USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 767 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 HIS : no HE2:sc= -2.48 K(o=-3.5,f=-5!) USER MOD Set 1.2: A 93 SER OG : rot -170:sc= -0.971 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.0467 K(o=0.047,f=-1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -144:sc= 0 (180deg=-0.819) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.082) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN :FLIP amide:sc= -1.07 F(o=-2.1,f=-1.1) USER MOD Single : A 31 SER OG : rot 180:sc= -0.118 USER MOD Single : A 40 LYS NZ :NH3+ 123:sc= -0.139 (180deg=-0.723) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.103 (180deg=-0.508) USER MOD Single : A 48 HIS : no HE2:sc= -4.21 K(o=-4.2,f=-6.4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0779 USER MOD Single : A 58 HIS : no HD1:sc= -0.742 K(o=-0.74,f=-1.8!) USER MOD Single : A 60 SER OG : rot -160:sc= -0.205 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -170:sc= 0.713 USER MOD Single : A 74 HIS : no HE2:sc= -0.954 K(o=-0.95,f=-4.8!) USER MOD Single : A 76 ASN : amide:sc=-0.00925 X(o=-0.0093,f=-0.3) USER MOD Single : A 79 HIS : no HE2:sc= -5.78! C(o=-5.8!,f=-8.8!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.0779 X(o=-0.078,f=0.38) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.123 33.615 -11.165 1.00 0.00 N ATOM 2 CA GLY A 1 5.020 33.249 -12.566 1.00 0.00 C ATOM 3 C GLY A 1 4.022 32.132 -12.801 1.00 0.00 C ATOM 4 O GLY A 1 3.032 32.315 -13.510 1.00 0.00 O ATOM 0 H1 GLY A 1 5.817 34.382 -11.057 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.196 33.936 -10.821 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.430 32.789 -10.612 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.725 34.123 -13.146 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.000 32.940 -12.931 1.00 0.00 H new ATOM 8 N SER A 2 4.283 30.972 -12.207 1.00 0.00 N ATOM 9 CA SER A 2 3.403 29.820 -12.361 1.00 0.00 C ATOM 10 C SER A 2 1.958 30.193 -12.041 1.00 0.00 C ATOM 11 O SER A 2 1.686 30.876 -11.054 1.00 0.00 O ATOM 12 CB SER A 2 3.860 28.678 -11.451 1.00 0.00 C ATOM 13 OG SER A 2 3.345 27.434 -11.896 1.00 0.00 O ATOM 0 H SER A 2 5.097 30.805 -11.615 1.00 0.00 H new ATOM 0 HA SER A 2 3.454 29.491 -13.399 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.949 28.638 -11.431 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.529 28.868 -10.430 1.00 0.00 H new ATOM 0 HG SER A 2 3.653 26.720 -11.299 1.00 0.00 H new ATOM 19 N SER A 3 1.036 29.738 -12.884 1.00 0.00 N ATOM 20 CA SER A 3 -0.381 30.027 -12.694 1.00 0.00 C ATOM 21 C SER A 3 -1.159 28.750 -12.391 1.00 0.00 C ATOM 22 O SER A 3 -0.936 27.712 -13.012 1.00 0.00 O ATOM 23 CB SER A 3 -0.955 30.705 -13.939 1.00 0.00 C ATOM 24 OG SER A 3 -0.962 29.820 -15.046 1.00 0.00 O ATOM 0 H SER A 3 1.244 29.168 -13.704 1.00 0.00 H new ATOM 0 HA SER A 3 -0.479 30.702 -11.844 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.970 31.046 -13.736 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.365 31.589 -14.180 1.00 0.00 H new ATOM 0 HG SER A 3 -1.335 30.277 -15.828 1.00 0.00 H new ATOM 30 N GLY A 4 -2.076 28.837 -11.432 1.00 0.00 N ATOM 31 CA GLY A 4 -2.874 27.683 -11.062 1.00 0.00 C ATOM 32 C GLY A 4 -3.379 27.760 -9.635 1.00 0.00 C ATOM 33 O GLY A 4 -2.729 27.268 -8.712 1.00 0.00 O ATOM 0 H GLY A 4 -2.280 29.686 -10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.723 27.600 -11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.278 26.779 -11.185 1.00 0.00 H new ATOM 37 N SER A 5 -4.540 28.381 -9.452 1.00 0.00 N ATOM 38 CA SER A 5 -5.128 28.526 -8.126 1.00 0.00 C ATOM 39 C SER A 5 -5.208 27.177 -7.417 1.00 0.00 C ATOM 40 O SER A 5 -5.299 26.131 -8.058 1.00 0.00 O ATOM 41 CB SER A 5 -6.524 29.144 -8.229 1.00 0.00 C ATOM 42 OG SER A 5 -6.455 30.559 -8.239 1.00 0.00 O ATOM 0 H SER A 5 -5.092 28.792 -10.205 1.00 0.00 H new ATOM 0 HA SER A 5 -4.488 29.187 -7.542 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.014 28.794 -9.138 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.135 28.812 -7.389 1.00 0.00 H new ATOM 0 HG SER A 5 -7.359 30.930 -8.307 1.00 0.00 H new ATOM 48 N SER A 6 -5.173 27.211 -6.088 1.00 0.00 N ATOM 49 CA SER A 6 -5.238 25.992 -5.290 1.00 0.00 C ATOM 50 C SER A 6 -6.589 25.870 -4.593 1.00 0.00 C ATOM 51 O SER A 6 -7.319 26.851 -4.453 1.00 0.00 O ATOM 52 CB SER A 6 -4.113 25.976 -4.253 1.00 0.00 C ATOM 53 OG SER A 6 -4.412 26.832 -3.164 1.00 0.00 O ATOM 0 H SER A 6 -5.100 28.069 -5.542 1.00 0.00 H new ATOM 0 HA SER A 6 -5.117 25.141 -5.961 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.963 24.959 -3.890 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.179 26.289 -4.720 1.00 0.00 H new ATOM 0 HG SER A 6 -3.679 26.803 -2.514 1.00 0.00 H new ATOM 59 N GLY A 7 -6.916 24.657 -4.158 1.00 0.00 N ATOM 60 CA GLY A 7 -8.179 24.427 -3.482 1.00 0.00 C ATOM 61 C GLY A 7 -8.232 23.077 -2.795 1.00 0.00 C ATOM 62 O GLY A 7 -7.224 22.596 -2.277 1.00 0.00 O ATOM 0 H GLY A 7 -6.329 23.830 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.341 25.213 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.992 24.495 -4.205 1.00 0.00 H new ATOM 66 N SER A 8 -9.411 22.463 -2.789 1.00 0.00 N ATOM 67 CA SER A 8 -9.592 21.162 -2.156 1.00 0.00 C ATOM 68 C SER A 8 -8.405 20.248 -2.443 1.00 0.00 C ATOM 69 O SER A 8 -8.016 20.060 -3.596 1.00 0.00 O ATOM 70 CB SER A 8 -10.885 20.508 -2.648 1.00 0.00 C ATOM 71 OG SER A 8 -12.012 21.030 -1.966 1.00 0.00 O ATOM 0 H SER A 8 -10.255 22.846 -3.215 1.00 0.00 H new ATOM 0 HA SER A 8 -9.657 21.315 -1.079 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.995 20.674 -3.720 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.831 19.430 -2.496 1.00 0.00 H new ATOM 0 HG SER A 8 -12.826 20.597 -2.300 1.00 0.00 H new ATOM 77 N ASP A 9 -7.834 19.681 -1.386 1.00 0.00 N ATOM 78 CA ASP A 9 -6.691 18.785 -1.523 1.00 0.00 C ATOM 79 C ASP A 9 -6.876 17.847 -2.712 1.00 0.00 C ATOM 80 O ASP A 9 -7.978 17.363 -2.967 1.00 0.00 O ATOM 81 CB ASP A 9 -6.496 17.973 -0.242 1.00 0.00 C ATOM 82 CG ASP A 9 -6.170 18.847 0.953 1.00 0.00 C ATOM 83 OD1 ASP A 9 -5.634 19.957 0.748 1.00 0.00 O ATOM 84 OD2 ASP A 9 -6.448 18.421 2.094 1.00 0.00 O ATOM 0 H ASP A 9 -8.144 19.826 -0.425 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.803 19.392 -1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.402 17.403 -0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.692 17.252 -0.391 1.00 0.00 H new ATOM 89 N ASP A 10 -5.790 17.596 -3.435 1.00 0.00 N ATOM 90 CA ASP A 10 -5.832 16.716 -4.597 1.00 0.00 C ATOM 91 C ASP A 10 -5.738 15.253 -4.174 1.00 0.00 C ATOM 92 O ASP A 10 -4.953 14.485 -4.729 1.00 0.00 O ATOM 93 CB ASP A 10 -4.694 17.054 -5.561 1.00 0.00 C ATOM 94 CG ASP A 10 -4.719 18.505 -6.000 1.00 0.00 C ATOM 95 OD1 ASP A 10 -4.376 19.380 -5.177 1.00 0.00 O ATOM 96 OD2 ASP A 10 -5.082 18.766 -7.166 1.00 0.00 O ATOM 0 H ASP A 10 -4.870 17.989 -3.237 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.785 16.869 -5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.739 16.839 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.762 16.411 -6.438 1.00 0.00 H new ATOM 101 N ALA A 11 -6.544 14.875 -3.187 1.00 0.00 N ATOM 102 CA ALA A 11 -6.553 13.505 -2.690 1.00 0.00 C ATOM 103 C ALA A 11 -7.193 12.559 -3.701 1.00 0.00 C ATOM 104 O ALA A 11 -6.813 11.392 -3.800 1.00 0.00 O ATOM 105 CB ALA A 11 -7.285 13.431 -1.358 1.00 0.00 C ATOM 0 H ALA A 11 -7.199 15.499 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.520 13.192 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.284 12.402 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.783 14.070 -0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.313 13.768 -1.489 1.00 0.00 H new ATOM 111 N ARG A 12 -8.167 13.069 -4.448 1.00 0.00 N ATOM 112 CA ARG A 12 -8.861 12.268 -5.449 1.00 0.00 C ATOM 113 C ARG A 12 -8.003 12.100 -6.701 1.00 0.00 C ATOM 114 O ARG A 12 -8.298 11.269 -7.560 1.00 0.00 O ATOM 115 CB ARG A 12 -10.196 12.918 -5.817 1.00 0.00 C ATOM 116 CG ARG A 12 -11.284 12.704 -4.776 1.00 0.00 C ATOM 117 CD ARG A 12 -12.669 12.899 -5.371 1.00 0.00 C ATOM 118 NE ARG A 12 -13.719 12.795 -4.360 1.00 0.00 N ATOM 119 CZ ARG A 12 -14.994 12.561 -4.647 1.00 0.00 C ATOM 120 NH1 ARG A 12 -15.377 12.409 -5.907 1.00 0.00 N ATOM 121 NH2 ARG A 12 -15.891 12.479 -3.672 1.00 0.00 N ATOM 0 H ARG A 12 -8.493 14.033 -4.379 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.049 11.283 -5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.043 13.988 -5.956 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.535 12.517 -6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.202 11.698 -4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.140 13.400 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.723 13.876 -5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.838 12.153 -6.148 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.458 12.908 -3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.691 12.472 -6.660 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.357 12.229 -6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.601 12.596 -2.701 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.870 12.299 -3.894 1.00 0.00 H new ATOM 135 N ARG A 13 -6.943 12.895 -6.796 1.00 0.00 N ATOM 136 CA ARG A 13 -6.044 12.836 -7.942 1.00 0.00 C ATOM 137 C ARG A 13 -4.838 11.951 -7.643 1.00 0.00 C ATOM 138 O ARG A 13 -3.693 12.348 -7.861 1.00 0.00 O ATOM 139 CB ARG A 13 -5.576 14.242 -8.324 1.00 0.00 C ATOM 140 CG ARG A 13 -6.476 14.929 -9.338 1.00 0.00 C ATOM 141 CD ARG A 13 -6.401 16.443 -9.213 1.00 0.00 C ATOM 142 NE ARG A 13 -6.685 17.111 -10.480 1.00 0.00 N ATOM 143 CZ ARG A 13 -5.810 17.200 -11.476 1.00 0.00 C ATOM 144 NH1 ARG A 13 -4.603 16.666 -11.352 1.00 0.00 N ATOM 145 NH2 ARG A 13 -6.143 17.825 -12.599 1.00 0.00 N ATOM 0 H ARG A 13 -6.685 13.588 -6.093 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.592 12.403 -8.779 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.523 14.855 -7.424 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.566 14.182 -8.729 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.185 14.631 -10.345 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.505 14.601 -9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.111 16.780 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.408 16.729 -8.867 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.605 17.532 -10.607 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.344 16.185 -10.490 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.933 16.736 -12.118 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.071 18.237 -12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.471 17.893 -13.363 1.00 0.00 H new ATOM 159 N LEU A 14 -5.103 10.750 -7.140 1.00 0.00 N ATOM 160 CA LEU A 14 -4.040 9.807 -6.810 1.00 0.00 C ATOM 161 C LEU A 14 -4.408 8.394 -7.249 1.00 0.00 C ATOM 162 O LEU A 14 -5.518 7.922 -6.996 1.00 0.00 O ATOM 163 CB LEU A 14 -3.761 9.830 -5.306 1.00 0.00 C ATOM 164 CG LEU A 14 -2.709 10.834 -4.833 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.344 12.192 -4.580 1.00 0.00 C ATOM 166 CD2 LEU A 14 -2.013 10.326 -3.578 1.00 0.00 C ATOM 0 H LEU A 14 -6.045 10.406 -6.952 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.140 10.110 -7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.696 10.042 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.445 8.833 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.962 10.946 -5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.581 12.894 -4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.795 12.560 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.112 12.097 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.268 11.053 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.748 10.185 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.524 9.376 -3.793 1.00 0.00 H new ATOM 178 N THR A 15 -3.470 