATOM 0 H ILE A 25 24.736 9.329 27.252 1.00 25.00 H new ATOM 0 HA ILE A 25 25.147 9.437 30.178 1.00 25.00 H new ATOM 0 HB ILE A 25 27.165 8.043 29.780 1.00 25.00 H new ATOM 0 HG12 ILE A 25 26.144 7.396 27.026 1.00 25.00 H new ATOM 0 HG13 ILE A 25 27.282 8.701 27.293 1.00 25.00 H new ATOM 0 HG21 ILE A 25 25.944 5.895 29.467 1.00 25.00 H new ATOM 0 HG22 ILE A 25 25.067 7.002 30.550 1.00 25.00 H new ATOM 0 HG23 ILE A 25 24.532 6.796 28.865 1.00 25.00 H new ATOM 0 HD11 ILE A 25 28.446 6.646 26.625 1.00 25.00 H new ATOM 0 HD12 ILE A 25 28.901 7.105 28.283 1.00 25.00 H new ATOM 0 HD13 ILE A 25 27.745 5.779 28.012 1.00 25.00 H new ATOM 330 N LYS A 26 27.381 10.819 29.779 1.00 25.00 N ATOM 331 CA LYS A 26 28.528 11.681 29.500 1.00 25.00 C ATOM 332 C LYS A 26 29.583 10.797 28.844 1.00 25.00 C ATOM 333 O LYS A 26 29.945 9.765 29.419 1.00 25.00 O ATOM 334 CB LYS A 26 29.077 12.240 30.815 1.00 25.00 C ATOM 335 CG LYS A 26 28.107 13.136 31.569 1.00 25.00 C ATOM 336 CD LYS A 26 28.699 13.524 32.910 1.00 25.00 C ATOM 337 CE LYS A 26 27.722 14.356 33.728 1.00 25.00 C ATOM 338 NZ LYS A 26 28.288 14.675 35.081 1.00 25.00 N ATOM 0 H LYS A 26 27.313 10.511 30.749 1.00 25.00 H new ATOM 0 HA LYS A 26 28.252 12.516 28.856 1.00 25.00 H new ATOM 0 HB2 LYS A 26 29.360 11.408 31.460 1.00 25.00 H new ATOM 0 HB3 LYS A 26 29.986 12.804 30.605 1.00 25.00 H new ATOM 0 HG2 LYS A 26 27.894 14.030 30.983 1.00 25.00 H new ATOM 0 HG3 LYS A 26 27.159 12.618 31.716 1.00 25.00 H new ATOM 0 HD2 LYS A 26 28.967 12.625 33.465 1.00 25.00 H new ATOM 0 HD3 LYS A 26 29.618 14.088 32.754 1.00 25.00 H new ATOM 0 HE2 LYS A 26 27.494 15.281 33.198 1.00 25.00 H new ATOM 0 HE3 LYS A 26 26.783 13.814 33.841 1.00 25.00 H new ATOM 0 HZ1 LYS A 26 27.603 15.243 35.619 1.00 25.00 H new ATOM 0 HZ2 LYS A 26 28.483 13.791 35.593 1.00 25.00 H new ATOM 0 HZ3 LYS A 26 29.171 15.212 34.970 1.00 25.00 H new ATOM 352 N LEU A 27 30.074 11.166 27.669 1.00 25.00 N ATOM 353 CA LEU A 27 31.133 10.407 27.006 1.00 25.00 C ATOM 354 C LEU A 27 32.251 11.340 26.558 1.00 25.00 C ATOM 355 O LEU A 27 32.008 12.342 25.881 1.00 25.00 O ATOM 356 CB LEU A 27 30.587 9.633 25.801 1.00 25.00 C ATOM 357 CG LEU A 27 31.552 8.628 25.144 1.00 25.00 C ATOM 358 CD1 LEU A 27 31.865 7.443 26.066 1.00 50.00 C ATOM 359 CD2 LEU A 27 30.972 8.100 23.840 1.00 50.00 C ATOM 0 H LEU A 27 29.758 11.987 27.152 1.00 25.00 H new ATOM 0 HA LEU A 27 31.530 9.689 27.724 1.00 25.00 H new ATOM 0 HB2 LEU A 27 29.694 9.094 26.116 1.00 25.00 H new ATOM 0 HB3 LEU A 27 30.275 10.353 25.044 1.00 25.00 H new ATOM 0 HG LEU A 27 32.479 9.167 24.947 1.00 25.00 H new ATOM 0 HD11 LEU A 27 32.549 6.760 25.562 1.00 50.00 H new ATOM 0 HD12 LEU A 27 32.327 7.808 26.983 1.00 50.00 H new ATOM 0 HD13 LEU A 27 30.942 6.918 26.309 1.00 50.00 H new ATOM 0 HD21 LEU A 27 31.669 7.392 23.392 1.00 50.00 H new ATOM 0 HD22 LEU A 27 30.024 7.600 24.039 1.00 50.00 H new ATOM 0 HD23 LEU A 27 30.806 8.930 23.153 1.00 50.00 H new ATOM 371 N LYS A 28 33.480 10.996 26.911 1.00 25.00 N ATOM 372 CA LYS A 28 34.665 11.774 26.571 1.00 25.00 C ATOM 373 C LYS A 28 35.631 10.805 25.928 1.00 25.00 C ATOM 374 O LYS A 28 35.764 9.683 26.412 1.00 25.00 O ATOM 375 CB LYS A 28 35.269 12.388 27.838 1.00 25.00 C ATOM 376 CG LYS A 28 36.520 13.232 27.632 1.00 25.00 C ATOM 377 CD LYS A 28 37.070 13.768 28.953 1.00 25.00 C ATOM 378 CE LYS A 28 36.196 14.867 29.553 1.00 25.00 C ATOM 379 NZ LYS A 28 36.827 15.515 30.742 1.00 25.00 N ATOM 0 H LYS A 28 33.687 10.155 27.450 1.00 25.00 H new ATOM 0 HA LYS A 28 34.431 12.597 25.896 1.00 25.00 H new ATOM 0 HB2 LYS A 28 34.510 13.007 28.317 1.00 25.00 H new ATOM 0 HB3 LYS A 28 35.507 11.582 28.532 1.00 25.00 H new ATOM 0 HG2 LYS A 28 37.284 12.633 27.137 1.00 25.00 H new ATOM 0 HG3 LYS A 28 36.290 14.066 26.969 1.00 25.00 H new ATOM 0 HD2 LYS A 28 37.155 12.948 29.666 1.00 25.00 H new ATOM 0 HD3 LYS A 28 38.076 14.156 28.792 1.00 25.00 H new ATOM 0 HE2 LYS A 28 35.997 15.624 28.794 1.00 25.00 H new ATOM 0 HE3 LYS A 28 35.234 14.444 29.842 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 36.160 16.193 31.162 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 37.071 14.788 31.445 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 37.690 16.015 30.448 1.00 25.00 H new ATOM 393 N VAL A 29 36.298 11.228 24.869 1.00 25.00 N ATOM 394 CA VAL A 29 37.283 10.399 24.187 1.00 25.00 C ATOM 395 C VAL A 29 38.452 11.327 23.888 1.00 25.00 C ATOM 396 O VAL A 29 38.258 12.522 23.646 1.00 25.00 O ATOM 397 CB VAL A 29 36.668 9.720 22.913 1.00 25.00 C ATOM 398 CG1 VAL A 29 36.257 10.740 21.840 1.00 50.00 C ATOM 399 CG2 VAL A 29 37.610 8.677 22.305 1.00 50.00 C ATOM 0 H VAL A 29 36.175 12.153 24.456 1.00 25.00 H new ATOM 0 HA VAL A 29 37.621 9.560 24.795 1.00 25.00 H new ATOM 0 HB VAL A 29 35.767 9.214 23.259 1.00 25.00 H new ATOM 0 HG11 VAL A 29 35.838 10.216 20.981 1.00 50.00 H new ATOM 0 HG12 VAL A 29 35.510 11.419 22.251 1.00 50.00 H new ATOM 0 HG13 VAL A 29 37.131 11.310 21.526 1.00 50.00 H new ATOM 0 HG21 VAL A 29 37.143 8.233 21.426 1.00 50.00 H new ATOM 0 HG22 VAL A 29 38.545 9.156 22.016 1.00 50.00 H new ATOM 0 HG23 VAL A 29 37.813 7.898 23.040 1.00 50.00 H new ATOM 409 N ILE A 30 39.664 10.797 23.927 1.00 25.00 N ATOM 410 CA ILE A 30 40.834 11.497 23.411 1.00 25.00 C ATOM 411 C ILE A 30 40.756 11.225 21.911 1.00 25.00 C ATOM 412 O ILE A 30 40.874 10.082 21.459 1.00 25.00 O ATOM 413 CB ILE A 30 42.150 10.983 24.047 1.00 25.00 C ATOM 414 CG1 ILE A 30 42.116 11.208 25.571 1.00 25.00 C ATOM 415 CG2 ILE A 30 43.368 11.677 23.404 1.00 25.00 C ATOM 416 CD1 ILE A 30 43.244 10.537 26.358 1.00 25.00 C ATOM 0 H ILE A 30 39.866 9.875 24.314 1.00 25.00 H new ATOM 0 HA ILE A 30 40.839 12.561 23.646 1.00 25.00 H new ATOM 0 HB ILE A 30 42.244 9.913 23.861 1.00 25.00 H new ATOM 0 HG12 ILE A 30 42.149 12.280 25.764 1.00 25.00 H new ATOM 0 HG13 ILE A 30 41.162 10.845 25.954 1.00 25.00 H new ATOM 0 HG21 ILE A 30 44.284 11.304 23.863 1.00 25.00 H new ATOM 0 HG22 ILE A 30 43.385 11.465 22.335 1.00 25.00 H new ATOM 0 HG23 ILE A 30 43.297 12.754 23.559 1.00 25.00 H new ATOM 0 HD11 ILE A 30 43.128 10.757 27.419 1.00 25.00 H new ATOM 0 HD12 ILE A 30 43.203 9.459 26.204 1.00 25.00 H new ATOM 0 HD13 ILE A 30 44.205 10.917 26.012 1.00 25.00 H new ATOM 428 N GLY A 31 40.441 12.277 21.170 1.00 25.00 N ATOM 429 CA GLY A 31 40.105 12.165 19.761 1.00 25.00 C ATOM 430 C GLY A 31 41.265 12.167 18.783 1.00 25.00 C ATOM 431 O GLY A 31 42.422 11.936 19.138 1.00 25.00 O ATOM 0 H GLY A 31 40.412 13.231 21.530 1.00 25.00 H new ATOM 0 HA2 GLY A 31 39.540 11.244 19.618 1.00 25.00 H new ATOM 0 HA3 GLY A 31 39.440 12.990 19.503 1.00 25.00 H new ATOM 435 N GLN A 32 40.940 12.449 17.529 1.00 25.00 N ATOM 436 CA GLN A 32 41.887 12.450 16.412 1.00 25.00 C ATOM 437 C GLN A 32 43.050 13.436 16.570 1.00 25.00 C ATOM 438 O GLN A 32 44.178 13.145 16.167 1.00 25.00 O ATOM 439 CB GLN A 32 41.080 12.762 15.147 1.00 25.00 C ATOM 440 CG GLN A 32 41.789 12.556 13.811 1.00 25.00 C ATOM 441 CD GLN A 32 40.845 12.772 12.640 1.00 25.00 C ATOM 442 OE1 GLN A 32 39.671 12.406 12.697 1.00 25.00 O ATOM 443 NE2 GLN A 32 41.326 13.365 11.584 1.00 25.00 N ATOM 0 H GLN A 32 39.989 12.690 17.249 1.00 25.00 H new ATOM 0 HA GLN A 32 42.366 11.472 16.365 1.00 25.00 H new ATOM 0 HB2 GLN A 32 40.183 12.143 15.155 1.00 25.00 H new ATOM 0 HB3 GLN A 32 40.751 13.800 15.201 1.00 25.00 H new ATOM 0 HG2 GLN A 32 42.630 13.246 13.734 1.00 25.00 H new ATOM 0 HG3 GLN A 32 42.199 11.547 13.768 1.00 25.00 H new ATOM 0 HE21 GLN A 32 42.303 13.658 11.564 1.00 25.00 H new ATOM 0 HE22 GLN A 32 40.726 13.536 10.777 1.00 25.00 H new ATOM 452 N ASP A 33 42.810 14.574 17.210 1.00 25.00 N ATOM 453 CA ASP A 33 43.854 15.580 17.449 1.00 25.00 C ATOM 454 C ASP A 33 44.588 15.304 18.765 1.00 25.00 C ATOM 455 O ASP A 33 45.271 16.169 19.313 1.00 25.00 O ATOM 456 CB ASP A 33 43.248 16.990 17.496 1.00 25.00 C ATOM 457 CG ASP A 33 44.293 18.089 17.323 1.00 25.00 C ATOM 458 OD1 ASP A 33 45.251 17.906 16.534 1.00 25.00 O ATOM 459 OD2 ASP A 33 44.146 19.185 17.923 1.00 25.00 O ATOM 0 H ASP A 33 41.894 14.831 17.578 1.00 25.00 H new ATOM 0 HA ASP A 33 44.564 15.519 16.624 1.00 25.00 H new ATOM 0 HB2 ASP A 33 42.496 17.084 16.713 1.00 25.00 H new ATOM 0 HB3 ASP A 33 42.736 17.129 18.448 1.00 25.00 H new ATOM 464 N SER A 34 44.392 14.104 19.300 1.00 25.00 N ATOM 465 CA SER A 34 44.957 13.657 20.579 1.00 25.00 C ATOM 466 C SER A 34 44.603 14.608 21.718 1.00 25.00 C ATOM 467 O SER A 34 45.401 14.869 22.622 1.00 25.00 O ATOM 468 CB SER A 34 46.467 13.433 20.481 1.00 25.00 C ATOM 469 OG SER A 34 46.747 12.491 19.459 1.00 25.00 O ATOM 0 H SER A 34 43.820 13.391 