USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 601 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 146:sc= 0.00803 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 0.496 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0452 X(o=-0.045,f=-0.045) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.56) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 27 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.54) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -3.76! C(o=-3.8!,f=-15!) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.05 K(o=-1,f=-6!) USER MOD Single : A 51 SER OG : rot -24:sc= 0.0168 USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= 1.19 (180deg=0.822) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0055 USER MOD Single : A 61 ASN : amide:sc= 0.159 K(o=0.16,f=-2.3!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0866 USER MOD Single : A 63 MET CE :methyl 146:sc= -0.661 (180deg=-2.27!) USER MOD Single : A 66 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.8!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.145 K(o=-0.14,f=-0.85) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.716 -4.996 -19.234 1.00 0.00 N ATOM 2 CA GLY A 1 -5.064 -5.501 -19.055 1.00 0.00 C ATOM 3 C GLY A 1 -5.087 -6.891 -18.450 1.00 0.00 C ATOM 4 O GLY A 1 -4.238 -7.725 -18.764 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.677 -4.405 -20.089 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.446 -4.427 -18.407 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.057 -5.794 -19.335 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.622 -4.819 -18.413 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.573 -5.519 -20.019 1.00 0.00 H new ATOM 8 N SER A 2 -6.060 -7.140 -17.580 1.00 0.00 N ATOM 9 CA SER A 2 -6.186 -8.437 -16.925 1.00 0.00 C ATOM 10 C SER A 2 -7.635 -8.707 -16.529 1.00 0.00 C ATOM 11 O SER A 2 -8.222 -7.968 -15.740 1.00 0.00 O ATOM 12 CB SER A 2 -5.288 -8.498 -15.689 1.00 0.00 C ATOM 13 OG SER A 2 -5.681 -7.537 -14.725 1.00 0.00 O ATOM 0 H SER A 2 -6.773 -6.461 -17.312 1.00 0.00 H new ATOM 0 HA SER A 2 -5.871 -9.205 -17.632 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.333 -9.496 -15.252 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.252 -8.324 -15.979 1.00 0.00 H new ATOM 0 HG SER A 2 -6.656 -7.442 -14.737 1.00 0.00 H new ATOM 19 N SER A 3 -8.205 -9.772 -17.084 1.00 0.00 N ATOM 20 CA SER A 3 -9.586 -10.138 -16.793 1.00 0.00 C ATOM 21 C SER A 3 -9.672 -10.950 -15.504 1.00 0.00 C ATOM 22 O SER A 3 -8.844 -11.823 -15.250 1.00 0.00 O ATOM 23 CB SER A 3 -10.179 -10.939 -17.954 1.00 0.00 C ATOM 24 OG SER A 3 -9.583 -12.221 -18.046 1.00 0.00 O ATOM 0 H SER A 3 -7.732 -10.396 -17.737 1.00 0.00 H new ATOM 0 HA SER A 3 -10.160 -9.220 -16.663 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.255 -11.044 -17.815 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.029 -10.397 -18.888 1.00 0.00 H new ATOM 0 HG SER A 3 -9.980 -12.714 -18.794 1.00 0.00 H new ATOM 30 N GLY A 4 -10.683 -10.654 -14.692 1.00 0.00 N ATOM 31 CA GLY A 4 -10.860 -11.364 -13.439 1.00 0.00 C ATOM 32 C GLY A 4 -12.294 -11.802 -13.218 1.00 0.00 C ATOM 33 O GLY A 4 -13.107 -11.777 -14.142 1.00 0.00 O ATOM 0 H GLY A 4 -11.382 -9.935 -14.880 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.210 -12.239 -13.426 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.548 -10.723 -12.615 1.00 0.00 H new ATOM 37 N SER A 5 -12.606 -12.204 -11.990 1.00 0.00 N ATOM 38 CA SER A 5 -13.951 -12.655 -11.652 1.00 0.00 C ATOM 39 C SER A 5 -14.534 -11.820 -10.516 1.00 0.00 C ATOM 40 O SER A 5 -13.817 -11.077 -9.846 1.00 0.00 O ATOM 41 CB SER A 5 -13.933 -14.132 -11.257 1.00 0.00 C ATOM 42 OG SER A 5 -14.126 -14.965 -12.387 1.00 0.00 O ATOM 0 H SER A 5 -11.946 -12.227 -11.213 1.00 0.00 H new ATOM 0 HA SER A 5 -14.581 -12.530 -12.533 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.982 -14.373 -10.782 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.714 -14.325 -10.522 1.00 0.00 H new ATOM 0 HG SER A 5 -14.109 -15.904 -12.108 1.00 0.00 H new ATOM 48 N SER A 6 -15.840 -11.949 -10.305 1.00 0.00 N ATOM 49 CA SER A 6 -16.521 -11.204 -9.253 1.00 0.00 C ATOM 50 C SER A 6 -17.591 -12.063 -8.584 1.00 0.00 C ATOM 51 O SER A 6 -18.026 -13.073 -9.136 1.00 0.00 O ATOM 52 CB SER A 6 -17.155 -9.935 -9.825 1.00 0.00 C ATOM 53 OG SER A 6 -16.175 -9.093 -10.406 1.00 0.00 O ATOM 0 H SER A 6 -16.447 -12.562 -10.849 1.00 0.00 H new ATOM 0 HA SER A 6 -15.781 -10.925 -8.503 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.900 -10.203 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.678 -9.398 -9.034 1.00 0.00 H new ATOM 0 HG SER A 6 -16.606 -8.290 -10.766 1.00 0.00 H new ATOM 59 N GLY A 7 -18.010 -11.653 -7.391 1.00 0.00 N ATOM 60 CA GLY A 7 -19.025 -12.395 -6.666 1.00 0.00 C ATOM 61 C GLY A 7 -18.811 -12.356 -5.166 1.00 0.00 C ATOM 62 O GLY A 7 -18.080 -13.179 -4.614 1.00 0.00 O ATOM 0 H GLY A 7 -17.665 -10.820 -6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.007 -11.985 -6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.023 -13.431 -7.003 1.00 0.00 H new ATOM 66 N ARG A 8 -19.448 -11.396 -4.504 1.00 0.00 N ATOM 67 CA ARG A 8 -19.322 -11.250 -3.059 1.00 0.00 C ATOM 68 C ARG A 8 -20.629 -10.756 -2.446 1.00 0.00 C ATOM 69 O ARG A 8 -21.426 -10.091 -3.108 1.00 0.00 O ATOM 70 CB ARG A 8 -18.188 -10.281 -2.720 1.00 0.00 C ATOM 71 CG ARG A 8 -16.819 -10.939 -2.670 1.00 0.00 C ATOM 72 CD ARG A 8 -16.744 -11.987 -1.571 1.00 0.00 C ATOM 73 NE ARG A 8 -15.379 -12.176 -1.087 1.00 0.00 N ATOM 74 CZ ARG A 8 -14.974 -13.260 -0.434 1.00 0.00 C ATOM 75 NH1 ARG A 8 -15.825 -14.247 -0.190 1.00 0.00 N ATOM 76 NH2 ARG A 8 -13.716 -13.359 -0.026 1.00 0.00 N ATOM 0 H ARG A 8 -20.057 -10.707 -4.946 1.00 0.00 H new ATOM 0 HA ARG A 8 -19.092 -12.229 -2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.171 -9.482 -3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.394 -9.817 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -16.602 -11.403 -3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.055 -10.180 -2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.385 -11.689 -0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -17.130 -12.935 -1.947 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.699 -11.435 -1.260 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.793 -14.175 -0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.512 -15.078 0.311 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.058 -12.602 -0.213 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.406 -14.192 0.475 1.00 0.00 H new ATOM 90 N THR A 9 -20.842 -11.085 -1.175 1.00 0.00 N ATOM 91 CA THR A 9 -22.052 -10.677 -0.473 1.00 0.00 C ATOM 92 C THR A 9 -21.809 -9.420 0.356 1.00 0.00 C ATOM 93 O THR A 9 -20.779 -9.290 1.017 1.00 0.00 O ATOM 94 CB THR A 9 -22.570 -11.795 0.451 1.00 0.00 C ATOM 95 OG1 THR A 9 -23.807 -11.398 1.055 1.00 0.00 O ATOM 96 CG2 THR A 9 -21.552 -12.117 1.534 1.00 0.00 C ATOM 0 H THR A 9 -20.192 -11.633 -0.611 1.00 0.00 H new ATOM 0 HA THR A 9 -22.804 -10.468 -1.234 1.00 0.00 H new ATOM 0 HB THR A 9 -22.731 -12.689 -0.152 1.00 0.00 H new ATOM 0 HG1 THR A 9 -24.131 -12.115 1.640 1.00 0.00 H new ATOM 0 HG21 THR A 9 -21.940 -12.909 2.174 1.00 0.00 H new ATOM 0 HG22 THR A 9 -20.621 -12.447 1.072 1.00 0.00 H new ATOM 0 HG23 THR A 9 -21.364 -11.226 2.133 1.00 0.00 H new ATOM 104 N HIS A 10 -22.765 -8.497 0.316 1.00 0.00 N ATOM 105 CA HIS A 10 -22.654 -7.250 1.065 1.00 0.00 C ATOM 106 C HIS A 10 -22.919 -7.483 2.549 1.00 0.00 C ATOM 107 O HIS A 10 -24.029 -7.842 2.945 1.00 0.00 O ATOM 108 CB HIS A 10 -23.635 -6.213 0.517 1.00 0.00 C ATOM 109 CG HIS A 10 -23.711 -6.192 -0.979 1.00 0.00 C ATOM 110 ND1 HIS A 10 -24.903 -6.193 -1.672 1.00 0.00 N ATOM 111 CD2 HIS A 10 -22.734 -6.168 -1.915 1.00 0.00 C ATOM 112 CE1 HIS A 10 -24.656 -6.172 -2.969 1.00 0.00 C ATOM 113 NE2 HIS A 10 -23.347 -6.156 -3.144 1.00 0.00 N ATOM 0 H HIS A 10 -23.624 -8.589 -0.226 1.00 0.00 H new ATOM 0 HA HIS A 10 -21.637 -6.874 0.950 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -24.627 -6.415 0.920 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -23.342 -5.225 0.872 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -21.670 -6.160 -1.730 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -25.398 -6.169 -3.753 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -22.869 -6.138 -4.045 1.00 0.00 H new ATOM 121 N THR A 11 -21.892 -7.278 3.368 1.00 0.00 N ATOM 122 CA THR A 11 -22.012 -7.467 4.808 1.00 0.00 C ATOM 123 C THR A 11 -22.188 -6.133 5.525 1.00 0.00 C ATOM 124 O THR A 11 -21.593 -5.900 6.577 1.00 0.00 O ATOM 125 CB THR A 11 -20.780 -8.189 5.385 1.00 0.00 C ATOM 126 OG1 THR A 11 -20.494 -9.362 4.615 1.00 0.00 O ATOM 127 CG2 THR A 11 -21.009 -8.574 6.838 1.00 0.00 C ATOM 0 H THR A 11 -20.967 -6.981 3.058 1.00 0.00 H new ATOM 0 HA THR A 11 -22.895 -8.084 4.973 1.00 0.00 H new ATOM 0 HB THR A 11 -19.931 -7.507 5.336 1.00 0.00 H new ATOM 0 HG1 THR A 11 -19.708 -9.814 4.987 1.00 0.00 H new ATOM 0 HG21 THR A 11 -20.125 -9.082 7.223 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.197 -7.676 7.427 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.869 -9.240 6.907 1.00 0.00 H new ATOM 135 N GLY A 12 -23.009 -5.260 4.949 1.00 0.00 N ATOM 136 CA GLY A 12 -23.248 -3.961 5.549 1.00 0.00 C ATOM 137 C GLY A 12 -23.246 -2.842 4.526 1.00 0.00 C ATOM 138 O GLY A 12 -23.326 -3.091 3.324 1.00 0.00 O ATOM 0 H GLY A 12 -23.512 -5.429 4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -24.207 -3.974 6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -22.483 -3.764 6.300 1.00 0.00 H new ATOM 142 N GLU A 13 -23.155 -1.605 5.005 1.00 0.00 N ATOM 143 CA GLU A 13 -23.146 -0.444 4.123 1.00 0.00 C ATOM 144 C GLU A 13 -21.772 0.220 4.112 1.00 0.00 C ATOM 145 O GLU A 13 -21.378 0.875 5.077 1.00 0.00 O ATOM 146 CB GLU A 13 -24.209 0.566 4.560 1.00 0.00 C ATOM 147 CG GLU A 13 -25.564 0.345 3.909 1.00 0.00 C ATOM 148 CD GLU A 13 -26.347 1.632 3.739 1.00 0.00 C ATOM 149 OE1 GLU A 13 -26.006 2.419 2.832 1.00 0.00 O ATOM 150 OE2 GLU A 13 -27.301 1.852 4.515 1.00 0.00 O ATOM 0 H GLU A 13 -23.087 -1.382 5.998 1.00 0.00 H new ATOM 0 HA GLU A 13 -23.374 -0.786 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -24.323 0.515 5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -23.861 1.572 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -25.423 -0.121 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -26.144 -0.352 4.514 1.00 0.00 H new ATOM 157 N LYS A 14 -21.045 0.045 3.013 1.00 0.00 N ATOM 158 CA LYS A 14 -19.716 0.627 2.874 1.00 0.00 C ATOM 159 C LYS A 14 -19.730 2.110 3.231 1.00 0.00 C ATOM 160 O LYS A 14 -20.228 2.949 2.481 1.00 0.00 O ATOM 161 CB LYS A 14 -19.202 0.441 1.444 1.00 0.00 C ATOM 162 CG LYS A 14 -18.941 -1.009 1.075 1.00 0.00 C ATOM 163 CD LYS A 14 -19.149 -1.253 -0.410 1.00 0.00 C ATOM 164 CE LYS A 14 -18.942 -2.716 -0.769 1.00 0.00 C ATOM 165 NZ LYS A 14 -20.197 -3.505 -0.631 1.00 0.00 N ATOM 0 H LYS A 14 -21.355 -0.496 2.205 1.00 0.00 H new ATOM 0 HA LYS A 14 -19.048 0.112 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -19.930 0.859 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -18.280 1.010 1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.921 -1.277 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -19.605 -1.656 1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -20.156 -0.947 -0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.456 -0.635 -0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.577 -2.790 -1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.173 -3.142 -0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.013 -4.497 -0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -20.532 -3.456 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -20.924 -3.115 -1.264 1.00 0.00 H new ATOM 179 N PRO A 15 -19.169 2.442 4.404 1.00 0.00 N ATOM 180 CA PRO A 15 -19.104 3.825 4.886 1.00 0.00 C ATOM 181 C PRO A 15 -18.137 4.678 4.071 1.00 0.00 C ATOM 182 O PRO A 15 -18.351 5.877 3.893 1.00 0.00 O ATOM 183 CB PRO A 15 -18.602 3.675 6.324 1.00 0.00 C ATOM 184 CG PRO A 15 -17.853 2.387 6.333 1.00 0.00 C ATOM 185 CD PRO A 15 -18.556 1.493 5.349 1.00 0.00 C ATOM 0 HA PRO A 15 -20.066 4.331 4.806 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -17.959 4.508 6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -19.430 3.656 7.032 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -16.812 2.539 6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -17.849 1.944 7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -17.860 0.820 4.848 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -19.306 0.870 5.836 1.00 0.00 H new ATOM 193 N TYR A 16 -17.075 4.052 3.578 1.00 0.00 N ATOM 194 CA TYR A 16 -16.075 4.754 2.782 1.00 0.00 C ATOM 195 C TYR A 16 -16.544 4.921 1.341 1.00 0.00 C ATOM 196 O TYR A 16 -16.661 3.948 0.597 1.00 0.00 O ATOM 197 CB TYR A 16 -14.745 3.998 2.813 1.00 0.00 C ATOM 198 CG TYR A 16 -14.173 3.835 4.203 1.00 0.00 C ATOM 199 CD1 TYR A 16 -14.614 2.819 5.043 1.00 0.00 C ATOM 200 CD2 TYR A 16 -13.192 4.697 4.677 1.00 0.00 C ATOM 201 CE1 TYR A 16 -14.094 2.667 6.314 1.00 0.00 C ATOM 202 CE2 TYR A 16 -12.665 4.551 5.946 1.00 0.00 C ATOM 203 CZ TYR A 16 -13.120 3.536 6.761 1.00 0.00 C ATOM 204 OH TYR A 16 -12.600 3.387 8.026 1.00 0.00 O ATOM 0 H TYR A 16 -16.884 3.060 3.715 1.00 0.00 H new ATOM 0 HA TYR A 16 -15.933 5.744 3.215 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -14.887 3.012 2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -14.022 4.526 2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -15.376 2.137 4.696 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.835 5.495 4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.448 1.872 6.954 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.901 5.228 6.298 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.924 4.078 8.185 1.00 0.00 H new ATOM 214 N ALA A 17 -16.811 6.164 0.953 1.00 0.00 N ATOM 215 CA ALA A 17 -17.265 6.461 -0.400 1.00 0.00 C ATOM 216 C ALA A 17 -16.287 7.386 -1.117 1.00 0.00 C ATOM 217 O ALA A 17 -16.053 8.515 -0.684 1.00 0.00 O ATOM 218 CB ALA A 17 -18.653 7.083 -0.366 1.00 0.00 C ATOM 0 H ALA A 17 -16.721 6.981 1.557 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.312 5.524 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.980 7.300 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -19.352 6.388 0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -18.623 8.008 0.210 1.00 0.00 H new ATOM 224 N CYS A 18 -15.718 6.901 -2.215 1.00 0.00 N ATOM 225 CA CYS A 18 -14.763 7.683 -2.992 1.00 0.00 C ATOM 226 C CYS A 18 -15.360 9.031 -3.388 1.00 0.00 C ATOM 227 O CYS A 18 -16.574 9.163 -3.542 1.00 0.00 O ATOM 228 CB CYS A 18 -14.340 6.913 -4.244 1.00 0.00 C ATOM 229 SG CYS A 18 -13.001 7.708 -5.189 1.00 0.00 S ATOM 0 H CYS A 18 -15.902 5.969 -2.587 1.00 0.00 H new ATOM 0 HA CYS A 18 -13.886 7.862 -2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -14.020 5.913 -3.952 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.207 6.793 -4.894 1.00 0.00 H new ATOM 234 N SER A 19 -14.497 10.028 -3.552 1.00 0.00 N ATOM 235 CA SER A 19 -14.937 11.367 -3.927 1.00 0.00 C ATOM 236 C SER A 19 -14.877 11.555 -5.440 1.00 0.00 C ATOM 237 O SER A 19 -15.735 12.212 -6.030 1.00 0.00 O ATOM 238 CB SER A 19 -14.074 12.424 -3.235 1.00 0.00 C ATOM 239 OG SER A 19 -14.609 12.770 -1.970 1.00 0.00 O ATOM 0 H SER A 19 -13.489 9.934 -3.431 1.00 0.00 H new ATOM 0 HA SER A 19 -15.971 11.486 -3.604 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.059 12.046 -3.113 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.010 13.313 -3.862 1.00 0.00 H new ATOM 0 HG SER A 19 -14.039 13.446 -1.547 1.00 0.00 H new ATOM 245 N HIS A 20 -13.856 10.974 -6.062 1.00 0.00 N ATOM 246 CA HIS A 20 -13.682 11.076 -7.506 1.00 0.00 C ATOM 247 C HIS A 20 -14.835 10.400 -8.241 1.00 0.00 C ATOM 248 O HIS A 20 -15.414 10.970 -9.167 1.00 0.00 O ATOM 249 CB HIS A 20 -12.354 10.446 -7.927 1.00 0.00 C ATOM 250 CG HIS A 20 -11.206 11.407 -7.920 1.00 0.00 C ATOM 251 ND1 HIS A 20 -10.927 12.239 -6.857 1.00 0.00 N ATOM 252 CD2 HIS A 20 -10.262 11.665 -8.856 1.00 0.00 C ATOM 253 CE1 HIS A 20 -9.862 12.968 -7.138 1.00 0.00 C ATOM 254 NE2 HIS A 20 -9.439 12.639 -8.345 1.00 0.00 N ATOM 0 H HIS A 20 -13.137 10.428 -5.588 1.00 0.00 H new ATOM 0 HA HIS A 20 -13.674 12.133 -7.772 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -12.127 9.616 -7.258 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -12.461 10.028 -8.928 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.173 11.193 -9.823 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -9.413 13.707 -6.491 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.632 13.043 -8.821 1.00 0.00 H new ATOM 262 N CYS A 21 -15.164 9.182 -7.824 1.00 0.00 N ATOM 263 CA CYS A 21 -16.247 8.428 -8.443 1.00 0.00 C ATOM 264 C CYS A 21 -17.332 8.098 -7.422 1.00 0.00 C ATOM 265 O CYS A 21 -17.275 8.540 -6.275 1.00 0.00 O ATOM 266 CB CYS A 21 -15.707 7.138 -9.065 1.00 0.00 C ATOM 267 SG CYS A 21 -15.025 5.958 -7.856 1.00 0.00 S ATOM 0 H CYS A 21 -14.696 8.696 -7.059 1.00 0.00 H new ATOM 0 HA CYS A 21 -16.686 9.046 -9.227 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -16.509 6.651 -9.619 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.930 7.392 -9.786 1.00 0.00 H new ATOM 272 N ASP A 22 -18.320 7.318 -7.849 1.00 0.00 N ATOM 273 CA ASP A 22 -19.418 6.928 -6.973 1.00 0.00 C ATOM 274 C ASP A 22 -19.244 5.491 -6.490 1.00 0.00 C ATOM 275 O ASP A 22 -20.142 4.661 -6.639 1.00 0.00 O ATOM 276 CB ASP A 22 -20.756 7.076 -7.699 1.00 0.00 C ATOM 277 CG ASP A 22 -21.922 6.564 -6.877 1.00 0.00 C ATOM 278 OD1 ASP A 22 -22.120 7.066 -5.750 1.00 0.00 O ATOM 279 OD2 ASP A 22 -22.637 5.661 -7.359 1.00 0.00 O ATOM 0 H ASP A 22 -18.382 6.944 -8.796 1.00 0.00 H new ATOM 0 HA ASP A 22 -19.409 7.588 -6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.920 8.126 -7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -20.715 6.533 -8.643 1.00 0.00 H new ATOM 284 N LYS A 23 -18.083 5.203 -5.913 1.00 0.00 N ATOM 285 CA LYS A 23 -17.789 3.867 -5.408 1.00 0.00 C ATOM 286 C LYS A 23 -17.652 3.877 -3.889 1.00 0.00 C ATOM 287 O LYS A 23 -17.240 4.876 -3.299 1.00 0.00 O ATOM 288 CB LYS A 23 -16.504 3.330 -6.043 1.00 0.00 C ATOM 289 CG LYS A 23 -16.679 2.882 -7.484 1.00 0.00 C ATOM 290 CD LYS A 23 -17.242 1.473 -7.565 1.00 0.00 C ATOM 291 CE LYS A 23 -17.097 0.895 -8.965 1.00 0.00 C ATOM 292 NZ LYS A 23 -17.697 -0.464 -9.068 1.00 0.00 N ATOM 0 H LYS A 23 -17.329 5.878 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 23 -18.620 3.214 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.738 4.104 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -16.140 2.490 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.346 3.572 -8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.718 2.921 -7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.726 0.832 -6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.294 1.484 -7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.577 1.559 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.041 0.847 -9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.578 -0.824 -10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.222 -1.105 -8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.710 -0.414 -8.839 1.00 0.00 H new ATOM 306 N THR A 24 -18.000 2.759 -3.260 1.00 0.00 N ATOM 307 CA THR A 24 -17.916 2.639 -1.810 1.00 0.00 C ATOM 308 C THR A 24 -17.141 1.390 -1.406 1.00 0.00 C ATOM 309 O THR A 24 -16.991 0.457 -2.196 1.00 0.00 O ATOM 310 CB THR A 24 -19.315 2.592 -1.168 1.00 0.00 C ATOM 311 OG1 THR A 24 -20.028 1.440 -1.632 1.00 0.00 O ATOM 312 CG2 THR A 24 -20.104 3.850 -1.498 1.00 0.00 C ATOM 0 H THR A 24 -18.343 1.923 -3.733 1.00 0.00 H new ATOM 0 HA THR A 24 -17.389 3.523 -1.450 1.00 0.00 H new ATOM 0 HB THR A 24 -19.193 2.532 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.916 1.416 -1.218 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.089 3.794 -1.034 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.573 4.723 -1.118 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.217 3.936 -2.579 1.00 0.00 H new ATOM 320 N PHE A 25 -16.652 1.377 -0.171 1.00 0.00 N ATOM 321 CA PHE A 25 -15.892 0.241 0.339 1.00 0.00 C ATOM 322 C PHE A 25 -16.073 0.098 1.847 1.00 0.00 C ATOM 323 O PHE A 25 -16.381 1.068 2.541 1.00 0.00 O ATOM 324 CB PHE A 25 -14.407 0.403 0.005 1.00 0.00 C ATOM 325 CG PHE A 25 -14.157 0.884 -1.395 1.00 0.00 C ATOM 326 CD1 PHE A 25 -14.418 2.198 -1.747 1.00 0.00 C ATOM 327 CD2 PHE A 25 -13.660 0.022 -2.360 1.00 0.00 C ATOM 328 CE1 PHE A 25 -14.188 2.645 -3.035 1.00 0.00 C ATOM 329 CE2 PHE A 25 -13.428 0.463 -3.649 1.00 0.00 C ATOM 330 CZ PHE A 25 -13.693 1.775 -3.987 1.00 0.00 C ATOM 0 H PHE A 25 -16.768 2.140 0.496 1.00 0.00 H new ATOM 0 HA PHE A 25 -16.269 -0.662 -0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.959 1.106 0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -13.904 -0.554 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.806 2.882 -1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.452 -1.006 -2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -14.395 3.672 -3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -13.040 -0.218 -4.391 1.00 0.00 H new ATOM 0 HZ PHE A 25 -13.514 2.121 -4.994 1.00 0.00 H new ATOM 340 N ARG A 26 -15.881 -1.118 2.348 1.00 0.00 N ATOM 341 CA ARG A 26 -16.025 -1.389 3.773 1.00 0.00 C ATOM 342 C ARG A 26 -14.879 -0.766 4.563 1.00 0.00 C ATOM 343 O ARG A 26 -15.103 0.011 5.492 1.00 0.00 O ATOM 344 CB ARG A 26 -16.071 -2.898 4.024 1.00 0.00 C ATOM 345 CG ARG A 26 -14.889 -3.650 3.435 1.00 0.00 C ATOM 346 CD ARG A 26 -15.288 -5.044 2.977 1.00 0.00 C ATOM 347 NE ARG A 26 -14.284 -5.639 2.099 1.00 0.00 N ATOM 348 CZ ARG A 26 -13.221 -6.302 2.541 1.00 0.00 C ATOM 349 NH1 ARG A 26 -13.025 -6.453 3.844 1.00 0.00 N ATOM 350 NH2 ARG A 26 -12.352 -6.815 1.680 1.00 0.00 N ATOM 0 H ARG A 26 -15.625 -1.931 1.788 1.00 0.00 H new ATOM 0 HA ARG A 26 -16.960 -0.942 4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -16.106 -3.078 5.098 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -16.993 -3.300 3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.484 -3.091 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.096 -3.723 4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.434 -5.684 3.847 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.243 -4.994 2.454 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.406 -5.540 1.091 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.691 -6.060 4.509 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.208 -6.962 4.181 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.500 -6.701 0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.536 -7.324 2.021 1.00 0.00 H new ATOM 364 N GLN A 27 -13.651 -1.112 4.189 1.00 0.00 N ATOM 365 CA GLN A 27 -12.470 -0.586 4.864 1.00 0.00 C ATOM 366 C GLN A 27 -11.782 0.473 4.010 1.00 0.00 C ATOM 367 O GLN A 27 -11.761 0.380 2.783 1.00 0.00 O ATOM 368 CB GLN A 27 -11.492 -1.719 5.180 1.00 0.00 C ATOM 369 CG GLN A 27 -11.930 -2.595 6.342 1.00 0.00 C ATOM 370 CD GLN A 27 -11.452 -2.071 7.681 1.00 0.00 C ATOM 371 OE1 GLN A 27 -10.303 -1.648 7.821 1.00 0.00 O ATOM 372 NE2 GLN A 27 -12.332 -2.095 8.675 1.00 0.00 N ATOM 0 H GLN A 27 -13.448 -1.754 3.423 1.00 0.00 H new ATOM 0 HA GLN A 27 -12.791 -0.122 5.796 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.371 -2.341 4.293 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.515 -1.292 5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.018 -2.663 6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.548 -3.605 6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.273 -2.454 8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.067 -1.754 9.599 1.00 0.00 H new ATOM 381 N LYS A 28 -11.219 1.482 4.668 1.00 0.00 N ATOM 382 CA LYS A 28 -10.528 2.560 3.971 1.00 0.00 C ATOM 383 C LYS A 28 -9.516 2.003 2.975 1.00 0.00 C ATOM 384 O LYS A 28 -9.503 2.392 1.807 1.00 0.00 O ATOM 385 CB LYS A 28 -9.821 3.474 4.975 1.00 0.00 C ATOM 386 CG LYS A 28 -9.385 4.803 4.385 1.00 0.00 C ATOM 387 CD LYS A 28 -8.558 5.608 5.373 1.00 0.00 C ATOM 388 CE LYS A 28 -8.029 6.888 4.746 1.00 0.00 C ATOM 389 NZ LYS A 28 -6.980 7.526 5.588 1.00 0.00 N ATOM 0 H LYS A 28 -11.228 1.575 5.684 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.271 3.139 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.489 3.661 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.947 2.957 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.803 4.627 3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.264 5.378 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.167 5.853 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.723 5.003 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.619 6.667 3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.852 7.588 4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.645 8.395 5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.378 7.760 6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.183 6.868 5.707 1.00 0.00 H new ATOM 403 N GLN A 29 -8.671 1.090 3.444 1.00 0.00 N ATOM 404 CA GLN A 29 -7.657 0.480 2.592 1.00 0.00 C ATOM 405 C GLN A 29 -8.193 0.253 1.183 1.00 0.00 C ATOM 406 O GLN A 29 -7.600 0.703 0.202 1.00 0.00 O ATOM 407 CB GLN A 29 -7.188 -0.846 3.192 1.00 0.00 C ATOM 408 CG GLN A 29 -5.968 -1.430 2.499 1.00 0.00 C ATOM 409 CD GLN A 29 -6.331 -2.301 1.312 1.00 0.00 C ATOM 410 OE1 GLN A 29 -7.414 -2.171 0.741 1.00 0.00 O ATOM 411 NE2 GLN A 29 -5.425 -3.195 0.934 1.00 0.00 N ATOM 0 H GLN A 29 -8.669 0.757 4.408 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.810 1.164 2.532 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.959 -0.697 4.247 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.004 -1.567 3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.322 -0.618 2.165 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.395 -2.019 3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.540 -3.268 1.436 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.614 -3.808 0.141 1.00 0.00 H new ATOM 420 N LEU A 30 -9.318 -0.447 1.090 1.00 0.00 N ATOM 421 CA LEU A 30 -9.936 -0.734 -0.201 1.00 0.00 C ATOM 422 C LEU A 30 -10.130 0.545 -1.008 1.00 0.00 C ATOM 423 O LEU A 30 -9.702 0.636 -2.160 1.00 0.00 O ATOM 424 CB LEU A 30 -11.282 -1.433 0.000 1.00 0.00 C ATOM 425 CG LEU A 30 -11.226 -2.944 0.227 1.00 0.00 C ATOM 426 CD1 LEU A 30 -10.232 -3.591 -0.725 1.00 0.00 C ATOM 427 CD2 LEU A 30 -10.862 -3.254 1.672 1.00 0.00 C ATOM 0 H LEU A 30 -9.821 -0.826 1.892 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.270 -1.394 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.782 -0.976 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.903 -1.240 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.214 -3.358 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.206 -4.666 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.536 -3.400 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.240 -3.172 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.827 -4.334 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.886 -2.826 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.612 -2.824 2.336 1.00 0.00 H new ATOM 439 N LEU A 31 -10.776 1.532 -0.397 1.00 0.00 N ATOM 440 CA LEU A 31 -11.024 2.808 -1.059 1.00 0.00 C ATOM 441 C LEU A 31 -9.716 3.539 -1.343 1.00 0.00 C ATOM 442 O LEU A 31 -9.663 4.434 -2.187 1.00 0.00 O ATOM 443 CB LEU A 31 -11.934 3.684 -0.195 1.00 0.00 C ATOM 444 CG LEU A 31 -11.959 5.173 -0.543 1.00 0.00 C ATOM 445 CD1 LEU A 31 -12.445 5.380 -1.969 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.839 5.935 0.438 1.00 0.00 C ATOM 0 H LEU A 31 -11.137 1.473 0.555 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.518 2.606 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.951 3.298 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.625 3.579 0.845 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.943 5.561 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.456 6.445 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.776 4.867 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.452 4.976 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.845 6.993 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.856 5.544 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.447 5.814 1.448 1.00 0.00 H new ATOM 458 N ASP A 32 -8.662 3.150 -0.635 1.00 0.00 N ATOM 459 CA ASP A 32 -7.352 3.765 -0.813 1.00 0.00 C ATOM 460 C ASP A 32 -6.639 3.185 -2.030 1.00 0.00 C ATOM 461 O ASP A 32 -6.059 3.918 -2.830 1.00 0.00 O ATOM 462 CB ASP A 32 -6.495 3.563 0.439 1.00 0.00 C ATOM 463 CG ASP A 32 -5.364 4.568 0.534 1.00 0.00 C ATOM 464 