7.720 -7.908 1.00 0.00 N ATOM 179 CA THR A 15 -3.695 6.361 -8.381 1.00 0.00 C ATOM 180 C THR A 15 -2.681 5.394 -7.781 1.00 0.00 C ATOM 181 O THR A 15 -1.544 5.770 -7.497 1.00 0.00 O ATOM 182 CB THR A 15 -3.617 6.281 -9.918 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.445 7.291 -10.504 1.00 0.00 O ATOM 184 CG2 THR A 15 -4.055 4.910 -10.411 1.00 0.00 C ATOM 0 H THR A 15 -2.547 8.095 -8.126 1.00 0.00 H new ATOM 0 HA THR A 15 -4.697 6.077 -8.060 1.00 0.00 H new ATOM 0 HB THR A 15 -2.581 6.443 -10.216 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.388 7.234 -11.481 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.992 4.877 -11.499 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.404 4.146 -9.986 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.083 4.724 -10.102 1.00 0.00 H new ATOM 192 N VAL A 16 -3.099 4.147 -7.591 1.00 0.00 N ATOM 193 CA VAL A 16 -2.226 3.125 -7.026 1.00 0.00 C ATOM 194 C VAL A 16 -1.806 2.113 -8.087 1.00 0.00 C ATOM 195 O VAL A 16 -2.624 1.330 -8.570 1.00 0.00 O ATOM 196 CB VAL A 16 -2.911 2.381 -5.865 1.00 0.00 C ATOM 197 CG1 VAL A 16 -1.987 1.316 -5.293 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.340 3.362 -4.784 1.00 0.00 C ATOM 0 H VAL A 16 -4.038 3.820 -7.820 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.342 3.638 -6.647 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.802 1.886 -6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.489 0.801 -4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.734 0.597 -6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.076 1.786 -4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.822 2.819 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.465 3.887 -4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.041 4.083 -5.205 1.00 0.00 H new ATOM 208 N MET A 17 -0.527 2.135 -8.443 1.00 0.00 N ATOM 209 CA MET A 17 0.002 1.217 -9.446 1.00 0.00 C ATOM 210 C MET A 17 0.727 0.049 -8.785 1.00 0.00 C ATOM 211 O MET A 17 1.195 0.157 -7.652 1.00 0.00 O ATOM 212 CB MET A 17 0.954 1.954 -10.391 1.00 0.00 C ATOM 213 CG MET A 17 0.272 3.026 -11.225 1.00 0.00 C ATOM 214 SD MET A 17 1.216 3.465 -12.697 1.00 0.00 S ATOM 215 CE MET A 17 2.703 4.136 -11.958 1.00 0.00 C ATOM 0 H MET A 17 0.163 2.777 -8.053 1.00 0.00 H new ATOM 0 HA MET A 17 -0.836 0.823 -10.020 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.751 2.413 -9.806 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.424 1.231 -11.057 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.716 2.675 -11.523 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.124 3.917 -10.614 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.065 4.968 -12.561 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.482 4.488 -10.950 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.468 3.361 -11.912 1.00 0.00 H new ATOM 225 N SER A 18 0.815 -1.068 -9.501 1.00 0.00 N ATOM 226 CA SER A 18 1.479 -2.258 -8.982 1.00 0.00 C ATOM 227 C SER A 18 0.814 -2.733 -7.694 1.00 0.00 C ATOM 228 O SER A 18 1.489 -3.067 -6.719 1.00 0.00 O ATOM 229 CB SER A 18 2.961 -1.972 -8.728 1.00 0.00 C ATOM 230 OG SER A 18 3.646 -1.717 -9.942 1.00 0.00 O ATOM 0 H SER A 18 0.435 -1.173 -10.442 1.00 0.00 H new ATOM 0 HA SER A 18 1.391 -3.047 -9.729 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.060 -1.114 -8.063 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.417 -2.822 -8.221 1.00 0.00 H new ATOM 0 HG SER A 18 4.590 -1.535 -9.753 1.00 0.00 H new ATOM 236 N LEU A 19 -0.514 -2.761 -7.697 1.00 0.00 N ATOM 237 CA LEU A 19 -1.274 -3.195 -6.530 1.00 0.00 C ATOM 238 C LEU A 19 -1.856 -4.588 -6.747 1.00 0.00 C ATOM 239 O LEU A 19 -2.458 -4.864 -7.784 1.00 0.00 O ATOM 240 CB LEU A 19 -2.397 -2.201 -6.229 1.00 0.00 C ATOM 241 CG LEU A 19 -3.214 -2.475 -4.965 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.378 -2.212 -3.722 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.475 -1.624 -4.952 1.00 0.00 C ATOM 0 H LEU A 19 -1.087 -2.488 -8.495 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.595 -3.234 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.962 -1.205 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.077 -2.183 -7.081 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.508 -3.525 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.976 -2.412 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.504 -2.864 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.054 -1.171 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.045 -1.831 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.202 -0.569 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.083 -1.861 -5.825 1.00 0.00 H new ATOM 255 N GLN A 20 -1.675 -5.460 -5.760 1.00 0.00 N ATOM 256 CA GLN A 20 -2.184 -6.824 -5.843 1.00 0.00 C ATOM 257 C GLN A 20 -3.574 -6.925 -5.222 1.00 0.00 C ATOM 258 O GLN A 20 -3.806 -6.437 -4.117 1.00 0.00 O ATOM 259 CB GLN A 20 -1.229 -7.792 -5.143 1.00 0.00 C ATOM 260 CG GLN A 20 -1.282 -9.206 -5.697 1.00 0.00 C ATOM 261 CD GLN A 20 -0.566 -9.340 -7.026 1.00 0.00 C ATOM 262 OE1 GLN A 20 -1.170 -9.181 -8.088 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.727 -9.635 -6.976 1.00 0.00 N ATOM 0 H GLN A 20 -1.180 -5.246 -4.894 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.255 -7.094 -6.897 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.211 -7.413 -5.233 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.467 -7.818 -4.080 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.834 -9.891 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.323 -9.506 -5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.188 -9.758 -6.074 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.260 -9.739 -7.839 1.00 0.00 H new ATOM 272 N GLU A 21 -4.494 -7.560 -5.942 1.00 0.00 N ATOM 273 CA GLU A 21 -5.860 -7.723 -5.461 1.00 0.00 C ATOM 274 C GLU A 21 -6.070 -9.119 -4.881 1.00 0.00 C ATOM 275 O GLU A 21 -6.248 -9.281 -3.673 1.00 0.00 O ATOM 276 CB GLU A 21 -6.857 -7.475 -6.595 1.00 0.00 C ATOM 277 CG GLU A 21 -7.104 -6.002 -6.877 1.00 0.00 C ATOM 278 CD GLU A 21 -8.292 -5.774 -7.791 1.00 0.00 C ATOM 279 OE1 GLU A 21 -8.363 -6.438 -8.847 1.00 0.00 O ATOM 280 OE2 GLU A 21 -9.150 -4.933 -7.451 1.00 0.00 O ATOM 0 H GLU A 21 -4.318 -7.969 -6.859 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.029 -6.991 -4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.489 -7.953 -7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.805 -7.952 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.269 -5.478 -5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.213 -5.568 -7.331 1.00 0.00 H new ATOM 287 N SER A 22 -6.050 -10.124 -5.751 1.00 0.00 N ATOM 288 CA SER A 22 -6.242 -11.506 -5.327 1.00 0.00 C ATOM 289 C SER A 22 -5.038 -12.363 -5.706 1.00 0.00 C ATOM 290 O SER A 22 -5.175 -13.551 -5.998 1.00 0.00 O ATOM 291 CB SER A 22 -7.512 -12.083 -5.956 1.00 0.00 C ATOM 292 OG SER A 22 -7.330 -12.325 -7.340 1.00 0.00 O ATOM 0 H SER A 22 -5.903 -10.007 -6.754 1.00 0.00 H new ATOM 0 HA SER A 22 -6.346 -11.516 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.781 -13.012 -5.453 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.341 -11.390 -5.811 1.00 0.00 H new ATOM 0 HG SER A 22 -8.155 -12.695 -7.719 1.00 0.00 H new ATOM 298 N GLY A 23 -3.858 -11.751 -5.700 1.00 0.00 N ATOM 299 CA GLY A 23 -2.647 -12.472 -6.046 1.00 0.00 C ATOM 300 C GLY A 23 -1.506 -12.179 -5.091 1.00 0.00 C ATOM 301 O GLY A 23 -0.345 -12.120 -5.498 1.00 0.00 O ATOM 0 H GLY A 23 -3.719 -10.769 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.852 -13.543 -6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.346 -12.206 -7.059 1.00 0.00 H new ATOM 305 N LEU A 24 -1.835 -11.995 -3.817 1.00 0.00 N ATOM 306 CA LEU A 24 -0.829 -11.706 -2.801 1.00 0.00 C ATOM 307 C LEU A 24 -0.154 -12.987 -2.323 1.00 0.00 C ATOM 308 O LEU A 24 -0.557 -14.090 -2.693 1.00 0.00 O ATOM 309 CB LEU A 24 -1.468 -10.980 -1.616 1.00 0.00 C ATOM 310 CG LEU A 24 -1.503 -9.454 -1.703 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.279 -8.870 -0.533 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.090 -8.889 -1.743 1.00 0.00 C ATOM 0 H LEU A 24 -2.791 -12.041 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.071 -11.063 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.490 -11.341 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.929 -11.260 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.011 -9.174 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.293 -7.783 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.301 -9.248 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.800 -9.160 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.135 -7.802 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.444 -9.179 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.434 -9.281 -2.615 1.00 0.00 H new ATOM 324 N LYS A 25 0.876 -12.835 -1.498 1.00 0.00 N ATOM 325 CA LYS A 25 1.607 -13.978 -0.966 1.00 0.00 C ATOM 326 C LYS A 25 1.861 -13.814 0.530 1.00 0.00 C ATOM 327 O LYS A 25 2.359 -12.780 0.975 1.00 0.00 O ATOM 328 CB LYS A 25 2.937 -14.149 -1.704 1.00 0.00 C ATOM 329 CG LYS A 25 2.788 -14.739 -3.095 1.00 0.00 C ATOM 330 CD LYS A 25 4.056 -14.562 -3.914 1.00 0.00 C ATOM 331 CE LYS A 25 5.013 -15.728 -3.719 1.00 0.00 C ATOM 332 NZ LYS A 25 6.290 -15.527 -4.458 1.00 0.00 N ATOM 0 H LYS A 25 1.224 -11.929 -1.183 1.00 0.00 H new ATOM 0 HA LYS A 25 0.997 -14.869 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.428 -13.179 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.591 -14.791 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.549 -15.800 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.953 -14.260 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.799 -14.473 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.549 -13.633 -3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.224 -15.851 -2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.538 -16.648 -4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.915 -16.343 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.092 -15.435 -5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.756 -14.662 -4.116 1.00 0.00 H new ATOM 346 N VAL A 26 1.516 -14.841 1.300 1.00 0.00 N ATOM 347 CA VAL A 26 1.709 -14.811 2.745 1.00 0.00 C ATOM 348 C VAL A 26 3.186 -14.936 3.105 1.00 0.00 C ATOM 349 O VAL A 26 3.957 -15.575 2.391 1.00 0.00 O ATOM 350 CB VAL A 26 0.926 -15.940 3.440 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.536 -15.914 3.018 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.554 -17.291 3.131 1.00 0.00 C ATOM 0 H VAL A 26 1.102 -15.704 0.947 1.00 0.00 H new ATOM 0 HA VAL A 26 1.332 -13.850 3.094 1.00 0.00 H new ATOM 0 HB VAL A 26 0.972 -15.781 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.074 -16.719 3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.977 -14.956 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.606 -16.048 1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.988 -18.078 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.540 -17.461 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.584 -17.303 3.487 1.00 0.00 H new ATOM 362 N ASN A 27 3.572 -14.320 4.218 1.00 0.00 N ATOM 363 CA ASN A 27 4.957 -14.362 4.673 1.00 0.00 C ATOM 364 C ASN A 27 5.910 -13.949 3.555 1.00 0.00 C ATOM 365 O ASN A 27 6.928 -14.599 3.323 1.00 0.00 O ATOM 366 CB ASN A 27 5.311 -15.766 5.167 1.00 0.00 C ATOM 367 CG ASN A 27 4.892 -15.995 6.606 1.00 0.00 C ATOM 368 OD1 ASN A 27 5.551 -15.534 7.537 1.00 0.00 O ATOM 369 ND2 ASN A 27 3.790 -16.712 6.794 1.00 0.00 N ATOM 0 H ASN A 27 2.946 -13.786 4.821 1.00 0.00 H new ATOM 0 HA ASN A 27 5.064 -13.656 5.497 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.828 -16.505 4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.386 -15.920 5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.459 -16.900 7.740 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.275 -17.075 