18.847 1.00 25.00 H new ATOM 0 HA SER A 34 44.501 12.695 20.811 1.00 25.00 H new ATOM 0 HB2 SER A 34 46.971 14.376 20.267 1.00 25.00 H new ATOM 0 HB3 SER A 34 46.853 13.074 21.435 1.00 25.00 H new ATOM 0 HG SER A 34 47.715 12.352 19.399 1.00 25.00 H new ATOM 475 N SER A 35 43.389 15.133 21.656 1.00 25.00 N ATOM 476 CA SER A 35 42.889 16.085 22.641 1.00 25.00 C ATOM 477 C SER A 35 41.522 15.591 23.093 1.00 25.00 C ATOM 478 O SER A 35 40.794 14.993 22.295 1.00 25.00 O ATOM 479 CB SER A 35 42.801 17.469 22.000 1.00 25.00 C ATOM 480 OG SER A 35 44.070 17.846 21.478 1.00 25.00 O ATOM 0 H SER A 35 42.719 14.911 20.919 1.00 25.00 H new ATOM 0 HA SER A 35 43.551 16.162 23.503 1.00 25.00 H new ATOM 0 HB2 SER A 35 42.058 17.463 21.202 1.00 25.00 H new ATOM 0 HB3 SER A 35 42.470 18.200 22.738 1.00 25.00 H new ATOM 0 HG SER A 35 44.289 17.280 20.709 1.00 25.00 H new ATOM 486 N GLU A 36 41.192 15.759 24.365 1.00 25.00 N ATOM 487 CA GLU A 36 39.924 15.243 24.882 1.00 25.00 C ATOM 488 C GLU A 36 38.725 16.078 24.422 1.00 25.00 C ATOM 489 O GLU A 36 38.737 17.317 24.478 1.00 25.00 O ATOM 490 CB GLU A 36 39.955 15.099 26.412 1.00 25.00 C ATOM 491 CG GLU A 36 40.072 16.390 27.229 1.00 25.00 C ATOM 492 CD GLU A 36 40.034 16.144 28.731 1.00 25.00 C ATOM 493 OE1 GLU A 36 40.878 15.379 29.246 1.00 25.00 O ATOM 494 OE2 GLU A 36 39.170 16.715 29.435 1.00 25.00 O ATOM 0 H GLU A 36 41.772 16.240 25.053 1.00 25.00 H new ATOM 0 HA GLU A 36 39.795 14.247 24.459 1.00 25.00 H new ATOM 0 HB2 GLU A 36 39.047 14.583 26.722 1.00 25.00 H new ATOM 0 HB3 GLU A 36 40.794 14.454 26.675 1.00 25.00 H new ATOM 0 HG2 GLU A 36 41.004 16.894 26.972 1.00 25.00 H new ATOM 0 HG3 GLU A 36 39.259 17.063 26.955 1.00 25.00 H new ATOM 501 N ILE A 37 37.696 15.383 23.956 1.00 25.00 N ATOM 502 CA ILE A 37 36.439 15.992 23.516 1.00 25.00 C ATOM 503 C ILE A 37 35.289 15.239 24.193 1.00 25.00 C ATOM 504 O ILE A 37 35.293 14.006 24.269 1.00 25.00 O ATOM 505 CB ILE A 37 36.326 16.023 21.952 1.00 25.00 C ATOM 506 CG1 ILE A 37 36.524 14.619 21.338 1.00 25.00 C ATOM 507 CG2 ILE A 37 37.361 17.023 21.371 1.00 25.00 C ATOM 508 CD1 ILE A 37 36.333 14.517 19.822 1.00 25.00 C ATOM 0 H ILE A 37 37.707 14.367 23.870 1.00 25.00 H new ATOM 0 HA ILE A 37 36.397 17.039 23.817 1.00 25.00 H new ATOM 0 HB ILE A 37 35.320 16.352 21.691 1.00 25.00 H new ATOM 0 HG12 ILE A 37 37.530 14.276 21.582 1.00 25.00 H new ATOM 0 HG13 ILE A 37 35.828 13.932 21.819 1.00 25.00 H new ATOM 0 HG21 ILE A 37 37.279 17.041 20.284 1.00 25.00 H new ATOM 0 HG22 ILE A 37 37.166 18.020 21.766 1.00 25.00 H new ATOM 0 HG23 ILE A 37 38.366 16.711 21.654 1.00 25.00 H new ATOM 0 HD11 ILE A 37 36.497 13.488 19.503 1.00 25.00 H new ATOM 0 HD12 ILE A 37 35.319 14.821 19.562 1.00 25.00 H new ATOM 0 HD13 ILE A 37 37.047 15.170 19.321 1.00 25.00 H new ATOM 520 N HIS A 38 34.339 15.983 24.744 1.00 25.00 N ATOM 521 CA HIS A 38 33.251 15.445 25.569 1.00 25.00 C ATOM 522 C HIS A 38 31.903 15.844 24.991 1.00 25.00 C ATOM 523 O HIS A 38 31.718 16.996 24.606 1.00 25.00 O ATOM 524 CB HIS A 38 33.393 15.994 26.996 1.00 25.00 C ATOM 525 CG HIS A 38 32.107 16.078 27.764 1.00 25.00 C ATOM 526 ND1 HIS A 38 31.622 15.075 28.602 1.00 25.00 N ATOM 527 CD2 HIS A 38 31.190 17.077 27.855 1.00 25.00 C ATOM 528 CE1 HIS A 38 30.490 15.486 29.157 1.00 25.00 C ATOM 529 NE2 HIS A 38 30.204 16.685 28.712 1.00 25.00 N ATOM 0 H HIS A 38 34.297 16.996 24.632 1.00 25.00 H new ATOM 0 HA HIS A 38 33.309 14.357 25.583 1.00 25.00 H new ATOM 0 HB2 HIS A 38 34.089 15.362 27.547 1.00 25.00 H new ATOM 0 HB3 HIS A 38 33.837 16.988 26.946 1.00 25.00 H new ATOM 0 HD1 HIS A 38 32.066 14.171 28.762 1.00 25.00 H new ATOM 0 HD2 HIS A 38 31.235 18.023 27.336 1.00 25.00 H new ATOM 0 HE1 HIS A 38 29.898 14.923 29.863 1.00 25.00 H new ATOM 538 N PHE A 39 30.966 14.909 24.963 1.00 25.00 N ATOM 539 CA PHE A 39 29.609 15.145 24.480 1.00 25.00 C ATOM 540 C PHE A 39 28.665 14.366 25.388 1.00 25.00 C ATOM 541 O PHE A 39 29.119 13.487 26.129 1.00 25.00 O ATOM 542 CB PHE A 39 29.465 14.632 23.042 1.00 25.00 C ATOM 543 CG PHE A 39 30.487 15.201 22.098 1.00 25.00 C ATOM 544 CD1 PHE A 39 30.401 16.533 21.661 1.00 25.00 C ATOM 545 CD2 PHE A 39 31.566 14.409 21.670 1.00 25.00 C ATOM 546 CE1 PHE A 39 31.419 17.097 20.853 1.00 25.00 C ATOM 547 CE2 PHE A 39 32.589 14.953 20.863 1.00 25.00 C ATOM 548 CZ PHE A 39 32.524 16.307 20.466 1.00 25.00 C ATOM 0 H PHE A 39 31.126 13.952 25.278 1.00 25.00 H new ATOM 0 HA PHE A 39 29.380 16.211 24.492 1.00 25.00 H new ATOM 0 HB2 PHE A 39 29.547 13.545 23.042 1.00 25.00 H new ATOM 0 HB3 PHE A 39 28.468 14.876 22.676 1.00 25.00 H new ATOM 0 HD1 PHE A 39 29.549 17.134 21.944 1.00 25.00 H new ATOM 0 HD2 PHE A 39 31.613 13.370 21.962 1.00 25.00 H new ATOM 0 HE1 PHE A 39 31.350 18.127 20.534 1.00 25.00 H new ATOM 0 HE2 PHE A 39 33.418 14.336 20.550 1.00 25.00 H new ATOM 0 HZ PHE A 39 33.315 16.736 19.869 1.00 25.00 H new ATOM 558 N LYS A 40 27.368 14.618 25.293 1.00 25.00 N ATOM 559 CA LYS A 40 26.365 13.740 25.903 1.00 25.00 C ATOM 560 C LYS A 40 25.628 12.986 24.803 1.00 25.00 C ATOM 561 O LYS A 40 24.964 13.597 23.956 1.00 25.00 O ATOM 562 CB LYS A 40 25.385 14.520 26.774 1.00 25.00 C ATOM 563 CG LYS A 40 26.033 15.230 27.951 1.00 25.00 C ATOM 564 CD LYS A 40 24.945 15.810 28.827 1.00 25.00 C ATOM 565 CE LYS A 40 25.499 16.628 29.975 1.00 25.00 C ATOM 566 NZ LYS A 40 24.374 17.028 30.879 1.00 25.00 N ATOM 0 H LYS A 40 26.979 15.422 24.800 1.00 25.00 H new ATOM 0 HA LYS A 40 26.874 13.031 26.556 1.00 25.00 H new ATOM 0 HB2 LYS A 40 24.873 15.257 26.156 1.00 25.00 H new ATOM 0 HB3 LYS A 40 24.625 13.835 27.150 1.00 25.00 H new ATOM 0 HG2 LYS A 40 26.646 14.533 28.522 1.00 25.00 H new ATOM 0 HG3 LYS A 40 26.695 16.021 27.597 1.00 25.00 H new ATOM 0 HD2 LYS A 40 24.291 16.437 28.221 1.00 25.00 H new ATOM 0 HD3 LYS A 40 24.333 15.000 29.224 1.00 25.00 H new ATOM 0 HE2 LYS A 40 26.238 16.048 30.528 1.00 25.00 H new ATOM 0 HE3 LYS A 40 26.009 17.513 29.594 1.00 25.00 H new ATOM 0 HZ1 LYS A 40 24.748 17.590 31.670 1.00 25.00 H new ATOM 0 HZ2 LYS A 40 23.685 17.596 30.346 1.00 25.00 H new ATOM 0 HZ3 LYS A 40 23.907 16.176 31.250 1.00 25.00 H new ATOM 580 N VAL A 41 25.811 11.676 24.777 1.00 25.00 N ATOM 581 CA VAL A 41 25.345 10.811 23.685 1.00 25.00 C ATOM 582 C VAL A 41 24.751 9.542 24.281 1.00 25.00 C ATOM 583 O VAL A 41 24.935 9.294 25.468 1.00 25.00 O ATOM 584 CB VAL A 41 26.515 10.427 22.727 1.00 25.00 C ATOM 585 CG1 VAL A 41 27.032 11.655 21.964 1.00 50.00 C ATOM 586 CG2 VAL A 41 27.673 9.771 23.481 1.00 50.00 C ATOM 0 H VAL A 41 26.293 11.169 25.519 1.00 25.00 H new ATOM 0 HA VAL A 41 24.596 11.354 23.109 1.00 25.00 H new ATOM 0 HB VAL A 41 26.113 9.706 22.015 1.00 25.00 H new ATOM 0 HG11 VAL A 41 27.847 11.357 21.304 1.00 50.00 H new ATOM 0 HG12 VAL A 41 26.223 12.082 21.371 1.00 50.00 H new ATOM 0 HG13 VAL A 41 27.394 12.399 22.674 1.00 50.00 H new ATOM 0 HG21 VAL A 41 28.468 9.518 22.779 1.00 50.00 H new ATOM 0 HG22 VAL A 41 28.057 10.463 24.231 1.00 50.00 H new ATOM 0 HG23 VAL A 41 27.320 8.864 23.971 1.00 50.00 H new ATOM 596 N LYS A 42 24.054 8.730 23.497 1.00 25.00 N ATOM 597 CA LYS A 42 23.514 7.458 23.992 1.00 25.00 C ATOM 598 C LYS A 42 24.668 6.529 24.382 1.00 25.00 C ATOM 599 O LYS A 42 25.723 6.559 23.742 1.00 25.00 O ATOM 600 CB LYS A 42 22.663 6.811 22.892 1.00 25.00 C ATOM 601 CG LYS A 42 21.793 5.641 23.350 1.00 25.00 C ATOM 602 CD LYS A 42 21.054 5.035 22.172 1.00 25.00 C ATOM 603 CE LYS A 42 20.106 3.927 22.602 1.00 25.00 C ATOM 604 NZ LYS A 42 19.424 3.291 21.424 1.00 25.00 N ATOM 0 H LYS A 42 23.846 8.923 22.517 1.00 25.00 H new ATOM 0 HA LYS A 42 22.892 7.635 24.870 1.00 25.00 H new ATOM 0 HB2 LYS A 42 22.018 7.574 22.457 1.00 25.00 H new ATOM 0 HB3 LYS A 42 23.325 6.463 22.099 1.00 25.00 H new ATOM 0 HG2 LYS A 42 22.415 4.883 23.826 1.00 25.00 H new ATOM 0 HG3 LYS A 42 21.078 5.983 24.098 1.00 25.00 H new ATOM 0 HD2 LYS A 42 20.491 5.814 21.658 1.00 25.00 H new ATOM 0 HD3 LYS A 42 21.775 4.638 21.457 1.00 25.00 H new ATOM 0 HE2 LYS A 42 20.660 3.168 23.155 1.00 25.00 H new ATOM 0 HE3 LYS A 42 19.356 4.333 23.281 1.00 25.00 H new ATOM 0 HZ1 LYS A 42 18.786 2.540 21.756 1.00 25.00 H new ATOM 0 HZ2 LYS A 42 18.875 4.010 20.911 1.00 25.00 H new ATOM 0 HZ3 LYS A 42 20.138 2.882 20.789 1.00 25.00 H new ATOM 618 N MET A 43 24.460 5.693 25.393 1.00 25.00 N ATOM 619 CA MET A 43 25.432 4.675 25.795 1.00 25.00 C ATOM 620 C MET A 43 25.712 3.788 24.577 1.00 25.00 C ATOM 621 O MET A 43 24.797 3.467 23.812 1.00 25.00 O ATOM 622 CB MET A 43 24.862 3.878 26.978 1.00 25.00 C ATOM 623 CG MET A 43 25.876 3.242 27.936 1.00 25.00 C ATOM 624 SD MET A 43 26.976 2.002 