USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 896 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 93 LYS NZ :NH3+ 162:sc=-0.00672 (180deg=-0.194) USER MOD Set 1.2: A 97 TYR OH : rot 15:sc= -1.24 USER MOD Set 2.1: A 43 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 2.2: A 76 GLN : amide:sc= -0.455 K(o=-0.46,f=-4.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0403 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0538 X(o=-0.054,f=-0.35) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 28 GLN : amide:sc= -2.92! C(o=-2.9!,f=-2.2!) USER MOD Single : A 29 MET CE :methyl 150:sc= -2.19! (180deg=-3.04!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0061 USER MOD Single : A 39 CYS SG : rot -161:sc= -5.89! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0671 K(o=-0.067,f=-1.8!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc=-9.6e-05 X(o=-9.6e-05,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= -9! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 59:sc= 0.0457 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0363 USER MOD Single : A 88 GLN : amide:sc= -0.662 K(o=-0.66,f=-5.2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.327 -12.419 -17.673 1.00 1.00 N ATOM 2 CA MET A 1 -14.610 -12.073 -16.249 1.00 1.00 C ATOM 3 C MET A 1 -13.298 -11.725 -15.532 1.00 1.00 C ATOM 4 O MET A 1 -13.125 -10.620 -15.048 1.00 1.00 O ATOM 5 CB MET A 1 -15.276 -13.266 -15.551 1.00 1.00 C ATOM 6 CG MET A 1 -16.780 -13.257 -15.837 1.00 1.00 C ATOM 7 SD MET A 1 -17.361 -14.956 -16.066 1.00 1.00 S ATOM 8 CE MET A 1 -18.379 -15.058 -14.572 1.00 1.00 C ATOM 0 H1 MET A 1 -14.723 -11.685 -18.294 1.00 1.00 H new ATOM 0 H2 MET A 1 -13.299 -12.477 -17.818 1.00 1.00 H new ATOM 0 H3 MET A 1 -14.761 -13.336 -17.900 1.00 1.00 H new ATOM 0 HA MET A 1 -15.280 -11.214 -16.214 1.00 1.00 H new ATOM 0 HB2 MET A 1 -14.835 -14.198 -15.903 1.00 1.00 H new ATOM 0 HB3 MET A 1 -15.100 -13.216 -14.476 1.00 1.00 H new ATOM 0 HG2 MET A 1 -17.315 -12.786 -15.012 1.00 1.00 H new ATOM 0 HG3 MET A 1 -16.988 -12.667 -16.730 1.00 1.00 H new ATOM 0 HE1 MET A 1 -18.841 -16.043 -14.513 1.00 1.00 H new ATOM 0 HE2 MET A 1 -17.754 -14.897 -13.694 1.00 1.00 H new ATOM 0 HE3 MET A 1 -19.156 -14.295 -14.608 1.00 1.00 H new ATOM 20 N ALA A 2 -12.375 -12.659 -15.466 1.00 1.00 N ATOM 21 CA ALA A 2 -11.069 -12.392 -14.784 1.00 1.00 C ATOM 22 C ALA A 2 -10.143 -11.614 -15.727 1.00 1.00 C ATOM 23 O ALA A 2 -10.178 -11.791 -16.932 1.00 1.00 O ATOM 24 CB ALA A 2 -10.410 -13.720 -14.403 1.00 1.00 C ATOM 0 H ALA A 2 -12.472 -13.596 -15.857 1.00 1.00 H new ATOM 0 HA ALA A 2 -11.246 -11.802 -13.885 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -9.459 -13.525 -13.907 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -11.065 -14.271 -13.729 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -10.235 -14.311 -15.302 1.00 1.00 H new ATOM 30 N GLU A 3 -9.317 -10.751 -15.183 1.00 1.00 N ATOM 31 CA GLU A 3 -8.385 -9.952 -16.035 1.00 1.00 C ATOM 32 C GLU A 3 -6.938 -10.180 -15.574 1.00 1.00 C ATOM 33 O GLU A 3 -6.527 -9.709 -14.529 1.00 1.00 O ATOM 34 CB GLU A 3 -8.738 -8.465 -15.920 1.00 1.00 C ATOM 35 CG GLU A 3 -7.992 -7.670 -16.998 1.00 1.00 C ATOM 36 CD GLU A 3 -8.920 -6.603 -17.588 1.00 1.00 C ATOM 37 OE1 GLU A 3 -9.115 -5.587 -16.937 1.00 1.00 O ATOM 38 OE2 GLU A 3 -9.419 -6.818 -18.682 1.00 1.00 O ATOM 0 H GLU A 3 -9.250 -10.567 -14.182 1.00 1.00 H new ATOM 0 HA GLU A 3 -8.482 -10.267 -17.074 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -9.813 -8.327 -16.032 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -8.471 -8.094 -14.931 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -7.107 -7.199 -16.569 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -7.647 -8.341 -17.785 1.00 1.00 H new ATOM 45 N GLN A 4 -6.168 -10.897 -16.358 1.00 1.00 N ATOM 46 CA GLN A 4 -4.744 -11.165 -15.992 1.00 1.00 C ATOM 47 C GLN A 4 -3.828 -10.448 -16.991 1.00 1.00 C ATOM 48 O GLN A 4 -3.014 -9.624 -16.616 1.00 1.00 O ATOM 49 CB GLN A 4 -4.478 -12.675 -16.032 1.00 1.00 C ATOM 50 CG GLN A 4 -3.052 -12.966 -15.551 1.00 1.00 C ATOM 51 CD GLN A 4 -2.995 -12.879 -14.023 1.00 1.00 C ATOM 52 OE1 GLN A 4 -2.795 -11.814 -13.471 1.00 1.00 O ATOM 53 NE2 GLN A 4 -3.161 -13.961 -13.311 1.00 1.00 N ATOM 0 H GLN A 4 -6.469 -11.310 -17.241 1.00 1.00 H new ATOM 0 HA GLN A 4 -4.545 -10.797 -14.986 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -5.198 -13.197 -15.401 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -4.613 -13.050 -17.047 1.00 1.00 H new ATOM 0 HG2 GLN A 4 -2.742 -13.958 -15.880 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -2.356 -12.252 -15.992 1.00 1.00 H new ATOM 0 HE21 GLN A 4 -3.329 -14.855 -13.773 1.00 1.00 H new ATOM 0 HE22 GLN A 4 -3.123 -13.912 -12.293 1.00 1.00 H new ATOM 62 N GLN A 5 -3.963 -10.757 -18.262 1.00 1.00 N ATOM 63 CA GLN A 5 -3.115 -10.099 -19.301 1.00 1.00 C ATOM 64 C GLN A 5 -3.994 -9.190 -20.168 1.00 1.00 C ATOM 65 O GLN A 5 -3.724 -8.010 -20.311 1.00 1.00 O ATOM 66 CB GLN A 5 -2.460 -11.169 -20.182 1.00 1.00 C ATOM 67 CG GLN A 5 -1.175 -11.665 -19.515 1.00 1.00 C ATOM 68 CD GLN A 5 -0.446 -12.627 -20.457 1.00 1.00 C ATOM 69 OE1 GLN A 5 -0.538 -13.829 -20.306 1.00 1.00 O ATOM 70 NE2 GLN A 5 0.280 -12.145 -21.430 1.00 1.00 N ATOM 0 H GLN A 5 -4.629 -11.441 -18.622 1.00 1.00 H new ATOM 0 HA GLN A 5 -2.339 -9.506 -18.817 1.00 1.00 H new ATOM 0 HB2 GLN A 5 -3.148 -12.001 -20.334 1.00 1.00 H new ATOM 0 HB3 GLN A 5 -2.236 -10.757 -21.166 1.00 1.00 H new ATOM 0 HG2 GLN A 5 -0.530 -10.820 -19.271 1.00 1.00 H new ATOM 0 HG3 GLN A 5 -1.411 -12.167 -18.577 1.00 1.00 H new ATOM 0 HE21 GLN A 5 0.357 -11.136 -21.557 1.00 1.00 H new ATOM 0 HE22 GLN A 5 0.769 -12.778 -22.063 1.00 1.00 H new ATOM 79 N GLN A 6 -5.045 -9.733 -20.741 1.00 1.00 N ATOM 80 CA GLN A 6 -5.955 -8.914 -21.599 1.00 1.00 C ATOM 81 C GLN A 6 -7.304 -9.630 -21.742 1.00 1.00 C ATOM 82 O GLN A 6 -7.406 -10.653 -22.398 1.00 1.00 O ATOM 83 CB GLN A 6 -5.321 -8.723 -22.982 1.00 1.00 C ATOM 84 CG GLN A 6 -5.684 -7.339 -23.528 1.00 1.00 C ATOM 85 CD GLN A 6 -4.592 -6.334 -23.150 1.00 1.00 C ATOM 86 OE1 GLN A 6 -4.684 -5.673 -22.134 1.00 1.00 O ATOM 87 NE2 GLN A 6 -3.554 -6.190 -23.929 1.00 1.00 N ATOM 0 H GLN A 6 -5.310 -10.714 -20.649 1.00 1.00 H new ATOM 0 HA GLN A 6 -6.111 -7.939 -21.138 1.00 1.00 H new ATOM 0 HB2 GLN A 6 -4.238 -8.825 -22.914 1.00 1.00 H new ATOM 0 HB3 GLN A 6 -5.672 -9.497 -23.664 1.00 1.00 H new ATOM 0 HG2 GLN A 6 -5.793 -7.382 -24.612 1.00 1.00 H new ATOM 0 HG3 GLN A 6 -6.644 -7.018 -23.123 1.00 1.00 H new ATOM 0 HE21 GLN A 6 -3.476 -6.744 -24.782 1.00 1.00 H new ATOM 0 HE22 GLN A 6 -2.822 -5.523 -23.685 1.00 1.00 H new ATOM 96 N GLU A 7 -8.339 -9.097 -21.133 1.00 1.00 N ATOM 97 CA GLU A 7 -9.687 -9.737 -21.229 1.00 1.00 C ATOM 98 C GLU A 7 -10.625 -8.822 -22.033 1.00 1.00 C ATOM 99 O GLU A 7 -10.760 -8.978 -23.234 1.00 1.00 O ATOM 100 CB GLU A 7 -10.241 -9.975 -19.814 1.00 1.00 C ATOM 101 CG GLU A 7 -11.640 -10.602 -19.896 1.00 1.00 C ATOM 102 CD GLU A 7 -11.523 -12.102 -20.185 1.00 1.00 C ATOM 103 OE1 GLU A 7 -11.418 -12.457 -21.349 1.00 1.00 O ATOM 104 OE2 GLU A 7 -11.545 -12.872 -19.239 1.00 1.00 O ATOM 0 H GLU A 7 -8.306 -8.245 -20.573 1.00 1.00 H new ATOM 0 HA GLU A 7 -9.611 -10.697 -21.739 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -9.571 -10.631 -19.258 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -10.288 -9.032 -19.269 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -12.174 -10.444 -18.959 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -12.221 -10.116 -20.680 1.00 1.00 H new ATOM 111 N GLN A 8 -11.267 -7.871 -21.386 1.00 1.00 N ATOM 112 CA GLN A 8 -12.195 -6.942 -22.107 1.00 1.00 C ATOM 113 C GLN A 8 -12.788 -5.937 -21.113 1.00 1.00 C ATOM 114 O GLN A 8 -12.757 -4.740 -21.338 1.00 1.00 O ATOM 115 CB GLN A 8 -13.335 -7.738 -22.756 1.00 1.00 C ATOM 116 CG GLN A 8 -13.864 -6.973 -23.973 1.00 1.00 C ATOM 117 CD GLN A 8 -15.388 -7.106 -24.043 1.00 1.00 C ATOM 118 OE1 GLN A 8 -16.101 -6.454 -23.305 1.00 1.00 O ATOM 119 NE2 GLN A 8 -15.922 -7.928 -24.906 1.00 1.00 N ATOM 0 H GLN A 8 -11.185 -7.700 -20.384 1.00 1.00 H new ATOM 0 HA GLN A 8 -11.637 -6.414 -22.880 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -12.979 -8.723 -23.059 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -14.138 -7.897 -22.036 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -13.584 -5.922 -23.904 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -13.413 -7.364 -24.885 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -15.325 -8.476 -25.526 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -16.936 -8.022 -24.960 1.00 1.00 H new ATOM 128 N GLN A 9 -13.330 -6.420 -20.017 1.00 1.00 N ATOM 129 CA GLN A 9 -13.934 -5.508 -18.995 1.00 1.00 C ATOM 130 C GLN A 9 -12.833 -4.712 -18.281 1.00 1.00 C ATOM 131 O GLN A 9 -11.657 -5.010 -18.400 1.00 1.00 O ATOM 132 CB GLN A 9 -14.708 -6.339 -17.966 1.00 1.00 C ATOM 133 CG GLN A 9 -16.124 -5.780 -17.814 1.00 1.00 C ATOM 134 CD GLN A 9 -16.941 -6.696 -16.897 1.00 1.00 C ATOM 135 OE1 GLN A 9 -17.754 -7.470 -17.361 1.00 1.00 O ATOM 136 NE2 GLN A 9 -16.757 -6.640 -15.606 1.00 1.00 N ATOM 0 H GLN A 9 -13.379 -7.413 -19.787 1.00 1.00 H new ATOM 0 HA GLN A 9 -14.610 -4.813 -19.493 1.00 1.00 H new ATOM 0 HB2 GLN A 9 -14.750 -7.381 -18.283 1.00 1.00 H new ATOM 0 HB3 GLN A 9 -14.193 -6.318 -17.006 1.00 1.00 H new ATOM 0 HG2 GLN A 9 -16.086 -4.773 -17.399 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -16.603 -5.704 -18.790 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -16.074 -5.990 -15.216 1.00 1.00 H new ATOM 0 HE22 GLN A 9 -17.296 -7.246 -14.987 1.00 1.00 H new ATOM 145 N ILE A 10 -13.216 -3.703 -17.536 1.00 1.00 N ATOM 146 CA ILE A 10 -12.210 -2.875 -16.801 1.00 1.00 C ATOM 147 C ILE A 10 -12.316 -3.170 -15.292 1.00 1.00 C ATOM 148 O ILE A 10 -12.625 -2.304 -14.490 1.00 1.00 O ATOM 149 CB ILE A 10 -12.463 -1.384 -17.098 1.00 1.00 C ATOM 150 CG1 ILE A 10 -11.384 -0.529 -16.417 1.00 1.00 C ATOM 151 CG2 ILE A 10 -13.847 -0.965 -16.586 1.00 1.00 C ATOM 152 CD1 ILE A 10 -10.480 0.099 -17.481 1.00 1.00 C ATOM 0 H ILE A 10 -14.186 -3.417 -17.405 1.00 1.00 H new ATOM 0 HA ILE A 10 -11.201 -3.123 -17.130 1.00 1.00 H new ATOM 0 HB ILE A 10 -12.423 -1.231 -18.176 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -11.850 0.251 -15.815 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -10.792 -1.144 -15.739 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -14.011 0.091 -16.803 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -14.614 -1.561 -17.081 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -13.901 -1.127 -15.509 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -9.715 0.705 -16.996 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -10.003 -0.689 -18.064 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -11.077 0.728 -18.141 1.00 1.00 H new ATOM 164 N ARG A 11 -12.055 -4.399 -14.906 1.00 1.00 N ATOM 165 CA ARG A 11 -12.131 -4.774 -13.456 1.00 1.00 C ATOM 166 C ARG A 11 -10.917 -4.256 -12.694 1.00 1.00 C ATOM 167 O ARG A 11 -10.908 -4.168 -11.478 1.00 1.00 O ATOM 168 CB ARG A 11 -12.214 -6.296 -13.324 1.00 1.00 C ATOM 169 CG ARG A 11 -10.940 -6.947 -13.877 1.00 1.00 C ATOM 170 CD ARG A 11 -10.541 -8.127 -12.987 1.00 1.00 C ATOM 171 NE ARG A 11 -9.686 -7.643 -11.865 1.00 1.00 N ATOM 172 CZ ARG A 11 -8.785 -8.432 -11.340 1.00 1.00 C ATOM 173 NH1 ARG A 11 -7.642 -8.616 -11.950 1.00 1.00 N ATOM 174 NH2 ARG A 11 -9.029 -9.035 -10.206 1.00 1.00 N ATOM 0 H ARG A 11 -11.792 -5.159 -15.534 1.00 1.00 H new ATOM 0 HA ARG A 11 -13.024 -4.318 -13.028 1.00 1.00 H new ATOM 0 HB2 ARG A 11 -12.346 -6.571 -12.278 1.00 1.00 H new ATOM 0 HB3 ARG A 11 -13.085 -6.668 -13.864 1.00 1.00 H new ATOM 0 HG2 ARG A 11 -11.108 -7.289 -14.898 1.00 1.00 H new ATOM 0 HG3 ARG A 11 -10.132 -6.216 -13.914 1.00 1.00 H new ATOM 0 HD2 ARG A 11 -11.432 -8.616 -12.593 1.00 1.00 H new ATOM 0 HD3 ARG A 11 -10.002 -8.871 -13.573 1.00 1.00 H new ATOM 0 HE ARG A 11 -9.804 -6.695 -11.507 1.00 1.00 H new ATOM 0 HH11 ARG A 11 -7.454 -8.144 -12.835 1.00 1.00 H new ATOM 0 HH12 ARG A 11 -6.939 -9.231 -11.541 1.00 1.00 H new ATOM 0 HH21 ARG A 11 -9.921 -8.890 -9.733 1.00 1.00 H new ATOM 0 HH22 ARG A 11 -8.328 -9.651 -9.795 1.00 1.00 H new ATOM 188 N VAL A 12 -9.913 -3.915 -13.419 1.00 1.00 N ATOM 189 CA VAL A 12 -8.652 -3.384 -12.817 1.00 1.00 C ATOM 190 C VAL A 12 -7.819 -2.677 -13.898 1.00 1.00 C ATOM 191 O VAL A 12 -7.995 -2.904 -15.084 1.00 1.00 O ATOM 192 CB VAL A 12 -7.846 -4.542 -12.205 1.00 1.00 C ATOM 193 CG1 VAL A 12 -7.165 -5.352 -13.311 1.00 1.00 C ATOM 194 CG2 VAL A 12 -6.782 -3.981 -11.255 1.00 1.00 C ATOM 0 H VAL A 12 -9.899 -3.979 -14.437 1.00 1.00 H new ATOM 0 HA VAL A 12 -8.898 -2.667 -12.034 1.00 1.00 H new ATOM 0 HB VAL A 12 -8.524 -5.193 -11.653 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -6.597 -6.169 -12.866 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -7.921 -5.759 -13.982 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -6.491 -4.706 -13.873 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -6.211 -4.803 -10.822 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -6.110 -3.325 -11.808 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -7.267 -3.416 -10.459 1.00 1.00 H new ATOM 204 N ARG A 13 -6.911 -1.826 -13.487 1.00 1.00 N ATOM 205 CA ARG A 13 -6.051 -1.096 -14.469 1.00 1.00 C ATOM 206 C ARG A 13 -4.733 -0.700 -13.791 1.00 1.00 C ATOM 207 O ARG A 13 -3.692 -1.243 -14.109 1.00 1.00 O ATOM 208 CB ARG A 13 -6.785 0.156 -14.964 1.00 1.00 C ATOM 209 CG ARG A 13 -6.235 0.569 -16.333 1.00 1.00 C ATOM 210 CD ARG A 13 -5.900 2.063 -16.324 1.00 1.00 C ATOM 211 NE ARG A 13 -7.120 2.851 -16.664 1.00 1.00 N ATOM 212 CZ ARG A 13 -7.249 3.377 -17.853 1.00 1.00 C ATOM 213 NH1 ARG A 13 -6.736 4.555 -18.106 1.00 1.00 N ATOM 214 NH2 ARG A 13 -7.892 2.728 -18.788 1.00 1.00 N ATOM 0 H ARG A 13 -6.728 -1.605 -12.508 1.00 1.00 H new ATOM 0 HA ARG A 13 -5.837 -1.741 -15.322 1.00 1.00 H new ATOM 0 HB2 ARG A 13 -7.854 -0.042 -15.036 1.00 1.00 H new ATOM 0 HB3 ARG A 13 -6.659 0.970 -14.250 1.00 1.00 H new ATOM 0 HG2 ARG A 13 -5.343 -0.012 -16.568 1.00 1.00 H new ATOM 0 HG3 ARG A 13 -6.969 0.355 -17.110 1.00 1.00 H new ATOM 0 HD2 ARG A 13 -5.527 2.356 -15.343 1.00 1.00 H new ATOM 0 HD3 ARG A 13 -5.107 2.273 -17.042 1.00 1.00 H new ATOM 0 HE ARG A 13 -7.854 2.979 -15.968 1.00 1.00 H new ATOM 0 HH11 ARG A 13 -6.236 5.061 -17.375 1.00 1.00 H new ATOM 0 HH12 ARG A 13 -6.836 4.966 -19.034 1.00 1.00 H new ATOM 0 HH21 ARG A 13 -8.293 1.811 -18.589 1.00 1.00 H new ATOM 0 HH22 ARG A 13 -7.993 3.138 -19.716 1.00 1.00 H new ATOM 228 N ILE A 14 -4.792 0.236 -12.855 1.00 1.00 N ATOM 229 CA ILE A 14 -3.573 0.715 -12.102 1.00 1.00 C ATOM 230 C ILE A 14 -2.274 0.465 -12.894 1.00 1.00 C ATOM 231 O ILE A 14 -1.570 -0.499 -12.645 1.00 1.00 O ATOM 232 CB ILE A 14 -3.496 0.016 -10.732 1.00 1.00 C ATOM 233 CG1 ILE A 14 -3.700 -1.496 -10.893 1.00 1.00 C ATOM 234 CG2 ILE A 14 -4.581 0.578 -9.810 1.00 1.00 C ATOM 235 CD1 ILE A 14 -2.738 -2.243 -9.966 1.00 1.00 C ATOM 0 H ILE A 14 -5.658 0.698 -12.577 1.00 1.00 H new ATOM 0 HA ILE A 14 -3.672 1.791 -11.961 1.00 1.00 H new ATOM 0 HB ILE A 14 -2.512 0.197 -10.299 1.00 1.00 H new ATOM 0 HG12 ILE A 14 -4.730 -1.762 -10.656 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -3.525 -1.789 -11.928 1.00 1.00 H new ATOM 0 HG21 ILE A 14 -4.527 0.083 -8.840 1.00 1.00 H new ATOM 0 HG22 ILE A 14 -4.429 1.649 -9.680 1.00 1.00 H new ATOM 0 HG23 ILE A 14 -5.561 0.402 -10.253 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -2.883 -3.317 -10.080 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.711 -1.986 -10.224 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -2.934 -1.958 -8.932 1.00 1.00 H new ATOM 247 N PRO A 15 -1.993 1.351 -13.825 1.00 1.00 N ATOM 248 CA PRO A 15 -0.785 1.264 -14.668 1.00 1.00 C ATOM 249 C PRO A 15 0.449 1.711 -13.868 1.00 1.00 C ATOM 250 O PRO A 15 0.847 2.864 -13.907 1.00 1.00 O ATOM 251 CB PRO A 15 -1.086 2.221 -15.829 1.00 1.00 C ATOM 252 CG PRO A 15 -2.162 3.206 -15.314 1.00 1.00 C ATOM 253 CD PRO A 15 -2.850 2.522 -14.118 1.00 1.00 C ATOM 0 HA PRO A 15 -0.565 0.255 -15.015 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -0.186 2.754 -16.136 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -1.445 1.674 -16.700 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -1.710 4.151 -15.012 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -2.884 3.435 -16.097 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -2.916 3.192 -13.260 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -3.868 2.219 -14.364 1.00 1.00 H new ATOM 261 N ARG A 16 1.045 0.801 -13.134 1.00 1.00 N ATOM 262 CA ARG A 16 2.245 1.150 -12.315 1.00 1.00 C ATOM 263 C ARG A 16 3.512 1.010 -13.167 1.00 1.00 C ATOM 264 O ARG A 16 3.930 -0.086 -13.503 1.00 1.00 O ATOM 265 CB ARG A 16 2.327 0.213 -11.104 1.00 1.00 C ATOM 266 CG ARG A 16 3.253 0.820 -10.044 1.00 1.00 C ATOM 267 CD ARG A 16 2.496 1.883 -9.242 1.00 1.00 C ATOM 268 NE ARG A 16 1.708 1.227 -8.159 1.00 1.00 N ATOM 269 CZ ARG A 16 0.402 1.203 -8.221 1.00 1.00 C ATOM 270 NH1 ARG A 16 -0.285 2.282 -7.945 1.00 1.00 N ATOM 271 NH2 ARG A 16 -0.216 0.101 -8.557 1.00 1.00 N ATOM 0 H ARG A 16 0.749 -0.173 -13.068 1.00 1.00 H new ATOM 0 HA ARG A 16 2.161 2.180 -11.969 1.00 1.00 H new ATOM 0 HB2 ARG A 16 1.333 0.056 -10.686 1.00 1.00 H new ATOM 0 HB3 ARG A 16 2.701 -0.763 -11.412 1.00 1.00 H new ATOM 0 HG2 ARG A 16 3.618 0.039 -9.377 1.00 1.00 H new ATOM 0 HG3 ARG A 16 4.126 1.265 -10.522 1.00 1.00 H new ATOM 0 HD2 ARG A 16 3.198 2.597 -8.813 1.00 1.00 H new ATOM 0 HD3 ARG A 16 1.832 2.444 -9.899 1.00 1.00 H new ATOM 0 HE ARG A 16 2.188 0.796 -7.369 1.00 1.00 H new ATOM 0 HH11 ARG A 16 0.198 3.141 -7.682 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -1.304 2.264 -7.993 1.00 1.00 H new ATOM 0 HH21 ARG A 16 0.321 -0.740 -8.771 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -1.235 0.082 -8.605 1.00 1.00 H new ATOM 285 N LYS A 17 4.124 2.117 -13.512 1.00 1.00 N ATOM 286 CA LYS A 17 5.371 2.079 -14.335 1.00 1.00 C ATOM 287 C LYS A 17 6.492 2.818 -13.585 1.00 1.00 C ATOM 288 O LYS A 17 7.307 3.504 -14.179 1.00 1.00 O ATOM 289 CB LYS A 17 5.108 2.759 -15.686 1.00 1.00 C ATOM 290 CG LYS A 17 4.241 1.851 -16.563 1.00 1.00 C ATOM 291 CD LYS A 17 5.087 0.694 -17.103 1.00 1.00 C ATOM 292 CE LYS A 17 4.452 0.151 -18.385 1.00 1.00 C ATOM 293 NZ LYS A 17 4.843 -1.276 -18.571 1.00 1.00 N ATOM 0 H LYS A 17 3.809 3.053 -13.256 1.00 1.00 H new ATOM 0 HA LYS A 17 5.672 1.046 -14.507 1.00 1.00 H new ATOM 0 HB2 LYS A 17 4.608 3.715 -15.531 1.00 1.00 H new ATOM 0 HB3 LYS A 17 6.053 2.970 -16.187 1.00 1.00 H new ATOM 0 HG2 LYS A 17 3.403 1.462 -15.984 1.00 1.00 H new ATOM 0 HG3 LYS A 17 3.819 2.423 -17.390 1.00 1.00 H new ATOM 0 HD2 LYS A 17 6.103 1.035 -17.304 1.00 1.00 H new ATOM 0 HD3 LYS A 17 5.158 -0.097 -16.357 1.00 1.00 H new ATOM 0 HE2 LYS A 17 3.367 0.237 -18.330 1.00 1.00 H new ATOM 0 HE3 LYS A 17 4.776 0.742 -19.242 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 4.411 -1.644 -19.443 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 5.878 -1.346 -18.642 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 4.513 -1.835 -17.758 1.00 1.00 H new ATOM 307 N GLU A 18 6.532 2.680 -12.278 1.00 1.00 N ATOM 308 CA GLU A 18 7.585 3.366 -11.469 1.00 1.00 C ATOM 309 C GLU A 18 8.448 2.323 -10.750 1.00 1.00 C ATOM 310 O GLU A 18 7.977 1.260 -10.385 1.00 1.00 O ATOM 311 CB GLU A 18 6.921 4.273 -10.427 1.00 1.00 C ATOM 312 CG GLU A 18 6.197 5.430 -11.127 1.00 1.00 C ATOM 313 CD GLU A 18 4.730 5.055 -11.379 1.00 1.00 C ATOM 314 OE1 GLU A 18 4.000 4.899 -10.412 1.00 1.00 O ATOM 315 OE2 GLU A 18 4.361 4.934 -12.536 1.00 1.00 O ATOM 0 H GLU A 18 5.875 2.118 -11.737 1.00 1.00 H new ATOM 0 HA GLU A 18 8.212 3.963 -12.131 1.00 1.00 H new ATOM 0 HB2 GLU A 18 6.213 3.698 -9.830 1.00 1.00 H new ATOM 0 HB3 GLU A 18 7.672 4.665 -9.741 1.00 1.00 H new ATOM 0 HG2 GLU A 18 6.251 6.329 -10.512 1.00 1.00 H new ATOM 0 HG3 GLU A 18 6.690 5.660 -12.072 1.00 1.00 H new ATOM 322 N GLU A 19 9.707 2.628 -10.538 1.00 1.00 N ATOM 323 CA GLU A 19 10.613 1.668 -9.834 1.00 1.00 C ATOM 324 C GLU A 19 10.875 2.169 -8.404 1.00 1.00 C ATOM 325 O GLU A 19 11.996 2.153 -7.920 1.00 1.00 O ATOM 326 CB GLU A 19 11.933 1.555 -10.609 1.00 1.00 C ATOM 327 CG GLU A 19 11.678 0.876 -11.961 1.00 1.00 C ATOM 328 CD GLU A 19 12.538 -0.388 -12.076 1.00 1.00 C ATOM 329 OE1 GLU A 19 12.078 -1.436 -11.653 1.00 1.00 O ATOM 330 OE2 GLU A 19 13.643 -0.285 -12.587 1.00 1.00 O ATOM 0 H GLU A 19 10.146 3.503 -10.824 1.00 1.00 H new ATOM 0 HA GLU A 19 10.146 0.685 -9.784 1.00 1.00 H new ATOM 0 HB2 GLU A 19 12.362 2.545 -10.763 1.00 1.00 H new ATOM 0 HB3 GLU A 19 12.657 0.980 -10.032 1.00 1.00 H new ATOM 0 HG2 GLU A 19 10.623 0.619 -12.056 1.00 1.00 H new ATOM 0 HG3 GLU A 19 11.914 1.563 -12.774 1.00 1.00 H new ATOM 337 N ASN A 20 9.840 2.613 -7.724 1.00 1.00 N ATOM 338 CA ASN A 20 10.000 3.117 -6.326 1.00 1.00 C ATOM 339 C ASN A 20 8.624 3.177 -5.649 1.00 1.00 C ATOM 340 O ASN A 20 7.859 4.105 -5.853 1.00 1.00 O ATOM 341 CB ASN A 20 10.629 4.518 -6.353 1.00 1.00 C ATOM 342 CG ASN A 20 11.660 4.646 -5.227 1.00 1.00 C ATOM 343 OD1 ASN A 20 12.653 3.946 -5.213 1.00 1.00 O ATOM 344 ND2 ASN A 20 11.467 5.520 -4.277 1.00 1.00 N ATOM 0 H ASN A 20 8.886 2.646 -8.084 1.00 1.00 H new ATOM 0 HA ASN A 20 10.650 2.445 -5.766 1.00 1.00 H new ATOM 0 HB2 ASN A 20 11.106 4.694 -7.317 1.00 1.00 H new ATOM 0 HB3 ASN A 20 9.855 5.277 -6.238 1.00 1.00 H new ATOM 0 HD21 ASN A 20 12.149 5.614 -3.525 1.00 1.00 H new ATOM 0 HD22 ASN A 20 10.634 6.109 -4.287 1.00 1.00 H new ATOM 351 N GLU A 21 8.304 2.184 -4.851 1.00 1.00 N ATOM 352 CA GLU A 21 6.977 2.159 -4.155 1.00 1.00 C ATOM 353 C GLU A 21 6.925 0.975 -3.179 1.00 1.00 C ATOM 354 O GLU A 21 7.443 -0.093 -3.460 1.00 1.00 O ATOM 355 CB GLU A 21 5.859 2.009 -5.194 1.00 1.00 C ATOM 356 CG GLU A 21 4.905 3.204 -5.099 1.00 1.00 C ATOM 357 CD GLU A 21 3.522 2.726 -4.647 1.00 1.00 C ATOM 358 OE1 GLU A 21 3.364 2.462 -3.466 1.00 1.00 O ATOM 359 OE2 GLU A 21 2.644 2.631 -5.490 1.00 1.00 O ATOM 0 H GLU A 21 8.908 1.387 -4.651 1.00 1.00 H new ATOM 0 HA GLU A 21 6.843 3.089 -3.603 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.285 1.950 -6.196 1.00 1.00 H new ATOM 0 HB3 GLU A 21 5.313 1.081 -5.024 1.00 1.00 H new ATOM 0 HG2 GLU A 21 5.295 3.938 -4.394 1.00 1.00 H new ATOM 0 HG3 GLU A 21 4.831 3.700 -6.067 1.00 1.00 H new ATOM 366 N ILE A 22 6.304 1.160 -2.035 1.00 1.00 N ATOM 367 CA ILE A 22 6.210 0.058 -1.033 1.00 1.00 C ATOM 368 C ILE A 22 4.722 -0.202 -0.740 1.00 1.00 C ATOM 369 O ILE A 22 3.885 0.639 -1.032 1.00 1.00 O ATOM 370 CB ILE A 22 6.977 0.498 0.224 1.00 1.00 C ATOM 371 CG1 ILE A 22 8.329 -0.222 0.264 1.00 1.00 C ATOM 372 CG2 ILE A 22 6.185 0.175 1.487 1.00 1.00 C ATOM 373 CD1 ILE A 22 9.460 0.809 0.223 1.00 1.00 C ATOM 0 H ILE A 22 5.857 2.033 -1.755 1.00 1.00 H new ATOM 0 HA ILE A 22 6.649 -0.870 -1.398 1.00 1.00 H new ATOM 0 HB ILE A 22 7.128 1.577 0.184 1.00 1.00 H new ATOM 0 HG12 ILE A 22 8.405 -0.825 1.169 1.00 1.00 H new ATOM 0 HG13 ILE A 22 8.414 -0.905 -0.582 1.00 1.00 H new ATOM 0 HG21 ILE A 22 6.749 0.496 2.362 1.00 1.00 H new ATOM 0 HG22 ILE A 22 5.229 0.697 1.460 1.00 1.00 H new ATOM 0 HG23 ILE A 22 6.010 -0.900 1.542 1.00 1.00 H new ATOM 0 HD11 ILE A 22 10.421 0.296 0.252 1.00 1.00 H new ATOM 0 HD12 ILE A 22 9.387 1.393 -0.695 1.00 1.00 H new ATOM 0 HD13 ILE A 22 9.378 1.474 1.083 1.00 1.00 H new ATOM 385 N LEU A 23 4.362 -1.344 -0.179 1.00 1.00 N ATOM 386 CA LEU A 23 2.880 -1.573 0.086 1.00 1.00 C ATOM 387 C LEU A 23 2.692 -1.973 1.543 1.00 1.00 C ATOM 388 O LEU A 23 3.371 -2.846 2.019 1.00 1.00 O ATOM 389 CB LEU A 23 2.309 -2.621 -0.912 1.00 1.00 C ATOM 390 CG LEU A 23 2.445 -4.091 -0.449 1.00 1.00 C ATOM 391 CD1 LEU A 23 3.896 -4.430 -0.098 1.00 1.00 C ATOM 392 CD2 LEU A 23 1.527 -4.365 0.751 1.00 1.00 C ATOM 0 H LEU A 23 4.990 -2.098 0.098 1.00 1.00 H new ATOM 0 HA LEU A 23 2.316 -0.655 -0.079 1.00 1.00 H new ATOM 0 HB2 LEU A 23 1.255 -2.404 -1.083 1.00 1.00 H new ATOM 0 HB3 LEU A 23 2.818 -2.507 -1.869 1.00 1.00 H new ATOM 0 HG LEU A 23 2.140 -4.731 -1.277 1.00 1.00 H new ATOM 0 HD11 LEU A 23 3.959 -5.470 0.224 1.00 1.00 H new ATOM 0 HD12 LEU A 23 4.526 -4.283 -0.975 1.00 1.00 H new ATOM 0 HD13 LEU A 23 4.237 -3.780 0.707 1.00 1.00 H new ATOM 0 HD21 LEU A 23 1.636 -5.404 1.063 1.00 1.00 H new ATOM 0 HD22 LEU A 23 1.801 -3.708 1.576 1.00 1.00 H new ATOM 0 HD23 LEU A 23 0.491 -4.178 0.467 1.00 1.00 H new ATOM 404 N GLY A 24 1.831 -1.328 2.294 1.00 1.00 N ATOM 405 CA GLY A 24 1.723 -1.711 3.736 1.00 1.00 C ATOM 406 C GLY A 24 0.291 -1.670 4.251 1.00 1.00 C ATOM 407 O GLY A 24 -0.574 -1.022 3.696 1.00 1.00 O ATOM 0 H GLY A 24 1.216 -0.576 1.983 1.00 1.00 H new ATOM 0 HA2 GLY A 24 2.125 -2.715 3.872 1.00 1.00 H new ATOM 0 HA3 GLY A 24 2.339 -1.038 4.333 1.00 1.00 H new ATOM 411 N ILE A 25 0.063 -2.332 5.359 1.00 1.00 N ATOM 412 CA ILE A 25 -1.284 -2.319 5.989 1.00 1.00 C ATOM 413 C ILE A 25 -1.226 -1.267 7.104 1.00 1.00 C ATOM 414 O ILE A 25 -0.287 -1.233 7.891 1.00 1.00 O ATOM 415 CB ILE A 25 -1.645 -3.700 6.582 1.00 1.00 C ATOM 416 CG1 ILE A 25 -0.788 -4.809 5.947 1.00 1.00 C ATOM 417 CG2 ILE A 25 -3.120 -4.001 6.303 1.00 1.00 C ATOM 418 CD1 ILE A 25 0.407 -5.118 6.852 1.00 1.00 C ATOM 0 H ILE A 25 0.763 -2.885 5.855 1.00 1.00 H new ATOM 0 HA ILE A 25 -2.049 -2.086 5.249 1.00 1.00 H new ATOM 0 HB ILE A 25 -1.455 -3.674 7.655 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -1.388 -5.707 5.801 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -0.440 -4.495 4.963 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -3.378 -4.975 6.720 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -3.741 -3.233 6.763 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -3.292 -4.010 5.227 1.00 1.00 H new ATOM 0 HD11 ILE A 25 1.012 -5.904 6.400 1.00 1.00 