5.992 1.00 0.00 H new ATOM 376 N GLN A 28 5.571 -12.863 2.868 1.00 0.00 N ATOM 377 CA GLN A 28 6.396 -12.363 1.775 1.00 0.00 C ATOM 378 C GLN A 28 6.251 -10.852 1.629 1.00 0.00 C ATOM 379 O GLN A 28 5.173 -10.287 1.816 1.00 0.00 O ATOM 380 CB GLN A 28 6.016 -13.052 0.463 1.00 0.00 C ATOM 381 CG GLN A 28 6.784 -14.338 0.207 1.00 0.00 C ATOM 382 CD GLN A 28 8.285 -14.151 0.307 1.00 0.00 C ATOM 383 OE1 GLN A 28 8.912 -13.782 -0.805 1.00 0.00 O flip ATOM 384 NE2 GLN A 28 8.876 -14.336 1.371 1.00 0.00 N flip ATOM 0 H GLN A 28 4.731 -12.313 3.049 1.00 0.00 H new ATOM 0 HA GLN A 28 7.437 -12.589 2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.949 -13.272 0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.191 -12.363 -0.363 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.467 -15.095 0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.534 -14.715 -0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.355 -14.619 2.201 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.886 -14.206 1.422 1.00 0.00 H new ATOM 393 N PRO A 29 7.360 -10.180 1.289 1.00 0.00 N ATOM 394 CA PRO A 29 7.381 -8.725 1.111 1.00 0.00 C ATOM 395 C PRO A 29 6.614 -8.281 -0.130 1.00 0.00 C ATOM 396 O PRO A 29 6.948 -8.669 -1.249 1.00 0.00 O ATOM 397 CB PRO A 29 8.871 -8.407 0.960 1.00 0.00 C ATOM 398 CG PRO A 29 9.477 -9.667 0.444 1.00 0.00 C ATOM 399 CD PRO A 29 8.680 -10.789 1.051 1.00 0.00 C ATOM 0 HA PRO A 29 6.902 -8.207 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.031 -7.579 0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.312 -8.117 1.913 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.435 -9.703 -0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.528 -9.738 0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.613 -11.644 0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.130 -11.147 1.977 1.00 0.00 H new ATOM 407 N ALA A 30 5.585 -7.467 0.076 1.00 0.00 N ATOM 408 CA ALA A 30 4.772 -6.969 -1.027 1.00 0.00 C ATOM 409 C ALA A 30 4.700 -5.446 -1.012 1.00 0.00 C ATOM 410 O ALA A 30 4.180 -4.848 -0.069 1.00 0.00 O ATOM 411 CB ALA A 30 3.374 -7.566 -0.963 1.00 0.00 C ATOM 0 H ALA A 30 5.294 -7.138 0.997 1.00 0.00 H new ATOM 0 HA ALA A 30 5.244 -7.275 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.778 -7.186 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.439 -8.652 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.903 -7.289 -0.020 1.00 0.00 H new ATOM 417 N SER A 31 5.227 -4.823 -2.061 1.00 0.00 N ATOM 418 CA SER A 31 5.226 -3.368 -2.166 1.00 0.00 C ATOM 419 C SER A 31 4.473 -2.914 -3.413 1.00 0.00 C ATOM 420 O SER A 31 4.255 -3.694 -4.339 1.00 0.00 O ATOM 421 CB SER A 31 6.661 -2.838 -2.201 1.00 0.00 C ATOM 422 OG SER A 31 6.680 -1.428 -2.339 1.00 0.00 O ATOM 0 H SER A 31 5.660 -5.303 -2.850 1.00 0.00 H new ATOM 0 HA SER A 31 4.718 -2.965 -1.290 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.180 -3.124 -1.286 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.201 -3.295 -3.030 1.00 0.00 H new ATOM 0 HG SER A 31 7.608 -1.114 -2.357 1.00 0.00 H new ATOM 428 N PHE A 32 4.078 -1.645 -3.428 1.00 0.00 N ATOM 429 CA PHE A 32 3.349 -1.085 -4.560 1.00 0.00 C ATOM 430 C PHE A 32 3.762 0.362 -4.811 1.00 0.00 C ATOM 431 O PHE A 32 4.383 0.999 -3.960 1.00 0.00 O ATOM 432 CB PHE A 32 1.841 -1.160 -4.310 1.00 0.00 C ATOM 433 CG PHE A 32 1.407 -0.467 -3.050 1.00 0.00 C ATOM 434 CD1 PHE A 32 1.440 0.915 -2.957 1.00 0.00 C ATOM 435 CD2 PHE A 32 0.967 -1.198 -1.958 1.00 0.00 C ATOM 436 CE1 PHE A 32 1.041 1.555 -1.799 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.566 -0.563 -0.798 1.00 0.00 C ATOM 438 CZ PHE A 32 0.604 0.815 -0.718 1.00 0.00 C ATOM 0 H PHE A 32 4.250 -0.985 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 32 3.594 -1.673 -5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.318 -0.717 -5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.540 -2.207 -4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.781 1.499 -3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.937 -2.276 -2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.071 2.633 -1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.223 -1.144 0.045 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.293 1.313 0.188 1.00 0.00 H new ATOM 448 N ALA A 33 3.414 0.875 -5.987 1.00 0.00 N ATOM 449 CA ALA A 33 3.747 2.247 -6.350 1.00 0.00 C ATOM 450 C ALA A 33 2.500 3.125 -6.380 1.00 0.00 C ATOM 451 O ALA A 33 1.442 2.701 -6.847 1.00 0.00 O ATOM 452 CB ALA A 33 4.450 2.279 -7.699 1.00 0.00 C ATOM 0 H ALA A 33 2.902 0.361 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 33 4.421 2.645 -5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.693 3.309 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.367 1.692 -7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.794 1.858 -8.461 1.00 0.00 H new ATOM 458 N ILE A 34 2.632 4.348 -5.879 1.00 0.00 N ATOM 459 CA ILE A 34 1.516 5.285 -5.849 1.00 0.00 C ATOM 460 C ILE A 34 1.690 6.381 -6.895 1.00 0.00 C ATOM 461 O ILE A 34 2.537 7.263 -6.750 1.00 0.00 O ATOM 462 CB ILE A 34 1.364 5.935 -4.461 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.232 4.859 -3.382 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.159 6.864 -4.441 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.615 5.340 -2.000 1.00 0.00 C ATOM 0 H ILE A 34 3.500 4.713 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 34 0.616 4.712 -6.073 1.00 0.00 H new ATOM 0 HB ILE A 34 2.257 6.525 -4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.203 4.501 -3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.860 4.009 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.064 7.316 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.291 7.647 -5.188 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.743 6.295 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.497 4.525 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.653 5.671 -2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.971 6.171 -1.712 1.00 0.00 H new ATOM 477 N ARG A 35 0.882 6.321 -7.948 1.00 0.00 N ATOM 478 CA ARG A 35 0.946 7.309 -9.018 1.00 0.00 C ATOM 479 C ARG A 35 0.353 8.640 -8.566 1.00 0.00 C ATOM 480 O ARG A 35 -0.723 8.682 -7.967 1.00 0.00 O ATOM 481 CB ARG A 35 0.201 6.801 -10.255 1.00 0.00 C ATOM 482 CG ARG A 35 -0.379 7.912 -11.115 1.00 0.00 C ATOM 483 CD ARG A 35 -0.534 7.472 -12.562 1.00 0.00 C ATOM 484 NE ARG A 35 -1.188 8.493 -13.377 1.00 0.00 N ATOM 485 CZ ARG A 35 -1.341 8.396 -14.693 1.00 0.00 C ATOM 486 NH1 ARG A 35 -0.890 7.330 -15.339 1.00 0.00 N ATOM 487 NH2 ARG A 35 -1.947 9.367 -15.365 1.00 0.00 N ATOM 0 H ARG A 35 0.175 5.598 -8.083 1.00 0.00 H new ATOM 0 HA ARG A 35 1.995 7.465 -9.271 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.883 6.203 -10.860 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.606 6.140 -9.937 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.349 8.212 -10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.269 8.787 -11.067 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.447 7.248 -12.980 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.115 6.550 -12.601 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.547 9.326 -12.910 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.424 6.582 -14.826 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.009 7.258 -16.349 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.296 10.188 -14.871 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.064 9.292 -16.375 1.00 0.00 H new ATOM 501 N LEU A 36 1.062 9.726 -8.855 1.00 0.00 N ATOM 502 CA LEU A 36 0.607 11.059 -8.477 1.00 0.00 C ATOM 503 C LEU A 36 0.362 11.921 -9.712 1.00 0.00 C ATOM 504 O LEU A 36 1.274 12.166 -10.500 1.00 0.00 O ATOM 505 CB LEU A 36 1.636 11.732 -7.567 1.00 0.00 C ATOM 506 CG LEU A 36 2.040 10.950 -6.317 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.368 11.456 -5.776 1.00 0.00 C ATOM 508 CD2 LEU A 36 0.956 11.051 -5.253 1.00 0.00 C ATOM 0 H LEU A 36 1.954 9.709 -9.350 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.334 10.955 -7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.534 11.931 -8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.238 12.698 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 36 2.159 9.901 -6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.639 10.887 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.141 11.333 -6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.278 12.511 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.259 10.489 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.807 12.097 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.025 10.640 -5.642 1.00 0.00 H new ATOM 520 N ASN A 37 -0.875 12.379 -9.871 1.00 0.00 N ATOM 521 CA ASN A 37 -1.239 13.216 -11.009 1.00 0.00 C ATOM 522 C ASN A 37 -0.927 14.682 -10.729 1.00 0.00 C ATOM 523 O ASN A 37 -1.483 15.579 -11.362 1.00 0.00 O ATOM 524 CB ASN A 37 -2.726 13.052 -11.333 1.00 0.00 C ATOM 525 CG ASN A 37 -3.039 11.701 -11.946 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.998 11.535 -13.166 1.00 0.00 O ATOM 527 ND2 ASN A 37 -3.353 10.726 -11.101 1.00 0.00 N ATOM 0 H ASN A 37 -1.642 12.185 -9.227 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.649 12.896 -11.867 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.310 13.178 -10.421 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.034 13.840 -12.020 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.572 9.795 -11.455 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.375 10.908 -10.098 1.00 0.00 H new ATOM 534 N GLY A 38 -0.032 14.919 -9.774 1.00 0.00 N ATOM 535 CA GLY A 38 0.339 16.278 -9.426 1.00 0.00 C ATOM 536 C GLY A 38 -0.271 16.728 -8.113 1.00 0.00 C ATOM 537 O GLY A 38 -0.610 17.900 -7.949 1.00 0.00 O ATOM 0 H GLY A 38 0.442 14.194 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.425 16.350 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.021 16.953 -10.221 1.00 0.00 H new ATOM 541 N ALA A 39 -0.411 15.795 -7.177 1.00 0.00 N ATOM 542 CA ALA A 39 -0.984 16.103 -5.873 1.00 0.00 C ATOM 543 C ALA A 39 0.108 16.372 -4.843 1.00 0.00 C ATOM 544 O ALA A 39 1.018 15.563 -4.662 1.00 0.00 O ATOM 545 CB ALA A 39 -1.880 14.964 -5.409 1.00 0.00 C ATOM 0 H ALA A 39 -0.136 14.820 -7.298 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.585 17.007 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.302 15.207 -4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.687 14.820 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.294 14.048 -5.333 1.00 0.00 H new ATOM 551 N LYS A 40 0.012 17.514 -4.171 1.00 0.00 N ATOM 552 CA LYS A 40 0.991 17.891 -3.159 1.00 0.00 C ATOM 553 C LYS A 40 0.377 17.843 -1.763 1.00 0.00 C ATOM 554 O LYS A 40 -0.821 18.064 -1.594 1.00 0.00 O ATOM 555 CB LYS A 40 1.533 19.294 -3.441 1.00 0.00 C ATOM 556 CG LYS A 40 0.490 20.389 -3.300 1.00 0.00 C ATOM 557 CD LYS A 40 -0.241 20.636 -4.609 1.00 0.00 C ATOM 558 CE LYS A 40 -0.695 22.083 -4.730 1.00 0.00 C ATOM 559 NZ LYS A 40 0.456 23.027 -4.732 1.00 0.00 N ATOM 0 H LYS A 40 -0.735 18.195 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 40 1.812 17.176 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.358 19.500 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.941 19.320 -4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.228 20.111 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.971 21.310 -2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.413 20.388 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.106 19.976 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.269 22.208 -5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.362 22.325 -3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.431 23.604 -5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.397 23.648 -3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.346 22.490 -4.700 1.00 0.00 H new ATOM 573 N GLY A 41 1.207 17.555 -0.765 1.00 