USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 827 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 NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 20 SER OG : rot 180:sc= 0.337 USER MOD Set 1.2: A 27 SER OG : rot -75:sc= 0.356 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0324 (180deg=-0.00531) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= 1.18 (180deg=1.05) USER MOD Single : A 9 TYR OH : rot 70:sc= 0.857 USER MOD Single : A 13 TYR OH : rot -15:sc= 1.89 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.328 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= 1.28 (180deg=1.12) USER MOD Single : A 32 SER OG : rot 180:sc=-0.00139 USER MOD Single : A 35 MET CE :methyl -178:sc= -0.0755 (180deg=-0.0822) USER MOD Single : A 38 MET CE :methyl 160:sc= -1.16 (180deg=-2.46!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 41 SER OG : rot 170:sc= 0.826 USER MOD Single : A 43 MET CE :methyl -119:sc= 0 (180deg=-0.0996) USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 1.99 (180deg=1.98) USER MOD Single : A 50 HIS : no HD1:sc= -0.0484 K(o=-0.048,f=-0.73) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= -0.116 K(o=-0.12,f=-0.74) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.00043) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.05 K(o=1,f=-0.4) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.12) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.17) USER MOD Single : A 88 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00121 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.806 K(o=0.81,f=-0.42) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 163:sc= 2.34 (180deg=1.92) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.336 -11.117 25.345 1.00 0.00 N ATOM 2 CA MET A 1 -2.573 -9.928 24.875 1.00 0.00 C ATOM 3 C MET A 1 -2.124 -10.118 23.423 1.00 0.00 C ATOM 4 O MET A 1 -1.945 -11.253 22.973 1.00 0.00 O ATOM 5 CB MET A 1 -1.358 -9.613 25.773 1.00 0.00 C ATOM 6 CG MET A 1 -1.752 -9.155 27.184 1.00 0.00 C ATOM 7 SD MET A 1 -0.341 -8.693 28.228 1.00 0.00 S ATOM 8 CE MET A 1 -1.223 -8.235 29.746 1.00 0.00 C ATOM 0 H1 MET A 1 -4.319 -10.843 25.543 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.323 -11.851 24.609 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.899 -11.489 26.213 1.00 0.00 H new ATOM 0 HA MET A 1 -3.248 -9.074 24.935 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.730 -10.501 25.848 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.757 -8.836 25.300 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.426 -8.302 27.104 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.307 -9.955 27.673 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.505 -7.922 30.504 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.909 -7.414 29.535 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.786 -9.093 30.113 1.00 0.00 H new ATOM 20 N ALA A 2 -1.939 -9.019 22.682 1.00 0.00 N ATOM 21 CA ALA A 2 -1.521 -9.013 21.274 1.00 0.00 C ATOM 22 C ALA A 2 -0.621 -7.805 20.931 1.00 0.00 C ATOM 23 O ALA A 2 -0.600 -6.797 21.644 1.00 0.00 O ATOM 24 CB ALA A 2 -2.780 -9.033 20.394 1.00 0.00 C ATOM 0 H ALA A 2 -2.080 -8.081 23.056 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.916 -9.900 21.084 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.490 -9.029 19.343 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.359 -9.932 20.607 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.386 -8.152 20.606 1.00 0.00 H new ATOM 30 N GLU A 3 0.112 -7.897 19.818 1.00 0.00 N ATOM 31 CA GLU A 3 0.945 -6.815 19.271 1.00 0.00 C ATOM 32 C GLU A 3 0.093 -5.707 18.613 1.00 0.00 C ATOM 33 O GLU A 3 -0.980 -5.972 18.064 1.00 0.00 O ATOM 34 CB GLU A 3 1.959 -7.432 18.288 1.00 0.00 C ATOM 35 CG GLU A 3 3.007 -6.440 17.769 1.00 0.00 C ATOM 36 CD GLU A 3 4.095 -7.154 16.945 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.759 -7.776 15.910 1.00 0.00 O ATOM 38 OE2 GLU A 3 5.289 -7.087 17.327 1.00 0.00 O ATOM 0 H GLU A 3 0.145 -8.747 19.255 1.00 0.00 H new ATOM 0 HA GLU A 3 1.484 -6.324 20.082 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.470 -8.260 18.780 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.418 -7.851 17.439 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.521 -5.683 17.154 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.467 -5.921 18.610 1.00 0.00 H new ATOM 45 N SER A 4 0.580 -4.461 18.631 1.00 0.00 N ATOM 46 CA SER A 4 -0.088 -3.286 18.036 1.00 0.00 C ATOM 47 C SER A 4 -0.140 -3.292 16.496 1.00 0.00 C ATOM 48 O SER A 4 -0.931 -2.559 15.895 1.00 0.00 O ATOM 49 CB SER A 4 0.589 -2.008 18.542 1.00 0.00 C ATOM 50 OG SER A 4 1.980 -2.028 18.255 1.00 0.00 O ATOM 0 H SER A 4 1.472 -4.231 19.070 1.00 0.00 H new ATOM 0 HA SER A 4 -1.129 -3.328 18.358 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.129 -1.137 18.074 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.436 -1.911 19.617 1.00 0.00 H new ATOM 0 HG SER A 4 2.394 -1.203 18.584 1.00 0.00 H new ATOM 56 N SER A 5 0.640 -4.160 15.843 1.00 0.00 N ATOM 57 CA SER A 5 0.614 -4.427 14.394 1.00 0.00 C ATOM 58 C SER A 5 -0.551 -5.336 13.989 1.00 0.00 C ATOM 59 O SER A 5 -0.375 -6.371 13.343 1.00 0.00 O ATOM 60 CB SER A 5 1.974 -4.961 13.923 1.00 0.00 C ATOM 61 OG SER A 5 2.993 -4.009 14.188 1.00 0.00 O ATOM 0 H SER A 5 1.339 -4.722 16.328 1.00 0.00 H new ATOM 0 HA SER A 5 0.436 -3.482 13.881 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.201 -5.898 14.431 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.938 -5.178 12.855 1.00 0.00 H new ATOM 0 HG SER A 5 3.856 -4.361 13.885 1.00 0.00 H new ATOM 67 N ASP A 6 -1.765 -4.957 14.396 1.00 0.00 N ATOM 68 CA ASP A 6 -2.955 -5.815 14.354 1.00 0.00 C ATOM 69 C ASP A 6 -3.748 -5.760 13.029 1.00 0.00 C ATOM 70 O ASP A 6 -4.680 -6.538 12.811 1.00 0.00 O ATOM 71 CB ASP A 6 -3.829 -5.496 15.577 1.00 0.00 C ATOM 72 CG ASP A 6 -4.943 -6.533 15.816 1.00 0.00 C ATOM 73 OD1 ASP A 6 -4.628 -7.739 15.970 1.00 0.00 O ATOM 74 OD2 ASP A 6 -6.131 -6.138 15.903 1.00 0.00 O ATOM 0 H ASP A 6 -1.953 -4.028 14.771 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.616 -6.850 14.395 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.196 -5.442 16.463 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.280 -4.512 15.446 1.00 0.00 H new ATOM 79 N LYS A 7 -3.343 -4.867 12.122 1.00 0.00 N ATOM 80 CA LYS A 7 -3.835 -4.721 10.752 1.00 0.00 C ATOM 81 C LYS A 7 -3.250 -5.783 9.822 1.00 0.00 C ATOM 82 O LYS A 7 -2.360 -6.548 10.201 1.00 0.00 O ATOM 83 CB LYS A 7 -3.580 -3.285 10.255 1.00 0.00 C ATOM 84 CG LYS A 7 -2.134 -2.816 10.470 1.00 0.00 C ATOM 85 CD LYS A 7 -2.028 -1.872 11.673 1.00 0.00 C ATOM 86 CE LYS A 7 -0.561 -1.511 11.933 1.00 0.00 C ATOM 87 NZ LYS A 7 -0.446 -0.377 12.884 1.00 0.00 N ATOM 0 H LYS A 7 -2.617 -4.184 12.340 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.912 -4.888 10.746 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.819 -3.228 9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.256 -2.604 10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.488 -3.680 10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.777 -2.308 9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.606 -0.967 11.486 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.456 -2.347 12.556 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.036 -2.379 12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.076 -1.250 10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.538 -0.296 13.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.726 0.505 12.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.069 -0.544 13.700 1.00 0.00 H new ATOM 101 N LEU A 8 -3.733 -5.788 8.587 1.00 0.00 N ATOM 102 CA LEU A 8 -3.208 -6.558 7.461 1.00 0.00 C ATOM 103 C LEU A 8 -2.464 -5.690 6.453 1.00 0.00 C ATOM 104 O LEU A 8 -1.649 -6.224 5.705 1.00 0.00 O ATOM 105 CB LEU A 8 -4.395 -7.196 6.727 1.00 0.00 C ATOM 106 CG LEU A 8 -5.272 -8.146 7.550 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.489 -8.497 6.699 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.508 -9.413 7.928 1.00 0.00 C ATOM 0 H LEU A 8 -4.544 -5.227 8.327 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.511 -7.294 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.027 -6.397 6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.011 -7.744 5.867 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.574 -7.663 8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.138 -9.174 7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.037 -7.587 6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.162 -8.981 5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.155 -10.068 8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.190 -9.930 7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.633 -9.147 8.520 1.00 0.00 H new ATOM 120 N TYR A 9 -2.746 -4.387 6.394 1.00 0.00 N ATOM 121 CA TYR A 9 -2.408 -3.561 5.238 1.00 0.00 C ATOM 122 C TYR A 9 -1.840 -2.208 5.678 1.00 0.00 C ATOM 123 O TYR A 9 -2.106 -1.725 6.780 1.00 0.00 O ATOM 124 CB TYR A 9 -3.654 -3.410 4.338 1.00 0.00 C ATOM 125 CG TYR A 9 -4.351 -4.696 3.913 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.614 -5.741 3.332 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.739 -4.850 4.093 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.239 -6.950 2.973 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.374 -6.061 3.752 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.621 -7.118 3.198 1.00 0.00 C ATOM 131 OH TYR A 9 -6.228 -8.295 2.880 1.00 0.00 O ATOM 0 H TYR A 9 -3.213 -3.878 7.144 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.625 -4.048 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.379 -2.787 4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.360 -2.869 3.439 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.555 -5.615 3.159 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.321 -4.034 4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.662 -7.746 2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.435 -6.180 3.914 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.930 -8.994 3.499 1.00 0.00 H new ATOM 141 N ARG A 10 -1.045 -1.589 4.807 1.00 0.00 N ATOM 142 CA ARG A 10 -0.356 -0.309 5.025 1.00 0.00 C ATOM 143 C ARG A 10 -0.335 0.486 3.719 1.00 0.00 C ATOM 144 O ARG A 10 -0.191 -0.109 2.657 1.00 0.00 O ATOM 145 CB ARG A 10 1.062 -0.604 5.565 1.00 0.00 C ATOM 146 CG ARG A 10 2.112 0.529 5.539 1.00 0.00 C ATOM 147 CD ARG A 10 1.744 1.711 6.452 1.00 0.00 C ATOM 148 NE ARG A 10 2.832 2.703 6.580 1.00 0.00 N ATOM 149 CZ ARG A 10 3.063 3.501 7.610 1.00 0.00 C ATOM 150 NH1 ARG A 10 2.351 3.511 8.699 1.00 0.00 N ATOM 151 NH2 ARG A 10 4.054 4.338 7.570 1.00 0.00 N ATOM 0 H ARG A 10 -0.852 -1.981 3.885 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.878 0.302 5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.960 -0.938 6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.465 -1.442 4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.078 0.128 5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.225 0.889 4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.855 2.204 6.058 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.487 1.332 7.441 1.00 0.00 H new ATOM 0 HE ARG A 10 3.473 2.781 5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.559 2.876 8.796 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.585 4.154 9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.653 4.380 6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.234 4.954 8.363 1.00 0.00 H new ATOM 165 N VAL A 11 -0.456 1.808 3.790 1.00 0.00 N ATOM 166 CA VAL A 11 -0.243 2.758 2.686 1.00 0.00 C ATOM 167 C VAL A 11 0.465 4.019 3.192 1.00 0.00 C ATOM 168 O VAL A 11 0.219 4.464 4.313 1.00 0.00 O ATOM 169 CB VAL A 11 -1.586 3.078 2.001 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.470 4.047 2.792 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.388 3.704 0.614 1.00 0.00 C ATOM 0 H VAL A 11 -0.718 2.276 4.658 1.00 0.00 H new ATOM 0 HA VAL A 11 0.408 2.305 1.939 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.079 2.108 1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.397 4.223 2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.700 3.617 3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.944 4.992 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.360 3.913 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.825 4.633 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.838 3.011 -0.023 1.00 0.00 H new ATOM 181 N GLU A 12 1.348 4.609 2.389 1.00 0.00 N ATOM 182 CA GLU A 12 2.000 5.883 2.712 1.00 0.00 C ATOM 183 C GLU A 12 2.465 6.667 1.483 1.00 0.00 C ATOM 184 O GLU A 12 2.802 6.103 0.437 1.00 0.00 O ATOM 185 CB GLU A 12 3.193 5.669 3.671 1.00 0.00 C ATOM 186 CG GLU A 12 4.375 4.902 3.048 1.00 0.00 C ATOM 187 CD GLU A 12 5.568 4.781 4.009 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.359 4.412 5.187 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.719 5.016 3.569 1.00 0.00 O ATOM 0 H GLU A 12 1.635 4.218 1.492 1.00 0.00 H new ATOM 0 HA GLU A 12 1.233 6.484 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.546 