USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 HIS : no HD1:sc= 0.76 K(o=0.44,f=-4.3!) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= -0.317 USER MOD Set 2.1: A 72 THR OG1 : rot 75:sc= 1.21 USER MOD Set 2.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 63 ASN : amide:sc= 0.691 K(o=1.5,f=-2.4) USER MOD Set 3.2: A 71 LYS NZ :NH3+ 180:sc= 0.836 (180deg=0) USER MOD Single : A 7 SER OG : rot -164:sc= -0.0312 USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= -0.062 (180deg=-0.38) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= 1.18 (180deg=0.365) USER MOD Single : A 17 SER OG : rot 125:sc= 1.25 USER MOD Single : A 20 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.56) USER MOD Single : A 21 LYS NZ :NH3+ 136:sc= 0.697 (180deg=-0.327!) USER MOD Single : A 22 THR OG1 : rot 64:sc= 0.26 USER MOD Single : A 23 HIS : no HE2:sc= -1.16 X(o=-1.2,f=-1.6) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= 1.18 (180deg=0.793!) USER MOD Single : A 33 ASN : amide:sc= -1.4! C(o=-1.4!,f=-2.3!) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc=-0.00192 (180deg=-0.0618) USER MOD Single : A 43 TYR OH : rot 180:sc=-0.00575 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0122) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= -0.0121 (180deg=-0.19) USER MOD Single : A 50 THR OG1 : rot 101:sc= 1.29 USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= 1.24 (180deg=1.04) USER MOD Single : A 57 SER OG : rot -35:sc= 1.18 USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.11) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -1.02 K(o=-1,f=-0.46) USER MOD Single : A 70 GLN : amide:sc= -0.808 K(o=-0.81,f=-0.044) USER MOD Single : A 73 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 76 GLN : amide:sc= -1.55! K(o=-1.5!,f=-0.62) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.049 K(o=-0.049,f=-11!) USER MOD Single : A 96 THR OG1 : rot -60:sc= 0.135 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0344 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 7 5.442 -11.388 -6.742 1.00 0.00 N ATOM 78 CA SER A 7 4.929 -11.529 -5.393 1.00 0.00 C ATOM 79 C SER A 7 4.173 -12.848 -5.252 1.00 0.00 C ATOM 80 O SER A 7 3.761 -13.446 -6.251 1.00 0.00 O ATOM 81 CB SER A 7 4.018 -10.344 -5.051 1.00 0.00 C ATOM 82 OG SER A 7 3.562 -10.410 -3.709 1.00 0.00 O ATOM 0 HA SER A 7 5.765 -11.536 -4.694 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.559 -9.411 -5.207 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.163 -10.334 -5.727 1.00 0.00 H new ATOM 0 HG SER A 7 2.802 -9.802 -3.591 1.00 0.00 H new ATOM 88 N LYS A 8 3.998 -13.298 -4.014 1.00 0.00 N ATOM 89 CA LYS A 8 3.271 -14.533 -3.740 1.00 0.00 C ATOM 90 C LYS A 8 1.849 -14.441 -4.277 1.00 0.00 C ATOM 91 O LYS A 8 1.309 -15.408 -4.810 1.00 0.00 O ATOM 92 CB LYS A 8 3.234 -14.809 -2.238 1.00 0.00 C ATOM 93 CG LYS A 8 4.600 -15.026 -1.615 1.00 0.00 C ATOM 94 CD LYS A 8 4.496 -15.214 -0.110 1.00 0.00 C ATOM 95 CE LYS A 8 5.841 -15.561 0.503 1.00 0.00 C ATOM 96 NZ LYS A 8 6.360 -16.856 -0.004 1.00 0.00 N ATOM 0 H LYS A 8 4.351 -12.825 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 8 3.789 -15.352 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.747 -13.972 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.619 -15.691 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.071 -15.902 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.242 -14.173 -1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.112 -14.301 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.780 -16.006 0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.557 -14.770 0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.745 -15.607 1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.100 -17.208 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.584 -17.547 -0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.760 -16.722 -0.955 1.00 0.00 H new ATOM 110 N GLU A 9 1.263 -13.256 -4.147 1.00 0.00 N ATOM 111 CA GLU A 9 -0.093 -13.001 -4.620 1.00 0.00 C ATOM 112 C GLU A 9 -0.177 -13.170 -6.134 1.00 0.00 C ATOM 113 O GLU A 9 -1.195 -13.606 -6.665 1.00 0.00 O ATOM 114 CB GLU A 9 -0.529 -11.594 -4.206 1.00 0.00 C ATOM 115 CG GLU A 9 0.397 -10.498 -4.709 1.00 0.00 C ATOM 116 CD GLU A 9 0.249 -9.208 -3.935 1.00 0.00 C ATOM 117 OE1 GLU A 9 1.025 -8.995 -2.981 1.00 0.00 O ATOM 118 OE2 GLU A 9 -0.637 -8.396 -4.277 1.00 0.00 O ATOM 0 H GLU A 9 1.711 -12.449 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.768 -13.726 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.535 -11.409 -4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.581 -11.544 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.429 -10.841 -4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.192 -10.310 -5.763 1.00 0.00 H new ATOM 125 N GLU A 10 0.912 -12.835 -6.815 1.00 0.00 N ATOM 126 CA GLU A 10 1.000 -12.980 -8.244 1.00 0.00 C ATOM 127 C GLU A 10 1.110 -14.448 -8.620 1.00 0.00 C ATOM 128 O GLU A 10 0.295 -14.964 -9.377 1.00 0.00 O ATOM 129 CB GLU A 10 2.216 -12.218 -8.741 1.00 0.00 C ATOM 130 CG GLU A 10 2.078 -10.712 -8.649 1.00 0.00 C ATOM 131 CD GLU A 10 3.283 -9.999 -9.210 1.00 0.00 C ATOM 132 OE1 GLU A 10 4.206 -9.685 -8.431 1.00 0.00 O ATOM 133 OE2 GLU A 10 3.313 -9.753 -10.433 1.00 0.00 O ATOM 0 H GLU A 10 1.754 -12.456 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 10 0.100 -12.577 -8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.088 -12.529 -8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.405 -12.493 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.186 -10.396 -9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.939 -10.424 -7.607 1.00 0.00 H new ATOM 140 N LEU A 11 2.109 -15.117 -8.053 1.00 0.00 N ATOM 141 CA LEU A 11 2.381 -16.518 -8.361 1.00 0.00 C ATOM 142 C LEU A 11 1.171 -17.395 -8.049 1.00 0.00 C ATOM 143 O LEU A 11 0.853 -18.325 -8.791 1.00 0.00 O ATOM 144 CB LEU A 11 3.596 -17.004 -7.562 1.00 0.00 C ATOM 145 CG LEU A 11 4.881 -16.199 -7.772 1.00 0.00 C ATOM 146 CD1 LEU A 11 5.982 -16.696 -6.848 1.00 0.00 C ATOM 147 CD2 LEU A 11 5.328 -16.282 -9.223 1.00 0.00 C ATOM 0 H LEU A 11 2.749 -14.708 -7.372 1.00 0.00 H new ATOM 0 HA LEU A 11 2.593 -16.596 -9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.344 -16.985 -6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.791 -18.044 -7.825 1.00 0.00 H new ATOM 0 HG LEU A 11 4.676 -15.156 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.887 -16.111 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.663 -16.588 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.186 -17.746 -7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.243 -15.704 -9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.515 -17.323 -9.487 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.547 -15.878 -9.868 1.00 0.00 H new ATOM 159 N LEU A 12 0.496 -17.081 -6.953 1.00 0.00 N ATOM 160 CA LEU A 12 -0.674 -17.831 -6.534 1.00 0.00 C ATOM 161 C LEU A 12 -1.845 -17.592 -7.481 1.00 0.00 C ATOM 162 O LEU A 12 -2.602 -18.513 -7.783 1.00 0.00 O ATOM 163 CB LEU A 12 -1.064 -17.443 -5.107 1.00 0.00 C ATOM 164 CG LEU A 12 -2.269 -18.185 -4.534 1.00 0.00 C ATOM 165 CD1 LEU A 12 -1.993 -19.680 -4.452 1.00 0.00 C ATOM 166 CD2 LEU A 12 -2.621 -17.628 -3.165 1.00 0.00 C ATOM 0 H LEU A 12 0.742 -16.307 