27.236 1.00 25.00 S ATOM 625 CE MET A 43 25.814 0.728 26.732 1.00 25.00 C ATOM 0 H MET A 43 23.612 5.700 25.960 1.00 25.00 H new ATOM 0 HA MET A 43 26.372 5.118 26.125 1.00 25.00 H new ATOM 0 HB2 MET A 43 24.219 4.541 27.556 1.00 25.00 H new ATOM 0 HB3 MET A 43 24.228 3.086 26.580 1.00 25.00 H new ATOM 0 HG2 MET A 43 26.487 4.037 28.363 1.00 25.00 H new ATOM 0 HG3 MET A 43 25.327 2.785 28.759 1.00 25.00 H new ATOM 0 HE1 MET A 43 26.361 -0.171 26.447 1.00 25.00 H new ATOM 0 HE2 MET A 43 25.144 0.498 27.561 1.00 25.00 H new ATOM 0 HE3 MET A 43 25.231 1.083 25.882 1.00 25.00 H new ATOM 635 N THR A 44 26.976 3.480 24.340 1.00 25.00 N ATOM 636 CA THR A 44 27.445 3.009 23.040 1.00 25.00 C ATOM 637 C THR A 44 27.029 1.589 22.663 1.00 25.00 C ATOM 638 O THR A 44 26.611 0.777 23.494 1.00 25.00 O ATOM 639 CB THR A 44 28.989 3.043 23.015 1.00 25.00 C ATOM 640 OG1 THR A 44 29.493 2.294 24.121 1.00 25.00 O ATOM 641 CG2 THR A 44 29.528 4.460 23.159 1.00 25.00 C ATOM 0 H THR A 44 27.711 3.549 25.044 1.00 25.00 H new ATOM 0 HA THR A 44 26.979 3.681 22.320 1.00 25.00 H new ATOM 0 HB THR A 44 29.305 2.628 22.058 1.00 25.00 H new ATOM 0 HG1 THR A 44 30.473 2.311 24.108 1.00 25.00 H new ATOM 0 HG21 THR A 44 30.618 4.439 23.136 1.00 25.00 H new ATOM 0 HG22 THR A 44 29.160 5.075 22.337 1.00 25.00 H new ATOM 0 HG23 THR A 44 29.193 4.882 24.106 1.00 25.00 H new ATOM 649 N THR A 45 27.166 1.279 21.383 1.00 25.00 N ATOM 650 CA THR A 45 27.048 -0.091 20.897 1.00 25.00 C ATOM 651 C THR A 45 28.309 -0.853 21.291 1.00 25.00 C ATOM 652 O THR A 45 29.352 -0.245 21.558 1.00 25.00 O ATOM 653 CB THR A 45 26.905 -0.126 19.363 1.00 25.00 C ATOM 654 OG1 THR A 45 27.945 0.642 18.752 1.00 25.00 O ATOM 655 CG2 THR A 45 25.589 0.473 18.922 1.00 25.00 C ATOM 0 H THR A 45 27.361 1.965 20.653 1.00 25.00 H new ATOM 0 HA THR A 45 26.160 -0.545 21.337 1.00 25.00 H new ATOM 0 HB THR A 45 26.960 -1.172 19.061 1.00 25.00 H new ATOM 0 HG1 THR A 45 27.845 0.611 17.778 1.00 25.00 H new ATOM 0 HG21 THR A 45 25.518 0.434 17.835 1.00 25.00 H new ATOM 0 HG22 THR A 45 24.767 -0.093 19.360 1.00 25.00 H new ATOM 0 HG23 THR A 45 25.532 1.510 19.252 1.00 25.00 H new ATOM 663 N HIS A 46 28.237 -2.177 21.341 1.00 25.00 N ATOM 664 CA HIS A 46 29.415 -2.977 21.690 1.00 25.00 C ATOM 665 C HIS A 46 30.494 -2.798 20.630 1.00 25.00 C ATOM 666 O HIS A 46 30.195 -2.561 19.454 1.00 25.00 O ATOM 667 CB HIS A 46 29.057 -4.451 21.936 1.00 25.00 C ATOM 668 CG HIS A 46 28.225 -5.085 20.863 1.00 25.00 C ATOM 669 ND1 HIS A 46 27.311 -6.099 21.128 1.00 25.00 N ATOM 670 CD2 HIS A 46 28.120 -4.868 19.526 1.00 25.00 C ATOM 671 CE1 HIS A 46 26.693 -6.435 20.005 1.00 25.00 C ATOM 672 NE2 HIS A 46 27.174 -5.712 19.021 1.00 25.00 N ATOM 0 H HIS A 46 27.393 -2.717 21.149 1.00 25.00 H new ATOM 0 HA HIS A 46 29.816 -2.615 22.637 1.00 25.00 H new ATOM 0 HB2 HIS A 46 29.980 -5.021 22.044 1.00 25.00 H new ATOM 0 HB3 HIS A 46 28.522 -4.527 22.883 1.00 25.00 H new ATOM 0 HD2 HIS A 46 28.690 -4.148 18.958 1.00 25.00 H new ATOM 0 HE1 HIS A 46 25.919 -7.183 19.914 1.00 25.00 H new ATOM 0 HE2 HIS A 46 26.889 -5.771 18.043 1.00 25.00 H new ATOM 681 N LEU A 47 31.749 -2.879 21.049 1.00 25.00 N ATOM 682 CA LEU A 47 32.886 -2.481 20.219 1.00 25.00 C ATOM 683 C LEU A 47 32.939 -3.067 18.806 1.00 25.00 C ATOM 684 O LEU A 47 33.242 -2.333 17.870 1.00 25.00 O ATOM 685 CB LEU A 47 34.190 -2.770 20.969 1.00 25.00 C ATOM 686 CG LEU A 47 35.500 -2.332 20.295 1.00 25.00 C ATOM 687 CD1 LEU A 47 35.570 -0.834 20.035 1.00 75.00 C ATOM 688 CD2 LEU A 47 36.661 -2.745 21.173 1.00 75.00 C ATOM 0 H LEU A 47 32.012 -3.222 21.973 1.00 25.00 H new ATOM 0 HA LEU A 47 32.748 -1.413 20.050 1.00 25.00 H new ATOM 0 HB2 LEU A 47 34.133 -2.286 21.944 1.00 25.00 H new ATOM 0 HB3 LEU A 47 34.245 -3.844 21.149 1.00 25.00 H new ATOM 0 HG LEU A 47 35.545 -2.821 19.322 1.00 25.00 H new ATOM 0 HD11 LEU A 47 36.520 -0.592 19.558 1.00 75.00 H new ATOM 0 HD12 LEU A 47 34.749 -0.540 19.381 1.00 75.00 H new ATOM 0 HD13 LEU A 47 35.491 -0.297 20.980 1.00 75.00 H new ATOM 0 HD21 LEU A 47 37.597 -2.440 20.706 1.00 75.00 H new ATOM 0 HD22 LEU A 47 36.569 -2.266 22.148 1.00 75.00 H new ATOM 0 HD23 LEU A 47 36.655 -3.828 21.299 1.00 75.00 H new ATOM 700 N LYS A 48 32.568 -4.327 18.605 1.00 25.00 N ATOM 701 CA LYS A 48 32.524 -4.894 17.247 1.00 25.00 C ATOM 702 C LYS A 48 31.643 -4.140 16.251 1.00 25.00 C ATOM 703 O LYS A 48 31.912 -4.174 15.057 1.00 25.00 O ATOM 704 CB LYS A 48 32.114 -6.373 17.253 1.00 25.00 C ATOM 705 CG LYS A 48 30.691 -6.697 17.700 1.00 25.00 C ATOM 706 CD LYS A 48 30.454 -8.190 17.534 1.00 25.00 C ATOM 707 CE LYS A 48 29.015 -8.591 17.825 1.00 25.00 C ATOM 708 NZ LYS A 48 28.817 -10.056 17.578 1.00 25.00 N ATOM 0 H LYS A 48 32.296 -4.972 19.347 1.00 25.00 H new ATOM 0 HA LYS A 48 33.552 -4.786 16.900 1.00 25.00 H new ATOM 0 HB2 LYS A 48 32.250 -6.766 16.245 1.00 25.00 H new ATOM 0 HB3 LYS A 48 32.804 -6.913 17.902 1.00 25.00 H new ATOM 0 HG2 LYS A 48 30.546 -6.405 18.740 1.00 25.00 H new ATOM 0 HG3 LYS A 48 29.971 -6.132 17.107 1.00 25.00 H new ATOM 0 HD2 LYS A 48 30.710 -8.484 16.516 1.00 25.00 H new ATOM 0 HD3 LYS A 48 31.121 -8.736 18.201 1.00 25.00 H new ATOM 0 HE2 LYS A 48 28.768 -8.354 18.860 1.00 25.00 H new ATOM 0 HE3 LYS A 48 28.337 -8.015 17.195 1.00 25.00 H new ATOM 0 HZ1 LYS A 48 27.830 -10.312 17.782 1.00 25.00 H new ATOM 0 HZ2 LYS A 48 29.033 -10.273 16.584 1.00 25.00 H new ATOM 0 HZ3 LYS A 48 29.451 -10.601 18.197 1.00 25.00 H new ATOM 722 N LYS A 49 30.624 -3.446 16.738 1.00 25.00 N ATOM 723 CA LYS A 49 29.725 -2.643 15.904 1.00 25.00 C ATOM 724 C LYS A 49 30.158 -1.182 15.928 1.00 25.00 C ATOM 725 O LYS A 49 30.066 -0.466 14.930 1.00 25.00 O ATOM 726 CB LYS A 49 28.302 -2.789 16.447 1.00 25.00 C ATOM 727 CG LYS A 49 27.225 -2.119 15.616 1.00 25.00 C ATOM 728 CD LYS A 49 25.853 -2.416 16.195 1.00 25.00 C ATOM 729 CE LYS A 49 24.771 -1.716 15.398 1.00 25.00 C ATOM 730 NZ LYS A 49 23.413 -1.967 15.974 1.00 25.00 N ATOM 0 H LYS A 49 30.392 -3.421 17.731 1.00 25.00 H new ATOM 0 HA LYS A 49 29.761 -2.990 14.871 1.00 25.00 H new ATOM 0 HB2 LYS A 49 28.068 -3.850 16.529 1.00 25.00 H new ATOM 0 HB3 LYS A 49 28.270 -2.377 17.455 1.00 25.00 H new ATOM 0 HG2 LYS A 49 27.392 -1.042 15.592 1.00 25.00 H new ATOM 0 HG3 LYS A 49 27.277 -2.473 14.586 1.00 25.00 H new ATOM 0 HD2 LYS A 49 25.676 -3.492 16.191 1.00 25.00 H new ATOM 0 HD3 LYS A 49 25.814 -2.091 17.235 1.00 25.00 H new ATOM 0 HE2 LYS A 49 24.967 -0.644 15.381 1.00 25.00 H new ATOM 0 HE3 LYS A 49 24.798 -2.062 14.365 1.00 25.00 H new ATOM 0 HZ1 LYS A 49 22.697 -1.473 15.404 1.00 25.00 H new ATOM 0 HZ2 LYS A 49 23.216 -2.988 15.967 1.00 25.00 H new ATOM 0 HZ3 LYS A 49 23.380 -1.614 16.952 1.00 25.00 H new ATOM 744 N LEU A 50 30.688 -0.756 17.063 1.00 25.00 N ATOM 745 CA LEU A 50 31.171 0.614 17.224 1.00 25.00 C ATOM 746 C LEU A 50 32.312 0.920 16.262 1.00 25.00 C ATOM 747 O LEU A 50 32.381 2.005 15.677 1.00 25.00 O ATOM 748 CB LEU A 50 31.677 0.806 18.655 1.00 25.00 C ATOM 749 CG LEU A 50 31.958 2.246 19.099 1.00 25.00 C ATOM 750 CD1 LEU A 50 30.646 2.978 19.337 1.00 50.00 C ATOM 751 CD2 LEU A 50 32.798 2.258 20.361 1.00 50.00 C ATOM 0 H LEU A 50 30.797 -1.339 17.893 1.00 25.00 H new ATOM 0 HA LEU A 50 30.343 1.289 17.010 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.942 0.377 19.336 1.00 25.00 H new ATOM 0 HB3 LEU A 50 32.594 0.229 18.772 1.00 25.00 H new ATOM 0 HG LEU A 50 32.513 2.754 18.310 1.00 25.00 H new ATOM 0 HD11 LEU A 50 30.852 4.001 19.652 1.00 50.00 H new ATOM 0 HD12 LEU A 50 30.065 2.993 18.415 1.00 50.00 H new ATOM 0 HD13 LEU A 50 30.079 2.466 20.115 1.00 50.00 H new ATOM 0 HD21 LEU A 50 32.988 3.288 20.662 1.00 50.00 H new ATOM 0 HD22 LEU A 50 32.265 1.740 21.158 1.00 50.00 H new ATOM 0 HD23 LEU A 50 33.746 1.755 20.172 1.00 50.00 H new ATOM 763 N LYS A 51 33.202 -0.046 16.070 1.00 25.00 N ATOM 764 CA LYS A 51 34.328 0.136 15.154 1.00 25.00 C ATOM 765 C LYS A 51 33.883 0.169 13.699 1.00 25.00 C ATOM 766 O LYS A 51 34.528 0.809 12.879 1.00 25.00 O ATOM 767 CB LYS A 51 35.416 -0.924 15.380 1.00 25.00 C ATOM 768 CG LYS A 51 35.072 -2.355 14.979 1.00 25.00 C ATOM 769 CD LYS A 51 36.256 -3.272 15.250 1.00 25.00 C ATOM 770 CE LYS A 51 36.010 -4.687 14.742 1.00 25.00 C ATOM 771 NZ LYS A 51 37.210 -5.544 14.998 1.00 25.00 N ATOM 0 H LYS A 51 33.170 -0.956 16.530 1.00 25.00 H new ATOM 0 HA LYS A 51 34.762 1.110 15.378 1.00 25.00 H new ATOM 0 HB2 LYS A 51 36.306 -0.621 14.829 1.00 25.00 H new ATOM 0 HB3 LYS A 51 35.680 -0.921 16.438 1.00 25.00 H new ATOM 0 HG2 LYS A 51 34.201 -2.698 15.537 1.00 25.00 H new ATOM 0 HG3 LYS A 51 34.808 -2.391 13.922 1.00 25.00 H new ATOM 0 HD2 LYS