6.641 4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.845 5.126 4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.044 3.905 2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.695 5.410 2.138 1.00 0.00 H new ATOM 196 N TYR A 13 2.584 7.981 1.673 1.00 0.00 N ATOM 197 CA TYR A 13 3.525 8.802 0.920 1.00 0.00 C ATOM 198 C TYR A 13 4.951 8.423 1.344 1.00 0.00 C ATOM 199 O TYR A 13 5.318 8.539 2.515 1.00 0.00 O ATOM 200 CB TYR A 13 3.229 10.287 1.177 1.00 0.00 C ATOM 201 CG TYR A 13 1.868 10.812 0.737 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.065 10.120 -0.196 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.432 12.054 1.239 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.123 10.701 -0.680 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.227 12.623 0.782 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.534 11.964 -0.203 1.00 0.00 C ATOM 207 OH TYR A 13 -1.656 12.553 -0.689 1.00 0.00 O ATOM 0 H TYR A 13 2.031 8.503 2.353 1.00 0.00 H new ATOM 0 HA TYR A 13 3.424 8.627 -0.151 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.333 10.472 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.997 10.876 0.675 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.363 9.141 -0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.025 12.573 1.978 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.719 10.181 -1.415 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.113 13.565 1.187 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.930 12.103 -1.516 1.00 0.00 H new ATOM 217 N ALA A 14 5.740 7.929 0.394 1.00 0.00 N ATOM 218 CA ALA A 14 7.049 7.337 0.627 1.00 0.00 C ATOM 219 C ALA A 14 8.064 8.379 1.128 1.00 0.00 C ATOM 220 O ALA A 14 8.393 9.336 0.421 1.00 0.00 O ATOM 221 CB ALA A 14 7.497 6.668 -0.676 1.00 0.00 C ATOM 0 H ALA A 14 5.475 7.931 -0.591 1.00 0.00 H new ATOM 0 HA ALA A 14 6.988 6.590 1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.478 6.214 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.778 5.898 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.555 7.415 -1.467 1.00 0.00 H new ATOM 227 N LYS A 15 8.580 8.176 2.344 1.00 0.00 N ATOM 228 CA LYS A 15 9.537 9.082 3.009 1.00 0.00 C ATOM 229 C LYS A 15 10.994 8.843 2.592 1.00 0.00 C ATOM 230 O LYS A 15 11.821 9.748 2.688 1.00 0.00 O ATOM 231 CB LYS A 15 9.370 8.981 4.539 1.00 0.00 C ATOM 232 CG LYS A 15 7.932 9.174 5.059 1.00 0.00 C ATOM 233 CD LYS A 15 7.285 10.503 4.625 1.00 0.00 C ATOM 234 CE LYS A 15 5.844 10.647 5.134 1.00 0.00 C ATOM 235 NZ LYS A 15 5.774 10.840 6.608 1.00 0.00 N ATOM 0 H LYS A 15 8.343 7.361 2.910 1.00 0.00 H new ATOM 0 HA LYS A 15 9.303 10.095 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.728 8.004 4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.012 9.727 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.314 8.348 4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.940 9.123 6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.884 11.334 4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.291 10.569 3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.370 11.494 4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.275 9.758 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.780 10.932 6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.201 10.021 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.292 11.703 6.870 1.00 0.00 H new ATOM 249 N SER A 16 11.305 7.626 2.146 1.00 0.00 N ATOM 250 CA SER A 16 12.664 7.111 1.909 1.00 0.00 C ATOM 251 C SER A 16 12.760 6.241 0.655 1.00 0.00 C ATOM 252 O SER A 16 11.766 5.674 0.205 1.00 0.00 O ATOM 253 CB SER A 16 13.073 6.266 3.125 1.00 0.00 C ATOM 254 OG SER A 16 12.174 5.169 3.261 1.00 0.00 O ATOM 0 H SER A 16 10.586 6.936 1.928 1.00 0.00 H new ATOM 0 HA SER A 16 13.324 7.966 1.762 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.093 5.902 3.003 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.059 6.877 4.028 1.00 0.00 H new ATOM 0 HG SER A 16 12.434 4.627 4.035 1.00 0.00 H new ATOM 260 N GLY A 17 13.972 6.055 0.127 1.00 0.00 N ATOM 261 CA GLY A 17 14.278 5.035 -0.888 1.00 0.00 C ATOM 262 C GLY A 17 14.473 3.617 -0.318 1.00 0.00 C ATOM 263 O GLY A 17 14.978 2.743 -1.023 1.00 0.00 O ATOM 0 H GLY A 17 14.782 6.615 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.470 5.013 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.183 5.328 -1.421 1.00 0.00 H new ATOM 267 N ARG A 18 14.161 3.398 0.970 1.00 0.00 N ATOM 268 CA ARG A 18 14.651 2.263 1.777 1.00 0.00 C ATOM 269 C ARG A 18 13.874 0.955 1.570 1.00 0.00 C ATOM 270 O ARG A 18 14.459 -0.122 1.686 1.00 0.00 O ATOM 271 CB ARG A 18 14.639 2.699 3.258 1.00 0.00 C ATOM 272 CG ARG A 18 15.423 1.793 4.223 1.00 0.00 C ATOM 273 CD ARG A 18 16.937 1.784 3.972 1.00 0.00 C ATOM 274 NE ARG A 18 17.562 3.093 4.259 1.00 0.00 N ATOM 275 CZ ARG A 18 18.820 3.431 4.034 1.00 0.00 C ATOM 276 NH1 ARG A 18 19.679 2.604 3.509 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.246 4.624 4.338 1.00 0.00 N ATOM 0 H ARG A 18 13.546 4.020 1.494 1.00 0.00 H new ATOM 0 HA ARG A 18 15.662 2.025 1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 18 15.045 3.708 3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.604 2.749 3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.236 2.119 5.246 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.044 0.774 4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.401 1.018 4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.129 1.512 2.934 1.00 0.00 H new ATOM 0 HE ARG A 18 16.962 3.807 4.672 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.389 1.659 3.257 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.642 2.901 3.350 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.608 5.303 4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.218 4.879 4.162 1.00 0.00 H new ATOM 291 N ALA A 19 12.576 1.039 1.277 1.00 0.00 N ATOM 292 CA ALA A 19 11.711 -0.120 1.069 1.00 0.00 C ATOM 293 C ALA A 19 11.958 -0.786 -0.299 1.00 0.00 C ATOM 294 O ALA A 19 12.275 -0.112 -1.282 1.00 0.00 O ATOM 295 CB ALA A 19 10.250 0.313 1.237 1.00 0.00 C ATOM 0 H ALA A 19 12.089 1.930 1.176 1.00 0.00 H new ATOM 0 HA ALA A 19 11.947 -0.877 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.596 -0.545 1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.101 0.708 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.013 1.085 0.505 1.00 0.00 H new ATOM 301 N SER A 20 11.755 -2.103 -0.372 1.00 0.00 N ATOM 302 CA SER A 20 11.941 -2.904 -1.592 1.00 0.00 C ATOM 303 C SER A 20 10.659 -3.623 -1.993 1.00 0.00 C ATOM 304 O SER A 20 9.972 -4.198 -1.147 1.00 0.00 O ATOM 305 CB SER A 20 13.107 -3.885 -1.455 1.00 0.00 C ATOM 306 OG SER A 20 14.332 -3.169 -1.412 1.00 0.00 O ATOM 0 H SER A 20 11.451 -2.657 0.429 1.00 0.00 H new ATOM 0 HA SER A 20 12.192 -2.209 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.990 -4.480 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.110 -4.580 -2.294 1.00 0.00 H new ATOM 0 HG SER A 20 15.077 -3.800 -1.323 1.00 0.00 H new ATOM 312 N CYS A 21 10.345 -3.575 -3.288 1.00 0.00 N ATOM 313 CA CYS A 21 9.103 -4.088 -3.852 1.00 0.00 C ATOM 314 C CYS A 21 9.135 -5.617 -3.981 1.00 0.00 C ATOM 315 O CYS A 21 9.959 -6.189 -4.702 1.00 0.00 O ATOM 316 CB CYS A 21 8.878 -3.386 -5.190 1.00 0.00 C ATOM 317 SG CYS A 21 7.241 -3.792 -5.893 1.00 0.00 S ATOM 0 H CYS A 21 10.965 -3.168 -3.988 1.00 0.00 H new ATOM 0 HA CYS A 21 8.264 -3.874 -3.190 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.959 -2.308 -5.054 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.659 -3.679 -5.892 1.00 0.00 H new ATOM 322 N LYS A 22 8.216 -6.292 -3.287 1.00 0.00 N ATOM 323 CA LYS A 22 8.138 -7.763 -3.227 1.00 0.00 C ATOM 324 C LYS A 22 7.524 -8.399 -4.485 1.00 0.00 C ATOM 325 O LYS A 22 7.532 -9.625 -4.614 1.00 0.00 O ATOM 326 CB LYS A 22 7.357 -8.172 -1.964 1.00 0.00 C ATOM 327 CG LYS A 22 7.917 -7.597 -0.653 1.00 0.00 C ATOM 328 CD LYS A 22 9.264 -8.184 -0.220 1.00 0.00 C ATOM 329 CE LYS A 22 9.157 -9.676 0.128 1.00 0.00 C ATOM 330 NZ LYS A 22 10.452 -10.218 0.617 1.00 0.00 N ATOM 0 H LYS A 22 7.490 -5.829 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 22 9.158 -8.144 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.321 -7.851 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.348 -9.260 -1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.025 -6.518 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.190 -7.766 0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.992 -8.050 -1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.637 -7.636 0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.391 -9.818 0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.838 -10.234 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.343 -11.227 0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.177 -10.104 -0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.744 -9.702 1.472 1.00 0.00 H new ATOM 344 N LYS A 23 6.996 -7.578 -5.402 1.00 0.00 N ATOM 345 CA LYS A 23 6.311 -8.001 -6.641 1.00 0.00 C ATOM 346 C LYS A 23 7.193 -7.868 -7.888 1.00 0.00 C ATOM 347 O LYS A 23 7.321 -8.848 -8.624 1.00 0.00 O ATOM 348 CB LYS A 23 4.980 -7.240 -6.764 1.00 0.00 C ATOM 349 CG LYS A 23 4.164 -7.503 -8.042 1.00 0.00 C ATOM 350 CD LYS A 23 3.801 -8.982 -8.257 1.00 0.00 C ATOM 351 CE LYS A 23 2.817 -9.102 -9.425 1.00 0.00 C ATOM 352 NZ LYS A 23 2.462 -10.518 -9.711 1.00 0.00 N ATOM 0 H LYS A 23 7.033 -6.564 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 23 6.098 -9.068 -6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.360 -7.492 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.189 -6.172 -6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.246 -6.916 -8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.732 -7.150 -8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.700 -9.562 -8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.358 -9.394 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.911 -8.540 -9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.255 -8.651 -10.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.795 -10.554 -10.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.322 -11.049 -9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.021 -10.942 -8.870 1.00 0.00 H new ATOM 366 N CYS A 24 7.808 -6.700 -8.116 1.00 0.00 N ATOM 367 CA CYS A 24 8.665 -6.447 -9.289 1.00 0.00 C ATOM 368 C CYS A 24 10.187 -6.470 -8.996 1.00 0.00 C ATOM 369 O CYS A 24 11.004 -6.359 -9.917 1.00 0.00 O ATOM 370 CB CYS A 24 8.160 -5.217 -10.067 1.00 0.00 C ATOM 371 SG CYS A 24 8.597 -3.619 -9.285 1.00 0.00 S ATOM 0 H CYS A 24 7.727 -5.898 -7.491 1.00 0.00 H new ATOM 0 HA CYS A 24 8.563 -7.301 -9.958 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.572 -5.242 -11.076 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.076 -5.279 -10.164 1.00 0.00 H new ATOM 376 N SER A 25 10.573 -6.697 -7.732 1.00 0.00 N ATOM 377 CA SER A 25 11.959 -6.866 -7.252 1.00 0.00 C ATOM 378 C SER A 25 12.887 -5.655 -7.464 1.00 0.00 C ATOM 379 O SER A 25 14.113 -5.784 -7.418 1.00 0.00 O ATOM 380 CB SER A 25 12.578 -8.179 -7.760 1.00 0.00 C ATOM 381 OG SER A 25 11.760 -9.294 -7.424 1.00 0.00 O ATOM 0 H SER A 25 9.894 -6.772 -6.975 1.00 0.00 H new ATOM 0 HA SER A 25 11.868 -6.930 -6.168 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.706 -8.130 -8.841 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.570 -8.308 -7.328 1.00 0.00 H new ATOM 0 HG SER A 25 12.174 -10.116 -7.759 1.00 0.00 H new ATOM 387 N GLU A 26 12.321 -4.463 -7.667 1.00 0.00 N ATOM 388 CA GLU A 26 13.025 -3.174 -7.608 1.00 0.00 C ATOM 389 C GLU A 26 12.923 -2.578 -6.188 1.00 0.00 C ATOM 390 O GLU A 26 12.293 -3.164 -5.305 1.00 0.00 O ATOM 391 CB GLU A 26 12.455 -2.217 -8.677 1.00 0.00 C ATOM 392 CG GLU A 26 12.582 -2.703 -10.133 1.00 0.00 C ATOM 393 CD GLU A 26 14.020 -2.620 -10.685 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.924 -3.313 -10.159 1.00 0.00 O ATOM 395 OE2 GLU A 26 14.251 -1.877 -11.669 1.00 0.00 O ATOM 0 H GLU A 26 11.329 -4.362 -7.884 1.00 0.00 H new ATOM 0 HA GLU A 26 14.083 -3.323 -7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.401 -2.044 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.961 -1.256 -8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.236 -3.735 -10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.923 -2.108 -10.765 1.00 0.00 H new ATOM 402 N SER A 27 13.514 -1.404 -5.947 1.00 0.00 N ATOM 403 CA SER A 27 13.338 -0.661 -4.688 1.00 0.00 C ATOM 404 C SER A 27 12.487 0.587 -4.894 1.00 0.00 C ATOM 405 O SER A 27 12.475 1.175 -5.976 1.00 0.00 O ATOM 406 CB SER A 27 14.656 -0.362 -3.977 1.00 0.00 C ATOM 407 OG SER A 27 15.407 -1.544 -3.756 1.00 0.00 O ATOM 0 H SER A 27 14.128 -0.939 -6.616 1.00 0.00 H new ATOM 0 HA SER A 27 12.791 -1.318 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.242 0.337 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.454 0.125 -3.023 1.00 0.00 H new ATOM 0 HG SER A 27 15.011 -2.050 -3.016 1.00 0.00 H new ATOM 413 N ILE A 28 11.726 0.972 -3.874 1.00 0.00 N ATOM 414 CA ILE A 28 10.623 1.931 -3.991 1.00 0.00 C ATOM 415 C