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.426 -18.892 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.208 -17.616 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.272 -16.373 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.119 -18.036 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.865 -20.189 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.784 -20.067 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.132 -19.856 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.482 -18.164 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.772 -17.751 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.862 -16.569 -3.254 1.00 0.00 H new ATOM 178 N ARG A 13 -1.983 -16.362 -7.970 1.00 0.00 N ATOM 179 CA ARG A 13 -3.115 -16.017 -8.818 1.00 0.00 C ATOM 180 C ARG A 13 -2.906 -16.536 -10.241 1.00 0.00 C ATOM 181 O ARG A 13 -3.847 -16.599 -11.029 1.00 0.00 O ATOM 182 CB ARG A 13 -3.367 -14.504 -8.811 1.00 0.00 C ATOM 183 CG ARG A 13 -2.510 -13.708 -9.780 1.00 0.00 C ATOM 184 CD ARG A 13 -2.556 -12.219 -9.473 1.00 0.00 C ATOM 185 NE ARG A 13 -3.920 -11.727 -9.260 1.00 0.00 N ATOM 186 CZ ARG A 13 -4.262 -10.439 -9.325 1.00 0.00 C ATOM 187 NH1 ARG A 13 -3.379 -9.533 -9.723 1.00 0.00 N ATOM 188 NH2 ARG A 13 -5.497 -10.055 -9.024 1.00 0.00 N ATOM 0 H ARG A 13 -1.332 -15.597 -7.795 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.002 -16.502 -8.411 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.416 -14.324 -9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.196 -14.127 -7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.479 -14.059 -9.729 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.855 -13.881 -10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.958 -12.017 -8.584 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.100 -11.668 -10.296 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.650 -12.408 -9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.435 -9.820 -9.981 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.644 -8.549 -9.771 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.191 -10.746 -8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.751 -9.069 -9.076 1.00 0.00 H new ATOM 202 N GLU A 14 -1.671 -16.921 -10.555 1.00 0.00 N ATOM 203 CA GLU A 14 -1.371 -17.571 -11.828 1.00 0.00 C ATOM 204 C GLU A 14 -1.963 -18.977 -11.829 1.00 0.00 C ATOM 205 O GLU A 14 -2.267 -19.545 -12.877 1.00 0.00 O ATOM 206 CB GLU A 14 0.144 -17.640 -12.057 1.00 0.00 C ATOM 207 CG GLU A 14 0.832 -16.284 -12.014 1.00 0.00 C ATOM 208 CD GLU A 14 2.331 -16.379 -12.209 1.00 0.00 C ATOM 209 OE1 GLU A 14 2.849 -15.806 -13.191 1.00 0.00 O ATOM 210 OE2 GLU A 14 3.004 -17.031 -11.389 1.00 0.00 O ATOM 0 H GLU A 14 -0.863 -16.794 -9.946 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.812 -16.987 -12.636 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.588 -18.287 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.335 -18.104 -13.025 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.410 -15.643 -12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.624 -15.807 -11.056 1.00 0.00 H new ATOM 217 N LYS A 15 -2.127 -19.519 -10.629 1.00 0.00 N ATOM 218 CA LYS A 15 -2.725 -20.829 -10.429 1.00 0.00 C ATOM 219 C LYS A 15 -4.240 -20.721 -10.279 1.00 0.00 C ATOM 220 O LYS A 15 -4.927 -21.723 -10.088 1.00 0.00 O ATOM 221 CB LYS A 15 -2.139 -21.466 -9.173 1.00 0.00 C ATOM 222 CG LYS A 15 -0.661 -21.772 -9.273 1.00 0.00 C ATOM 223 CD LYS A 15 -0.077 -22.058 -7.903 1.00 0.00 C ATOM 224 CE LYS A 15 1.113 -22.999 -7.980 1.00 0.00 C ATOM 225 NZ LYS A 15 0.692 -24.375 -8.353 1.00 0.00 N ATOM 0 H LYS A 15 -1.847 -19.058 -9.763 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.506 -21.445 -11.301 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.305 -20.798 -8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.678 -22.390 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.506 -22.631 -9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.140 -20.929 -9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.230 -21.122 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.845 -22.495 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.828 -22.625 -8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.624 -23.021 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.439 -25.050 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.186 -24.618 -7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.528 -24.422 -9.379 1.00 0.00 H new ATOM 239 N LEU A 16 -4.749 -19.502 -10.361 1.00 0.00 N ATOM 240 CA LEU A 16 -6.161 -19.245 -10.138 1.00 0.00 C ATOM 241 C LEU A 16 -6.870 -18.926 -11.445 1.00 0.00 C ATOM 242 O LEU A 16 -6.249 -18.475 -12.407 1.00 0.00 O ATOM 243 CB LEU A 16 -6.339 -18.068 -9.172 1.00 0.00 C ATOM 244 CG LEU A 16 -5.738 -18.253 -7.778 1.00 0.00 C ATOM 245 CD1 LEU A 16 -5.924 -16.991 -6.951 1.00 0.00 C ATOM 246 CD2 LEU A 16 -6.372 -19.441 -7.078 1.00 0.00 C ATOM 0 H LEU A 16 -4.200 -18.671 -10.582 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.599 -20.145 -9.707 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.894 -17.181 -9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.405 -17.870 -9.064 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.671 -18.446 -7.885 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.491 -17.137 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.427 -16.156 -7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.988 -16.773 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.932 -19.557 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.445 -19.276 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.195 -20.344 -7.662 1.00 0.00 H new ATOM 258 N SER A 17 -8.171 -19.166 -11.474 1.00 0.00 N ATOM 259 CA SER A 17 -9.002 -18.725 -12.577 1.00 0.00 C ATOM 260 C SER A 17 -9.310 -17.237 -12.400 1.00 0.00 C ATOM 261 O SER A 17 -8.905 -16.647 -11.400 1.00 0.00 O ATOM 262 CB SER A 17 -10.277 -19.563 -12.626 1.00 0.00 C ATOM 263 OG SER A 17 -10.848 -19.690 -11.336 1.00 0.00 O ATOM 0 H SER A 17 -8.674 -19.666 -10.741 1.00 0.00 H new ATOM 0 HA SER A 17 -8.482 -18.859 -13.525 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.996 -19.100 -13.302 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.052 -20.551 -13.028 1.00 0.00 H new ATOM 0 HG SER A 17 -11.776 -19.377 -11.357 1.00 0.00 H new ATOM 269 N GLU A 18 -10.044 -16.634 -13.326 1.00 0.00 N ATOM 270 CA GLU A 18 -10.175 -15.179 -13.346 1.00 0.00 C ATOM 271 C GLU A 18 -11.016 -14.711 -12.169 1.00 0.00 C ATOM 272 O GLU A 18 -10.737 -13.682 -11.554 1.00 0.00 O ATOM 273 CB GLU A 18 -10.793 -14.705 -14.664 1.00 0.00 C ATOM 274 CG GLU A 18 -10.107 -15.269 -15.901 1.00 0.00 C ATOM 275 CD GLU A 18 -8.594 -15.229 -15.813 1.00 0.00 C ATOM 276 OE1 GLU A 18 -8.003 -14.144 -15.994 1.00 0.00 O ATOM 277 OE2 GLU A 18 -7.987 -16.289 -15.566 1.00 0.00 O ATOM 0 H GLU A 18 -10.552 -17.120 -14.065 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.179 -14.744 -13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.846 -14.987 -14.683 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.754 -13.616 -14.702 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.429 -16.300 -16.049 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.429 -14.705 -16.776 1.00 0.00 H new ATOM 284 N ASP A 19 -12.025 -15.502 -11.855 1.00 0.00 N ATOM 