A 51 37.147 -2.865 14.772 1.00 25.00 H new ATOM 0 HD3 LYS A 51 36.454 -3.301 16.321 1.00 25.00 H new ATOM 0 HE2 LYS A 51 35.138 -5.113 15.238 1.00 25.00 H new ATOM 0 HE3 LYS A 51 35.791 -4.665 13.674 1.00 25.00 H new ATOM 0 HZ1 LYS A 51 37.030 -6.506 14.647 1.00 25.00 H new ATOM 0 HZ2 LYS A 51 38.034 -5.144 14.505 1.00 25.00 H new ATOM 0 HZ3 LYS A 51 37.401 -5.578 16.020 1.00 25.00 H new ATOM 785 N GLU A 52 32.762 -0.457 13.370 1.00 25.00 N ATOM 786 CA GLU A 52 32.246 -0.393 12.002 1.00 25.00 C ATOM 787 C GLU A 52 31.750 1.027 11.749 1.00 25.00 C ATOM 788 O GLU A 52 32.063 1.626 10.721 1.00 25.00 O ATOM 789 CB GLU A 52 31.119 -1.406 11.779 1.00 25.00 C ATOM 790 CG GLU A 52 31.589 -2.847 11.883 1.00 25.00 C ATOM 791 CD GLU A 52 30.475 -3.865 11.679 1.00 25.00 C ATOM 792 OE1 GLU A 52 29.395 -3.762 12.301 1.00 25.00 O ATOM 793 OE2 GLU A 52 30.678 -4.814 10.882 1.00 25.00 O ATOM 0 H GLU A 52 32.197 -1.008 14.017 1.00 25.00 H new ATOM 0 HA GLU A 52 33.042 -0.647 11.302 1.00 25.00 H new ATOM 0 HB2 GLU A 52 30.331 -1.232 12.512 1.00 25.00 H new ATOM 0 HB3 GLU A 52 30.680 -1.243 10.795 1.00 25.00 H new ATOM 0 HG2 GLU A 52 32.369 -3.021 11.142 1.00 25.00 H new ATOM 0 HG3 GLU A 52 32.039 -3.004 12.863 1.00 25.00 H new ATOM 800 N SER A 53 31.053 1.613 12.715 1.00 25.00 N ATOM 801 CA SER A 53 30.591 2.992 12.567 1.00 25.00 C ATOM 802 C SER A 53 31.773 3.948 12.433 1.00 25.00 C ATOM 803 O SER A 53 31.777 4.864 11.602 1.00 25.00 O ATOM 804 CB SER A 53 29.756 3.398 13.782 1.00 25.00 C ATOM 805 OG SER A 53 28.733 2.451 14.028 1.00 25.00 O ATOM 0 H SER A 53 30.797 1.166 13.596 1.00 25.00 H new ATOM 0 HA SER A 53 29.983 3.049 11.664 1.00 25.00 H new ATOM 0 HB2 SER A 53 30.398 3.482 14.659 1.00 25.00 H new ATOM 0 HB3 SER A 53 29.315 4.381 13.614 1.00 25.00 H new ATOM 0 HG SER A 53 28.212 2.728 14.810 1.00 25.00 H new ATOM 811 N TYR A 54 32.799 3.717 13.238 1.00 25.00 N ATOM 812 CA TYR A 54 33.989 4.558 13.212 1.00 25.00 C ATOM 813 C TYR A 54 34.776 4.435 11.904 1.00 25.00 C ATOM 814 O TYR A 54 35.265 5.432 11.383 1.00 25.00 O ATOM 815 CB TYR A 54 34.871 4.229 14.418 1.00 25.00 C ATOM 816 CG TYR A 54 35.915 5.289 14.699 1.00 25.00 C ATOM 817 CD1 TYR A 54 35.537 6.601 15.061 1.00 25.00 C ATOM 818 CD2 TYR A 54 37.285 4.990 14.607 1.00 25.00 C ATOM 819 CE1 TYR A 54 36.520 7.605 15.285 1.00 25.00 C ATOM 820 CE2 TYR A 54 38.267 5.990 14.840 1.00 25.00 C ATOM 821 CZ TYR A 54 37.873 7.288 15.164 1.00 25.00 C ATOM 822 OH TYR A 54 38.818 8.263 15.350 1.00 25.00 O ATOM 0 H TYR A 54 32.833 2.956 13.916 1.00 25.00 H new ATOM 0 HA TYR A 54 33.663 5.597 13.269 1.00 25.00 H new ATOM 0 HB2 TYR A 54 34.241 4.106 15.299 1.00 25.00 H new ATOM 0 HB3 TYR A 54 35.368 3.274 14.247 1.00 25.00 H new ATOM 0 HD1 TYR A 54 34.490 6.845 15.169 1.00 25.00 H new ATOM 0 HD2 TYR A 54 37.596 3.987 14.356 1.00 25.00 H new ATOM 0 HE1 TYR A 54 36.220 8.609 15.548 1.00 25.00 H new ATOM 0 HE2 TYR A 54 39.316 5.745 14.766 1.00 25.00 H new ATOM 0 HH TYR A 54 39.712 7.879 15.232 1.00 25.00 H new ATOM 832 N CYS A 55 34.862 3.253 11.308 1.00 25.00 N ATOM 833 CA CYS A 55 35.598 3.127 10.050 1.00 25.00 C ATOM 834 C CYS A 55 34.895 3.874 8.920 1.00 25.00 C ATOM 835 O CYS A 55 35.537 4.513 8.087 1.00 25.00 O ATOM 836 CB CYS A 55 35.837 1.661 9.677 1.00 25.00 C ATOM 837 SG CYS A 55 34.462 0.708 8.978 1.00 25.00 S ATOM 0 H CYS A 55 34.447 2.390 11.659 1.00 25.00 H new ATOM 0 HA CYS A 55 36.574 3.588 10.200 1.00 25.00 H new ATOM 0 HB2 CYS A 55 36.658 1.631 8.961 1.00 25.00 H new ATOM 0 HB3 CYS A 55 36.177 1.143 10.573 1.00 25.00 H new ATOM 0 HG CYS A 55 33.367 0.991 9.620 1.00 25.00 H new ATOM 842 N GLN A 56 33.568 3.876 8.942 1.00 25.00 N ATOM 843 CA GLN A 56 32.798 4.622 7.950 1.00 25.00 C ATOM 844 C GLN A 56 32.979 6.126 8.145 1.00 25.00 C ATOM 845 O GLN A 56 32.974 6.885 7.173 1.00 25.00 O ATOM 846 CB GLN A 56 31.312 4.259 8.040 1.00 25.00 C ATOM 847 CG GLN A 56 30.981 2.813 7.661 1.00 25.00 C ATOM 848 CD GLN A 56 31.331 2.478 6.227 1.00 25.00 C ATOM 849 OE1 GLN A 56 30.834 3.085 5.282 1.00 25.00 O ATOM 850 NE2 GLN A 56 32.199 1.522 6.048 1.00 25.00 N ATOM 0 H GLN A 56 33.005 3.375 9.629 1.00 25.00 H new ATOM 0 HA GLN A 56 33.168 4.351 6.961 1.00 25.00 H new ATOM 0 HB2 GLN A 56 30.969 4.441 9.059 1.00 25.00 H new ATOM 0 HB3 GLN A 56 30.749 4.928 7.390 1.00 25.00 H new ATOM 0 HG2 GLN A 56 31.518 2.138 8.327 1.00 25.00 H new ATOM 0 HG3 GLN A 56 29.917 2.637 7.819 1.00 25.00 H new ATOM 0 HE21 GLN A 56 32.595 1.035 6.852 1.00 25.00 H new ATOM 0 HE22 GLN A 56 32.482 1.261 5.104 1.00 25.00 H new ATOM 859 N ARG A 57 33.178 6.559 9.384 1.00 25.00 N ATOM 860 CA ARG A 57 33.452 7.969 9.687 1.00 25.00 C ATOM 861 C ARG A 57 34.838 8.386 9.197 1.00 25.00 C ATOM 862 O ARG A 57 34.991 9.441 8.578 1.00 25.00 O ATOM 863 CB ARG A 57 33.351 8.187 11.204 1.00 25.00 C ATOM 864 CG ARG A 57 33.419 9.631 11.689 1.00 25.00 C ATOM 865 CD ARG A 57 33.406 9.635 13.216 1.00 25.00 C ATOM 866 NE ARG A 57 33.299 10.978 13.806 1.00 25.00 N ATOM 867 CZ ARG A 57 34.295 11.793 14.127 1.00 25.00 C ATOM 868 NH1 ARG A 57 35.554 11.553 13.868 1.00 25.00 N ATOM 869 NH2 ARG A 57 34.006 12.910 14.730 1.00 25.00 N ATOM 0 H ARG A 57 33.156 5.953 10.204 1.00 25.00 H new ATOM 0 HA ARG A 57 32.715 8.583 9.169 1.00 25.00 H new ATOM 0 HB2 ARG A 57 32.412 7.755 11.549 1.00 25.00 H new ATOM 0 HB3 ARG A 57 34.154 7.628 11.683 1.00 25.00 H new ATOM 0 HG2 ARG A 57 34.324 10.112 11.317 1.00 25.00 H new ATOM 0 HG3 ARG A 57 32.573 10.200 11.302 1.00 25.00 H new ATOM 0 HD2 ARG A 57 32.570 9.028 13.564 1.00 25.00 H new ATOM 0 HD3 ARG A 57 34.318 9.161 13.579 1.00 25.00 H new ATOM 0 HE ARG A 57 32.356 11.320 13.988 1.00 25.00 H new ATOM 0 HH11 ARG A 57 35.821 10.693 13.389 1.00 25.00 H new ATOM 0 HH12 ARG A 57 36.269 12.226 14.144 1.00 25.00 H new ATOM 0 HH21 ARG A 57 33.035 13.138 14.943 1.00 25.00 H new ATOM 0 HH22 ARG A 57 34.751 13.557 14.989 1.00 25.00 H new ATOM 883 N GLN A 58 35.852 7.576 9.472 1.00 25.00 N ATOM 884 CA GLN A 58 37.232 7.956 9.159 1.00 25.00 C ATOM 885 C GLN A 58 37.654 7.677 7.714 1.00 25.00 C ATOM 886 O GLN A 58 38.656 8.222 7.245 1.00 25.00 O ATOM 887 CB GLN A 58 38.208 7.237 10.099 1.00 25.00 C ATOM 888 CG GLN A 58 38.008 7.490 11.598 1.00 25.00 C ATOM 889 CD GLN A 58 38.088 8.950 11.995 1.00 25.00 C ATOM 890 OE1 GLN A 58 37.080 9.653 12.042 1.00 25.00 O ATOM 891 NE2 GLN A 58 39.274 9.426 12.272 1.00 25.00 N ATOM 0 H GLN A 58 35.752 6.659 9.907 1.00 25.00 H new ATOM 0 HA GLN A 58 37.268 9.036 9.298 1.00 25.00 H new ATOM 0 HB2 GLN A 58 38.132 6.165 9.919 1.00 25.00 H new ATOM 0 HB3 GLN A 58 39.223 7.534 9.833 1.00 25.00 H new ATOM 0 HG2 GLN A 58 37.036 7.096 11.895 1.00 25.00 H new ATOM 0 HG3 GLN A 58 38.762 6.932 12.153 1.00 25.00 H new ATOM 0 HE21 GLN A 58 40.092 8.818 12.224 1.00 25.00 H new ATOM 0 HE22 GLN A 58 39.382 10.405 12.536 1.00 25.00 H new ATOM 900 N GLY A 59 36.918 6.833 7.004 1.00 25.00 N ATOM 901 CA GLY A 59 37.204 6.569 5.600 1.00 25.00 C ATOM 902 C GLY A 59 38.339 5.592 5.341 1.00 25.00 C ATOM 903 O GLY A 59 38.822 5.481 4.212 1.00 25.00 O ATOM 0 H GLY A 59 36.119 6.320 7.376 1.00 25.00 H new ATOM 0 HA2 GLY A 59 36.300 6.184 5.128 1.00 25.00 H new ATOM 0 HA3 GLY A 59 37.441 7.514 5.111 1.00 25.00 H new ATOM 907 N VAL A 60 38.779 4.890 6.376 1.00 25.00 N ATOM 908 CA VAL A 60 39.852 3.893 6.283 1.00 25.00 C ATOM 909 C VAL A 60 39.259 2.662 6.962 1.00 25.00 C ATOM 910 O VAL A 60 38.295 2.817 7.719 1.00 25.00 O ATOM 911 CB VAL A 60 41.185 4.376 6.938 1.00 25.00 C ATOM 912 CG1 VAL A 60 41.768 5.552 6.157 1.00 50.00 C ATOM 913 CG2 VAL A 60 41.002 4.772 8.400 1.00 50.00 C ATOM 0 H VAL A 60 38.401 4.993 7.318 1.00 25.00 H new ATOM 0 HA VAL A 60 40.147 3.691 5.253 1.00 25.00 H new ATOM 0 HB VAL A 60 41.877 3.534 6.906 1.00 25.00 H new ATOM 0 HG11 VAL A 60 42.697 5.876 6.627 1.00 50.00 H new ATOM 0 HG12 VAL A 60 41.969 5.244 5.131 1.00 50.00 H new ATOM 0 HG13 VAL A 60 41.055 6.377 6.155 1.00 50.00 H new ATOM 0 HG21 VAL A 60 41.957 5.100 8.810 1.00 50.00 H new ATOM 0 HG22 VAL A 60 40.279 5.584 8.469 1.00 50.00 H new ATOM 0 HG23 VAL A 60 40.639 3.914 8.967 1.00 50.00 H new ATOM 923 N PRO A 61 39.757 1.445 6.678 1.00 25.00 N ATOM 924 CA PRO A 61 39.069 0.295 7.279 1.00 25.00 C ATOM 925 C PRO A 61 39.297 0.147 8.783 1.00 25.00 C ATOM 926 O PRO A 61 40.263 0.675 9.336 1.00 25.00 O ATOM 927 CB PRO A 61 39.669 -0.885 6.513 1.00 25.00 C ATOM 928 CG PRO A 61 41.036 -0.453 6.208 1.00 25.00 C ATOM 929 CD PRO A 61 40.869 0.994 5.818 1.00 25.00 C ATOM 0 HA PRO A 61 37.986 0.387 7.200 1.00 25.00 H new ATOM 0 HB2 PRO A 61 39.663 -1.795 7.113 1.00 25.00 H new ATOM 0 HB3 PRO A 61 39.106 -1.099 5.604 1.00 25.00 H new ATOM 0 HG2 PRO A 