USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=22 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 Set 1.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 61 ASN : amide:sc= -0.91 K(o=-1.2,f=-7.6!) USER MOD Set 2.2: A 62 THR OG1 : rot 56:sc= -0.281 USER MOD Single : A 1 GLY N :NH3+ -97:sc= 0.0298 (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 -120:sc= -0.399 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 11 THR OG1 : rot 180:sc= 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= -3.09 K(o=-3.1,f=-4.3) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.21) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 33 MET CE :methyl -178:sc= 0 (180deg=-0.00747) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000719) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.043) USER MOD Single : A 51 SER OG : rot 180:sc=-0.00391 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00546 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 148:sc= -0.371 (180deg=-1.34!) USER MOD Single : A 66 HIS : no HE2:sc= -0.972 X(o=-0.97,f=-1) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0.0551 K(o=0.055,f=-9!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.942 -5.499 -19.133 1.00 0.00 N ATOM 2 CA GLY A 1 -13.779 -6.132 -18.131 1.00 0.00 C ATOM 3 C GLY A 1 -14.021 -7.600 -18.421 1.00 0.00 C ATOM 4 O GLY A 1 -13.997 -8.024 -19.576 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.957 -5.476 -18.799 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.994 -6.039 -20.020 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.274 -4.527 -19.299 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.309 -6.031 -17.153 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.736 -5.612 -18.080 1.00 0.00 H new ATOM 8 N SER A 2 -14.252 -8.379 -17.369 1.00 0.00 N ATOM 9 CA SER A 2 -14.494 -9.810 -17.516 1.00 0.00 C ATOM 10 C SER A 2 -15.869 -10.069 -18.124 1.00 0.00 C ATOM 11 O SER A 2 -15.994 -10.775 -19.125 1.00 0.00 O ATOM 12 CB SER A 2 -14.384 -10.509 -16.159 1.00 0.00 C ATOM 13 OG SER A 2 -13.080 -10.375 -15.621 1.00 0.00 O ATOM 0 H SER A 2 -14.277 -8.044 -16.406 1.00 0.00 H new ATOM 0 HA SER A 2 -13.737 -10.214 -18.188 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.112 -10.084 -15.467 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.628 -11.565 -16.270 1.00 0.00 H new ATOM 0 HG SER A 2 -13.036 -10.828 -14.753 1.00 0.00 H new ATOM 19 N SER A 3 -16.898 -9.492 -17.512 1.00 0.00 N ATOM 20 CA SER A 3 -18.265 -9.663 -17.989 1.00 0.00 C ATOM 21 C SER A 3 -18.610 -11.143 -18.132 1.00 0.00 C ATOM 22 O SER A 3 -19.228 -11.556 -19.112 1.00 0.00 O ATOM 23 CB SER A 3 -18.451 -8.953 -19.332 1.00 0.00 C ATOM 24 OG SER A 3 -18.678 -7.567 -19.148 1.00 0.00 O ATOM 0 H SER A 3 -16.811 -8.902 -16.685 1.00 0.00 H new ATOM 0 HA SER A 3 -18.938 -9.220 -17.255 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.566 -9.101 -19.951 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.292 -9.395 -19.867 1.00 0.00 H new ATOM 0 HG SER A 3 -18.792 -7.136 -20.020 1.00 0.00 H new ATOM 30 N GLY A 4 -18.205 -11.936 -17.144 1.00 0.00 N ATOM 31 CA GLY A 4 -18.480 -13.361 -17.177 1.00 0.00 C ATOM 32 C GLY A 4 -19.531 -13.772 -16.166 1.00 0.00 C ATOM 33 O GLY A 4 -20.014 -12.946 -15.391 1.00 0.00 O ATOM 0 H GLY A 4 -17.692 -11.617 -16.322 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.813 -13.641 -18.177 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.559 -13.910 -16.983 1.00 0.00 H new ATOM 37 N SER A 5 -19.889 -15.052 -16.174 1.00 0.00 N ATOM 38 CA SER A 5 -20.895 -15.571 -15.255 1.00 0.00 C ATOM 39 C SER A 5 -20.303 -15.779 -13.864 1.00 0.00 C ATOM 40 O SER A 5 -19.500 -16.686 -13.648 1.00 0.00 O ATOM 41 CB SER A 5 -21.466 -16.889 -15.780 1.00 0.00 C ATOM 42 OG SER A 5 -22.502 -16.658 -16.719 1.00 0.00 O ATOM 0 H SER A 5 -19.497 -15.749 -16.807 1.00 0.00 H new ATOM 0 HA SER A 5 -21.699 -14.838 -15.184 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.672 -17.473 -16.246 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.850 -17.480 -14.948 1.00 0.00 H new ATOM 0 HG SER A 5 -22.849 -17.516 -17.041 1.00 0.00 H new ATOM 48 N SER A 6 -20.706 -14.931 -12.923 1.00 0.00 N ATOM 49 CA SER A 6 -20.214 -15.018 -11.553 1.00 0.00 C ATOM 50 C SER A 6 -21.302 -14.622 -10.559 1.00 0.00 C ATOM 51 O SER A 6 -22.398 -14.222 -10.948 1.00 0.00 O ATOM 52 CB SER A 6 -18.989 -14.119 -11.371 1.00 0.00 C ATOM 53 OG SER A 6 -19.368 -12.758 -11.256 1.00 0.00 O ATOM 0 H SER A 6 -21.372 -14.176 -13.084 1.00 0.00 H new ATOM 0 HA SER A 6 -19.929 -16.052 -11.360 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.440 -14.423 -10.480 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.315 -14.242 -12.219 1.00 0.00 H new ATOM 0 HG SER A 6 -18.953 -12.241 -11.978 1.00 0.00 H new ATOM 59 N GLY A 7 -20.989 -14.737 -9.272 1.00 0.00 N ATOM 60 CA GLY A 7 -21.948 -14.388 -8.241 1.00 0.00 C ATOM 61 C GLY A 7 -21.471 -13.246 -7.366 1.00 0.00 C ATOM 62 O GLY A 7 -21.350 -12.111 -7.828 1.00 0.00 O ATOM 0 H GLY A 7 -20.088 -15.066 -8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.894 -14.113 -8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.141 -15.262 -7.619 1.00 0.00 H new ATOM 66 N ARG A 8 -21.200 -13.545 -6.100 1.00 0.00 N ATOM 67 CA ARG A 8 -20.736 -12.534 -5.158 1.00 0.00 C ATOM 68 C ARG A 8 -21.794 -11.453 -4.956 1.00 0.00 C ATOM 69 O ARG A 8 -21.524 -10.264 -5.131 1.00 0.00 O ATOM 70 CB ARG A 8 -19.434 -11.902 -5.656 1.00 0.00 C ATOM 71 CG ARG A 8 -18.410 -12.917 -6.136 1.00 0.00 C ATOM 72 CD ARG A 8 -17.105 -12.245 -6.536 1.00 0.00 C ATOM 73 NE ARG A 8 -17.196 -11.612 -7.849 1.00 0.00 N ATOM 74 CZ ARG A 8 -17.013 -12.263 -8.993 1.00 0.00 C ATOM 75 NH1 ARG A 8 -16.730 -13.558 -8.985 1.00 0.00 N ATOM 76 NH2 ARG A 8 -17.112 -11.617 -10.148 1.00 0.00 N ATOM 0 H ARG A 8 -21.294 -14.480 -5.703 1.00 0.00 H new ATOM 0 HA ARG A 8 -20.552 -13.022 -4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -19.662 -11.215 -6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.997 -11.309 -4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.219 -13.644 -5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.813 -13.468 -6.986 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -16.839 -11.496 -5.790 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.304 -12.984 -6.545 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.412 -10.616 -7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.652 -14.058 -8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.590 -14.055 -9.865 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.329 -10.620 -10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.971 -12.117 -11.026 1.00 0.00 H new ATOM 90 N THR A 9 -22.999 -11.874 -4.587 1.00 0.00 N ATOM 91 CA THR A 9 -24.098 -10.943 -4.363 1.00 0.00 C ATOM 92 C THR A 9 -24.142 -10.484 -2.910 1.00 0.00 C ATOM 93 O THR A 9 -24.628 -9.394 -2.607 1.00 0.00 O ATOM 94 CB THR A 9 -25.454 -11.575 -4.730 1.00 0.00 C ATOM 95 OG1 THR A 9 -25.718 -12.697 -3.881 1.00 0.00 O ATOM 96 CG2 THR A 9 -25.467 -12.020 -6.185 1.00 0.00 C ATOM 0 H THR A 9 -23.239 -12.854 -4.437 1.00 0.00 H new ATOM 0 HA THR A 9 -23.920 -10.083 -5.008 1.00 0.00 H new ATOM 0 HB THR A 9 -26.230 -10.823 -4.589 1.00 0.00 H new ATOM 0 HG1 THR A 9 -26.583 -13.092 -4.120 1.00 0.00 H new ATOM 0 HG21 THR A 9 -26.434 -12.463 -6.421 1.00 0.00 H new ATOM 0 HG22 THR A 9 -25.295 -11.159 -6.830 1.00 0.00 H new ATOM 0 HG23 THR A 9 -24.681 -12.757 -6.347 1.00 0.00 H new ATOM 104 N HIS A 10 -23.630 -11.321 -2.014 1.00 0.00 N ATOM 105 CA HIS A 10 -23.610 -11.000 -0.591 1.00 0.00 C ATOM 106 C HIS A 10 -22.792 -9.738 -0.331 1.00 0.00 C ATOM 107 O HIS A 10 -21.562 -9.761 -0.380 1.00 0.00 O ATOM 108 CB HIS A 10 -23.034 -12.169 0.209 1.00 0.00 C ATOM 109 CG HIS A 10 -22.968 -11.910 1.683 1.00 0.00 C ATOM 110 ND1 HIS A 10 -21.800 -11.579 2.337 1.00 0.00 N ATOM 111 CD2 HIS A 10 -23.934 -11.934 2.631 1.00 0.00 C ATOM 112 CE1 HIS A 10 -22.050 -11.413 3.624 1.00 0.00 C ATOM 113 NE2 HIS A 10 -23.338 -11.621 3.828 1.00 0.00 N ATOM 0 H HIS A 10 -23.223 -12.227 -2.248 1.00 0.00 H new ATOM 0 HA HIS A 10 -24.636 -10.820 -0.269 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -23.643 -13.056 0.031 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -22.032 -12.391 -0.158 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -24.979 -12.158 2.475 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -21.324 -11.152 4.380 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -23.813 -11.559 4.728 1.00 0.00 H new ATOM 121 N THR A 11 -23.484 -8.637 -0.054 1.00 0.00 N ATOM 122 CA THR A 11 -22.822 -7.366 0.212 1.00 0.00 C ATOM 123 C THR A 11 -23.278 -6.777 1.542 1.00 0.00 C ATOM 124 O THR A 11 -24.130 -7.344 2.224 1.00 0.00 O ATOM 125 CB THR A 11 -23.096 -6.345 -0.909 1.00 0.00 C ATOM 126 OG1 THR A 11 -24.466 -6.421 -1.317 1.00 0.00 O ATOM 127 CG2 THR A 11 -22.191 -6.599 -2.105 1.00 0.00 C ATOM 0 H THR A 11 -24.502 -8.600 -0.008 1.00 0.00 H new ATOM 0 HA THR A 11 -21.752 -7.569 0.255 1.00 0.00 H new ATOM 0 HB THR A 11 -22.888 -5.348 -0.521 1.00 0.00 H new ATOM 0 HG1 THR A 11 -24.632 -5.768 -2.029 1.00 0.00 H new ATOM 0 HG21 THR A 11 -22.403 -5.866 -2.884 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.149 -6.511 -1.798 1.00 0.00 H new ATOM 0 HG23 THR A 11 -22.372 -7.602 -2.492 1.00 0.00 H new ATOM 135 N GLY A 12 -22.703 -5.634 1.906 1.00 0.00 N ATOM 136 CA GLY A 12 -23.063 -4.987 3.154 1.00 0.00 C ATOM 137 C GLY A 12 -23.029 -3.475 3.054 1.00 0.00 C ATOM 138 O GLY A 12 -23.282 -2.911 1.990 1.00 0.00 O ATOM 0 H GLY A 12 -21.995 -5.145 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -24.062 -5.306 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -22.379 -5.312 3.938 1.00 0.00 H new ATOM 142 N GLU A 13 -22.716 -2.817 4.166 1.00 0.00 N ATOM 143 CA GLU A 13 -22.653 -1.361 4.199 1.00 0.00 C ATOM 144 C GLU A 13 -21.223 -0.874 3.981 1.00 0.00 C ATOM 145 O GLU A 13 -20.264 -1.509 4.421 1.00 0.00 O ATOM 146 CB GLU A 13 -23.184 -0.835 5.534 1.00 0.00 C ATOM 147 CG GLU A 13 -23.720 0.585 5.459 1.00 0.00 C ATOM 148 CD GLU A 13 -22.621 1.614 5.269 1.00 0.00 C ATOM 149 OE1 GLU A 13 -21.603 1.532 5.987 1.00 0.00 O ATOM 150 OE2 GLU A 13 -22.780 2.500 4.404 1.00 0.00 O ATOM 0 H GLU A 13 -22.502 -3.269 5.055 1.00 0.00 H new ATOM 0 HA GLU A 13 -23.277 -0.977 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -23.977 -1.495 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -22.385 -0.874 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -24.428 0.659 4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -24.270 0.811 6.373 1.00 0.00 H new ATOM 157 N LYS A 14 -21.087 0.258 3.299 1.00 0.00 N ATOM 158 CA LYS A 14 -19.776 0.833 3.021 1.00 0.00 C ATOM 159 C LYS A 14 -19.705 2.281 3.496 1.00 0.00 C ATOM 160 O LYS A 14 -20.115 3.209 2.799 1.00 0.00 O ATOM 161 CB LYS A 14 -19.472 0.761 1.523 1.00 0.00 C ATOM 162 CG LYS A 14 -19.445 -0.655 0.975 1.00 0.00 C ATOM 163 CD LYS A 14 -19.726 -0.681 -0.518 1.00 0.00 C ATOM 164 CE LYS A 14 -19.604 -2.087 -1.084 1.00 0.00 C ATOM 165 NZ LYS A 14 -20.123 -2.171 -2.477 1.00 0.00 N ATOM 0 H LYS A 14 -21.870 0.796 2.928 1.00 0.00 H new ATOM 0 HA LYS A 14 -19.030 0.254 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -20.222 1.337 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -18.508 1.233 1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -18.471 -1.103 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -20.185 -1.262 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -20.729 -0.297 -0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -19.029 -0.019 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.559 -2.396 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -20.153 -2.783 -0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.022 -3.145 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -21.127 -1.901 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.583 -1.526 -3.088 1.00 0.00 H new ATOM 179 N PRO A 15 -19.172 2.480 4.711 1.00 0.00 N ATOM 180 CA PRO A 15 -19.033 3.813 5.305 1.00 0.00 C ATOM 181 C PRO A 15 -17.979 4.657 4.596 1.00 0.00 C ATOM 182 O PRO A 15 -18.000 5.886 4.672 1.00 0.00 O ATOM 183 CB PRO A 15 -18.602 3.517 6.744 1.00 0.00 C ATOM 184 CG PRO A 15 -17.943 2.183 6.675 1.00 0.00 C ATOM 185 CD PRO A 15 -18.664 1.420 5.598 1.00 0.00 C ATOM 0 HA PRO A 15 -19.955 4.390 5.232 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -17.917 4.278 7.117 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -19.458 3.501 7.418 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -16.883 2.283 6.440 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -18.010 1.665 7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -17.995 0.741 5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -19.474 0.816 6.007 1.00 0.00 H new ATOM 193 N TYR A 16 -17.060 3.990 3.907 1.00 0.00 N ATOM 194 CA TYR A 16 -15.997 4.679 3.185 1.00 0.00 C ATOM 195 C TYR A 16 -16.455 5.073 1.784 1.00 0.00 C ATOM 196 O TYR A 16 -16.562 4.229 0.894 1.00 0.00 O ATOM 197 CB TYR A 16 -14.754 3.792 3.097 1.00 0.00 C ATOM 198 CG TYR A 16 -14.283 3.275 4.437 1.00 0.00 C ATOM 199 CD1 TYR A 16 -14.863 2.153 5.015 1.00 0.00 C ATOM 200 CD2 TYR A 16 -13.255 3.909 5.126 1.00 0.00 C ATOM 201 CE1 TYR A 16 -14.436 1.678 6.240 1.00 0.00 C ATOM 202 CE2 TYR A 16 -12.820 3.440 6.350 1.00 0.00 C ATOM 203 CZ TYR A 16 -13.414 2.325 6.903 1.00 0.00 C ATOM 204 OH TYR A 16 -12.985 1.854 8.123 1.00 0.00 O ATOM 0 H TYR A 16 -17.030 2.973 3.833 1.00 0.00 H new ATOM 0 HA TYR A 16 -15.749 5.587 3.735 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -14.968 2.945 2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -13.947 4.357 2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -15.662 1.643 4.498 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.789 4.783 4.697 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.900 0.805 6.676 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.019 3.944 6.871 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.258 2.421 8.456 1.00 0.00 H new ATOM 214 N ALA A 17 -16.724 6.360 1.597 1.00 0.00 N ATOM 215 CA ALA A 17 -17.168 6.868 0.305 1.00 0.00 C ATOM 216 C ALA A 17 -16.120 7.787 -0.314 1.00 0.00 C ATOM 217 O ALA A 17 -15.816 8.851 0.226 1.00 0.00 O ATOM 218 CB ALA A 17 -18.494 7.601 0.452 1.00 0.00 C ATOM 0 H ALA A 17 -16.642 7.071 2.324 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.308 6.017 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.813 7.975 -0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -19.247 6.916 0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -18.373 8.438 1.140 1.00 0.00 H new ATOM 224 N CYS A 18 -15.570 7.369 -1.449 1.00 0.00 N ATOM 225 CA CYS A 18 -14.554 8.153 -2.141 1.00 0.00 C ATOM 226 C CYS A 18 -15.030 9.586 -2.360 1.00 0.00 C ATOM 227 O CYS A 18 -16.199 9.824 -2.662 1.00 0.00 O ATOM 228 CB CYS A 18 -14.210 7.507 -3.485 1.00 0.00 C ATOM 229 SG CYS A 18 -12.583 7.991 -4.147 1.00 0.00 S ATOM 0 H CYS A 18 -15.811 6.491 -1.909 1.00 0.00 H new ATOM 0 HA CYS A 18 -13.660 8.177 -1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -14.237 6.423 -3.373 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -14.979 7.771 -4.211 1.00 0.00 H new ATOM 234 N SER A 19 -14.114 10.537 -2.207 1.00 0.00 N ATOM 235 CA SER A 19 -14.439 11.948 -2.384 1.00 0.00 C ATOM 236 C SER A 19 -14.395 12.334 -3.860 1.00 0.00 C ATOM 237 O SER A 19 -15.338 12.925 -4.387 1.00 0.00 O ATOM 238 CB SER A 19 -13.468 12.821 -1.587 1.00 0.00 C ATOM 239 OG SER A 19 -14.092 14.021 -1.163 1.00 0.00 O ATOM 0 H SER A 19 -13.141 10.356 -1.961 1.00 0.00 H new ATOM 0 HA SER A 19 -15.451 12.112 -2.013 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.106 12.269 -0.719 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.598 13.057 -2.200 1.00 0.00 H new ATOM 0 HG SER A 19 -13.451 14.561 -0.654 1.00 0.00 H new ATOM 245 N HIS A 20 -13.293 11.995 -4.521 1.00 0.00 N ATOM 246 CA HIS A 20 -13.125 12.305 -5.936 1.00 0.00 C ATOM 247 C HIS A 20 -14.318 11.809 -6.747 1.00 0.00 C ATOM 248 O HIS A 20 -14.814 12.507 -7.632 1.00 0.00 O ATOM 249 CB HIS A 20 -11.836 11.678 -6.468 1.00 0.00 C ATOM 250 CG HIS A 20 -10.594 12.377 -6.005 1.00 0.00 C ATOM 251 ND1 HIS A 20 -10.455 12.903 -4.738 1.00 0.00 N ATOM 252 CD2 HIS A 20 -9.430 12.632 -6.647 1.00 0.00 C ATOM 253 CE1 HIS A 20 -9.260 13.454 -4.621 1.00 0.00 C ATOM 254 NE2 HIS A 20 -8.618 13.303 -5.766 1.00 0.00 N ATOM 0 H HIS A 20 -12.503 11.506 -4.100 1.00 0.00 H new ATOM 0 HA HIS A 20 -13.063 13.388 -6.040 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -11.794 10.635 -6.156 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -11.862 11.684 -7.558 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -9.185 12.359 -7.663 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.874 13.944 -3.740 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.673 13.632 -5.963 1.00 0.00 H new ATOM 262 N CYS A 21 -14.774 10.600 -6.439 1.00 0.00 N ATOM 263 CA CYS A 21 -15.908 10.009 -7.139 1.00 0.00 C ATOM 264 C CYS A 21 -17.037 9.680 -6.166 1.00 0.00 C ATOM 265 O CYS A 21 -16.950 9.977 -4.975 1.00 0.00 O ATOM 266 CB CYS A 21 -15.474 8.742 -7.880 1.00 0.00 C ATOM 267 SG CYS A 21 -15.020 7.359 -6.785 1.00 0.00 S ATOM 0 H CYS A 21 -14.375 10.010 -5.709 1.00 0.00 H new ATOM 0 HA CYS A 21 -16.275 10.737 -7.862 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -16.284 8.422 -8.535 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.623 8.981 -8.518 1.00 0.00 H new ATOM 272 N ASP A 22 -18.095 9.065 -6.683 1.00 0.00 N ATOM 273 CA ASP A 22 -19.241 8.694 -5.860 1.00 0.00 C ATOM 274 C ASP A 22 -19.267 7.189 -5.612 1.00 0.00 C ATOM 275 O ASP A 22 -20.293 6.535 -5.800 1.00 0.00 O ATOM 276 CB ASP A 22 -20.542 9.135 -6.532 1.00 0.00 C ATOM 277 CG ASP A 22 -21.706 9.186 -5.562 1.00 0.00 C ATOM 278 OD1 ASP A 22 -21.606 9.913 -4.551 1.00 0.00 O ATOM 279 OD2 ASP A 22 -22.718 8.499 -5.814 1.00 0.00 O ATOM 0 H ASP A 22 -18.183 8.813 -7.667 1.00 0.00 H new ATOM 0 HA ASP A 22 -19.147 9.201 -4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.401 10.119 -6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -20.779 8.448 -7.344 1.00 0.00 H new ATOM 284 N LYS A 23 -18.131 6.644 -5.189 1.00 0.00 N ATOM 285 CA LYS A 23 -18.022 5.216 -4.915 1.00 0.00 C ATOM 286 C LYS A 23 -17.898 4.958 -3.417 1.00 0.00 C ATOM 287 O LYS A 23 -17.480 5.833 -2.657 1.00 0.00 O ATOM 288 CB LYS A 23 -16.815 4.626 -5.647 1.00 0.00 C ATOM 289 CG LYS A 23 -16.998 4.540 -7.152 1.00 0.00 C ATOM 290 CD LYS A 23 -17.612 3.213 -7.565 1.00 0.00 C ATOM 291 CE LYS A 23 -17.302 2.883 -9.017 1.00 0.00 C ATOM 292 NZ LYS A 23 -16.042 2.101 -9.151 1.00 0.00 N ATOM 0 H LYS A 23 -17.272 7.170 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 23 -18.930 4.732 -5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.937 5.234 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -16.616 3.628 -5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.636 5.357 -7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.033 4.664 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -17.232 2.419 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.692 3.250 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.129 2.316 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.219 3.807 -9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.866 1.896 -10.