285 CA ASP A 19 -12.894 -15.247 -10.720 1.00 0.00 C ATOM 286 C ASP A 19 -12.107 -15.344 -9.415 1.00 0.00 C ATOM 287 O ASP A 19 -12.196 -14.462 -8.563 1.00 0.00 O ATOM 288 CB ASP A 19 -14.081 -16.227 -10.736 1.00 0.00 C ATOM 289 CG ASP A 19 -13.669 -17.688 -10.753 1.00 0.00 C ATOM 290 OD1 ASP A 19 -14.225 -18.480 -9.971 1.00 0.00 O ATOM 291 OD2 ASP A 19 -12.802 -18.058 -11.567 1.00 0.00 O ATOM 0 H ASP A 19 -12.266 -16.342 -12.381 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.290 -14.234 -10.792 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -14.703 -16.045 -9.859 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -14.697 -16.023 -11.612 1.00 0.00 H new ATOM 296 N GLN A 20 -11.295 -16.388 -9.294 1.00 0.00 N ATOM 297 CA GLN A 20 -10.460 -16.583 -8.113 1.00 0.00 C ATOM 298 C GLN A 20 -9.410 -15.473 -8.004 1.00 0.00 C ATOM 299 O GLN A 20 -9.026 -15.075 -6.905 1.00 0.00 O ATOM 300 CB GLN A 20 -9.784 -17.956 -8.172 1.00 0.00 C ATOM 301 CG GLN A 20 -10.760 -19.124 -8.132 1.00 0.00 C ATOM 302 CD GLN A 20 -11.317 -19.393 -6.747 1.00 0.00 C ATOM 303 OE1 GLN A 20 -12.314 -18.804 -6.340 1.00 0.00 O ATOM 304 NE2 GLN A 20 -10.694 -20.318 -6.028 1.00 0.00 N ATOM 0 H GLN A 20 -11.197 -17.116 -10.002 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.093 -16.539 -7.227 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.192 -18.020 -9.085 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.091 -18.045 -7.336 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.585 -18.923 -8.815 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.258 -20.021 -8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.868 -20.785 -6.403 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.041 -20.563 -5.101 1.00 0.00 H new ATOM 313 N LYS A 21 -8.951 -14.970 -9.151 1.00 0.00 N ATOM 314 CA LYS A 21 -7.996 -13.860 -9.182 1.00 0.00 C ATOM 315 C LYS A 21 -8.606 -12.595 -8.591 1.00 0.00 C ATOM 316 O LYS A 21 -7.912 -11.801 -7.951 1.00 0.00 O ATOM 317 CB LYS A 21 -7.540 -13.564 -10.613 1.00 0.00 C ATOM 318 CG LYS A 21 -6.700 -14.660 -11.243 1.00 0.00 C ATOM 319 CD LYS A 21 -6.401 -14.345 -12.699 1.00 0.00 C ATOM 320 CE LYS A 21 -5.683 -15.494 -13.385 1.00 0.00 C ATOM 321 NZ LYS A 21 -5.453 -15.220 -14.828 1.00 0.00 N ATOM 0 H LYS A 21 -9.225 -15.314 -10.071 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.137 -14.163 -8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.420 -13.395 -11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.966 -12.637 -10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.766 -14.770 -10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.226 -15.612 -11.173 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.332 -14.132 -13.224 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.788 -13.445 -12.759 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.727 -15.671 -12.892 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.271 -16.406 -13.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.484 -15.498 -15.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.131 -15.765 -15.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.583 -14.205 -15.014 1.00 0.00 H new ATOM 335 N THR A 22 -9.898 -12.406 -8.827 1.00 0.00 N ATOM 336 CA THR A 22 -10.607 -11.243 -8.317 1.00 0.00 C ATOM 337 C THR A 22 -10.693 -11.280 -6.795 1.00 0.00 C ATOM 338 O THR A 22 -10.376 -10.300 -6.124 1.00 0.00 O ATOM 339 CB THR A 22 -12.027 -11.155 -8.907 1.00 0.00 C ATOM 340 OG1 THR A 22 -11.957 -11.103 -10.337 1.00 0.00 O ATOM 341 CG2 THR A 22 -12.764 -9.929 -8.390 1.00 0.00 C ATOM 0 H THR A 22 -10.477 -13.047 -9.370 1.00 0.00 H new ATOM 0 HA THR A 22 -10.043 -10.361 -8.621 1.00 