USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 435 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 Single : A 1 GLY N :NH3+ -117:sc= 0.0964 (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 GLN : amide:sc= -0.0362 K(o=-0.036,f=-1.5!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.37) USER MOD Single : A 14 GLN : amide:sc= -0.0535 X(o=-0.054,f=-0.029) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0295) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.0245 X(o=0.024,f=-0.19) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.0301 (180deg=-0.325) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.125 K(o=-0.12,f=-2.2) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.253 F(o=-0.9,f=-0.25) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0492 X(o=-0.049,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.117 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0776 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 98:sc= 0.93 USER MOD Single : A 56 SER OG : rot -66:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.882 35.705 -23.063 1.00 0.00 N ATOM 2 CA GLY A 1 -16.776 35.583 -21.927 1.00 0.00 C ATOM 3 C GLY A 1 -16.497 34.344 -21.099 1.00 0.00 C ATOM 4 O GLY A 1 -15.492 33.665 -21.307 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.309 36.567 -22.963 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.256 34.875 -23.103 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.440 35.760 -23.939 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.680 36.467 -21.296 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.806 35.555 -22.281 1.00 0.00 H new ATOM 8 N SER A 2 -17.387 34.050 -20.157 1.00 0.00 N ATOM 9 CA SER A 2 -17.229 32.887 -19.292 1.00 0.00 C ATOM 10 C SER A 2 -18.572 32.210 -19.040 1.00 0.00 C ATOM 11 O SER A 2 -19.613 32.680 -19.500 1.00 0.00 O ATOM 12 CB SER A 2 -16.594 33.298 -17.962 1.00 0.00 C ATOM 13 OG SER A 2 -15.378 33.996 -18.170 1.00 0.00 O ATOM 0 H SER A 2 -18.225 34.601 -19.973 1.00 0.00 H new ATOM 0 HA SER A 2 -16.574 32.176 -19.796 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.287 33.928 -17.404 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.409 32.412 -17.355 1.00 0.00 H new ATOM 0 HG SER A 2 -14.994 34.249 -17.305 1.00 0.00 H new ATOM 19 N SER A 3 -18.541 31.103 -18.305 1.00 0.00 N ATOM 20 CA SER A 3 -19.755 30.358 -17.994 1.00 0.00 C ATOM 21 C SER A 3 -19.970 30.273 -16.486 1.00 0.00 C ATOM 22 O SER A 3 -21.021 30.654 -15.975 1.00 0.00 O ATOM 23 CB SER A 3 -19.682 28.950 -18.590 1.00 0.00 C ATOM 24 OG SER A 3 -20.131 28.942 -19.934 1.00 0.00 O ATOM 0 H SER A 3 -17.688 30.702 -17.914 1.00 0.00 H new ATOM 0 HA SER A 3 -20.599 30.888 -18.434 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.656 28.585 -18.544 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.290 28.268 -17.996 1.00 0.00 H new ATOM 0 HG SER A 3 -20.073 28.032 -20.293 1.00 0.00 H new ATOM 30 N GLY A 4 -18.962 29.769 -15.779 1.00 0.00 N ATOM 31 CA GLY A 4 -19.059 29.643 -14.336 1.00 0.00 C ATOM 32 C GLY A 4 -18.469 28.342 -13.828 1.00 0.00 C ATOM 33 O GLY A 4 -17.809 27.619 -14.573 1.00 0.00 O ATOM 0 H GLY A 4 -18.081 29.446 -16.179 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.544 30.480 -13.866 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.106 29.705 -14.038 1.00 0.00 H new ATOM 37 N SER A 5 -18.706 28.045 -12.554 1.00 0.00 N ATOM 38 CA SER A 5 -18.188 26.826 -11.944 1.00 0.00 C ATOM 39 C SER A 5 -19.108 26.344 -10.827 1.00 0.00 C ATOM 40 O SER A 5 -20.043 27.042 -10.433 1.00 0.00 O ATOM 41 CB SER A 5 -16.780 27.063 -11.394 1.00 0.00 C ATOM 42 OG SER A 5 -16.819 27.851 -10.217 1.00 0.00 O ATOM 0 H SER A 5 -19.253 28.632 -11.924 1.00 0.00 H new ATOM 0 HA SER A 5 -18.144 26.055 -12.713 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.304 26.106 -11.179 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.170 27.560 -12.148 1.00 0.00 H new ATOM 0 HG SER A 5 -15.907 27.987 -9.884 1.00 0.00 H new ATOM 48 N SER A 6 -18.837 25.145 -10.321 1.00 0.00 N ATOM 49 CA SER A 6 -19.642 24.566 -9.252 1.00 0.00 C ATOM 50 C SER A 6 -18.857 24.520 -7.945 1.00 0.00 C ATOM 51 O SER A 6 -19.238 25.144 -6.956 1.00 0.00 O ATOM 52 CB SER A 6 -20.100 23.158 -9.635 1.00 0.00 C ATOM 53 OG SER A 6 -21.215 23.204 -10.508 1.00 0.00 O ATOM 0 H SER A 6 -18.066 24.556 -10.634 1.00 0.00 H new ATOM 0 HA SER A 6 -20.518 25.198 -9.107 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.280 22.624 -10.115 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.361 22.600 -8.736 1.00 0.00 H new ATOM 0 HG SER A 6 -21.487 22.291 -10.739 1.00 0.00 H new ATOM 59 N GLY A 7 -17.756 23.774 -7.949 1.00 0.00 N ATOM 60 CA GLY A 7 -16.933 23.659 -6.759 1.00 0.00 C ATOM 61 C GLY A 7 -16.892 22.244 -6.218 1.00 0.00 C ATOM 62 O GLY A 7 -17.295 21.301 -6.898 1.00 0.00 O ATOM 0 H GLY A 7 -17.420 23.247 -8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.919 23.986 -6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.317 24.328 -5.989 1.00 0.00 H new ATOM 66 N GLN A 8 -16.402 22.095 -4.991 1.00 0.00 N ATOM 67 CA GLN A 8 -16.308 20.784 -4.360 1.00 0.00 C ATOM 68 C GLN A 8 -16.051 20.917 -2.863 1.00 0.00 C ATOM 69 O GLN A 8 -15.292 21.777 -2.413 1.00 0.00 O ATOM 70 CB GLN A 8 -15.194 19.961 -5.010 1.00 0.00 C ATOM 71 CG GLN A 8 -15.044 18.568 -4.420 1.00 0.00 C ATOM 72 CD GLN A 8 -13.713 17.929 -4.765 1.00 0.00 C ATOM 73 OE1 GLN A 8 -12.718 18.620 -4.985 1.00 0.00 O ATOM 74 NE2 GLN A 8 -13.688 16.602 -4.814 1.00 0.00 N ATOM 0 H GLN A 8 -16.064 22.866 -4.415 1.00 0.00 H new ATOM 0 HA GLN A 8 -17.259 20.271 -4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -15.393 19.875 -6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.250 20.495 -4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.146 18.624 -3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.852 17.934 -4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.537 16.069 -4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.820 16.116 -5.041 1.00 0.00 H new ATOM 83 N PRO A 9 -16.696 20.048 -2.072 1.00 0.00 N ATOM 84 CA PRO A 9 -16.553 20.049 -0.613 1.00 0.00 C ATOM 85 C PRO A 9 -15.172 19.581 -0.166 1.00 0.00 C ATOM 86 O PRO A 9 -14.391 19.064 -0.965 1.00 0.00 O ATOM 87 CB PRO A 9 -17.627 19.062 -0.150 1.00 0.00 C ATOM 88 CG PRO A 9 -17.835 18.155 -1.314 1.00 0.00 C ATOM 89 CD PRO A 9 -17.615 18.997 -2.540 1.00 0.00 C ATOM 0 HA PRO A 9 -16.664 21.049 -0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -17.302 18.508 0.731 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.549 19.578 0.120 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.138 17.318 -1.286 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.840 17.733 -1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.180 18.416 -3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.550 19.417 -2.912 1.00 0.00 H new ATOM 97 N THR A 10 -14.876 19.765 1.117 1.00 0.00 N ATOM 98 CA THR A 10 -13.589 19.362 1.670 1.00 0.00 C ATOM 99 C THR A 10 -13.762 18.663 3.014 1.00 0.00 C ATOM 100 O THR A 10 -14.769 18.851 3.697 1.00 0.00 O ATOM 101 CB THR A 10 -12.652 20.572 1.851 1.00 0.00 C ATOM 102 OG1 THR A 10 -13.305 21.586 2.624 1.00 0.00 O ATOM 103 CG2 THR A 10 -12.238 21.142 0.503 1.00 0.00 C ATOM 0 H THR A 10 -15.511 20.191 1.793 1.00 0.00 H new ATOM 0 HA THR A 10 -13.142 18.668 0.958 1.00 0.00 H new ATOM 0 HB THR A 10 -11.757 20.236 2.375 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.702 22.351 2.736 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.577 21.995 0.656 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.716 20.377 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 10 -13.124 21.464 -0.044 1.00 0.00 H new ATOM 111 N ALA A 11 -12.775 17.856 3.387 1.00 0.00 N ATOM 112 CA ALA A 11 -12.818 17.130 4.651 1.00 0.00 C ATOM 113 C ALA A 11 -11.425 17.008 5.261 1.00 0.00 C ATOM 114 O ALA A 11 -10.420 17.081 4.555 1.00 0.00 O ATOM 115 CB ALA A 11 -13.430 15.752 4.447 1.00 0.00 C ATOM 0 H ALA A 11 -11.936 17.688 2.832 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.442 17.693 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.456 15.221 5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.444 15.858 4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.829 15.189 3.733 1.00 0.00 H new ATOM 121 N GLN A 12 -11.375 16.823 6.576 1.00 0.00 N ATOM 122 CA GLN A 12 -10.105 16.693 7.281 1.00 0.00 C ATOM 123 C GLN A 12 -10.000 15.334 7.966 1.00 0.00 C ATOM 124 O GLN A 12 -10.720 15.055 8.924 1.00 0.00 O ATOM 125 CB GLN A 12 -9.953 17.811 8.313 1.00 0.00 C ATOM 126 CG GLN A 12 -10.057 19.206 7.719 1.00 0.00 C ATOM 127 CD GLN A 12 -8.798 19.623 6.984 1.00 0.00 C ATOM 128 OE1 GLN A 12 -8.739 19.579 5.755 1.00 0.00 O ATOM 129 NE2 GLN A 12 -7.782 20.031 7.736 1.00 0.00 N ATOM 0 H GLN A 12 -12.198 16.760 7.175 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.302 16.774 6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.719 17.693 9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.988 17.707 8.809 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.903 19.242 7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.262 19.921 8.515 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.875 20.051 8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.909 20.324 7.298 1.00 0.00 H new ATOM 138 N GLN A 13 -9.098 14.494 7.467 1.00 0.00 N ATOM 139 CA GLN A 13 -8.900 13.164 8.031 1.00 0.00 C ATOM 140 C GLN A 13 -7.478 13.002 8.557 1.00 0.00 C ATOM 141 O GLN A 13 -6.576 13.745 8.172 1.00 0.00 O ATOM 142 CB GLN A 13 -9.193 12.092 6.980 1.00 0.00 C ATOM 143 CG GLN A 13 -9.435 10.712 7.569 1.00 0.00 C ATOM 144 CD GLN A 13 -10.632 10.677 8.499 1.00 0.00 C ATOM 145 OE1 GLN A 13 -10.485 10.528 9.713 1.00 0.00 O ATOM 146 NE2 GLN A 13 -11.826 10.814 7.934 1.00 0.00 N ATOM 0 H GLN A 13 -8.494 14.711 6.674 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.592 13.044 8.865 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.069 12.390 6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.356 12.039 6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.587 9.997 6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.547 10.393 8.114 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.901 10.935 6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.668 10.798 8.510 1.00 0.00 H new ATOM 155 N GLN A 14 -7.286 12.027 9.440 1.00 0.00 N ATOM 156 CA GLN A 14 -5.973 11.770 10.020 1.00 0.00 C ATOM 157 C GLN A 14 -5.395 10.459 9.496 1.00 0.00 C ATOM 158 O GLN A 14 -5.676 9.386 10.033 1.00 0.00 O ATOM 159 CB GLN A 14 -6.065 11.727 11.546 1.00 0.00 C ATOM 160 CG GLN A 14 -6.064 13.102 12.194 1.00 0.00 C ATOM 161 CD GLN A 14 -4.694 13.750 12.184 1.00 0.00 C ATOM 162 OE1 GLN A 14 -4.501 14.813 11.592 1.00 0.00 O ATOM 163 NE2 GLN A 14 -3.732 13.113 12.843 1.00 0.00 N ATOM 0 H GLN A 14 -8.022 11.403 9.769 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.308 12.583 9.727 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.975 11.200 11.832 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.227 11.150 11.936 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.771 13.747 11.671 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.413 13.015 13.223 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.936 12.235 13.320 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.790 13.502 12.872 1.00 0.00 H new ATOM 172 N LEU A 15 -4.586 10.552 8.447 1.00 0.00 N ATOM 173 CA LEU A 15 -3.968 9.373 7.850 1.00 0.00 C ATOM 174 C LEU A 15 -2.684 9.744 7.115 1.00 0.00 C ATOM 175 O LEU A 15 -2.654 10.698 6.337 1.00 0.00 O ATOM 176 CB LEU A 15 -4.943 8.694 6.886 1.00 0.00 C ATOM 177 CG LEU A 15 -6.246 8.182 7.499 1.00 0.00 C ATOM 178 CD1 LEU A 15 -7.236 7.801 6.409 1.00 0.00 C ATOM 179 CD2 LEU A 15 -5.975 6.996 8.414 1.00 0.00 C ATOM 0 H LEU A 15 -4.342 11.432 7.992 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.718 8.679 8.653 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.191 9.401 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.432 7.854 6.416 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.684 8.983 8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.157 7.439 6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.454 8.674 5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.807 7.017 5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.914 6.644 8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.514 6.192 7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.303 7.301 9.216 1.00 0.00 H new ATOM 191 N THR A 16 -1.624 8.982 7.366 1.00 0.00 N ATOM 192 CA THR A 16 -0.337 9.230 6.728 1.00 0.00 C ATOM 193 C THR A 16 0.181 7.977 6.030 1.00 0.00 C ATOM 194 O THR A 16 0.466 6.968 6.674 1.00 0.00 O ATOM 195 CB THR A 16 0.714 9.706 7.749 1.00 0.00 C ATOM 196 OG1 THR A 16 0.205 10.819 8.493 1.00 0.00 O ATOM 197 CG2 THR A 16 2.005 10.104 7.050 1.00 0.00 C ATOM 0 H THR A 16 -1.631 8.188 8.006 1.00 0.00 H new ATOM 0 HA THR A 16 -0.497 10.015 5.989 1.00 0.00 H new ATOM 0 HB THR A 16 0.927 8.882 8.430 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.878 11.115 9.141 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.732 10.437 7.791 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.405 9.247 6.509 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.804 10.914 6.349 1.00 0.00 H new ATOM 205 N LYS A 17 0.301 8.049 4.708 1.00 0.00 N ATOM 206 CA LYS A 17 0.786 6.922 3.921 1.00 