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.249 2.652 -8.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.130 1.208 -8.626 1.00 0.00 H new ATOM 306 N THR A 24 -18.262 3.751 -2.996 1.00 0.00 N ATOM 307 CA THR A 24 -18.191 3.378 -1.589 1.00 0.00 C ATOM 308 C THR A 24 -17.486 2.038 -1.411 1.00 0.00 C ATOM 309 O THR A 24 -17.459 1.213 -2.324 1.00 0.00 O ATOM 310 CB THR A 24 -19.594 3.295 -0.959 1.00 0.00 C ATOM 311 OG1 THR A 24 -20.405 2.367 -1.688 1.00 0.00 O ATOM 312 CG2 THR A 24 -20.264 4.660 -0.946 1.00 0.00 C ATOM 0 H THR A 24 -18.609 3.014 -3.610 1.00 0.00 H new ATOM 0 HA THR A 24 -17.619 4.156 -1.083 1.00 0.00 H new ATOM 0 HB THR A 24 -19.485 2.952 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 24 -21.295 2.319 -1.280 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.253 4.575 -0.496 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.660 5.356 -0.365 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.360 5.028 -1.968 1.00 0.00 H new ATOM 320 N PHE A 25 -16.917 1.827 -0.228 1.00 0.00 N ATOM 321 CA PHE A 25 -16.211 0.587 0.070 1.00 0.00 C ATOM 322 C PHE A 25 -16.365 0.213 1.541 1.00 0.00 C ATOM 323 O PHE A 25 -16.519 1.082 2.400 1.00 0.00 O ATOM 324 CB PHE A 25 -14.728 0.722 -0.281 1.00 0.00 C ATOM 325 CG PHE A 25 -14.483 1.397 -1.600 1.00 0.00 C ATOM 326 CD1 PHE A 25 -14.619 2.770 -1.727 1.00 0.00 C ATOM 327 CD2 PHE A 25 -14.117 0.658 -2.714 1.00 0.00 C ATOM 328 CE1 PHE A 25 -14.394 3.394 -2.940 1.00 0.00 C ATOM 329 CE2 PHE A 25 -13.890 1.277 -3.929 1.00 0.00 C ATOM 330 CZ PHE A 25 -14.030 2.646 -4.042 1.00 0.00 C ATOM 0 H PHE A 25 -16.931 2.499 0.539 1.00 0.00 H new ATOM 0 HA PHE A 25 -16.650 -0.206 -0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -14.227 1.286 0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -14.276 -0.270 -0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.904 3.360 -0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -14.008 -0.413 -2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -14.503 4.465 -3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -13.603 0.690 -4.789 1.00 0.00 H new ATOM 0 HZ PHE A 25 -13.855 3.131 -4.991 1.00 0.00 H new ATOM 340 N ARG A 26 -16.323 -1.084 1.824 1.00 0.00 N ATOM 341 CA ARG A 26 -16.460 -1.574 3.190 1.00 0.00 C ATOM 342 C ARG A 26 -15.209 -1.263 4.007 1.00 0.00 C ATOM 343 O ARG A 26 -15.289 -0.650 5.071 1.00 0.00 O ATOM 344 CB ARG A 26 -16.721 -3.081 3.191 1.00 0.00 C ATOM 345 CG ARG A 26 -15.634 -3.888 2.499 1.00 0.00 C ATOM 346 CD ARG A 26 -16.175 -5.202 1.958 1.00 0.00 C ATOM 347 NE ARG A 26 -16.262 -6.226 2.995 1.00 0.00 N ATOM 348 CZ ARG A 26 -17.343 -6.425 3.742 1.00 0.00 C ATOM 349 NH1 ARG A 26 -18.422 -5.675 3.566 1.00 0.00 N ATOM 350 NH2 ARG A 26 -17.346 -7.378 4.666 1.00 0.00 N ATOM 0 H ARG A 26 -16.195 -1.816 1.125 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.308 -1.065 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -16.816 -3.424 4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.675 -3.276 2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -15.210 -3.304 1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.825 -4.088 3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -17.163 -5.037 1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.531 -5.555 1.153 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.449 -6.821 3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.424 -4.943 2.856 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.250 -5.830 4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.518 -7.958 4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.176 -7.530 5.239 1.00 0.00 H new ATOM 364 N GLN A 27 -14.057 -1.690 3.501 1.00 0.00 N ATOM 365 CA GLN A 27 -12.790 -1.457 4.185 1.00 0.00 C ATOM 366 C GLN A 27 -12.017 -0.320 3.526 1.00 0.00 C ATOM 367 O GLN A 27 -11.967 -0.216 2.300 1.00 0.00 O ATOM 368 CB GLN A 27 -11.945 -2.732 4.184 1.00 0.00 C ATOM 369 CG GLN A 27 -12.412 -3.772 5.190 1.00 0.00 C ATOM 370 CD GLN A 27 -12.248 -3.311 6.625 1.00 0.00 C ATOM 371 OE1 GLN A 27 -11.154 -3.374 7.188 1.00 0.00 O ATOM 372 NE2 GLN A 27 -13.336 -2.845 7.225 1.00 0.00 N ATOM 0 H GLN A 27 -13.974 -2.199 2.621 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.008 -1.174 5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.964 -3.170 3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.909 -2.471 4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.460 -4.006 5.005 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.849 -4.694 5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.222 -2.811 6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.287 -2.521 8.191 1.00 0.00 H new ATOM 381 N LYS A 28 -11.414 0.532 4.348 1.00 0.00 N ATOM 382 CA LYS A 28 -10.641 1.663 3.846 1.00 0.00 C ATOM 383 C LYS A 28 -9.623 1.207 2.806 1.00 0.00 C ATOM 384 O LYS A 28 -9.355 1.915 1.835 1.00 0.00 O ATOM 385 CB LYS A 28 -9.926 2.370 5.000 1.00 0.00 C ATOM 386 CG LYS A 28 -8.942 3.434 4.544 1.00 0.00 C ATOM 387 CD LYS A 28 -9.632 4.768 4.311 1.00 0.00 C ATOM 388 CE LYS A 28 -8.732 5.736 3.557 1.00 0.00 C ATOM 389 NZ LYS A 28 -7.875 6.530 4.481 1.00 0.00 N ATOM 0 H LYS A 28 -11.445 0.461 5.365 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.331 2.361 3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.670 2.830 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.396 1.628 5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.160 3.554 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.454 3.110 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.551 4.610 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.916 5.204 5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.101 5.180 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.345 6.411 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.277 7.177 3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.477 7.080 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.272 5.888 5.033 1.00 0.00 H new ATOM 403 N GLN A 29 -9.060 0.021 3.015 1.00 0.00 N ATOM 404 CA GLN A 29 -8.072 -0.528 2.094 1.00 0.00 C ATOM 405 C GLN A 29 -8.573 -0.460 0.655 1.00 0.00 C ATOM 406 O GLN A 29 -7.850 -0.031 -0.245 1.00 0.00 O ATOM 407 CB GLN A 29 -7.747 -1.976 2.466 1.00 0.00 C ATOM 408 CG GLN A 29 -6.536 -2.534 1.735 1.00 0.00 C ATOM 409 CD GLN A 29 -6.230 -3.967 2.123 1.00 0.00 C ATOM 410 OE1 GLN A 29 -6.870 -4.533 3.010 1.00 0.00 O ATOM 411 NE2 GLN A 29 -5.246 -4.563 1.460 1.00 0.00 N ATOM 0 H GLN A 29 -9.271 -0.578 3.813 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.165 0.072 2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.572 -2.036 3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.613 -2.602 2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.709 -2.482 0.660 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.668 -1.910 1.949 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.742 -4.057 0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.995 -5.527 1.678 1.00 0.00 H new ATOM 420 N LEU A 30 -9.813 -0.888 0.445 1.00 0.00 N ATOM 421 CA LEU A 30 -10.411 -0.876 -0.886 1.00 0.00 C ATOM 422 C LEU A 30 -10.453 0.540 -1.452 1.00 0.00 C ATOM 423 O LEU A 30 -9.977 0.792 -2.559 1.00 0.00 O ATOM 424 CB LEU A 30 -11.824 -1.460 -0.837 1.00 0.00 C ATOM 425 CG LEU A 30 -11.921 -2.986 -0.872 1.00 0.00 C ATOM 426 CD1 LEU A 30 -11.004 -3.555 -1.944 1.00 0.00 C ATOM 427 CD2 LEU A 30 -11.581 -3.574 0.490 1.00 0.00 C ATOM 0 H LEU A 30 -10.424 -1.247 1.179 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.793 -1.491 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.311 -1.106 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.390 -1.060 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.947 -3.260 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.086 -4.642 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.294 -3.160 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.974 -3.271 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.655 -4.661 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.565 -3.291 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.279 -3.192 1.235 1.00 0.00 H new ATOM 439 N LEU A 31 -11.024 1.461 -0.684 1.00 0.00 N ATOM 440 CA LEU A 31 -11.126 2.853 -1.107 1.00 0.00 C ATOM 441 C LEU A 31 -9.743 3.473 -1.280 1.00 0.00 C ATOM 442 O LEU A 31 -9.583 4.471 -1.983 1.00 0.00 O ATOM 443 CB LEU A 31 -11.935 3.659 -0.088 1.00 0.00 C ATOM 444 CG LEU A 31 -11.884 5.179 -0.242 1.00 0.00 C ATOM 445 CD1 LEU A 31 -12.371 5.593 -1.622 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.713 5.853 0.842 1.00 0.00 C ATOM 0 H LEU A 31 -11.423 1.269 0.235 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.638 2.877 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.976 3.342 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.582 3.403 0.911 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.848 5.501 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.327 6.678 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.736 5.139 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.399 5.258 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.665 6.935 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.749 5.524 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.319 5.583 1.822 1.00 0.00 H new ATOM 458 N ASP A 32 -8.748 2.874 -0.636 1.00 0.00 N ATOM 459 CA ASP A 32 -7.377 3.365 -0.721 1.00 0.00 C ATOM 460 C ASP A 32 -6.747 2.987 -2.057 1.00 0.00 C ATOM 461 O ASP A 32 -6.175 3.832 -2.746 