OD1 ASP A 32 -4.474 4.545 -0.343 1.00 0.00 O ATOM 465 OD2 ASP A 32 -5.368 5.377 1.485 1.00 0.00 O ATOM 0 H ASP A 32 -8.689 2.411 0.068 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.499 4.833 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.125 3.645 1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.082 2.554 0.434 1.00 0.00 H new ATOM 470 N MET A 33 -6.687 1.863 -2.163 1.00 0.00 N ATOM 471 CA MET A 33 -6.046 1.185 -3.284 1.00 0.00 C ATOM 472 C MET A 33 -6.850 1.374 -4.566 1.00 0.00 C ATOM 473 O MET A 33 -6.293 1.390 -5.663 1.00 0.00 O ATOM 474 CB MET A 33 -5.889 -0.307 -2.982 1.00 0.00 C ATOM 475 CG MET A 33 -7.213 -1.039 -2.828 1.00 0.00 C ATOM 476 SD MET A 33 -7.039 -2.827 -2.975 1.00 0.00 S ATOM 477 CE MET A 33 -8.309 -3.192 -4.185 1.00 0.00 C ATOM 0 H MET A 33 -7.162 1.241 -1.509 1.00 0.00 H new ATOM 0 HA MET A 33 -5.059 1.626 -3.427 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.317 -0.773 -3.784 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.309 -0.425 -2.066 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.646 -0.799 -1.857 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.911 -0.682 -3.585 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.326 -4.264 -4.383 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.279 -2.879 -3.800 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.095 -2.656 -5.110 1.00 0.00 H new ATOM 487 N HIS A 34 -8.164 1.517 -4.420 1.00 0.00 N ATOM 488 CA HIS A 34 -9.045 1.706 -5.567 1.00 0.00 C ATOM 489 C HIS A 34 -8.695 2.989 -6.315 1.00 0.00 C ATOM 490 O HIS A 34 -8.674 3.016 -7.546 1.00 0.00 O ATOM 491 CB HIS A 34 -10.504 1.747 -5.114 1.00 0.00 C ATOM 492 CG HIS A 34 -11.377 2.600 -5.983 1.00 0.00 C ATOM 493 ND1 HIS A 34 -12.182 2.085 -6.977 1.00 0.00 N ATOM 494 CD2 HIS A 34 -11.569 3.940 -6.002 1.00 0.00 C ATOM 495 CE1 HIS A 34 -12.830 3.071 -7.571 1.00 0.00 C ATOM 496 NE2 HIS A 34 -12.476 4.207 -6.997 1.00 0.00 N ATOM 0 H HIS A 34 -8.642 1.506 -3.519 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.906 0.863 -6.244 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -10.900 0.732 -5.100 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -10.548 2.120 -4.091 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -12.264 1.097 -7.216 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -11.096 4.664 -5.355 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -13.530 2.966 -8.387 1.00 0.00 H new ATOM 504 N PHE A 35 -8.422 4.050 -5.564 1.00 0.00 N ATOM 505 CA PHE A 35 -8.075 5.337 -6.156 1.00 0.00 C ATOM 506 C PHE A 35 -6.756 5.247 -6.919 1.00 0.00 C ATOM 507 O PHE A 35 -6.682 5.597 -8.097 1.00 0.00 O ATOM 508 CB PHE A 35 -7.976 6.411 -5.071 1.00 0.00 C ATOM 509 CG PHE A 35 -7.727 7.790 -5.613 1.00 0.00 C ATOM 510 CD1 PHE A 35 -6.541 8.089 -6.263 1.00 0.00 C ATOM 511 CD2 PHE A 35 -8.679 8.786 -5.473 1.00 0.00 C ATOM 512 CE1 PHE A 35 -6.309 9.357 -6.763 1.00 0.00 C ATOM 513 CE2 PHE A 35 -8.453 10.056 -5.971 1.00 0.00 C ATOM 514 CZ PHE A 35 -7.267 10.341 -6.617 1.00 0.00 C ATOM 0 H PHE A 35 -8.434 4.045 -4.544 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.863 5.610 -6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.900 6.418 -4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.172 6.149 -4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.789 7.323 -6.381 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.609 8.568 -4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.380 9.578 -7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.203 10.824 -5.855 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.088 11.332 -7.008 1.00 0.00 H new ATOM 524 N LYS A 36 -5.717 4.775 -6.239 1.00 0.00 N ATOM 525 CA LYS A 36 -4.401 4.637 -6.851 1.00 0.00 C ATOM 526 C LYS A 36 -4.399 3.523 -7.893 1.00 0.00 C ATOM 527 O LYS A 36 -3.412 3.325 -8.601 1.00 0.00 O ATOM 528 CB LYS A 36 -3.346 4.350 -5.780 1.00 0.00 C ATOM 529 CG LYS A 36 -2.778 5.602 -5.135 1.00 0.00 C ATOM 530 CD LYS A 36 -1.752 6.275 -6.031 1.00 0.00 C ATOM 531 CE LYS A 36 -0.455 5.483 -6.086 1.00 0.00 C ATOM 532 NZ LYS A 36 0.713 6.351 -6.405 1.00 0.00 N ATOM 0 H LYS A 36 -5.761 4.481 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.159 5.576 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.787 3.721 -5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.532 3.781 -6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.587 6.300 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.316 5.344 -4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.159 6.379 -7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.550 7.281 -5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.290 4.990 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.540 4.698 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.577 5.773 -6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.568 6.802 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.810 7.084 -5.674 1.00 0.00 H new ATOM 546 N ARG A 37 -5.511 2.800 -7.981 1.00 0.00 N ATOM 547 CA ARG A 37 -5.637 1.707 -8.937 1.00 0.00 C ATOM 548 C ARG A 37 -6.357 2.169 -10.201 1.00 0.00 C ATOM 549 O ARG A 37 -5.790 2.147 -11.293 1.00 0.00 O ATOM 550 CB ARG A 37 -6.392 0.535 -8.307 1.00 0.00 C ATOM 551 CG ARG A 37 -6.836 -0.514 -9.313 1.00 0.00 C ATOM 552 CD ARG A 37 -7.136 -1.843 -8.636 1.00 0.00 C ATOM 553 NE ARG A 37 -8.145 -2.611 -9.360 1.00 0.00 N ATOM 554 CZ ARG A 37 -7.909 -3.239 -10.506 1.00 0.00 C ATOM 555 NH1 ARG A 37 -6.704 -3.191 -11.056 1.00 0.00 N ATOM 556 NH2 ARG A 37 -8.880 -3.917 -11.105 1.00 0.00 N ATOM 0 H ARG A 37 -6.337 2.952 -7.402 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.634 1.380 -9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.754 0.063 -7.560 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.268 0.918 -7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.724 -0.163 -9.838 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.057 -0.654 -10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.219 -2.428 -8.563 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.480 -1.662 -7.618 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.083 -2.668 -8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.955 -2.671 -10.599 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.526 -3.674 -11.936 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.809 -3.956 -10.685 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.698 -4.399 -11.985 1.00 0.00 H new ATOM 570 N TYR A 38 -7.608 2.586 -10.043 1.00 0.00 N ATOM 571 CA TYR A 38 -8.407 3.051 -11.171 1.00 0.00 C ATOM 572 C TYR A 38 -7.944 4.429 -11.635 1.00 0.00 C ATOM 573 O TYR A 38 -7.444 4.587 -12.749 1.00 0.00 O ATOM 574 CB TYR A 38 -9.887 3.099 -10.789 1.00 0.00 C ATOM 575 CG TYR A 38 -10.540 1.737 -10.724 1.00 0.00 C ATOM 576 CD1 TYR A 38 -10.150 0.803 -9.773 1.00 0.00 C ATOM 577 CD2 TYR A 38 -11.547 1.385 -11.615 1.00 0.00 C ATOM 578 CE1 TYR A 38 -10.744 -0.443 -9.711 1.00 0.00 C ATOM 579 CE2 TYR A 38 -12.147 0.142 -11.559 1.00 0.00 C ATOM 580 CZ TYR A 38 -11.742 -0.769 -10.605 1.00 0.00 C ATOM 581 OH TYR A 38 -12.336 -2.009 -10.547 1.00 0.00 O ATOM 0 H TYR A 38 -8.091 2.612 -9.145 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.274 2.347 -11.993 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.988 3.588 -9.820 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.421 3.714 -11.513 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.369 1.055 -9.070 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -11.866 2.095 -12.364 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.428 -1.158 -8.966 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -12.929 -0.115 -12.258 1.00 0.00 H new ATOM 0 HH TYR A 38 -13.020 -2.077 -11.246 1.00 0.00 H new ATOM 591 N HIS A 39 -8.114 5.425 -10.771 1.00 0.00 N ATOM 592 CA HIS A 39 -7.714 6.791 -11.090 1.00 0.00 C ATOM 593 C HIS A 39 -6.217 6.865 -11.378 1.00 0.00 C ATOM 594 O HIS A 39 -5.719 7.878 -11.868 1.00 0.00 O ATOM 595 CB HIS A 39 -8.071 7.731 -9.939 1.00 0.00 C ATOM 596 CG HIS A 39 -9.534 7.759 -9.619 1.00 0.00 C ATOM 597 ND1 HIS A 39 -10.506 8.010 -10.564 1.00 0.00 N ATOM 598 CD2 HIS A 39 -10.188 7.564 -8.451 1.00 0.00 C ATOM 599 CE1 HIS A 39 -11.695 7.969 -9.991 1.00 0.00 C ATOM 600 NE2 HIS A 39 -11.530 7.700 -8.708 1.00 0.00 N ATOM 0 H HIS A 39 -8.526 5.312 -9.845 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.254 7.103 -11.984 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.519 7.428 -9.049 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.743 8.740 -10.190 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -10.334 8.198 -11.552 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.738 7.343 -7.494 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.641 8.128 -10.487 1.00 0.00 H new ATOM 608 N ASP A 40 -5.506 5.786 -11.070 1.00 0.00 N ATOM 609 CA ASP A 40 -4.067 5.728 -11.295 1.00 0.00 C ATOM 610 C ASP A 40 -3.641 4.330 -11.733 1.00 0.00 C ATOM 611 O ASP A 40 -3.744 3.360 -10.983 1.00 0.00 O ATOM 612 CB ASP A 40 -3.314 6.131 -10.027 1.00 0.00 C ATOM 613 CG ASP A 40 -3.673 7.527 -9.559 1.00 0.00 C ATOM 614 OD1 ASP A 40 -3.172 8.501 -10.159 1.00 0.00 O ATOM 615 OD2 ASP A 40 -4.454 7.646 -8.592 1.00 0.00 O ATOM 0 H ASP A 40 -5.903 4.939 -10.663 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.820 6.429 -12.092 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.536 5.417 -9.234 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.241 6.078 -10.213 1.00 0.00 H new ATOM 620 N PRO A 41 -3.152 4.223 -12.977 1.00 0.00 N ATOM 621 CA PRO A 41 -2.701 2.948 -13.543 1.00 0.00 C ATOM 622 C PRO A 41 -1.418 2.445 -12.890 1.00 0.00 C ATOM 623 O PRO A 41 -0.930 1.362 -13.212 1.00 0.00 O ATOM 624 CB PRO A 41 -2.455 3.281 -15.017 1.00 0.00 C ATOM 625 CG PRO A 41 -2.172 4.743 -15.033 1.00 0.00 C ATOM 626 CD PRO A 41 -3.000 5.338 -13.927 1.00 0.00 C ATOM 0 HA PRO A 41 -3.430 2.153 -13.387 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.616 2.711 -15.417 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.325 3.039 -15.628 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.111 4.937 -14.874 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.435 5.181 -15.996 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.503 6.192 -13.468 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.965 5.689 -14.292 1.00 0.00 H new ATOM 634 N ASN A 42 -0.877 3.238 -11.970 1.00 0.00 N ATOM 635 CA ASN A 42 0.349 2.872 -11.272 1.00 0.00 C ATOM 636 C ASN A 42 0.129 1.646 -10.391 1.00 0.00 C ATOM 637 O ASN A 42 0.741 0.599 -10.603 1.00 0.00 O ATOM 638 CB ASN A 42 0.844 4.043 -10.421 1.00 0.00 C ATOM 639 CG ASN A 42 0.778 5.365 -11.161 1.00 0.00 C ATOM 640 OD1 ASN A 42 -0.275 6.000 -11.227 1.00 0.00 O ATOM 641 ND2 ASN A 42 1.905 5.785 -11.723 1.00 0.00 N ATOM 0 H ASN A 42 -1.269 4.138 -11.691 1.00 0.00 H new ATOM 0 HA ASN A 42 1.104 2.629 -12.019 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.244 4.108 -9.513 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.872 3.854 -10.111 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.922 6.667 -12.235 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.754 5.226 -11.643 1.00 0.00 H new ATOM 648 N PHE A 43 -0.749 1.784 -9.403 1.00 0.00 N ATOM 649 CA PHE A 43 -1.050 0.688 -8.490 1.00 0.00 C ATOM 650 C PHE A 43 -1.525 -0.544 -9.256 1.00 0.00 C ATOM 651 O PHE A 43 -2.450 -0.468 -10.064 1.00 0.00 O ATOM 652 CB PHE A 43 -2.117 1.116 -7.480 1.00 0.00 C ATOM 653 CG PHE A 43 -2.289 0.149 -6.344 1.00 0.00 C ATOM 654 CD1 PHE A 43 -2.774 -1.129 -6.571 1.00 0.00 C ATOM 655 CD2 PHE A 43 -1.967 0.518 -5.047 1.00 0.00 C ATOM 656 CE1 PHE A 43 -2.934 -2.021 -5.528 1.00 0.00 C ATOM 657 CE2 PHE A 43 -2.124 -0.370 -4.000 1.00 0.00 C ATOM 658 CZ PHE A 43 -2.609 -1.641 -4.241 1.00 0.00 C ATOM 0 H PHE A 43 -1.264 2.644 -9.214 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.135 0.432 -7.956 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.853 2.094 -7.077 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.070 1.230 -7.997 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.030 -1.432 -7.576 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.589 1.511 -4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.313 -3.014 -5.719 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.868 -0.071 -2.994 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.734 -2.336 -3.424 1.00 0.00 H new ATOM 668 N VAL A 44 -0.883 -1.678 -8.996 1.00 0.00 N ATOM 669 CA VAL A 44 -1.238 -2.927 -9.659 1.00 0.00 C ATOM 670 C VAL A 44 -1.286 -4.083 -8.666 1.00 0.00 C ATOM 671 O VAL A 44 -0.295 -4.419 -8.019 1.00 0.00 O ATOM 672 CB VAL A 44 -0.241 -3.270 -10.782 1.00 0.00 C ATOM 673 CG1 VAL A 44 1.166 -3.414 -10.220 1.00 0.00 C ATOM 674 CG2 VAL A 44 -0.667 -4.539 -11.504 1.00 0.00 C ATOM 0 H VAL A 44 -0.114 -1.758 -8.331 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.228 -2.784 -10.093 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.238 -2.453 -11.503 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.857 -3.656 -11.027 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.469 -2.477 -9.752 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.181 -4.212 -9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.049 -4.766 -12.294 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.700 -5.367 -10.796 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.655 -4.395 -11.940 1.00 0.00 H new ATOM 684 N PRO A 45 -2.467 -4.707 -8.542 1.00 0.00 N ATOM 685 CA PRO A 45 -2.673 -5.836 -7.630 1.00 0.00 C ATOM 686 C PRO A 45 -1.946 -7.094 -8.091 1.00 0.00 C ATOM 687 O PRO A 45 -2.060 -7.500 -9.248 1.00 0.00 O ATOM 688 CB PRO A 45 -4.188 -6.050 -7.667 1.00 0.00 C ATOM 689 CG PRO A 45 -4.615 -5.509 -8.988 1.00 0.00 C ATOM 690 CD PRO A 45 -3.691 -4.359 -9.282 1.00 0.00 C ATOM 0 HA PRO A 45 -2.282 -5.631 -6.633 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.441 -7.106 -7.571 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.682 -5.528 -6.847 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.547 -6.272 -9.763 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.653 -5.178 -8.957 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.500 -4.260 -10.351 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.109 -3.411 -8.944 1.00 0.00 H new ATOM 698 N ALA A 46 -1.199 -7.708 -7.180 1.00 0.00 N ATOM 699 CA ALA A 46 -0.455 -8.922 -7.493 1.00 0.00 C ATOM 700 C ALA A 46 -1.370 -10.142 -7.493 1.00 0.00 C ATOM 701 O ALA A 46 -1.837 -10.579 -6.442 1.00 0.00 O ATOM 702 CB ALA A 46 0.684 -9.114 -6.502 1.00 0.00 C ATOM 0 H ALA A 46 -1.093 -7.385 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.037 -8.814 -8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.231 -10.024 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.359 -8.260 -6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.279 -9.195 -5.493 1.00 0.00 H new ATOM 708 N ALA A 47 -1.621 -10.687 -8.679 1.00 0.00 N ATOM 709 CA ALA A 47 -2.479 -11.857 -8.815 1.00 0.00 C ATOM 710 C ALA A 47 -1.670 -13.088 -9.211 1.00 0.00 C ATOM 711 O ALA A 47 -1.199 -13.196 -10.343 1.00 0.00 O ATOM 712 CB ALA A 47 -3.575 -11.592 -9.837 1.00 0.00 C ATOM 0 H ALA A 47 -1.242 -10.337 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.940 -12.053 -7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.208 -12.474 -9.928 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.178 -10.744 -9.512 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.124 -11.367 -10.804 1.00 0.00 H new ATOM 718 N PHE A 48 -1.513 -14.014 -8.271 1.00 0.00 N ATOM 719 CA PHE A 48 -0.759 -15.237 -8.521 1.00 0.00 C ATOM 720 C PHE A 48 -1.532 -16.460 -8.038 1.00 0.00 C ATOM 721 O PHE A 48 -1.726 -16.653 -6.838 1.00 0.00 O ATOM 722 CB PHE A 48 0.603 -15.173 -7.826 1.00 0.00 C ATOM 723 CG PHE A 48 1.464 -14.036 -8.297 1.00 0.00 C ATOM 724 CD1 PHE A 48 1.342 -12.777 -7.732 1.00 0.00 C ATOM 725 CD2 PHE A 48 2.395 -14.227 -9.306 1.00 0.00 C ATOM 726 CE1 PHE A 48 2.133 -11.729 -8.165 1.00 0.00 C ATOM 727 CE2 PHE A 48 3.189 -13.183 -9.742 1.00 0.00 C ATOM 728 CZ PHE A 48 3.058 -11.933 -9.170 1.00 0.00 C ATOM 0 H PHE A 48 -1.898 -13.941 -7.329 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.606 -15.327 -9.596 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.449 -15.080 -6.751 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.131 -16.112 -7.993 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.621 -12.612 -6.945 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.501 -15.203 -9.757 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.028 -10.752 -7.718 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.911 -13.345 -10.529 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.678 -11.116 -9.508 1.00 0.00 H new ATOM 738 N VAL A 49 -1.972 -17.285 -8.983 1.00 0.00 N ATOM 739 CA VAL A 49 -2.724 -18.491 -8.656 1.00 0.00 C ATOM 740 C VAL A 49 -1.964 -19.744 -9.076 1.00 0.00 C ATOM 741 O VAL A 49 -1.319 -19.770 -10.125 1.00 0.00 O ATOM 742 CB VAL A 49 -4.107 -18.492 -9.334 1.00 0.00 C ATOM 743 CG1 VAL A 49 -3.960 -18.500 -10.848 1.00 0.00 C ATOM 744 CG2 VAL A 49 -4.930 -19.682 -8.863 1.00 0.00 C ATOM 0 H VAL A 49 -1.821 -17.140 -9.981 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.858 -18.496 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.633 -17.580 -9.049 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.948 -18.501 -11.309 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.412 -17.613 -11.165 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.415 -19.392 -11.156 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.904 -19.667 -9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.411 -20.606 -9.116 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.065 -19.626 -7.783 1.00 0.00 H new ATOM 754 N CYS A 50 -2.043 -20.782 -8.251 1.00 0.00 N ATOM 755 CA CYS A 50 -1.363 -22.040 -8.535 1.00 0.00 C ATOM 756 C CYS A 50 -1.888 -22.663 -9.825 1.00 0.00 C ATOM 757 O CYS A 50 -3.011 -22.386 -10.248 1.00 0.00 O ATOM 758 CB CYS A 50 -1.545 -23.017 -7.372 1.00 0.00 C ATOM 759 SG CYS A 50 -0.499 -24.505 -7.480 1.00 0.00 S ATOM 0 H CYS A 50 -2.572 -20.777 -7.379 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.301 -21.830 -8.660 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.326 -22.499 -6.438 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.590 -23.323 -7.329 1.00 0.00 H new ATOM 764 N SER A 51 -1.069 -23.506 -10.445 1.00 0.00 N ATOM 765 CA SER A 51 -1.449 -24.166 -11.689 1.00 0.00 C ATOM 766 C SER A 51 -1.814 -25.626 -11.440 1.00 0.00 C ATOM 767 O SER A 51 -2.498 -26.254 -12.247 1.00 0.00 O ATOM 768 CB SER A 51 -0.310 -24.079 -12.706 1.00 0.00 C ATOM 769 OG SER A 51 -0.643 -24.759 -13.904 1.00 0.00 O ATOM 0 H SER A 51 -0.138 -23.748 -10.106 1.00 0.00 H new ATOM 0 HA SER A 51 -2.324 -23.655 -12.090 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.093 -23.034 -12.926 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.596 -24.509 -12.280 1.00 0.00 H new ATOM 0 HG SER A 51 -1.318 -25.443 -13.715 1.00 0.00 H new ATOM 775 N LYS A 52 -1.351 -26.161 -10.315 1.00 0.00 N ATOM 776 CA LYS A 52 -1.628 -27.546 -9.955 1.00 0.00 C ATOM 777 C LYS A 52 -3.030 -27.687 -9.370 1.00 0.00 C ATOM 778 O LYS A 52 -3.811 -28.536 -9.801 1.00 0.00 O ATOM 779 CB LYS A 52 -0.591 -28.051 -8.949 1.00 0.00 C ATOM 780 CG LYS A 52 0.789 -28.255 -9.550 1.00 0.00 C ATOM 781 CD LYS A 52 1.836 -28.489 -8.474 1.00 0.00 C ATOM 782 CE LYS A 52 3.234 -28.158 -8.974 1.00 0.00 C ATOM 783 NZ LYS A 52 4.279 -28.946 -8.264 1.00 0.00 N ATOM 0 H LYS A 52 -0.782 -25.655 -9.636 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.569 -28.149 -10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.518 -27.340 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.937 -28.994 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.768 -29.106 -10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.062 -27.381 -10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.606 -27.877 -7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.801 -29.529 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.293 -28.357 -10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.426 -27.094 -8.