0.00 N ATOM 574 CA GLY A 41 0.727 17.485 0.602 1.00 0.00 C ATOM 575 C GLY A 41 1.425 16.406 1.407 1.00 0.00 C ATOM 576 O GLY A 41 2.645 16.259 1.337 1.00 0.00 O ATOM 0 H GLY A 41 2.203 17.369 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.877 18.450 1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.346 17.294 0.598 1.00 0.00 H new ATOM 580 N LYS A 42 0.649 15.649 2.176 1.00 0.00 N ATOM 581 CA LYS A 42 1.198 14.577 2.998 1.00 0.00 C ATOM 582 C LYS A 42 0.600 13.230 2.607 1.00 0.00 C ATOM 583 O LYS A 42 -0.619 13.056 2.613 1.00 0.00 O ATOM 584 CB LYS A 42 0.931 14.855 4.479 1.00 0.00 C ATOM 585 CG LYS A 42 1.725 16.026 5.031 1.00 0.00 C ATOM 586 CD LYS A 42 1.562 16.150 6.537 1.00 0.00 C ATOM 587 CE LYS A 42 0.225 16.776 6.904 1.00 0.00 C ATOM 588 NZ LYS A 42 0.288 18.264 6.891 1.00 0.00 N ATOM 0 H LYS A 42 -0.363 15.758 2.247 1.00 0.00 H new ATOM 0 HA LYS A 42 2.274 14.539 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.132 15.051 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.169 13.961 5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.780 15.899 4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.396 16.948 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.641 15.164 6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.372 16.756 6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.539 16.439 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.077 16.434 7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.642 18.653 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.999 18.587 7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.551 18.592 5.940 1.00 0.00 H new ATOM 602 N ILE A 43 1.465 12.280 2.269 1.00 0.00 N ATOM 603 CA ILE A 43 1.021 10.947 1.877 1.00 0.00 C ATOM 604 C ILE A 43 1.090 9.978 3.052 1.00 0.00 C ATOM 605 O ILE A 43 2.106 9.893 3.742 1.00 0.00 O ATOM 606 CB ILE A 43 1.867 10.391 0.717 1.00 0.00 C ATOM 607 CG1 ILE A 43 1.817 11.341 -0.481 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.377 9.005 0.322 1.00 0.00 C ATOM 609 CD1 ILE A 43 2.878 11.057 -1.522 1.00 0.00 C ATOM 0 H ILE A 43 2.477 12.408 2.258 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.014 11.042 1.548 1.00 0.00 H new ATOM 0 HB ILE A 43 2.902 10.309 1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.834 11.273 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.932 12.366 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.985 8.625 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.460 8.333 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.335 9.064 0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.783 11.769 -2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.866 11.153 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.751 10.044 -1.904 1.00 0.00 H new ATOM 621 N ASP A 44 0.003 9.247 3.274 1.00 0.00 N ATOM 622 CA ASP A 44 -0.060 8.281 4.364 1.00 0.00 C ATOM 623 C ASP A 44 -0.507 6.914 3.853 1.00 0.00 C ATOM 624 O ASP A 44 -1.487 6.806 3.117 1.00 0.00 O ATOM 625 CB ASP A 44 -1.016 8.770 5.453 1.00 0.00 C ATOM 626 CG ASP A 44 -1.099 7.810 6.624 1.00 0.00 C ATOM 627 OD1 ASP A 44 -0.072 7.620 7.307 1.00 0.00 O ATOM 628 OD2 ASP A 44 -2.191 7.250 6.856 1.00 0.00 O ATOM 0 H ASP A 44 -0.847 9.305 2.713 1.00 0.00 H new ATOM 0 HA ASP A 44 0.940 8.182 4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.687 9.746 5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.010 8.905 5.026 1.00 0.00 H new ATOM 633 N ALA A 45 0.220 5.874 4.248 1.00 0.00 N ATOM 634 CA ALA A 45 -0.101 4.515 3.832 1.00 0.00 C ATOM 635 C ALA A 45 0.037 3.537 4.994 1.00 0.00 C ATOM 636 O ALA A 45 1.126 3.353 5.538 1.00 0.00 O ATOM 637 CB ALA A 45 0.792 4.092 2.675 1.00 0.00 C ATOM 0 H ALA A 45 1.036 5.947 4.856 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.139 4.499 3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.541 3.075 2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.640 4.767 1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.835 4.131 2.988 1.00 0.00 H new ATOM 643 N LYS A 46 -1.074 2.914 5.371 1.00 0.00 N ATOM 644 CA LYS A 46 -1.078 1.954 6.469 1.00 0.00 C ATOM 645 C LYS A 46 -1.974 0.762 6.146 1.00 0.00 C ATOM 646 O LYS A 46 -2.891 0.865 5.332 1.00 0.00 O ATOM 647 CB LYS A 46 -1.551 2.626 7.760 1.00 0.00 C ATOM 648 CG LYS A 46 -0.734 3.847 8.144 1.00 0.00 C ATOM 649 CD LYS A 46 0.440 3.475 9.035 1.00 0.00 C ATOM 650 CE LYS A 46 0.820 4.618 9.963 1.00 0.00 C ATOM 651 NZ LYS A 46 1.633 5.652 9.265 1.00 0.00 N ATOM 0 H LYS A 46 -1.984 3.057 4.932 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.059 1.593 6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.595 2.919 7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.510 1.901 8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.367 4.338 7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.371 4.564 8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.185 2.595 9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.297 3.207 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.084 5.076 10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.381 4.226 10.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.201 6.175 9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.264 5.192 8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.002 6.312 8.767 1.00 0.00 H new ATOM 665 N VAL A 47 -1.703 -0.368 6.792 1.00 0.00 N ATOM 666 CA VAL A 47 -2.486 -1.579 6.575 1.00 0.00 C ATOM 667 C VAL A 47 -3.385 -1.873 7.771 1.00 0.00 C ATOM 668 O VAL A 47 -2.917 -1.959 8.907 1.00 0.00 O ATOM 669 CB VAL A 47 -1.578 -2.796 6.318 1.00 0.00 C ATOM 670 CG1 VAL A 47 -0.874 -3.218 7.598 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.385 -3.948 5.739 1.00 0.00 C ATOM 0 H VAL A 47 -0.947 -0.470 7.470 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.103 -1.403 5.694 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.817 -2.513 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.237 -4.079 7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.263 -2.394 7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.616 -3.484 8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.728 -4.800 5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.169 -4.232 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.837 -3.638 4.797 1.00 0.00 H new ATOM 681 N HIS A 48 -4.679 -2.027 7.509 1.00 0.00 N ATOM 682 CA HIS A 48 -5.644 -2.313 8.564 1.00 0.00 C ATOM 683 C HIS A 48 -6.057 -3.781 8.539 1.00 0.00 C ATOM 684 O HIS A 48 -5.779 -4.498 7.577 1.00 0.00 O ATOM 685 CB HIS A 48 -6.877 -1.422 8.411 1.00 0.00 C ATOM 686 CG HIS A 48 -6.586 0.038 8.578 1.00 0.00 C ATOM 687 ND1 HIS A 48 -6.688 0.692 9.788 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.192 0.971 7.680 1.00 0.00 C ATOM 689 CE1 HIS A 48 -6.371 1.964 9.626 1.00 0.00 C ATOM 690 NE2 HIS A 48 -6.065 2.159 8.356 1.00 0.00 N ATOM 0 H HIS A 48 -5.083 -1.958 6.575 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.170 -2.103 9.523 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.314 -1.587 7.426 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.625 -1.721 9.145 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -6.965 0.261 10.670 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.011 0.811 6.627 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.363 2.717 10.400 1.00 0.00 H new ATOM 698 N SER A 49 -6.722 -4.222 9.602 1.00 0.00 N ATOM 699 CA SER A 49 -7.169 -5.607 9.704 1.00 0.00 C ATOM 700 C SER A 49 -8.602 -5.678 10.222 1.00 0.00 C ATOM 701 O SER A 49 -9.042 -4.851 11.021 1.00 0.00 O ATOM 702 CB SER A 49 -6.241 -6.398 10.627 1.00 0.00 C ATOM 703 OG SER A 49 -4.882 -6.201 10.275 1.00 0.00 O ATOM 0 H SER A 49 -6.963 -3.641 10.405 1.00 0.00 H new ATOM 0 HA SER A 49 -7.139 -6.047 8.707 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.401 -6.089 11.660 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.484 -7.459 10.570 1.00 0.00 H new ATOM 0 HG SER A 49 -4.309 -6.716 10.881 1.00 0.00 H new ATOM 709 N PRO A 50 -9.349 -6.690 9.757 1.00 0.00 N ATOM 710 CA PRO A 50 -10.743 -6.895 10.160 1.00 0.00 C ATOM 711 C PRO A 50 -10.868 -7.342 11.613 1.00 0.00 C ATOM 712 O PRO A 50 -11.972 -7.470 12.140 1.00 0.00 O ATOM 713 CB PRO A 50 -11.226 -8.001 9.218 1.00 0.00 C ATOM 714 CG PRO A 50 -9.989 -8.738 8.834 1.00 0.00 C ATOM 715 CD PRO A 50 -8.889 -7.713 8.803 1.00 0.00 C ATOM 0 HA PRO A 50 -11.325 -5.975 10.095 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.941 -8.658 9.713 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.727 -7.586 8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.767 -9.528 9.552 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.105 -9.215 7.861 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.932 -8.141 9.103 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.754 -7.299 7.804 1.00 0.00 H new ATOM 723 N SER A 51 -9.727 -7.577 12.254 1.00 0.00 N ATOM 724 CA SER A 51 -9.709 -8.012 13.646 1.00 0.00 C ATOM 725 C SER A 51 -9.644 -6.815 14.589 1.00 0.00 C ATOM 726 O SER A 51 -10.031 -6.906 15.753 1.00 0.00 O ATOM 727 CB SER A 51 -8.518 -8.939 13.897 1.00 0.00 C ATOM 728 OG SER A 51 -7.291 -8.256 13.702 1.00 0.00 O ATOM 0 H SER A 51 -8.804 -7.474 11.832 1.00 0.00 H new ATOM 0 HA SER A 51 -10.632 -8.557 13.842 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.564 -9.328 14.914 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.572 -9.796 13.225 1.00 0.00 H new ATOM 0 HG SER A 51 -6.545 -8.869 13.870 1.00 0.00 H new ATOM 734 N GLY A 52 -9.152 -5.691 14.076 1.00 0.00 N ATOM 735 CA GLY A 52 -9.044 -4.491 14.885 1.00 0.00 C ATOM 736 C GLY A 52 -7.605 -4.097 15.150 1.00 0.00 C ATOM 737 O GLY A 52 -7.298 -3.495 16.178 1.00 0.00 O ATOM 0 H GLY A 52 -8.826 -5.590 13.115 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.555 -3.670 14.382 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.555 -4.650 15.835 1.00 0.00 H new ATOM 741 N ALA A 53 -6.719 -4.439 14.219 1.00 0.00 N ATOM 742 CA ALA A 53 -5.304 -4.116 14.357 1.00 0.00 C ATOM 743 C ALA A 53 -4.865 -3.110 13.298 1.00 0.00 C ATOM 744 O ALA A 53 -5.451 -3.034 12.218 1.00 0.00 O ATOM 745 CB ALA A 53 -4.463 -5.381 14.266 1.00 0.00 C ATOM 0 H ALA A 53 -6.956 -4.939 13.362 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.154 -3.662 15.337 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.409 -5.125 14.371 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.751 -6.067 15.062 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.627 -5.858 13.300 1.00 0.00 H new ATOM 751 N VAL A 54 -3.831 -2.338 13.616 1.00 0.00 N ATOM 752 CA VAL A 54 -3.313 -1.336 12.692 1.00 0.00 C ATOM 753 C VAL A 54 -1.790 -1.375 12.636 1.00 0.00 C ATOM 754 O VAL A 54 -1.118 -1.252 13.659 1.00 0.00 O ATOM 755 CB VAL A 54 -3.764 0.082 13.090 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.185 1.115 12.136 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.283 0.167 13.123 1.00 0.00 C ATOM 0 H VAL A 54 -3.336 -2.387 14.506 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.717 -1.575 11.708 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.388 0.297 14.090 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.515 2.110 12.434 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.096 1.069 12.167 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.528 0.907 11.123 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.585 1.175 13.406 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.682 -0.068 12.136 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.672 -0.546 13.851 1.00 0.00 H new ATOM 767 N GLU A 55 -1.251 -1.549 11.432 1.00 0.00 N ATOM 768 CA GLU A 55 0.193 -1.605 11.243 1.00 0.00 C ATOM 769 C GLU A 55 0.681 -0.417 10.418 1.00 0.00 C ATOM 770 O GLU A 55 -0.119 0.369 9.912 1.00 0.00 O ATOM 771 CB GLU A 55 0.590 -2.913 10.557 1.00 0.00 C ATOM 772 CG GLU A 55 0.889 -4.043 11.528 1.00 0.00 C ATOM 773 CD GLU A 55 2.035 -3.719 12.466 1.00 0.00 C ATOM 774 OE1 GLU A 55 