0.00 C ATOM 207 C LYS A 17 2.276 7.065 3.628 1.00 0.00 C ATOM 208 O LYS A 17 2.785 8.162 3.397 1.00 0.00 O ATOM 209 CB LYS A 17 0.005 6.815 2.610 1.00 0.00 C ATOM 210 CG LYS A 17 0.385 7.872 1.587 1.00 0.00 C ATOM 211 CD LYS A 17 -0.130 9.244 1.986 1.00 0.00 C ATOM 212 CE LYS A 17 -0.375 10.123 0.769 1.00 0.00 C ATOM 213 NZ LYS A 17 -0.398 11.569 1.124 1.00 0.00 N ATOM 0 H LYS A 17 0.069 8.877 4.159 1.00 0.00 H new ATOM 0 HA LYS A 17 0.634 6.012 4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.170 5.828 2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.061 6.895 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.469 7.906 1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.021 7.599 0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.056 9.136 2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.591 9.727 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.404 9.943 0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.323 9.847 0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.567 12.134 0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.158 11.746 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.516 11.839 1.541 1.00 0.00 H new ATOM 227 N PRO A 18 2.993 5.931 3.635 1.00 0.00 N ATOM 228 CA PRO A 18 4.434 5.904 3.369 1.00 0.00 C ATOM 229 C PRO A 18 4.761 6.218 1.913 1.00 0.00 C ATOM 230 O PRO A 18 3.923 6.738 1.177 1.00 0.00 O ATOM 231 CB PRO A 18 4.831 4.465 3.709 1.00 0.00 C ATOM 232 CG PRO A 18 3.583 3.674 3.521 1.00 0.00 C ATOM 233 CD PRO A 18 2.452 4.588 3.902 1.00 0.00 C ATOM 0 HA PRO A 18 4.969 6.656 3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.628 4.109 3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.199 4.387 4.732 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.484 3.341 2.488 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.590 2.780 4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.559 4.390 3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.174 4.468 4.949 1.00 0.00 H new ATOM 241 N ALA A 19 5.984 5.896 1.504 1.00 0.00 N ATOM 242 CA ALA A 19 6.420 6.141 0.134 1.00 0.00 C ATOM 243 C ALA A 19 6.992 4.875 -0.494 1.00 0.00 C ATOM 244 O ALA A 19 8.107 4.878 -1.017 1.00 0.00 O ATOM 245 CB ALA A 19 7.450 7.261 0.101 1.00 0.00 C ATOM 0 H ALA A 19 6.690 5.465 2.101 1.00 0.00 H new ATOM 0 HA ALA A 19 5.551 6.444 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.767 7.434 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.009 8.173 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.313 6.979 0.704 1.00 0.00 H new ATOM 251 N LYS A 20 6.222 3.794 -0.440 1.00 0.00 N ATOM 252 CA LYS A 20 6.650 2.520 -1.005 1.00 0.00 C ATOM 253 C LYS A 20 5.448 1.650 -1.359 1.00 0.00 C ATOM 254 O LYS A 20 4.307 1.997 -1.052 1.00 0.00 O ATOM 255 CB LYS A 20 7.556 1.780 -0.018 1.00 0.00 C ATOM 256 CG LYS A 20 6.795 1.033 1.064 1.00 0.00 C ATOM 257 CD LYS A 20 6.353 1.966 2.180 1.00 0.00 C ATOM 258 CE LYS A 20 5.919 1.191 3.414 1.00 0.00 C ATOM 259 NZ LYS A 20 7.084 0.664 4.177 1.00 0.00 N ATOM 0 H LYS A 20 5.297 3.775 -0.010 1.00 0.00 H new ATOM 0 HA LYS A 20 7.209 2.725 -1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.177 1.073 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.229 2.497 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.922 0.548 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.426 0.245 1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.171 2.638 2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.529 2.588 1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.325 1.839 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.276 0.363 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.754 0.246 5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.569 -0.063 3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.745 1.441 4.382 1.00 0.00 H new ATOM 273 N ILE A 21 5.712 0.518 -2.004 1.00 0.00 N ATOM 274 CA ILE A 21 4.651 -0.402 -2.396 1.00 0.00 C ATOM 275 C ILE A 21 4.845 -1.770 -1.752 1.00 0.00 C ATOM 276 O ILE A 21 5.971 -2.250 -1.613 1.00 0.00 O ATOM 277 CB ILE A 21 4.590 -0.570 -3.926 1.00 0.00 C ATOM 278 CG1 ILE A 21 4.427 0.791 -4.605 1.00 0.00 C ATOM 279 CG2 ILE A 21 3.449 -1.500 -4.311 1.00 0.00 C ATOM 280 CD1 ILE A 21 4.738 0.770 -6.085 1.00 0.00 C ATOM 0 H ILE A 21 6.651 0.216 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 21 3.713 0.030 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 21 5.526 -1.014 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.404 1.139 -4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.080 1.513 -4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.418 -1.609 -5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.605 -2.476 -3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.505 -1.082 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.601 1.769 -6.500 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.770 0.453 -6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.067 0.073 -6.588 1.00 0.00 H new ATOM 292 N THR A 22 3.739 -2.397 -1.363 1.00 0.00 N ATOM 293 CA THR A 22 3.786 -3.711 -0.734 1.00 0.00 C ATOM 294 C THR A 22 2.739 -4.644 -1.331 1.00 0.00 C ATOM 295 O THR A 22 1.883 -4.217 -2.107 1.00 0.00 O ATOM 296 CB THR A 22 3.565 -3.615 0.787 1.00 0.00 C ATOM 297 OG1 THR A 22 2.515 -2.683 1.071 1.00 0.00 O ATOM 298 CG2 THR A 22 4.840 -3.180 1.493 1.00 0.00 C ATOM 0 H THR A 22 2.799 -2.016 -1.473 1.00 0.00 H new ATOM 0 HA THR A 22 4.780 -4.116 -0.923 1.00 0.00 H new ATOM 0 HB THR A 22 3.284 -4.602 1.154 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.379 -2.629 2.040 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.659 -3.119 2.566 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.629 -3.906 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.147 -2.202 1.121 1.00 0.00 H new ATOM 306 N CYS A 23 2.810 -5.919 -0.964 1.00 0.00 N ATOM 307 CA CYS A 23 1.868 -6.913 -1.462 1.00 0.00 C ATOM 308 C CYS A 23 0.515 -6.775 -0.770 1.00 0.00 C ATOM 309 O CYS A 23 0.442 -6.631 0.450 1.00 0.00 O ATOM 310 CB CYS A 23 2.421 -8.323 -1.249 1.00 0.00 C ATOM 311 SG CYS A 23 1.317 -9.651 -1.829 1.00 0.00 S ATOM 0 H CYS A 23 3.512 -6.288 -0.322 1.00 0.00 H new ATOM 0 HA CYS A 23 1.729 -6.742 -2.530 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.377 -8.409 -1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.619 -8.467 -0.187 1.00 0.00 H new ATOM 316 N ALA A 24 -0.554 -6.821 -1.558 1.00 0.00 N ATOM 317 CA ALA A 24 -1.905 -6.704 -1.021 1.00 0.00 C ATOM 318 C ALA A 24 -2.373 -8.025 -0.420 1.00 0.00 C ATOM 319 O ALA A 24 -3.564 -8.221 -0.181 1.00 0.00 O ATOM 320 CB ALA A 24 -2.866 -6.245 -2.107 1.00 0.00 C ATOM 0 H ALA A 24 -0.511 -6.938 