1.00 0.00 O ATOM 462 CB ASP A 32 -6.540 2.804 0.430 1.00 0.00 C ATOM 463 CG ASP A 32 -5.306 3.640 0.709 1.00 0.00 C ATOM 464 OD1 ASP A 32 -5.459 4.777 1.200 1.00 0.00 O ATOM 465 OD2 ASP A 32 -4.187 3.156 0.435 1.00 0.00 O ATOM 0 H ASP A 32 -8.865 2.048 -0.049 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.400 4.452 -0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.153 2.754 1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.238 1.784 0.193 1.00 0.00 H new ATOM 470 N MET A 33 -6.854 1.713 -2.417 1.00 0.00 N ATOM 471 CA MET A 33 -6.294 1.223 -3.671 1.00 0.00 C ATOM 472 C MET A 33 -7.135 1.683 -4.858 1.00 0.00 C ATOM 473 O MET A 33 -6.600 2.114 -5.880 1.00 0.00 O ATOM 474 CB MET A 33 -6.207 -0.304 -3.654 1.00 0.00 C ATOM 475 CG MET A 33 -7.556 -0.988 -3.505 1.00 0.00 C ATOM 476 SD MET A 33 -7.407 -2.726 -3.049 1.00 0.00 S ATOM 477 CE MET A 33 -8.396 -3.498 -4.328 1.00 0.00 C ATOM 0 H MET A 33 -7.324 1.001 -1.858 1.00 0.00 H new ATOM 0 HA MET A 33 -5.291 1.635 -3.777 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.737 -0.643 -4.577 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.559 -0.614 -2.834 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.142 -0.467 -2.748 1.00 0.00 H new ATOM 0 HG3 MET A 33 -8.105 -0.908 -4.443 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.430 -4.575 -4.161 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.408 -3.094 -4.299 1.00 0.00 H new ATOM 0 HE3 MET A 33 -7.952 -3.296 -5.303 1.00 0.00 H new ATOM 487 N HIS A 34 -8.453 1.588 -4.716 1.00 0.00 N ATOM 488 CA HIS A 34 -9.367 1.994 -5.777 1.00 0.00 C ATOM 489 C HIS A 34 -8.972 3.355 -6.343 1.00 0.00 C ATOM 490 O HIS A 34 -9.077 3.592 -7.547 1.00 0.00 O ATOM 491 CB HIS A 34 -10.802 2.045 -5.251 1.00 0.00 C ATOM 492 CG HIS A 34 -11.656 3.066 -5.938 1.00 0.00 C ATOM 493 ND1 HIS A 34 -12.461 2.770 -7.018 1.00 0.00 N ATOM 494 CD2 HIS A 34 -11.830 4.385 -5.692 1.00 0.00 C ATOM 495 CE1 HIS A 34 -13.091 3.864 -7.407 1.00 0.00 C ATOM 496 NE2 HIS A 34 -12.726 4.858 -6.619 1.00 0.00 N ATOM 0 H HIS A 34 -8.912 1.234 -3.877 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.307 1.256 -6.577 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -11.259 1.062 -5.369 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -10.781 2.260 -4.183 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -12.555 1.850 -7.449 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -11.353 4.959 -4.912 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -13.787 3.933 -8.230 1.00 0.00 H new ATOM 504 N PHE A 35 -8.519 4.246 -5.467 1.00 0.00 N ATOM 505 CA PHE A 35 -8.110 5.583 -5.879 1.00 0.00 C ATOM 506 C PHE A 35 -6.813 5.532 -6.681 1.00 0.00 C ATOM 507 O PHE A 35 -6.771 5.936 -7.844 1.00 0.00 O ATOM 508 CB PHE A 35 -7.931 6.485 -4.656 1.00 0.00 C ATOM 509 CG PHE A 35 -7.634 7.915 -5.004 1.00 0.00 C ATOM 510 CD1 PHE A 35 -6.456 8.255 -5.649 1.00 0.00 C ATOM 511 CD2 PHE A 35 -8.533 8.921 -4.685 1.00 0.00 C ATOM 512 CE1 PHE A 35 -6.180 9.571 -5.970 1.00 0.00 C ATOM 513 CE2 PHE A 35 -8.262 10.238 -5.004 1.00 0.00 C ATOM 514 CZ PHE A 35 -7.085 10.563 -5.648 1.00 0.00 C ATOM 0 H PHE A 35 -8.426 4.066 -4.467 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.894 5.995 -6.514 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.837 6.447 -4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.121 6.093 -4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.745 7.483 -5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.456 8.673 -4.181 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.258 9.823 -6.472 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.970 11.012 -4.750 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.872 11.592 -5.900 1.00 0.00 H new ATOM 524 N LYS A 36 -5.754 5.034 -6.052 1.00 0.00 N ATOM 525 CA LYS A 36 -4.455 4.929 -6.705 1.00 0.00 C ATOM 526 C LYS A 36 -4.504 3.932 -7.858 1.00 0.00 C ATOM 527 O LYS A 36 -3.555 3.818 -8.634 1.00 0.00 O ATOM 528 CB LYS A 36 -3.386 4.503 -5.695 1.00 0.00 C ATOM 529 CG LYS A 36 -2.682 5.671 -5.026 1.00 0.00 C ATOM 530 CD LYS A 36 -1.804 6.429 -6.008 1.00 0.00 C ATOM 531 CE LYS A 36 -1.185 7.661 -5.367 1.00 0.00 C ATOM 532 NZ LYS A 36 -2.169 8.772 -5.236 1.00 0.00 N ATOM 0 H LYS A 36 -5.770 4.696 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.198 5.910 -7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.849 3.882 -4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.645 3.885 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.423 6.348 -4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.073 5.305 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.015 5.772 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.397 6.727 -6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.797 7.402 -4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.338 7.995 -5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.704 9.599 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.534 9.026 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.957 8.468 -4.630 1.00 0.00 H new ATOM 546 N ARG A 37 -5.617 3.213 -7.965 1.00 0.00 N ATOM 547 CA ARG A 37 -5.790 2.226 -9.024 1.00 0.00 C ATOM 548 C ARG A 37 -6.605 2.803 -10.178 1.00 0.00 C ATOM 549 O ARG A 37 -6.113 2.925 -11.300 1.00 0.00 O ATOM 550 CB ARG A 37 -6.477 0.974 -8.477 1.00 0.00 C ATOM 551 CG ARG A 37 -7.096 0.098 -9.554 1.00 0.00 C ATOM 552 CD ARG A 37 -7.032 -1.374 -9.180 1.00 0.00 C ATOM 553 NE ARG A 37 -5.831 -2.021 -9.703 1.00 0.00 N ATOM 554 CZ ARG A 37 -5.561 -2.130 -10.999 1.00 0.00 C ATOM 555 NH1 ARG A 37 -6.402 -1.638 -11.899 1.00 0.00 N ATOM 556 NH2 ARG A 37 -4.448 -2.732 -11.397 1.00 0.00 N ATOM 0 H ARG A 37 -6.412 3.296 -7.331 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.803 1.956 -9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.750 0.387 -7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.254 1.274 -7.774 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.135 0.390 -9.710 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.575 0.258 -10.498 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.054 -1.473 -8.095 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.915 -1.884 -9.565 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.164 -2.410 -9.037 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.259 -1.174 -11.597 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.192 -1.723 -12.893 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.799 -3.112 -10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.241 -2.815 -12.392 1.00 0.00 H new ATOM 570 N TYR A 38 -7.853 3.157 -9.894 1.00 0.00 N ATOM 571 CA TYR A 38 -8.738 3.719 -10.908 1.00 0.00 C ATOM 572 C TYR A 38 -8.252 5.094 -11.353 1.00 0.00 C ATOM 573 O TYR A 38 -7.848 5.281 -12.501 1.00 0.00 O ATOM 574 CB TYR A 38 -10.166 3.820 -10.369 1.00 0.00 C ATOM 575 CG TYR A 38 -10.882 2.491 -10.298 1.00 0.00 C ATOM 576 CD1 TYR A 38 -10.415 1.471 -9.478 1.00 0.00 C ATOM 577 CD2 TYR A 38 -12.026 2.254 -11.051 1.00 0.00 C ATOM 578 CE1 TYR A 38 -11.065 0.254 -9.410 1.00 0.00 C ATOM 579 CE2 TYR A 38 -12.683 1.040 -10.988 1.00 0.00 C ATOM 580 CZ TYR A 38 -12.199 0.044 -10.167 1.00 0.00 C ATOM 581 OH TYR A 38 -12.851 -1.167 -10.103 1.00 0.00 O ATOM 0 H TYR A 38 -8.275 3.065 -8.970 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.729 3.054 -11.771 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.139 4.262 -9.373 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.738 4.498 -11.003 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.528 1.633 -8.883 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -12.408 3.032 -11.696 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.688 -0.528 -8.768 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -13.571 0.872 -11.579 1.00 0.00 H new ATOM 0 HH TYR A 38 -13.631 -1.150 -10.696 1.00 0.00 H new ATOM 591 N HIS A 39 -8.293 6.055 -10.436 1.00 0.00 N ATOM 592 CA HIS A 39 -7.856 7.415 -10.732 1.00 0.00 C ATOM 593 C HIS A 39 -6.402 7.429 -11.195 1.00 0.00 C ATOM 594 O HIS A 39 -5.906 8.445 -11.682 1.00 0.00 O ATOM 595 CB HIS A 39 -8.020 8.306 -9.501 1.00 0.00 C ATOM 596 CG HIS A 39 -9.432 8.394 -9.009 1.00 0.00 C ATOM 597 ND1 HIS A 39 -10.489 8.755 -9.818 1.00 0.00 N ATOM 598 CD2 HIS A 39 -9.959 8.165 -7.784 1.00 0.00 C ATOM 599 CE1 HIS A 39 -11.605 8.745 -9.111 1.00 0.00 C ATOM 600 NE2 HIS A 39 -11.311 8.389 -7.873 1.00 0.00 N ATOM 0 H HIS A 39 -8.624 5.917 -9.481 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.480 7.804 -11.537 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.388 7.924 -8.699 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.663 9.308 -9.738 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -10.420 8.993 -10.808 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.417 7.862 -6.900 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.590 8.987 -9.482 1.00 0.00 H new ATOM 608 N ASP A 40 -5.725 6.297 -11.037 1.00 0.00 N ATOM 609 CA ASP A 40 -4.328 6.179 -11.439 1.00 0.00 C ATOM 610 C ASP A 40 -3.989 4.739 -11.809 1.00 0.00 C ATOM 611 O ASP A 40 -3.951 3.847 -10.961 1.00 0.00 O ATOM 612 CB ASP A 40 -3.410 6.660 -10.315 1.00 0.00 C ATOM 613 CG ASP A 40 -2.115 7.251 -10.837 1.00 0.00 C ATOM 614 OD1 ASP A 40 -1.987 7.403 -12.071 1.00 0.00 O ATOM 615 OD2 ASP A 40 -1.231 7.564 -10.013 1.00 0.00 O ATOM 0 H ASP A 40 -6.121 5.448 -10.633 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.174 6.806 -12.317 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.932 7.408 -9.718 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.184 5.825 -9.652 1.00 0.00 H new ATOM 620 N PRO A 41 -3.738 4.504 -13.106 