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.186 -28.848 -8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.379 -28.593 -7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.003 -29.948 -8.242 1.00 0.00 H new ATOM 797 N CYS A 53 -3.342 -26.850 -8.387 1.00 0.00 N ATOM 798 CA CYS A 53 -4.650 -26.880 -7.743 1.00 0.00 C ATOM 799 C CYS A 53 -5.520 -25.722 -8.224 1.00 0.00 C ATOM 800 O CYS A 53 -6.706 -25.895 -8.501 1.00 0.00 O ATOM 801 CB CYS A 53 -4.494 -26.818 -6.222 1.00 0.00 C ATOM 802 SG CYS A 53 -3.553 -25.375 -5.629 1.00 0.00 S ATOM 0 H CYS A 53 -2.707 -26.142 -8.018 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.139 -27.816 -8.014 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.484 -26.805 -5.766 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.998 -27.727 -5.881 1.00 0.00 H new ATOM 807 N GLY A 54 -4.920 -24.539 -8.321 1.00 0.00 N ATOM 808 CA GLY A 54 -5.654 -23.369 -8.768 1.00 0.00 C ATOM 809 C GLY A 54 -5.981 -22.420 -7.633 1.00 0.00 C ATOM 810 O GLY A 54 -6.935 -21.646 -7.715 1.00 0.00 O ATOM 0 H GLY A 54 -3.939 -24.370 -8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.067 -22.842 -9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.579 -23.686 -9.250 1.00 0.00 H new ATOM 814 N LYS A 55 -5.190 -22.480 -6.567 1.00 0.00 N ATOM 815 CA LYS A 55 -5.399 -21.620 -5.408 1.00 0.00 C ATOM 816 C LYS A 55 -4.884 -20.210 -5.677 1.00 0.00 C ATOM 817 O LYS A 55 -3.835 -20.028 -6.296 1.00 0.00 O ATOM 818 CB LYS A 55 -4.698 -22.205 -4.180 1.00 0.00 C ATOM 819 CG LYS A 55 -5.574 -23.146 -3.370 1.00 0.00 C ATOM 820 CD LYS A 55 -4.743 -24.036 -2.461 1.00 0.00 C ATOM 821 CE LYS A 55 -5.602 -24.700 -1.395 1.00 0.00 C ATOM 822 NZ LYS A 55 -5.717 -23.858 -0.172 1.00 0.00 N ATOM 0 H LYS A 55 -4.397 -23.116 -6.482 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.471 -21.566 -5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.805 -22.741 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.366 -21.389 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.276 -22.566 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.166 -23.765 -4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.244 -24.801 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.963 -23.443 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.596 -24.893 -1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.172 -25.666 -1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.310 -24.345 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.771 -23.695 0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.151 -22.946 -0.418 1.00 0.00 H new ATOM 836 N THR A 56 -5.628 -19.213 -5.208 1.00 0.00 N ATOM 837 CA THR A 56 -5.247 -17.820 -5.397 1.00 0.00 C ATOM 838 C THR A 56 -4.333 -17.342 -4.274 1.00 0.00 C ATOM 839 O THR A 56 -4.591 -17.601 -3.099 1.00 0.00 O ATOM 840 CB THR A 56 -6.483 -16.903 -5.464 1.00 0.00 C ATOM 841 OG1 THR A 56 -7.423 -17.274 -4.449 1.00 0.00 O ATOM 842 CG2 THR A 56 -7.145 -16.985 -6.830 1.00 0.00 C ATOM 0 H THR A 56 -6.499 -19.346 -4.694 1.00 0.00 H new ATOM 0 HA THR A 56 -4.712 -17.765 -6.345 1.00 0.00 H new ATOM 0 HB THR A 56 -6.156 -15.876 -5.298 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.205 -16.686 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.015 -16.329 -6.853 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.436 -16.674 -7.597 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.459 -18.011 -7.021 1.00 0.00 H new ATOM 850 N PHE A 57 -3.265 -16.643 -4.644 1.00 0.00 N ATOM 851 CA PHE A 57 -2.313 -16.129 -3.666 1.00 0.00 C ATOM 852 C PHE A 57 -2.152 -14.618 -3.806 1.00 0.00 C ATOM 853 O PHE A 57 -2.610 -14.020 -4.781 1.00 0.00 O ATOM 854 CB PHE A 57 -0.956 -16.815 -3.835 1.00 0.00 C ATOM 855 CG PHE A 57 -0.944 -18.243 -3.369 1.00 0.00 C ATOM 856 CD1 PHE A 57 -1.778 -19.183 -3.952 1.00 0.00 C ATOM 857 CD2 PHE A 57 -0.099 -18.645 -2.347 1.00 0.00 C ATOM 858 CE1 PHE A 57 -1.770 -20.498 -3.525 1.00 0.00 C ATOM 859 CE2 PHE A 57 -0.086 -19.958 -1.916 1.00 0.00 C ATOM 860 CZ PHE A 57 -0.923 -20.885 -2.505 1.00 0.00 C ATOM 0 H PHE A 57 -3.037 -16.420 -5.613 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.701 -16.345 -2.670 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.669 -16.782 -4.886 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.203 -16.254 -3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.442 -18.885 -4.750 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.557 -17.924 -1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.425 -21.221 -3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.578 -20.259 -1.119 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.915 -21.911 -2.169 1.00 0.00 H new ATOM 870 N THR A 58 -1.497 -14.005 -2.825 1.00 0.00 N ATOM 871 CA THR A 58 -1.277 -12.564 -2.837 1.00 0.00 C ATOM 872 C THR A 58 0.142 -12.229 -3.281 1.00 0.00 C ATOM 873 O THR A 58 0.370 -11.226 -3.958 1.00 0.00 O ATOM 874 CB THR A 58 -1.527 -11.946 -1.448 1.00 0.00 C ATOM 875 OG1 THR A 58 -0.916 -12.754 -0.435 1.00 0.00 O ATOM 876 CG2 THR A 58 -3.017 -11.820 -1.172 1.00 0.00 C ATOM 0 H THR A 58 -1.110 -14.484 -2.012 1.00 0.00 H new ATOM 0 HA THR A 58 -1.987 -12.141 -3.548 1.00 0.00 H new ATOM 0 HB THR A 58 -1.085 -10.950 -1.433 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.078 -12.354 0.445 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.169 -11.381 -0.186 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.474 -11.181 -1.928 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.478 -12.807 -1.205 1.00 0.00 H new ATOM 884 N ARG A 59 1.093 -13.074 -2.897 1.00 0.00 N ATOM 885 CA ARG A 59 2.491 -12.866 -3.256 1.00 0.00 C ATOM 886 C ARG A 59 3.020 -14.036 -4.080 1.00 0.00 C ATOM 887 O ARG A 59 2.601 -15.179 -3.894 1.00 0.00 O ATOM 888 CB ARG A 59 3.342 -12.688 -1.998 1.00 0.00 C ATOM 889 CG ARG A 59 2.991 -11.446 -1.196 1.00 0.00 C ATOM 890 CD ARG A 59 3.763 -11.391 0.113 1.00 0.00 C ATOM 891 NE ARG A 59 5.133 -10.922 -0.078 1.00 0.00 N ATOM 892 CZ ARG A 59 5.921 -10.530 0.917 1.00 0.00 C ATOM 893 NH1 ARG A 59 5.478 -10.552 2.166 1.00 0.00 N ATOM 894 NH2 ARG A 59 7.156 -10.116 0.663 1.00 0.00 N ATOM 0 H ARG A 59 0.921 -13.909 -2.337 1.00 0.00 H new ATOM 0 HA ARG A 59 2.554 -11.961 -3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.224 -13.566 -1.363 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.393 -12.640 -2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.210 -10.556 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.921 -11.436 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.248 -10.730 0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.779 -12.382 0.566 1.00 0.00 H new ATOM 0 HE ARG A 59 5.505 -10.894 -1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.530 -10.871 2.365 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.085 -10.250 2.928 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.501 -10.099 -0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.760 -9.815 1.428 1.00 0.00 H new ATOM 908 N ARG A 60 3.942 -13.743 -4.991 1.00 0.00 N ATOM 909 CA ARG A 60 4.527 -14.770 -5.844 1.00 0.00 C ATOM 910 C ARG A 60 5.352 -15.756 -5.021 1.00 0.00 C ATOM 911 O ARG A 60 5.040 -16.944 -4.963 1.00 0.00 O ATOM 912 CB ARG A 60 5.405 -14.130 -6.922 1.00 0.00 C ATOM 913 CG ARG A 60 6.205 -15.135 -7.732 1.00 0.00 C ATOM 914 CD ARG A 60 6.543 -14.595 -9.113 1.00 0.00 C ATOM 915 NE ARG A 60 7.750 -13.773 -9.100 1.00 0.00 N ATOM 916 CZ ARG A 60 8.965 -14.255 -8.863 1.00 0.00 C ATOM 917 NH1 ARG A 60 9.133 -15.548 -8.622 1.00 0.00 N ATOM 918 NH2 ARG A 60 10.014 -13.444 -8.867 1.00 0.00 N ATOM 0 H ARG A 60 4.300 -12.802 -5.157 1.00 0.00 H new ATOM 0 HA ARG A 60 3.713 -15.314 -6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.774 -13.552 -7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.092 -13.428 -6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.125 -15.382 -7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.636 -16.060 -7.831 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.679 -15.427 -9.804 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.706 -14.004 -9.486 1.00 0.00 H new ATOM 0 HE ARG A 60 7.655 -12.774 -9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.328 -16.175 -8.618 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.067 -15.916 -8.440 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.889 -12.449 -9.052 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.946 -13.815 -8.685 1.00 0.00 H new ATOM 932 N ASN A 61 6.406 -15.253 -4.387 1.00 0.00 N ATOM 933 CA ASN A 61 7.276 -16.089 -3.569 1.00 0.00 C ATOM 934 C ASN A 61 6.459 -17.068 -2.731 1.00 0.00 C ATOM 935 O ASN A 61 6.866 -18.211 -2.519 1.00 0.00 O ATOM 936 CB ASN A 61 8.143 -15.219 -2.656 1.00 0.00 C ATOM 937 CG ASN A 61 9.090 -14.328 -3.435 1.00 0.00 C ATOM 938 OD1 ASN A 61 8.662 -13.420 -4.147 1.00 0.00 O ATOM 939 ND2 ASN A 61 10.387 -14.585 -3.303 1.00 0.00 N ATOM 0 H ASN A 61 6.678 -14.271 -4.424 1.00 0.00 H new ATOM 0 HA ASN A 61 7.922 -16.660 -4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.500 -14.601 -2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.718 -15.860 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.073 -14.019 -3.803 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.697 -15.348 -2.702 1.00 0.00 H new ATOM 946 N THR A 62 5.304 -16.612 -2.257 1.00 0.00 N ATOM 947 CA THR A 62 4.429 -17.447 -1.443 1.00 0.00 C ATOM 948 C THR A 62 3.771 -18.536 -2.282 1.00 0.00 C ATOM 949 O THR A 62 3.653 -19.681 -1.847 1.00 0.00 O ATOM 950 CB THR A 62 3.333 -16.610 -0.758 1.00 0.00 C ATOM 951 OG1 THR A 62 3.925 -15.529 -0.029 1.00 0.00 O ATOM 952 CG2 THR A 62 2.505 -17.470 0.185 1.00 0.00 C ATOM 0 H THR A 62 4.953 -15.669 -2.423 1.00 0.00 H new ATOM 0 HA THR A 62 5.054 -17.909 -0.679 1.00 0.00 H new ATOM 0 HB THR A 62 2.677 -16.210 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.221 -15.001 0.402 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.737 -16.857 0.657 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.032 -18.275 -0.378 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.152 -17.896 0.952 1.00 0.00 H new ATOM 960 N MET A 63 3.345 -18.172 -3.487 1.00 0.00 N ATOM 961 CA MET A 63 2.701 -19.121 -4.388 1.00 0.00 C ATOM 962 C MET A 63 3.711 -20.126 -4.933 1.00 0.00 C ATOM 963 O MET A 63 3.505 -21.336 -4.846 1.00 0.00 O ATOM 964 CB MET A 63 2.026 -18.381 -5.544 1.00 0.00 C ATOM 965 CG MET A 63 0.807 -19.102 -6.098 1.00 0.00 C ATOM 966 SD MET A 63 0.489 -18.701 -7.827 1.00 0.00 S ATOM 967 CE MET A 63 2.096 -19.026 -8.550 1.00 0.00 C ATOM 0 H MET A 63 3.434 -17.228 -3.862 1.00 0.00 H new ATOM 0 HA MET A 63 1.944 -19.664 -3.822 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.728 -17.389 -5.205 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.750 -18.240 -6.346 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.950 -20.178 -5.999 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.067 -18.840 -5.502 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.969 -19.414 -9.561 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.672 -18.102 -8.586 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.626 -19.760 -7.943 1.00 0.00 H new ATOM 977 N ALA A 64 4.802 -19.616 -5.494 1.00 0.00 N ATOM 978 CA ALA A 64 5.844 -20.469 -6.051 1.00 0.00 C ATOM 979 C ALA A 64 6.239 -21.567 -5.068 1.00 0.00 C ATOM 980 O ALA A 64 6.357 -22.734 -5.441 1.00 0.00 O ATOM 981 CB ALA A 64 7.060 -19.637 -6.433 1.00 0.00 C ATOM 0 H ALA A 64 4.987 -18.616 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 64 5.448 -20.946 -6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.830 -20.287 -6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.773 -18.894 -7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.449 -19.133 -5.548 1.00 0.00 H new ATOM 987 N ARG A 65 6.442 -21.184 -3.812 1.00 0.00 N ATOM 988 CA ARG A 65 6.826 -22.135 -2.776 1.00 0.00 C ATOM 989 C ARG A 65 5.731 -23.175 -2.560 1.00 0.00 C ATOM 990 O ARG A 65 6.011 -24.363 -2.398 1.00 0.00 O ATOM 991 CB ARG A 65 7.115 -21.404 -1.464 1.00 0.00 C ATOM 992 CG ARG A 65 8.332 -20.495 -1.529 1.00 0.00 C ATOM 993 CD ARG A 65 8.402 -19.571 -0.323 1.00 0.00 C ATOM 994 NE ARG A 65 9.728 -18.982 -0.160 1.00 0.00 N ATOM 995 CZ ARG A 65 10.003 -18.020 0.713 1.00 0.00 C ATOM 996 NH1 ARG A 65 9.049 -17.541 1.499 1.00 0.00 N ATOM 997 NH2 ARG A 65 11.235 -17.536 0.802 1.00 0.00 N ATOM 0 H ARG A 65 6.347 -20.222 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 65 7.730 -22.647 -3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.243 -20.811 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.263 -22.139 -0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.237 -21.100 -1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.296 -19.901 -2.442 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.664 -18.777 -0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.140 -20.129 0.576 1.00 0.00 H new ATOM 0 HE ARG A 65 10.485 -19.329 -0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.101 -17.911 1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.263 -16.802 2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.972 -17.903 0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.445 -16.797 1.473 1.00 0.00 H new ATOM 1011 N HIS A 66 4.482 -22.720 -2.560 1.00 0.00 N ATOM 1012 CA HIS A 66 3.344 -23.611 -2.364 1.00 0.00 C ATOM 1013 C HIS A 66 3.235 -24.614 -3.509 1.00 0.00 C ATOM 1014 O HIS A 66 3.063 -25.811 -3.284 1.00 0.00 O ATOM 1015 CB HIS A 66 2.050 -22.804 -2.254 1.00 0.00 C ATOM 1016 CG HIS A 66 0.826 -23.579 -2.634 1.00 0.00 C ATOM 1017 ND1 HIS A 66 0.143 -24.388 -1.751 1.00 0.00 N ATOM 1018 CD2 HIS A 66 0.162 -23.664 -3.811 1.00 0.00 C ATOM 1019 CE1 HIS A 66 -0.888 -24.938 -2.368 1.00 0.00 C ATOM 1020 NE2 HIS A 66 -0.899 -24.515 -3.619 1.00 0.00 N ATOM 0 H HIS A 66 4.232 -21.740 -2.693 1.00 0.00 H new ATOM 0 HA HIS A 66 3.501 -24.161 -1.436 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.940 -22.447 -1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.125 -21.924 -2.892 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.419 -23.157 -4.729 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.600 -25.618 -1.925 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -1.584 -24.778 -4.328 1.00 0.00 H new ATOM 1028 N ALA A 67 3.337 -24.116 -4.737 1.00 0.00 N ATOM 1029 CA ALA A 67 3.252 -24.968 -5.917 1.00 0.00 C ATOM 1030 C ALA A 67 4.312 -26.063 -5.880 1.00 0.00 C ATOM 1031 O ALA A 67 4.063 -27.196 -6.294 1.00 0.00 O ATOM 1032 CB ALA A 67 3.395 -24.134 -7.182 1.00 0.00 C ATOM 0 H ALA A 67 3.479 -23.127 -4.941 1.00 0.00 H new ATOM 0 HA ALA A 67 2.273 -25.446 -5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.330 -24.783 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.597 -23.392 -7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.361 -23.628 -7.177 1.00 0.00 H new ATOM 1038 N ASP A 68 5.495 -25.719 -5.384 1.00 0.00 N ATOM 1039 CA ASP A 68 6.594 -26.674 -5.294 1.00 0.00 C ATOM 1040 C ASP A 68 6.188 -27.893 -4.472 1.00 0.00 C ATOM 1041 O ASP A 68 6.307 -29.029 -4.929 1.00 0.00 O ATOM 1042 CB ASP A 68 7.824 -26.011 -4.672 1.00 0.00 C ATOM 1043 CG ASP A 68 8.925 -27.007 -4.365 1.00 0.00 C ATOM 1044 OD1 ASP A 68 9.233 -27.841 -5.243 1.00 0.00 O ATOM 1045 OD2 ASP A 68 9.481 -26.952 -3.248 1.00 0.00 O ATOM 0 H ASP A 68 5.718 -24.786 -5.038 1.00 0.00 H new ATOM 0 HA ASP A 68 6.840 -27.004 -6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.206 -25.250 -5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.533 -25.501 -3.754 1.00 0.00 H new ATOM 1050 N ASN A 69 5.708 -27.649 -3.257 1.00 0.00 N ATOM 1051 CA ASN A 69 5.286 -28.727 -2.370 1.00 0.00 C ATOM 1052 C ASN A 69 3.845 -29.137 -2.661 1.00 0.00 C ATOM 1053 O ASN A 69 3.290 -30.010 -1.993 1.00 0.00 O ATOM 1054 CB ASN A 69 5.421 -28.296 -0.909 1.00 0.00 C ATOM 1055 CG ASN A 69 6.868 -28.196 -0.467 1.00 0.00 C ATOM 1056 OD1 ASN A 69 7.548 -29.208 -0.296 1.00 0.00 O ATOM 1057 ND2 ASN A 69 7.346 -26.971 -0.279 1.00 0.00 N ATOM 0 H ASN A 69 5.602 -26.714 -2.864 1.00 0.00 H new ATOM 0 HA ASN A 69 5.933 -29.586 -2.549 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.934 -27.330 -0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.898 -29.010 -0.273 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.313 -26.841 0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.746 -26.160 -0.433 1.00 0.00 H new ATOM 1064 N CYS A 70 3.245 -28.501 -3.661 1.00 0.00 N ATOM 1065 CA CYS A 70 1.869 -28.798 -4.041 1.00 0.00 C ATOM 1066 C CYS A 70 1.802 -30.059 -4.898 1.00 0.00 C ATOM 1067 O CYS A 70 2.746 -30.384 -5.618 1.00 0.00 O ATOM 1068 CB CYS A 70 1.262 -27.618 -4.802 1.00 0.00 C ATOM 1069 SG CYS A 70 -0.453 -27.891 -5.350 1.00 0.00 S ATOM 0 H CYS A 70 3.690 -27.776 -4.223 1.00 0.00 H new ATOM 0 HA CYS A 70 1.295 -28.968 -3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 70 1.292 -26.734 -4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.881 -27.404 -5.673 1.00 0.00 H new ATOM 1074 N ALA A 71 0.679 -30.765 -4.816 1.00 0.00 N ATOM 1075 CA ALA A 71 0.487 -31.988 -5.585 1.00 0.00 C ATOM 1076 C ALA A 71 -0.738 -31.883 -6.486 1.00 0.00 C ATOM 1077 O ALA A 71 -0.837 -32.574 -7.499 1.00 0.00 O ATOM 1078 CB ALA A 71 0.358 -33.183 -4.652 1.00 0.00 C ATOM 0 H ALA A 71 -0.112 -30.511 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 71 1.361 -32.130 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.215 -34.090 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.264 -33.277 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.498 -33.039 -3.993 1.00 0.00 H new ATOM 1084 N GLY A 72 -1.671 -31.014 -6.110 1.00 0.00 N ATOM 1085 CA GLY A 72 -2.879 -30.835 -6.895 1.00 0.00 C ATOM 1086 C GLY A 72 -4.031 -30.295 -6.071 1.00 0.00 C ATOM 1087 O GLY A 72 -3.842 -29.742 -4.988 1.00 0.00 O ATOM 0 H GLY A 72 -1.612 -30.430 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.675 -30.152 -7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.167 -31.790 -7.335 1.00 0.00 H new ATOM 1091 N PRO A 73 -5.258 -30.451 -6.589 1.00 0.00 N ATOM 1092 CA PRO A 73 -6.470 -29.980 -5.912 1.00 0.00 C ATOM 1093 C PRO A 73 -6.787 -30.792 -4.661 1.00 0.00 C ATOM 1094 O PRO A 73 -7.631 -30.402 -3.854 1.00 0.00 O ATOM 1095 CB PRO A 73 -7.563 -30.171 -6.966 1.00 0.00 