H new ATOM 0 HD12 ILE A 25 1.012 -4.220 6.975 1.00 1.00 H new ATOM 0 HD13 ILE A 25 0.049 -5.451 7.826 1.00 1.00 H new ATOM 430 N ILE A 26 -2.194 -0.386 7.143 1.00 1.00 N ATOM 431 CA ILE A 26 -2.194 0.704 8.160 1.00 1.00 C ATOM 432 C ILE A 26 -3.102 0.364 9.342 1.00 1.00 C ATOM 433 O ILE A 26 -4.070 -0.377 9.229 1.00 1.00 O ATOM 434 CB ILE A 26 -2.668 2.001 7.492 1.00 1.00 C ATOM 435 CG1 ILE A 26 -1.800 3.168 7.957 1.00 1.00 C ATOM 436 CG2 ILE A 26 -4.136 2.294 7.826 1.00 1.00 C ATOM 437 CD1 ILE A 26 -1.210 3.870 6.733 1.00 1.00 C ATOM 0 H ILE A 26 -2.991 -0.377 6.506 1.00 1.00 H new ATOM 0 HA ILE A 26 -1.182 0.825 8.546 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.578 1.877 6.413 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -2.395 3.869 8.543 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -1.001 2.808 8.606 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -4.442 3.219 7.338 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -4.760 1.473 7.473 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -4.250 2.398 8.905 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -0.589 4.705 7.057 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -0.603 3.164 6.166 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.018 4.242 6.102 1.00 1.00 H new ATOM 449 N GLU A 27 -2.777 0.931 10.470 1.00 1.00 N ATOM 450 CA GLU A 27 -3.576 0.709 11.708 1.00 1.00 C ATOM 451 C GLU A 27 -3.645 2.012 12.522 1.00 1.00 C ATOM 452 O GLU A 27 -2.627 2.555 12.943 1.00 1.00 O ATOM 453 CB GLU A 27 -2.924 -0.398 12.544 1.00 1.00 C ATOM 454 CG GLU A 27 -3.649 -1.724 12.290 1.00 1.00 C ATOM 455 CD GLU A 27 -3.105 -2.799 13.236 1.00 1.00 C ATOM 456 OE1 GLU A 27 -2.143 -3.456 12.867 1.00 1.00 O ATOM 457 OE2 GLU A 27 -3.659 -2.950 14.314 1.00 1.00 O ATOM 0 H GLU A 27 -1.976 1.551 10.588 1.00 1.00 H new ATOM 0 HA GLU A 27 -4.588 0.406 11.439 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -1.870 -0.492 12.284 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -2.969 -0.143 13.603 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.721 -1.599 12.444 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -3.510 -2.033 11.254 1.00 1.00 H new ATOM 464 N GLN A 28 -4.842 2.515 12.741 1.00 1.00 N ATOM 465 CA GLN A 28 -5.020 3.767 13.540 1.00 1.00 C ATOM 466 C GLN A 28 -6.171 3.575 14.537 1.00 1.00 C ATOM 467 O GLN A 28 -7.253 3.154 14.166 1.00 1.00 O ATOM 468 CB GLN A 28 -5.334 4.938 12.604 1.00 1.00 C ATOM 469 CG GLN A 28 -5.608 6.216 13.415 1.00 1.00 C ATOM 470 CD GLN A 28 -4.476 6.481 14.419 1.00 1.00 C ATOM 471 OE1 GLN A 28 -4.711 7.039 15.472 1.00 1.00 O ATOM 472 NE2 GLN A 28 -3.254 6.111 14.142 1.00 1.00 N ATOM 0 H GLN A 28 -5.709 2.104 12.395 1.00 1.00 H new ATOM 0 HA GLN A 28 -4.101 3.984 14.085 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -4.497 5.103 11.925 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -6.201 4.697 11.989 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -5.707 7.066 12.740 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -6.555 6.119 13.946 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -3.051 5.642 13.259 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -2.503 6.291 14.808 1.00 1.00 H new ATOM 481 N MET A 29 -5.956 3.898 15.790 1.00 1.00 N ATOM 482 CA MET A 29 -7.049 3.751 16.803 1.00 1.00 C ATOM 483 C MET A 29 -6.724 4.586 18.053 1.00 1.00 C ATOM 484 O MET A 29 -6.974 4.173 19.173 1.00 1.00 O ATOM 485 CB MET A 29 -7.211 2.272 17.182 1.00 1.00 C ATOM 486 CG MET A 29 -8.655 2.012 17.618 1.00 1.00 C ATOM 487 SD MET A 29 -9.762 2.215 16.199 1.00 1.00 S ATOM 488 CE MET A 29 -10.404 3.852 16.629 1.00 1.00 C ATOM 0 H MET A 29 -5.073 4.256 16.154 1.00 1.00 H new ATOM 0 HA MET A 29 -7.984 4.112 16.374 1.00 1.00 H new ATOM 0 HB2 MET A 29 -6.957 1.638 16.333 1.00 1.00 H new ATOM 0 HB3 MET A 29 -6.524 2.015 17.989 1.00 1.00 H new ATOM 0 HG2 MET A 29 -8.748 1.004 18.023 1.00 1.00 H new ATOM 0 HG3 MET A 29 -8.936 2.703 18.413 1.00 1.00 H new ATOM 0 HE1 MET A 29 -10.659 4.394 15.718 1.00 1.00 H new ATOM 0 HE2 MET A 29 -11.295 3.743 17.247 1.00 1.00 H new ATOM 0 HE3 MET A 29 -9.645 4.407 17.181 1.00 1.00 H new ATOM 498 N LEU A 30 -6.175 5.766 17.866 1.00 1.00 N ATOM 499 CA LEU A 30 -5.836 6.642 19.032 1.00 1.00 C ATOM 500 C LEU A 30 -6.243 8.100 18.740 1.00 1.00 C ATOM 501 O LEU A 30 -5.821 9.013 19.427 1.00 1.00 O ATOM 502 CB LEU A 30 -4.326 6.564 19.297 1.00 1.00 C ATOM 503 CG LEU A 30 -3.961 5.160 19.791 1.00 1.00 C ATOM 504 CD1 LEU A 30 -2.447 4.958 19.693 1.00 1.00 C ATOM 505 CD2 LEU A 30 -4.405 4.993 21.248 1.00 1.00 C ATOM 0 H LEU A 30 -5.947 6.159 16.953 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.381 6.299 19.911 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -3.775 6.794 18.385 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.038 7.308 20.040 1.00 1.00 H new ATOM 0 HG LEU A 30 -4.467 4.419 19.172 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -2.190 3.959 20.045 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -2.131 5.070 18.656 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -1.940 5.701 20.309 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -4.144 3.994 21.596 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -3.904 5.736 21.869 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -5.484 5.131 21.318 1.00 1.00 H new ATOM 517 N GLY A 31 -7.069 8.323 17.736 1.00 1.00 N ATOM 518 CA GLY A 31 -7.515 9.713 17.406 1.00 1.00 C ATOM 519 C GLY A 31 -6.316 10.555 16.961 1.00 1.00 C ATOM 520 O GLY A 31 -5.922 11.487 17.639 1.00 1.00 O ATOM 0 H GLY A 31 -7.452 7.596 17.132 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -8.264 9.685 16.615 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -7.987 10.169 18.276 1.00 1.00 H new ATOM 524 N ALA A 32 -5.734 10.233 15.830 1.00 1.00 N ATOM 525 CA ALA A 32 -4.555 11.014 15.339 1.00 1.00 C ATOM 526 C ALA A 32 -4.574 11.091 13.808 1.00 1.00 C ATOM 527 O ALA A 32 -4.960 10.151 13.132 1.00 1.00 O ATOM 528 CB ALA A 32 -3.268 10.327 15.801 1.00 1.00 C ATOM 0 H ALA A 32 -6.025 9.464 15.227 1.00 1.00 H new ATOM 0 HA ALA A 32 -4.600 12.025 15.744 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -2.406 10.892 15.446 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -3.250 10.283 16.890 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -3.230 9.315 15.397 1.00 1.00 H new ATOM 534 N SER A 33 -4.147 12.208 13.262 1.00 1.00 N ATOM 535 CA SER A 33 -4.117 12.373 11.772 1.00 1.00 C ATOM 536 C SER A 33 -3.044 11.456 11.165 1.00 1.00 C ATOM 537 O SER A 33 -3.087 11.137 9.990 1.00 1.00 O ATOM 538 CB SER A 33 -3.797 13.830 11.422 1.00 1.00 C ATOM 539 OG SER A 33 -4.246 14.104 10.101 1.00 1.00 O ATOM 0 H SER A 33 -3.816 13.017 13.789 1.00 1.00 H new ATOM 0 HA SER A 33 -5.092 12.105 11.365 1.00 1.00 H new ATOM 0 HB2 SER A 33 -4.282 14.501 12.130 1.00 1.00 H new ATOM 0 HB3 SER A 33 -2.724 14.007 11.498 1.00 1.00 H new ATOM 0 HG SER A 33 -4.045 15.036 9.874 1.00 1.00 H new ATOM 545 N ARG A 34 -2.090 11.028 11.961 1.00 1.00 N ATOM 546 CA ARG A 34 -1.014 10.127 11.449 1.00 1.00 C ATOM 547 C ARG A 34 -1.357 8.675 11.821 1.00 1.00 C ATOM 548 O ARG A 34 -2.168 8.423 12.697 1.00 1.00 O ATOM 549 CB ARG A 34 0.329 10.529 12.075 1.00 1.00 C ATOM 550 CG ARG A 34 0.311 10.238 13.579 1.00 1.00 C ATOM 551 CD ARG A 34 1.719 10.407 14.154 1.00 1.00 C ATOM 552 NE ARG A 34 1.694 11.443 15.226 1.00 1.00 N ATOM 553 CZ ARG A 34 2.232 12.616 15.017 1.00 1.00 C ATOM 554 NH1 ARG A 34 3.493 12.816 15.298 1.00 1.00 N ATOM 555 NH2 ARG A 34 1.506 13.589 14.530 1.00 1.00 N ATOM 0 H ARG A 34 -2.013 11.268 12.949 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.939 10.214 10.365 1.00 1.00 H new ATOM 0 HB2 ARG A 34 1.141 9.979 11.599 1.00 1.00 H new ATOM 0 HB3 ARG A 34 0.518 11.589 11.903 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -0.381 10.914 14.082 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -0.046 9.224 13.759 1.00 1.00 H new ATOM 0 HD2 ARG A 34 2.076 9.459 14.557 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.413 10.700 13.366 1.00 1.00 H new ATOM 0 HE ARG A 34 1.256 11.236 16.124 1.00 1.00 H new ATOM 0 HH11 ARG A 34 4.057 12.057 15.680 1.00 1.00 H new ATOM 0 HH12 ARG A 34 3.913 13.731 15.135 1.00 1.00 H new ATOM 0 HH21 ARG A 34 0.522 13.432 14.314 1.00 1.00 H new ATOM 0 HH22 ARG A 34 1.924 14.505 14.366 1.00 1.00 H new ATOM 569 N VAL A 35 -0.756 7.724 11.151 1.00 1.00 N ATOM 570 CA VAL A 35 -1.049 6.281 11.439 1.00 1.00 C ATOM 571 C VAL A 35 0.228 5.465 11.452 1.00 1.00 C ATOM 572 O VAL A 35 1.275 5.898 10.998 1.00 1.00 O ATOM 573 CB VAL A 35 -1.968 5.677 10.389 1.00 1.00 C ATOM 574 CG1 VAL A 35 -3.352 6.281 10.510 1.00 1.00 C ATOM 575 CG2 VAL A 35 -1.395 5.945 9.005 1.00 1.00 C ATOM 0 H VAL A 35 -0.071 7.883 10.412 1.00 1.00 H new ATOM 0 HA VAL A 35 -1.533 6.252 12.415 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.043 4.601 10.543 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -4.007 5.845 9.755 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -3.754 6.074 11.502 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -3.293 7.359 10.360 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -2.051 5.513 8.250 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -1.317 7.020 8.846 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -0.406 5.494 8.927 1.00 1.00 H new ATOM 585 N ARG A 36 0.123 4.266 11.933 1.00 1.00 N ATOM 586 CA ARG A 36 1.319 3.353 11.957 1.00 1.00 C ATOM 587 C ARG A 36 1.103 2.245 10.931 1.00 1.00 C ATOM 588 O ARG A 36 0.044 1.639 10.892 1.00 1.00 O ATOM 589 CB ARG A 36 1.514 2.736 13.347 1.00 1.00 C ATOM 590 CG ARG A 36 0.156 2.475 14.009 1.00 1.00 C ATOM 591 CD ARG A 36 0.351 1.664 15.291 1.00 1.00 C ATOM 592 NE ARG A 36 -0.949 1.059 15.699 1.00 1.00 N ATOM 593 CZ ARG A 36 -1.743 1.702 16.515 1.00 1.00 C ATOM 594 NH1 ARG A 36 -1.551 1.628 17.806 1.00 1.00 N ATOM 595 NH2 ARG A 36 -2.728 2.420 16.040 1.00 1.00 N ATOM 0 H ARG A 36 -0.735 3.866 12.314 1.00 1.00 H new ATOM 0 HA ARG A 36 2.212 3.929 11.716 1.00 1.00 H new ATOM 0 HB2 ARG A 36 2.071 1.803 13.263 1.00 1.00 H new ATOM 0 HB3 ARG A 36 2.107 3.406 13.970 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -0.335 3.421 14.238 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -0.496 1.935 13.322 1.00 1.00 H new ATOM 0 HD2 ARG A 36 1.093 0.882 15.130 1.00 1.00 H new ATOM 0 HD3 ARG A 36 0.731 2.306 16.086 1.00 1.00 H new ATOM 0 HE ARG A 36 -1.219 0.143 15.341 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -0.782 1.069 18.176 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -2.170 2.129 18.443 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -2.877 2.478 15.033 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -3.347 2.921 16.677 1.00 1.00 H new ATOM 609 N VAL A 37 2.070 1.983 10.077 1.00 1.00 N ATOM 610 CA VAL A 37 1.857 0.929 9.053 1.00 1.00 C ATOM 611 C VAL A 37 3.134 0.104 8.838 1.00 1.00 C ATOM 612 O VAL A 37 4.246 0.615 8.830 1.00 1.00 O ATOM 613 CB VAL A 37 1.402 1.581 7.723 1.00 1.00 C ATOM 614 CG1 VAL A 37 1.464 3.107 7.826 1.00 1.00 C ATOM 615 CG2 VAL A 37 2.303 1.130 6.575 1.00 1.00 C ATOM 0 H VAL A 37 2.977 2.448 10.051 1.00 1.00 H new ATOM 0 HA VAL A 37 1.079 0.252 9.405 1.00 1.00 H new ATOM 0 HB VAL A 37 0.376 1.269 7.530 1.00 1.00 H new ATOM 0 HG11 VAL A 37 1.141 3.549 6.883 1.00 1.00 H new ATOM 0 HG12 VAL A 37 0.808 3.444 8.628 1.00 1.00 H new ATOM 0 HG13 VAL A 37 2.487 3.416 8.040 1.00 1.00 H new ATOM 0 HG21 VAL A 37 1.971 1.596 5.647 1.00 1.00 H new ATOM 0 HG22 VAL A 37 3.332 1.426 6.782 1.00 1.00 H new ATOM 0 HG23 VAL A 37 2.250 0.046 6.475 1.00 1.00 H new ATOM 625 N ARG A 38 2.945 -1.163 8.595 1.00 1.00 N ATOM 626 CA ARG A 38 4.088 -2.081 8.295 1.00 1.00 C ATOM 627 C ARG A 38 3.973 -2.405 6.809 1.00 1.00 C ATOM 628 O ARG A 38 2.873 -2.466 6.283 1.00 1.00 O ATOM 629 CB ARG A 38 3.995 -3.367 9.131 1.00 1.00 C ATOM 630 CG ARG A 38 2.543 -3.856 9.204 1.00 1.00 C ATOM 631 CD ARG A 38 2.501 -5.263 9.804 1.00 1.00 C ATOM 632 NE ARG A 38 2.045 -5.183 11.222 1.00 1.00 N ATOM 633 CZ ARG A 38 2.919 -5.172 12.192 1.00 1.00 C ATOM 634 NH1 ARG A 38 3.353 -6.300 12.692 1.00 1.00 N ATOM 635 NH2 ARG A 38 3.362 -4.033 12.660 1.00 1.00 N ATOM 0 H ARG A 38 2.030 -1.613 8.591 1.00 1.00 H new ATOM 0 HA ARG A 38 5.044 -1.618 8.539 1.00 1.00 H new ATOM 0 HB2 ARG A 38 4.624 -4.141 8.690 1.00 1.00 H new ATOM 0 HB3 ARG A 38 4.374 -3.183 10.136 1.00 1.00 H new ATOM 0 HG2 ARG A 38 1.950 -3.173 9.812 1.00 1.00 H new ATOM 0 HG3 ARG A 38 2.101 -3.862 8.208 1.00 1.00 H new ATOM 0 HD2 ARG A 38 1.826 -5.896 9.228 1.00 1.00 H new ATOM 0 HD3 ARG A 38 3.488 -5.722 9.753 1.00 1.00 H new ATOM 0 HE ARG A 38 1.048 -5.137 11.434 1.00 1.00 H new ATOM 0 HH11 ARG A 38 3.009 -7.187 12.324 1.00 1.00 H new ATOM 0 HH12 ARG A 38 4.036 -6.293 13.450 1.00 1.00 H new ATOM 0 HH21 ARG A 38 3.025 -3.154 12.267 1.00 1.00 H new ATOM 0 HH22 ARG A 38 4.045 -4.024 13.418 1.00 1.00 H new ATOM 649 N CYS A 39 5.062 -2.556 6.096 1.00 1.00 N ATOM 650 CA