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.891 -5.959 -0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.871 -6.162 -1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.549 -5.274 -2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.868 -6.970 -2.921 1.00 0.00 H new ATOM 326 N ASN A 25 -1.428 -8.928 -0.178 1.00 0.00 N ATOM 327 CA ASN A 25 -1.745 -10.231 0.394 1.00 0.00 C ATOM 328 C ASN A 25 -0.906 -10.497 1.640 1.00 0.00 C ATOM 329 O ASN A 25 -1.440 -10.667 2.737 1.00 0.00 O ATOM 330 CB ASN A 25 -1.509 -11.335 -0.639 1.00 0.00 C ATOM 331 CG ASN A 25 -2.295 -12.595 -0.328 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.483 -12.689 -0.635 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.633 -13.569 0.284 1.00 0.00 N ATOM 0 H ASN A 25 -0.437 -8.781 -0.369 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.797 -10.229 0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.789 -10.970 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.446 -11.573 -0.676 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.109 -14.440 0.519 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.648 -13.447 0.519 1.00 0.00 H new ATOM 340 N CYS A 26 0.410 -10.530 1.464 1.00 0.00 N ATOM 341 CA CYS A 26 1.325 -10.774 2.573 1.00 0.00 C ATOM 342 C CYS A 26 1.803 -9.460 3.184 1.00 0.00 C ATOM 343 O CYS A 26 2.321 -9.433 4.300 1.00 0.00 O ATOM 344 CB CYS A 26 2.525 -11.596 2.101 1.00 0.00 C ATOM 345 SG CYS A 26 3.411 -10.871 0.683 1.00 0.00 S ATOM 0 H CYS A 26 0.868 -10.391 0.563 1.00 0.00 H new ATOM 0 HA CYS A 26 0.787 -11.335 3.337 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.222 -11.711 2.931 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.184 -12.595 1.830 1.00 0.00 H new ATOM 350 N LYS A 27 1.625 -8.371 2.444 1.00 0.00 N ATOM 351 CA LYS A 27 2.036 -7.052 2.911 1.00 0.00 C ATOM 352 C LYS A 27 3.550 -6.982 3.079 1.00 0.00 C ATOM 353 O LYS A 27 4.050 -6.517 4.103 1.00 0.00 O ATOM 354 CB LYS A 27 1.348 -6.721 4.237 1.00 0.00 C ATOM 355 CG LYS A 27 -0.168 -6.698 4.148 1.00 0.00 C ATOM 356 CD LYS A 27 -0.676 -5.363 3.631 1.00 0.00 C ATOM 357 CE LYS A 27 -2.166 -5.196 3.888 1.00 0.00 C ATOM 358 NZ LYS A 27 -2.467 -5.065 5.341 1.00 0.00 N ATOM 0 H LYS A 27 1.198 -8.376 1.517 1.00 0.00 H new ATOM 0 HA LYS A 27 1.738 -6.319 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.648 -7.455 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.698 -5.749 4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.507 -7.497 3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.594 -6.894 5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.129 -4.553 4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.479 -5.287 2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.529 -4.314 3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.703 -6.053 3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.401 -4.625 5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.467 -6.007 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.743 -4.471 5.793 1.00 0.00 H new ATOM 372 N LYS A 28 4.275 -7.445 2.067 1.00 0.00 N ATOM 373 CA LYS A 28 5.733 -7.433 2.101 1.00 0.00 C ATOM 374 C LYS A 28 6.285 -6.246 1.318 1.00 0.00 C ATOM 375 O LYS A 28 5.699 -5.794 0.334 1.00 0.00 O ATOM 376 CB LYS A 28 6.288 -8.738 1.527 1.00 0.00 C ATOM 377 CG LYS A 28 6.484 -9.826 2.569 1.00 0.00 C ATOM 378 CD LYS A 28 6.709 -11.183 1.924 1.00 0.00 C ATOM 379 CE LYS A 28 8.130 -11.322 1.400 1.00 0.00 C ATOM 380 NZ LYS A 28 8.575 -12.743 1.375 1.00 0.00 N ATOM 0 H LYS A 28 3.877 -7.834 1.212 1.00 0.00 H new ATOM 0 HA LYS A 28 6.047 -7.338 3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.610 -9.103 0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.243 -8.535 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.337 -9.577 3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.609 -9.871 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.510 -11.970 2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.003 -11.319 1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.189 -10.905 0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.807 -10.740 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.548 -12.796 1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.543 -13.134 2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.945 -13.293 0.757 1.00 0.00 H new ATOM 394 N PRO A 29 7.441 -5.729 1.762 1.00 0.00 N ATOM 395 CA PRO A 29 8.098 -4.590 1.115 1.00 0.00 C ATOM 396 C PRO A 29 8.671 -4.949 -0.251 1.00 0.00 C ATOM 397 O PRO A 29 9.769 -5.499 -0.351 1.00 0.00 O ATOM 398 CB PRO A 29 9.224 -4.230 2.089 1.00 0.00 C ATOM 399 CG PRO A 29 9.509 -5.496 2.821 1.00 0.00 C ATOM 400 CD PRO A 29 8.194 -6.218 2.928 1.00 0.00 C ATOM 0 HA PRO A 29 7.402 -3.773 0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.107 -3.871 1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.919 -3.438 2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.243 -6.099 2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.923 -5.291 3.808 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.326 -7.300 2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.683 -5.986 3.862 1.00 0.00 H new ATOM 408 N LEU A 30 7.922 -4.636 -1.303 1.00 0.00 N ATOM 409 CA LEU A 30 8.356 -4.926 -2.665 1.00 0.00 C ATOM 410 C LEU A 30 9.319 -3.856 -3.169 1.00 0.00 C ATOM 411 O LEU A 30 9.099 -2.663 -2.961 1.00 0.00 O ATOM 412 CB LEU A 30 7.146 -5.021 -3.597 1.00 0.00 C ATOM 413 CG LEU A 30 5.958 -5.829 -3.075 1.00 0.00 C ATOM 414 CD1 LEU A 30 4.729 -5.590 -3.939 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.300 -7.312 -3.030 1.00 0.00 C ATOM 0 H LEU A 30 7.011 -4.181 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 30 8.878 -5.883 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.803 -4.010 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.472 -5.460 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 30 5.735 -5.497 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.893 -6.173 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.472 -4.531 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.940 -5.894 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.443 -7.872 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.550 -7.658 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.152 -7.469 -2.369 1.00 0.00 H new ATOM 427 N GLN A 31 10.384 -4.292 -3.835 1.00 0.00 N ATOM 428 CA GLN A 31 11.379 -3.371 -4.370 1.00 0.00 C ATOM 429 C GLN A 31 10.989 -2.899 -5.767 1.00 0.00 C ATOM 430 O GLN A 31 9.983 -3.340 -6.324 1.00 0.00 O ATOM 431 CB GLN A 31 12.754 -4.039 -4.410 1.00 0.00 C ATOM 432 CG GLN A 31 13.515 -3.944 -3.098 1.00 0.00 C ATOM 433 CD GLN A 31 13.981 -2.533 -2.794 1.00 0.00 C ATOM 434 OE1 GLN