61 41.694 -0.563 7.070 1.00 25.00 H new ATOM 0 HG3 PRO A 61 41.471 -1.039 5.399 1.00 25.00 H new ATOM 0 HD2 PRO A 61 41.778 1.568 5.999 1.00 25.00 H new ATOM 0 HD3 PRO A 61 40.630 1.102 4.760 1.00 25.00 H new ATOM 937 N MET A 62 38.433 -0.612 9.447 1.00 25.00 N ATOM 938 CA MET A 62 38.518 -0.787 10.904 1.00 25.00 C ATOM 939 C MET A 62 39.773 -1.537 11.347 1.00 25.00 C ATOM 940 O MET A 62 40.212 -1.408 12.485 1.00 25.00 O ATOM 941 CB MET A 62 37.248 -1.463 11.447 1.00 25.00 C ATOM 942 CG MET A 62 36.976 -2.863 10.942 1.00 25.00 C ATOM 943 SD MET A 62 35.299 -3.371 11.345 1.00 25.00 S ATOM 944 CE MET A 62 35.203 -4.999 10.590 1.00 25.00 C ATOM 0 H MET A 62 37.665 -1.118 9.007 1.00 25.00 H new ATOM 0 HA MET A 62 38.595 0.212 11.333 1.00 25.00 H new ATOM 0 HB2 MET A 62 37.314 -1.497 12.534 1.00 25.00 H new ATOM 0 HB3 MET A 62 36.392 -0.836 11.199 1.00 25.00 H new ATOM 0 HG2 MET A 62 37.123 -2.900 9.863 1.00 25.00 H new ATOM 0 HG3 MET A 62 37.688 -3.559 11.385 1.00 25.00 H new ATOM 0 HE1 MET A 62 34.215 -5.424 10.766 1.00 25.00 H new ATOM 0 HE2 MET A 62 35.375 -4.913 9.517 1.00 25.00 H new ATOM 0 HE3 MET A 62 35.961 -5.649 11.028 1.00 25.00 H new ATOM 954 N ASN A 63 40.407 -2.242 10.419 1.00 25.00 N ATOM 955 CA ASN A 63 41.722 -2.843 10.644 1.00 25.00 C ATOM 956 C ASN A 63 42.824 -1.822 10.945 1.00 25.00 C ATOM 957 O ASN A 63 43.796 -2.136 11.632 1.00 25.00 O ATOM 958 CB ASN A 63 42.129 -3.612 9.383 1.00 25.00 C ATOM 959 CG ASN A 63 43.411 -4.383 9.563 1.00 25.00 C ATOM 960 OD1 ASN A 63 43.556 -5.176 10.487 1.00 25.00 O ATOM 961 ND2 ASN A 63 44.350 -4.161 8.687 1.00 25.00 N ATOM 0 H ASN A 63 40.027 -2.415 9.488 1.00 25.00 H new ATOM 0 HA ASN A 63 41.625 -3.487 11.518 1.00 25.00 H new ATOM 0 HB2 ASN A 63 41.330 -4.301 9.109 1.00 25.00 H new ATOM 0 HB3 ASN A 63 42.244 -2.911 8.556 1.00 25.00 H new ATOM 0 HD21 ASN A 63 45.240 -4.654 8.757 1.00 25.00 H new ATOM 0 HD22 ASN A 63 44.195 -3.494 7.931 1.00 25.00 H new ATOM 968 N SER A 64 42.684 -0.608 10.427 1.00 25.00 N ATOM 969 CA SER A 64 43.711 0.433 10.533 1.00 25.00 C ATOM 970 C SER A 64 43.533 1.348 11.741 1.00 25.00 C ATOM 971 O SER A 64 44.282 2.321 11.915 1.00 25.00 O ATOM 972 CB SER A 64 43.676 1.292 9.268 1.00 25.00 C ATOM 973 OG SER A 64 43.909 0.495 8.116 1.00 25.00 O ATOM 0 H SER A 64 41.851 -0.312 9.918 1.00 25.00 H new ATOM 0 HA SER A 64 44.665 -0.080 10.655 1.00 25.00 H new ATOM 0 HB2 SER A 64 42.708 1.787 9.185 1.00 25.00 H new ATOM 0 HB3 SER A 64 44.431 2.076 9.333 1.00 25.00 H new ATOM 0 HG SER A 64 43.881 1.060 7.316 1.00 25.00 H new ATOM 979 N LEU A 65 42.531 1.064 12.558 1.00 25.00 N ATOM 980 CA LEU A 65 42.138 1.926 13.671 1.00 25.00 C ATOM 981 C LEU A 65 41.974 1.076 14.927 1.00 25.00 C ATOM 982 O LEU A 65 41.703 -0.123 14.813 1.00 25.00 O ATOM 983 CB LEU A 65 40.788 2.564 13.311 1.00 25.00 C ATOM 984 CG LEU A 65 40.752 3.492 12.084 1.00 25.00 C ATOM 985 CD1 LEU A 65 39.318 3.766 11.665 1.00 50.00 C ATOM 986 CD2 LEU A 65 41.476 4.813 12.346 1.00 50.00 C ATOM 0 H LEU A 65 41.961 0.223 12.470 1.00 25.00 H new ATOM 0 HA LEU A 65 42.891 2.693 13.852 1.00 25.00 H new ATOM 0 HB2 LEU A 65 40.068 1.762 13.149 1.00 25.00 H new ATOM 0 HB3 LEU A 65 40.442 3.132 14.174 1.00 25.00 H new ATOM 0 HG LEU A 65 41.273 2.978 11.277 1.00 25.00 H new ATOM 0 HD11 LEU A 65 39.312 4.424 10.796 1.00 50.00 H new ATOM 0 HD12 LEU A 65 38.827 2.826 11.412 1.00 50.00 H new ATOM 0 HD13 LEU A 65 38.784 4.245 12.486 1.00 50.00 H new ATOM 0 HD21 LEU A 65 41.427 5.438 11.454 1.00 50.00 H new ATOM 0 HD22 LEU A 65 40.999 5.330 13.179 1.00 50.00 H new ATOM 0 HD23 LEU A 65 42.519 4.614 12.592 1.00 50.00 H new ATOM 998 N ARG A 66 42.085 1.669 16.110 1.00 25.00 N ATOM 999 CA ARG A 66 41.681 0.997 17.347 1.00 25.00 C ATOM 1000 C ARG A 66 41.184 1.954 18.420 1.00 25.00 C ATOM 1001 O ARG A 66 41.761 3.022 18.634 1.00 25.00 O ATOM 1002 CB ARG A 66 42.831 0.172 17.933 1.00 25.00 C ATOM 1003 CG ARG A 66 42.423 -1.273 18.154 1.00 25.00 C ATOM 1004 CD ARG A 66 43.509 -2.101 18.808 1.00 25.00 C ATOM 1005 NE ARG A 66 43.023 -3.469 19.045 1.00 25.00 N ATOM 1006 CZ ARG A 66 43.161 -4.514 18.239 1.00 25.00 C ATOM 1007 NH1 ARG A 66 43.811 -4.500 17.105 1.00 25.00 N ATOM 1008 NH2 ARG A 66 42.622 -5.639 18.604 1.00 25.00 N ATOM 0 H ARG A 66 42.450 2.612 16.242 1.00 25.00 H new ATOM 0 HA ARG A 66 40.854 0.348 17.060 1.00 25.00 H new ATOM 0 HB2 ARG A 66 43.687 0.210 17.260 1.00 25.00 H new ATOM 0 HB3 ARG A 66 43.149 0.610 18.879 1.00 25.00 H new ATOM 0 HG2 ARG A 66 41.528 -1.301 18.776 1.00 25.00 H new ATOM 0 HG3 ARG A 66 42.160 -1.721 17.196 1.00 25.00 H new ATOM 0 HD2 ARG A 66 44.393 -2.125 18.171 1.00 25.00 H new ATOM 0 HD3 ARG A 66 43.808 -1.644 19.751 1.00 25.00 H new ATOM 0 HE ARG A 66 42.528 -3.631 19.922 1.00 25.00 H new ATOM 0 HH11 ARG A 66 44.258 -3.641 16.784 1.00 25.00 H new ATOM 0 HH12 ARG A 66 43.872 -5.348 16.541 1.00 25.00 H new ATOM 0 HH21 ARG A 66 42.113 -5.698 19.486 1.00 25.00 H new ATOM 0 HH22 ARG A 66 42.708 -6.463 18.009 1.00 25.00 H new ATOM 1022 N PHE A 67 40.140 1.533 19.116 1.00 25.00 N ATOM 1023 CA PHE A 67 39.741 2.160 20.370 1.00 25.00 C ATOM 1024 C PHE A 67 40.640 1.532 21.428 1.00 25.00 C ATOM 1025 O PHE A 67 40.908 0.326 21.384 1.00 25.00 O ATOM 1026 CB PHE A 67 38.282 1.843 20.715 1.00 25.00 C ATOM 1027 CG PHE A 67 37.273 2.597 19.883 1.00 25.00 C ATOM 1028 CD1 PHE A 67 36.902 2.146 18.603 1.00 25.00 C ATOM 1029 CD2 PHE A 67 36.672 3.763 20.392 1.00 25.00 C ATOM 1030 CE1 PHE A 67 35.954 2.858 17.824 1.00 25.00 C ATOM 1031 CE2 PHE A 67 35.717 4.483 19.627 1.00 25.00 C ATOM 1032 CZ PHE A 67 35.363 4.032 18.336 1.00 25.00 C ATOM 0 H PHE A 67 39.548 0.753 18.832 1.00 25.00 H new ATOM 0 HA PHE A 67 39.832 3.244 20.309 1.00 25.00 H new ATOM 0 HB2 PHE A 67 38.114 0.773 20.588 1.00 25.00 H new ATOM 0 HB3 PHE A 67 38.111 2.070 21.767 1.00 25.00 H new ATOM 0 HD1 PHE A 67 37.346 1.244 18.208 1.00 25.00 H new ATOM 0 HD2 PHE A 67 36.941 4.115 21.377 1.00 25.00 H new ATOM 0 HE1 PHE A 67 35.685 2.502 16.841 1.00 25.00 H new ATOM 0 HE2 PHE A 67 35.262 5.375 20.032 1.00 25.00 H new ATOM 0 HZ PHE A 67 34.645 4.582 17.745 1.00 25.00 H new ATOM 1042 N LEU A 68 41.087 2.335 22.378 1.00 25.00 N ATOM 1043 CA LEU A 68 41.894 1.880 23.503 1.00 25.00 C ATOM 1044 C LEU A 68 41.211 2.406 24.757 1.00 25.00 C ATOM 1045 O LEU A 68 40.533 3.433 24.708 1.00 25.00 O ATOM 1046 CB LEU A 68 43.317 2.448 23.411 1.00 25.00 C ATOM 1047 CG LEU A 68 44.182 2.055 22.199 1.00 25.00 C ATOM 1048 CD1 LEU A 68 45.484 2.856 22.222 1.00 50.00 C ATOM 1049 CD2 LEU A 68 44.507 0.559 22.161 1.00 50.00 C ATOM 0 H LEU A 68 40.898 3.337 22.392 1.00 25.00 H new ATOM 0 HA LEU A 68 41.974 0.793 23.511 1.00 25.00 H new ATOM 0 HB2 LEU A 68 43.243 3.535 23.428 1.00 25.00 H new ATOM 0 HB3 LEU A 68 43.853 2.151 24.312 1.00 25.00 H new ATOM 0 HG LEU A 68 43.604 2.283 21.304 1.00 25.00 H new ATOM 0 HD11 LEU A 68 46.097 2.579 21.365 1.00 50.00 H new ATOM 0 HD12 LEU A 68 45.257 3.921 22.176 1.00 50.00 H new ATOM 0 HD13 LEU A 68 46.028 2.640 23.142 1.00 50.00 H new ATOM 0 HD21 LEU A 68 45.119 0.342 21.285 1.00 50.00 H new ATOM 0 HD22 LEU A 68 45.053 0.282 23.063 1.00 50.00 H new ATOM 0 HD23 LEU A 68 43.581 -0.013 22.108 1.00 50.00 H new ATOM 1061 N PHE A 69 41.410 1.730 25.877 1.00 25.00 N ATOM 1062 CA PHE A 69 40.888 2.181 27.163 1.00 25.00 C ATOM 1063 C PHE A 69 42.035 2.174 28.158 1.00 25.00 C ATOM 1064 O PHE A 69 42.704 1.146 28.311 1.00 25.00 O ATOM 1065 CB PHE A 69 39.773 1.258 27.644 1.00 25.00 C ATOM 1066 CG PHE A 69 39.177 1.688 28.946 1.00 25.00 C ATOM 1067 CD1 PHE A 69 38.307 2.784 28.976 1.00 25.00 C ATOM 1068 CD2 PHE A 69 39.519 1.045 30.148 1.00 25.00 C ATOM 1069 CE1 PHE A 69 37.822 3.291 30.195 1.00 25.00 C ATOM 1070 CE2 PHE A 69 39.039 1.536 31.384 1.00 25.00 C ATOM 1071 CZ PHE A 69 38.211 2.681 31.408 1.00 25.00 C ATOM 0 H PHE A 69 41.935 0.857 25.924 1.00 25.00 H new ATOM 0 HA PHE A 69 40.471 3.183 27.065 1.00 25.00 H new ATOM 0 HB2 PHE A 69 38.989 1.220 26.887 1.00 25.00 H new ATOM 0 HB3 PHE A 69 40.166 0.247 27.747 1.00 25.00 H new ATOM 0 HD1 PHE A 69 38.003 3.247 28.049 1.00 25.00 H new ATOM 0 HD2 PHE A 69 40.152 0.170 30.127 1.00 25.00 H new ATOM 0 HE1 PHE A 69 37.156 4.141 30.203 1.00 25.00 H new ATOM 0 HE2 PHE A 69 39.304 1.038 32.305 1.00 25.00 H new ATOM 0 HZ PHE A 69 37.877 3.088 32.351 1.00 25.00 H new ATOM 1081 N GLU A 70 42.301 3.326 28.765 1.00 25.00 N ATOM 1082 CA GLU A 70 43.466 3.543 29.639 1.00 25.00 C ATOM 1083 C GLU A 70 44.777 3.112 28.956 1.00 25.00 C ATOM 1084 O GLU A 70 45.710 2.622 29.586 1.00 25.00 O ATOM 1085 CB GLU A 70 43.276 2.840 30.993 1.00 25.00 C ATOM 1086 CG GLU A 70 42.096 3.372 31.803 1.00 25.00 C ATOM 