ILE A 28 11.129 3.356 -3.671 1.00 0.00 C ATOM 416 O ILE A 28 11.683 3.555 -2.587 1.00 0.00 O ATOM 417 CB ILE A 28 9.455 1.500 -3.073 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.003 0.038 -3.324 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.259 2.445 -3.280 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.120 -0.529 -2.206 1.00 0.00 C ATOM 0 H ILE A 28 11.858 0.622 -2.925 1.00 0.00 H new ATOM 0 HA ILE A 28 10.246 1.943 -5.014 1.00 0.00 H new ATOM 0 HB ILE A 28 9.817 1.557 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.457 -0.009 -4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.885 -0.593 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.437 2.139 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.555 3.465 -3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.936 2.401 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.841 -1.555 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.670 -0.515 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.220 0.079 -2.109 1.00 0.00 H new ATOM 432 N PRO A 29 10.960 4.348 -4.568 1.00 0.00 N ATOM 433 CA PRO A 29 11.458 5.714 -4.369 1.00 0.00 C ATOM 434 C PRO A 29 10.648 6.508 -3.329 1.00 0.00 C ATOM 435 O PRO A 29 9.463 6.242 -3.113 1.00 0.00 O ATOM 436 CB PRO A 29 11.369 6.376 -5.749 1.00 0.00 C ATOM 437 CG PRO A 29 10.168 5.677 -6.383 1.00 0.00 C ATOM 438 CD PRO A 29 10.303 4.246 -5.866 1.00 0.00 C ATOM 0 HA PRO A 29 12.473 5.695 -3.973 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.216 7.452 -5.672 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.279 6.224 -6.330 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.226 6.132 -6.076 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.203 5.720 -7.472 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.326 3.771 -5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.890 3.636 -6.553 1.00 0.00 H new ATOM 446 N LYS A 30 11.270 7.543 -2.744 1.00 0.00 N ATOM 447 CA LYS A 30 10.576 8.587 -1.964 1.00 0.00 C ATOM 448 C LYS A 30 9.784 9.554 -2.858 1.00 0.00 C ATOM 449 O LYS A 30 9.967 9.584 -4.075 1.00 0.00 O ATOM 450 CB LYS A 30 11.541 9.311 -1.005 1.00 0.00 C ATOM 451 CG LYS A 30 12.715 10.039 -1.674 1.00 0.00 C ATOM 452 CD LYS A 30 13.693 10.652 -0.656 1.00 0.00 C ATOM 453 CE LYS A 30 13.099 11.735 0.260 1.00 0.00 C ATOM 454 NZ LYS A 30 12.788 12.990 -0.472 1.00 0.00 N ATOM 0 H LYS A 30 12.279 7.683 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 30 9.834 8.087 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.971 10.035 -0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.942 8.581 -0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.254 9.340 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.328 10.827 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.091 9.851 -0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.535 11.081 -1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.190 11.354 0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.802 11.952 1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.618 13.757 0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.590 13.242 -1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.938 12.851 -1.055 1.00 0.00 H new ATOM 468 N ASP A 31 8.895 10.336 -2.243 1.00 0.00 N ATOM 469 CA ASP A 31 7.958 11.262 -2.906 1.00 0.00 C ATOM 470 C ASP A 31 7.015 10.568 -3.919 1.00 0.00 C ATOM 471 O ASP A 31 6.629 11.137 -4.943 1.00 0.00 O ATOM 472 CB ASP A 31 8.691 12.498 -3.465 1.00 0.00 C ATOM 473 CG ASP A 31 9.449 13.263 -2.370 1.00 0.00 C ATOM 474 OD1 ASP A 31 8.815 14.055 -1.633 1.00 0.00 O ATOM 475 OD2 ASP A 31 10.682 13.076 -2.243 1.00 0.00 O ATOM 0 H ASP A 31 8.800 10.346 -1.228 1.00 0.00 H new ATOM 0 HA ASP A 31 7.279 11.633 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.391 12.184 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.969 13.164 -3.939 1.00 0.00 H new ATOM 480 N SER A 32 6.642 9.321 -3.617 1.00 0.00 N ATOM 481 CA SER A 32 5.720 8.463 -4.377 1.00 0.00 C ATOM 482 C SER A 32 4.690 7.815 -3.436 1.00 0.00 C ATOM 483 O SER A 32 4.748 8.026 -2.225 1.00 0.00 O ATOM 484 CB SER A 32 6.533 7.415 -5.148 1.00 0.00 C ATOM 485 OG SER A 32 5.715 6.759 -6.104 1.00 0.00 O ATOM 0 H SER A 32 6.996 8.852 -2.784 1.00 0.00 H new ATOM 0 HA SER A 32 5.160 9.062 -5.096 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.375 7.894 -5.648 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.949 6.685 -4.453 1.00 0.00 H new ATOM 0 HG SER A 32 6.247 6.095 -6.589 1.00 0.00 H new ATOM 491 N LEU A 33 3.746 7.027 -3.955 1.00 0.00 N ATOM 492 CA LEU A 33 2.742 6.301 -3.169 1.00 0.00 C ATOM 493 C LEU A 33 3.106 4.805 -3.114 1.00 0.00 C ATOM 494 O LEU A 33 3.379 4.186 -4.147 1.00 0.00 O ATOM 495 CB LEU A 33 1.353 6.577 -3.780 1.00 0.00 C ATOM 496 CG LEU A 33 0.169 6.000 -2.983 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.061 6.708 -1.648 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.122 6.142 -3.786 1.00 0.00 C ATOM 0 H LEU A 33 3.655 6.871 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 33 2.719 6.644 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.220 7.655 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.328 6.166 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 33 0.423 4.957 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.909 6.253 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.830 6.613 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.268 7.763 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.954 5.731 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.309 7.196 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.027 5.600 -4.727 1.00 0.00 H new ATOM 510 N ARG A 34 3.108 4.215 -1.912 1.00 0.00 N ATOM 511 CA ARG A 34 3.475 2.808 -1.670 1.00 0.00 C ATOM 512 C ARG A 34 2.601 2.155 -0.609 1.00 0.00 C ATOM 513 O ARG A 34 1.990 2.840 0.207 1.00 0.00 O ATOM 514 CB ARG A 34 4.979 2.686 -1.368 1.00 0.00 C ATOM 515 CG ARG A 34 5.466 3.268 -0.030 1.00 0.00 C ATOM 516 CD ARG A 34 6.989 3.077 0.052 1.00 0.00 C ATOM 517 NE ARG A 34 7.597 3.707 1.238 1.00 0.00 N ATOM 518 CZ ARG A 34 8.865 4.032 1.393 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.757 3.811 0.473 1.00 0.00 N ATOM 520 NH2 ARG A 34 9.245 4.624 2.484 1.00 0.00 N ATOM 0 H ARG A 34 2.849 4.711 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 34 3.282 2.248 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.247 1.630 -1.397 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.528 3.176 -2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.211 4.326 0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.975 2.766 0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.214 2.010 0.062 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.448 3.491 -0.846 1.00 0.00 H new ATOM 0 HE ARG A 34 6.973 3.912 2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.485 3.372 -0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.729 4.077 0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.564 4.834 3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.224 4.879 2.611 1.00 0.00 H new ATOM 534 N MET A 35 2.544 0.830 -0.640 1.00 0.00 N ATOM 535 CA MET A 35 1.729 -0.010 0.239 1.00 0.00 C ATOM 536 C MET A 35 2.554 -1.140 0.851 1.00 0.00 C ATOM 537 O MET A 35 3.623 -1.476 0.348 1.00 0.00 O ATOM 538 CB MET A 35 0.508 -0.561 -0.516 1.00 0.00 C ATOM 539 CG MET A 35 -0.523 0.531 -0.803 1.00 0.00 C ATOM 540 SD MET A 35 -2.045 0.001 -1.636 1.00 0.00 S ATOM 541 CE MET A 35 -2.853 -0.894 -0.284 1.00 0.00 C ATOM 0 H MET A 35 3.088 0.283 -1.308 1.00 0.00 H new ATOM 0 HA MET A 35 1.370 0.612 1.059 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.833 -1.009 -1.455 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.044 -1.353 0.072 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.796 1.001 0.142 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.048 1.298 -1.414 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.792 -1.318 -0.639 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.201 -1.696 0.063 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.053 -0.207 0.539 1.00 0.00 H new ATOM 551 N ALA A 36 2.074 -1.716 1.949 1.00 0.00 N ATOM 552 CA ALA A 36 2.702 -2.852 2.619 1.00 0.00 C ATOM 553 C ALA A 36 1.662 -3.845 3.161 1.00 0.00 C ATOM 554 O ALA A 36 0.483 -3.506 3.301 1.00 0.00 O ATOM 555 CB ALA A 36 3.661 -2.347 3.711 1.00 0.00 C ATOM 0 H ALA A 36 1.220 -1.400 2.408 1.00 0.00 H new ATOM 0 HA ALA A 36 3.288 -3.409 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.127 -3.198 4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.432 -1.724 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.104 -1.761 4.442 1.00 0.00 H new ATOM 561 N ILE A 37 2.102 -5.062 3.493 1.00 0.00 N ATOM 562 CA ILE A 37 1.263 -6.115 4.079 1.00 0.00 C ATOM 563 C ILE A 37 1.855 -6.622 5.384 1.00 0.00 C ATOM 564 O ILE A 37 3.060 -6.826 5.479 1.00 0.00 O ATOM 565 CB ILE A 37 1.023 -7.234 3.042 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.394 -7.056 2.477 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.202 -8.665 3.571 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.606 -7.751 1.136 1.00 0.00 C ATOM 0 H ILE A 37 3.071 -5.350 3.360 1.00 0.00 H new ATOM 0 HA ILE A 37 0.287 -5.702 4.336 1.00 0.00 H new ATOM 0 HB ILE A 37 1.792 -7.126 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.115 -7.444 3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.600 -5.992 2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.012 -9.376 2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.221 -8.793 3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.500 -8.842 4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.628 -7.583 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.091 -7.346 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.432 -8.821 1.249 1.00 0.00 H new ATOM 580 N MET A 38 1.004 -6.855 6.378 1.00 0.00 N ATOM 581 CA MET A 38 1.397 -7.327 7.698 1.00 0.00 C ATOM 582 C MET A 38 1.306 -8.854 7.754 1.00 0.00 C ATOM 583 O MET A 38 0.216 -9.411 7.903 1.00 0.00 O ATOM 584 CB MET A 38 0.509 -6.653 8.760 1.00 0.00 C ATOM 585 CG MET A 38 0.425 -5.118 8.705 1.00 0.00 C ATOM 586 SD MET A 38 1.633 -4.215 9.711 1.00 0.00 S ATOM 587 CE MET A 38 3.153 -4.856 8.975 1.00 0.00 C ATOM 0 H MET A 38 -0.002 -6.717 6.284 1.00 0.00 H new ATOM 0 HA MET A 38 2.433 -7.058 7.904 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.500 -7.054 8.667 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.876 -6.940 9.745 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.541 -4.805 7.667 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.575 -4.818 9.018 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.979 -4.181 9.199 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.369 -5.842 9.387 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.030 -4.933 7.895 1.00 0.00 H new ATOM 597 N VAL A 39 2.452 -9.531 7.668 1.00 0.00 N ATOM 598 CA VAL A 39 2.546 -11.002 7.768 1.00 0.00 C ATOM 599 C VAL A 39 3.233 -11.432 9.060 1.00 0.00 C ATOM 600 O VAL A 39 4.211 -10.825 9.493 1.00 0.00 O ATOM 601 CB VAL A 39 3.188 -11.622 6.511 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.620 -11.147 6.261 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.171 -13.155 6.533 1.00 0.00 C ATOM 0 H VAL A 39 3.354 -9.076 7.526 1.00 0.00 H new ATOM 0 HA VAL A 39 1.531 -11.396 7.813 1.00 0.00 H new ATOM 0 HB VAL A 39 2.562 -11.269 5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.009 -11.623 5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.627 -10.065 6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.246 -11.414 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.635 -13.537 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.725 -13.513 7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.141 -13.507 6.589 1.00 0.00 H new ATOM 613 N GLN A 40 2.723 -12.493 9.683 1.00 0.00 N ATOM 614 CA GLN A 40 3.336 -13.141 10.846 1.00 0.00 C ATOM 615 C GLN A 40 4.657 -13.821 10.443 1.00 0.00 C ATOM 616 O GLN A 40 4.683 -14.704 9.582 1.00 0.00 O ATOM 617 CB GLN A 40 2.331 -14.107 11.504 1.00 0.00 C ATOM 618 CG GLN A 40 1.598 -15.051 10.525 1.00 0.00 C ATOM 619 CD GLN A 40 0.646 -16.033 11.215 1.00 0.00 C ATOM 620 OE1 GLN A 40 0.468 -16.060 12.428 1.00 0.00 O ATOM 621 NE2 GLN A 40 -0.016 -16.889 10.463 1.00 0.00 N ATOM 0 H GLN A 40 1.853 -12.937 9.389 1.00 0.00 H new ATOM 0 HA GLN A 40 3.589 -12.393 11.597 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.860 -14.711 12.241 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.588 -13.521 12.046 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.033 -14.452 9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.337 -15.614 9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.115 -16.886 9.451 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.659 -17.554 10.893 1.00 0.00 H new ATOM 630 N SER A 41 5.772 -13.384 11.031 1.00 0.00 N ATOM 631 CA SER A 41 7.113 -13.782 10.596 1.00 0.00 C ATOM 632 C SER A 41 7.528 -15.170 11.097 1.00 0.00 C ATOM 633 O SER A 41 7.349 -15.477 12.280 1.00 0.00 O ATOM 634 CB SER A 41 8.139 -12.746 11.037 1.00 