A 31 13.931 -1.652 -3.653 1.00 0.00 O ATOM 435 NE2 GLN A 31 14.437 -2.311 -1.567 1.00 0.00 N ATOM 0 H GLN A 31 10.579 -5.277 -4.017 1.00 0.00 H new ATOM 0 HA GLN A 31 11.424 -2.503 -3.712 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.631 -5.089 -4.674 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.349 -3.580 -5.200 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.877 -4.295 -2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.379 -4.608 -3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.461 -3.070 -0.887 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.764 -1.381 -1.305 1.00 0.00 H new ATOM 444 N LYS A 32 11.790 -2.000 -6.328 1.00 0.00 N ATOM 445 CA LYS A 32 11.530 -1.468 -7.660 1.00 0.00 C ATOM 446 C LYS A 32 11.669 -2.559 -8.718 1.00 0.00 C ATOM 447 O LYS A 32 10.790 -2.736 -9.560 1.00 0.00 O ATOM 448 CB LYS A 32 12.491 -0.318 -7.969 1.00 0.00 C ATOM 449 CG LYS A 32 11.908 0.726 -8.906 1.00 0.00 C ATOM 450 CD LYS A 32 11.895 0.239 -10.345 1.00 0.00 C ATOM 451 CE LYS A 32 10.826 0.948 -11.163 1.00 0.00 C ATOM 452 NZ LYS A 32 11.100 0.865 -12.624 1.00 0.00 N ATOM 0 H LYS A 32 12.626 -1.624 -5.880 1.00 0.00 H new ATOM 0 HA LYS A 32 10.507 -1.094 -7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.779 0.164 -7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.400 -0.724 -8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.892 0.969 -8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.491 1.644 -8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.872 0.408 -10.797 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.717 -0.836 -10.365 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.853 0.505 -10.950 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.773 1.994 -10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.349 1.360 -13.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.017 1.310 -12.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.125 -0.133 -12.916 1.00 0.00 H new ATOM 466 N GLY A 33 12.780 -3.288 -8.667 1.00 0.00 N ATOM 467 CA GLY A 33 13.013 -4.353 -9.625 1.00 0.00 C ATOM 468 C GLY A 33 12.055 -5.514 -9.446 1.00 0.00 C ATOM 469 O GLY A 33 11.544 -6.061 -10.423 1.00 0.00 O ATOM 0 H GLY A 33 13.523 -3.160 -7.979 1.00 0.00 H new ATOM 0 HA2 GLY A 33 12.914 -3.957 -10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.037 -4.712 -9.523 1.00 0.00 H new ATOM 473 N GLN A 34 11.813 -5.892 -8.195 1.00 0.00 N ATOM 474 CA GLN A 34 10.911 -6.997 -7.892 1.00 0.00 C ATOM 475 C GLN A 34 9.683 -6.961 -8.795 1.00 0.00 C ATOM 476 O GLN A 34 9.074 -5.908 -8.992 1.00 0.00 O ATOM 477 CB GLN A 34 10.482 -6.946 -6.425 1.00 0.00 C ATOM 478 CG GLN A 34 11.576 -7.365 -5.456 1.00 0.00 C ATOM 479 CD GLN A 34 11.857 -8.854 -5.501 1.00 0.00 C ATOM 480 OE1 GLN A 34 12.660 -9.276 -6.471 1.00 0.00 O flip ATOM 481 NE2 GLN A 34 11.357 -9.617 -4.674 1.00 0.00 N flip ATOM 0 H GLN A 34 12.229 -5.450 -7.375 1.00 0.00 H new ATOM 0 HA GLN A 34 11.446 -7.929 -8.074 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.163 -5.932 -6.183 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.617 -7.594 -6.285 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.491 -6.819 -5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.286 -7.084 -4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.745 -9.249 -3.945 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.554 -10.617 -4.718 1.00 0.00 H new ATOM 490 N THR A 35 9.322 -8.117 -9.343 1.00 0.00 N ATOM 491 CA THR A 35 8.168 -8.217 -10.226 1.00 0.00 C ATOM 492 C THR A 35 6.865 -8.101 -9.444 1.00 0.00 C ATOM 493 O THR A 35 6.796 -8.479 -8.274 1.00 0.00 O ATOM 494 CB THR A 35 8.169 -9.547 -11.004 1.00 0.00 C ATOM 495 OG1 THR A 35 7.179 -9.511 -12.038 1.00 0.00 O ATOM 496 CG2 THR A 35 7.894 -10.719 -10.073 1.00 0.00 C ATOM 0 H THR A 35 9.813 -8.998 -9.190 1.00 0.00 H new ATOM 0 HA THR A 35 8.239 -7.390 -10.933 1.00 0.00 H new ATOM 0 HB THR A 35 9.155 -9.680 -11.450 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.187 -10.359 -12.529 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.900 -11.647 -10.645 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.666 -10.762 -9.304 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.920 -10.589 -9.602 1.00 0.00 H new ATOM 504 N ALA A 36 5.833 -7.576 -10.096 1.00 0.00 N ATOM 505 CA ALA A 36 4.531 -7.413 -9.461 1.00 0.00 C ATOM 506 C ALA A 36 3.442 -8.134 -10.248 1.00 0.00 C ATOM 507 O ALA A 36 3.532 -8.272 -11.468 1.00 0.00 O ATOM 508 CB ALA A 36 4.193 -5.936 -9.321 1.00 0.00 C ATOM 0 H ALA A 36 5.873 -7.256 -11.064 1.00 0.00 H new ATOM 0 HA ALA A 36 4.581 -7.859 -8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.218 -5.829 -8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.951 -5.446 -8.710 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.168 -5.473 -10.308 1.00 0.00 H new ATOM 514 N TYR A 37 2.414 -8.593 -9.543 1.00 0.00 N ATOM 515 CA TYR A 37 1.309 -9.303 -10.176 1.00 0.00 C ATOM 516 C TYR A 37 -0.016 -8.592 -9.915 1.00 0.00 C ATOM 517 O TYR A 37 -0.413 -8.400 -8.767 1.00 0.00 O ATOM 518 CB TYR A 37 1.238 -10.742 -9.661 1.00 0.00 C ATOM 519 CG TYR A 37 2.442 -11.578 -10.032 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.652 -11.423 -9.366 1.00 0.00 C ATOM 521 CD2 TYR A 37 2.371 -12.522 -11.049 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.755 -12.184 -9.702 1.00 0.00 C ATOM 523 CE2 TYR A 37 3.468 -13.288 -11.391 1.00 0.00 C ATOM 524 CZ TYR A 37 4.658 -13.115 -10.715 1.00 0.00 C ATOM 525 OH TYR A 37 5.754 -13.875 -11.053 1.00 0.00 O ATOM 0 H TYR A 37 2.323 -8.486 -8.533 1.00 0.00 H new ATOM 0 HA TYR A 37 1.488 -9.317 -11.251 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.138 -10.726 -8.576 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.340 -11.217 -10.057 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.731 -10.695 -8.572 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.441 -12.659 -11.581 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.688 -12.051 -9.174 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.395 -14.018 -12.183 1.00 0.00 H new ATOM 0 HH TYR A 37 5.518 -14.483 -11.785 1.00 0.00 H new ATOM 535 N GLN A 38 -0.693 -8.206 -10.991 1.00 0.00 N ATOM 536 CA GLN A 38 -1.973 -7.516 -10.880 1.00 0.00 C ATOM 537 C GLN A 38 -3.088 -8.329 -11.530 1.00 0.00 C ATOM 538 O GLN A 38 -2.844 -9.109 -12.452 1.00 0.00 O ATOM 539 CB GLN A 38 -1.890 -6.133 -11.529 1.00 0.00 C ATOM 540 CG GLN A 38 -2.854 -5.122 -10.931 1.00 0.00 C ATOM 541 CD GLN A 38 -2.622 -3.717 -11.451 1.00 0.00 C ATOM 542 OE1 GLN A 38 -1.585 -3.107 -11.187 1.00 0.00 O ATOM 543 NE2 GLN A 38 -3.589 -3.194 -12.196 1.00 0.00 N ATOM 0 H GLN A 38 -0.377 -8.359 -11.949 