2.968 -3.008 12.039 1.00 0.00 O ATOM 775 OE2 GLU A 55 1.998 -4.177 13.627 1.00 0.00 O ATOM 0 H GLU A 55 -1.793 -1.653 10.574 1.00 0.00 H new ATOM 0 HA GLU A 55 0.663 -1.561 12.225 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.214 -3.222 9.889 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.469 -2.736 9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.004 -4.260 12.114 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.129 -4.946 10.966 1.00 0.00 H new ATOM 782 N GLU A 56 1.998 -0.294 10.289 1.00 0.00 N ATOM 783 CA GLU A 56 2.592 0.798 9.527 1.00 0.00 C ATOM 784 C GLU A 56 3.363 0.265 8.324 1.00 0.00 C ATOM 785 O GLU A 56 4.174 -0.654 8.450 1.00 0.00 O ATOM 786 CB GLU A 56 3.522 1.625 10.418 1.00 0.00 C ATOM 787 CG GLU A 56 3.863 2.989 9.842 1.00 0.00 C ATOM 788 CD GLU A 56 4.677 2.896 8.566 1.00 0.00 C ATOM 789 OE1 GLU A 56 5.362 1.870 8.372 1.00 0.00 O ATOM 790 OE2 GLU A 56 4.627 3.849 7.761 1.00 0.00 O ATOM 0 H GLU A 56 2.674 -0.937 10.702 1.00 0.00 H new ATOM 0 HA GLU A 56 1.785 1.436 9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.053 1.759 11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.445 1.068 10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.941 3.535 9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.420 3.563 10.583 1.00 0.00 H new ATOM 797 N CYS A 57 3.106 0.848 7.158 1.00 0.00 N ATOM 798 CA CYS A 57 3.775 0.432 5.930 1.00 0.00 C ATOM 799 C CYS A 57 4.962 1.339 5.623 1.00 0.00 C ATOM 800 O CYS A 57 4.838 2.564 5.630 1.00 0.00 O ATOM 801 CB CYS A 57 2.791 0.445 4.760 1.00 0.00 C ATOM 802 SG CYS A 57 1.258 -0.461 5.073 1.00 0.00 S ATOM 0 H CYS A 57 2.439 1.610 7.037 1.00 0.00 H new ATOM 0 HA CYS A 57 4.145 -0.583 6.073 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.546 1.479 4.517 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.280 0.019 3.884 1.00 0.00 H new ATOM 0 HG CYS A 57 0.490 -0.390 4.026 1.00 0.00 H new ATOM 808 N HIS A 58 6.112 0.729 5.356 1.00 0.00 N ATOM 809 CA HIS A 58 7.323 1.482 5.047 1.00 0.00 C ATOM 810 C HIS A 58 7.192 2.194 3.704 1.00 0.00 C ATOM 811 O HIS A 58 7.304 1.573 2.647 1.00 0.00 O ATOM 812 CB HIS A 58 8.536 0.552 5.029 1.00 0.00 C ATOM 813 CG HIS A 58 9.846 1.278 4.994 1.00 0.00 C ATOM 814 ND1 HIS A 58 10.140 2.255 4.066 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.942 1.165 5.780 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.361 2.710 4.282 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.870 2.065 5.317 1.00 0.00 N ATOM 0 H HIS A 58 6.231 -0.284 5.347 1.00 0.00 H new ATOM 0 HA HIS A 58 7.463 2.233 5.824 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.507 -0.087 5.912 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.469 -0.102 4.160 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.064 0.492 6.616 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.859 3.479 3.710 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.801 2.212 5.708 1.00 0.00 H new ATOM 825 N VAL A 59 6.954 3.501 3.753 1.00 0.00 N ATOM 826 CA VAL A 59 6.808 4.298 2.541 1.00 0.00 C ATOM 827 C VAL A 59 7.990 5.245 2.361 1.00 0.00 C ATOM 828 O VAL A 59 8.153 6.201 3.118 1.00 0.00 O ATOM 829 CB VAL A 59 5.505 5.118 2.561 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.342 5.828 3.897 1.00 0.00 C ATOM 831 CG2 VAL A 59 5.485 6.115 1.412 1.00 0.00 C ATOM 0 H VAL A 59 6.858 4.030 4.620 1.00 0.00 H new ATOM 0 HA VAL A 59 6.775 3.599 1.705 1.00 0.00 H new ATOM 0 HB VAL A 59 4.664 4.436 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.416 6.403 3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.308 5.091 4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.185 6.500 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.557 6.686 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.332 6.795 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.552 5.580 0.465 1.00 0.00 H new ATOM 841 N SER A 60 8.811 4.972 1.352 1.00 0.00 N ATOM 842 CA SER A 60 9.980 5.798 1.073 1.00 0.00 C ATOM 843 C SER A 60 9.762 6.643 -0.178 1.00 0.00 C ATOM 844 O SER A 60 9.335 6.136 -1.215 1.00 0.00 O ATOM 845 CB SER A 60 11.221 4.920 0.900 1.00 0.00 C ATOM 846 OG SER A 60 11.272 4.359 -0.401 1.00 0.00 O ATOM 0 H SER A 60 8.688 4.185 0.714 1.00 0.00 H new ATOM 0 HA SER A 60 10.132 6.467 1.920 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.118 5.513 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.213 4.123 1.643 1.00 0.00 H new ATOM 0 HG SER A 60 11.865 3.578 -0.398 1.00 0.00 H new ATOM 852 N GLU A 61 10.059 7.934 -0.071 1.00 0.00 N ATOM 853 CA GLU A 61 9.895 8.851 -1.193 1.00 0.00 C ATOM 854 C GLU A 61 11.093 8.777 -2.135 1.00 0.00 C ATOM 855 O GLU A 61 12.160 9.320 -1.845 1.00 0.00 O ATOM 856 CB GLU A 61 9.716 10.284 -0.689 1.00 0.00 C ATOM 857 CG GLU A 61 9.491 11.297 -1.799 1.00 0.00 C ATOM 858 CD GLU A 61 9.126 12.670 -1.270 1.00 0.00 C ATOM 859 OE1 GLU A 61 8.293 12.746 -0.342 1.00 0.00 O ATOM 860 OE2 GLU A 61 9.672 13.669 -1.784 1.00 0.00 O ATOM 0 H GLU A 61 10.414 8.369 0.781 1.00 0.00 H new ATOM 0 HA GLU A 61 9.002 8.554 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.870 10.316 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.599 10.573 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.394 11.373 -2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.696 10.941 -2.455 1.00 0.00 H new ATOM 867 N LEU A 62 10.910 8.102 -3.265 1.00 0.00 N ATOM 868 CA LEU A 62 11.975 7.956 -4.250 1.00 0.00 C ATOM 869 C LEU A 62 11.845 9.003 -5.352 1.00 0.00 C ATOM 870 O LEU A 62 12.834 9.605 -5.769 1.00 0.00 O ATOM 871 CB LEU A 62 11.946 6.553 -4.859 1.00 0.00 C ATOM 872 CG LEU A 62 11.758 5.399 -3.874 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.514 4.096 -4.619 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.970 5.274 -2.961 1.00 0.00 C ATOM 0 H LEU A 62 10.034 7.647 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 62 12.928 8.105 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.141 6.513 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.879 6.394 -5.401 1.00 0.00 H new ATOM 0 HG LEU A 62 10.884 5.611 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.382 3.286 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.616 4.189 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.368 3.878 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.819 4.448 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.860 5.085 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.100 6.200 -2.400 1.00 0.00 H new ATOM 886 N GLU A 63 10.618 9.216 -5.817 1.00 0.00 N ATOM 887 CA GLU A 63 10.359 10.192 -6.869 1.00 0.00 C ATOM 888 C GLU A 63 9.229 11.137 -6.469 1.00 0.00 C ATOM 889 O GLU A 63 8.321 10.777 -5.720 1.00 0.00 O ATOM 890 CB GLU A 63 10.005 9.482 -8.178 1.00 0.00 C ATOM 891 CG GLU A 63 10.696 8.140 -8.348 1.00 0.00 C ATOM 892 CD GLU A 63 12.155 8.280 -8.735 1.00 0.00 C ATOM 893 OE1 GLU A 63 12.482 9.222 -9.487 1.00 0.00 O ATOM 894 OE2 GLU A 63 12.970 7.447 -8.286 1.00 0.00 O ATOM 0 H GLU A 63 9.788 8.726 -5.482 1.00 0.00 H new ATOM 0 HA GLU A 63 11.266 10.779 -7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.926 9.334 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.272 10.127 -9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.623 7.578 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.175 7.562 -9.111 1.00 0.00 H new ATOM 901 N PRO A 64 9.286 12.376 -6.979 1.00 0.00 N ATOM 902 CA PRO A 64 8.277 13.399 -6.689 1.00 0.00 C ATOM 903 C PRO A 64 6.933 13.087 -7.339 1.00 0.00 C ATOM 904 O PRO A 64 5.939 13.768 -7.087 1.00 0.00 O ATOM 905 CB PRO A 64 8.879 14.671 -7.290 1.00 0.00 C ATOM 906 CG PRO A 64 9.793 14.188 -8.362 1.00 0.00 C ATOM 907 CD PRO A 64 10.340 12.874 -7.879 1.00 0.00 C ATOM 0 HA PRO A 64 8.067 13.474 -5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.104 15.323 -7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.420 15.246 -6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.259 14.066 -9.304 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.596 14.903 -8.541 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.521 12.186 -8.705 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.288 13.001 -7.356 1.00 0.00 H new ATOM 915 N ASP A 65 6.910 12.055 -8.174 1.00 0.00 N ATOM 916 CA ASP A 65 5.687 11.652 -8.859 1.00 0.00 C ATOM 917 C ASP A 65 5.394 10.174 -8.623 1.00 0.00 C ATOM 918 O ASP A 65 4.373 9.653 -9.073 1.00 0.00 O ATOM 919 CB ASP A 65 5.802 11.929 -10.359 1.00 0.00 C ATOM 920 CG ASP A 65 6.777 10.995 -11.047 1.00 0.00 C ATOM 921 OD1 ASP A 65 6.454 9.796 -11.184 1.00 0.00 O ATOM 922 OD2 ASP A 65 7.864 11.461 -11.448 1.00 0.00 O ATOM 0 H ASP A 65 7.725 11.482 -8.393 1.00 0.00 H new ATOM 0 HA ASP A 65 4.862 12.237 -8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.820 11.828 -10.820 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.122 12.960 -10.512 1.00 0.00 H new ATOM 927 N LYS A 66 6.296 9.502 -7.916 1.00 0.00 N ATOM 928 CA LYS A 66 6.135 8.084 -7.619 1.00 0.00 C ATOM 929 C LYS A 66 6.638 7.761 -6.216 1.00 0.00 C ATOM 930 O LYS A 66 7.615 8.345 -5.746 1.00 0.00 O ATOM 931 CB LYS A 66 6.888 7.238 -8.649 1.00 0.00 C ATOM 932 CG LYS A 66 6.364 5.817 -8.768 1.00 0.00 C ATOM 933 CD LYS A 66 7.027 5.073 -9.916 1.00 0.00 C ATOM 934 CE LYS A 66 6.830 3.570 -9.793 1.00 0.00 C ATOM 935 NZ LYS A 66 7.771 2.815 -10.666 1.00 0.00 N ATOM 0 H LYS A 66 7.147 9.917 -7.538 1.00 0.00 H new ATOM 0 HA LYS A 66 5.072 7.846 -7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.823 7.723 -9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.943 7.206 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.543 5.283 -7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.285 5.838 -8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.613 5.419 -10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.093 5.301 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.975 3.268 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.804 3.315 -10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.605 1.794 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.615 3.084 -11.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.750 3.039 -10.396 1.00 0.00 H new ATOM 949 N TYR A 67 5.966 6.827 -5.552 1.00 0.00 N ATOM 950 CA TYR A 67 6.345 6.427 -4.202 1.00 0.00 C ATOM 951 C TYR A 67 6.376 4.908 -4.072 1.00 0.00 C ATOM 952 O TYR A 67 5.826 4.191 -4.907 1.00 0.00 O ATOM 953 CB TYR A 67 5.371 7.017 -3.181 1.00 0.00 C ATOM 954 CG TYR A 67 5.605 8.484 -2.898 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.412 9.441 -3.887 1.00 0.00 C ATOM 956 CD2 TYR A 67 6.019 8.913 -1.643 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.625 10.783 -3.634 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.233 10.252 -1.381 1.00 0.00 C ATOM 959 CZ TYR A 67 6.035 11.183 -2.379 1.00 0.00 C ATOM 960 OH TYR A 67 6.249 12.518 -2.122 1.00 0.00 O ATOM 0 H TYR A 67 5.156 6.333 -5.927 1.00 0.00 H new ATOM 0 HA TYR A 67 7.346 6.811 -4.004 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.352 6.884 -3.544 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.453 6.458 -2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.090 9.131 -4.870 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.176 8.187 -0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.471 11.514 -4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.554 10.568 -0.399 1.00 0.00 H new ATOM 0 HH TYR A 67 6.683 12.618 -1.249 1.00 0.00 H new ATOM 970 N ALA A 68 7.024 4.423 -3.018 1.00 0.00 N ATOM 971 CA ALA A 68 7.126 2.990 -2.776 1.00 0.00 C ATOM 972 C ALA A 68 6.726 2.645 -1.345 1.00 0.00 C ATOM 973 O ALA A 68 7.332 3.124 -0.387 1.00 0.00 O ATOM 974 CB ALA A 68 8.540 2.505 -3.061 1.00 0.00 C ATOM 0 H ALA A 68 7.487 5.003 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 68 6.437 2.483 -3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.601 1.433 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.792 2.708 