CYS A 39 4.919 -2.795 4.636 1.00 1.00 C ATOM 651 C CYS A 39 5.897 -3.834 4.101 1.00 1.00 C ATOM 652 O CYS A 39 6.982 -4.045 4.620 1.00 1.00 O ATOM 653 CB CYS A 39 5.182 -1.476 3.896 1.00 1.00 C ATOM 654 SG CYS A 39 4.627 -0.076 4.902 1.00 1.00 S ATOM 0 H CYS A 39 6.017 -2.525 6.453 1.00 1.00 H new ATOM 0 HA CYS A 39 3.909 -3.171 4.470 1.00 1.00 H new ATOM 0 HB2 CYS A 39 6.246 -1.378 3.678 1.00 1.00 H new ATOM 0 HB3 CYS A 39 4.659 -1.476 2.939 1.00 1.00 H new ATOM 0 HG CYS A 39 4.476 0.970 4.145 1.00 1.00 H new ATOM 660 N LEU A 40 5.522 -4.408 2.988 1.00 1.00 N ATOM 661 CA LEU A 40 6.379 -5.360 2.288 1.00 1.00 C ATOM 662 C LEU A 40 7.140 -4.549 1.247 1.00 1.00 C ATOM 663 O LEU A 40 7.015 -3.309 1.171 1.00 1.00 O ATOM 664 CB LEU A 40 5.563 -6.460 1.608 1.00 1.00 C ATOM 665 CG LEU A 40 5.969 -7.842 2.149 1.00 1.00 C ATOM 666 CD1 LEU A 40 7.496 -7.976 2.236 1.00 1.00 C ATOM 667 CD2 LEU A 40 5.358 -8.048 3.538 1.00 1.00 C ATOM 0 H LEU A 40 4.624 -4.238 2.535 1.00 1.00 H new ATOM 0 HA LEU A 40 7.048 -5.861 2.987 1.00 1.00 H new ATOM 0 HB2 LEU A 40 4.500 -6.293 1.781 1.00 1.00 H new ATOM 0 HB3 LEU A 40 5.720 -6.424 0.530 1.00 1.00 H new ATOM 0 HG LEU A 40 5.597 -8.602 1.462 1.00 1.00 H new ATOM 0 HD11 LEU A 40 7.753 -8.963 2.621 1.00 1.00 H new ATOM 0 HD12 LEU A 40 7.929 -7.850 1.244 1.00 1.00 H new ATOM 0 HD13 LEU A 40 7.891 -7.211 2.905 1.00 1.00 H new ATOM 0 HD21 LEU A 40 5.646 -9.027 3.921 1.00 1.00 H new ATOM 0 HD22 LEU A 40 5.721 -7.273 4.214 1.00 1.00 H new ATOM 0 HD23 LEU A 40 4.272 -7.990 3.470 1.00 1.00 H new ATOM 679 N ASP A 41 7.978 -5.232 0.515 1.00 1.00 N ATOM 680 CA ASP A 41 8.916 -4.562 -0.407 1.00 1.00 C ATOM 681 C ASP A 41 10.016 -4.006 0.534 1.00 1.00 C ATOM 682 O ASP A 41 10.763 -3.104 0.205 1.00 1.00 O ATOM 683 CB ASP A 41 8.223 -3.428 -1.181 1.00 1.00 C ATOM 684 CG ASP A 41 9.022 -3.101 -2.447 1.00 1.00 C ATOM 685 OD1 ASP A 41 8.839 -3.793 -3.436 1.00 1.00 O ATOM 686 OD2 ASP A 41 9.798 -2.160 -2.408 1.00 1.00 O ATOM 0 H ASP A 41 8.047 -6.250 0.524 1.00 1.00 H new ATOM 0 HA ASP A 41 9.310 -5.234 -1.169 1.00 1.00 H new ATOM 0 HB2 ASP A 41 7.208 -3.724 -1.447 1.00 1.00 H new ATOM 0 HB3 ASP A 41 8.142 -2.542 -0.552 1.00 1.00 H new ATOM 691 N GLY A 42 10.126 -4.642 1.713 1.00 1.00 N ATOM 692 CA GLY A 42 11.169 -4.307 2.737 1.00 1.00 C ATOM 693 C GLY A 42 11.017 -2.906 3.348 1.00 1.00 C ATOM 694 O GLY A 42 11.982 -2.164 3.365 1.00 1.00 O ATOM 0 H GLY A 42 9.505 -5.400 1.996 1.00 1.00 H new ATOM 0 HA2 GLY A 42 11.130 -5.047 3.536 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.154 -4.387 2.277 1.00 1.00 H new ATOM 698 N LYS A 43 9.863 -2.516 3.877 1.00 1.00 N ATOM 699 CA LYS A 43 9.799 -1.147 4.487 1.00 1.00 C ATOM 700 C LYS A 43 8.866 -1.081 5.702 1.00 1.00 C ATOM 701 O LYS A 43 7.904 -1.818 5.817 1.00 1.00 O ATOM 702 CB LYS A 43 9.356 -0.131 3.438 1.00 1.00 C ATOM 703 CG LYS A 43 10.187 1.150 3.578 1.00 1.00 C ATOM 704 CD LYS A 43 11.649 0.880 3.201 1.00 1.00 C ATOM 705 CE LYS A 43 12.481 0.688 4.473 1.00 1.00 C ATOM 706 NZ LYS A 43 13.859 1.222 4.267 1.00 1.00 N ATOM 0 H LYS A 43 9.004 -3.065 3.909 1.00 1.00 H new ATOM 0 HA LYS A 43 10.802 -0.908 4.840 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.479 -0.548 2.439 1.00 1.00 H new ATOM 0 HB3 LYS A 43 8.297 0.095 3.561 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.777 1.930 2.936 1.00 1.00 H new ATOM 0 HG3 LYS A 43 10.131 1.518 4.602 1.00 1.00 H new ATOM 0 HD2 LYS A 43 11.715 -0.009 2.574 1.00 1.00 H new ATOM 0 HD3 LYS A 43 12.044 1.712 2.618 1.00 1.00 H new ATOM 0 HE2 LYS A 43 12.005 1.200 5.309 1.00 1.00 H new ATOM 0 HE3 LYS A 43 12.527 -0.370 4.731 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 14.523 0.717 4.888 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 14.140 1.085 3.275 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 13.876 2.237 4.494 1.00 1.00 H new ATOM 720 N THR A 44 9.138 -0.145 6.578 1.00 1.00 N ATOM 721 CA THR A 44 8.286 0.091 7.793 1.00 1.00 C ATOM 722 C THR A 44 8.150 1.612 7.927 1.00 1.00 C ATOM 723 O THR A 44 9.144 2.325 8.039 1.00 1.00 O ATOM 724 CB THR A 44 8.951 -0.498 9.046 1.00 1.00 C ATOM 725 OG1 THR A 44 9.695 -1.662 8.702 1.00 1.00 O ATOM 726 CG2 THR A 44 7.873 -0.864 10.064 1.00 1.00 C ATOM 0 H THR A 44 9.937 0.484 6.502 1.00 1.00 H new ATOM 0 HA THR A 44 7.314 -0.391 7.692 1.00 1.00 H new ATOM 0 HB THR A 44 9.627 0.241 9.475 1.00 1.00 H new ATOM 0 HG1 THR A 44 10.117 -2.030 9.506 1.00 1.00 H new ATOM 0 HG21 THR A 44 8.341 -1.283 10.955 1.00 1.00 H new ATOM 0 HG22 THR A 44 7.310 0.029 10.335 1.00 1.00 H new ATOM 0 HG23 THR A 44 7.197 -1.600 9.629 1.00 1.00 H new ATOM 734 N ARG A 45 6.945 2.133 7.841 1.00 1.00 N ATOM 735 CA ARG A 45 6.793 3.617 7.877 1.00 1.00 C ATOM 736 C ARG A 45 5.495 4.061 8.534 1.00 1.00 C ATOM 737 O ARG A 45 4.542 3.312 8.644 1.00 1.00 O ATOM 738 CB ARG A 45 6.809 4.148 6.442 1.00 1.00 C ATOM 739 CG ARG A 45 6.028 3.195 5.527 1.00 1.00 C ATOM 740 CD ARG A 45 7.003 2.248 4.822 1.00 1.00 C ATOM 741 NE ARG A 45 8.103 3.045 4.213 1.00 1.00 N ATOM 742 CZ ARG A 45 7.842 3.862 3.235 1.00 1.00 C ATOM 743 NH1 ARG A 45 7.708 3.406 2.018 1.00 1.00 N ATOM 744 NH2 ARG A 45 7.716 5.134 3.478 1.00 1.00 N ATOM 0 H ARG A 45 6.079 1.602 7.749 1.00 1.00 H new ATOM 0 HA ARG A 45 7.619 4.013 8.468 1.00 1.00 H new ATOM 0 HB2 ARG A 45 6.367 5.144 6.408 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.837 4.243 6.091 1.00 1.00 H new ATOM 0 HG2 ARG A 45 5.307 2.623 6.111 1.00 1.00 H new ATOM 0 HG3 ARG A 45 5.461 3.764 4.790 1.00 1.00 H new ATOM 0 HD2 ARG A 45 7.409 1.529 5.533 1.00 1.00 H new ATOM 0 HD3 ARG A 45 6.483 1.677 4.053 1.00 1.00 H new ATOM 0 HE ARG A 45 9.057 2.951 4.561 1.00 1.00 H new ATOM 0 HH11 ARG A 45 7.808 2.408 1.833 1.00 1.00 H new ATOM 0 HH12 ARG A 45 7.503 4.048 1.252 1.00 1.00 H new ATOM 0 HH21 ARG A 45 7.822 5.484 4.430 1.00 1.00 H new ATOM 0 HH22 ARG A 45 7.511 5.781 2.716 1.00 1.00 H new ATOM 758 N LEU A 46 5.440 5.319 8.883 1.00 1.00 N ATOM 759 CA LEU A 46 4.188 5.896 9.442 1.00 1.00 C ATOM 760 C LEU A 46 3.498 6.577 8.255 1.00 1.00 C ATOM 761 O LEU A 46 4.141 7.264 7.481 1.00 1.00 O ATOM 762 CB LEU A 46 4.505 6.931 10.529 1.00 1.00 C ATOM 763 CG LEU A 46 5.090 6.248 11.776 1.00 1.00 C ATOM 764 CD1 LEU A 46 4.289 4.988 12.118 1.00 1.00 C ATOM 765 CD2 LEU A 46 6.551 5.869 11.519 1.00 1.00 C ATOM 0 H LEU A 46 6.217 5.975 8.803 1.00 1.00 H new ATOM 0 HA LEU A 46 3.563 5.132 9.904 1.00 1.00 H new ATOM 0 HB2 LEU A 46 5.213 7.665 10.144 1.00 1.00 H new ATOM 0 HB3 LEU A 46 3.598 7.473 10.797 1.00 1.00 H new ATOM 0 HG LEU A 46 5.034 6.942 12.614 1.00 1.00 H new ATOM 0 HD11 LEU A 46 4.715 4.515 13.003 1.00 1.00 H new ATOM 0 HD12 LEU A 46 3.252 5.259 12.315 1.00 1.00 H new ATOM 0 HD13 LEU A 46 4.330 4.292 11.280 1.00 1.00 H new ATOM 0 HD21 LEU A 46 6.963 5.385 12.405 1.00 1.00 H new ATOM 0 HD22 LEU A 46 6.606 5.184 10.673 1.00 1.00 H new ATOM 0 HD23 LEU A 46 7.126 6.768 11.296 1.00 1.00 H new ATOM 777 N GLY A 47 2.225 6.357 8.060 1.00 1.00 N ATOM 778 CA GLY A 47 1.545 6.947 6.868 1.00 1.00 C ATOM 779 C GLY A 47 0.843 8.253 7.204 1.00 1.00 C ATOM 780 O GLY A 47 0.397 8.478 8.316 1.00 1.00 O ATOM 0 H GLY A 47 1.629 5.798 8.670 1.00 1.00 H new ATOM 0 HA2 GLY A 47 2.279 7.121 6.081 1.00 1.00 H new ATOM 0 HA3 GLY A 47 0.819 6.235 6.475 1.00 1.00 H new ATOM 784 N ARG A 48 0.748 9.119 6.224 1.00 1.00 N ATOM 785 CA ARG A 48 0.082 10.429 6.428 1.00 1.00 C ATOM 786 C ARG A 48 -1.051 10.597 5.415 1.00 1.00 C ATOM 787 O ARG A 48 -0.942 10.202 4.266 1.00 1.00 O ATOM 788 CB ARG A 48 1.095 11.568 6.269 1.00 1.00 C ATOM 789 CG ARG A 48 1.802 11.470 4.912 1.00 1.00 C ATOM 790 CD ARG A 48 2.235 12.866 4.460 1.00 1.00 C ATOM 791 NE ARG A 48 1.031 13.685 4.133 1.00 1.00 N ATOM 792 CZ ARG A 48 1.169 14.851 3.561 1.00 1.00 C ATOM 793 NH1 ARG A 48 1.480 15.899 4.278 1.00 1.00 N ATOM 794 NH2 ARG A 48 0.999 14.968 2.270 1.00 1.00 N ATOM 0 H ARG A 48 1.110 8.965 5.283 1.00 1.00 H new ATOM 0 HA ARG A 48 -0.330 10.462 7.437 1.00 1.00 H new ATOM 0 HB2 ARG A 48 0.587 12.529 6.353 1.00 1.00 H new ATOM 0 HB3 ARG A 48 1.830 11.524 7.073 1.00 1.00 H new ATOM 0 HG2 ARG A 48 2.670 10.815 4.989 1.00 1.00 H new ATOM 0 HG3 ARG A 48 1.134 11.028 4.173 1.00 1.00 H new ATOM 0 HD2 ARG A 48 2.813 13.350 5.247 1.00 1.00 H new ATOM 0 HD3 ARG A 48 2.884 12.791 3.587 1.00 1.00 H new ATOM 0 HE ARG A 48 0.100 13.334 4.356 1.00 1.00 H new ATOM 0 HH11 ARG A 48 1.615 15.806 5.285 1.00 1.00 H new ATOM 0 HH12 ARG A 48 1.588 16.809 3.831 1.00 1.00 H new ATOM 0 HH21 ARG A 48 0.759 14.149 1.711 1.00 1.00 H new ATOM 0 HH22 ARG A 48 1.106 15.878 1.822 1.00 1.00 H new ATOM 808 N ILE A 49 -2.138 11.181 5.842 1.00 1.00 N ATOM 809 CA ILE A 49 -3.299 11.389 4.926 1.00 1.00 C ATOM 810 C ILE A 49 -3.288 12.850 4.423 1.00 1.00 C ATOM 811 O ILE A 49 -2.680 13.708 5.041 1.00 1.00 O ATOM 812 CB ILE A 49 -4.595 11.062 5.699 1.00 1.00 C ATOM 813 CG1 ILE A 49 -5.359 9.951 4.968 1.00 1.00 C ATOM 814 CG2 ILE A 49 -5.493 12.299 5.828 1.00 1.00 C ATOM 815 CD1 ILE A 49 -5.119 8.614 5.673 1.00 1.00 C ATOM 0 H ILE A 49 -2.273 11.526 6.792 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.239 10.734 4.057 1.00 1.00 H new ATOM 0 HB ILE A 49 -4.321 10.732 6.701 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -6.425 10.179 4.951 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -5.030 9.891 3.931 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -6.397 12.036 6.377 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -4.958 13.083 6.364 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -5.763 12.658 4.835 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -5.663 7.825 5.152 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -4.053 8.385 5.666 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -5.470 8.678 6.703 1.00 1.00 H new ATOM 827 N PRO A 50 -3.953 13.088 3.311 1.00 1.00 N ATOM 828 CA PRO A 50 -4.024 14.432 2.701 1.00 1.00 C ATOM 829 C PRO A 50 -4.990 15.342 3.478 1.00 1.00 C ATOM 830 O PRO A 50 -4.600 16.391 3.960 1.00 1.00 O ATOM 831 CB PRO A 50 -4.526 14.159 1.279 1.00 1.00 C ATOM 832 CG PRO A 50 -5.237 12.786 1.321 1.00 1.00 C ATOM 833 CD PRO A 50 -4.698 12.049 2.562 1.00 1.00 C ATOM 0 HA PRO A 50 -3.068 14.955 2.711 1.00 1.00 H new ATOM 0 HB2 PRO A 50 -5.211 14.941 0.953 1.00 1.00 H new ATOM 0 HB3 PRO A 50 -3.697 14.145 0.571 1.00 1.00 H new ATOM 0 HG2 PRO A 50 -6.318 12.911 1.384 1.00 1.00 H new ATOM 0 HG3 PRO A 50 -5.034 12.217 0.414 1.00 1.00 H new ATOM 0 HD2 PRO A 50 -5.508 11.632 3.160 1.00 1.00 H new ATOM 0 HD3 PRO A 50 -4.049 11.219 2.281 1.00 1.00 H new ATOM 841 N GLY A 51 -6.239 14.953 3.605 1.00 1.00 N ATOM 842 CA GLY A 51 -7.220 15.801 4.353 1.00 1.00 C ATOM 843 C GLY A 51 -8.633 15.239 4.173 1.00 1.00 C ATOM 844 O GLY A 51 -9.265 14.823 5.127 1.00 1.00 O ATOM 0 H GLY A 51 -6.619 14.087 3.223 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -6.961 15.826 5.411 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -7.178 16.828 3.990 1.00 1.00 H new ATOM 848 N ARG A 52 -9.128 15.224 2.954 1.00 1.00 N ATOM 849 CA ARG A 52 -10.502 14.685 2.699 1.00 1.00 C ATOM 850 C ARG A 52 -10.552 13.207 3.105 1.00 1.00 C ATOM 851 O ARG A 52 -11.528 12.744 3.665 1.00 1.00 O ATOM 852 CB ARG A 52 -10.843 14.818 1.210 1.00 1.00 C ATOM 853 CG ARG A 52 -11.864 15.943 1.014 1.00 1.00 C ATOM 854 CD ARG A 52 -13.264 15.438 1.377 1.00 1.00 C ATOM 855 NE ARG A 52 -13.745 16.138 2.602 1.00 1.00 N ATOM 856 CZ ARG A 52 -14.730 16.995 2.522 1.00 1.00 C ATOM 857 NH1 ARG A 52 -14.500 18.220 2.124 1.00 1.00 N ATOM 858 NH2 ARG A 52 -15.943 16.626 2.842 1.00 1.00 N ATOM 0 H ARG A 52 -8.638 15.562 2.126 1.00 1.00 H new ATOM 0 HA ARG A 52 -11.226 15.251 3.285 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -9.940 15.029 0.637 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -11.246 13.878 0.834 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -11.602 16.798 1.638 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -11.847 16.286 -0.020 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -13.952 15.616 0.550 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -13.241 14.361 1.546 1.00 1.00 H new ATOM 0 HE ARG A 52 -13.306 15.949 3.503 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -13.553 18.506 1.876 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -15.268 18.889 2.061 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -16.120 15.671 3.154 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -16.712 17.293 2.780 1.00 1.00 H new ATOM 872 N LEU A 53 -9.496 12.471 2.832 1.00 1.00 N ATOM 873 CA LEU A 53 -9.456 11.024 3.203 1.00 1.00 C ATOM 874 C LEU A 53 -9.483 10.881 4.731 1.00 1.00 C ATOM 875 O LEU A 53 -10.055 9.948 5.253 1.00 1.00 O ATOM 876 CB LEU A 53 -8.175 10.387 2.654 1.00 1.00 C ATOM 877 CG LEU A 53 -8.457 9.770 1.280 1.00 1.00 C ATOM 878 CD1 LEU A 53 -8.154 10.793 0.184 1.00 1.00 C ATOM 879 CD2 LEU A 53 -7.570 8.538 1.085 1.00 1.00 C ATOM 0 H LEU A 53 -8.658 12.817 2.365 1.00 1.00 H new ATOM 0 HA LEU A 53 -10.324 10.520 