1.00 0.00 N ATOM 621 CA PRO A 41 -3.398 3.173 -13.618 1.00 0.00 C ATOM 622 C PRO A 41 -2.016 2.714 -13.166 1.00 0.00 C ATOM 623 O PRO A 41 -1.526 1.671 -13.597 1.00 0.00 O ATOM 624 CB PRO A 41 -3.429 3.359 -15.137 1.00 0.00 C ATOM 625 CG PRO A 41 -3.154 4.808 -15.347 1.00 0.00 C ATOM 626 CD PRO A 41 -3.765 5.520 -14.171 1.00 0.00 C ATOM 0 HA PRO A 41 -4.085 2.409 -13.254 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.679 2.739 -15.627 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.397 3.076 -15.551 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.082 4.998 -15.404 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.590 5.156 -16.283 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.193 6.406 -13.896 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.781 5.851 -14.385 1.00 0.00 H new ATOM 634 N ASN A 42 -1.392 3.499 -12.293 1.00 0.00 N ATOM 635 CA ASN A 42 -0.066 3.172 -11.783 1.00 0.00 C ATOM 636 C ASN A 42 -0.131 1.995 -10.814 1.00 0.00 C ATOM 637 O ASN A 42 0.476 0.949 -11.049 1.00 0.00 O ATOM 638 CB ASN A 42 0.549 4.387 -11.085 1.00 0.00 C ATOM 639 CG ASN A 42 1.180 5.358 -12.065 1.00 0.00 C ATOM 640 OD1 ASN A 42 2.070 4.992 -12.833 1.00 0.00 O ATOM 641 ND2 ASN A 42 0.720 6.603 -12.042 1.00 0.00 N ATOM 0 H ASN A 42 -1.784 4.366 -11.924 1.00 0.00 H new ATOM 0 HA ASN A 42 0.562 2.890 -12.629 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.222 4.902 -10.512 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.303 4.051 -10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.106 7.301 -12.678 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.019 6.862 -11.388 1.00 0.00 H new ATOM 648 N PHE A 43 -0.871 2.172 -9.725 1.00 0.00 N ATOM 649 CA PHE A 43 -1.015 1.125 -8.720 1.00 0.00 C ATOM 650 C PHE A 43 -1.392 -0.203 -9.369 1.00 0.00 C ATOM 651 O PHE A 43 -2.127 -0.239 -10.356 1.00 0.00 O ATOM 652 CB PHE A 43 -2.075 1.521 -7.689 1.00 0.00 C ATOM 653 CG PHE A 43 -2.136 0.596 -6.507 1.00 0.00 C ATOM 654 CD1 PHE A 43 -2.592 -0.704 -6.651 1.00 0.00 C ATOM 655 CD2 PHE A 43 -1.738 1.028 -5.252 1.00 0.00 C ATOM 656 CE1 PHE A 43 -2.649 -1.558 -5.565 1.00 0.00 C ATOM 657 CE2 PHE A 43 -1.792 0.179 -4.163 1.00 0.00 C ATOM 658 CZ PHE A 43 -2.250 -1.115 -4.320 1.00 0.00 C ATOM 0 H PHE A 43 -1.380 3.031 -9.516 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.056 1.004 -8.217 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.870 2.532 -7.339 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.051 1.544 -8.173 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.907 -1.055 -7.623 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.382 2.039 -5.124 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.005 -2.570 -5.691 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.477 0.527 -3.190 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.296 -1.779 -3.470 1.00 0.00 H new ATOM 668 N VAL A 44 -0.882 -1.295 -8.807 1.00 0.00 N ATOM 669 CA VAL A 44 -1.164 -2.627 -9.330 1.00 0.00 C ATOM 670 C VAL A 44 -0.845 -3.701 -8.297 1.00 0.00 C ATOM 671 O VAL A 44 0.315 -3.980 -7.992 1.00 0.00 O ATOM 672 CB VAL A 44 -0.359 -2.908 -10.613 1.00 0.00 C ATOM 673 CG1 VAL A 44 1.122 -2.648 -10.382 1.00 0.00 C ATOM 674 CG2 VAL A 44 -0.591 -4.336 -11.084 1.00 0.00 C ATOM 0 H VAL A 44 -0.272 -1.283 -7.990 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.228 -2.657 -9.564 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.704 -2.231 -11.394 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.675 -2.852 -11.299 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.268 -1.607 -10.094 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.486 -3.299 -9.587 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.015 -4.518 -11.991 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.274 -5.031 -10.307 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.651 -4.483 -11.291 1.00 0.00 H new ATOM 684 N PRO A 45 -1.898 -4.321 -7.743 1.00 0.00 N ATOM 685 CA PRO A 45 -1.757 -5.376 -6.736 1.00 0.00 C ATOM 686 C PRO A 45 -1.183 -6.662 -7.321 1.00 0.00 C ATOM 687 O PRO A 45 -1.512 -7.046 -8.443 1.00 0.00 O ATOM 688 CB PRO A 45 -3.192 -5.602 -6.254 1.00 0.00 C ATOM 689 CG PRO A 45 -4.047 -5.168 -7.394 1.00 0.00 C ATOM 690 CD PRO A 45 -3.309 -4.039 -8.059 1.00 0.00 C ATOM 0 HA PRO A 45 -1.067 -5.091 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.366 -6.649 -6.005 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.404 -5.021 -5.356 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.214 -5.989 -8.091 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.027 -4.842 -7.045 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.484 -4.023 -9.135 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.622 -3.070 -7.670 1.00 0.00 H new ATOM 698 N ALA A 46 -0.324 -7.324 -6.553 1.00 0.00 N ATOM 699 CA ALA A 46 0.294 -8.569 -6.994 1.00 0.00 C ATOM 700 C ALA A 46 -0.701 -9.723 -6.944 1.00 0.00 C ATOM 701 O ALA A 46 -1.062 -10.198 -5.867 1.00 0.00 O ATOM 702 CB ALA A 46 1.514 -8.884 -6.142 1.00 0.00 C ATOM 0 H ALA A 46 -0.040 -7.019 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 46 0.611 -8.442 -8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.965 -9.816 -6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.240 -8.076 -6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.213 -8.986 -5.099 1.00 0.00 H new ATOM 708 N ALA A 47 -1.142 -10.170 -8.115 1.00 0.00 N ATOM 709 CA ALA A 47 -2.095 -11.270 -8.204 1.00 0.00 C ATOM 710 C ALA A 47 -1.451 -12.506 -8.823 1.00 0.00 C ATOM 711 O ALA A 47 -1.180 -12.542 -10.023 1.00 0.00 O ATOM 712 CB ALA A 47 -3.314 -10.848 -9.011 1.00 0.00 C ATOM 0 H ALA A 47 -0.855 -9.787 -9.016 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.412 -11.526 -7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.017 -11.679 -9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.795 -9.999 -8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.004 -10.564 -10.017 1.00 0.00 H new ATOM 718 N PHE A 48 -1.206 -13.517 -7.996 1.00 0.00 N ATOM 719 CA PHE A 48 -0.591 -14.754 -8.462 1.00 0.00 C ATOM 720 C PHE A 48 -1.420 -15.965 -8.042 1.00 0.00 C ATOM 721 O PHE A 48 -1.732 -16.140 -6.864 1.00 0.00 O ATOM 722 CB PHE A 48 0.831 -14.881 -7.912 1.00 0.00 C ATOM 723 CG PHE A 48 1.737 -13.757 -8.329 1.00 0.00 C ATOM 724 CD1 PHE A 48 1.734 -12.555 -7.640 1.00 0.00 C ATOM 725 CD2 PHE A 48 2.591 -13.904 -9.410 1.00 0.00 C ATOM 726 CE1 PHE A 48 2.565 -11.520 -8.023 1.00 0.00 C ATOM 727 CE2 PHE A 48 3.426 -12.872 -9.796 1.00 0.00 C ATOM 728 CZ PHE A 48 3.414 -11.679 -9.101 1.00 0.00 C ATOM 0 H PHE A 48 -1.424 -13.504 -7.000 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.551 -14.722 -9.551 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.789 -14.919 -6.823 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.259 -15.826 -8.247 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.075 -12.426 -6.794 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.605 -14.835 -9.957 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.551 -10.587 -7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.087 -12.999 -10.640 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.067 -10.872 -9.399 1.00 0.00 H new ATOM 738 N VAL A 49 -1.775 -16.798 -9.015 1.00 0.00 N ATOM 739 CA VAL A 49 -2.567 -17.992 -8.748 1.00 0.00 C ATOM 740 C VAL A 49 -1.761 -19.258 -9.019 1.00 0.00 C ATOM 741 O VAL A 49 -1.032 -19.343 -10.007 1.00 0.00 O ATOM 742 CB VAL A 49 -3.847 -18.020 -9.604 1.00 0.00 C ATOM 743 CG1 VAL A 49 -4.365 -19.443 -9.746 1.00 0.00 C ATOM 744 CG2 VAL A 49 -4.911 -17.115 -9.000 1.00 0.00 C ATOM 0 H VAL A 49 -1.526 -16.668 -9.996 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.844 -17.959 -7.694 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.605 -17.646 -10.599 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.270 -19.442 -10.354 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.606 -20.060 -10.226 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.591 -19.848 -8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.809 -17.147 -9.617 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.151 -17.457 -7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.537 -16.092 -8.956 1.00 0.00 H new ATOM 754 N CYS A 50 -1.898 -20.240 -8.134 1.00 0.00 N ATOM 755 CA CYS A 50 -1.183 -21.503 -8.276 1.00 0.00 C ATOM 756 C CYS A 50 -1.500 -22.160 -9.616 1.00 0.00 C ATOM 757 O CYS A 50 -2.421 -21.745 -10.320 1.00 0.00 O ATOM 758 CB CYS A 50 -1.547 -22.450 -7.132 1.00 0.00 C ATOM 759 SG CYS A 50 -0.378 -23.829 -6.907 1.00 0.00 S ATOM 0 H CYS A 50 -2.498 -20.185 -7.311 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.114 -21.293 -8.239 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.601 -21.879 -6.205 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.542 -22.857 -7.314 1.00 0.00 H new ATOM 764 N SER A 51 -0.731 -23.187 -9.962 1.00 0.00 N ATOM 765 CA SER A 51 -0.927 -23.900 -11.219 1.00 0.00 C ATOM 766 C SER A 51 -1.291 -25.360 -10.965 1.00 0.00 C ATOM 767 O SER A 51 -1.764 -26.059 -11.860 1.00 0.00 O ATOM 768 CB SER A 51 0.336 -23.819 -12.078 1.00 0.00 C ATOM 769 OG SER A 51 0.283 -24.744 -13.151 1.00 0.00 O ATOM 0 H SER A 51 0.034 -23.544 -9.389 1.00 0.00 H new ATOM 0 HA SER A 51 -1.751 -23.426 -11.752 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.449 -22.808 -12.470 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.212 -24.021 -11.462 1.00 0.00 H new ATOM 0 HG SER A 51 1.101 -24.672 -13.686 1.00 0.00 H new ATOM 775 N LYS A 52 -1.065 -25.814 -9.736 1.00 0.00 N ATOM 776 CA LYS A 52 -1.369 -27.189 -9.361 1.00 0.00 C ATOM 777 C LYS A 