C ATOM 1096 CG PRO A 73 -7.053 -31.258 -7.847 1.00 0.00 C ATOM 1097 CD PRO A 73 -5.558 -31.101 -7.876 1.00 0.00 C ATOM 0 HA PRO A 73 -6.370 -28.952 -5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.512 -30.446 -6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.735 -29.253 -7.529 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.335 -32.238 -7.461 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.473 -31.177 -8.849 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.055 -32.064 -7.967 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.234 -30.491 -8.719 1.00 0.00 H new ATOM 1105 N ASP A 74 -6.106 -31.922 -4.506 1.00 0.00 N ATOM 1106 CA ASP A 74 -6.315 -32.789 -3.352 1.00 0.00 C ATOM 1107 C ASP A 74 -5.519 -32.293 -2.149 1.00 0.00 C ATOM 1108 O ASP A 74 -4.291 -32.360 -2.134 1.00 0.00 O ATOM 1109 CB ASP A 74 -5.914 -34.226 -3.687 1.00 0.00 C ATOM 1110 CG ASP A 74 -6.907 -34.904 -4.611 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -8.112 -34.589 -4.521 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -6.478 -35.748 -5.425 1.00 0.00 O ATOM 0 H ASP A 74 -5.404 -32.259 -5.165 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.375 -32.766 -3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.929 -34.226 -4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.829 -34.801 -2.765 1.00 0.00 H new ATOM 1117 N GLY A 75 -6.229 -31.793 -1.141 1.00 0.00 N ATOM 1118 CA GLY A 75 -5.571 -31.292 0.052 1.00 0.00 C ATOM 1119 C GLY A 75 -6.549 -31.000 1.173 1.00 0.00 C ATOM 1120 O GLY A 75 -7.594 -30.387 0.952 1.00 0.00 O ATOM 0 H GLY A 75 -7.247 -31.726 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.839 -32.023 0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.022 -30.383 -0.194 1.00 0.00 H new ATOM 1124 N VAL A 76 -6.211 -31.441 2.380 1.00 0.00 N ATOM 1125 CA VAL A 76 -7.067 -31.224 3.541 1.00 0.00 C ATOM 1126 C VAL A 76 -6.367 -31.648 4.827 1.00 0.00 C ATOM 1127 O VAL A 76 -5.495 -32.515 4.813 1.00 0.00 O ATOM 1128 CB VAL A 76 -8.393 -31.996 3.412 1.00 0.00 C ATOM 1129 CG1 VAL A 76 -8.160 -33.489 3.583 1.00 0.00 C ATOM 1130 CG2 VAL A 76 -9.407 -31.486 4.425 1.00 0.00 C ATOM 0 H VAL A 76 -5.350 -31.951 2.580 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.280 -30.156 3.582 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.796 -31.828 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.108 -34.018 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.471 -33.840 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.734 -33.680 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.338 -32.043 4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.015 -31.622 5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.596 -30.427 4.249 1.00 0.00 H new ATOM 1140 N GLU A 77 -6.757 -31.030 5.938 1.00 0.00 N ATOM 1141 CA GLU A 77 -6.166 -31.344 7.233 1.00 0.00 C ATOM 1142 C GLU A 77 -4.687 -30.968 7.262 1.00 0.00 C ATOM 1143 O GLU A 77 -3.840 -31.767 7.659 1.00 0.00 O ATOM 1144 CB GLU A 77 -6.331 -32.833 7.546 1.00 0.00 C ATOM 1145 CG GLU A 77 -6.436 -33.134 9.032 1.00 0.00 C ATOM 1146 CD GLU A 77 -7.625 -32.453 9.683 1.00 0.00 C ATOM 1147 OE1 GLU A 77 -8.766 -32.905 9.455 1.00 0.00 O ATOM 1148 OE2 GLU A 77 -7.412 -31.468 10.420 1.00 0.00 O ATOM 0 H GLU A 77 -7.479 -30.310 5.967 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.686 -30.760 7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.225 -33.204 7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.483 -33.379 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.516 -34.212 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.521 -32.813 9.529 1.00 0.00 H new ATOM 1155 N GLY A 78 -4.385 -29.745 6.838 1.00 0.00 N ATOM 1156 CA GLY A 78 -3.009 -29.284 6.822 1.00 0.00 C ATOM 1157 C GLY A 78 -2.281 -29.587 8.117 1.00 0.00 C ATOM 1158 O GLY A 78 -1.579 -30.592 8.221 1.00 0.00 O ATOM 0 H GLY A 78 -5.069 -29.065 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.481 -29.755 5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.991 -28.209 6.642 1.00 0.00 H new ATOM 1162 N GLU A 79 -2.448 -28.714 9.106 1.00 0.00 N ATOM 1163 CA GLU A 79 -1.799 -28.893 10.399 1.00 0.00 C ATOM 1164 C GLU A 79 -2.355 -27.912 11.428 1.00 0.00 C ATOM 1165 O GLU A 79 -3.079 -26.979 11.083 1.00 0.00 O ATOM 1166 CB GLU A 79 -0.286 -28.706 10.266 1.00 0.00 C ATOM 1167 CG GLU A 79 0.118 -27.312 9.816 1.00 0.00 C ATOM 1168 CD GLU A 79 1.586 -27.220 9.450 1.00 0.00 C ATOM 1169 OE1 GLU A 79 2.433 -27.364 10.357 1.00 0.00 O ATOM 1170 OE2 GLU A 79 1.889 -27.004 8.258 1.00 0.00 O ATOM 0 H GLU A 79 -3.027 -27.877 9.036 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.004 -29.907 10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.184 -28.919 11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.100 -29.435 9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.486 -27.023 8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.099 -26.600 10.612 1.00 0.00 H new ATOM 1177 N ASN A 80 -2.010 -28.130 12.692 1.00 0.00 N ATOM 1178 CA ASN A 80 -2.474 -27.267 13.772 1.00 0.00 C ATOM 1179 C ASN A 80 -1.371 -26.311 14.217 1.00 0.00 C ATOM 1180 O ASN A 80 -0.252 -26.358 13.707 1.00 0.00 O ATOM 1181 CB ASN A 80 -2.946 -28.108 14.959 1.00 0.00 C ATOM 1182 CG ASN A 80 -1.983 -29.232 15.290 1.00 0.00 C ATOM 1183 OD1 ASN A 80 -0.839 -28.991 15.673 1.00 0.00 O ATOM 1184 ND2 ASN A 80 -2.444 -30.469 15.142 1.00 0.00 N ATOM 0 H ASN A 80 -1.410 -28.898 12.994 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.311 -26.678 13.398 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.064 -27.466 15.832 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.927 -28.527 14.736 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.842 -31.266 15.349 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.400 -30.622 14.822 1.00 0.00 H new ATOM 1191 N SER A 81 -1.696 -25.447 15.173 1.00 0.00 N ATOM 1192 CA SER A 81 -0.734 -24.478 15.686 1.00 0.00 C ATOM 1193 C SER A 81 0.615 -25.140 15.952 1.00 0.00 C ATOM 1194 O SER A 81 1.632 -24.756 15.377 1.00 0.00 O ATOM 1195 CB SER A 81 -1.261 -23.834 16.970 1.00 0.00 C ATOM 1196 OG SER A 81 -2.140 -22.761 16.678 1.00 0.00 O ATOM 0 H SER A 81 -2.617 -25.398 15.608 1.00 0.00 H new ATOM 0 HA SER A 81 -0.597 -23.705 14.930 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.781 -24.582 17.569 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.425 -23.471 17.568 1.00 0.00 H new ATOM 0 HG SER A 81 -2.465 -22.367 17.515 1.00 0.00 H new ATOM 1202 N GLY A 82 0.613 -26.138 16.831 1.00 0.00 N ATOM 1203 CA GLY A 82 1.841 -26.839 17.159 1.00 0.00 C ATOM 1204 C GLY A 82 2.801 -25.981 17.960 1.00 0.00 C ATOM 1205 O GLY A 82 2.925 -24.777 17.737 1.00 0.00 O ATOM 0 H GLY A 82 -0.216 -26.473 17.321 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.602 -27.738 17.726 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.328 -27.162 16.239 1.00 0.00 H new ATOM 1209 N PRO A 83 3.501 -26.606 18.918 1.00 0.00 N ATOM 1210 CA PRO A 83 4.466 -25.911 19.775 1.00 0.00 C ATOM 1211 C PRO A 83 5.713 -25.478 19.011 1.00 0.00 C ATOM 1212 O PRO A 83 5.807 -25.669 17.798 1.00 0.00 O ATOM 1213 CB PRO A 83 4.824 -26.960 20.831 1.00 0.00 C ATOM 1214 CG PRO A 83 4.565 -28.269 20.167 1.00 0.00 C ATOM 1215 CD PRO A 83 3.404 -28.040 19.239 1.00 0.00 C ATOM 0 HA PRO A 83 4.053 -24.992 20.191 1.00 0.00 H new ATOM 0 HB2 PRO A 83 5.866 -26.872 21.140 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.215 -26.843 21.727 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.443 -28.608 19.617 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.331 -29.040 20.902 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.477 -28.658 18.344 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.454 -28.282 19.716 1.00 0.00 H new ATOM 1223 N SER A 84 6.668 -24.894 19.728 1.00 0.00 N ATOM 1224 CA SER A 84 7.908 -24.431 19.116 1.00 0.00 C ATOM 1225 C SER A 84 9.120 -24.946 19.887 1.00 0.00 C ATOM 1226 O SER A 84 8.991 -25.450 21.003 1.00 0.00 O ATOM 1227 CB SER A 84 7.935 -22.903 19.063 1.00 0.00 C ATOM 1228 OG SER A 84 8.753 -22.444 18.000 1.00 0.00 O ATOM 0 H SER A 84 6.607 -24.730 20.733 1.00 0.00 H new ATOM 0 HA SER A 84 7.952 -24.824 18.100 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.921 -22.522 18.937 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.308 -22.510 20.009 1.00 0.00 H new ATOM 0 HG SER A 84 8.752 -21.464 17.986 1.00 0.00 H new ATOM 1234 N SER A 85 10.297 -24.815 19.284 1.00 0.00 N ATOM 1235 CA SER A 85 11.532 -25.269 19.911 1.00 0.00 C ATOM 1236 C SER A 85 12.710 -24.398 19.486 1.00 0.00 C ATOM 1237 O SER A 85 12.568 -23.509 18.647 1.00 0.00 O ATOM 1238 CB SER A 85 11.806 -26.730 19.547 1.00 0.00 C ATOM 1239 OG SER A 85 12.571 -27.371 20.553 1.00 0.00 O ATOM 0 H SER A 85 10.421 -24.398 18.361 1.00 0.00 H new ATOM 0 HA SER A 85 11.413 -25.187 20.991 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.862 -27.258 19.412 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.337 -26.778 18.596 1.00 0.00 H new ATOM 0 HG SER A 85 12.731 -28.304 20.298 1.00 0.00 H new ATOM 1245 N GLY A 86 13.874 -24.660 20.073 1.00 0.00 N ATOM 1246 CA GLY A 86 15.060 -23.892 19.743 1.00 0.00 C ATOM 1247 C GLY A 86 16.127 -24.733 19.071 1.00 0.00 C ATOM 1248 O GLY A 86 15.788 -25.704 18.397 1.00 0.00 O ATOM 0 H GLY A 86 14.017 -25.390 20.771 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.784 -23.068 19.085 1.00 0.00 H new ATOM 0 HA3 GLY A 86 15.468 -23.451 20.652 1.00 0.00 H new TER 1252 GLY A 86 HETATM 1253 ZN ZN A 201 -12.856 6.519 -7.190 1.00 0.00 ZN HETATM 1254 ZN ZN A 401 -1.252 -25.714 -5.585 1.00 0.00 ZN