2.777 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -7.389 11.138 2.572 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -7.814 9.621 3.341 1.00 1.00 H new ATOM 0 HG LEU A 53 -9.506 9.479 1.223 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -8.356 10.351 -0.792 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -8.784 11.671 0.322 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -7.106 11.086 0.240 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -7.769 8.097 0.108 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -6.522 8.831 1.144 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -7.787 7.807 1.864 1.00 1.00 H new ATOM 891 N LYS A 54 -8.867 11.798 5.447 1.00 1.00 N ATOM 892 CA LYS A 54 -8.846 11.727 6.947 1.00 1.00 C ATOM 893 C LYS A 54 -10.266 11.507 7.497 1.00 1.00 C ATOM 894 O LYS A 54 -10.454 10.811 8.479 1.00 1.00 O ATOM 895 CB LYS A 54 -8.286 13.037 7.512 1.00 1.00 C ATOM 896 CG LYS A 54 -7.533 12.757 8.816 1.00 1.00 C ATOM 897 CD LYS A 54 -8.447 13.049 10.010 1.00 1.00 C ATOM 898 CE LYS A 54 -7.595 13.360 11.245 1.00 1.00 C ATOM 899 NZ LYS A 54 -7.781 12.288 12.265 1.00 1.00 N ATOM 0 H LYS A 54 -8.374 12.599 5.052 1.00 1.00 H new ATOM 0 HA LYS A 54 -8.216 10.890 7.248 1.00 1.00 H new ATOM 0 HB2 LYS A 54 -7.617 13.500 6.787 1.00 1.00 H new ATOM 0 HB3 LYS A 54 -9.097 13.742 7.693 1.00 1.00 H new ATOM 0 HG2 LYS A 54 -7.204 11.718 8.842 1.00 1.00 H new ATOM 0 HG3 LYS A 54 -6.637 13.376 8.871 1.00 1.00 H new ATOM 0 HD2 LYS A 54 -9.099 13.892 9.784 1.00 1.00 H new ATOM 0 HD3 LYS A 54 -9.091 12.192 10.206 1.00 1.00 H new ATOM 0 HE2 LYS A 54 -6.544 13.431 10.965 1.00 1.00 H new ATOM 0 HE3 LYS A 54 -7.880 14.326 11.662 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 -7.202 12.501 13.102 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 -8.783 12.241 12.540 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 -7.488 11.374 11.865 1.00 1.00 H new ATOM 913 N ASN A 55 -11.261 12.099 6.877 1.00 1.00 N ATOM 914 CA ASN A 55 -12.668 11.934 7.364 1.00 1.00 C ATOM 915 C ASN A 55 -13.289 10.661 6.767 1.00 1.00 C ATOM 916 O ASN A 55 -14.081 9.995 7.410 1.00 1.00 O ATOM 917 CB ASN A 55 -13.499 13.153 6.939 1.00 1.00 C ATOM 918 CG ASN A 55 -13.043 14.405 7.706 1.00 1.00 C ATOM 919 OD1 ASN A 55 -12.023 14.400 8.371 1.00 1.00 O ATOM 920 ND2 ASN A 55 -13.764 15.492 7.639 1.00 1.00 N ATOM 0 H ASN A 55 -11.158 12.691 6.053 1.00 1.00 H new ATOM 0 HA ASN A 55 -12.661 11.851 8.451 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -13.394 13.317 5.867 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -14.556 12.966 7.131 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -13.471 16.330 8.142 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -14.620 15.503 7.084 1.00 1.00 H new ATOM 927 N ARG A 56 -12.945 10.327 5.543 1.00 1.00 N ATOM 928 CA ARG A 56 -13.520 9.105 4.890 1.00 1.00 C ATOM 929 C ARG A 56 -12.857 7.832 5.439 1.00 1.00 C ATOM 930 O ARG A 56 -13.502 6.807 5.580 1.00 1.00 O ATOM 931 CB ARG A 56 -13.289 9.187 3.377 1.00 1.00 C ATOM 932 CG ARG A 56 -14.424 8.465 2.643 1.00 1.00 C ATOM 933 CD ARG A 56 -15.116 9.437 1.682 1.00 1.00 C ATOM 934 NE ARG A 56 -15.362 8.758 0.377 1.00 1.00 N ATOM 935 CZ ARG A 56 -15.154 9.399 -0.743 1.00 1.00 C ATOM 936 NH1 ARG A 56 -13.963 9.402 -1.283 1.00 1.00 N ATOM 937 NH2 ARG A 56 -16.139 10.036 -1.324 1.00 1.00 N ATOM 0 H ARG A 56 -12.287 10.851 4.966 1.00 1.00 H new ATOM 0 HA ARG A 56 -14.588 9.061 5.105 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -13.244 10.230 3.062 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -12.331 8.735 3.120 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -14.029 7.612 2.091 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -15.144 8.074 3.362 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -16.059 9.778 2.110 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -14.496 10.321 1.533 1.00 1.00 H new ATOM 0 HE ARG A 56 -15.693 7.793 0.359 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -13.196 8.904 -0.830 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -13.801 9.902 -2.157 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -17.068 10.032 -0.903 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -15.978 10.536 -2.198 1.00 1.00 H new ATOM 951 N ILE A 57 -11.576 7.883 5.736 1.00 1.00 N ATOM 952 CA ILE A 57 -10.861 6.673 6.262 1.00 1.00 C ATOM 953 C ILE A 57 -11.502 6.199 7.574 1.00 1.00 C ATOM 954 O ILE A 57 -11.917 6.995 8.399 1.00 1.00 O ATOM 955 CB ILE A 57 -9.377 6.999 6.508 1.00 1.00 C ATOM 956 CG1 ILE A 57 -9.249 8.139 7.528 1.00 1.00 C ATOM 957 CG2 ILE A 57 -8.710 7.417 5.195 1.00 1.00 C ATOM 958 CD1 ILE A 57 -8.597 7.610 8.806 1.00 1.00 C ATOM 0 H ILE A 57 -10.994 8.715 5.636 1.00 1.00 H new ATOM 0 HA ILE A 57 -10.940 5.879 5.519 1.00 1.00 H new ATOM 0 HB ILE A 57 -8.884 6.109 6.899 1.00 1.00 H new ATOM 0 HG12 ILE A 57 -8.651 8.949 7.111 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -10.232 8.552 7.753 1.00 1.00 H new ATOM 0 HG21 ILE A 57 -7.660 7.646 5.377 1.00 1.00 H new ATOM 0 HG22 ILE A 57 -8.784 6.603 4.474 1.00 1.00 H new ATOM 0 HG23 ILE A 57 -9.210 8.300 4.798 1.00 1.00 H new ATOM 0 HD11 ILE A 57 -8.506 8.420 9.530 1.00 1.00 H new ATOM 0 HD12 ILE A 57 -9.213 6.815 9.226 1.00 1.00 H new ATOM 0 HD13 ILE A 57 -7.607 7.218 8.574 1.00 1.00 H new ATOM 970 N TRP A 58 -11.579 4.903 7.763 1.00 1.00 N ATOM 971 CA TRP A 58 -12.181 4.350 9.014 1.00 1.00 C ATOM 972 C TRP A 58 -11.421 3.080 9.427 1.00 1.00 C ATOM 973 O TRP A 58 -12.007 2.038 9.670 1.00 1.00 O ATOM 974 CB TRP A 58 -13.661 4.028 8.770 1.00 1.00 C ATOM 975 CG TRP A 58 -14.400 4.085 10.070 1.00 1.00 C ATOM 976 CD1 TRP A 58 -14.735 3.010 10.820 1.00 1.00 C ATOM 977 CD2 TRP A 58 -14.895 5.254 10.784 1.00 1.00 C ATOM 978 NE1 TRP A 58 -15.405 3.446 11.950 1.00 1.00 N ATOM 979 CE2 TRP A 58 -15.528 4.820 11.973 1.00 1.00 C ATOM 980 CE3 TRP A 58 -14.856 6.635 10.519 1.00 1.00 C ATOM 981 CZ2 TRP A 58 -16.102 5.725 12.867 1.00 1.00 C ATOM 982 CZ3 TRP A 58 -15.433 7.548 11.417 1.00 1.00 C ATOM 983 CH2 TRP A 58 -16.056 7.093 12.588 1.00 1.00 C ATOM 0 H TRP A 58 -11.248 4.202 7.100 1.00 1.00 H new ATOM 0 HA TRP A 58 -12.107 5.085 9.816 1.00 1.00 H new ATOM 0 HB2 TRP A 58 -14.088 4.740 8.064 1.00 1.00 H new ATOM 0 HB3 TRP A 58 -13.761 3.038 8.325 1.00 1.00 H new ATOM 0 HD1 TRP A 58 -14.516 1.981 10.577 1.00 1.00 H new ATOM 0 HE1 TRP A 58 -15.764 2.827 12.677 1.00 1.00 H new ATOM 0 HE3 TRP A 58 -14.379 6.996 9.619 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 -16.579 5.370 13.769 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 -15.397 8.606 11.204 1.00 1.00 H new ATOM 0 HH2 TRP A 58 -16.500 7.800 13.274 1.00 1.00 H new ATOM 994 N VAL A 59 -10.113 3.166 9.513 1.00 1.00 N ATOM 995 CA VAL A 59 -9.298 1.977 9.917 1.00 1.00 C ATOM 996 C VAL A 59 -9.578 1.654 11.390 1.00 1.00 C ATOM 997 O VAL A 59 -9.627 2.537 12.230 1.00 1.00 O ATOM 998 CB VAL A 59 -7.803 2.272 9.713 1.00 1.00 C ATOM 999 CG1 VAL A 59 -7.547 2.629 8.247 1.00 1.00 C ATOM 1000 CG2 VAL A 59 -7.372 3.446 10.598 1.00 1.00 C ATOM 0 H VAL A 59 -9.575 4.011 9.320 1.00 1.00 H new ATOM 0 HA VAL A 59 -9.569 1.120 9.301 1.00 1.00 H new ATOM 0 HB VAL A 59 -7.229 1.386 9.984 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -6.487 2.838 8.103 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -7.841 1.793 7.612 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -8.130 3.510 7.980 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -6.311 3.646 10.446 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -7.950 4.332 10.335 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -7.547 3.196 11.644 1.00 1.00 H new ATOM 1010 N ARG A 60 -9.779 0.397 11.707 1.00 1.00 N ATOM 1011 CA ARG A 60 -10.076 0.015 13.121 1.00 1.00 C ATOM 1012 C ARG A 60 -9.296 -1.245 13.509 1.00 1.00 C ATOM 1013 O ARG A 60 -8.593 -1.260 14.504 1.00 1.00 O ATOM 1014 CB ARG A 60 -11.578 -0.254 13.265 1.00 1.00 C ATOM 1015 CG ARG A 60 -12.081 0.327 14.589 1.00 1.00 C ATOM 1016 CD ARG A 60 -13.573 0.020 14.747 1.00 1.00 C ATOM 1017 NE ARG A 60 -14.059 0.562 16.049 1.00 1.00 N ATOM 1018 CZ ARG A 60 -14.330 1.837 16.170 1.00 1.00 C ATOM 1019 NH1 ARG A 60 -15.334 2.357 15.512 1.00 1.00 N ATOM 1020 NH2 ARG A 60 -13.597 2.588 16.950 1.00 1.00 N ATOM 0 H ARG A 60 -9.750 -0.380 11.046 1.00 1.00 H new ATOM 0 HA ARG A 60 -9.777 0.831 13.779 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -12.119 0.194 12.431 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -11.770 -1.326 13.231 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -11.521 -0.099 15.421 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -11.916 1.404 14.612 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -14.135 0.463 13.925 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -13.740 -1.056 14.704 1.00 1.00 H new ATOM 0 HE ARG A 60 -14.180 -0.062 16.847 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -15.905 1.769 14.905 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -15.546 3.350 15.606 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -12.815 2.180 17.463 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -13.807 3.582 17.045 1.00 1.00 H new ATOM 1034 N GLU A 61 -9.428 -2.303 12.744 1.00 1.00 N ATOM 1035 CA GLU A 61 -8.710 -3.572 13.077 1.00 1.00 C ATOM 1036 C GLU A 61 -7.522 -3.805 12.127 1.00 1.00 C ATOM 1037 O GLU A 61 -6.669 -4.629 12.406 1.00 1.00 O ATOM 1038 CB GLU A 61 -9.686 -4.748 12.965 1.00 1.00 C ATOM 1039 CG GLU A 61 -10.549 -4.822 14.231 1.00 1.00 C ATOM 1040 CD GLU A 61 -11.664 -5.854 14.036 1.00 1.00 C ATOM 1041 OE1 GLU A 61 -12.726 -5.471 13.570 1.00 1.00 O ATOM 1042 OE2 GLU A 61 -11.439 -7.010 14.360 1.00 1.00 O ATOM 0 H GLU A 61 -10.003 -2.341 11.902 1.00 1.00 H new ATOM 0 HA GLU A 61 -8.326 -3.494 14.094 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -10.320 -4.625 12.087 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -9.135 -5.679 12.833 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -9.933 -5.096 15.087 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -10.979 -3.844 14.447 1.00 1.00 H new ATOM 1049 N GLY A 62 -7.448 -3.100 11.015 1.00 1.00 N ATOM 1050 CA GLY A 62 -6.309 -3.312 10.078 1.00 1.00 C ATOM 1051 C GLY A 62 -6.780 -3.108 8.637 1.00 1.00 C ATOM 1052 O GLY A 62 -7.246 -4.029 7.990 1.00 1.00 O ATOM 0 H GLY A 62 -8.125 -2.395 10.725 1.00 1.00 H new ATOM 0 HA2 GLY A 62 -5.502 -2.617 10.309 1.00 1.00 H new ATOM 0 HA3 GLY A 62 -5.908 -4.318 10.200 1.00 1.00 H new ATOM 1056 N ASP A 63 -6.644 -1.909 8.132 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.061 -1.617 6.719 1.00 1.00 C ATOM 1058 C ASP A 63 -5.820 -1.694 5.821 1.00 1.00 C ATOM 1059 O ASP A 63 -4.708 -1.615 6.309 1.00 1.00 O ATOM 1060 CB ASP A 63 -7.670 -0.211 6.645 1.00 1.00 C ATOM 1061 CG ASP A 63 -9.143 -0.305 6.237 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -9.402 -0.523 5.063 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -9.989 -0.153 7.104 1.00 1.00 O ATOM 0 H ASP A 63 -6.260 -1.111 8.638 1.00 1.00 H new ATOM 0 HA ASP A 63 -7.805 -2.342 6.388 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.582 0.285 7.612 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -7.121 0.396 5.924 1.00 1.00 H new ATOM 1068 N VAL A 64 -5.977 -1.856 4.525 1.00 1.00 N ATOM 1069 CA VAL A 64 -4.761 -1.949 3.644 1.00 1.00 C ATOM 1070 C VAL A 64 -4.541 -0.623 2.920 1.00 1.00 C ATOM 1071 O VAL A 64 -5.482 0.040 2.518 1.00 1.00 O ATOM 1072 CB VAL A 64 -4.899 -3.085 2.620 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -3.578 -3.857 2.557 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -6.020 -4.046 3.028 1.00 1.00 C ATOM 0 H VAL A 64 -6.875 -1.927 4.046 1.00 1.00 H new ATOM 0 HA VAL A 64 -3.901 -2.166 4.278 1.00 1.00 H new ATOM 0 HB VAL A 64 -5.140 -2.658 1.647 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -3.664 -4.667 1.833 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -2.777 -3.183 2.254 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -3.352 -4.272 3.539 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -6.102 -4.844 2.290 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -5.793 -4.476 4.004 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -6.963 -3.503 3.081 1.00 1.00 H new ATOM 1084 N VAL A 65 -3.299 -0.223 2.770 1.00 1.00 N ATOM 1085 CA VAL A 65 -3.008 1.076 2.093 1.00 1.00 C ATOM 1086 C VAL A 65 -1.758 0.975 1.213 1.00 1.00 C ATOM 1087 O VAL A 65 -0.892 0.146 1.427 1.00 1.00 O ATOM 1088 CB VAL A 65 -2.775 2.164 3.158 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -3.976 2.237 4.103 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -1.514 1.842 3.972 1.00 1.00 C ATOM 0 H VAL A 65 -2.479 -0.740 3.087 1.00 1.00 H new ATOM 0 HA VAL A 65 -3.861 1.329 1.463 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.648 3.122 2.654 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -3.803 3.009 4.853 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -4.873 2.480 