52 -2.825 -27.326 -8.928 1.00 0.00 C ATOM 778 O LYS A 52 -3.527 -28.244 -9.354 1.00 0.00 O ATOM 779 CB LYS A 52 -0.444 -27.647 -8.230 1.00 0.00 C ATOM 780 CG LYS A 52 0.857 -28.259 -8.719 1.00 0.00 C ATOM 781 CD LYS A 52 1.715 -28.742 -7.562 1.00 0.00 C ATOM 782 CE LYS A 52 2.911 -29.545 -8.052 1.00 0.00 C ATOM 783 NZ LYS A 52 2.584 -30.990 -8.203 1.00 0.00 N ATOM 0 H LYS A 52 -0.672 -25.249 -8.983 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.207 -27.822 -10.234 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.217 -26.794 -7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.970 -28.377 -7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.640 -29.094 -9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.411 -27.522 -9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.062 -27.886 -6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.113 -29.356 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.248 -29.147 -9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.737 -29.431 -7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.424 -31.503 -8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.286 -31.376 -7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.813 -31.101 -8.892 1.00 0.00 H new ATOM 797 N CYS A 53 -3.274 -26.407 -8.079 1.00 0.00 N ATOM 798 CA CYS A 53 -4.647 -26.424 -7.589 1.00 0.00 C ATOM 799 C CYS A 53 -5.455 -25.279 -8.193 1.00 0.00 C ATOM 800 O CYS A 53 -6.564 -25.480 -8.685 1.00 0.00 O ATOM 801 CB CYS A 53 -4.667 -26.327 -6.062 1.00 0.00 C ATOM 802 SG CYS A 53 -3.867 -24.829 -5.403 1.00 0.00 S ATOM 0 H CYS A 53 -2.706 -25.641 -7.716 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.103 -27.366 -7.893 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.702 -26.354 -5.720 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.171 -27.204 -5.646 1.00 0.00 H new ATOM 807 N GLY A 54 -4.889 -24.077 -8.153 1.00 0.00 N ATOM 808 CA GLY A 54 -5.569 -22.918 -8.699 1.00 0.00 C ATOM 809 C GLY A 54 -5.944 -21.909 -7.632 1.00 0.00 C ATOM 810 O GLY A 54 -6.861 -21.108 -7.818 1.00 0.00 O ATOM 0 H GLY A 54 -3.971 -23.885 -7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.927 -22.439 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.469 -23.242 -9.221 1.00 0.00 H new ATOM 814 N LYS A 55 -5.235 -21.947 -6.509 1.00 0.00 N ATOM 815 CA LYS A 55 -5.498 -21.030 -5.406 1.00 0.00 C ATOM 816 C LYS A 55 -4.915 -19.650 -5.695 1.00 0.00 C ATOM 817 O LYS A 55 -4.152 -19.474 -6.645 1.00 0.00 O ATOM 818 CB LYS A 55 -4.910 -21.582 -4.105 1.00 0.00 C ATOM 819 CG LYS A 55 -5.871 -22.466 -3.330 1.00 0.00 C ATOM 820 CD LYS A 55 -5.133 -23.385 -2.371 1.00 0.00 C ATOM 821 CE LYS A 55 -5.994 -23.746 -1.171 1.00 0.00 C ATOM 822 NZ LYS A 55 -5.626 -25.073 -0.603 1.00 0.00 N ATOM 0 H LYS A 55 -4.473 -22.604 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.578 -20.933 -5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.011 -22.153 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.605 -20.749 -3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.571 -21.843 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.460 -23.063 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.835 -24.294 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.219 -22.899 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.886 -22.980 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.043 -23.756 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.236 -25.282 0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.753 -25.808 -1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.632 -25.056 -0.297 1.00 0.00 H new ATOM 836 N THR A 56 -5.278 -18.674 -4.869 1.00 0.00 N ATOM 837 CA THR A 56 -4.791 -17.311 -5.036 1.00 0.00 C ATOM 838 C THR A 56 -3.766 -16.958 -3.964 1.00 0.00 C ATOM 839 O THR A 56 -3.913 -17.337 -2.802 1.00 0.00 O ATOM 840 CB THR A 56 -5.944 -16.291 -4.982 1.00 0.00 C ATOM 841 OG1 THR A 56 -6.893 -16.678 -3.982 1.00 0.00 O ATOM 842 CG2 THR A 56 -6.637 -16.187 -6.332 1.00 0.00 C ATOM 0 H THR A 56 -5.908 -18.803 -4.077 1.00 0.00 H new ATOM 0 HA THR A 56 -4.319 -17.263 -6.017 1.00 0.00 H new ATOM 0 HB THR A 56 -5.527 -15.316 -4.729 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.622 -16.024 -3.952 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.448 -15.461 -6.270 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.919 -15.865 -7.086 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.042 -17.160 -6.609 1.00 0.00 H new ATOM 850 N PHE A 57 -2.728 -16.230 -4.361 1.00 0.00 N ATOM 851 CA PHE A 57 -1.678 -15.826 -3.433 1.00 0.00 C ATOM 852 C PHE A 57 -1.329 -14.351 -3.615 1.00 0.00 C ATOM 853 O PHE A 57 -1.393 -13.818 -4.723 1.00 0.00 O ATOM 854 CB PHE A 57 -0.429 -16.686 -3.637 1.00 0.00 C ATOM 855 CG PHE A 57 -0.618 -18.121 -3.237 1.00 0.00 C ATOM 856 CD1 PHE A 57 -1.465 -18.949 -3.956 1.00 0.00 C ATOM 857 CD2 PHE A 57 0.052 -18.642 -2.142 1.00 0.00 C ATOM 858 CE1 PHE A 57 -1.641 -20.270 -3.590 1.00 0.00 C ATOM 859 CE2 PHE A 57 -0.120 -19.963 -1.771 1.00 0.00 C ATOM 860 CZ PHE A 57 -0.968 -20.778 -2.496 1.00 0.00 C ATOM 0 H PHE A 57 -2.591 -15.908 -5.319 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.049 -15.971 -2.418 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.137 -16.645 -4.686 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.393 -16.262 -3.060 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.994 -18.557 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.716 -18.009 -1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.304 -20.905 -4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.408 -20.357 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.104 -21.810 -2.208 1.00 0.00 H new ATOM 870 N THR A 58 -0.959 -13.697 -2.519 1.00 0.00 N ATOM 871 CA THR A 58 -0.601 -12.285 -2.555 1.00 0.00 C ATOM 872 C THR A 58 0.854 -12.096 -2.968 1.00 0.00 C ATOM 873 O THR A 58 1.208 -11.094 -3.589 1.00 0.00 O ATOM 874 CB THR A 58 -0.826 -11.612 -1.188 1.00 0.00 C ATOM 875 OG1 THR A 58 -2.213 -11.668 -0.836 1.00 0.00 O ATOM 876 CG2 THR A 58 -0.363 -10.164 -1.214 1.00 0.00 C ATOM 0 H THR A 58 -0.899 -14.123 -1.594 1.00 0.00 H new ATOM 0 HA THR A 58 -1.250 -11.815 -3.294 1.00 0.00 H new ATOM 0 HB THR A 58 -0.240 -12.151 -0.443 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.347 -11.240 0.035 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.532 -9.710 -0.237 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.700 -10.126 -1.452 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.924 -9.616 -1.971 1.00 0.00 H new ATOM 884 N ARG A 59 1.693 -13.066 -2.620 1.00 0.00 N ATOM 885 CA ARG A 59 3.111 -13.007 -2.955 1.00 0.00 C ATOM 886 C ARG A 59 3.497 -14.147 -3.893 1.00 0.00 C ATOM 887 O ARG A 59 3.223 -15.314 -3.612 1.00 0.00 O ATOM 888 CB ARG A 59 3.960 -13.068 -1.684 1.00 0.00 C ATOM 889 CG ARG A 59 3.299 -13.831 -0.547 1.00 0.00 C ATOM 890 CD ARG A 59 2.413 -12.924 0.292 1.00 0.00 C ATOM 891 NE ARG A 59 3.183 -12.160 1.270 1.00 0.00 N ATOM 892 CZ ARG A 59 3.635 -12.669 2.411 1.00 0.00 C ATOM 893 NH1 ARG A 59 3.395 -13.937 2.715 1.00 0.00 N ATOM 894 NH2 ARG A 59 4.328 -11.910 3.250 1.00 0.00 N ATOM 0 H ARG A 59 1.416 -13.902 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 59 3.299 -12.062 -3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.916 -13.537 -1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.176 -12.052 -1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.703 -14.648 -0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.065 -14.279 0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.874 -12.238 -0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.665 -13.525 0.809 1.00 0.00 H new ATOM 0 HE ARG A 59 3.385 -11.181 1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.863 -14.524 2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.743 -14.326 3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.515 -10.934 3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.674 -12.302 4.126 1.00 0.00 H new ATOM 908 N ARG A 60 4.132 -13.800 -5.007 1.00 0.00 N ATOM 909 CA ARG A 60 4.554 -14.794 -5.987 1.00 0.00 C ATOM 910 C ARG A 60 5.575 -15.754 -5.383 1.00 0.00 C ATOM 911 O ARG A 60 5.318 -16.951 -5.259 1.00 0.00 O ATOM 912 CB ARG A 60 5.150 -14.107 -7.217 1.00 0.00 C ATOM 913 CG ARG A 60 5.822 -15.067 -8.185 1.00 0.00 C ATOM 914 CD ARG A 60 5.797 -14.532 -9.608 1.00 0.00 C ATOM 915 NE ARG A 60 6.931 -15.013 -10.394 1.00 0.00 N ATOM 916 CZ ARG A 60 7.155 -14.658 -11.654 1.00 0.00 C ATOM 917 NH1 ARG A 60 6.329 -13.822 -12.268 1.00 0.00 N ATOM 918 NH2 ARG A 60 8.209 -15.138 -12.302 1.00 0.00 N ATOM 0 H ARG A 60 4.366 -12.838 -5.254 1.00 0.00 H new ATOM 0 HA ARG A 60 3.676 -15.366 -6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.360 -13.570 -7.741 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.878 -13.364 -6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.854 -15.234 -7.876 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.318 -16.033 -8.149 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.867 -14.832 -10.092 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.808 -13.442 -9.586 1.00 0.00 H new ATOM 0 HE ARG A 60 7.586 -15.657 -9.951 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.519 -13.450 -11.773 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.504 -13.551 -13.236 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.848 -15.780 -11.832 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.381 -14.865 -13.270 1.00 0.00 H new ATOM 932 N ASN A 61 6.733 -15.220 -5.009 1.00 0.00 N ATOM 933 CA ASN A 61 7.793 -16.029 -4.420 1.00 0.00 C ATOM 