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.203 -7.399 -9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.872 -5.755 -11.430 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.092 -6.229 -12.596 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.877 -5.424 -11.155 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.751 -5.125 -9.846 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.432 -3.734 -12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.489 -2.252 -12.574 1.00 0.00 H new ATOM 552 N ARG A 39 -4.311 -8.142 -11.045 1.00 0.00 N ATOM 553 CA ARG A 39 -5.463 -8.859 -11.578 1.00 0.00 C ATOM 554 C ARG A 39 -6.388 -7.913 -12.337 1.00 0.00 C ATOM 555 O ARG A 39 -6.572 -6.761 -11.947 1.00 0.00 O ATOM 556 CB ARG A 39 -6.232 -9.544 -10.447 1.00 0.00 C ATOM 557 CG ARG A 39 -5.628 -10.870 -10.014 1.00 0.00 C ATOM 558 CD ARG A 39 -5.835 -11.946 -11.068 1.00 0.00 C ATOM 559 NE ARG A 39 -7.162 -12.550 -10.981 1.00 0.00 N ATOM 560 CZ ARG A 39 -7.459 -13.556 -10.166 1.00 0.00 C ATOM 561 NH1 ARG A 39 -6.528 -14.068 -9.372 1.00 0.00 N ATOM 562 NH2 ARG A 39 -8.689 -14.052 -10.144 1.00 0.00 N ATOM 0 H ARG A 39 -4.530 -7.500 -10.283 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.099 -9.617 -12.271 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.270 -8.874 -9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.260 -9.711 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.562 -10.742 -9.828 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.080 -11.188 -9.074 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.698 -11.514 -12.059 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.076 -12.720 -10.950 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.901 -12.179 -11.579 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.581 -13.689 -9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.759 -14.840 -8.747 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.408 -13.661 -10.753 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.916 -14.825 -9.518 1.00 0.00 H new ATOM 576 N LYS A 40 -6.968 -8.409 -13.426 1.00 0.00 N ATOM 577 CA LYS A 40 -7.875 -7.610 -14.241 1.00 0.00 C ATOM 578 C LYS A 40 -8.901 -6.892 -13.369 1.00 0.00 C ATOM 579 O LYS A 40 -9.262 -7.373 -12.296 1.00 0.00 O ATOM 580 CB LYS A 40 -8.589 -8.496 -15.264 1.00 0.00 C ATOM 581 CG LYS A 40 -9.387 -7.715 -16.294 1.00 0.00 C ATOM 582 CD LYS A 40 -8.544 -7.375 -17.511 1.00 0.00 C ATOM 583 CE LYS A 40 -9.408 -7.152 -18.743 1.00 0.00 C ATOM 584 NZ LYS A 40 -10.163 -5.871 -18.667 1.00 0.00 N ATOM 0 H LYS A 40 -6.825 -9.361 -13.764 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.285 -6.860 -14.768 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.850 -9.110 -15.779 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.258 -9.177 -14.738 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.254 -8.299 -16.603 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.764 -6.797 -15.844 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.957 -6.479 -17.310 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.837 -8.182 -17.702 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.778 -7.150 -19.633 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.108 -7.980 -18.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.739 -5.756 -19.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.783 -5.883 -17.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.494 -5.078 -18.591 1.00 0.00 H new ATOM 598 N GLY A 41 -9.369 -5.740 -13.840 1.00 0.00 N ATOM 599 CA GLY A 41 -10.350 -4.977 -13.091 1.00 0.00 C ATOM 600 C GLY A 41 -10.018 -4.896 -11.614 1.00 0.00 C ATOM 601 O GLY A 41 -10.830 -5.268 -10.767 1.00 0.00 O ATOM 0 H GLY A 41 -9.086 -5.322 -14.726 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.413 -3.969 -13.502 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.332 -5.433 -13.215 1.00 0.00 H new ATOM 605 N SER A 42 -8.820 -4.410 -11.305 1.00 0.00 N ATOM 606 CA SER A 42 -8.380 -4.286 -9.920 1.00 0.00 C ATOM 607 C SER A 42 -7.153 -3.384 -9.818 1.00 0.00 C ATOM 608 O SER A 42 -6.267 -3.425 -10.670 1.00 0.00 O ATOM 609 CB SER A 42 -8.062 -5.666 -9.339 1.00 0.00 C ATOM 610 OG SER A 42 -8.180 -5.663 -7.927 1.00 0.00 O ATOM 0 H SER A 42 -8.137 -4.096 -11.994 1.00 0.00 H new ATOM 0 HA SER A 42 -9.190 -3.835 -9.346 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.740 -6.407 -9.762 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.051 -5.959 -9.622 1.00 0.00 H new ATOM 0 HG SER A 42 -7.974 -6.556 -7.580 1.00 0.00 H new ATOM 616 N ALA A 43 -7.111 -2.570 -8.768 1.00 0.00 N ATOM 617 CA ALA A 43 -5.994 -1.659 -8.552 1.00 0.00 C ATOM 618 C ALA A 43 -5.129 -2.119 -7.384 1.00 0.00 C ATOM 619 O ALA A 43 -4.697 -1.310 -6.562 1.00 0.00 O ATOM 620 CB ALA A 43 -6.504 -0.247 -8.310 1.00 0.00 C ATOM 0 H ALA A 43 -7.838 -2.523 -8.054 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.376 -1.661 -9.450 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.659 0.423 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.073 0.088 -9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.146 -0.238 -7.429 1.00 0.00 H new ATOM 626 N HIS A 44 -4.879 -3.423 -7.316 1.00 0.00 N ATOM 627 CA HIS A 44 -4.064 -3.990 -6.247 1.00 0.00 C ATOM 628 C HIS A 44 -2.918 -4.819 -6.819 1.00 0.00 C ATOM 629 O HIS A 44 -3.123 -5.659 -7.696 1.00 0.00 O ATOM 630 CB HIS A 44 -4.925 -4.856 -5.326 1.00 0.00 C ATOM 631 CG HIS A 44 -5.824 -4.064 -4.428 1.00 0.00 C ATOM 632 ND1 HIS A 44 -7.101 -4.465 -4.098 1.00 0.00 N ATOM 633 CD2 HIS A 44 -5.623 -2.889 -3.787 1.00 0.00 C ATOM 634 CE1 HIS A 44 -7.648 -3.570 -3.295 1.00 0.00 C ATOM 635 NE2 HIS A 44 -6.772 -2.603 -3.090 1.00 0.00 N ATOM 0 H HIS A 44 -5.229 -4.106 -7.988 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.641 -3.167 -5.670 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.532 -5.527 -5.934 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.274 -5.481 -4.715 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.726 -2.288 -3.818 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.643 -3.620 -2.877 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.924 -1.778 -2.509 1.00 0.00 H new ATOM 644 N LEU A 45 -1.712 -4.577 -6.318 1.00 0.00 N ATOM 645 CA LEU A 45 -0.532 -5.301 -6.779 1.00 0.00 C ATOM 646 C LEU A 45 -0.206 -6.462 -5.846 1.00 0.00 C ATOM 647 O LEU A 45 -0.716 -6.535 -4.727 1.00 0.00 O ATOM 648 CB LEU A 45 0.666 -4.354 -6.874 1.00 0.00 C ATOM 649 CG LEU A 45 0.645 -3.358 -8.033 1.00 0.00 C ATOM 650 CD1 LEU A 45 1.661 -2.250 -7.804 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.915 -4.068 -9.352 1.00 0.00 C ATOM 0 H LEU A 45 -1.525 -3.885 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.747 -5.705 -7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.735 -3.794 -5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.572 -4.954 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.347 -2.908 -8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.631 -1.551 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.422 -1.722 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.659 -2.682 -7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.896 -3.343 -10.166 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.894 -4.546 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.148 -4.824 -9.522 1.00 0.00 H new ATOM 663 N PHE A 46 0.649 -7.366 -6.311 1.00 0.00 N ATOM 664 CA PHE A 46 1.046 -8.524 -5.517 1.00 0.00 C ATOM 665 C PHE A 46 2.520 -8.851 -5.732 1.00 0.00 C ATOM 666 O PHE A 46 3.104 -8.499 -6.758 1.00 0.00 O ATOM 667 CB PHE A 46 0.184 -9.735 -5.879 1.00 0.00 C ATOM 668 CG PHE A 46 -1.248 -9.604 -5.446 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.606 -9.801 -4.122 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.236 -9.282 -6.362 1.00 0.00 C ATOM 671 CE1 PHE A 46 -2.923 -9.682 -3.721 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.555 -9.160 -5.967 1.00 0.00 C ATOM 673 CZ PHE A 46 -3.899 -9.359 -4.645 1.00 0.00 C ATOM 0 H PHE A 46 1.081 -7.320 -7.234 1.00 0.00 H new ATOM 0 HA PHE A 46 0.896 -8.282 -4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.216 -9.884 -6.958 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.613 -10.626 -5.421 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.847 -10.050 -3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.973 -9.124 -7.397 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.190 -9.841 -2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.315 -8.909 -6.692 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.929 -9.263 -4.333 1.00 0.00 H new ATOM 683 N CYS A 47 3.118 -9.527 -4.757 1.00 0.00 N ATOM 684 CA CYS A 47 4.524 -9.903 -4.836 1.00 0.00 C ATOM 685 C CYS A 47 4.721 -11.078 -5.789 1.00 0.00 C ATOM 686 O CYS A 47 5.660 -11.095 -6.585 1.00 0.00 O ATOM 687 CB CYS A 47 5.057 -10.263 -3.448 1.00 0.00 C ATOM 688 SG CYS A 47 4.485 -11.878 -2.829 1.00 0.00 S ATOM 0 H CYS A 47 2.650 -9.826 -3.902 1.00 0.00 H new ATOM 0 HA CYS A 47 5.081 -9.049 -5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.147 -10.262 -3.477 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.756 -9.488 -2.743 1.00 0.00 H new ATOM 693 N SER A 48 3.828 -12.058 -5.703 1.00 0.00 N ATOM 694 CA SER A 48 3.904 -13.239 -6.555 1.00 0.00 C ATOM 695 C SER A 48 2.523 -13.855 -6.755 1.00 0.00 C ATOM 696 O SER A 48 1.600 -13.608 -5.977 1.00 0.00 O ATOM 697 CB SER A 48 4.852 -14.274 -5.945 1.00 0.00 C ATOM 698 OG SER A 48 6.139 -13.721 -5.728 1.00 0.00 O ATOM 0 H SER A 48 3.043 -12.058 -5.052 1.00 0.00 H new ATOM 0 HA SER A 48 4.290 -12.931 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.443 -14.634 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.930 -15.136 -6.608 1.00 0.00 H new ATOM 0 HG SER A 48 6.726 -14.401 -5.336 1.00 0.00 H new ATOM 704 N THR A 49 2.387 -14.659 -7.805 1.00 0.00 N ATOM 705 CA THR A 49 1.119 -15.310 -8.110 1.00 0.00 C ATOM 706 C THR A 49 0.491 -15.906 -6.856 1.00 0.00 C ATOM 707 O THR A 49 -0.666 -15.631 -6.537 1.00 0.00 O ATOM 708 CB THR A 49 1.297 -16.423 -9.160 1.00 0.00 C ATOM 709 OG1 THR A 49 2.313 -17.339 -8.735 1.00 0.00 O ATOM 710 CG2 THR A 49 1.669 -15.837 -10.513 1.00 0.00 C ATOM 0 H THR A 49 3.140 -14.875 -8.459 1.00 0.00 H new ATOM 0 HA THR A 49 0.459 -14.542 -8.514 1.00 0.00 H new ATOM 0 HB THR A 49 0.349 -16.952 -9.260 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.419 -18.045 -9.407 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.789 -16.642 -11.238 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.880 -15.163 -10.847 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.605 -15.285 -10.426 1.00 0.00 H new ATOM 718 N THR A 50 1.261 -16.724 -6.145 1.00 0.00 N ATOM 719 CA THR A 50 0.780 -17.359 -4.925 1.00 0.00 C ATOM 720 C THR A 50 -0.180 -16.446 -4.171 1.00 0.00 C ATOM 721 O THR A 50 -1.204 -16.895 -3.655 1.00 0.00 O ATOM 722 CB THR A 50 1.946 -17.741 -3.993 1.00 0.00 C ATOM 723 OG1 THR A 50 1.443 -18.392 -2.821 1.00 0.00 O ATOM 724 CG2 THR A 50 2.745 -16.510 -3.593 1.00 0.00 C ATOM 0 H THR A 50 2.221 -16.962 -6.394 1.00 0.00 H new ATOM 0 HA THR A 50 0.254 -18.265 -5.227 1.00 0.00 H new ATOM 0 HB THR A 50 2.605 -18.422 -4.532 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.190 -18.633 -2.234 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.563 -16.805 -2.935 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.151 -16.034 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.095 -15.808 -3.071 1.00 0.00 H new ATOM 732 N CYS A 51 0.157 -15.162 -4.111 1.00 0.00 N ATOM 733 CA CYS A 51 -0.675 -14.184 -3.420 1.00 0.00 C ATOM 734 C CYS A 51 -1.774 -13.658 -4.340 1.00 0.00 C ATOM 735 O CYS A 51 -2.961 -13.757 -4.027 1.00 0.00 O ATOM 736 CB CYS A 51 0.181 -13.022 -2.914 1.00 0.00 C ATOM 737 SG CYS A 51 1.201 -13.428 -1.460 1.00 0.00 S ATOM 0 H CYS A 51 1.001 -14.774 -4.533 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.143 -14.679 -2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.834 -12.687 -3.720 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.472 -12.186 -2.664 1.00 0.00 H new ATOM 742 N LEU A 52 -1.369 -13.100 -5.475 1.00 0.00 N ATOM 743 CA LEU A 52 -2.319 -12.559 -6.442 1.00 0.00 C ATOM 744 C LEU A 52 -3.542 -13.461 -6.568 1.00 0.00 C ATOM 745 O LEU A 52 -4.672 -12.982 -6.665 1.00 0.00 O ATOM 746 CB LEU A 52 -1.649 -12.395 -7.807 1.00 0.00 C ATOM 747 CG LEU A 52 -2.579 -12.436 -9.021 1.00 0.00 C ATOM 748 CD1 LEU A 52 -2.044 -11.547 -10.133 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.749 -13.865 -9.513 1.00 0.00 C ATOM 0 H LEU A 52 -0.391 -13.010 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.647 -11.583 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.115 -11.445 -7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.902 -13.181 -7.920 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.556 -12.058 -8.720 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.718 -11.589 -10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.974 -10.520 -9.776 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.055 -11.895 -10.433 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.414 -13.876 -10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.778 -14.270 -9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.178 -14.475 -8.718 1.00 0.00 H new ATOM 761 N SER A 53 -3.309 -14.769 -6.564 1.00 0.00 N ATOM 762 CA SER A 53 -4.391 -15.739 -6.680 1.00 0.00 C ATOM 763 C SER A 53 -5.020 -16.016 -5.318 