1087 CD GLU A 70 41.883 2.607 33.106 1.00 25.00 C ATOM 1088 OE1 GLU A 70 42.483 1.517 33.295 1.00 25.00 O ATOM 1089 OE2 GLU A 70 41.098 3.080 33.964 1.00 25.00 O ATOM 0 H GLU A 70 41.710 4.151 28.667 1.00 25.00 H new ATOM 0 HA GLU A 70 43.543 4.614 29.828 1.00 25.00 H new ATOM 0 HB2 GLU A 70 43.135 1.773 30.821 1.00 25.00 H new ATOM 0 HB3 GLU A 70 44.187 2.951 31.580 1.00 25.00 H new ATOM 0 HG2 GLU A 70 42.261 4.426 32.028 1.00 25.00 H new ATOM 0 HG3 GLU A 70 41.190 3.313 31.200 1.00 25.00 H new ATOM 1096 N GLY A 71 44.833 3.288 27.642 1.00 25.00 N ATOM 1097 CA GLY A 71 46.002 2.930 26.853 1.00 25.00 C ATOM 1098 C GLY A 71 46.130 1.481 26.421 1.00 25.00 C ATOM 1099 O GLY A 71 47.074 1.138 25.705 1.00 25.00 O ATOM 0 H GLY A 71 44.069 3.683 27.094 1.00 25.00 H new ATOM 0 HA2 GLY A 71 46.008 3.551 25.957 1.00 25.00 H new ATOM 0 HA3 GLY A 71 46.890 3.191 27.428 1.00 25.00 H new ATOM 1103 N GLN A 72 45.207 0.622 26.829 1.00 25.00 N ATOM 1104 CA GLN A 72 45.279 -0.809 26.529 1.00 25.00 C ATOM 1105 C GLN A 72 44.162 -1.234 25.582 1.00 25.00 C ATOM 1106 O GLN A 72 43.130 -0.567 25.484 1.00 25.00 O ATOM 1107 CB GLN A 72 45.172 -1.610 27.831 1.00 25.00 C ATOM 1108 CG GLN A 72 46.291 -1.355 28.849 1.00 25.00 C ATOM 1109 CD GLN A 72 47.653 -1.852 28.393 1.00 25.00 C ATOM 1110 OE1 GLN A 72 47.770 -2.701 27.514 1.00 25.00 O ATOM 1111 NE2 GLN A 72 48.692 -1.348 28.999 1.00 25.00 N ATOM 0 H GLN A 72 44.389 0.891 27.375 1.00 25.00 H new ATOM 0 HA GLN A 72 46.234 -1.007 26.043 1.00 25.00 H new ATOM 0 HB2 GLN A 72 44.216 -1.382 28.302 1.00 25.00 H new ATOM 0 HB3 GLN A 72 45.161 -2.672 27.586 1.00 25.00 H new ATOM 0 HG2 GLN A 72 46.352 -0.285 29.049 1.00 25.00 H new ATOM 0 HG3 GLN A 72 46.033 -1.841 29.790 1.00 25.00 H new ATOM 0 HE21 GLN A 72 48.566 -0.644 29.726 1.00 25.00 H new ATOM 0 HE22 GLN A 72 49.630 -1.658 28.746 1.00 25.00 H new ATOM 1120 N ARG A 73 44.362 -2.351 24.896 1.00 25.00 N ATOM 1121 CA ARG A 73 43.364 -2.895 23.972 1.00 25.00 C ATOM 1122 C ARG A 73 42.180 -3.420 24.773 1.00 25.00 C ATOM 1123 O ARG A 73 42.350 -3.847 25.922 1.00 25.00 O ATOM 1124 CB ARG A 73 43.966 -4.044 23.153 1.00 25.00 C ATOM 1125 CG ARG A 73 45.035 -3.623 22.150 1.00 25.00 C ATOM 1126 CD ARG A 73 45.489 -4.808 21.296 1.00 25.00 C ATOM 1127 NE ARG A 73 46.384 -4.373 20.214 1.00 25.00 N ATOM 1128 CZ ARG A 73 46.935 -5.131 19.275 1.00 25.00 C ATOM 1129 NH1 ARG A 73 46.752 -6.416 19.156 1.00 25.00 N ATOM 1130 NH2 ARG A 73 47.697 -4.556 18.392 1.00 25.00 N ATOM 0 H ARG A 73 45.215 -2.907 24.960 1.00 25.00 H new ATOM 0 HA ARG A 73 43.041 -2.107 23.292 1.00 25.00 H new ATOM 0 HB2 ARG A 73 44.398 -4.773 23.839 1.00 25.00 H new ATOM 0 HB3 ARG A 73 43.163 -4.549 22.616 1.00 25.00 H new ATOM 0 HG2 ARG A 73 44.643 -2.836 21.506 1.00 25.00 H new ATOM 0 HG3 ARG A 73 45.890 -3.205 22.680 1.00 25.00 H new ATOM 0 HD2 ARG A 73 46.001 -5.537 21.924 1.00 25.00 H new ATOM 0 HD3 ARG A 73 44.618 -5.309 20.872 1.00 25.00 H new ATOM 0 HE ARG A 73 46.606 -3.378 20.182 1.00 25.00 H new ATOM 0 HH11 ARG A 73 46.148 -6.908 19.814 1.00 25.00 H new ATOM 0 HH12 ARG A 73 47.213 -6.929 18.405 1.00 25.00 H new ATOM 0 HH21 ARG A 73 47.857 -3.549 18.434 1.00 25.00 H new ATOM 0 HH22 ARG A 73 48.135 -5.112 17.657 1.00 25.00 H new ATOM 1144 N ILE A 74 41.001 -3.402 24.171 1.00 25.00 N ATOM 1145 CA ILE A 74 39.779 -3.912 24.798 1.00 25.00 C ATOM 1146 C ILE A 74 39.052 -4.887 23.877 1.00 25.00 C ATOM 1147 O ILE A 74 39.164 -4.815 22.650 1.00 25.00 O ATOM 1148 CB ILE A 74 38.822 -2.766 25.238 1.00 25.00 C ATOM 1149 CG1 ILE A 74 38.792 -1.632 24.191 1.00 25.00 C ATOM 1150 CG2 ILE A 74 39.249 -2.247 26.623 1.00 25.00 C ATOM 1151 CD1 ILE A 74 37.663 -0.603 24.369 1.00 25.00 C ATOM 0 H ILE A 74 40.858 -3.033 23.231 1.00 25.00 H new ATOM 0 HA ILE A 74 40.088 -4.446 25.697 1.00 25.00 H new ATOM 0 HB ILE A 74 37.807 -3.156 25.309 1.00 25.00 H new ATOM 0 HG12 ILE A 74 39.747 -1.108 24.220 1.00 25.00 H new ATOM 0 HG13 ILE A 74 38.703 -2.077 23.200 1.00 25.00 H new ATOM 0 HG21 ILE A 74 38.580 -1.444 26.933 1.00 25.00 H new ATOM 0 HG22 ILE A 74 39.200 -3.060 27.347 1.00 25.00 H new ATOM 0 HG23 ILE A 74 40.270 -1.869 26.571 1.00 25.00 H new ATOM 0 HD11 ILE A 74 37.730 0.150 23.584 1.00 25.00 H new ATOM 0 HD12 ILE A 74 36.698 -1.107 24.307 1.00 25.00 H new ATOM 0 HD13 ILE A 74 37.759 -0.122 25.343 1.00 25.00 H new ATOM 1163 N ALA A 75 38.353 -5.839 24.483 1.00 25.00 N ATOM 1164 CA ALA A 75 37.654 -6.889 23.749 1.00 25.00 C ATOM 1165 C ALA A 75 36.423 -6.362 23.004 1.00 25.00 C ATOM 1166 O ALA A 75 35.857 -5.318 23.328 1.00 25.00 O ATOM 1167 CB ALA A 75 37.263 -8.019 24.709 1.00 25.00 C ATOM 0 H ALA A 75 38.254 -5.906 25.496 1.00 25.00 H new ATOM 0 HA ALA A 75 38.337 -7.274 22.991 1.00 25.00 H new ATOM 0 HB1 ALA A 75 36.741 -8.801 24.157 1.00 25.00 H new ATOM 0 HB2 ALA A 75 38.161 -8.435 25.166 1.00 25.00 H new ATOM 0 HB3 ALA A 75 36.609 -7.626 25.487 1.00 25.00 H new ATOM 1173 N ASP A 76 35.988 -7.132 22.020 1.00 25.00 N ATOM 1174 CA ASP A 76 34.939 -6.735 21.076 1.00 25.00 C ATOM 1175 C ASP A 76 33.537 -6.503 21.652 1.00 25.00 C ATOM 1176 O ASP A 76 32.670 -5.915 21.003 1.00 25.00 O ATOM 1177 CB ASP A 76 34.824 -7.801 19.989 1.00 25.00 C ATOM 1178 CG ASP A 76 34.043 -9.022 20.447 1.00 25.00 C ATOM 1179 OD1 ASP A 76 34.470 -9.687 21.417 1.00 25.00 O ATOM 1180 OD2 ASP A 76 32.984 -9.322 19.859 1.00 25.00 O ATOM 0 H ASP A 76 36.356 -8.067 21.846 1.00 25.00 H new ATOM 0 HA ASP A 76 35.265 -5.762 20.710 1.00 25.00 H new ATOM 0 HB2 ASP A 76 34.338 -7.371 19.114 1.00 25.00 H new ATOM 0 HB3 ASP A 76 35.823 -8.108 19.680 1.00 25.00 H new ATOM 1185 N ASN A 77 33.308 -6.950 22.877 1.00 25.00 N ATOM 1186 CA ASN A 77 32.015 -6.787 23.539 1.00 25.00 C ATOM 1187 C ASN A 77 31.939 -5.553 24.445 1.00 25.00 C ATOM 1188 O ASN A 77 30.909 -5.313 25.073 1.00 25.00 O ATOM 1189 CB ASN A 77 31.701 -8.031 24.377 1.00 25.00 C ATOM 1190 CG ASN A 77 32.539 -8.120 25.630 1.00 25.00 C ATOM 1191 OD1 ASN A 77 33.743 -7.888 25.618 1.00 25.00 O ATOM 1192 ND2 ASN A 77 31.918 -8.472 26.717 1.00 25.00 N ATOM 0 H ASN A 77 34.007 -7.434 23.441 1.00 25.00 H new ATOM 0 HA ASN A 77 31.283 -6.650 22.743 1.00 25.00 H new ATOM 0 HB2 ASN A 77 30.646 -8.022 24.651 1.00 25.00 H new ATOM 0 HB3 ASN A 77 31.865 -8.922 23.771 1.00 25.00 H new ATOM 0 HD21 ASN A 77 32.434 -8.562 27.593 1.00 25.00 H new ATOM 0 HD22 ASN A 77 30.915 -8.658 26.694 1.00 25.00 H new ATOM 1199 N HIS A 78 33.020 -4.791 24.562 1.00 25.00 N ATOM 1200 CA HIS A 78 33.052 -3.668 25.504 1.00 25.00 C ATOM 1201 C HIS A 78 32.151 -2.482 25.170 1.00 25.00 C ATOM 1202 O HIS A 78 32.001 -2.088 24.008 1.00 25.00 O ATOM 1203 CB HIS A 78 34.474 -3.131 25.660 1.00 25.00 C ATOM 1204 CG HIS A 78 35.321 -3.947 26.584 1.00 25.00 C ATOM 1205 ND1 HIS A 78 35.862 -3.470 27.752 1.00 25.00 N ATOM 1206 CD2 HIS A 78 35.707 -5.246 26.522 1.00 25.00 C ATOM 1207 CE1 HIS A 78 36.538 -4.463 28.334 1.00 25.00 C ATOM 1208 NE2 HIS A 78 36.490 -5.565 27.611 1.00 25.00 N ATOM 0 H HIS A 78 33.878 -4.924 24.026 1.00 25.00 H new ATOM 0 HA HIS A 78 32.666 -4.107 26.424 1.00 25.00 H new ATOM 0 HB2 HIS A 78 34.950 -3.095 24.680 1.00 25.00 H new ATOM 0 HB3 HIS A 78 34.429 -2.107 26.030 1.00 25.00 H new ATOM 0 HD2 HIS A 78 35.439 -5.932 25.732 1.00 25.00 H new ATOM 0 HE1 HIS A 78 37.058 -4.375 29.277 1.00 25.00 H new ATOM 0 HE2 HIS A 78 36.936 -6.460 27.814 1.00 25.00 H new ATOM 1216 N THR A 79 31.624 -1.895 26.237 1.00 25.00 N ATOM 1217 CA THR A 79 30.957 -0.592 26.266 1.00 25.00 C ATOM 1218 C THR A 79 31.347 -0.060 27.645 1.00 25.00 C ATOM 1219 O THR A 79 31.757 -0.869 28.496 1.00 25.00 O ATOM 1220 CB THR A 79 29.408 -0.697 26.231 1.00 25.00 C ATOM 1221 OG1 THR A 79 28.959 -1.442 27.365 1.00 25.00 O ATOM 1222 CG2 THR A 79 28.892 -1.390 25.004 1.00 25.00 C ATOM 0 H THR A 79 31.650 -2.336 27.157 1.00 25.00 H new ATOM 0 HA THR A 79 31.243 0.016 25.408 1.00 25.00 H new ATOM 0 HB THR A 79 29.029 0.325 26.233 1.00 25.00 H new ATOM 0 HG1 THR A 79 27.981 -1.508 27.347 1.00 25.00 H new ATOM 0 HG21 THR A 79 27.803 -1.431 25.040 1.00 25.00 H new ATOM 0 HG22 THR A 79 29.205 -0.840 24.117 1.00 25.00 H new ATOM 0 HG23 THR A 79 29.292 -2.403 24.963 1.00 25.00 H new ATOM 1230 N PRO A 80 31.166 1.244 27.935 1.00 25.00 N ATOM 1231 CA PRO A 80 31.384 1.630 29.338 1.00 25.00 C ATOM 1232 C PRO A 80 30.471 0.911 30.335 1.00 25.00 C ATOM 1233 O PRO A 80 30.861 0.658 31.478 1.00 25.00 O ATOM 1234 CB PRO A 80 31.065 3.128 29.333 1.00 25.00 C ATOM 1235 CG PRO A 80 31.306 3.562 27.940 1.00 25.00 C ATOM 1236 CD PRO A 80 30.783 2.417 27.126 1.00 25.00 C ATOM 0 HA PRO A 80 32.392 1.370 29.661 1.00 25.00 H new ATOM 0 HB2 PRO A 80 30.033 3.314 29.632 1.00 