3.533 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -4.109 1.275 4.597 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -1.358 2.617 4.722 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -1.636 0.878 4.466 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -0.652 1.802 3.306 1.00 1.00 H new ATOM 1100 N ILE A 66 -1.631 1.870 0.267 1.00 1.00 N ATOM 1101 CA ILE A 66 -0.400 1.897 -0.588 1.00 1.00 C ATOM 1102 C ILE A 66 0.478 3.015 -0.018 1.00 1.00 C ATOM 1103 O ILE A 66 -0.042 4.003 0.477 1.00 1.00 O ATOM 1104 CB ILE A 66 -0.760 2.170 -2.055 1.00 1.00 C ATOM 1105 CG1 ILE A 66 0.440 1.828 -2.946 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -1.135 3.644 -2.250 1.00 1.00 C ATOM 1107 CD1 ILE A 66 -0.003 0.889 -4.070 1.00 1.00 C ATOM 0 H ILE A 66 -2.325 2.584 0.048 1.00 1.00 H new ATOM 0 HA ILE A 66 0.119 0.939 -0.574 1.00 1.00 H new ATOM 0 HB ILE A 66 -1.614 1.551 -2.329 1.00 1.00 H new ATOM 0 HG12 ILE A 66 0.864 2.740 -3.367 1.00 1.00 H new ATOM 0 HG13 ILE A 66 1.223 1.356 -2.352 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -1.387 3.820 -3.296 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -1.993 3.887 -1.624 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -0.291 4.274 -1.969 1.00 1.00 H new ATOM 0 HD11 ILE A 66 0.852 0.648 -4.701 1.00 1.00 H new ATOM 0 HD12 ILE A 66 -0.407 -0.028 -3.640 1.00 1.00 H new ATOM 0 HD13 ILE A 66 -0.771 1.377 -4.670 1.00 1.00 H new ATOM 1119 N VAL A 67 1.784 2.872 -0.015 1.00 1.00 N ATOM 1120 CA VAL A 67 2.606 3.950 0.612 1.00 1.00 C ATOM 1121 C VAL A 67 3.752 4.447 -0.287 1.00 1.00 C ATOM 1122 O VAL A 67 4.321 3.728 -1.103 1.00 1.00 O ATOM 1123 CB VAL A 67 3.189 3.451 1.950 1.00 1.00 C ATOM 1124 CG1 VAL A 67 2.260 2.407 2.577 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.568 2.825 1.724 1.00 1.00 C ATOM 0 H VAL A 67 2.299 2.083 -0.406 1.00 1.00 H new ATOM 0 HA VAL A 67 1.936 4.795 0.772 1.00 1.00 H new ATOM 0 HB VAL A 67 3.282 4.303 2.623 1.00 1.00 H new ATOM 0 HG11 VAL A 67 2.683 2.063 3.521 1.00 1.00 H new ATOM 0 HG12 VAL A 67 1.282 2.853 2.759 1.00 1.00 H new ATOM 0 HG13 VAL A 67 2.153 1.561 1.898 1.00 1.00 H new ATOM 0 HG21 VAL A 67 4.970 2.476 2.675 1.00 1.00 H new ATOM 0 HG22 VAL A 67 4.477 1.983 1.038 1.00 1.00 H new ATOM 0 HG23 VAL A 67 5.240 3.570 1.297 1.00 1.00 H new ATOM 1135 N LYS A 68 4.110 5.686 -0.053 1.00 1.00 N ATOM 1136 CA LYS A 68 5.235 6.356 -0.761 1.00 1.00 C ATOM 1137 C LYS A 68 6.396 6.414 0.229 1.00 1.00 C ATOM 1138 O LYS A 68 6.146 6.507 1.418 1.00 1.00 O ATOM 1139 CB LYS A 68 4.831 7.780 -1.166 1.00 1.00 C ATOM 1140 CG LYS A 68 3.746 7.729 -2.246 1.00 1.00 C ATOM 1141 CD LYS A 68 3.817 9.003 -3.090 1.00 1.00 C ATOM 1142 CE LYS A 68 2.501 9.197 -3.846 1.00 1.00 C ATOM 1143 NZ LYS A 68 2.787 9.582 -5.257 1.00 1.00 N ATOM 0 H LYS A 68 3.644 6.282 0.631 1.00 1.00 H new ATOM 0 HA LYS A 68 5.507 5.813 -1.666 1.00 1.00 H new ATOM 0 HB2 LYS A 68 4.464 8.324 -0.296 1.00 1.00 H new ATOM 0 HB3 LYS A 68 5.701 8.322 -1.538 1.00 1.00 H new ATOM 0 HG2 LYS A 68 3.886 6.852 -2.878 1.00 1.00 H new ATOM 0 HG3 LYS A 68 2.762 7.637 -1.786 1.00 1.00 H new ATOM 0 HD2 LYS A 68 4.010 9.864 -2.450 1.00 1.00 H new ATOM 0 HD3 LYS A 68 4.646 8.938 -3.795 1.00 1.00 H new ATOM 0 HE2 LYS A 68 1.916 8.277 -3.821 1.00 1.00 H new ATOM 0 HE3 LYS A 68 1.902 9.969 -3.362 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 1.892 9.713 -5.769 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 3.328 10.470 -5.272 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 3.341 8.831 -5.716 1.00 1.00 H new ATOM 1157 N PRO A 69 7.609 6.346 -0.267 1.00 1.00 N ATOM 1158 CA PRO A 69 8.812 6.342 0.590 1.00 1.00 C ATOM 1159 C PRO A 69 9.328 7.753 0.900 1.00 1.00 C ATOM 1160 O PRO A 69 9.417 8.614 0.042 1.00 1.00 O ATOM 1161 CB PRO A 69 9.841 5.632 -0.282 1.00 1.00 C ATOM 1162 CG PRO A 69 9.378 5.811 -1.753 1.00 1.00 C ATOM 1163 CD PRO A 69 7.896 6.224 -1.708 1.00 1.00 C ATOM 0 HA PRO A 69 8.612 5.878 1.556 1.00 1.00 H new ATOM 0 HB2 PRO A 69 10.833 6.058 -0.134 1.00 1.00 H new ATOM 0 HB3 PRO A 69 9.905 4.575 -0.022 1.00 1.00 H new ATOM 0 HG2 PRO A 69 9.976 6.571 -2.256 1.00 1.00 H new ATOM 0 HG3 PRO A 69 9.504 4.884 -2.313 1.00 1.00 H new ATOM 0 HD2 PRO A 69 7.727 7.165 -2.231 1.00 1.00 H new ATOM 0 HD3 PRO A 69 7.258 5.478 -2.181 1.00 1.00 H new ATOM 1171 N TRP A 70 9.665 7.970 2.154 1.00 1.00 N ATOM 1172 CA TRP A 70 10.183 9.291 2.613 1.00 1.00 C ATOM 1173 C TRP A 70 11.574 9.064 3.197 1.00 1.00 C ATOM 1174 O TRP A 70 11.684 8.372 4.213 1.00 1.00 O ATOM 1175 CB TRP A 70 9.368 9.856 3.766 1.00 1.00 C ATOM 1176 CG TRP A 70 8.097 10.285 3.272 1.00 1.00 C ATOM 1177 CD1 TRP A 70 7.383 9.591 2.406 1.00 1.00 C ATOM 1178 CD2 TRP A 70 7.357 11.472 3.602 1.00 1.00 C ATOM 1179 NE1 TRP A 70 6.254 10.248 2.168 1.00 1.00 N ATOM 1180 CE2 TRP A 70 6.171 11.426 2.877 1.00 1.00 C ATOM 1181 CE3 TRP A 70 7.593 12.571 4.450 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 5.232 12.421 2.971 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 6.639 13.594 4.551 1.00 1.00 C ATOM 1184 CH2 TRP A 70 5.453 13.518 3.810 1.00 1.00 C ATOM 0 H TRP A 70 9.599 7.267 2.890 1.00 1.00 H new ATOM 0 HA TRP A 70 10.154 9.970 1.760 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.235 9.099 4.539 1.00 1.00 H new ATOM 0 HB3 TRP A 70 9.895 10.692 4.225 1.00 1.00 H new ATOM 0 HD1 TRP A 70 7.669 8.647 1.965 1.00 1.00 H new ATOM 0 HE1 TRP A 70 5.529 9.917 1.531 1.00 1.00 H new ATOM 0 HE3 TRP A 70 8.507 12.626 5.022 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 4.320 12.357 2.396 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 6.819 14.439 5.199 1.00 1.00 H new ATOM 0 HH2 TRP A 70 4.714 14.302 3.886 1.00 1.00 H new ATOM 1195 N GLU A 71 12.609 9.638 2.626 1.00 1.00 N ATOM 1196 CA GLU A 71 13.996 9.455 3.181 1.00 1.00 C ATOM 1197 C GLU A 71 14.263 7.959 3.469 1.00 1.00 C ATOM 1198 O GLU A 71 13.766 7.092 2.770 1.00 1.00 O ATOM 1199 CB GLU A 71 14.136 10.279 4.471 1.00 1.00 C ATOM 1200 CG GLU A 71 13.878 11.759 4.173 1.00 1.00 C ATOM 1201 CD GLU A 71 15.191 12.541 4.286 1.00 1.00 C ATOM 1202 OE1 GLU A 71 15.891 12.634 3.290 1.00 1.00 O ATOM 1203 OE2 GLU A 71 15.474 13.037 5.365 1.00 1.00 O ATOM 0 H GLU A 71 12.555 10.228 1.796 1.00 1.00 H new ATOM 0 HA GLU A 71 14.728 9.799 2.450 1.00 1.00 H new ATOM 0 HB2 GLU A 71 13.430 9.921 5.220 1.00 1.00 H new ATOM 0 HB3 GLU A 71 15.135 10.152 4.888 1.00 1.00 H new ATOM 0 HG2 GLU A 71 13.460 11.872 3.172 1.00 1.00 H new ATOM 0 HG3 GLU A 71 13.143 12.159 4.872 1.00 1.00 H new ATOM 1210 N VAL A 72 15.045 7.649 4.488 1.00 1.00 N ATOM 1211 CA VAL A 72 15.336 6.218 4.815 1.00 1.00 C ATOM 1212 C VAL A 72 15.722 6.096 6.307 1.00 1.00 C ATOM 1213 O VAL A 72 14.879 5.800 7.136 1.00 1.00 O ATOM 1214 CB VAL A 72 16.453 5.689 3.887 1.00 1.00 C ATOM 1215 CG1 VAL A 72 17.553 6.746 3.702 1.00 1.00 C ATOM 1216 CG2 VAL A 72 17.062 4.408 4.473 1.00 1.00 C ATOM 0 H VAL A 72 15.491 8.330 5.103 1.00 1.00 H new ATOM 0 HA VAL A 72 14.448 5.608 4.648 1.00 1.00 H new ATOM 0 HB VAL A 72 16.013 5.469 2.914 1.00 1.00 H new ATOM 0 HG11 VAL A 72 18.329 6.353 3.045 1.00 1.00 H new ATOM 0 HG12 VAL A 72 17.124 7.644 3.259 1.00 1.00 H new ATOM 0 HG13 VAL A 72 17.988 6.992 4.671 1.00 1.00 H new ATOM 0 HG21 VAL A 72 17.848 4.043 3.812 1.00 1.00 H new ATOM 0 HG22 VAL A 72 17.484 4.622 5.455 1.00 1.00 H new ATOM 0 HG23 VAL A 72 16.287 3.648 4.569 1.00 1.00 H new ATOM 1226 N GLN A 73 16.977 6.323 6.658 1.00 1.00 N ATOM 1227 CA GLN A 73 17.413 6.227 8.093 1.00 1.00 C ATOM 1228 C GLN A 73 16.918 4.903 8.712 1.00 1.00 C ATOM 1229 O GLN A 73 16.721 3.921 8.017 1.00 1.00 O ATOM 1230 CB GLN A 73 16.841 7.419 8.878 1.00 1.00 C ATOM 1231 CG GLN A 73 17.222 8.736 8.190 1.00 1.00 C ATOM 1232 CD GLN A 73 16.075 9.742 8.333 1.00 1.00 C ATOM 1233 OE1 GLN A 73 16.183 10.705 9.066 1.00 1.00 O ATOM 1234 NE2 GLN A 73 14.969 9.557 7.661 1.00 1.00 N ATOM 0 H GLN A 73 17.719 6.572 6.004 1.00 1.00 H new ATOM 0 HA GLN A 73 18.502 6.248 8.141 1.00 1.00 H new ATOM 0 HB2 GLN A 73 15.756 7.334 8.943 1.00 1.00 H new ATOM 0 HB3 GLN A 73 17.223 7.409 9.899 1.00 1.00 H new ATOM 0 HG2 GLN A 73 18.131 9.140 8.635 1.00 1.00 H new ATOM 0 HG3 GLN A 73 17.434 8.559 7.136 1.00 1.00 H new ATOM 0 HE21 GLN A 73 14.876 8.749 7.045 1.00 1.00 H new ATOM 0 HE22 GLN A 73 14.200 10.220 7.753 1.00 1.00 H new ATOM 1243 N GLY A 74 16.708 4.874 10.013 1.00 1.00 N ATOM 1244 CA GLY A 74 16.213 3.627 10.675 1.00 1.00 C ATOM 1245 C GLY A 74 14.677 3.662 10.776 1.00 1.00 C ATOM 1246 O GLY A 74 14.086 2.932 11.550 1.00 1.00 O ATOM 0 H GLY A 74 16.860 5.663 10.641 1.00 1.00 H new ATOM 0 HA2 GLY A 74 16.529 2.753 10.106 1.00 1.00 H new ATOM 0 HA3 GLY A 74 16.650 3.535 11.669 1.00 1.00 H new ATOM 1250 N ASP A 75 14.035 4.506 9.996 1.00 1.00 N ATOM 1251 CA ASP A 75 12.539 4.612 10.020 1.00 1.00 C ATOM 1252 C ASP A 75 12.107 5.463 8.824 1.00 1.00 C ATOM 1253 O ASP A 75 12.718 6.480 8.538 1.00 1.00 O ATOM 1254 CB ASP A 75 12.063 5.278 11.324 1.00 1.00 C ATOM 1255 CG ASP A 75 13.079 6.332 11.793 1.00 1.00 C ATOM 1256 OD1 ASP A 75 13.114 7.402 11.203 1.00 1.00 O ATOM 1257 OD2 ASP A 75 13.801 6.053 12.736 1.00 1.00 O ATOM 0 H ASP A 75 14.493 5.134 9.335 1.00 1.00 H new ATOM 0 HA ASP A 75 12.099 3.616 9.967 1.00 1.00 H new ATOM 0 HB2 ASP A 75 11.091 5.746 11.166 1.00 1.00 H new ATOM 0 HB3 ASP A 75 11.931 4.522 12.098 1.00 1.00 H new ATOM 1262 N GLN A 76 11.088 5.061 8.099 1.00 1.00 N ATOM 1263 CA GLN A 76 10.691 5.875 6.910 1.00 1.00 C ATOM 1264 C GLN A 76 9.317 6.519 7.086 1.00 1.00 C ATOM 1265 O GLN A 76 8.452 6.025 7.796 1.00 1.00 O ATOM 1266 CB GLN A 76 10.663 4.982 5.669 1.00 1.00 C ATOM 1267 CG GLN A 76 12.017 5.050 4.956 1.00 1.00 C ATOM 1268 CD GLN A 76 11.819 4.883 3.444 1.00 1.00 C ATOM 1269 OE1 GLN A 76 10.880 5.406 2.877 1.00 1.00 O ATOM 1270 NE2 GLN A 76 12.678 4.176 2.760 1.00 1.00 N ATOM 0 H GLN A 76 10.528 4.226 8.274 1.00 1.00 H new ATOM 0 HA GLN A 76 11.426 6.672 6.798 1.00 1.00 H new ATOM 0 HB2 GLN A 76 10.442 3.953 5.954 1.00 1.00 H new ATOM 0 HB3 GLN A 76 9.869 5.304 4.995 1.00 1.00 H new ATOM 0 HG2 GLN A 76 12.501 6.004 5.165 1.00 1.00 H new ATOM 0 HG3 GLN A 76 12.677 4.269 5.334 1.00 1.00 H new ATOM 0 HE21 GLN A 76 13.467 3.736 3.233 1.00 1.00 H new ATOM 0 HE22 GLN A 76 12.560 4.064 1.753 1.00 1.00 H new ATOM 1279 N LYS A 77 9.108 7.609 6.389 1.00 1.00 N ATOM 1280 CA LYS A 77 7.772 8.295 6.434 1.00 1.00 C ATOM 1281 C LYS A 77 7.062 7.917 5.152 1.00 1.00 C ATOM 1282 O LYS A 77 7.706 7.624 4.174 1.00 1.00 O ATOM 1283 CB LYS A 77 7.956 9.815 6.547 1.00 1.00 C ATOM 1284 CG LYS A 77 6.635 10.467 6.970 1.00 1.00 C ATOM 1285 CD LYS A 77 6.355 10.160 8.443 1.00 1.00 C ATOM 1286 CE LYS A 77 5.097 10.909 8.887 1.00 1.00 C ATOM 1287 NZ LYS A 77 5.196 11.242 10.337 1.00 1.00 N ATOM 0 H LYS A 77 9.802 8.056 5.790 1.00 1.00 H new ATOM 0 HA LYS A 77 7.189 7.988 7.302 1.00 1.00 H new ATOM 0 HB2 LYS A 77 8.734 10.043 7.275 1.00 1.00 H new ATOM 0 HB3 LYS A 77 8.284 10.223 5.591 1.00 1.00 H new ATOM 0 HG2 LYS A 77 6.685 11.545 6.817 1.00 1.00 H new ATOM 0 HG3 LYS A 77 5.820 10.094 6.350 1.00 1.00 H new ATOM 0 HD2 LYS A 77 6.222 9.087 8.584 1.00 1.00 H new ATOM 0 HD3 LYS A 77 7.205 10.459 9.056 1.00 1.00 H new ATOM 0 HE2 LYS A 77 4.979 11.821 8.302 1.00 1.00 H new ATOM 0 HE3 LYS A 77 4.214 10.297 8.704 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 4.340 11.751 10.636 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 5.288 10.365 10.