1.00 0.00 C ATOM 764 O SER A 53 -6.240 -15.966 -5.163 1.00 0.00 O ATOM 765 CB SER A 53 -3.874 -17.043 -7.290 1.00 0.00 C ATOM 766 OG SER A 53 -4.928 -17.969 -7.485 1.00 0.00 O ATOM 0 H SER A 53 -2.380 -15.182 -6.482 1.00 0.00 H new ATOM 0 HA SER A 53 -5.154 -15.318 -7.335 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.388 -16.834 -8.243 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.119 -17.479 -6.636 1.00 0.00 H new ATOM 0 HG SER A 53 -4.571 -18.793 -7.877 1.00 0.00 H new ATOM 772 N SER A 54 -4.177 -16.309 -4.333 1.00 0.00 N ATOM 773 CA SER A 54 -4.649 -16.599 -2.983 1.00 0.00 C ATOM 774 C SER A 54 -5.680 -15.567 -2.536 1.00 0.00 C ATOM 775 O SER A 54 -6.735 -15.916 -2.005 1.00 0.00 O ATOM 776 CB SER A 54 -3.475 -16.622 -2.003 1.00 0.00 C ATOM 777 OG SER A 54 -2.924 -17.923 -1.898 1.00 0.00 O ATOM 0 H SER A 54 -3.164 -16.352 -4.444 1.00 0.00 H new ATOM 0 HA SER A 54 -5.123 -17.581 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.706 -15.924 -2.335 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.810 -16.285 -1.022 1.00 0.00 H new ATOM 0 HG SER A 54 -2.139 -17.994 -2.481 1.00 0.00 H new ATOM 783 N PHE A 55 -5.367 -14.294 -2.753 1.00 0.00 N ATOM 784 CA PHE A 55 -6.264 -13.210 -2.371 1.00 0.00 C ATOM 785 C PHE A 55 -7.705 -13.535 -2.756 1.00 0.00 C ATOM 786 O PHE A 55 -8.623 -13.379 -1.952 1.00 0.00 O ATOM 787 CB PHE A 55 -5.830 -11.902 -3.036 1.00 0.00 C ATOM 788 CG PHE A 55 -6.488 -10.685 -2.451 1.00 0.00 C ATOM 789 CD1 PHE A 55 -7.784 -10.346 -2.802 1.00 0.00 C ATOM 790 CD2 PHE A 55 -5.809 -9.880 -1.550 1.00 0.00 C ATOM 791 CE1 PHE A 55 -8.391 -9.226 -2.265 1.00 0.00 C ATOM 792 CE2 PHE A 55 -6.411 -8.759 -1.010 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.705 -8.433 -1.367 1.00 0.00 C ATOM 0 H PHE A 55 -4.499 -13.988 -3.192 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.213 -13.094 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.749 -11.799 -2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.058 -11.952 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.326 -10.963 -3.503 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.798 -10.132 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.402 -8.971 -2.548 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.871 -8.139 -0.310 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.179 -7.559 -0.944 1.00 0.00 H new ATOM 803 N SER A 56 -7.893 -13.988 -3.992 1.00 0.00 N ATOM 804 CA SER A 56 -9.221 -14.331 -4.485 1.00 0.00 C ATOM 805 C SER A 56 -9.930 -15.279 -3.523 1.00 0.00 C ATOM 806 O SER A 56 -9.316 -16.188 -2.965 1.00 0.00 O ATOM 807 CB SER A 56 -9.123 -14.972 -5.871 1.00 0.00 C ATOM 808 OG SER A 56 -8.830 -16.355 -5.774 1.00 0.00 O ATOM 0 H SER A 56 -7.143 -14.126 -4.669 1.00 0.00 H new ATOM 0 HA SER A 56 -9.803 -13.412 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.062 -14.833 -6.407 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.348 -14.473 -6.452 1.00 0.00 H new ATOM 0 HG SER A 56 -7.934 -16.474 -5.394 1.00 0.00 H new ATOM 814 N SER A 57 -11.228 -15.059 -3.334 1.00 0.00 N ATOM 815 CA SER A 57 -12.021 -15.891 -2.437 1.00 0.00 C ATOM 816 C SER A 57 -11.989 -17.351 -2.878 1.00 0.00 C ATOM 817 O SER A 57 -11.718 -18.246 -2.079 1.00 0.00 O ATOM 818 CB SER A 57 -13.467 -15.392 -2.391 1.00 0.00 C ATOM 819 OG SER A 57 -13.578 -14.224 -1.597 1.00 0.00 O ATOM 0 H SER A 57 -11.752 -14.312 -3.790 1.00 0.00 H new ATOM 0 HA SER A 57 -11.587 -15.822 -1.439 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.815 -15.182 -3.402 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.112 -16.173 -1.987 1.00 0.00 H new ATOM 0 HG SER A 57 -14.511 -13.924 -1.585 1.00 0.00 H new ATOM 825 N GLY A 58 -12.267 -17.583 -4.157 1.00 0.00 N ATOM 826 CA GLY A 58 -12.265 -18.935 -4.684 1.00 0.00 C ATOM 827 C GLY A 58 -13.438 -19.754 -4.183 1.00 0.00 C ATOM 828 O GLY A 58 -14.390 -19.227 -3.607 1.00 0.00 O ATOM 0 H GLY A 58 -12.494 -16.858 -4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.291 -18.897 -5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.335 -19.429 -4.404 1.00 0.00 H new ATOM 832 N PRO A 59 -13.379 -21.076 -4.405 1.00 0.00 N ATOM 833 CA PRO A 59 -14.438 -21.997 -3.981 1.00 0.00 C ATOM 834 C PRO A 59 -14.496 -22.155 -2.465 1.00 0.00 C ATOM 835 O PRO A 59 -13.764 -22.957 -1.886 1.00 0.00 O ATOM 836 CB PRO A 59 -14.042 -23.320 -4.641 1.00 0.00 C ATOM 837 CG PRO A 59 -12.566 -23.224 -4.826 1.00 0.00 C ATOM 838 CD PRO A 59 -12.275 -21.772 -5.086 1.00 0.00 C ATOM 0 HA PRO A 59 -15.427 -21.641 -4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -14.308 -24.171 -4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.553 -23.455 -5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.038 -23.575 -3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.236 -23.844 -5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.306 -21.478 -4.684 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.258 -21.550 -6.153 1.00 0.00 H new ATOM 846 N SER A 60 -15.372 -21.384 -1.828 1.00 0.00 N ATOM 847 CA SER A 60 -15.524 -21.436 -0.379 1.00 0.00 C ATOM 848 C SER A 60 -16.686 -22.344 0.013 1.00 0.00 C ATOM 849 O SER A 60 -17.812 -22.165 -0.450 1.00 0.00 O ATOM 850 CB SER A 60 -15.749 -20.031 0.182 1.00 0.00 C ATOM 851 OG SER A 60 -15.705 -20.034 1.599 1.00 0.00 O ATOM 0 H SER A 60 -15.987 -20.716 -2.293 1.00 0.00 H new ATOM 0 HA SER A 60 -14.606 -21.846 0.043 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.988 -19.355 -0.207 1.00 0.00 H new ATOM 0 HB3 SER A 60 -16.714 -19.652 -0.154 1.00 0.00 H new ATOM 0 HG SER A 60 -15.850 -19.124 1.933 1.00 0.00 H new ATOM 857 N SER A 61 -16.403 -23.319 0.871 1.00 0.00 N ATOM 858 CA SER A 61 -17.422 -24.259 1.324 1.00 0.00 C ATOM 859 C SER A 61 -18.061 -23.782 2.624 1.00 0.00 C ATOM 860 O SER A 61 -17.390 -23.652 3.648 1.00 0.00 O ATOM 861 CB SER A 61 -16.813 -25.649 1.521 1.00 0.00 C ATOM 862 OG SER A 61 -17.748 -26.535 2.111 1.00 0.00 O ATOM 0 H SER A 61 -15.476 -23.479 1.266 1.00 0.00 H new ATOM 0 HA SER A 61 -18.196 -24.315 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.487 -26.046 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.928 -25.576 2.153 1.00 0.00 H new ATOM 0 HG SER A 61 -17.336 -27.417 2.225 1.00 0.00 H new ATOM 868 N GLY A 62 -19.364 -23.522 2.576 1.00 0.00 N ATOM 869 CA GLY A 62 -20.073 -23.062 3.756 1.00 0.00 C ATOM 870 C GLY A 62 -21.413 -22.438 3.420 1.00 0.00 C ATOM 871 O GLY A 62 -21.466 -21.559 2.561 1.00 0.00 O ATOM 0 H GLY A 62 -19.941 -23.622 1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -20.226 -23.901 4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.458 -22.333 4.284 1.00 0.00 H new TER 875 GLY A 62 HETATM 876 ZN ZN A 101 2.659 -11.560 -1.408 1.00 0.00 ZN