25.00 H new ATOM 0 HB3 PRO A 80 31.702 3.670 30.032 1.00 25.00 H new ATOM 0 HG2 PRO A 80 30.782 4.490 27.712 1.00 25.00 H new ATOM 0 HG3 PRO A 80 32.365 3.739 27.751 1.00 25.00 H new ATOM 0 HD2 PRO A 80 29.704 2.478 26.987 1.00 25.00 H new ATOM 0 HD3 PRO A 80 31.231 2.388 26.133 1.00 25.00 H new ATOM 1244 N LYS A 81 29.254 0.553 29.936 1.00 25.00 N ATOM 1245 CA LYS A 81 28.364 -0.200 30.828 1.00 25.00 C ATOM 1246 C LYS A 81 28.894 -1.608 31.086 1.00 25.00 C ATOM 1247 O LYS A 81 28.806 -2.088 32.208 1.00 25.00 O ATOM 1248 CB LYS A 81 26.945 -0.266 30.253 1.00 25.00 C ATOM 1249 CG LYS A 81 25.873 -0.841 31.193 1.00 25.00 C ATOM 1250 CD LYS A 81 25.553 0.082 32.368 1.00 25.00 C ATOM 1251 CE LYS A 81 24.466 -0.504 33.262 1.00 25.00 C ATOM 1252 NZ LYS A 81 24.127 0.432 34.381 1.00 25.00 N ATOM 0 H LYS A 81 28.862 0.765 29.018 1.00 25.00 H new ATOM 0 HA LYS A 81 28.332 0.329 31.780 1.00 25.00 H new ATOM 0 HB2 LYS A 81 26.644 0.740 29.960 1.00 25.00 H new ATOM 0 HB3 LYS A 81 26.968 -0.869 29.345 1.00 25.00 H new ATOM 0 HG2 LYS A 81 24.961 -1.027 30.625 1.00 25.00 H new ATOM 0 HG3 LYS A 81 26.212 -1.804 31.576 1.00 25.00 H new ATOM 0 HD2 LYS A 81 26.456 0.251 32.955 1.00 25.00 H new ATOM 0 HD3 LYS A 81 25.231 1.053 31.992 1.00 25.00 H new ATOM 0 HE2 LYS A 81 23.574 -0.706 32.670 1.00 25.00 H new ATOM 0 HE3 LYS A 81 24.801 -1.458 33.670 1.00 25.00 H new ATOM 0 HZ1 LYS A 81 23.230 0.140 34.818 1.00 25.00 H new ATOM 0 HZ2 LYS A 81 24.883 0.409 35.094 1.00 25.00 H new ATOM 0 HZ3 LYS A 81 24.032 1.398 34.009 1.00 25.00 H new ATOM 1266 N GLU A 82 29.506 -2.239 30.095 1.00 25.00 N ATOM 1267 CA GLU A 82 30.102 -3.571 30.259 1.00 25.00 C ATOM 1268 C GLU A 82 31.258 -3.516 31.261 1.00 25.00 C ATOM 1269 O GLU A 82 31.471 -4.440 32.046 1.00 25.00 O ATOM 1270 CB GLU A 82 30.598 -4.081 28.897 1.00 25.00 C ATOM 1271 CG GLU A 82 31.086 -5.529 28.852 1.00 25.00 C ATOM 1272 CD GLU A 82 29.969 -6.559 28.984 1.00 25.00 C ATOM 1273 OE1 GLU A 82 28.821 -6.311 28.543 1.00 25.00 O ATOM 1274 OE2 GLU A 82 30.238 -7.657 29.523 1.00 25.00 O ATOM 0 H GLU A 82 29.607 -1.851 29.157 1.00 25.00 H new ATOM 0 HA GLU A 82 29.348 -4.257 30.645 1.00 25.00 H new ATOM 0 HB2 GLU A 82 29.789 -3.970 28.175 1.00 25.00 H new ATOM 0 HB3 GLU A 82 31.411 -3.436 28.566 1.00 25.00 H new ATOM 0 HG2 GLU A 82 31.613 -5.696 27.912 1.00 25.00 H new ATOM 0 HG3 GLU A 82 31.808 -5.685 29.654 1.00 25.00 H new ATOM 1281 N LEU A 83 31.963 -2.393 31.292 1.00 25.00 N ATOM 1282 CA LEU A 83 33.028 -2.168 32.274 1.00 25.00 C ATOM 1283 C LEU A 83 32.502 -1.803 33.666 1.00 25.00 C ATOM 1284 O LEU A 83 33.269 -1.733 34.628 1.00 25.00 O ATOM 1285 CB LEU A 83 33.952 -1.051 31.776 1.00 25.00 C ATOM 1286 CG LEU A 83 34.987 -1.423 30.705 1.00 25.00 C ATOM 1287 CD1 LEU A 83 35.610 -0.163 30.124 1.00 50.00 C ATOM 1288 CD2 LEU A 83 36.090 -2.312 31.285 1.00 50.00 C ATOM 0 H LEU A 83 31.819 -1.616 30.646 1.00 25.00 H new ATOM 0 HA LEU A 83 33.568 -3.109 32.374 1.00 25.00 H new ATOM 0 HB2 LEU A 83 33.329 -0.249 31.380 1.00 25.00 H new ATOM 0 HB3 LEU A 83 34.486 -0.646 32.636 1.00 25.00 H new ATOM 0 HG LEU A 83 34.472 -1.977 29.920 1.00 25.00 H new ATOM 0 HD11 LEU A 83 36.343 -0.436 29.365 1.00 50.00 H new ATOM 0 HD12 LEU A 83 34.832 0.452 29.672 1.00 50.00 H new ATOM 0 HD13 LEU A 83 36.102 0.399 30.918 1.00 50.00 H new ATOM 0 HD21 LEU A 83 36.808 -2.559 30.503 1.00 50.00 H new ATOM 0 HD22 LEU A 83 36.599 -1.782 32.090 1.00 50.00 H new ATOM 0 HD23 LEU A 83 35.650 -3.229 31.676 1.00 50.00 H new ATOM 1300 N GLY A 84 31.201 -1.574 33.786 1.00 25.00 N ATOM 1301 CA GLY A 84 30.592 -1.205 35.057 1.00 25.00 C ATOM 1302 C GLY A 84 30.710 0.276 35.355 1.00 25.00 C ATOM 1303 O GLY A 84 30.412 0.743 36.456 1.00 25.00 O ATOM 0 H GLY A 84 30.542 -1.638 33.010 1.00 25.00 H new ATOM 0 HA2 GLY A 84 29.539 -1.486 35.046 1.00 25.00 H new ATOM 0 HA3 GLY A 84 31.065 -1.771 35.859 1.00 25.00 H new ATOM 1307 N MET A 85 31.198 1.025 34.380 1.00 25.00 N ATOM 1308 CA MET A 85 31.490 2.445 34.558 1.00 25.00 C ATOM 1309 C MET A 85 30.358 3.329 34.054 1.00 25.00 C ATOM 1310 O MET A 85 30.154 4.421 34.575 1.00 25.00 O ATOM 1311 CB MET A 85 32.779 2.771 33.807 1.00 25.00 C ATOM 1312 CG MET A 85 33.959 1.979 34.344 1.00 25.00 C ATOM 1313 SD MET A 85 35.467 2.289 33.437 1.00 25.00 S ATOM 1314 CE MET A 85 36.561 1.063 34.211 1.00 25.00 C ATOM 0 H MET A 85 31.403 0.672 33.445 1.00 25.00 H new ATOM 0 HA MET A 85 31.602 2.646 35.623 1.00 25.00 H new ATOM 0 HB2 MET A 85 32.647 2.554 32.747 1.00 25.00 H new ATOM 0 HB3 MET A 85 32.989 3.837 33.890 1.00 25.00 H new ATOM 0 HG2 MET A 85 34.113 2.230 35.393 1.00 25.00 H new ATOM 0 HG3 MET A 85 33.727 0.915 34.302 1.00 25.00 H new ATOM 0 HE1 MET A 85 37.600 1.360 34.066 1.00 25.00 H new ATOM 0 HE2 MET A 85 36.345 1.005 35.278 1.00 25.00 H new ATOM 0 HE3 MET A 85 36.395 0.087 33.754 1.00 25.00 H new ATOM 1324 N GLU A 86 29.644 2.823 33.053 1.00 25.00 N ATOM 1325 CA GLU A 86 28.509 3.460 32.353 1.00 25.00 C ATOM 1326 C GLU A 86 28.787 4.771 31.604 1.00 25.00 C ATOM 1327 O GLU A 86 28.285 4.968 30.504 1.00 25.00 O ATOM 1328 CB GLU A 86 27.308 3.617 33.295 1.00 25.00 C ATOM 1329 CG GLU A 86 26.018 4.020 32.596 1.00 25.00 C ATOM 1330 CD GLU A 86 24.811 3.919 33.509 1.00 25.00 C ATOM 1331 OE1 GLU A 86 24.768 4.583 34.570 1.00 25.00 O ATOM 1332 OE2 GLU A 86 23.885 3.137 33.184 1.00 25.00 O ATOM 0 H GLU A 86 29.848 1.897 32.677 1.00 25.00 H new ATOM 0 HA GLU A 86 28.286 2.757 31.550 1.00 25.00 H new ATOM 0 HB2 GLU A 86 27.146 2.675 33.819 1.00 25.00 H new ATOM 0 HB3 GLU A 86 27.548 4.365 34.051 1.00 25.00 H new ATOM 0 HG2 GLU A 86 26.110 5.043 32.231 1.00 25.00 H new ATOM 0 HG3 GLU A 86 25.866 3.383 31.725 1.00 25.00 H new ATOM 1339 N GLU A 87 29.621 5.631 32.160 1.00 25.00 N ATOM 1340 CA GLU A 87 29.987 6.909 31.570 1.00 25.00 C ATOM 1341 C GLU A 87 31.506 6.959 31.405 1.00 25.00 C ATOM 1342 O GLU A 87 32.217 6.006 31.745 1.00 25.00 O ATOM 1343 CB GLU A 87 29.517 8.061 32.469 1.00 25.00 C ATOM 1344 CG GLU A 87 28.026 8.057 32.760 1.00 25.00 C ATOM 1345 CD GLU A 87 27.526 9.405 33.251 1.00 25.00 C ATOM 1346 OE1 GLU A 87 27.960 9.899 34.321 1.00 25.00 O ATOM 1347 OE2 GLU A 87 26.651 9.984 32.569 1.00 25.00 O ATOM 0 H GLU A 87 30.075 5.457 33.057 1.00 25.00 H new ATOM 0 HA GLU A 87 29.507 7.014 30.597 1.00 25.00 H new ATOM 0 HB2 GLU A 87 30.060 8.015 33.413 1.00 25.00 H new ATOM 0 HB3 GLU A 87 29.781 9.007 31.996 1.00 25.00 H new ATOM 0 HG2 GLU A 87 27.483 7.779 31.856 1.00 25.00 H new ATOM 0 HG3 GLU A 87 27.807 7.297 33.510 1.00 25.00 H new ATOM 1354 N GLU A 88 31.987 8.083 30.901 1.00 25.00 N ATOM 1355 CA GLU A 88 33.403 8.334 30.633 1.00 25.00 C ATOM 1356 C GLU A 88 34.451 8.099 31.731 1.00 25.00 C ATOM 1357 O GLU A 88 34.242 8.319 32.928 1.00 25.00 O ATOM 1358 CB GLU A 88 33.518 9.786 30.157 1.00 25.00 C ATOM 1359 CG GLU A 88 32.967 10.829 31.137 1.00 25.00 C ATOM 1360 CD GLU A 88 33.046 12.248 30.601 1.00 25.00 C ATOM 1361 OE1 GLU A 88 32.376 12.579 29.601 1.00 25.00 O ATOM 1362 OE2 GLU A 88 33.766 13.073 31.208 1.00 25.00 O ATOM 0 H GLU A 88 31.389 8.873 30.658 1.00 25.00 H new ATOM 0 HA GLU A 88 33.663 7.564 29.907 1.00 25.00 H new ATOM 0 HB2 GLU A 88 34.567 10.008 29.964 1.00 25.00 H new ATOM 0 HB3 GLU A 88 32.991 9.885 29.208 1.00 25.00 H new ATOM 0 HG2 GLU A 88 31.928 10.591 31.366 1.00 25.00 H new ATOM 0 HG3 GLU A 88 33.522 10.769 32.073 1.00 25.00 H new ATOM 1369 N ASP A 89 35.613 7.674 31.257 1.00 25.00 N ATOM 1370 CA ASP A 89 36.860 7.497 32.003 1.00 25.00 C ATOM 1371 C ASP A 89 37.814 7.650 30.804 1.00 25.00 C ATOM 1372 O ASP A 89 37.336 8.058 29.740 1.00 25.00 O ATOM 1373 CB ASP A 89 36.927 6.124 32.695 1.00 25.00 C ATOM 1374 CG ASP A 89 38.047 6.026 33.733 1.00 25.00 C ATOM 1375 OD1 ASP A 89 39.067 6.735 33.624 1.00 25.00 O ATOM 1376 OD2 ASP A 89 37.934 5.239 34.696 1.00 25.00 O ATOM 0 H ASP A 89 35.722 7.425 30.274 1.00 25.00 H new ATOM 0 HA ASP A 89 37.049 8.168 32.841 1.00 25.00 H new ATOM 0 HB2 ASP A 89 35.972 5.922 33.180 1.00 25.00 H new ATOM 0 HB3 ASP A 89 37.071 5.351 31.940 1.00 25.00 H new ATOM 1381 N VAL A 90 39.099 7.345 30.908 1.00 25.00 N ATOM 1382 CA VAL A 90 40.047 7.531 29.800 1.00 25.00 C ATOM 1383 C VAL A 90 39.828 6.541 28.648 1.00 25.00 C ATOM 1384 O VAL A 90 40.121 5.347 28.756 1.00 25.00 O ATOM 1385 CB VAL A 90 41.519 7.431 30.295 1.00 25.00 C ATOM 1386 CG1 VAL A 90 42.510 7.774 29.172 1.00 50.00 C ATOM 1387 CG2 VAL A 90 41.751 8.382 31.480 1.00 50.00 C ATOM 0 H VAL A 90 39.520 6.963 31.755 1.00 25.00 H new ATOM 0 HA VAL A 90 39.857 8.533 29.415 1.00 25.00 H new ATOM 0 HB VAL A 90 41.689 6.402 30.611 1.00 25.00 H new ATOM 0 HG11 VAL A 90 43.529 7.695 29.550 1.00 50.00 H new