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 6.030 11.842 10.499 1.00 1.00 H new ATOM 1301 N CYS A 78 5.772 7.851 5.119 1.00 1.00 N ATOM 1302 CA CYS A 78 5.128 7.432 3.844 1.00 1.00 C ATOM 1303 C CYS A 78 3.833 8.189 3.600 1.00 1.00 C ATOM 1304 O CYS A 78 3.124 8.558 4.521 1.00 1.00 O ATOM 1305 CB CYS A 78 4.850 5.925 3.879 1.00 1.00 C ATOM 1306 SG CYS A 78 3.492 5.557 5.013 1.00 1.00 S ATOM 0 H CYS A 78 5.143 8.061 5.894 1.00 1.00 H new ATOM 0 HA CYS A 78 5.811 7.663 3.027 1.00 1.00 H new ATOM 0 HB2 CYS A 78 4.601 5.572 2.878 1.00 1.00 H new ATOM 0 HB3 CYS A 78 5.747 5.391 4.192 1.00 1.00 H new ATOM 0 HG CYS A 78 3.272 4.276 5.026 1.00 1.00 H new ATOM 1312 N ASP A 79 3.490 8.362 2.351 1.00 1.00 N ATOM 1313 CA ASP A 79 2.191 9.034 2.021 1.00 1.00 C ATOM 1314 C ASP A 79 1.238 7.893 1.700 1.00 1.00 C ATOM 1315 O ASP A 79 1.539 7.076 0.844 1.00 1.00 O ATOM 1316 CB ASP A 79 2.352 9.957 0.807 1.00 1.00 C ATOM 1317 CG ASP A 79 1.451 11.188 0.970 1.00 1.00 C ATOM 1318 OD1 ASP A 79 0.240 11.023 0.942 1.00 1.00 O ATOM 1319 OD2 ASP A 79 1.987 12.274 1.120 1.00 1.00 O ATOM 0 H ASP A 79 4.046 8.071 1.547 1.00 1.00 H new ATOM 0 HA ASP A 79 1.831 9.658 2.839 1.00 1.00 H new ATOM 0 HB2 ASP A 79 3.393 10.266 0.709 1.00 1.00 H new ATOM 0 HB3 ASP A 79 2.091 9.422 -0.106 1.00 1.00 H new ATOM 1324 N ILE A 80 0.155 7.747 2.410 1.00 1.00 N ATOM 1325 CA ILE A 80 -0.695 6.547 2.139 1.00 1.00 C ATOM 1326 C ILE A 80 -2.114 6.851 1.699 1.00 1.00 C ATOM 1327 O ILE A 80 -2.706 7.869 2.011 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.768 5.657 3.383 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -1.112 6.489 4.628 1.00 1.00 C ATOM 1330 CG2 ILE A 80 0.575 4.968 3.581 1.00 1.00 C ATOM 1331 CD1 ILE A 80 -2.595 6.318 4.965 1.00 1.00 C ATOM 0 H ILE A 80 -0.173 8.378 3.141 1.00 1.00 H new ATOM 0 HA ILE A 80 -0.203 6.047 1.305 1.00 1.00 H new ATOM 0 HB ILE A 80 -1.552 4.913 3.241 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -0.498 6.172 5.471 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -0.888 7.541 4.449 1.00 1.00 H new ATOM 0 HG21 ILE A 80 0.531 4.332 4.465 1.00 1.00 H new ATOM 0 HG22 ILE A 80 0.804 4.358 2.707 1.00 1.00 H new ATOM 0 HG23 ILE A 80 1.353 5.719 3.713 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -2.838 6.909 5.848 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -3.201 6.657 4.124 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -2.804 5.267 5.163 1.00 1.00 H new ATOM 1343 N ILE A 81 -2.658 5.874 1.025 1.00 1.00 N ATOM 1344 CA ILE A 81 -4.073 5.917 0.564 1.00 1.00 C ATOM 1345 C ILE A 81 -4.765 4.737 1.256 1.00 1.00 C ATOM 1346 O ILE A 81 -4.254 3.624 1.248 1.00 1.00 O ATOM 1347 CB ILE A 81 -4.152 5.801 -0.971 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -5.490 6.375 -1.452 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -4.045 4.339 -1.413 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -5.319 7.850 -1.821 1.00 1.00 C ATOM 0 H ILE A 81 -2.162 5.021 0.768 1.00 1.00 H new ATOM 0 HA ILE A 81 -4.556 6.860 0.818 1.00 1.00 H new ATOM 0 HB ILE A 81 -3.322 6.359 -1.405 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -5.847 5.814 -2.315 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -6.243 6.271 -0.670 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -4.103 4.282 -2.500 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -3.093 3.927 -1.079 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -4.862 3.766 -0.975 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -6.273 8.253 -2.162 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -4.982 8.407 -0.947 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -4.580 7.943 -2.617 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.881 4.977 1.905 1.00 1.00 N ATOM 1363 CA TRP A 82 -6.560 3.881 2.663 1.00 1.00 C ATOM 1364 C TRP A 82 -7.700 3.254 1.852 1.00 1.00 C ATOM 1365 O TRP A 82 -8.372 3.911 1.077 1.00 1.00 O ATOM 1366 CB TRP A 82 -7.087 4.461 3.994 1.00 1.00 C ATOM 1367 CG TRP A 82 -8.451 3.925 4.321 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -8.701 2.874 5.137 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -9.748 4.396 3.854 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -10.068 2.671 5.200 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -10.756 3.585 4.426 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -10.143 5.440 2.998 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -12.108 3.802 4.157 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -11.502 5.660 2.724 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -12.483 4.843 3.303 1.00 1.00 C ATOM 0 H TRP A 82 -6.349 5.883 1.941 1.00 1.00 H new ATOM 0 HA TRP A 82 -5.842 3.085 2.861 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -6.395 4.215 4.799 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -7.127 5.548 3.929 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -7.955 2.289 5.654 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -10.513 1.937 5.750 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -9.395 6.077 2.548 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -12.860 3.170 4.606 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -11.793 6.463 2.063 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -13.527 5.018 3.089 1.00 1.00 H new ATOM 1386 N ARG A 83 -7.912 1.973 2.059 1.00 1.00 N ATOM 1387 CA ARG A 83 -9.001 1.239 1.348 1.00 1.00 C ATOM 1388 C ARG A 83 -9.034 -0.223 1.824 1.00 1.00 C ATOM 1389 O ARG A 83 -8.083 -0.727 2.409 1.00 1.00 O ATOM 1390 CB ARG A 83 -8.759 1.280 -0.165 1.00 1.00 C ATOM 1391 CG ARG A 83 -10.057 1.674 -0.879 1.00 1.00 C ATOM 1392 CD ARG A 83 -9.975 3.135 -1.329 1.00 1.00 C ATOM 1393 NE ARG A 83 -11.056 3.416 -2.316 1.00 1.00 N ATOM 1394 CZ ARG A 83 -11.627 4.591 -2.346 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -11.112 5.549 -3.073 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -12.712 4.809 -1.648 1.00 1.00 N ATOM 0 H ARG A 83 -7.365 1.400 2.702 1.00 1.00 H new ATOM 0 HA ARG A 83 -9.956 1.716 1.570 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.971 1.996 -0.399 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -8.419 0.306 -0.516 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -10.220 1.027 -1.741 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -10.907 1.536 -0.211 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -10.073 3.797 -0.469 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -9.001 3.334 -1.775 1.00 1.00 H new ATOM 0 HE ARG A 83 -11.351 2.690 -2.969 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -10.265 5.378 -3.616 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -11.557 6.466 -3.097 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -13.112 4.062 -1.080 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -13.158 5.726 -1.671 1.00 1.00 H new ATOM 1410 N TYR A 84 -10.124 -0.906 1.571 1.00 1.00 N ATOM 1411 CA TYR A 84 -10.240 -2.335 1.989 1.00 1.00 C ATOM 1412 C TYR A 84 -10.006 -3.235 0.771 1.00 1.00 C ATOM 1413 O TYR A 84 -9.205 -4.152 0.814 1.00 1.00 O ATOM 1414 CB TYR A 84 -11.638 -2.590 2.561 1.00 1.00 C ATOM 1415 CG TYR A 84 -11.623 -3.850 3.394 1.00 1.00 C ATOM 1416 CD1 TYR A 84 -10.983 -3.858 4.640 1.00 1.00 C ATOM 1417 CD2 TYR A 84 -12.247 -5.011 2.920 1.00 1.00 C ATOM 1418 CE1 TYR A 84 -10.967 -5.026 5.411 1.00 1.00 C ATOM 1419 CE2 TYR A 84 -12.233 -6.178 3.692 1.00 1.00 C ATOM 1420 CZ TYR A 84 -11.592 -6.186 4.938 1.00 1.00 C ATOM 1421 OH TYR A 84 -11.578 -7.337 5.699 1.00 1.00 O ATOM 0 H TYR A 84 -10.942 -0.531 1.090 1.00 1.00 H new ATOM 0 HA TYR A 84 -9.496 -2.557 2.754 1.00 1.00 H new ATOM 0 HB2 TYR A 84 -11.953 -1.743 3.171 1.00 1.00 H new ATOM 0 HB3 TYR A 84 -12.361 -2.686 1.751 1.00 1.00 H new ATOM 0 HD1 TYR A 84 -10.502 -2.963 5.006 1.00 1.00 H new ATOM 0 HD2 TYR A 84 -12.739 -5.005 1.959 1.00 1.00 H new ATOM 0 HE1 TYR A 84 -10.472 -5.032 6.371 1.00 1.00 H new ATOM 0 HE2 TYR A 84 -12.716 -7.072 3.328 1.00 1.00 H new ATOM 0 HH TYR A 84 -12.057 -8.048 5.225 1.00 1.00 H new ATOM 1431 N THR A 85 -10.699 -2.972 -0.315 1.00 1.00 N ATOM 1432 CA THR A 85 -10.526 -3.798 -1.549 1.00 1.00 C ATOM 1433 C THR A 85 -10.205 -2.873 -2.735 1.00 1.00 C ATOM 1434 O THR A 85 -11.014 -2.681 -3.627 1.00 1.00 O ATOM 1435 CB THR A 85 -11.812 -4.594 -1.829 1.00 1.00 C ATOM 1436 OG1 THR A 85 -12.946 -3.742 -1.704 1.00 1.00 O ATOM 1437 CG2 THR A 85 -11.929 -5.751 -0.834 1.00 1.00 C ATOM 0 H THR A 85 -11.379 -2.216 -0.396 1.00 1.00 H new ATOM 0 HA THR A 85 -9.705 -4.501 -1.408 1.00 1.00 H new ATOM 0 HB THR A 85 -11.771 -4.991 -2.843 1.00 1.00 H new ATOM 0 HG1 THR A 85 -12.862 -2.992 -2.330 1.00 1.00 H new ATOM 0 HG21 THR A 85 -12.841 -6.313 -1.035 1.00 1.00 H new ATOM 0 HG22 THR A 85 -11.067 -6.409 -0.939 1.00 1.00 H new ATOM 0 HG23 THR A 85 -11.963 -5.356 0.181 1.00 1.00 H new ATOM 1445 N LYS A 86 -9.023 -2.302 -2.748 1.00 1.00 N ATOM 1446 CA LYS A 86 -8.629 -1.389 -3.867 1.00 1.00 C ATOM 1447 C LYS A 86 -8.008 -2.204 -5.008 1.00 1.00 C ATOM 1448 O LYS A 86 -7.585 -3.331 -4.825 1.00 1.00 O ATOM 1449 CB LYS A 86 -7.611 -0.362 -3.358 1.00 1.00 C ATOM 1450 CG LYS A 86 -8.216 1.044 -3.427 1.00 1.00 C ATOM 1451 CD LYS A 86 -7.801 1.724 -4.733 1.00 1.00 C ATOM 1452 CE LYS A 86 -7.924 3.243 -4.579 1.00 1.00 C ATOM 1453 NZ LYS A 86 -7.215 3.920 -5.702 1.00 1.00 N ATOM 0 H LYS A 86 -8.312 -2.430 -2.028 1.00 1.00 H new ATOM 0 HA LYS A 86 -9.514 -0.871 -4.236 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -7.326 -0.596 -2.332 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -6.703 -0.407 -3.959 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -9.303 0.985 -3.366 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -7.881 1.636 -2.576 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -6.775 1.455 -4.986 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -8.432 1.378 -5.552 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -8.974 3.534 -4.571 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -7.499 3.557 -3.626 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -7.300 4.951 -5.595 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -6.210 3.652 -5.690 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -7.640 3.630 -6.606 1.00 1.00 H new ATOM 1467 N THR A 87 -7.948 -1.630 -6.187 1.00 1.00 N ATOM 1468 CA THR A 87 -7.354 -2.350 -7.361 1.00 1.00 C ATOM 1469 C THR A 87 -5.815 -2.282 -7.320 1.00 1.00 C ATOM 1470 O THR A 87 -5.148 -2.845 -8.170 1.00 1.00 O ATOM 1471 CB THR A 87 -7.858 -1.711 -8.665 1.00 1.00 C ATOM 1472 OG1 THR A 87 -7.855 -0.292 -8.541 1.00 1.00 O ATOM 1473 CG2 THR A 87 -9.280 -2.194 -8.957 1.00 1.00 C ATOM 0 H THR A 87 -8.287 -0.689 -6.388 1.00 1.00 H new ATOM 0 HA THR A 87 -7.660 -3.395 -7.318 1.00 1.00 H new ATOM 0 HB THR A 87 -7.199 -2.002 -9.483 1.00 1.00 H new ATOM 0 HG1 THR A 87 -8.175 0.110 -9.375 1.00 1.00 H new ATOM 0 HG21 THR A 87 -9.636 -1.740 -9.882 1.00 1.00 H new ATOM 0 HG22 THR A 87 -9.281 -3.279 -9.061 1.00 1.00 H new ATOM 0 HG23 THR A 87 -9.937 -1.908 -8.136 1.00 1.00 H new ATOM 1481 N GLN A 88 -5.247 -1.606 -6.342 1.00 1.00 N ATOM 1482 CA GLN A 88 -3.753 -1.509 -6.255 1.00 1.00 C ATOM 1483 C GLN A 88 -3.235 -2.434 -5.146 1.00 1.00 C ATOM 1484 O GLN A 88 -2.359 -3.247 -5.379 1.00 1.00 O ATOM 1485 CB GLN A 88 -3.317 -0.060 -5.963 1.00 1.00 C ATOM 1486 CG GLN A 88 -4.411 0.695 -5.195 1.00 1.00 C ATOM 1487 CD GLN A 88 -3.829 1.977 -4.597 1.00 1.00 C ATOM 1488 OE1 GLN A 88 -3.616 2.059 -3.404 1.00 1.00 O ATOM 1489 NE2 GLN A 88 -3.563 2.988 -5.379 1.00 1.00 N ATOM 0 H GLN A 88 -5.755 -1.119 -5.603 1.00 1.00 H new ATOM 0 HA GLN A 88 -3.332 -1.815 -7.213 1.00 1.00 H new ATOM 0 HB2 GLN A 88 -2.395 -0.063 -5.382 1.00 1.00 H new ATOM 0 HB3 GLN A 88 -3.102 0.455 -6.899 1.00 1.00 H new ATOM 0 HG2 GLN A 88 -5.237 0.936 -5.863 1.00 1.00 H new ATOM 0 HG3 GLN A 88 -4.815 0.064 -4.404 1.00 1.00 H new ATOM 0 HE21 GLN A 88 -3.742 2.919 -6.381 1.00 1.00 H new ATOM 0 HE22 GLN A 88 -3.176 3.847 -4.988 1.00 1.00 H new ATOM 1498 N VAL A 89 -3.765 -2.320 -3.946 1.00 1.00 N ATOM 1499 CA VAL A 89 -3.297 -3.196 -2.825 1.00 1.00 C ATOM 1500 C VAL A 89 -3.654 -4.662 -3.124 1.00 1.00 C ATOM 1501 O VAL A 89 -2.910 -5.563 -2.784 1.00 1.00 O ATOM 1502 CB VAL A 89 -3.940 -2.753 -1.502 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -3.498 -3.694 -0.376 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -3.485 -1.329 -1.161 1.00 1.00 C ATOM 0 H VAL A 89 -4.500 -1.658 -3.698 1.00 1.00 H new ATOM 0 HA VAL A 89 -2.215 -3.106 -2.733 1.00 1.00 H new ATOM 0 HB VAL A 89 -5.025 -2.781 -1.606 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -3.955 -3.379 0.562 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.812 -4.712 -0.608 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -2.413 -3.662 -0.280 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -3.942 -1.016 -0.222 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -2.400 -1.308 -1.061 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -3.789 -0.649 -1.957 1.00 1.00 H new ATOM 1514 N GLU A 90 -4.773 -4.910 -3.766 1.00 1.00 N ATOM 1515 CA GLU A 90 -5.153 -6.321 -4.094 1.00 1.00 C ATOM 1516 C GLU A 90 -4.107 -6.919 -5.047 1.00 1.00 C ATOM 1517 O GLU A 90 -3.748 -8.077 -4.936 1.00 1.00 O ATOM 1518 CB GLU A 90 -6.531 -6.345 -4.765 1.00 1.00 C ATOM 1519 CG GLU A 90 -7.625 -6.325 -3.692 1.00 1.00 C ATOM 1520 CD GLU A 90 -9.003 -6.436 -4.355 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -9.423 -7.551 -4.620 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -9.614 -5.405 -4.584 1.00 1.00 O ATOM 0 H GLU A 90 -5.436 -4.199 -4.075 1.00 1.00 H new ATOM 0 HA GLU A 90 -5.192 -6.908 -3.177 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -6.640 -5.485 -5.426 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -6.630 -7.237 -5.383 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -7.479 -7.150 -2.995 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -7.563 -5.404 -3.113 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.617 -6.127 -5.979 1.00 1.00 N ATOM 1530 CA TRP A 91 -2.590 -6.623 -6.950 1.00 1.00 C ATOM 1531 C TRP A 91 -1.281 -6.947 -6.219 1.00 1.00 C ATOM 1532 O TRP A 91 -0.773 -8.051 -6.313 1.00 1.00 O ATOM 1533 CB TRP A 91 -2.327 -5.542 -8.004 1.00 1.00 C ATOM 1534 CG TRP A 91 -3.143 -5.818 -9.227 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -4.432 -6.232 -9.231 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -2.748 -5.702 -10.624 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -4.850 -6.383 -10.540 