0.00 H new ATOM 0 HB THR A 22 -12.577 -12.043 -8.596 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.580 -11.941 -10.677 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.763 -9.895 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.842 -9.983 -7.304 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.216 -9.030 -8.670 1.00 0.00 H new ATOM 349 N HIS A 23 -11.103 -12.419 -6.255 1.00 0.00 N ATOM 350 CA HIS A 23 -11.253 -12.570 -4.812 1.00 0.00 C ATOM 351 C HIS A 23 -9.895 -12.598 -4.120 1.00 0.00 C ATOM 352 O HIS A 23 -9.790 -12.321 -2.929 1.00 0.00 O ATOM 353 CB HIS A 23 -12.063 -13.824 -4.495 1.00 0.00 C ATOM 354 CG HIS A 23 -13.448 -13.755 -5.051 1.00 0.00 C ATOM 355 ND1 HIS A 23 -13.811 -14.481 -6.154 1.00 0.00 N ATOM 356 CD2 HIS A 23 -14.497 -13.001 -4.651 1.00 0.00 C ATOM 357 CE1 HIS A 23 -15.063 -14.154 -6.407 1.00 0.00 C ATOM 358 NE2 HIS A 23 -15.524 -13.260 -5.521 1.00 0.00 N ATOM 0 H HIS A 23 -11.338 -13.253 -6.793 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.796 -11.706 -4.428 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.553 -14.697 -4.902 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.113 -13.959 -3.415 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -13.231 -15.140 -6.674 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.521 -12.325 -3.809 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.643 -14.556 -7.224 1.00 0.00 H new ATOM 366 N LEU A 24 -8.860 -12.926 -4.882 1.00 0.00 N ATOM 367 CA LEU A 24 -7.490 -12.825 -4.400 1.00 0.00 C ATOM 368 C LEU A 24 -7.177 -11.357 -4.096 1.00 0.00 C ATOM 369 O LEU A 24 -6.739 -11.010 -3.001 1.00 0.00 O ATOM 370 CB LEU A 24 -6.538 -13.404 -5.465 1.00 0.00 C ATOM 371 CG LEU A 24 -5.071 -13.604 -5.055 1.00 0.00 C ATOM 372 CD1 LEU A 24 -4.296 -12.296 -5.118 1.00 0.00 C ATOM 373 CD2 LEU A 24 -4.983 -14.222 -3.666 1.00 0.00 C ATOM 0 H LEU A 24 -8.945 -13.266 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.357 -13.397 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.934 -14.367 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.560 -12.745 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.614 -14.292 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.262 -12.471 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.321 -11.907 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.749 -11.572 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.936 -14.356 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.465 -13.563 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.485 -15.190 -3.666 1.00 0.00 H new ATOM 385 N ASP A 25 -7.448 -10.502 -5.074 1.00 0.00 N ATOM 386 CA ASP A 25 -7.269 -9.054 -4.933 1.00 0.00 C ATOM 387 C ASP A 25 -8.233 -8.494 -3.885 1.00 0.00 C ATOM 388 O ASP A 25 -7.874 -7.618 -3.098 1.00 0.00 O ATOM 389 CB ASP A 25 -7.509 -8.379 -6.287 1.00 0.00 C ATOM 390 CG ASP A 25 -7.219 -6.892 -6.277 1.00 0.00 C ATOM 391 OD1 ASP A 25 -6.073 -6.505 -6.581 1.00 0.00 O ATOM 392 OD2 ASP A 25 -8.142 -6.103 -5.996 1.00 0.00 O ATOM 0 H ASP A 25 -7.798 -10.788 -5.988 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.250 -8.851 -4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.884 -8.859 -7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.545 -8.538 -6.585 1.00 0.00 H new ATOM 397 N TRP A 26 -9.456 -9.020 -3.879 1.00 0.00 N ATOM 398 CA TRP A 26 -10.471 -8.634 -2.901 1.00 0.00 C ATOM 399 C TRP A 26 -9.976 -8.894 -1.483 1.00 0.00 C ATOM 400 O TRP A 26 -10.137 -8.058 -0.593 1.00 0.00 O ATOM 401 CB TRP A 26 -11.767 -9.417 -3.154 1.00 0.00 C ATOM 402 CG TRP A 26 -12.883 -9.093 -2.200 1.00 0.00 C ATOM 403 CD1 TRP A 26 -13.832 -8.126 -2.352 1.00 0.00 C ATOM 