ATOM 0 HG12 VAL A 90 42.375 7.079 28.343 1.00 50.00 H new ATOM 0 HG13 VAL A 90 42.329 8.792 28.826 1.00 50.00 H new ATOM 0 HG21 VAL A 90 42.785 8.300 31.815 1.00 50.00 H new ATOM 0 HG22 VAL A 90 41.550 9.407 31.169 1.00 50.00 H new ATOM 0 HG23 VAL A 90 41.083 8.114 32.298 1.00 50.00 H new ATOM 1397 N ILE A 91 39.318 7.059 27.540 1.00 25.00 N ATOM 1398 CA ILE A 91 38.991 6.287 26.341 1.00 25.00 C ATOM 1399 C ILE A 91 39.737 7.044 25.247 1.00 25.00 C ATOM 1400 O ILE A 91 39.725 8.273 25.246 1.00 25.00 O ATOM 1401 CB ILE A 91 37.451 6.298 26.050 1.00 25.00 C ATOM 1402 CG1 ILE A 91 36.650 5.706 27.229 1.00 25.00 C ATOM 1403 CG2 ILE A 91 37.114 5.500 24.758 1.00 25.00 C ATOM 1404 CD1 ILE A 91 35.166 6.082 27.265 1.00 25.00 C ATOM 0 H ILE A 91 39.113 8.054 27.443 1.00 25.00 H new ATOM 0 HA ILE A 91 39.266 5.236 26.426 1.00 25.00 H new ATOM 0 HB ILE A 91 37.166 7.341 25.913 1.00 25.00 H new ATOM 0 HG12 ILE A 91 36.732 4.620 27.194 1.00 25.00 H new ATOM 0 HG13 ILE A 91 37.113 6.030 28.161 1.00 25.00 H new ATOM 0 HG21 ILE A 91 36.038 5.527 24.584 1.00 25.00 H new ATOM 0 HG22 ILE A 91 37.630 5.948 23.909 1.00 25.00 H new ATOM 0 HG23 ILE A 91 37.437 4.466 24.875 1.00 25.00 H new ATOM 0 HD11 ILE A 91 34.694 5.617 28.130 1.00 25.00 H new ATOM 0 HD12 ILE A 91 35.067 7.165 27.336 1.00 25.00 H new ATOM 0 HD13 ILE A 91 34.680 5.732 26.354 1.00 25.00 H new ATOM 1416 N GLU A 92 40.396 6.351 24.335 1.00 25.00 N ATOM 1417 CA GLU A 92 41.201 6.988 23.295 1.00 25.00 C ATOM 1418 C GLU A 92 40.934 6.294 21.967 1.00 25.00 C ATOM 1419 O GLU A 92 40.676 5.094 21.945 1.00 25.00 O ATOM 1420 CB GLU A 92 42.673 6.853 23.705 1.00 25.00 C ATOM 1421 CG GLU A 92 43.712 7.473 22.775 1.00 25.00 C ATOM 1422 CD GLU A 92 45.127 7.359 23.329 1.00 25.00 C ATOM 1423 OE1 GLU A 92 45.321 6.875 24.470 1.00 25.00 O ATOM 1424 OE2 GLU A 92 46.085 7.746 22.623 1.00 25.00 O ATOM 0 H GLU A 92 40.391 5.332 24.290 1.00 25.00 H new ATOM 0 HA GLU A 92 40.950 8.042 23.180 1.00 25.00 H new ATOM 0 HB2 GLU A 92 42.792 7.301 24.692 1.00 25.00 H new ATOM 0 HB3 GLU A 92 42.900 5.792 23.807 1.00 25.00 H new ATOM 0 HG2 GLU A 92 43.664 6.983 21.803 1.00 25.00 H new ATOM 0 HG3 GLU A 92 43.471 8.524 22.614 1.00 25.00 H new ATOM 1431 N VAL A 93 41.032 7.021 20.865 1.00 25.00 N ATOM 1432 CA VAL A 93 41.089 6.411 19.537 1.00 25.00 C ATOM 1433 C VAL A 93 42.486 6.698 19.001 1.00 25.00 C ATOM 1434 O VAL A 93 42.986 7.824 19.114 1.00 25.00 O ATOM 1435 CB VAL A 93 39.969 6.924 18.583 1.00 25.00 C ATOM 1436 CG1 VAL A 93 38.631 6.302 18.965 1.00 50.00 C ATOM 1437 CG2 VAL A 93 39.834 8.460 18.591 1.00 50.00 C ATOM 0 H VAL A 93 41.074 8.040 20.860 1.00 25.00 H new ATOM 0 HA VAL A 93 40.906 5.338 19.601 1.00 25.00 H new ATOM 0 HB VAL A 93 40.255 6.624 17.575 1.00 25.00 H new ATOM 0 HG11 VAL A 93 37.855 6.667 18.292 1.00 50.00 H new ATOM 0 HG12 VAL A 93 38.699 5.217 18.886 1.00 50.00 H new ATOM 0 HG13 VAL A 93 38.381 6.577 19.990 1.00 50.00 H new ATOM 0 HG21 VAL A 93 39.039 8.759 17.908 1.00 50.00 H new ATOM 0 HG22 VAL A 93 39.593 8.799 19.599 1.00 50.00 H new ATOM 0 HG23 VAL A 93 40.774 8.910 18.272 1.00 50.00 H new ATOM 1447 N TYR A 94 43.146 5.683 18.462 1.00 25.00 N ATOM 1448 CA TYR A 94 44.503 5.832 17.937 1.00 25.00 C ATOM 1449 C TYR A 94 44.669 4.955 16.694 1.00 25.00 C ATOM 1450 O TYR A 94 43.912 4.001 16.495 1.00 25.00 O ATOM 1451 CB TYR A 94 45.517 5.479 19.034 1.00 25.00 C ATOM 1452 CG TYR A 94 46.945 5.848 18.683 1.00 25.00 C ATOM 1453 CD1 TYR A 94 47.377 7.191 18.716 1.00 25.00 C ATOM 1454 CD2 TYR A 94 47.868 4.860 18.296 1.00 25.00 C ATOM 1455 CE1 TYR A 94 48.702 7.539 18.321 1.00 25.00 C ATOM 1456 CE2 TYR A 94 49.182 5.203 17.890 1.00 25.00 C ATOM 1457 CZ TYR A 94 49.582 6.538 17.899 1.00 25.00 C ATOM 1458 OH TYR A 94 50.852 6.836 17.477 1.00 25.00 O ATOM 0 H TYR A 94 42.764 4.741 18.375 1.00 25.00 H new ATOM 0 HA TYR A 94 44.684 6.865 17.639 1.00 25.00 H new ATOM 0 HB2 TYR A 94 45.235 5.989 19.955 1.00 25.00 H new ATOM 0 HB3 TYR A 94 45.466 4.409 19.233 1.00 25.00 H new ATOM 0 HD1 TYR A 94 46.697 7.963 19.044 1.00 25.00 H new ATOM 0 HD2 TYR A 94 47.570 3.822 18.308 1.00 25.00 H new ATOM 0 HE1 TYR A 94 49.024 8.570 18.348 1.00 25.00 H new ATOM 0 HE2 TYR A 94 49.870 4.433 17.575 1.00 25.00 H new ATOM 0 HH TYR A 94 51.315 6.010 17.224 1.00 25.00 H new ATOM 1468 N GLN A 95 45.603 5.302 15.824 1.00 25.00 N ATOM 1469 CA GLN A 95 45.863 4.537 14.605 1.00 25.00 C ATOM 1470 C GLN A 95 46.573 3.205 14.877 1.00 25.00 C ATOM 1471 O GLN A 95 47.271 3.046 15.879 1.00 25.00 O ATOM 1472 CB GLN A 95 46.695 5.404 13.652 1.00 25.00 C ATOM 1473 CG GLN A 95 48.110 5.764 14.138 1.00 25.00 C ATOM 1474 CD GLN A 95 48.812 6.760 13.229 1.00 25.00 C ATOM 1475 OE1 GLN A 95 48.186 7.474 12.452 1.00 25.00 O ATOM 1476 NE2 GLN A 95 50.110 6.836 13.330 1.00 25.00 N ATOM 0 H GLN A 95 46.203 6.119 15.938 1.00 25.00 H new ATOM 0 HA GLN A 95 44.904 4.282 14.154 1.00 25.00 H new ATOM 0 HB2 GLN A 95 46.780 4.883 12.698 1.00 25.00 H new ATOM 0 HB3 GLN A 95 46.150 6.329 13.463 1.00 25.00 H new ATOM 0 HG2 GLN A 95 48.049 6.179 15.144 1.00 25.00 H new ATOM 0 HG3 GLN A 95 48.708 4.855 14.204 1.00 25.00 H new ATOM 0 HE21 GLN A 95 50.607 6.231 13.984 1.00 25.00 H new ATOM 0 HE22 GLN A 95 50.628 7.500 12.755 1.00 25.00 H new ATOM 1485 N GLU A 96 46.422 2.242 13.982 1.00 25.00 N ATOM 1486 CA GLU A 96 47.118 0.956 14.086 1.00 25.00 C ATOM 1487 C GLU A 96 48.326 0.937 13.152 1.00 25.00 C ATOM 1488 O GLU A 96 48.390 1.723 12.208 1.00 25.00 O ATOM 1489 CB GLU A 96 46.167 -0.177 13.709 1.00 25.00 C ATOM 1490 CG GLU A 96 45.152 -0.509 14.781 1.00 25.00 C ATOM 1491 CD GLU A 96 45.762 -1.350 15.890 1.00 25.00 C ATOM 1492 OE1 GLU A 96 46.411 -0.807 16.816 1.00 25.00 O ATOM 1493 OE2 GLU A 96 45.633 -2.591 15.823 1.00 25.00 O ATOM 0 H GLU A 96 45.818 2.322 13.164 1.00 25.00 H new ATOM 0 HA GLU A 96 47.457 0.821 15.113 1.00 25.00 H new ATOM 0 HB2 GLU A 96 45.639 0.094 12.795 1.00 25.00 H new ATOM 0 HB3 GLU A 96 46.751 -1.070 13.487 1.00 25.00 H new ATOM 0 HG2 GLU A 96 44.752 0.413 15.202 1.00 25.00 H new ATOM 0 HG3 GLU A 96 44.314 -1.046 14.336 1.00 25.00 H new ATOM 1500 N GLN A 97 49.268 0.030 13.376 1.00 25.00 N ATOM 1501 CA GLN A 97 50.487 -0.049 12.558 1.00 25.00 C ATOM 1502 C GLN A 97 50.187 -0.547 11.144 1.00 25.00 C ATOM 1503 O GLN A 97 50.965 -0.346 10.209 1.00 25.00 O ATOM 1504 CB GLN A 97 51.507 -0.985 13.217 1.00 25.00 C ATOM 1505 CG GLN A 97 52.001 -0.497 14.577 1.00 25.00 C ATOM 1506 CD GLN A 97 53.032 -1.418 15.195 1.00 25.00 C ATOM 1507 OE1 GLN A 97 52.892 -2.642 15.185 1.00 25.00 O ATOM 1508 NE2 GLN A 97 54.066 -0.848 15.755 1.00 25.00 N ATOM 0 H GLN A 97 49.217 -0.667 14.119 1.00 25.00 H new ATOM 0 HA GLN A 97 50.898 0.958 12.488 1.00 25.00 H new ATOM 0 HB2 GLN A 97 51.058 -1.971 13.336 1.00 25.00 H new ATOM 0 HB3 GLN A 97 52.362 -1.103 12.551 1.00 25.00 H new ATOM 0 HG2 GLN A 97 52.431 0.499 14.466 1.00 25.00 H new ATOM 0 HG3 GLN A 97 51.152 -0.404 15.254 1.00 25.00 H new ATOM 0 HE21 GLN A 97 54.155 0.168 15.747 1.00 25.00 H new ATOM 0 HE22 GLN A 97 54.785 -1.419 16.200 1.00 25.00 H new ATOM 1517 N THR A 98 49.017 -1.144 10.992 1.00 25.00 N ATOM 1518 CA THR A 98 48.481 -1.587 9.709 1.00 25.00 C ATOM 1519 C THR A 98 47.994 -0.421 8.849 1.00 25.00 C ATOM 1520 O THR A 98 47.726 -0.589 7.657 1.00 25.00 O ATOM 1521 CB THR A 98 47.248 -2.451 9.988 1.00 25.00 C ATOM 1522 OG1 THR A 98 46.417 -1.717 10.886 1.00 25.00 O ATOM 1523 CG2 THR A 98 47.601 -3.745 10.694 1.00 25.00 C ATOM 0 H THR A 98 48.395 -1.341 11.776 1.00 25.00 H new ATOM 0 HA THR A 98 49.277 -2.115 9.184 1.00 25.00 H new ATOM 0 HB THR A 98 46.773 -2.686 9.036 1.00 25.00 H new ATOM 0 HG1 THR A 98 45.531 -2.133 10.926 1.00 25.00 H new ATOM 0 HG21 THR A 98 46.694 -4.323 10.870 1.00 25.00 H new ATOM 0 HG22 THR A 98 48.285 -4.323 10.073 1.00 25.00 H new ATOM 0 HG23 THR A 98 48.079 -3.521 11.648 1.00 25.00 H new ATOM 1531 N GLY A 99 47.866 0.761 9.438 1.00 25.00 N ATOM 1532 CA GLY A 99 47.353 1.924 8.733 1.00 25.00 C ATOM 1533 C GLY A 99 48.383 2.703 7.937 1.00 25.00 C ATOM 1534 O GLY A 99 49.536 2.277 7.799 1.00 25.00 O ATOM 0 H GLY A 99 48.114 0.938 10.412 1.00 25.00 H new ATOM 0 HA2 GLY A 99 46.563 1.599 8.055 1.00 25.00 H new ATOM 0 HA3 GLY A 99 46.894 2.596 9.459 1.00 25.00 H new ATOM 1538 N GLY A 100 47.973 3.852 7.415 1.00 25.00 N ATOM 1539 CA GLY A 100 48.867 4.730 6.669 1.00 25.00 C ATOM 1540 C GLY A 100 49.266 4.220 5.305 1.00 25.00 C ATOM 1541 O GLY A 100 50.408 4.484 4.876 1.00 25.00 O ATOM 0 H GLY A 100 47.018 4.200 7.496 1.00 25.00 H new ATOM 0 HA2 GLY A 100 48.385 5.700 6.551 1.00 25.00 H new ATOM 0 HA3 GLY A 100 49.769 4.892 7.259 1.00 25.00 H new TER 1545 GLY A 100