0.00 C ATOM 635 OG SER A 41 9.423 -13.105 10.550 1.00 0.00 O ATOM 0 H SER A 41 5.771 -12.743 11.824 1.00 0.00 H new ATOM 0 HA SER A 41 7.079 -13.837 9.508 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.860 -11.761 10.662 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.158 -12.679 12.125 1.00 0.00 H new ATOM 0 HG SER A 41 10.047 -12.363 10.694 1.00 0.00 H new ATOM 641 N PRO A 42 8.167 -15.990 10.239 1.00 0.00 N ATOM 642 CA PRO A 42 8.857 -17.198 10.676 1.00 0.00 C ATOM 643 C PRO A 42 10.170 -16.935 11.440 1.00 0.00 C ATOM 644 O PRO A 42 10.694 -17.849 12.082 1.00 0.00 O ATOM 645 CB PRO A 42 9.110 -18.022 9.405 1.00 0.00 C ATOM 646 CG PRO A 42 8.134 -17.449 8.380 1.00 0.00 C ATOM 647 CD PRO A 42 8.041 -15.983 8.791 1.00 0.00 C ATOM 0 HA PRO A 42 8.236 -17.727 11.399 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.142 -17.926 9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.928 -19.083 9.577 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.504 -17.561 7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.164 -17.944 8.423 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.832 -15.393 8.329 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.093 -15.545 8.479 1.00 0.00 H new ATOM 655 N MET A 43 10.721 -15.714 11.359 1.00 0.00 N ATOM 656 CA MET A 43 12.035 -15.334 11.912 1.00 0.00 C ATOM 657 C MET A 43 11.958 -14.296 13.046 1.00 0.00 C ATOM 658 O MET A 43 12.856 -14.243 13.891 1.00 0.00 O ATOM 659 CB MET A 43 12.925 -14.807 10.778 1.00 0.00 C ATOM 660 CG MET A 43 13.352 -15.925 9.813 1.00 0.00 C ATOM 661 SD MET A 43 13.495 -15.409 8.083 1.00 0.00 S ATOM 662 CE MET A 43 11.726 -15.274 7.707 1.00 0.00 C ATOM 0 H MET A 43 10.251 -14.938 10.893 1.00 0.00 H new ATOM 0 HA MET A 43 12.462 -16.233 12.358 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.389 -14.036 10.225 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.812 -14.336 11.202 1.00 0.00 H new ATOM 0 HG2 MET A 43 14.312 -16.324 10.141 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.630 -16.739 9.878 1.00 0.00 H new ATOM 0 HE1 MET A 43 11.470 -15.970 6.908 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.145 -15.514 8.598 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.498 -14.257 7.389 1.00 0.00 H new ATOM 672 N PHE A 44 10.897 -13.484 13.084 1.00 0.00 N ATOM 673 CA PHE A 44 10.639 -12.445 14.089 1.00 0.00 C ATOM 674 C PHE A 44 9.413 -12.786 14.958 1.00 0.00 C ATOM 675 O PHE A 44 8.513 -13.519 14.548 1.00 0.00 O ATOM 676 CB PHE A 44 10.519 -11.082 13.386 1.00 0.00 C ATOM 677 CG PHE A 44 10.199 -9.920 14.308 1.00 0.00 C ATOM 678 CD1 PHE A 44 11.199 -9.385 15.143 1.00 0.00 C ATOM 679 CD2 PHE A 44 8.891 -9.399 14.363 1.00 0.00 C ATOM 680 CE1 PHE A 44 10.891 -8.336 16.029 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.583 -8.352 15.249 1.00 0.00 C ATOM 682 CZ PHE A 44 9.584 -7.821 16.083 1.00 0.00 C ATOM 0 H PHE A 44 10.159 -13.535 12.382 1.00 0.00 H new ATOM 0 HA PHE A 44 11.478 -12.394 14.783 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.455 -10.871 12.869 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.742 -11.148 12.624 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.203 -9.780 15.103 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.122 -9.805 13.722 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.659 -7.926 16.668 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.579 -7.956 15.289 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.348 -7.017 16.765 1.00 0.00 H new ATOM 692 N ASP A 45 9.367 -12.242 16.174 1.00 0.00 N ATOM 693 CA ASP A 45 8.374 -12.557 17.214 1.00 0.00 C ATOM 694 C ASP A 45 7.084 -11.710 17.093 1.00 0.00 C ATOM 695 O ASP A 45 6.560 -11.194 18.086 1.00 0.00 O ATOM 696 CB ASP A 45 9.039 -12.463 18.599 1.00 0.00 C ATOM 697 CG ASP A 45 10.183 -13.476 18.765 1.00 0.00 C ATOM 698 OD1 ASP A 45 9.900 -14.685 18.951 1.00 0.00 O ATOM 699 OD2 ASP A 45 11.370 -13.068 18.729 1.00 0.00 O ATOM 0 H ASP A 45 10.044 -11.542 16.478 1.00 0.00 H new ATOM 0 HA ASP A 45 8.033 -13.582 17.070 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.425 -11.454 18.747 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.290 -12.634 19.372 1.00 0.00 H new ATOM 704 N GLY A 46 6.578 -11.527 15.868 1.00 0.00 N ATOM 705 CA GLY A 46 5.458 -10.641 15.561 1.00 0.00 C ATOM 706 C GLY A 46 5.194 -10.498 14.061 1.00 0.00 C ATOM 707 O GLY A 46 5.615 -11.327 13.245 1.00 0.00 O ATOM 0 H GLY A 46 6.947 -12.004 15.046 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.559 -11.021 16.047 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.656 -9.656 15.984 1.00 0.00 H new ATOM 711 N LYS A 47 4.480 -9.431 13.701 1.00 0.00 N ATOM 712 CA LYS A 47 4.031 -9.108 12.342 1.00 0.00 C ATOM 713 C LYS A 47 5.010 -8.130 11.682 1.00 0.00 C ATOM 714 O LYS A 47 5.425 -7.153 12.308 1.00 0.00 O ATOM 715 CB LYS A 47 2.608 -8.528 12.415 1.00 0.00 C ATOM 716 CG LYS A 47 1.564 -9.479 13.048 1.00 0.00 C ATOM 717 CD LYS A 47 0.719 -10.285 12.049 1.00 0.00 C ATOM 718 CE LYS A 47 -0.122 -9.437 11.081 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.132 -8.589 11.769 1.00 0.00 N ATOM 0 H LYS A 47 4.183 -8.732 14.382 1.00 0.00 H new ATOM 0 HA LYS A 47 4.009 -10.008 11.727 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.635 -7.602 12.990 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.282 -8.268 11.408 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.084 -10.177 13.705 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.893 -8.891 13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.383 -10.924 11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.052 -10.942 12.607 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.541 -8.799 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.630 -10.097 10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.631 -8.005 11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.816 -9.196 12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.656 -7.972 12.458 1.00 0.00 H new ATOM 733 N VAL A 48 5.366 -8.377 10.421 1.00 0.00 N ATOM 734 CA VAL A 48 6.371 -7.605 9.663 1.00 0.00 C ATOM 735 C VAL A 48 5.821 -7.096 8.318 1.00 0.00 C ATOM 736 O VAL A 48 4.970 -7.771 7.731 1.00 0.00 O ATOM 737 CB VAL A 48 7.674 -8.407 9.456 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.328 -8.768 10.799 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.486 -9.696 8.644 1.00 0.00 C ATOM 0 H VAL A 48 4.957 -9.137 9.878 1.00 0.00 H new ATOM 0 HA VAL A 48 6.609 -6.731 10.270 1.00 0.00 H new ATOM 0 HB VAL A 48 8.321 -7.743 8.883 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.243 -9.332 10.618 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.567 -7.855 11.345 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.639 -9.373 11.388 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.445 -10.204 8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.782 -10.350 9.158 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.098 -9.450 7.656 1.00 0.00 H new ATOM 749 N PRO A 49 6.266 -5.922 7.817 1.00 0.00 N ATOM 750 CA PRO A 49 5.734 -5.320 6.593 1.00 0.00 C ATOM 751 C PRO A 49 6.393 -5.851 5.308 1.00 0.00 C ATOM 752 O PRO A 49 7.617 -5.838 5.166 1.00 0.00 O ATOM 753 CB PRO A 49 5.956 -3.812 6.753 1.00 0.00 C ATOM 754 CG PRO A 49 7.233 -3.739 7.590 1.00 0.00 C ATOM 755 CD PRO A 49 7.133 -4.965 8.499 1.00 0.00 C ATOM 0 HA PRO A 49 4.681 -5.576 6.475 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.076 -3.317 5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.116 -3.332 7.255 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.125 -3.774 6.965 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.283 -2.815 8.166 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.118 -5.395 8.679 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.721 -4.694 9.471 1.00 0.00 H new ATOM 763 N HIS A 50 5.575 -6.264 4.335 1.00 0.00 N ATOM 764 CA HIS A 50 5.985 -6.586 2.961 1.00 0.00 C ATOM 765 C HIS A 50 5.586 -5.444 2.038 1.00 0.00 C ATOM 766 O HIS A 50 4.412 -5.331 1.707 1.00 0.00 O ATOM 767 CB HIS A 50 5.347 -7.920 2.525 1.00 0.00 C ATOM 768 CG HIS A 50 6.073 -9.141 3.033 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.210 -10.350 2.348 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.693 -9.249 4.243 1.00 0.00 C ATOM 771 CE1 HIS A 50 6.902 -11.161 3.168 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.227 -10.517 4.302 1.00 0.00 N ATOM 0 H HIS A 50 4.574 -6.388 4.486 1.00 0.00 H new ATOM 0 HA HIS A 50 7.067 -6.704 2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.316 -7.950 2.877 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.313 -7.956 1.436 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.753 -8.488 5.007 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.160 -12.186 2.946 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.774 -10.901 5.073 1.00 0.00 H new ATOM 780 N TRP A 51 6.532 -4.575 1.674 1.00 0.00 N ATOM 781 CA TRP A 51 6.280 -3.375 0.871 1.00 0.00 C ATOM 782 C TRP A 51 6.146 -3.680 -0.628 1.00 0.00 C ATOM 783 O TRP A 51 6.806 -4.563 -1.170 1.00 0.00 O ATOM 784 CB TRP A 51 7.395 -2.347 1.085 1.00 0.00 C ATOM 785 CG TRP A 51 7.542 -1.842 2.484 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.402 -2.330 3.406 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.814 -0.756 3.143 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.257 -1.635 4.589 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.277 -0.671 4.492 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.799 0.151 2.751 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.755 0.246 5.411 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.247 1.059 3.681 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.730 1.111 5.001 1.00 0.00 C ATOM 0 H TRP A 51 7.512 -4.687 1.933 1.00 0.00 H new ATOM 0 HA TRP A 51 5.327 -2.969 1.210 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.341 -2.793 0.776 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.213 -1.497 0.427 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.097 -3.140 3.242 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.806 -1.812 5.430 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.444 0.148 1.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.136 0.287 6.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.448 1.719 3.376 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.310 1.819 5.701 1.00 0.00 H new ATOM 804 N TYR A 52 5.344 -2.889 -1.328 1.00 0.00 N ATOM 805 CA TYR A 52 5.263 -2.880 -2.783 1.00 0.00 C ATOM 806 C TYR A 52 4.898 -1.466 -3.279 1.00 0.00 C ATOM 807 O TYR A 52 4.339 -0.658 -2.527 1.00 0.00 O ATOM 808 CB TYR A 52 4.284 -3.953 -3.320 1.00 0.00 C ATOM 809 CG TYR A 52 3.897 -5.174 -2.483 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.145 -5.055 -1.293 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.199 -6.459 -2.975 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.714 -6.210 -0.601 1.00 0.00 C ATOM 813 CE2 TYR A 52 3.770 -7.611 -2.289 1.00 0.00 C ATOM 814 CZ TYR A 52 3.030 -7.492 -1.098 1.00 0.00 C ATOM 815 OH TYR A 52 2.627 -8.616 -0.444 1.00 0.00 O ATOM 0 H TYR A 52 4.715 -2.218 -0.888 1.00 0.00 H new ATOM 0 HA TYR A 52 6.243 -3.142 -3.181 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.358 -3.437 -3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.706 -4.329 -4.252 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.898 -4.076 -0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.766 -6.561 -3.889 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.142 -6.111 0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.010 -8.590 -2.678 1.00 0.00 H new ATOM 0 HH TYR A 52 2.935 -9.407 -0.933 1.00 0.00 H new ATOM 825 N HIS A 53 5.186 -1.150 -4.549 1.00 0.00 N ATOM 826 CA HIS A 53 4.629 0.054 -5.203 1.00 0.00 C ATOM 827 C HIS A 53 3.088 0.050 -5.113 1.00 0.00 C ATOM 828 O HIS A 53 2.479 -1.021 -5.039 1.00 0.00 O ATOM 829 CB HIS A 53 5.044 0.142 -6.686 1.00 0.00 C ATOM 830 CG HIS A 53 6.523 0.258 -6.981 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.367 -0.726 -7.510 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.235 1.421 -6.884 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.560 -0.141 -7.702 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.509 1.150 -7.334 1.00 0.00 N ATOM 0 H HIS A 53 5.798 -1.705 -5.146 1.00 0.00 H new ATOM 0 HA HIS A 53 5.031 0.920 -4.677 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.666 -0.744 -7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.542 1.003 -7.127 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.869 2.371 -6.523 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.435 -0.637 -8.096 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.281 1.815 -7.380 1.00 0.00 H new ATOM 842 N PHE A 54 2.439 1.222 -5.157 1.00 0.00 N ATOM 843 CA PHE A 54 0.972 1.302 -5.045 1.00 0.00 C ATOM 844 C PHE A 54 0.244 0.413 -6.072 1.00 0.00 C ATOM 845 O PHE A 54 -0.703 -0.278 -5.709 1.00 0.00 O ATOM 846 CB PHE A 54 0.488 2.753 -5.180 1.00 0.00 C ATOM 847 CG PHE A 54 -1.027 2.864 -5.293 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.846 2.563 -4.186 