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -3.847 -6.066 -11.436 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -1.552 -5.322 -11.257 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -3.764 -6.052 -12.828 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -1.463 -5.306 -12.659 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -2.568 -5.671 -13.442 1.00 1.00 C ATOM 0 H TRP A 91 -3.889 -5.152 -6.106 1.00 1.00 H new ATOM 0 HA TRP A 91 -2.962 -7.528 -7.429 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -2.578 -4.560 -7.602 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -1.268 -5.520 -8.260 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -5.036 -6.415 -8.354 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -5.784 -6.691 -10.811 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -0.696 -5.040 -10.662 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -4.618 -6.333 -13.427 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 -0.540 -5.011 -13.136 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -2.494 -5.658 -14.519 1.00 1.00 H new ATOM 1553 N LEU A 92 -0.731 -5.992 -5.497 1.00 1.00 N ATOM 1554 CA LEU A 92 0.553 -6.238 -4.757 1.00 1.00 C ATOM 1555 C LEU A 92 0.376 -7.411 -3.781 1.00 1.00 C ATOM 1556 O LEU A 92 1.296 -8.177 -3.559 1.00 1.00 O ATOM 1557 CB LEU A 92 0.998 -4.977 -3.992 1.00 1.00 C ATOM 1558 CG LEU A 92 -0.177 -4.347 -3.232 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -0.195 -4.855 -1.788 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -0.018 -2.823 -3.235 1.00 1.00 C ATOM 0 H LEU A 92 -1.117 -5.054 -5.389 1.00 1.00 H new ATOM 0 HA LEU A 92 1.327 -6.486 -5.483 1.00 1.00 H new ATOM 0 HB2 LEU A 92 1.792 -5.235 -3.291 1.00 1.00 H new ATOM 0 HB3 LEU A 92 1.413 -4.251 -4.691 1.00 1.00 H new ATOM 0 HG LEU A 92 -1.113 -4.622 -3.719 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -1.031 -4.404 -1.254 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -0.305 -5.939 -1.785 1.00 1.00 H new ATOM 0 HD13 LEU A 92 0.739 -4.584 -1.295 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -0.850 -2.369 -2.696 1.00 1.00 H new ATOM 0 HD22 LEU A 92 0.919 -2.554 -2.748 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -0.010 -2.460 -4.263 1.00 1.00 H new ATOM 1572 N LYS A 93 -0.801 -7.563 -3.213 1.00 1.00 N ATOM 1573 CA LYS A 93 -1.050 -8.694 -2.267 1.00 1.00 C ATOM 1574 C LYS A 93 -0.784 -10.022 -2.992 1.00 1.00 C ATOM 1575 O LYS A 93 -0.058 -10.872 -2.501 1.00 1.00 O ATOM 1576 CB LYS A 93 -2.506 -8.648 -1.793 1.00 1.00 C ATOM 1577 CG LYS A 93 -2.575 -7.965 -0.424 1.00 1.00 C ATOM 1578 CD LYS A 93 -4.011 -7.512 -0.146 1.00 1.00 C ATOM 1579 CE LYS A 93 -4.843 -8.699 0.350 1.00 1.00 C ATOM 1580 NZ LYS A 93 -4.489 -9.007 1.766 1.00 1.00 N ATOM 0 H LYS A 93 -1.600 -6.948 -3.367 1.00 1.00 H new ATOM 0 HA LYS A 93 -0.388 -8.609 -1.405 1.00 1.00 H new ATOM 0 HB2 LYS A 93 -3.117 -8.105 -2.514 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -2.911 -9.658 -1.728 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -2.243 -8.653 0.354 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -1.902 -7.108 -0.400 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -4.013 -6.717 0.600 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -4.454 -7.099 -1.052 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -5.905 -8.468 0.273 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -4.660 -9.571 -0.278 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -5.240 -9.586 2.193 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -3.590 -9.530 1.793 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -4.390 -8.120 2.300 1.00 1.00 H new ATOM 1594 N ARG A 94 -1.354 -10.191 -4.167 1.00 1.00 N ATOM 1595 CA ARG A 94 -1.132 -11.446 -4.952 1.00 1.00 C ATOM 1596 C ARG A 94 0.368 -11.622 -5.218 1.00 1.00 C ATOM 1597 O ARG A 94 0.878 -12.726 -5.222 1.00 1.00 O ATOM 1598 CB ARG A 94 -1.881 -11.357 -6.286 1.00 1.00 C ATOM 1599 CG ARG A 94 -3.319 -11.851 -6.103 1.00 1.00 C ATOM 1600 CD ARG A 94 -3.713 -12.734 -7.290 1.00 1.00 C ATOM 1601 NE ARG A 94 -4.962 -12.208 -7.912 1.00 1.00 N ATOM 1602 CZ ARG A 94 -6.128 -12.638 -7.507 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -6.544 -13.827 -7.856 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -6.876 -11.877 -6.751 1.00 1.00 N ATOM 0 H ARG A 94 -1.965 -9.508 -4.615 1.00 1.00 H new ATOM 0 HA ARG A 94 -1.504 -12.299 -4.385 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -1.882 -10.328 -6.646 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -1.373 -11.958 -7.040 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -3.406 -12.414 -5.174 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -3.999 -11.002 -6.026 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -2.909 -12.753 -8.025 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -3.865 -13.761 -6.958 1.00 1.00 H new ATOM 0 HE ARG A 94 -4.906 -11.511 -8.655 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -5.959 -14.420 -8.445 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -7.454 -14.162 -7.540 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -6.549 -10.950 -6.479 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -7.786 -12.210 -6.434 1.00 1.00 H new ATOM 1618 N LYS A 95 1.074 -10.531 -5.429 1.00 1.00 N ATOM 1619 CA LYS A 95 2.545 -10.605 -5.684 1.00 1.00 C ATOM 1620 C LYS A 95 3.264 -11.160 -4.447 1.00 1.00 C ATOM 1621 O LYS A 95 4.247 -11.869 -4.567 1.00 1.00 O ATOM 1622 CB LYS A 95 3.083 -9.204 -5.995 1.00 1.00 C ATOM 1623 CG LYS A 95 3.222 -9.033 -7.508 1.00 1.00 C ATOM 1624 CD LYS A 95 3.368 -7.546 -7.841 1.00 1.00 C ATOM 1625 CE LYS A 95 4.024 -7.389 -9.216 1.00 1.00 C ATOM 1626 NZ LYS A 95 4.240 -5.941 -9.500 1.00 1.00 N ATOM 0 H LYS A 95 0.687 -9.587 -5.435 1.00 1.00 H new ATOM 0 HA LYS A 95 2.725 -11.265 -6.532 1.00 1.00 H new ATOM 0 HB2 LYS A 95 2.409 -8.447 -5.594 1.00 1.00 H new ATOM 0 HB3 LYS A 95 4.049 -9.059 -5.512 1.00 1.00 H new ATOM 0 HG2 LYS A 95 4.090 -9.585 -7.869 1.00 1.00 H new ATOM 0 HG3 LYS A 95 2.349 -9.446 -8.013 1.00 1.00 H new ATOM 0 HD2 LYS A 95 2.390 -7.064 -7.836 1.00 1.00 H new ATOM 0 HD3 LYS A 95 3.971 -7.050 -7.080 1.00 1.00 H new ATOM 0 HE2 LYS A 95 4.975 -7.921 -9.240 1.00 1.00 H new ATOM 0 HE3 LYS A 95 3.391 -7.831 -9.986 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 4.685 -5.833 -10.434 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 3.326 -5.446 -9.493 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 4.860 -5.533 -8.771 1.00 1.00 H new ATOM 1640 N GLY A 96 2.779 -10.851 -3.260 1.00 1.00 N ATOM 1641 CA GLY A 96 3.432 -11.370 -2.021 1.00 1.00 C ATOM 1642 C GLY A 96 3.292 -12.891 -1.983 1.00 1.00 C ATOM 1643 O GLY A 96 4.239 -13.602 -1.701 1.00 1.00 O ATOM 0 H GLY A 96 1.961 -10.263 -3.103 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.485 -11.089 -2.005 1.00 1.00 H new ATOM 0 HA3 GLY A 96 2.970 -10.927 -1.139 1.00 1.00 H new ATOM 1647 N TYR A 97 2.115 -13.388 -2.282 1.00 1.00 N ATOM 1648 CA TYR A 97 1.888 -14.871 -2.285 1.00 1.00 C ATOM 1649 C TYR A 97 2.722 -15.501 -3.407 1.00 1.00 C ATOM 1650 O TYR A 97 3.270 -16.577 -3.255 1.00 1.00 O ATOM 1651 CB TYR A 97 0.399 -15.193 -2.512 1.00 1.00 C ATOM 1652 CG TYR A 97 -0.484 -14.140 -1.868 1.00 1.00 C ATOM 1653 CD1 TYR A 97 -0.151 -13.601 -0.616 1.00 1.00 C ATOM 1654 CD2 TYR A 97 -1.631 -13.697 -2.534 1.00 1.00 C ATOM 1655 CE1 TYR A 97 -0.964 -12.623 -0.036 1.00 1.00 C ATOM 1656 CE2 TYR A 97 -2.445 -12.720 -1.955 1.00 1.00 C ATOM 1657 CZ TYR A 97 -2.113 -12.182 -0.705 1.00 1.00 C ATOM 1658 OH TYR A 97 -2.918 -11.219 -0.131 1.00 1.00 O ATOM 0 H TYR A 97 1.298 -12.829 -2.525 1.00 1.00 H new ATOM 0 HA TYR A 97 2.187 -15.277 -1.319 1.00 1.00 H new ATOM 0 HB2 TYR A 97 0.192 -15.243 -3.581 1.00 1.00 H new ATOM 0 HB3 TYR A 97 0.167 -16.173 -2.096 1.00 1.00 H new ATOM 0 HD1 TYR A 97 0.734 -13.942 -0.100 1.00 1.00 H new ATOM 0 HD2 TYR A 97 -1.888 -14.111 -3.498 1.00 1.00 H new ATOM 0 HE1 TYR A 97 -0.707 -12.208 0.927 1.00 1.00 H new ATOM 0 HE2 TYR A 97 -3.330 -12.380 -2.471 1.00 1.00 H new ATOM 0 HH TYR A 97 -2.436 -10.786 0.604 1.00 1.00 H new ATOM 1668 N LEU A 98 2.825 -14.821 -4.528 1.00 1.00 N ATOM 1669 CA LEU A 98 3.624 -15.334 -5.678 1.00 1.00 C ATOM 1670 C LEU A 98 5.065 -15.593 -5.220 1.00 1.00 C ATOM 1671 O LEU A 98 5.581 -16.687 -5.348 1.00 1.00 O ATOM 1672 CB LEU A 98 3.628 -14.261 -6.764 1.00 1.00 C ATOM 1673 CG LEU A 98 3.583 -14.897 -8.145 1.00 1.00 C ATOM 1674 CD1 LEU A 98 3.733 -13.795 -9.186 1.00 1.00 C ATOM 1675 CD2 LEU A 98 4.731 -15.897 -8.291 1.00 1.00 C ATOM 0 H LEU A 98 2.380 -13.918 -4.691 1.00 1.00 H new ATOM 0 HA LEU A 98 3.195 -16.262 -6.057 1.00 1.00 H new ATOM 0 HB2 LEU A 98 2.771 -13.601 -6.634 1.00 1.00 H new ATOM 0 HB3 LEU A 98 4.522 -13.645 -6.671 1.00 1.00 H new ATOM 0 HG LEU A 98 2.638 -15.422 -8.284 1.00 1.00 H new ATOM 0 HD11 LEU A 98 3.703 -14.231 -10.184 1.00 1.00 H new ATOM 0 HD12 LEU A 98 2.918 -13.079 -9.078 1.00 1.00 H new ATOM 0 HD13 LEU A 98 4.685 -13.285 -9.041 1.00 1.00 H new ATOM 0 HD21 LEU A 98 4.695 -16.350 -9.282 1.00 1.00 H new ATOM 0 HD22 LEU A 98 5.682 -15.380 -8.163 1.00 1.00 H new ATOM 0 HD23 LEU A 98 4.635 -16.674 -7.533 1.00 1.00 H new ATOM 1687 N ASP A 99 5.705 -14.585 -4.680 1.00 1.00 N ATOM 1688 CA ASP A 99 7.112 -14.738 -4.192 1.00 1.00 C ATOM 1689 C ASP A 99 7.175 -15.824 -3.105 1.00 1.00 C ATOM 1690 O ASP A 99 8.150 -16.546 -3.003 1.00 1.00 O ATOM 1691 CB ASP A 99 7.591 -13.401 -3.612 1.00 1.00 C ATOM 1692 CG ASP A 99 9.069 -13.504 -3.216 1.00 1.00 C ATOM 1693 OD1 ASP A 99 9.908 -13.363 -4.092 1.00 1.00 O ATOM 1694 OD2 ASP A 99 9.335 -13.718 -2.044 1.00 1.00 O ATOM 0 H ASP A 99 5.309 -13.653 -4.555 1.00 1.00 H new ATOM 0 HA ASP A 99 7.754 -15.031 -5.023 1.00 1.00 H new ATOM 0 HB2 ASP A 99 7.457 -12.607 -4.347 1.00 1.00 H new ATOM 0 HB3 ASP A 99 6.990 -13.136 -2.742 1.00 1.00 H new ATOM 1699 N GLU A 100 6.143 -15.938 -2.293 1.00 1.00 N ATOM 1700 CA GLU A 100 6.133 -16.970 -1.207 1.00 1.00 C ATOM 1701 C GLU A 100 6.276 -18.377 -1.811 1.00 1.00 C ATOM 1702 O GLU A 100 7.168 -19.121 -1.446 1.00 1.00 O ATOM 1703 CB GLU A 100 4.819 -16.879 -0.425 1.00 1.00 C ATOM 1704 CG GLU A 100 4.951 -15.835 0.689 1.00 1.00 C ATOM 1705 CD GLU A 100 3.559 -15.382 1.146 1.00 1.00 C ATOM 1706 OE1 GLU A 100 2.854 -16.188 1.732 1.00 1.00 O ATOM 1707 OE2 GLU A 100 3.221 -14.235 0.905 1.00 1.00 O ATOM 0 H GLU A 100 5.306 -15.357 -2.339 1.00 1.00 H new ATOM 0 HA GLU A 100 6.972 -16.786 -0.535 1.00 1.00 H new ATOM 0 HB2 GLU A 100 4.004 -16.608 -1.096 1.00 1.00 H new ATOM 0 HB3 GLU A 100 4.571 -17.851 0.002 1.00 1.00 H new ATOM 0 HG2 GLU A 100 5.501 -16.256 1.531 1.00 1.00 H new ATOM 0 HG3 GLU A 100 5.523 -14.979 0.331 1.00 1.00 H new ATOM 1714 N LEU A 101 5.412 -18.743 -2.735 1.00 1.00 N ATOM 1715 CA LEU A 101 5.509 -20.101 -3.365 1.00 1.00 C ATOM 1716 C LEU A 101 5.235 -20.009 -4.876 1.00 1.00 C ATOM 1717 O LEU A 101 4.605 -19.080 -5.346 1.00 1.00 O ATOM 1718 CB LEU A 101 4.528 -21.102 -2.705 1.00 1.00 C ATOM 1719 CG LEU A 101 3.139 -20.488 -2.410 1.00 1.00 C ATOM 1720 CD1 LEU A 101 3.227 -19.496 -1.249 1.00 1.00 C ATOM 1721 CD2 LEU A 101 2.582 -19.781 -3.650 1.00 1.00 C ATOM 0 H LEU A 101 4.648 -18.161 -3.078 1.00 1.00 H new ATOM 0 HA LEU A 101 6.522 -20.470 -3.207 1.00 1.00 H new ATOM 0 HB2 LEU A 101 4.405 -21.965 -3.359 1.00 1.00 H new ATOM 0 HB3 LEU A 101 4.962 -21.466 -1.774 1.00 1.00 H new ATOM 0 HG LEU A 101 2.465 -21.300 -2.136 1.00 1.00 H new ATOM 0 HD11 LEU A 101 2.241 -19.074 -1.055 1.00 1.00 H new ATOM 0 HD12 LEU A 101 3.583 -20.011 -0.357 1.00 1.00 H new ATOM 0 HD13 LEU A 101 3.920 -18.695 -1.506 1.00 1.00 H new ATOM 0 HD21 LEU A 101 1.605 -19.357 -3.419 1.00 1.00 H new ATOM 0 HD22 LEU A 101 3.262 -18.984 -3.950 1.00 1.00 H new ATOM 0 HD23 LEU A 101 2.483 -20.499 -4.464 1.00 1.00 H new ATOM 1733 N LEU A 102 5.723 -20.972 -5.633 1.00 1.00 N ATOM 1734 CA LEU A 102 5.524 -20.979 -7.123 1.00 1.00 C ATOM 1735 C LEU A 102 6.440 -19.931 -7.782 1.00 1.00 C ATOM 1736 O LEU A 102 7.313 -20.333 -8.535 1.00 1.00 O ATOM 1737 CB LEU A 102 4.054 -20.686 -7.471 1.00 1.00 C ATOM 1738 CG LEU A 102 3.758 -21.167 -8.895 1.00 1.00 C ATOM 1739 CD1 LEU A 102 3.038 -22.516 -8.843 1.00 1.00 C ATOM 1740 CD2 LEU A 102 2.869 -20.143 -9.606 1.00 1.00 C ATOM 1741 OXT LEU A 102 6.259 -18.748 -7.526 1.00 1.00 O ATOM 0 H LEU A 102 6.258 -21.763 -5.275 1.00 1.00 H new ATOM 0 HA LEU A 102 5.782 -21.967 -7.504 1.00 1.00 H new ATOM 0 HB2 LEU A 102 3.395 -21.188 -6.762 1.00 1.00 H new ATOM 0 HB3 LEU A 102 3.856 -19.617 -7.389 1.00 1.00 H new ATOM 0 HG LEU A 102 4.695 -21.277 -9.440 1.00 1.00 H new ATOM 0 HD11 LEU A 102 2.829 -22.856 -9.857 1.00 1.00 H new ATOM 0 HD12 LEU A 102 3.670 -23.247 -8.339 1.00 1.00 H new ATOM 0 HD13 LEU A 102 2.101 -22.408 -8.296 1.00 1.00 H new ATOM 0 HD21 LEU A 102 2.658 -20.485 -10.619 1.00 1.00 H new ATOM 0 HD22 LEU A 102 1.933 -20.032 -9.059 1.00 1.00 H new ATOM 0 HD23 LEU A 102 3.382 -19.182 -9.647 1.00 1.00 H new TER 1753 LEU A 102