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.242 3.026 -2.410 1.00 0.00 H new ATOM 980 N VAL A 69 5.700 1.810 -1.207 1.00 0.00 N ATOM 981 CA VAL A 69 5.219 1.401 0.107 1.00 0.00 C ATOM 982 C VAL A 69 5.342 -0.108 0.291 1.00 0.00 C ATOM 983 O VAL A 69 4.639 -0.882 -0.358 1.00 0.00 O ATOM 984 CB VAL A 69 3.751 1.815 0.321 1.00 0.00 C ATOM 985 CG1 VAL A 69 3.265 1.370 1.692 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.592 3.319 0.152 1.00 0.00 C ATOM 0 H VAL A 69 5.186 1.404 -1.989 1.00 0.00 H new ATOM 0 HA VAL A 69 5.842 1.907 0.844 1.00 0.00 H new ATOM 0 HB VAL A 69 3.138 1.321 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.226 1.671 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.341 0.286 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.879 1.834 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.549 3.594 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.215 3.835 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.898 3.606 -0.854 1.00 0.00 H new ATOM 996 N ARG A 70 6.240 -0.518 1.182 1.00 0.00 N ATOM 997 CA ARG A 70 6.456 -1.934 1.452 1.00 0.00 C ATOM 998 C ARG A 70 5.647 -2.386 2.664 1.00 0.00 C ATOM 999 O ARG A 70 5.603 -1.699 3.685 1.00 0.00 O ATOM 1000 CB ARG A 70 7.942 -2.210 1.685 1.00 0.00 C ATOM 1001 CG ARG A 70 8.349 -3.645 1.392 1.00 0.00 C ATOM 1002 CD ARG A 70 9.656 -4.005 2.080 1.00 0.00 C ATOM 1003 NE ARG A 70 10.702 -3.021 1.817 1.00 0.00 N ATOM 1004 CZ ARG A 70 11.946 -3.130 2.272 1.00 0.00 C ATOM 1005 NH1 ARG A 70 12.296 -4.176 3.008 1.00 0.00 N ATOM 1006 NH2 ARG A 70 12.842 -2.193 1.990 1.00 0.00 N ATOM 0 H ARG A 70 6.829 0.110 1.728 1.00 0.00 H new ATOM 0 HA ARG A 70 6.121 -2.499 0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.530 -1.539 1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.188 -1.976 2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.563 -4.322 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.453 -3.782 0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.491 -4.080 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.987 -4.986 1.739 1.00 0.00 H new ATOM 0 HE ARG A 70 10.465 -2.205 1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.610 -4.899 3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.251 -4.258 3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.577 -1.388 1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.796 -2.278 2.340 1.00 0.00 H new ATOM 1020 N PHE A 71 5.008 -3.545 2.545 1.00 0.00 N ATOM 1021 CA PHE A 71 4.199 -4.087 3.630 1.00 0.00 C ATOM 1022 C PHE A 71 3.987 -5.588 3.453 1.00 0.00 C ATOM 1023 O PHE A 71 3.865 -6.080 2.330 1.00 0.00 O ATOM 1024 CB PHE A 71 2.847 -3.374 3.693 1.00 0.00 C ATOM 1025 CG PHE A 71 1.830 -3.932 2.740 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.014 -4.987 3.116 1.00 0.00 C ATOM 1027 CD2 PHE A 71 1.688 -3.402 1.468 1.00 0.00 C ATOM 1028 CE1 PHE A 71 0.078 -5.503 2.240 1.00 0.00 C ATOM 1029 CE2 PHE A 71 0.753 -3.913 0.588 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.054 -4.965 0.975 1.00 0.00 C ATOM 0 H PHE A 71 5.035 -4.127 1.708 1.00 0.00 H new ATOM 0 HA PHE A 71 4.733 -3.921 4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.457 -3.441 4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.993 -2.316 3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.111 -5.411 4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.316 -2.579 1.160 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.550 -6.327 2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.653 -3.490 -0.401 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.786 -5.366 0.290 1.00 0.00 H new ATOM 1040 N ILE A 72 3.945 -6.309 4.568 1.00 0.00 N ATOM 1041 CA ILE A 72 3.748 -7.753 4.536 1.00 0.00 C ATOM 1042 C ILE A 72 2.274 -8.110 4.697 1.00 0.00 C ATOM 1043 O ILE A 72 1.704 -8.024 5.785 1.00 0.00 O ATOM 1044 CB ILE A 72 4.558 -8.457 5.640 1.00 0.00 C ATOM 1045 CG1 ILE A 72 6.058 -8.317 5.370 1.00 0.00 C ATOM 1046 CG2 ILE A 72 4.166 -9.924 5.732 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.910 -8.444 6.613 1.00 0.00 C ATOM 0 H ILE A 72 4.045 -5.917 5.504 1.00 0.00 H new ATOM 0 HA ILE A 72 4.099 -8.098 3.563 1.00 0.00 H new ATOM 0 HB ILE A 72 4.333 -7.981 6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.362 -9.078 4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.247 -7.348 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.748 -10.407 6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.104 -10.003 5.966 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.365 -10.414 4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.961 -8.334 6.346 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.633 -7.666 7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.750 -9.423 7.065 1.00 0.00 H new ATOM 1059 N PRO A 73 1.641 -8.523 3.589 1.00 0.00 N ATOM 1060 CA PRO A 73 0.225 -8.904 3.581 1.00 0.00 C ATOM 1061 C PRO A 73 -0.028 -10.208 4.330 1.00 0.00 C ATOM 1062 O PRO A 73 -0.103 -11.278 3.725 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.089 -9.072 2.093 1.00 0.00 C ATOM 1064 CG PRO A 73 1.222 -9.395 1.463 1.00 0.00 C ATOM 1065 CD PRO A 73 2.258 -8.650 2.258 1.00 0.00 C ATOM 0 HA PRO A 73 -0.399 -8.163 4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.814 -9.869 1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.516 -8.161 1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.411 -10.468 1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.238 -9.089 0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.200 -9.197 2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.475 -7.675 1.821 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.159 -10.112 5.649 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.404 -11.286 6.480 1.00 0.00 C ATOM 1075 C HIS A 74 -1.674 -11.109 7.307 1.00 0.00 C ATOM 1076 O HIS A 74 -1.686 -10.373 8.293 1.00 0.00 O ATOM 1077 CB HIS A 74 0.787 -11.542 7.403 1.00 0.00 C ATOM 1078 CG HIS A 74 0.979 -10.482 8.443 1.00 0.00 C ATOM 1079 ND1 HIS A 74 1.619 -9.287 8.191 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.608 -10.441 9.744 1.00 0.00 C ATOM 1081 CE1 HIS A 74 1.635 -8.558 9.293 1.00 0.00 C ATOM 1082 NE2 HIS A 74 1.027 -9.235 10.250 1.00 0.00 N ATOM 0 H HIS A 74 -0.100 -9.234 6.165 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.535 -12.145 5.822 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.652 -12.504 7.897 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.693 -11.617 6.801 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.018 -9.009 7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.080 -11.213 10.284 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.071 -7.575 9.394 1.00 0.00 H new ATOM 1090 N GLU A 75 -2.741 -11.788 6.898 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.016 -11.704 7.601 1.00 0.00 C ATOM 1092 C GLU A 75 -4.756 -13.037 7.546 1.00 0.00 C ATOM 1093 O GLU A 75 -4.300 -13.987 6.912 1.00 0.00 O ATOM 1094 CB GLU A 75 -4.885 -10.600 6.996 1.00 0.00 C ATOM 1095 CG GLU A 75 -4.663 -9.236 7.627 1.00 0.00 C ATOM 1096 CD GLU A 75 -5.700 -8.217 7.196 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -6.862 -8.615 6.966 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -5.351 -7.023 7.087 1.00 0.00 O ATOM 0 H GLU A 75 -2.748 -12.402 6.084 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.812 -11.465 8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.682 -10.534 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.934 -10.875 7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.685 -9.334 8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.670 -8.874 7.360 1.00 0.00 H new ATOM 1105 N ASN A 76 -5.902 -13.099 8.217 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.706 -14.315 8.246 1.00 0.00 C ATOM 1107 C ASN A 76 -7.808 -14.264 7.192 1.00 0.00 C ATOM 1108 O ASN A 76 -8.539 -15.234 6.996 1.00 0.00 O ATOM 1109 CB ASN A 76 -7.321 -14.512 9.633 1.00 0.00 C ATOM 1110 CG ASN A 76 -8.680 -13.852 9.763 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -9.709 -14.465 9.479 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -8.689 -12.596 10.193 1.00 0.00 N ATOM 0 H ASN A 76 -6.294 -12.321 8.748 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.052 -15.158 8.022 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.417 -15.579 9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.648 -14.103 10.387 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.574 -12.100 10.300 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.811 -12.127 10.417 1.00 0.00 H new ATOM 1119 N GLY A 77 -7.920 -13.125 6.516 1.00 0.00 N ATOM 1120 CA GLY A 77 -8.935 -12.968 5.490 1.00 0.00 C ATOM 1121 C GLY A 77 -8.705 -11.742 4.629 1.00 0.00 C ATOM 1122 O GLY A 77 -7.572 -11.444 4.250 1.00 0.00 O ATOM 0 H GLY A 77 -7.326 -12.308 6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.948 -13.855 4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.916 -12.899 5.961 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.782 -11.029 4.318 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.693 -9.828 3.496 1.00 0.00 C ATOM 1128 C VAL A 78 -8.947 -8.716 4.226 1.00 0.00 C ATOM 1129 O VAL A 78 -9.106 -8.537 5.434 1.00 0.00 O ATOM 1130 CB VAL A 78 -11.090 -9.316 3.095 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.974 -8.083 2.213 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.877 -10.413 2.393 1.00 0.00 C ATOM 0 H VAL A 78 -10.727 -11.262 4.623 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.142 -10.102 2.596 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.629 -9.035 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.971 -7.736 1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.451 -7.295 2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.417 -8.333 1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.861 -10.035 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.343 -10.726 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.991 -11.265 3.063 1.00 0.00 H new ATOM 1142 N HIS A 79 -8.133 -7.971 3.485 1.00 0.00 N ATOM 1143 CA HIS A 79 -7.362 -6.875 4.061 1.00 0.00 C ATOM 1144 C HIS A 79 -7.995 -5.529 3.721 1.00 0.00 C ATOM 1145 O HIS A 79 -8.750 -5.412 2.756 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.920 -6.917 3.556 1.00 0.00 C ATOM 1147 CG HIS A 79 -5.389 -8.305 3.374 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -4.297 -8.790 4.063 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.807 -9.316 2.576 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -4.066 -10.037 3.695 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.968 -10.381 2.794 1.00 0.00 N ATOM 0 H HIS A 79 -7.990 -8.106 2.484 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.362 -6.993 5.145 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.861 -6.387 2.605 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.282 -6.382 4.259 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.753 -8.267 4.749 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.645 -9.290 1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.273 -10.669 4.068 1.00 0.00 H new ATOM 1159 N THR A 80 -7.681 -4.515 4.521 1.00 0.00 N ATOM 1160 CA THR A 80 -8.220 -3.177 4.307 1.00 0.00 C ATOM 1161 C THR A 80 -7.111 -2.131 4.308 1.00 0.00 C ATOM 1162 O THR A 80 -6.562 -1.797 5.359 1.00 0.00 O ATOM 1163 CB THR A 80 -9.258 -2.810 5.384 1.00 0.00 C ATOM 1164 OG1 THR A 80 -10.262 -3.828 5.463 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.910 -1.471 5.073 1.00 0.00 C ATOM 0 H THR A 80 -7.056 -4.595 5.323 1.00 0.00 H new ATOM 0 HA THR A 80 -8.707 -3.185 3.332 1.00 0.00 H new ATOM 0 HB THR A 80 -8.744 -2.732 6.342 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.917 -3.588 6.151 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.639 -1.233 5.847 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.147 -0.693 5.042 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.412 -1.526 4.107 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.786 -1.618 3.127 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.743 -0.609 2.993 1.00 0.00 C ATOM 1175 C ILE A 81 -6.289 0.786 3.279 1.00 0.00 C ATOM 1176 O ILE A 81 -7.456 1.074 3.013 1.00 0.00 O ATOM 1177 CB ILE A 81 -5.120 -0.625 1.585 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.531 -2.004 1.280 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -4.051 0.451 1.466 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -4.450 -2.313 -0.198 1.00 0.00 C ATOM 0 H ILE A 81 -7.230 -1.885 2.248 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.972 -0.853 3.724 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.902 -0.415 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.532 -2.067 1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.138 -2.766 1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.620 0.427 0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.498 1.429 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.268 0.269 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.023 -3.306 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.450 -2.283 -0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.819 -1.573 -0.690 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.437 1.649 3.822 1.00 0.00 N ATOM 1193 CA ASP A 82 -5.832 3.016 4.141 1.00 0.00 C ATOM 1194 C ASP A 82 -4.842 4.019 3.557 1.00 0.00 C ATOM 1195 O ASP A 82 -3.694 4.099 3.993 1.00 0.00 O ATOM 1196 CB ASP A 82 -5.930 3.200 5.657 1.00 0.00 C ATOM 1197 CG ASP A 82 -5.861 4.658 6.068 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -6.478 5.498 5.380 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -5.190 4.959 7.078 1.00 0.00 O ATOM 0 H ASP A 82 -4.468 1.426 4.050 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.810 3.199 3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.866 2.769 6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.122 2.651 6.140 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.295 4.782 2.567 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.450 5.780 1.923 1.00 0.00 C ATOM 1206 C VAL A 83 -5.009 7.184 2.121 1.00 0.00 C ATOM 1207 O VAL A 83 -5.947 7.594 1.438 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.307 5.504 0.414 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.503 6.608 -0.256 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.663 4.146 0.180 1.00 0.00 C ATOM 0 H VAL A 83 -6.243 4.728 2.194 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.468 5.714 2.392 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.302 5.490 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.412 6.397 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.010 7.563 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.510 6.657 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.570 3.967 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.674 4.128 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.283 3.368 0.625 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.425 7.919 3.062 1.00 0.00 N ATOM 1221 CA LYS A 84 -4.863 9.280 3.351 1.00 0.00 C ATOM 1222 C LYS A 84 -3.953 10.299 2.672 1.00 0.00 C ATOM 1223 O LYS A 84 -2.738 10.114 2.604 1.00 0.00 O ATOM 1224 CB LYS A 84 -4.879 9.522 4.862 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.193 9.145 5.523 1.00 0.00 C ATOM 1226 CD LYS A 84 -6.360 9.836 6.867 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.247 9.030 7.802 1.00 0.00 C ATOM 1228 NZ LYS A 84 -7.343 9.654 9.151 1.00 0.00 N ATOM 0 H LYS A 84 -3.647 7.595 3.637 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.873 9.402 2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.073 8.950 5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.673 10.575 5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.021 9.416 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.235 8.065 5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.382 9.981 7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.792 10.826 6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.244 8.942 7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.851 8.019 7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.956 9.074 9.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.395 9.715 9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.745 10.609 9.064 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.550 11.376 2.171 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.793 12.426 1.498 1.00 0.00 C ATOM 1244 C PHE A 85 -4.205 13.804 2.005 1.00 0.00 C ATOM 1245 O PHE A 85 -5.128 14.422 1.475 1.00 0.00 O ATOM 1246 CB PHE A 85 -4.001 12.343 -0.016 1.00 0.00 C ATOM 1247 CG PHE A 85 -3.075 13.229 -0.798 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -1.737 12.898 -0.944 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -3.541 14.393 -1.387 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -0.882 13.712 -1.662 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -2.690 15.211 -2.107 1.00 0.00 C ATOM 1252 CZ PHE A 85 -1.359 14.869 -2.246 1.00 0.00 C ATOM 0 H PHE A 85 -5.555 11.545 2.218 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.736 12.278 1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.861 11.311 -0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.031 12.613 -0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.358 11.993 -0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.581 14.665 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.159 13.444 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.066 16.116 -2.560 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.693 15.505 -2.810 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.515 14.280 3.036 1.00 0.00 N ATOM 1263 CA ASN A 86 -3.809 15.585 3.617 1.00 0.00 C ATOM 1264 C ASN A 86 -5.127 15.554 4.385 1.00 0.00 C ATOM 1265 O ASN A 86 -5.885 16.522 4.378 1.00 0.00 O ATOM 1266 CB ASN A 86 -3.871 16.652 2.521 1.00 0.00 C ATOM 1267 CG ASN A 86 -3.504 18.031 3.035 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -4.271 18.656 3.767 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -2.326 18.510 2.654 1.00 0.00 N ATOM 0 H ASN A 86 -2.748 13.781 3.487 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.008 15.834 4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.195 16.377 1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.876 16.680 2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.024 19.432 2.969 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.723 17.956 2.046 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.391 14.433 5.050 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.617 14.296 5.815 1.00 0.00 C ATOM 1278 C GLY A 87 -7.820 14.017 4.937 1.00 0.00 C ATOM 1279 O GLY A 87 -8.843 14.694 5.041 1.00 0.00 O ATOM 0 H GLY A 87 -4.778 13.618 5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.503 13.487 6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.790 15.209 6.384 1.00 0.00 H new ATOM 1283 N SER A 88 -7.699 13.019 4.068 1.00 0.00 N ATOM 1284 CA SER A 88 -8.783 12.655 3.164 1.00 0.00 C ATOM 1285 C SER A 88 -8.457 11.368 2.414 1.00 0.00 C ATOM 1286 O SER A 88 -7.452 11.285 1.708 1.00 0.00 O ATOM 1287 CB SER A 88 -9.046 13.787 2.169 1.00 0.00 C ATOM 1288 OG SER A 88 -10.007 13.401 1.201 1.00 0.00 O ATOM 0 H SER A 88 -6.860 12.447 3.971 1.00 0.00 H new ATOM 0 HA SER A 88 -9.680 12.489 3.760 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.397 14.670 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.116 14.063 1.673 1.00 0.00 H new ATOM 0 HG SER A 88 -10.159 14.142 0.578 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.315 10.364 2.572 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.119 9.080 1.909 1.00 0.00 C ATOM 1296 C HIS A 89 -9.315 9.211 0.402 1.00 0.00 C ATOM 1297 O HIS A 89 -10.403 9.543 -0.067 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.087 8.039 2.472 1.00 0.00 C ATOM 1299 CG HIS A 89 -9.721 7.560 3.843 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.750 6.231 4.209 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -9.315 8.242 4.940 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.378 6.116 5.471 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.109 7.322 5.938 1.00 0.00 N ATOM 0 H HIS A 89 -10.152 10.415 3.153 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.096 8.754 2.098 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.090 8.465 2.501 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.123 7.185 1.795 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -10.017 5.457 3.600 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.179 9.311 5.016 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.306 5.193 6.027 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.252 8.948 -0.353 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.307 9.036 -1.807 1.00 0.00 C ATOM 1313 C VAL A 90 -9.480 8.236 -2.363 1.00 0.00 C ATOM 1314 O VAL A 90 -10.267 7.663 -1.609 1.00 0.00 O ATOM 1315 CB VAL A 90 -7.003 8.527 -2.450 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.817 9.352 -1.976 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.796 7.053 -2.139 1.00 0.00 C ATOM 0 H VAL A 90 -7.343 8.672 0.019 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.439 10.089 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.084 8.639 -3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.905 8.978 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.965 10.395 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.730 9.275 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.870 6.710 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.736 6.914 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.633 6.477 -2.533 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.591 8.201 -3.687 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.668 7.469 -4.344 1.00 0.00 C ATOM 1329 C VAL A 91 -10.474 5.964 -4.205 1.00 0.00 C ATOM 1330 O VAL A 91 -9.351 5.464 -4.251 1.00 0.00 O ATOM 1331 CB VAL A 91 -10.758 7.828 -5.840 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -10.746 9.337 -6.029 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -9.622 7.176 -6.613 1.00 0.00 C ATOM 0 H VAL A 91 -8.949 8.671 -4.326 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.596 7.760 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.700 7.445 -6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.810 9.571 -7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.597 9.776 -5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.822 9.747 -5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.701 7.440 -7.668 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.667 7.527 -6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.683 6.093 -6.505 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.579 5.244 -4.034 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.510 3.801 -3.890 1.00 0.00 C ATOM 1345 C GLY A 92 -10.824 3.378 -2.606 1.00 0.00 C ATOM 1346 O GLY A 92 -10.191 2.324 -2.551 1.00 0.00 O ATOM 0 H GLY A 92 -12.521 5.634 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.519 3.388 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.974 3.379 -4.740 1.00 0.00 H new ATOM 1350 N SER A 93 -10.949 4.203 -1.571 1.00 0.00 N ATOM 1351 CA SER A 93 -10.331 3.912 -0.283 1.00 0.00 C ATOM 1352 C SER A 93 -11.373 3.912 0.831 1.00 0.00 C ATOM 1353 O SER A 93 -12.311 4.709 0.839 1.00 0.00 O ATOM 1354 CB SER A 93 -9.238 4.937 0.026 1.00 0.00 C ATOM 1355 OG SER A 93 -8.643 4.684 1.287 1.00 0.00 O ATOM 0 H SER A 93 -11.473 5.078 -1.600 1.00 0.00 H new ATOM 0 HA SER A 93 -9.883 2.920 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.475 4.906 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.663 5.941 0.016 1.00 0.00 H new ATOM 0 HG SER A 93 -8.064 5.436 1.532 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.205 