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.624 3.179 -6.531 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.244 2.538 -4.325 1.00 0.00 C ATOM 851 CE2 PHE A 54 -3.025 3.173 -6.660 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.833 2.837 -5.562 1.00 0.00 C ATOM 0 H PHE A 54 2.902 2.124 -5.269 1.00 0.00 H new ATOM 0 HA PHE A 54 0.723 0.927 -4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.826 3.325 -4.316 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.947 3.203 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.397 2.351 -3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.005 3.425 -7.381 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.866 2.288 -3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.480 3.427 -7.606 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.907 2.809 -5.670 1.00 0.00 H new ATOM 862 N SER A 55 0.693 0.380 -7.332 1.00 0.00 N ATOM 863 CA SER A 55 0.079 -0.436 -8.387 1.00 0.00 C ATOM 864 C SER A 55 0.440 -1.916 -8.240 1.00 0.00 C ATOM 865 O SER A 55 -0.438 -2.774 -8.358 1.00 0.00 O ATOM 866 CB SER A 55 0.480 0.102 -9.765 1.00 0.00 C ATOM 867 OG SER A 55 1.892 0.202 -9.872 1.00 0.00 O ATOM 0 H SER A 55 1.497 0.921 -7.651 1.00 0.00 H new ATOM 0 HA SER A 55 -1.004 -0.365 -8.287 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.097 -0.557 -10.544 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.028 1.081 -9.925 1.00 0.00 H new ATOM 0 HG SER A 55 2.129 0.545 -10.759 1.00 0.00 H new ATOM 873 N CYS A 56 1.699 -2.216 -7.899 1.00 0.00 N ATOM 874 CA CYS A 56 2.200 -3.565 -7.660 1.00 0.00 C ATOM 875 C CYS A 56 1.388 -4.331 -6.598 1.00 0.00 C ATOM 876 O CYS A 56 1.126 -5.520 -6.772 1.00 0.00 O ATOM 877 CB CYS A 56 3.667 -3.483 -7.232 1.00 0.00 C ATOM 878 SG CYS A 56 4.772 -3.050 -8.629 1.00 0.00 S ATOM 0 H CYS A 56 2.416 -1.500 -7.779 1.00 0.00 H new ATOM 0 HA CYS A 56 2.098 -4.122 -8.592 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.773 -2.738 -6.443 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.975 -4.440 -6.810 1.00 0.00 H new ATOM 883 N PHE A 57 0.942 -3.654 -5.536 1.00 0.00 N ATOM 884 CA PHE A 57 0.092 -4.206 -4.477 1.00 0.00 C ATOM 885 C PHE A 57 -1.133 -4.935 -5.051 1.00 0.00 C ATOM 886 O PHE A 57 -1.394 -6.095 -4.731 1.00 0.00 O ATOM 887 CB PHE A 57 -0.351 -3.070 -3.552 1.00 0.00 C ATOM 888 CG PHE A 57 -1.061 -3.584 -2.320 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.425 -3.929 -2.375 1.00 0.00 C ATOM 890 CD2 PHE A 57 -0.340 -3.773 -1.130 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.060 -4.466 -1.244 1.00 0.00 C ATOM 892 CE2 PHE A 57 -0.983 -4.277 0.011 1.00 0.00 C ATOM 893 CZ PHE A 57 -2.339 -4.639 -0.049 1.00 0.00 C ATOM 0 H PHE A 57 1.171 -2.672 -5.385 1.00 0.00 H new ATOM 0 HA PHE A 57 0.670 -4.941 -3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.520 -2.487 -3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.013 -2.397 -4.097 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.983 -3.780 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.712 -3.530 -1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.102 -4.746 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.435 -4.387 0.935 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.828 -5.050 0.822 1.00 0.00 H new ATOM 903 N TRP A 58 -1.859 -4.276 -5.953 1.00 0.00 N ATOM 904 CA TRP A 58 -3.056 -4.829 -6.590 1.00 0.00 C ATOM 905 C TRP A 58 -2.713 -5.837 -7.698 1.00 0.00 C ATOM 906 O TRP A 58 -3.501 -6.747 -7.960 1.00 0.00 O ATOM 907 CB TRP A 58 -3.925 -3.674 -7.093 1.00 0.00 C ATOM 908 CG TRP A 58 -4.087 -2.553 -6.110 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.435 -1.373 -6.167 1.00 0.00 C ATOM 910 CD2 TRP A 58 -4.882 -2.502 -4.884 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.746 -0.607 -5.062 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.661 -1.240 -4.250 1.00 0.00 C ATOM 913 CE3 TRP A 58 -5.770 -3.393 -4.245 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.318 -0.865 -3.069 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.412 -3.039 -3.044 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.200 -1.774 -2.465 1.00 0.00 C ATOM 0 H TRP A 58 -1.631 -3.332 -6.266 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.622 -5.400 -5.854 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.488 -3.278 -8.010 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.911 -4.061 -7.351 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.768 -1.072 -6.961 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.348 0.313 -4.871 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.960 -4.361 -4.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.148 0.108 -2.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.073 -3.744 -2.562 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.716 -1.503 -1.556 1.00 0.00 H new ATOM 927 N LYS A 59 -1.506 -5.759 -8.280 1.00 0.00 N ATOM 928 CA LYS A 59 -0.957 -6.773 -9.203 1.00 0.00 C ATOM 929 C LYS A 59 -0.594 -8.087 -8.496 1.00 0.00 C ATOM 930 O LYS A 59 -0.491 -9.116 -9.166 1.00 0.00 O ATOM 931 CB LYS A 59 0.243 -6.214 -9.986 1.00 0.00 C ATOM 932 CG LYS A 59 -0.161 -5.080 -10.938 1.00 0.00 C ATOM 933 CD LYS A 59 1.069 -4.459 -11.609 1.00 0.00 C ATOM 934 CE LYS A 59 0.625 -3.320 -12.529 1.00 0.00 C ATOM 935 NZ LYS A 59 1.790 -2.647 -13.161 1.00 0.00 N ATOM 0 H LYS A 59 -0.871 -4.977 -8.122 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.750 -7.012 -9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.993 -5.847 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.707 -7.018 -10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.839 -5.465 -11.700 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.704 -4.313 -10.386 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.758 -4.083 -10.853 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.606 -5.216 -12.182 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.035 -3.712 -13.303 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.049 -2.592 -11.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.455 -1.880 -13.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.406 -2.252 -12.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.325 -3.337 -13.726 1.00 0.00 H new ATOM 949 N VAL A 60 -0.449 -8.101 -7.162 1.00 0.00 N ATOM 950 CA VAL A 60 -0.410 -9.363 -6.377 1.00 0.00 C ATOM 951 C VAL A 60 -1.784 -10.072 -6.363 1.00 0.00 C ATOM 952 O VAL A 60 -1.858 -11.278 -6.121 1.00 0.00 O ATOM 953 CB VAL A 60 0.117 -9.128 -4.942 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.290 -10.424 -4.135 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.492 -8.456 -4.931 1.00 0.00 C ATOM 0 H VAL A 60 -0.356 -7.257 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 60 0.294 -10.028 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.647 -8.494 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.662 -10.185 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.671 -10.931 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.002 -11.076 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.819 -8.313 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.210 -9.087 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.428 -7.489 -5.429 1.00 0.00 H new ATOM 965 N GLY A 61 -2.873 -9.361 -6.686 1.00 0.00 N ATOM 966 CA GLY A 61 -4.240 -9.894 -6.788 1.00 0.00 C ATOM 967 C GLY A 61 -5.134 -9.629 -5.569 1.00 0.00 C ATOM 968 O GLY A 61 -6.210 -10.222 -5.460 1.00 0.00 O ATOM 0 H GLY A 61 -2.825 -8.363 -6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.716 -9.464 -7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.183 -10.970 -6.950 1.00 0.00 H new ATOM 972 N HIS A 62 -4.710 -8.760 -4.643 1.00 0.00 N ATOM 973 CA HIS A 62 -5.486 -8.386 -3.450 1.00 0.00 C ATOM 974 C HIS A 62 -6.719 -7.528 -3.782 1.00 0.00 C ATOM 975 O HIS A 62 -6.716 -6.754 -4.741 1.00 0.00 O ATOM 976 CB HIS A 62 -4.585 -7.659 -2.440 1.00 0.00 C ATOM 977 CG HIS A 62 -3.464 -8.519 -1.913 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.613 -9.685 -1.153 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.137 -8.286 -2.106 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.365 -10.124 -0.909 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.462 -9.309 -1.481 1.00 0.00 N ATOM 0 H HIS A 62 -3.807 -8.290 -4.700 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.858 -9.311 -3.010 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.162 -6.773 -2.913 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -5.193 -7.314 -1.604 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -4.487 -10.113 -0.847 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.699 -7.459 -2.645 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.123 -11.006 -0.335 1.00 0.00 H new ATOM 989 N SER A 63 -7.751 -7.627 -2.940 1.00 0.00 N ATOM 990 CA SER A 63 -8.913 -6.721 -2.892 1.00 0.00 C ATOM 991 C SER A 63 -9.253 -6.423 -1.429 1.00 0.00 C ATOM 992 O SER A 63 -9.319 -7.340 -0.605 1.00 0.00 O ATOM 993 CB SER A 63 -10.136 -7.333 -3.591 1.00 0.00 C ATOM 994 OG SER A 63 -9.907 -7.503 -4.980 1.00 0.00 O ATOM 0 H SER A 63 -7.807 -8.369 -2.243 1.00 0.00 H new ATOM 0 HA SER A 63 -8.654 -5.802 -3.417 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.371 -8.297 -3.139 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.003 -6.690 -3.440 1.00 0.00 H new ATOM 0 HG SER A 63 -10.702 -7.896 -5.397 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.448 -5.148 -1.083 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.575 -4.684 0.308 1.00 0.00 C ATOM 1002 C ILE A 64 -11.017 -4.208 0.543 1.00 0.00 C ATOM 1003 O ILE A 64 -11.513 -3.297 -0.116 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.463 -3.656 0.639 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.079 -4.346 0.564 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.660 -3.018 2.026 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -5.886 -3.439 0.892 1.00 0.00 C ATOM 0 H ILE A 64 -9.524 -4.396 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.409 -5.493 1.020 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.519 -2.855 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.073 -5.192 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.945 -4.750 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.858 -2.305 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.620 -2.502 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.642 -3.795 2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.962 -4.011 0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.858 -2.606 0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.989 -3.055 1.907 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.703 -4.866 1.486 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.163 -4.756 1.698 1.00 0.00 C ATOM 1021 C ARG A 65 -13.581 -3.608 2.628 1.00 0.00 C ATOM 1022 O ARG A 65 -14.722 -3.151 2.571 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.759 -6.113 2.145 1.00 0.00 C ATOM 1024 CG ARG A 65 -12.923 -6.936 3.147 1.00 0.00 C ATOM 1025 CD ARG A 65 -11.959 -7.915 2.448 1.00 0.00 C ATOM 1026 NE ARG A 65 -10.946 -8.422 3.393 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.635 -8.473 3.227 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -9.029 -8.152 2.121 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.861 -8.848 4.202 1.00 0.00 N ATOM 0 H ARG A 65 -11.254 -5.506 2.141 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.588 -4.494 0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.737 -5.926 2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.923 -6.723 1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.351 -6.258 3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.592 -7.495 3.801 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.522 -8.750 2.030 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.466 -7.414 1.615 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.299 -8.776 4.282 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.570 -7.838 1.315 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.013 -8.214 2.060 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.264 -9.106 5.103 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.851 -8.885 4.066 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.652 -3.130 3.455 1.00 0.00 N ATOM 1044 CA HIS A 66 -12.813 -1.986 4.366 1.00 0.00 C ATOM 1045 C HIS A 66 -11.473 -1.258 4.570 1.00 0.00 C ATOM 1046 O HIS A 66 -10.831 -1.399 5.615 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.507 -2.417 5.676 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.017 -3.652 6.409 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.717 -4.258 7.458 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -11.875 -4.369 6.182 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -12.985 -5.319 7.838 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -11.877 -5.412 7.085 1.00 0.00 N ATOM 0 H HIS A 66 -11.722 -3.545 3.515 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.480 -1.253 3.911 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.444 -1.579 6.370 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.563 -2.567 5.452 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.119 -4.160 5.440 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.250 -5.999 8.634 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.159 -6.132 7.167 1.00 0.00 H new ATOM 1060 N PRO A 67 -10.994 -0.503 3.562 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.637 0.041 3.571 1.00 0.00 C ATOM 1062 C PRO A 67 -9.398 1.089 4.660 1.00 0.00 C ATOM 1063 O PRO A 67 -8.302 1.149 5.207 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.403 0.609 2.165 1.00 0.00 C ATOM 1065 CG PRO A 67 -10.815 0.915 1.675 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.648 -0.200 2.296 1.00 0.00 C ATOM 0 HA PRO A 67 -8.923 -0.746 3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.782 1.505 2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.899 -0.110 1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.151 1.899 2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.875 0.904 0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.679 0.118 2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.679 -1.076 1.649 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.419 1.848 5.062 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.314 2.809 6.168 1.00 0.00 C ATOM 1076 C ASP A 68 -10.139 2.116 7.540 1.00 0.00 C ATOM 1077 O ASP A 68 -9.721 2.748 8.513 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.563 3.703 6.131 1.00 0.00 C ATOM 1079 CG ASP A 68 -11.590 4.765 7.246 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -10.785 5.724 7.194 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -12.457 4.669 8.150 1.00 0.00 O ATOM 0 H ASP A 68 -11.343 1.816 4.632 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.417 3.414 6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.615 4.202 5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.451 3.077 6.215 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.427 0.809 7.615 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.313 -0.019 8.823 1.00 0.00 C ATOM 1088 C VAL A 69 -8.980 -0.777 8.851 1.00 0.00 C ATOM 1089 O VAL A 69 -8.360 -0.891 9.908 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.501 -1.000 8.927 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.484 -1.797 10.237 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.847 -0.265 8.848 1.00 0.00 C ATOM 0 H VAL A 69 -10.757 0.281 6.807 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.339 0.645 9.687 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.391 -1.681 8.083 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.339 -2.473 10.263 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.562 -2.375 10.299 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.539 -1.110 11.082 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.661 -0.986 8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.919 0.451 9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.918 0.263 7.897 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.525 -1.282 7.697 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.381 -2.209 7.614 1.00 0.00 C ATOM 1104 C GLU A 70 -6.108 -1.647 6.967 1.00 0.00 C ATOM 1105 O GLU A 70 -5.023 -2.138 7.272 1.00 0.00 O ATOM 1106 CB GLU A 70 -7.812 -3.502 6.904 1.00 0.00 C ATOM 1107 CG GLU A 70 -8.650 -4.431 7.794 1.00 0.00 C ATOM 1108 CD GLU A 70 -7.868 -4.979 9.007 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -6.623 -5.108 8.931 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -8.509 -5.299 10.037 1.00 0.00 O ATOM 0 H GLU A 70 -8.938 -1.061 6.791 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.098 -2.401 8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.387 -3.246 6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.924 -4.037 6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.527 -3.890 8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.013 -5.267 7.196 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.194 -0.622 6.114 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.020 0.087 5.572 1.00 0.00 C ATOM 1119 C VAL A 71 -4.530 1.131 6.577 1.00 0.00 C ATOM 1120 O VAL A 71 -5.049 2.243 6.680 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.288 0.665 4.181 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -3.967 1.175 3.621 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.780 -0.427 3.225 1.00 0.00 C ATOM 0 H VAL A 71 -7.083 -0.255 5.775 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.213 -0.631 5.429 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.039 1.451 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.130 1.593 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.567 1.947 4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.257 0.350 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.964 0.006 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.022 -1.206 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.704 -0.859 3.610 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.484 0.767 7.311 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.717 1.661 8.177 1.00 0.00 C ATOM 1135 C ASP A 72 -2.021 2.769 7.363 1.00 0.00 C ATOM 1136 O ASP A 72 -1.586 2.538 6.238 1.00 0.00 O ATOM 1137 CB ASP A 72 -1.715 0.792 8.944 1.00 0.00 C ATOM 1138 CG ASP A 72 -0.893 1.582 9.962 1.00 0.00 C ATOM 1139 OD1 ASP A 72 0.174 2.105 9.576 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -1.294 1.646 11.148 1.00 0.00 O ATOM 0 H ASP A 72 -3.133 -0.191 7.321 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.373 2.180 8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.253 -0.004 9.459 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.040 0.313 8.234 1.00 0.00 H new ATOM 1145 N GLY A 73 -1.930 3.985 7.904 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.271 5.136 7.263 1.00 0.00 C ATOM 1147 C GLY A 73 -2.132 5.885 6.234 1.00 0.00 C ATOM 1148 O GLY A 73 -1.795 7.004 5.851 1.00 0.00 O ATOM 0 H GLY A 73 -2.319 4.207 8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.964 5.838 8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.363 4.788 6.771 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.297 5.343 5.866 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.319 5.976 5.013 1.00 0.00 C ATOM 1154 C PHE A 74 -4.766 7.356 5.530 1.00 0.00 C ATOM 1155 O PHE A 74 -5.089 8.241 4.740 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.504 4.999 4.979 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.727 5.439 4.200 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.803 5.213 2.812 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.820 6.017 4.877 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -7.967 5.568 2.107 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.979 6.377 4.167 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.045 6.159 2.784 1.00 0.00 C ATOM 0 H PHE A 74 -3.570 4.407 6.167 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.909 6.164 4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.155 4.055 4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.809 4.798 6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.969 4.768 2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.767 6.184 5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.031 5.386 1.044 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.816 6.820 4.686 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.930 6.447 2.236 1.00 0.00 H new ATOM 1172 N SER A 75 -4.718 7.575 6.846 1.00 0.00 N ATOM 1173 CA SER A 75 -5.002 8.864 7.496 1.00 0.00 C ATOM 1174 C SER A 75 -4.015 9.988 7.125 1.00 0.00 C ATOM 1175 O SER A 75 -4.339 11.165 7.295 1.00 0.00 O ATOM 1176 CB SER A 75 -4.986 8.671 9.015 1.00 0.00 C ATOM 1177 OG SER A 75 -5.911 7.664 9.403 1.00 0.00 O ATOM 0 H SER A 75 -4.474 6.841 7.511 1.00 0.00 H new ATOM 0 HA SER A 75 -5.981 9.181 7.137 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.983 8.396 9.341 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.235 9.610 9.509 1.00 0.00 H new ATOM 0 HG SER A 75 -5.885 7.554 10.376 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.825 9.656 6.608 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.795 10.624 6.192 1.00 0.00 C ATOM 1185 C GLU A 76 -1.967 11.097 4.733 1.00 0.00 C ATOM 1186 O GLU A 76 -1.478 12.168 4.363 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.394 10.016 6.381 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.102 9.537 7.812 1.00 0.00 C ATOM 1189 CD GLU A 76 -0.136 10.691 8.833 1.00 0.00 C ATOM 1190 OE1 GLU A 76 0.798 11.530 8.836 1.00 0.00 O ATOM 1191 OE2 GLU A 76 -1.087 10.764 9.648 1.00 0.00 O ATOM 0 H GLU A 76 -2.543 8.687 6.463 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.913 11.502 6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.281 9.174 5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.353 10.758 6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.834 8.781 8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.877 9.059 7.840 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.673 10.315 3.907 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.968 10.624 2.504 1.00 0.00 C ATOM 1200 C LEU A 77 -3.944 11.808 2.395 1.00 0.00 C ATOM 1201 O LEU A 77 -4.823 11.987 3.244 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.570 9.385 1.809 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.592 8.294 1.342 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.584 7.819 2.388 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.404 7.095 0.857 1.00 0.00 C ATOM 0 H LEU A 77 -3.066 9.423 4.207 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.036 10.900 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.284 8.927 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.135 9.726 0.941 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.994 8.749 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.944 7.051 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.972 8.661 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.116 7.406 3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.727 6.309 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.020 6.719 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.045 7.400 0.030 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.835 12.588 1.313 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.836 13.607 0.952 1.00 0.00 C ATOM 1219 C ARG A 78 -6.078 12.989 0.332 1.00 0.00 C ATOM 1220 O ARG A 78 -6.076 11.836 -0.102 1.00 0.00 O ATOM 1221 CB ARG A 78 -4.223 14.706 0.061 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.167 15.545 0.797 1.00 0.00 C ATOM 1223 CD ARG A 78 -3.748 16.210 2.056 1.00 0.00 C ATOM 1224 NE ARG A 78 -2.773 17.118 2.691 1.00 0.00 N ATOM 1225 CZ ARG A 78 -1.799 16.789 3.522 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -1.574 15.558 3.890 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -1.014 17.710 4.007 1.00 0.00 N ATOM 0 H ARG A 78 -3.052 12.533 0.661 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.160 14.088 1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.769 14.245 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.016 15.362 -0.298 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.326 14.910 1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.779 16.312 0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.647 16.768 1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.048 15.442 2.769 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.860 18.108 2.464 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.161 14.804 3.534 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.811 15.350 4.534 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.151 18.686 3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.263 17.454 4.648 1.00 0.00 H new ATOM 1241 N TRP A 79 -7.156 13.772 0.314 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.496 13.273 0.020 1.00 0.00 C ATOM 1243 C TRP A 79 -8.578 12.588 -1.357 1.00 0.00 C ATOM 1244 O TRP A 79 -9.148 11.509 -1.471 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.524 14.404 0.229 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.560 14.602 -0.836 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.823 14.119 -0.821 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.436 15.360 -2.078 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.490 14.533 -1.960 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.679 15.296 -2.776 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -9.392 16.091 -2.683 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.874 15.926 -4.015 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.573 16.721 -3.928 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.811 16.642 -4.594 1.00 0.00 C ATOM 0 H TRP A 79 -7.123 14.774 0.504 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.746 12.478 0.723 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.041 14.219 1.171 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.976 15.339 0.344 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.246 13.505 -0.040 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.461 14.303 -2.171 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.438 16.168 -2.