934 C ASN A 61 7.211 -17.117 -3.522 1.00 0.00 C ATOM 935 O ASN A 61 7.721 -18.236 -3.473 1.00 0.00 O ATOM 936 CB ASN A 61 8.750 -15.146 -3.616 1.00 0.00 C ATOM 937 CG ASN A 61 8.026 -14.054 -2.853 1.00 0.00 C ATOM 938 OD1 ASN A 61 7.096 -14.324 -2.093 1.00 0.00 O ATOM 939 ND2 ASN A 61 8.451 -12.812 -3.052 1.00 0.00 N ATOM 0 H ASN A 61 6.961 -14.230 -5.103 1.00 0.00 H new ATOM 0 HA ASN A 61 8.344 -16.507 -5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.309 -15.766 -2.915 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.476 -14.693 -4.291 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.003 -12.036 -2.566 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.226 -12.634 -3.691 1.00 0.00 H new ATOM 946 N THR A 62 6.139 -16.779 -2.812 1.00 0.00 N ATOM 947 CA THR A 62 5.488 -17.726 -1.915 1.00 0.00 C ATOM 948 C THR A 62 4.615 -18.706 -2.690 1.00 0.00 C ATOM 949 O THR A 62 4.633 -19.909 -2.428 1.00 0.00 O ATOM 950 CB THR A 62 4.621 -17.002 -0.868 1.00 0.00 C ATOM 951 OG1 THR A 62 5.450 -16.215 -0.004 1.00 0.00 O ATOM 952 CG2 THR A 62 3.823 -18.000 -0.042 1.00 0.00 C ATOM 0 H THR A 62 5.704 -15.857 -2.841 1.00 0.00 H new ATOM 0 HA THR A 62 6.280 -18.274 -1.405 1.00 0.00 H new ATOM 0 HB THR A 62 3.924 -16.350 -1.395 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.984 -15.593 -0.541 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.219 -17.465 0.691 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.171 -18.577 -0.698 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.507 -18.674 0.474 1.00 0.00 H new ATOM 960 N MET A 63 3.852 -18.185 -3.645 1.00 0.00 N ATOM 961 CA MET A 63 2.974 -19.016 -4.460 1.00 0.00 C ATOM 962 C MET A 63 3.765 -20.111 -5.169 1.00 0.00 C ATOM 963 O MET A 63 3.368 -21.276 -5.169 1.00 0.00 O ATOM 964 CB MET A 63 2.233 -18.158 -5.488 1.00 0.00 C ATOM 965 CG MET A 63 1.071 -18.877 -6.154 1.00 0.00 C ATOM 966 SD MET A 63 0.792 -18.323 -7.847 1.00 0.00 S ATOM 967 CE MET A 63 2.347 -18.774 -8.612 1.00 0.00 C ATOM 0 H MET A 63 3.824 -17.191 -3.873 1.00 0.00 H new ATOM 0 HA MET A 63 2.246 -19.488 -3.800 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.860 -17.259 -4.998 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.937 -17.835 -6.255 1.00 0.00 H new ATOM 0 HG2 MET A 63 1.264 -19.950 -6.154 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.165 -18.716 -5.569 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.176 -19.039 -9.655 1.00 0.00 H new ATOM 0 HE2 MET A 63 3.036 -17.931 -8.560 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.777 -19.627 -8.087 1.00 0.00 H new ATOM 977 N ALA A 64 4.885 -19.728 -5.774 1.00 0.00 N ATOM 978 CA ALA A 64 5.732 -20.677 -6.485 1.00 0.00 C ATOM 979 C ALA A 64 6.166 -21.818 -5.570 1.00 0.00 C ATOM 980 O ALA A 64 6.099 -22.988 -5.947 1.00 0.00 O ATOM 981 CB ALA A 64 6.948 -19.969 -7.064 1.00 0.00 C ATOM 0 H ALA A 64 5.226 -18.767 -5.786 1.00 0.00 H new ATOM 0 HA ALA A 64 5.151 -21.103 -7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.572 -20.690 -7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.622 -19.194 -7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.523 -19.515 -6.257 1.00 0.00 H new ATOM 987 N ARG A 65 6.613 -21.468 -4.368 1.00 0.00 N ATOM 988 CA ARG A 65 7.061 -22.463 -3.401 1.00 0.00 C ATOM 989 C ARG A 65 5.922 -23.408 -3.026 1.00 0.00 C ATOM 990 O ARG A 65 6.074 -24.629 -3.074 1.00 0.00 O ATOM 991 CB ARG A 65 7.602 -21.777 -2.146 1.00 0.00 C ATOM 992 CG ARG A 65 8.990 -21.183 -2.327 1.00 0.00 C ATOM 993 CD ARG A 65 9.441 -20.432 -1.084 1.00 0.00 C ATOM 994 NE ARG A 65 9.671 -21.330 0.044 1.00 0.00 N ATOM 995 CZ ARG A 65 9.668 -20.933 1.312 1.00 0.00 C ATOM 996 NH1 ARG A 65 9.447 -19.661 1.611 1.00 0.00 N ATOM 997 NH2 ARG A 65 9.885 -21.810 2.284 1.00 0.00 N ATOM 0 H ARG A 65 6.674 -20.504 -4.041 1.00 0.00 H new ATOM 0 HA ARG A 65 7.859 -23.047 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.913 -20.986 -1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.629 -22.499 -1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.701 -21.978 -2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.989 -20.507 -3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.357 -19.884 -1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.686 -19.694 -0.812 1.00 0.00 H new ATOM 0 HE ARG A 65 9.843 -22.316 -0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.279 -18.984 0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.445 -19.359 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.054 -22.790 2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.882 -21.504 3.257 1.00 0.00 H new ATOM 1011 N HIS A 66 4.783 -22.834 -2.653 1.00 0.00 N ATOM 1012 CA HIS A 66 3.618 -23.625 -2.270 1.00 0.00 C ATOM 1013 C HIS A 66 3.389 -24.767 -3.255 1.00 0.00 C ATOM 1014 O HIS A 66 3.048 -25.881 -2.860 1.00 0.00 O ATOM 1015 CB HIS A 66 2.374 -22.739 -2.200 1.00 0.00 C ATOM 1016 CG HIS A 66 1.093 -23.488 -2.403 1.00 0.00 C ATOM 1017 ND1 HIS A 66 0.505 -24.254 -1.419 1.00 0.00 N ATOM 1018 CD2 HIS A 66 0.286 -23.584 -3.485 1.00 0.00 C ATOM 1019 CE1 HIS A 66 -0.607 -24.790 -1.887 1.00 0.00 C ATOM 1020 NE2 HIS A 66 -0.764 -24.399 -3.139 1.00 0.00 N ATOM 0 H HIS A 66 4.641 -21.825 -2.608 1.00 0.00 H new ATOM 0 HA HIS A 66 3.807 -24.051 -1.285 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.345 -22.243 -1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.452 -21.957 -2.956 1.00 0.00 H new ATOM 0 HD1 HIS A 66 0.872 -24.386 -0.476 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.439 -23.108 -4.442 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.275 -25.438 -1.339 1.00 0.00 H new ATOM 1028 N ALA A 67 3.579 -24.482 -4.539 1.00 0.00 N ATOM 1029 CA ALA A 67 3.395 -25.485 -5.580 1.00 0.00 C ATOM 1030 C ALA A 67 4.125 -26.778 -5.232 1.00 0.00 C ATOM 1031 O ALA A 67 3.576 -27.870 -5.375 1.00 0.00 O ATOM 1032 CB ALA A 67 3.875 -24.949 -6.921 1.00 0.00 C ATOM 0 H ALA A 67 3.860 -23.564 -4.883 1.00 0.00 H new ATOM 0 HA ALA A 67 2.330 -25.708 -5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.731 -25.709 -7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.305 -24.057 -7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.933 -24.696 -6.854 1.00 0.00 H new ATOM 1038 N ASP A 68 5.366 -26.646 -4.777 1.00 0.00 N ATOM 1039 CA ASP A 68 6.172 -27.804 -4.408 1.00 0.00 C ATOM 1040 C ASP A 68 5.436 -28.679 -3.398 1.00 0.00 C ATOM 1041 O ASP A 68 5.346 -29.895 -3.565 1.00 0.00 O ATOM 1042 CB ASP A 68 7.515 -27.355 -3.830 1.00 0.00 C ATOM 1043 CG ASP A 68 8.567 -28.444 -3.895 1.00 0.00 C ATOM 1044 OD1 ASP A 68 8.263 -29.587 -3.497 1.00 0.00 O ATOM 1045 OD2 ASP A 68 9.696 -28.153 -4.345 1.00 0.00 O ATOM 0 H ASP A 68 5.836 -25.749 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 68 6.352 -28.392 -5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.868 -26.480 -4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.377 -27.049 -2.793 1.00 0.00 H new ATOM 1050 N ASN A 69 4.913 -28.052 -2.350 1.00 0.00 N ATOM 1051 CA ASN A 69 4.187 -28.774 -1.311 1.00 0.00 C ATOM 1052 C ASN A 69 2.702 -28.864 -1.649 1.00 0.00 C ATOM 1053 O ASN A 69 1.909 -29.399 -0.874 1.00 0.00 O ATOM 1054 CB ASN A 69 4.373 -28.087 0.043 1.00 0.00 C ATOM 1055 CG ASN A 69 5.797 -27.613 0.259 1.00 0.00 C ATOM 1056 OD1 ASN A 69 6.058 -26.412 0.340 1.00 0.00 O ATOM 1057 ND2 ASN A 69 6.726 -28.556 0.355 1.00 0.00 N ATOM 0 H ASN A 69 4.978 -27.046 -2.197 1.00 0.00 H new ATOM 0 HA ASN A 69 4.591 -29.785 -1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.695 -27.236 0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.098 -28.779 0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.702 -28.298 0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.464 -29.539 0.282 1.00 0.00 H new ATOM 1064 N CYS A 70 2.332 -28.337 -2.812 1.00 0.00 N ATOM 1065 CA CYS A 70 0.943 -28.357 -3.254 1.00 0.00 C ATOM 1066 C CYS A 70 0.569 -29.728 -3.811 1.00 0.00 C ATOM 1067 O CYS A 70 1.331 -30.331 -4.565 1.00 0.00 O ATOM 1068 CB CYS A 70 0.708 -27.281 -4.316 1.00 0.00 C ATOM 1069 SG CYS A 70 -0.936 -27.353 -5.096 1.00 0.00 S ATOM 0 H CYS A 70 2.976 -27.891 -3.465 1.00 0.00 H new ATOM 0 HA CYS A 70 0.310 -28.150 -2.391 1.00 0.00 H new ATOM 0 HB2 CYS A 70 0.839 -26.300 -3.859 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.470 -27.377 -5.090 1.00 0.00 H new ATOM 1074 N ALA A 71 -0.610 -30.212 -3.434 1.00 0.00 N ATOM 1075 CA ALA A 71 -1.086 -31.510 -3.898 1.00 0.00 C ATOM 1076 C ALA A 71 -1.992 -31.359 -5.115 1.00 0.00 C ATOM 1077 O ALA A 71 -1.885 -32.116 -6.079 1.00 0.00 O ATOM 1078 CB ALA A 71 -1.819 -32.234 -2.778 1.00 0.00 C ATOM 0 H ALA A 71 -1.253 -29.725 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.220 -32.103 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.169 -33.201 -3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.142 -32.383 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.672 -31.637 -2.456 1.00 0.00 H new ATOM 1084 N GLY A 72 -2.887 -30.376 -5.063 1.00 0.00 N ATOM 1085 CA GLY A 72 -3.799 -30.145 -6.167 1.00 0.00 C ATOM 1086 C GLY A 72 -5.075 -29.452 -5.730 1.00 0.00 C ATOM 1087 O GLY A 72 -5.151 -28.869 -4.648 1.00 0.00 O ATOM 0 H GLY A 72 -2.996 -29.736 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.301 -29.539 -6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.048 -31.098 -6.634 1.00 0.00 H new ATOM 1091 N PRO A 73 -6.107 -29.510 -6.584 1.00 0.00 N ATOM 1092 CA PRO A 73 -7.404 -28.888 -6.302 1.00 0.00 C ATOM 1093 C PRO A 73 -8.160 -29.603 -5.188 1.00 0.00 C ATOM 1094 O PRO A 73 -8.783 -30.641 -5.414 1.00 0.00 O ATOM 1095 CB PRO A 73 -8.157 -29.020 -7.629 1.00 0.00 C ATOM 