2.996 1.797 1.00 0.00 N ATOM 1362 CA PRO A 94 -10.092 2.041 1.798 1.00 0.00 C ATOM 1363 C PRO A 94 -10.223 0.997 0.694 1.00 0.00 C ATOM 1364 O PRO A 94 -11.313 0.766 0.170 1.00 0.00 O ATOM 1365 CB PRO A 94 -10.194 1.379 3.174 1.00 0.00 C ATOM 1366 CG PRO A 94 -11.627 1.519 3.557 1.00 0.00 C ATOM 1367 CD PRO A 94 -12.090 2.820 2.961 1.00 0.00 C ATOM 0 HA PRO A 94 -9.135 2.530 1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.896 0.331 3.132 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.541 1.867 3.898 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.216 0.684 3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.743 1.523 4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.138 2.776 2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.992 3.643 3.668 1.00 0.00 H new ATOM 1375 N PHE A 95 -9.105 0.369 0.345 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.095 -0.650 -0.698 1.00 0.00 C ATOM 1377 C PHE A 95 -9.218 -2.046 -0.094 1.00 0.00 C ATOM 1378 O PHE A 95 -8.588 -2.356 0.917 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.811 -0.551 -1.525 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.710 0.715 -2.326 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -8.215 0.778 -3.614 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -7.111 1.844 -1.790 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -8.123 1.942 -4.354 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -7.016 3.011 -2.524 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.524 3.060 -3.807 1.00 0.00 C ATOM 0 H PHE A 95 -8.195 0.548 0.769 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.952 -0.477 -1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.952 -0.618 -0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.757 -1.404 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.686 -0.093 -4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.714 1.811 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.519 1.977 -5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.545 3.883 -2.095 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.453 3.971 -4.382 1.00 0.00 H new ATOM 1395 N LYS A 96 -10.034 -2.886 -0.723 1.00 0.00 N ATOM 1396 CA LYS A 96 -10.241 -4.250 -0.250 1.00 0.00 C ATOM 1397 C LYS A 96 -9.516 -5.251 -1.144 1.00 0.00 C ATOM 1398 O LYS A 96 -9.576 -5.161 -2.371 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.735 -4.576 -0.209 1.00 0.00 C ATOM 1400 CG LYS A 96 -12.388 -4.612 -1.580 1.00 0.00 C ATOM 1401 CD LYS A 96 -12.329 -6.003 -2.188 1.00 0.00 C ATOM 1402 CE LYS A 96 -13.426 -6.901 -1.636 1.00 0.00 C ATOM 1403 NZ LYS A 96 -14.726 -6.678 -2.328 1.00 0.00 N ATOM 0 H LYS A 96 -10.563 -2.646 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.831 -4.325 0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.874 -5.542 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.243 -3.834 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.427 -4.293 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.889 -3.903 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.427 -5.932 -3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.356 -6.449 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.131 -7.944 -1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.546 -6.714 -0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.447 -7.308 -1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.021 -5.689 -2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.619 -6.881 -3.342 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.833 -6.207 -0.523 1.00 0.00 N ATOM 1418 CA VAL A 97 -8.099 -7.227 -1.262 1.00 0.00 C ATOM 1419 C VAL A 97 -8.086 -8.551 -0.507 1.00 0.00 C ATOM 1420 O VAL A 97 -8.440 -8.609 0.671 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.647 -6.788 -1.532 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -6.619 -5.476 -2.301 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.876 -6.668 -0.227 1.00 0.00 C ATOM 0 H VAL A 97 -8.773 -6.296 0.491 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.614 -7.360 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.164 -7.549 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.585 -5.182 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.133 -5.602 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.119 -4.702 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.852 -6.357 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.356 -5.928 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.866 -7.633 0.280 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.675 -9.613 -1.192 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.617 -10.937 -0.586 1.00 0.00 C ATOM 1435 C ARG A 98 -6.260 -11.590 -0.835 1.00 0.00 C ATOM 1436 O ARG A 98 -5.692 -11.472 -1.920 1.00 0.00 O ATOM 1437 CB ARG A 98 -8.731 -11.826 -1.143 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.193 -12.902 -0.175 1.00 0.00 C ATOM 1439 CD ARG A 98 -10.033 -13.959 -0.875 1.00 0.00 C ATOM 1440 NE ARG A 98 -10.523 -14.973 0.054 1.00 0.00 N ATOM 1441 CZ ARG A 98 -9.748 -15.899 0.608 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -8.453 -15.939 0.327 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -10.269 -16.788 1.444 1.00 0.00 N ATOM 0 H ARG A 98 -7.377 -9.582 -2.167 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.755 -10.823 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.583 -11.201 -1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.381 -12.300 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.326 -13.373 0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.774 -12.446 0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.879 -13.481 -1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.438 -14.438 -1.653 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.515 -14.970 0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.049 -15.258 -0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.860 -16.651 0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.265 -16.761 1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.673 -17.499 1.869 1.00 0.00 H new ATOM 1457 N VAL A 99 -5.745 -12.277 0.180 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.456 -12.949 0.072 1.00 0.00 C ATOM 1459 C VAL A 99 -4.632 -14.435 -0.215 1.00 0.00 C ATOM 1460 O VAL A 99 -5.503 -15.090 0.357 1.00 0.00 O ATOM 1461 CB VAL A 99 -3.626 -12.780 1.359 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.326 -13.442 2.536 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.229 -13.351 1.170 1.00 0.00 C ATOM 0 H VAL A 99 -6.201 -12.383 1.086 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.925 -12.483 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.533 -11.715 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.725 -13.313 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.304 -12.983 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.451 -14.506 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.656 -13.223 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.299 -14.412 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.729 -12.827 0.355 1.00 0.00 H new ATOM 1473 N GLY A 100 -3.799 -14.964 -1.105 1.00 0.00 N ATOM 1474 CA GLY A 100 -3.879 -16.371 -1.453 1.00 0.00 C ATOM 1475 C GLY A 100 -3.570 -16.626 -2.915 1.00 0.00 C ATOM 1476 O GLY A 100 -3.963 -15.847 -3.783 1.00 0.00 O ATOM 0 H GLY A 100 -3.069 -14.443 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.182 -16.935 -0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.879 -16.742 -1.226 1.00 0.00 H new ATOM 1480 N GLU A 101 -2.863 -17.718 -3.187 1.00 0.00 N ATOM 1481 CA GLU A 101 -2.500 -18.070 -4.555 1.00 0.00 C ATOM 1482 C GLU A 101 -3.523 -19.028 -5.160 1.00 0.00 C ATOM 1483 O GLU A 101 -4.081 -19.890 -4.480 1.00 0.00 O ATOM 1484 CB GLU A 101 -1.108 -18.705 -4.589 1.00 0.00 C ATOM 1485 CG GLU A 101 -0.033 -17.849 -3.942 1.00 0.00 C ATOM 1486 CD GLU A 101 1.364 -18.220 -4.402 1.00 0.00 C ATOM 1487 OE1 GLU A 101 1.684 -17.975 -5.584 1.00 0.00 O ATOM 1488 OE2 GLU A 101 2.136 -18.754 -3.579 1.00 0.00 O ATOM 0 H GLU A 101 -2.531 -18.373 -2.480 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.489 -17.155 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.146 -19.670 -4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.831 -18.899 -5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.221 -16.800 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.094 -17.953 -2.859 1.00 0.00 H new ATOM 1495 N PRO A 102 -3.776 -18.874 -6.468 1.00 0.00 N ATOM 1496 CA PRO A 102 -4.732 -19.715 -7.194 1.00 0.00 C ATOM 1497 C PRO A 102 -4.236 -21.148 -7.358 1.00 0.00 C ATOM 1498 O PRO A 102 -5.010 -22.051 -7.670 1.00 0.00 O ATOM 1499 CB PRO A 102 -4.845 -19.029 -8.557 1.00 0.00 C ATOM 1500 CG PRO A 102 -3.557 -18.297 -8.721 1.00 0.00 C ATOM 1501 CD PRO A 102 -3.147 -17.867 -7.339 1.00 0.00 C ATOM 0 HA PRO A 102 -5.681 -19.802 -6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.991 -19.757 -9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.695 -18.347 -8.588 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.799 -18.937 -9.172 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.678 -17.436 -9.378 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.063 -17.859 -7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.499 -16.861 -7.110 1.00 0.00 H new ATOM 1509 N GLY A 103 -2.939 -21.348 -7.145 1.00 0.00 N ATOM 1510 CA GLY A 103 -2.362 -22.674 -7.274 1.00 0.00 C ATOM 1511 C GLY A 103 -1.359 -22.762 -8.407 1.00 0.00 C ATOM 1512 O GLY A 103 -1.068 -21.763 -9.065 1.00 0.00 O ATOM 0 H GLY A 103 -2.278 -20.616 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.874 -22.947 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.159 -23.399 -7.441 1.00 0.00 H new ATOM 1516 N GLN A 104 -0.828 -23.959 -8.634 1.00 0.00 N ATOM 1517 CA GLN A 104 0.150 -24.172 -9.694 1.00 0.00 C ATOM 1518 C GLN A 104 -0.533 -24.261 -11.055 1.00 0.00 C ATOM 1519 O GLN A 104 -1.262 -25.213 -11.334 1.00 0.00 O ATOM 1520 CB GLN A 104 0.951 -25.447 -9.428 1.00 0.00 C ATOM 1521 CG GLN A 104 1.751 -25.405 -8.136 1.00 0.00 C ATOM 1522 CD GLN A 104 0.872 -25.480 -6.903 1.00 0.00 C ATOM 1523 OE1 GLN A 104 0.528 -24.458 -6.309 1.00 0.00 O ATOM 1524 NE2 GLN A 104 0.503 -26.695 -6.512 1.00 0.00 N ATOM 0 H GLN A 104 -1.059 -24.796 -8.098 1.00 0.00 H new ATOM 0 HA GLN A 104 0.829 -23.320 -9.704 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.267 -26.295 -9.395 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.632 -25.619 -10.262 1.00 0.00 H new ATOM 0 HG2 GLN A 104 2.459 -26.234 -8.124 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.336 -24.486 -8.105 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.812 -27.515 -7.035 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.089 -26.808 -5.689 1.00 0.00 H new ATOM 1533 N ALA A 105 -0.293 -23.262 -11.898 1.00 0.00 N ATOM 1534 CA ALA A 105 -0.884 -23.229 -13.230 1.00 0.00 C ATOM 1535 C ALA A 105 0.001 -23.951 -14.241 1.00 0.00 C ATOM 1536 O ALA A 105 -0.486 -24.720 -15.069 1.00 0.00 O ATOM 1537 CB ALA A 105 -1.121 -21.791 -13.666 1.00 0.00 C ATOM 0 H ALA A 105 0.306 -22.465 -11.682 1.00 0.00 H new ATOM 0 HA ALA A 105 -1.842 -23.748 -13.189 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -1.563 -21.781 -14.662 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.798 -21.305 -12.964 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -0.172 -21.255 -13.684 1.00 0.00 H new ATOM 1543 N GLY A 106 1.304 -23.696 -14.169 1.00 0.00 N ATOM 1544 CA GLY A 106 2.235 -24.329 -15.085 1.00 0.00 C ATOM 1545 C GLY A 106 3.607 -23.684 -15.054 1.00 0.00 C ATOM 1546 O GLY A 106 4.587 -24.272 -15.512 1.00 0.00 O ATOM 0 H GLY A 106 1.731 -23.063 -13.493 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.328 -25.385 -14.832 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.835 -24.278 -16.098 1.00 0.00 H new TER 1550 GLY A 106