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.828 15.862 -4.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.757 17.269 -4.376 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.944 17.130 -5.548 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.915 13.127 -2.383 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.883 12.553 -3.740 1.00 0.00 C ATOM 1267 C ASP A 80 -7.175 11.184 -3.820 1.00 0.00 C ATOM 1268 O ASP A 80 -7.514 10.352 -4.660 1.00 0.00 O ATOM 1269 CB ASP A 80 -7.225 13.566 -4.685 1.00 0.00 C ATOM 1270 CG ASP A 80 -7.315 13.128 -6.158 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.444 13.066 -6.702 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -6.256 12.879 -6.784 1.00 0.00 O ATOM 0 H ASP A 80 -7.375 13.988 -2.298 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.913 12.359 -4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.706 14.537 -4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.178 13.692 -4.408 1.00 0.00 H new ATOM 1277 N ASP A 81 -6.213 10.928 -2.930 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.494 9.656 -2.829 1.00 0.00 C ATOM 1279 C ASP A 81 -6.278 8.672 -1.964 1.00 0.00 C ATOM 1280 O ASP A 81 -6.368 7.505 -2.325 1.00 0.00 O ATOM 1281 CB ASP A 81 -4.076 9.858 -2.278 1.00 0.00 C ATOM 1282 CG ASP A 81 -3.138 10.491 -3.312 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.945 9.888 -4.396 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.565 11.566 -3.020 1.00 0.00 O ATOM 0 H ASP A 81 -5.905 11.616 -2.243 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.400 9.240 -3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.119 10.492 -1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.670 8.897 -1.962 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.933 9.139 -0.896 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.896 8.345 -0.133 1.00 0.00 C ATOM 1291 C GLN A 82 -9.034 7.837 -1.030 1.00 0.00 C ATOM 1292 O GLN A 82 -9.291 6.636 -1.050 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.446 9.167 1.044 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.412 9.321 2.168 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.924 10.145 3.351 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.886 10.900 3.271 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.293 10.042 4.498 1.00 0.00 N ATOM 0 H GLN A 82 -6.808 10.085 -0.536 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.380 7.471 0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.746 10.153 0.689 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.340 8.684 1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.120 8.332 2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.516 9.793 1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.490 9.419 4.584 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.606 10.585 5.303 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.655 8.698 -1.846 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.702 8.291 -2.796 1.00 0.00 C ATOM 1308 C GLN A 83 -10.215 7.239 -3.803 1.00 0.00 C ATOM 1309 O GLN A 83 -10.973 6.341 -4.160 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.235 9.502 -3.582 1.00 0.00 C ATOM 1311 CG GLN A 83 -12.048 10.492 -2.735 1.00 0.00 C ATOM 1312 CD GLN A 83 -12.802 11.495 -3.607 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -14.024 11.565 -3.610 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -12.118 12.305 -4.390 1.00 0.00 N ATOM 0 H GLN A 83 -9.447 9.696 -1.867 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.495 7.851 -2.191 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.393 10.030 -4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.859 9.144 -4.401 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.757 9.944 -2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.380 11.027 -2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.099 12.263 -4.402 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.608 12.974 -4.984 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.953 7.307 -4.243 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.355 6.435 -5.250 1.00 0.00 C ATOM 1325 C LYS A 84 -7.876 5.130 -4.626 1.00 0.00 C ATOM 1326 O LYS A 84 -8.046 4.090 -5.250 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.261 7.265 -5.946 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.327 6.524 -6.909 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.091 5.929 -6.214 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.192 6.908 -5.441 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.668 8.015 -6.281 1.00 0.00 N ATOM 0 H LYS A 84 -8.296 8.002 -3.889 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.072 6.109 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.747 8.069 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.649 7.733 -5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.881 5.723 -7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.001 7.211 -7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.429 5.159 -5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.482 5.433 -6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.757 7.329 -4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.354 6.359 -5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.274 8.759 -5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.922 7.652 -6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.440 8.411 -6.854 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.370 5.135 -3.389 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.105 3.892 -2.632 1.00 0.00 C ATOM 1347 C VAL A 85 -8.426 3.175 -2.351 1.00 0.00 C ATOM 1348 O VAL A 85 -8.526 1.986 -2.636 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.326 4.158 -1.322 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.227 2.928 -0.397 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.889 4.613 -1.597 1.00 0.00 C ATOM 0 H VAL A 85 -7.132 5.988 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.469 3.252 -3.243 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.904 4.938 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.667 3.192 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.229 2.602 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.715 2.120 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.376 4.789 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.363 3.839 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.904 5.535 -2.179 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.476 3.885 -1.905 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.827 3.314 -1.729 1.00 0.00 C ATOM 1363 C LYS A 86 -11.396 2.766 -3.042 1.00 0.00 C ATOM 1364 O LYS A 86 -11.917 1.651 -3.058 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.788 4.350 -1.117 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.473 4.673 0.355 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.454 5.695 0.954 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.812 5.053 1.259 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.788 6.047 1.779 1.00 0.00 N ATOM 0 H LYS A 86 -9.414 4.872 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.730 2.476 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.742 5.269 -1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.809 3.976 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.507 3.754 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.457 5.062 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.033 6.113 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.589 6.523 0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.208 4.594 0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.681 4.255 1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.694 5.575 1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.421 6.467 2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.932 6.795 1.071 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.239 3.494 -4.157 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.685 3.045 -5.488 1.00 0.00 C ATOM 1385 C LYS A 87 -10.919 1.811 -5.958 1.00 0.00 C ATOM 1386 O LYS A 87 -11.515 0.847 -6.424 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.579 4.196 -6.510 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.242 3.879 -7.862 1.00 0.00 C ATOM 1389 CD LYS A 87 -13.769 3.830 -7.732 1.00 0.00 C ATOM 1390 CE LYS A 87 -14.432 3.287 -9.001 1.00 0.00 C ATOM 1391 NZ LYS A 87 -15.868 2.990 -8.762 1.00 0.00 N ATOM 0 H LYS A 87 -10.798 4.414 -4.163 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.732 2.754 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.040 5.089 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.527 4.428 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.961 4.636 -8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.875 2.923 -8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.041 3.203 -6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.148 4.831 -7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.336 4.015 -9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.918 2.382 -9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.250 2.454 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.966 2.426 -7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.394 3.881 -8.658 1.00 0.00 H new ATOM 1405 N THR A 88 -9.604 1.804 -5.777 1.00 0.00 N ATOM 1406 CA THR A 88 -8.732 0.693 -6.172 1.00 0.00 C ATOM 1407 C THR A 88 -8.954 -0.549 -5.300 1.00 0.00 C ATOM 1408 O THR A 88 -8.878 -1.672 -5.795 1.00 0.00 O ATOM 1409 CB THR A 88 -7.261 1.120 -6.202 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.103 2.283 -6.986 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.426 0.068 -6.904 1.00 0.00 C ATOM 0 H THR A 88 -9.101 2.579 -5.346 1.00 0.00 H new ATOM 0 HA THR A 88 -9.006 0.412 -7.189 1.00 0.00 H new ATOM 0 HB THR A 88 -6.953 1.274 -5.168 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.308 3.073 -6.444 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.382 0.382 -6.919 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.512 -0.879 -6.372 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.782 -0.057 -7.927 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.322 -0.358 -4.032 1.00 0.00 N ATOM 1420 CA ALA A 89 -9.650 -1.408 -3.083 1.00 0.00 C ATOM 1421 C ALA A 89 -10.947 -2.136 -3.463 1.00 0.00 C ATOM 1422 O ALA A 89 -11.001 -3.362 -3.346 1.00 0.00 O ATOM 1423 CB ALA A 89 -9.727 -0.764 -1.697 1.00 0.00 C ATOM 0 H ALA A 89 -9.401 0.575 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.879 -2.179 -3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.972 -1.524 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.765 -0.314 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.499 0.006 -1.696 1.00 0.00 H new ATOM 1429 N GLU A 90 -11.948 -1.414 -3.993 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.148 -2.061 -4.550 1.00 0.00 C ATOM 1431 C GLU A 90 -12.937 -2.627 -5.967 1.00 0.00 C ATOM 1432 O GLU A 90 -13.537 -3.641 -6.329 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.402 -1.167 -4.471 1.00 0.00 C ATOM 1434 CG GLU A 90 -14.364 0.107 -5.327 1.00 0.00 C ATOM 1435 CD GLU A 90 -15.729 0.818 -5.429 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -16.444 0.953 -4.407 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -16.083 1.278 -6.545 1.00 0.00 O ATOM 0 H GLU A 90 -11.952 -0.395 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.331 -2.920 -3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -15.267 -1.758 -4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.556 -0.880 -3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.634 0.798 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.020 -0.148 -6.329 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.066 -1.997 -6.761 1.00 0.00 N ATOM 1445 CA ALA A 91 -11.759 -2.389 -8.137 1.00 0.00 C ATOM 1446 C ALA A 91 -10.830 -3.620 -8.244 1.00 0.00 C ATOM 1447 O ALA A 91 -10.876 -4.343 -9.243 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.150 -1.165 -8.836 1.00 0.00 C ATOM 0 H ALA A 91 -11.541 -1.178 -6.454 1.00 0.00 H new ATOM 0 HA ALA A 91 -12.682 -2.704 -8.624 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.907 -1.419 -9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -11.867 -0.344 -8.823 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.243 -0.862 -8.314 1.00 0.00 H new ATOM 1454 N GLY A 92 -9.981 -3.862 -7.237 1.00 0.00 N ATOM 1455 CA GLY A 92 -8.977 -4.935 -7.226 1.00 0.00 C ATOM 1456 C GLY A 92 -7.815 -4.725 -8.213 1.00 0.00 C ATOM 1457 O GLY A 92 -7.163 -5.692 -8.613 1.00 0.00 O ATOM 0 H GLY A 92 -9.973 -3.302 -6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.571 -5.026 -6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.469 -5.880 -7.458 1.00 0.00 H new ATOM 1461 N GLY A 93 -7.583 -3.482 -8.655 1.00 0.00 N ATOM 1462 CA GLY A 93 -6.619 -3.126 -9.697 1.00 0.00 C ATOM 1463 C GLY A 93 -6.779 -1.677 -10.166 1.00 0.00 C ATOM 1464 O GLY A 93 -7.899 -1.188 -10.325 1.00 0.00 O ATOM 0 H GLY A 93 -8.079 -2.672 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.607 -3.274 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.742 -3.797 -10.547 1.00 0.00 H new ATOM 1468 N VAL A 94 -5.652 -0.995 -10.386 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.577 0.370 -10.947 1.00 0.00 C ATOM 1470 C VAL A 94 -5.222 0.339 -12.440 1.00 0.00 C ATOM 1471 O VAL A 94 -4.428 -0.493 -12.887 1.00 0.00 O ATOM 1472 CB VAL A 94 -4.642 1.276 -10.114 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -3.187 0.789 -10.061 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -4.663 2.725 -10.612 1.00 0.00 C ATOM 0 H VAL A 94 -4.733 -1.384 -10.174 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.567 0.821 -10.879 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.044 1.224 -9.102 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.595 1.477 -9.458 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.152 -0.205 -9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.780 0.749 -11.071 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.993 3.330 -10.001 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.335 2.757 -11.651 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.676 3.120 -10.539 1.00 0.00 H new ATOM 1484 N THR A 95 -5.827 1.236 -13.224 1.00 0.00 N ATOM 1485 CA THR A 95 -5.723 1.275 -14.697 1.00 0.00 C ATOM 1486 C THR A 95 -4.587 2.140 -15.230 1.00 0.00 C ATOM 1487 O THR A 95 -4.080 1.874 -16.323 1.00 0.00 O ATOM 1488 CB THR A 95 -7.048 1.747 -15.313 1.00 0.00 C ATOM 1489 OG1 THR A 95 -7.408 2.999 -14.761 1.00 0.00 O ATOM 1490 CG2 THR A 95 -8.182 0.760 -15.028 1.00 0.00 C ATOM 0 H THR A 95 -6.419 1.977 -12.848 1.00 0.00 H new ATOM 0 HA THR A 95 -5.496 0.251 -14.994 1.00 0.00 H new ATOM 0 HB THR A 95 -6.902 1.821 -16.391 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.253 3.300 -15.156 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.105 1.126 -15.479 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.932 -0.213 -15.451 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.318 0.663 -13.951 1.00 0.00 H new ATOM 1498 N GLY A 96 -4.160 3.149 -14.471 1.00 0.00 N ATOM 1499 CA GLY A 96 -3.025 3.997 -14.824 1.00 0.00 C ATOM 1500 C GLY A 96 -1.675 3.455 -14.336 1.00 0.00 C ATOM 1501 O GLY A 96 -1.610 2.631 -13.419 1.00 0.00 O ATOM 0 H GLY A 96 -4.598 3.402 -13.585 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.991 4.111 -15.908 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.181 4.991 -14.404 1.00 0.00 H new ATOM 1505 N LYS A 97 -0.580 3.938 -14.942 1.00 0.00 N ATOM 1506 CA LYS A 97 0.802 3.518 -14.627 1.00 0.00 C ATOM 1507 C LYS A 97 1.360 4.129 -13.330 1.00 0.00 C ATOM 1508 O LYS A 97 2.280 3.562 -12.739 1.00 0.00 O ATOM 1509 CB LYS A 97 1.728 3.844 -15.814 1.00 0.00 C ATOM 1510 CG LYS A 97 1.382 3.034 -17.075 1.00 0.00 C ATOM 1511 CD LYS A 97 2.371 3.338 -18.210 1.00 0.00 C ATOM 1512 CE LYS A 97 2.018 2.517 -19.454 1.00 0.00 C ATOM 1513 NZ LYS A 97 2.960 2.787 -20.572 1.00 0.00 N ATOM 0 H LYS A 97 -0.626 4.643 -15.677 1.00 0.00 H new ATOM 0 HA LYS A 97 0.767 2.442 -14.458 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.661 4.908 -16.041 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.761 3.643 -15.530 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.403 1.969 -16.845 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.368 3.271 -17.397 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.347 4.401 -18.448 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.387 3.107 -17.889 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.039 1.455 -19.208 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.001 2.751 -19.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.692 2.215 -21.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.922 3.796 -20.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.927 2.540 -20.279 1.00 0.00 H new ATOM 1527 N GLY A 98 0.808 5.260 -12.881 1.00 0.00 N ATOM 1528 CA GLY A 98 1.283 6.006 -11.706 1.00 0.00 C ATOM 1529 C GLY A 98 2.646 6.685 -11.917 1.00 0.00 C ATOM 1530 O GLY A 98 3.076 6.922 -13.050 1.00 0.00 O ATOM 0 H GLY A 98 0.002 5.694 -13.331 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.545 6.765 -11.445 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.353 5.325 -10.858 1.00 0.00 H new ATOM 1534 N GLN A 99 3.323 7.012 -10.813 1.00 0.00 N ATOM 1535 CA GLN A 99 4.671 7.603 -10.810 1.00 0.00 C ATOM 1536 C GLN A 99 5.764 6.583 -11.198 1.00 0.00 C ATOM 1537 O GLN A 99 5.580 5.370 -11.074 1.00 0.00 O ATOM 1538 CB GLN A 99 4.962 8.218 -9.431 1.00 0.00 C ATOM 1539 CG GLN A 99 4.112 9.469 -9.149 1.00 0.00 C ATOM 1540 CD GLN A 99 4.398 10.043 -7.763 1.00 0.00 C ATOM 1541 OE1 GLN A 99 3.586 9.968 -6.850 1.00 0.00 O ATOM 1542 NE2 GLN A 99 5.558 10.629 -7.551 1.00 0.00 N ATOM 0 H GLN A 99 2.945 6.872 -9.876 1.00 0.00 H new ATOM 0 HA GLN A 99 4.693 8.384 -11.570 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.773 7.473 -8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 99 6.018 8.480 -9.370 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.316 10.226 -9.906 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.055 9.216 -9.228 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.241 10.696 -8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.774 11.016 -6.632 1.00 0.00 H new ATOM 1551 N ASP A 100 6.921 7.084 -11.641 1.00 0.00 N ATOM 1552 CA ASP A 100 8.086 6.291 -12.065 1.00 0.00 C ATOM 1553 C ASP A 100 9.382 6.743 -11.360 1.00 0.00 C ATOM 1554 O ASP A 100 9.618 7.940 -11.173 1.00 0.00 O ATOM 1555 CB ASP A 100 8.216 6.368 -13.594 1.00 0.00 C ATOM 1556 CG ASP A 100 9.403 5.542 -14.120 1.00 0.00 C ATOM 1557 OD1 ASP A 100 9.445 4.316 -13.862 1.00 0.00 O ATOM 1558 OD2 ASP A 100 10.295 6.116 -14.789 1.00 0.00 O ATOM 0 H ASP A 100 7.081 8.088 -11.718 1.00 0.00 H new ATOM 0 HA ASP A 100 7.930 5.253 -11.771 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.295 6.010 -14.054 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.339 7.409 -13.894 1.00 0.00 H new ATOM 1563 N GLY A 101 10.220 5.779 -10.971 1.00 0.00 N ATOM 1564 CA GLY A 101 11.489 5.986 -10.262 1.00 0.00 C ATOM 1565 C GLY A 101 11.967 4.724 -9.531 1.00 0.00 C ATOM 1566 O GLY A 101 11.297 3.687 -9.562 1.00 0.00 O ATOM 0 H GLY A 101 10.027 4.793 -11.147 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.252 6.300 -10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.371 6.796 -9.542 1.00 0.00 H new ATOM 1570 N ILE A 102 13.117 4.811 -8.854 1.00 0.00 N ATOM 1571 CA ILE A 102 13.698 3.714 -8.061 1.00 0.00 C ATOM 1572 C ILE A 102 14.323 4.219 -6.748 1.00 0.00 C ATOM 1573 O ILE A 102 14.887 5.314 -6.685 1.00 0.00 O ATOM 1574 CB ILE A 102 14.685 2.888 -8.927 1.00 0.00 C ATOM 1575 CG1 ILE A 102 14.961 1.511 -8.283 1.00 0.00 C ATOM 1576 CG2 ILE A 102 15.986 3.655 -9.230 1.00 0.00 C ATOM 1577 CD1 ILE A 102 15.787 0.563 -9.156 1.00 0.00 C ATOM 0 H ILE A 102 13.683 5.660 -8.839 1.00 0.00 H new ATOM 0 HA ILE A 102 12.894 3.043 -7.759 1.00 0.00 H new ATOM 0 HB ILE A 102 14.206 2.716 -9.891 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.482 1.663 -7.338 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.009 1.035 -8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 102 16.642 3.033 -9.839 1.00 0.00 H new ATOM 0 HG22 ILE A 102 15.750 4.571 -9.771 1.00 0.00 H new ATOM 0 HG23 ILE A 102 16.488 3.904 -8.295 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.935 -0.380 -8.630 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.260 0.378 -10.092 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.756 1.015 -9.369 1.00 0.00 H new ATOM 1589 N GLY A 103 14.201 3.410 -5.695 1.00 0.00 N ATOM 1590 CA GLY A 103 14.854 3.596 -4.396 1.00 0.00 C ATOM 1591 C GLY A 103 16.333 3.180 -4.387 1.00 0.00 C ATOM 1592 O GLY A 103 16.984 3.072 -5.428 1.00 0.00 O ATOM 0 H GLY A 103 13.620 2.572 -5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.778 4.644 -4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.318 3.018 -3.643 1.00 0.00 H new ATOM 1596 N SER A 104 16.865 2.919 -3.194 1.00 0.00 N ATOM 1597 CA SER A 104 18.297 2.720 -2.909 1.00 0.00 C ATOM 1598 C SER A 104 18.817 1.305 -3.241 1.00 0.00 C ATOM 1599 O SER A 104 19.530 0.690 -2.442 1.00 0.00 O ATOM 1600 CB SER A 104 18.589 3.110 -1.450 1.00 0.00 C ATOM 1601 OG SER A 104 18.119 4.423 -1.173 1.00 0.00 O ATOM 0 H SER A 104 16.288 2.835 -2.357 1.00 0.00 H new ATOM 0 HA SER A 104 18.850 3.377 -3.580 1.00 0.00 H new ATOM 0 HB2 SER A 104 18.111 2.399 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 104 19.661 3.056 -1.262 1.00 0.00 H new ATOM 0 HG SER A 104 18.313 4.650 -0.240 1.00 0.00 H new ATOM 1607 N LYS A 105 18.453 0.761 -4.413 1.00 0.00 N ATOM 1608 CA LYS A 105 18.864 -0.580 -4.868 1.00 0.00 C ATOM 1609 C LYS A 105 20.370 -0.642 -5.172 1.00 0.00 C ATOM 1610 O LYS A 105 20.907 0.235 -5.852 1.00 0.00 O ATOM 1611 CB LYS A 105 18.006 -1.016 -6.071 1.00 0.00 C ATOM 1612 CG LYS A 105 18.282 -2.477 -6.471 1.00 0.00 C ATOM 1613 CD LYS A 105 17.208 -3.021 -7.421 1.00 0.00 C ATOM 1614 CE LYS A 105 17.602 -4.414 -7.926 1.00 0.00 C ATOM 1615 NZ LYS A 105 16.514 -5.033 -8.721 1.00 0.00 N ATOM 0 H LYS A 105 17.856 1.246 -5.082 1.00 0.00 H new ATOM 0 HA LYS A 105 18.690 -1.288 -4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 105 16.950 -0.900 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 105 18.210 -0.362 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 105 19.259 -2.544 -6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 105 18.323 -3.097 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 105 16.249 -3.071 -6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 105 17.082 -2.343 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 105 18.502 -4.340 -8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 105 17.844 -5.055 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 16.898 -5.822 -9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 15.775 -5.388 -8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 16.105 -4.323 -9.361 1.00 0.00 H new ATOM 1629 N ALA A 106 21.034 -1.692 -4.689 1.00 0.00 N ATOM 1630 CA ALA A 106 22.445 -1.992 -4.910 1.00 0.00 C ATOM 1631 C ALA A 106 22.696 -3.500 -4.713 1.00 0.00 C ATOM 1632 O ALA A 106 22.184 -4.116 -3.773 1.00 0.00 O ATOM 1633 CB ALA A 106 23.301 -1.166 -3.939 1.00 0.00 C ATOM 0 H ALA A 106 20.577 -2.391 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 106 22.721 -1.729 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 106 24.355 -1.389 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.124 -0.104 -4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 106 23.032 -1.417 -2.913 1.00 0.00 H new ATOM 1639 N GLU A 107 23.498 -4.092 -5.593 1.00 0.00 N ATOM 1640 CA GLU A 107 23.958 -5.486 -5.492 1.00 0.00 C ATOM 1641 C GLU A 107 25.075 -5.640 -4.437 1.00 0.00 C ATOM 1642 O GLU A 107 25.973 -4.795 -4.341 1.00 0.00 O ATOM 1643 CB GLU A 107 24.402 -5.975 -6.883 1.00 0.00 C ATOM 1644 CG GLU A 107 24.731 -7.474 -6.915 1.00 0.00 C ATOM 1645 CD GLU A 107 25.049 -7.940 -8.349 1.00 0.00 C ATOM 1646 OE1 GLU A 107 26.227 -7.844 -8.778 1.00 0.00 O ATOM 1647 OE2 GLU A 107 24.127 -8.412 -9.059 1.00 0.00 O ATOM 0 H GLU A 107 23.858 -3.611 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 107 23.133 -6.112 -5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 107 23.612 -5.767 -7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 107 25.279 -5.409 -7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 107 25.583 -7.677 -6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 107 23.888 -8.043 -6.522 1.00 0.00 H new ATOM 1654 N LYS A 108 25.027 -6.728 -3.652 1.00 0.00 N ATOM 1655 CA LYS A 108 25.993 -7.068 -2.590 1.00 0.00 C ATOM 1656 C LYS A 108 26.223 -8.585 -2.502 1.00 0.00 C ATOM 1657 O LYS A 108 25.227 -9.343 -2.439 1.00 0.00 O ATOM 1658 CB LYS A 108 25.499 -6.471 -1.255 1.00 0.00 C ATOM 1659 CG LYS A 108 26.460 -6.653 -0.067 1.00 0.00 C ATOM 1660 CD LYS A 108 27.808 -5.941 -0.259 1.00 0.00 C ATOM 1661 CE LYS A 108 28.658 -6.074 1.011 1.00 0.00 C ATOM 1662 NZ LYS A 108 29.973 -5.397 0.864 1.00 0.00 N ATOM 1663 OXT LYS A 108 27.400 -9.008 -2.521 1.00 0.00 O ATOM 0 H LYS A 108 24.286 -7.423 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 108 26.964 -6.633 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 108 25.317 -5.406 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 108 24.542 -6.927 -1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 108 25.983 -6.275 0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 108 26.638 -7.717 0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 108 28.338 -6.372 -1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 108 27.643 -4.888 -0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 108 28.120 -5.645 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 108 28.815 -7.129 1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 30.520 -5.508 1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 30.497 -5.824 0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 29.823 -4.385 0.674 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.966 -2.648 -7.912 1.00 0.00 ZN