1096 CG PRO A 73 -7.534 -30.194 -8.302 1.00 0.00 C ATOM 1097 CD PRO A 73 -6.088 -30.188 -7.892 1.00 0.00 C ATOM 0 HA PRO A 73 -7.296 -27.860 -5.958 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.223 -29.177 -7.465 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.057 -28.118 -8.233 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.021 -31.121 -8.000 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.633 -30.121 -9.385 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.688 -31.199 -7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.468 -29.654 -8.612 1.00 0.00 H new ATOM 1105 N ASP A 74 -8.101 -29.042 -3.985 1.00 0.00 N ATOM 1106 CA ASP A 74 -8.782 -29.626 -2.835 1.00 0.00 C ATOM 1107 C ASP A 74 -8.680 -28.709 -1.620 1.00 0.00 C ATOM 1108 O ASP A 74 -7.586 -28.317 -1.215 1.00 0.00 O ATOM 1109 CB ASP A 74 -8.188 -30.997 -2.506 1.00 0.00 C ATOM 1110 CG ASP A 74 -6.679 -30.956 -2.368 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -6.192 -30.510 -1.308 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -5.985 -31.370 -3.320 1.00 0.00 O ATOM 0 H ASP A 74 -7.589 -28.184 -3.781 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.835 -29.746 -3.090 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.625 -31.366 -1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.459 -31.705 -3.289 1.00 0.00 H new ATOM 1117 N GLY A 75 -9.829 -28.369 -1.043 1.00 0.00 N ATOM 1118 CA GLY A 75 -9.846 -27.500 0.119 1.00 0.00 C ATOM 1119 C GLY A 75 -11.014 -26.533 0.102 1.00 0.00 C ATOM 1120 O GLY A 75 -11.948 -26.691 -0.684 1.00 0.00 O ATOM 0 H GLY A 75 -10.748 -28.680 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.894 -28.108 1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.913 -26.938 0.162 1.00 0.00 H new ATOM 1124 N VAL A 76 -10.963 -25.530 0.972 1.00 0.00 N ATOM 1125 CA VAL A 76 -12.025 -24.534 1.055 1.00 0.00 C ATOM 1126 C VAL A 76 -11.628 -23.247 0.341 1.00 0.00 C ATOM 1127 O VAL A 76 -10.523 -23.135 -0.189 1.00 0.00 O ATOM 1128 CB VAL A 76 -12.377 -24.209 2.519 1.00 0.00 C ATOM 1129 CG1 VAL A 76 -12.947 -25.435 3.216 1.00 0.00 C ATOM 1130 CG2 VAL A 76 -11.154 -23.686 3.257 1.00 0.00 C ATOM 0 H VAL A 76 -10.197 -25.385 1.630 1.00 0.00 H new ATOM 0 HA VAL A 76 -12.900 -24.962 0.566 1.00 0.00 H new ATOM 0 HB VAL A 76 -13.139 -23.429 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -13.190 -25.186 4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -13.850 -25.760 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.210 -26.238 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.421 -23.461 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.369 -24.442 3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.795 -22.780 2.770 1.00 0.00 H new ATOM 1140 N GLU A 77 -12.537 -22.277 0.333 1.00 0.00 N ATOM 1141 CA GLU A 77 -12.280 -20.997 -0.316 1.00 0.00 C ATOM 1142 C GLU A 77 -12.926 -19.853 0.461 1.00 0.00 C ATOM 1143 O GLU A 77 -13.623 -20.076 1.450 1.00 0.00 O ATOM 1144 CB GLU A 77 -12.808 -21.013 -1.753 1.00 0.00 C ATOM 1145 CG GLU A 77 -12.025 -21.929 -2.678 1.00 0.00 C ATOM 1146 CD GLU A 77 -12.647 -22.034 -4.057 1.00 0.00 C ATOM 1147 OE1 GLU A 77 -13.660 -22.751 -4.197 1.00 0.00 O ATOM 1148 OE2 GLU A 77 -12.121 -21.401 -4.996 1.00 0.00 O ATOM 0 H GLU A 77 -13.456 -22.353 0.768 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.202 -20.838 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.852 -21.326 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.782 -19.999 -2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.004 -21.559 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.965 -22.923 -2.234 1.00 0.00 H new ATOM 1155 N GLY A 78 -12.688 -18.627 0.006 1.00 0.00 N ATOM 1156 CA GLY A 78 -13.252 -17.466 0.670 1.00 0.00 C ATOM 1157 C GLY A 78 -13.260 -16.238 -0.217 1.00 0.00 C ATOM 1158 O GLY A 78 -12.686 -16.247 -1.305 1.00 0.00 O ATOM 0 H GLY A 78 -12.115 -18.417 -0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.271 -17.690 0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.680 -17.254 1.573 1.00 0.00 H new ATOM 1162 N GLU A 79 -13.914 -15.178 0.249 1.00 0.00 N ATOM 1163 CA GLU A 79 -13.997 -13.937 -0.513 1.00 0.00 C ATOM 1164 C GLU A 79 -13.492 -12.757 0.313 1.00 0.00 C ATOM 1165 O GLU A 79 -14.122 -12.355 1.290 1.00 0.00 O ATOM 1166 CB GLU A 79 -15.438 -13.681 -0.959 1.00 0.00 C ATOM 1167 CG GLU A 79 -15.944 -14.682 -1.984 1.00 0.00 C ATOM 1168 CD GLU A 79 -14.995 -14.850 -3.155 1.00 0.00 C ATOM 1169 OE1 GLU A 79 -14.277 -13.881 -3.478 1.00 0.00 O ATOM 1170 OE2 GLU A 79 -14.970 -15.949 -3.747 1.00 0.00 O ATOM 0 H GLU A 79 -14.393 -15.154 1.149 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.364 -14.039 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -16.090 -13.707 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.507 -12.677 -1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.093 -15.648 -1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.917 -14.357 -2.353 1.00 0.00 H new ATOM 1177 N ASN A 80 -12.349 -12.208 -0.087 1.00 0.00 N ATOM 1178 CA ASN A 80 -11.758 -11.076 0.616 1.00 0.00 C ATOM 1179 C ASN A 80 -12.485 -9.780 0.269 1.00 0.00 C ATOM 1180 O ASN A 80 -12.881 -9.022 1.155 1.00 0.00 O ATOM 1181 CB ASN A 80 -10.274 -10.950 0.267 1.00 0.00 C ATOM 1182 CG ASN A 80 -10.041 -10.810 -1.225 1.00 0.00 C ATOM 1183 OD1 ASN A 80 -10.793 -11.352 -2.035 1.00 0.00 O ATOM 1184 ND2 ASN A 80 -8.995 -10.080 -1.594 1.00 0.00 N ATOM 0 H ASN A 80 -11.814 -12.529 -0.894 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.859 -11.253 1.687 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.855 -10.084 0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.741 -11.827 0.634 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.788 -9.950 -2.584 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.399 -9.649 -0.887 1.00 0.00 H new ATOM 1191 N SER A 81 -12.657 -9.533 -1.025 1.00 0.00 N ATOM 1192 CA SER A 81 -13.334 -8.328 -1.490 1.00 0.00 C ATOM 1193 C SER A 81 -14.667 -8.673 -2.148 1.00 0.00 C ATOM 1194 O SER A 81 -15.073 -9.834 -2.183 1.00 0.00 O ATOM 1195 CB SER A 81 -12.446 -7.568 -2.478 1.00 0.00 C ATOM 1196 OG SER A 81 -11.934 -8.436 -3.475 1.00 0.00 O ATOM 0 H SER A 81 -12.337 -10.151 -1.771 1.00 0.00 H new ATOM 0 HA SER A 81 -13.529 -7.694 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 81 -13.020 -6.769 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.621 -7.097 -1.943 1.00 0.00 H new ATOM 0 HG SER A 81 -11.371 -7.926 -4.095 1.00 0.00 H new ATOM 1202 N GLY A 82 -15.344 -7.654 -2.669 1.00 0.00 N ATOM 1203 CA GLY A 82 -16.624 -7.868 -3.318 1.00 0.00 C ATOM 1204 C GLY A 82 -16.884 -6.870 -4.429 1.00 0.00 C ATOM 1205 O GLY A 82 -16.408 -5.735 -4.397 1.00 0.00 O ATOM 0 H GLY A 82 -15.029 -6.684 -2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.657 -8.878 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.420 -7.798 -2.577 1.00 0.00 H new ATOM 1209 N PRO A 83 -17.657 -7.294 -5.441 1.00 0.00 N ATOM 1210 CA PRO A 83 -17.996 -6.444 -6.586 1.00 0.00 C ATOM 1211 C PRO A 83 -18.944 -5.312 -6.208 1.00 0.00 C ATOM 1212 O PRO A 83 -19.178 -5.054 -5.027 1.00 0.00 O ATOM 1213 CB PRO A 83 -18.680 -7.413 -7.555 1.00 0.00 C ATOM 1214 CG PRO A 83 -19.224 -8.495 -6.688 1.00 0.00 C ATOM 1215 CD PRO A 83 -18.258 -8.634 -5.544 1.00 0.00 C ATOM 0 HA PRO A 83 -17.117 -5.951 -7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -19.473 -6.918 -8.115 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -17.973 -7.808 -8.285 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -20.221 -8.242 -6.328 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.312 -9.431 -7.240 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -18.765 -8.919 -4.622 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.506 -9.398 -5.743 1.00 0.00 H new ATOM 1223 N SER A 84 -19.487 -4.639 -7.217 1.00 0.00 N ATOM 1224 CA SER A 84 -20.408 -3.531 -6.989 1.00 0.00 C ATOM 1225 C SER A 84 -21.772 -4.042 -6.536 1.00 0.00 C ATOM 1226 O SER A 84 -22.176 -5.154 -6.878 1.00 0.00 O ATOM 1227 CB SER A 84 -20.561 -2.697 -8.262 1.00 0.00 C ATOM 1228 OG SER A 84 -21.591 -1.734 -8.121 1.00 0.00 O ATOM 0 H SER A 84 -19.305 -4.841 -8.200 1.00 0.00 H new ATOM 0 HA SER A 84 -19.994 -2.904 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.619 -2.196 -8.488 1.00 0.00 H new ATOM 0 HB3 SER A 84 -20.784 -3.352 -9.105 1.00 0.00 H new ATOM 0 HG SER A 84 -21.667 -1.213 -8.948 1.00 0.00 H new ATOM 1234 N SER A 85 -22.477 -3.223 -5.763 1.00 0.00 N ATOM 1235 CA SER A 85 -23.795 -3.592 -5.258 1.00 0.00 C ATOM 1236 C SER A 85 -24.860 -2.620 -5.757 1.00 0.00 C ATOM 1237 O SER A 85 -24.546 -1.576 -6.326 1.00 0.00 O ATOM 1238 CB SER A 85 -23.789 -3.620 -3.729 1.00 0.00 C ATOM 1239 OG SER A 85 -23.618 -2.318 -3.196 1.00 0.00 O ATOM 0 H SER A 85 -22.158 -2.299 -5.472 1.00 0.00 H new ATOM 0 HA SER A 85 -24.034 -4.588 -5.631 1.00 0.00 H new ATOM 0 HB2 SER A 85 -24.725 -4.045 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 85 -22.987 -4.269 -3.377 1.00 0.00 H new ATOM 0 HG SER A 85 -23.619 -2.363 -2.217 1.00 0.00 H new ATOM 1245 N GLY A 86 -26.123 -2.973 -5.538 1.00 0.00 N ATOM 1246 CA GLY A 86 -27.216 -2.123 -5.971 1.00 0.00 C ATOM 1247 C GLY A 86 -27.192 -0.762 -5.304 1.00 0.00 C ATOM 1248 O GLY A 86 -27.667 -0.640 -4.176 1.00 0.00 O ATOM 0 H GLY A 86 -26.408 -3.832 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -27.166 -1.995 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -28.164 -2.615 -5.752 1.00 0.00 H new TER 1252 GLY A 86 HETATM 1253 ZN ZN A 201 -12.714 7.208 -6.378 1.00 0.00 ZN HETATM 1254 ZN ZN A 401 -1.518 -25.104 -5.262 1.00 0.00 ZN