404 CD2 TRP A 26 -13.174 -9.747 -0.955 1.00 0.00 C ATOM 405 NE1 TRP A 26 -14.690 -8.131 -1.280 1.00 0.00 N ATOM 406 CE2 TRP A 26 -14.308 -9.118 -0.411 1.00 0.00 C ATOM 407 CE3 TRP A 26 -12.584 -10.802 -0.248 1.00 0.00 C ATOM 408 CZ2 TRP A 26 -14.862 -9.508 0.805 1.00 0.00 C ATOM 409 CZ3 TRP A 26 -13.137 -11.186 0.959 1.00 0.00 C ATOM 410 CH2 TRP A 26 -14.267 -10.541 1.473 1.00 0.00 C ATOM 0 H TRP A 26 -9.770 -9.722 -4.548 1.00 0.00 H new ATOM 0 HA TRP A 26 -10.669 -7.568 -3.010 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -12.105 -9.218 -4.171 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.551 -10.484 -3.093 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -13.899 -7.453 -3.194 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -15.483 -7.502 -1.152 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.713 -11.306 -0.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -15.733 -9.011 1.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -12.690 -11.997 1.514 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.678 -10.866 2.417 1.00 0.00 H new ATOM 421 N LEU A 27 -9.367 -10.057 -1.281 1.00 0.00 N ATOM 422 CA LEU A 27 -8.870 -10.443 0.029 1.00 0.00 C ATOM 423 C LEU A 27 -7.760 -9.502 0.486 1.00 0.00 C ATOM 424 O LEU A 27 -7.594 -9.259 1.680 1.00 0.00 O ATOM 425 CB LEU A 27 -8.372 -11.889 0.005 1.00 0.00 C ATOM 426 CG LEU A 27 -7.908 -12.438 1.353 1.00 0.00 C ATOM 427 CD1 LEU A 27 -9.008 -12.301 2.389 1.00 0.00 C ATOM 428 CD2 LEU A 27 -7.493 -13.889 1.211 1.00 0.00 C ATOM 0 H LEU A 27 -9.206 -10.749 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.691 -10.370 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.172 -12.526 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.546 -11.961 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.047 -11.859 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.660 -12.697 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.269 -11.249 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.886 -12.858 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.164 -14.270 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.340 -14.477 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.675 -13.965 0.494 1.00 0.00 H new ATOM 440 N LYS A 28 -7.009 -8.968 -0.470 1.00 0.00 N ATOM 441 CA LYS A 28 -5.985 -7.979 -0.168 1.00 0.00 C ATOM 442 C LYS A 28 -6.611 -6.749 0.468 1.00 0.00 C ATOM 443 O LYS A 28 -6.143 -6.262 1.495 1.00 0.00 O ATOM 444 CB LYS A 28 -5.227 -7.594 -1.439 1.00 0.00 C ATOM 445 CG LYS A 28 -4.365 -6.349 -1.294 1.00 0.00 C ATOM 446 CD LYS A 28 -3.093 -6.436 -2.122 1.00 0.00 C ATOM 447 CE LYS A 28 -1.942 -6.984 -1.292 1.00 0.00 C ATOM 448 NZ LYS A 28 -0.639 -6.934 -2.008 1.00 0.00 N ATOM 0 H LYS A 28 -7.091 -9.204 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.278 -8.414 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.593 -8.429 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.945 -7.434 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.938 -5.474 -1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.105 -6.208 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.261 -7.078 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.834 -5.448 -2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.864 -6.414 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.159 -8.015 -1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.041 -7.564 -1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.772 -7.243 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.274 -5.960 -1.997 1.00 0.00 H new ATOM 462 N GLU A 29 -7.675 -6.265 -0.149 1.00 0.00 N ATOM 463 CA GLU A 29 -8.414 -5.127 0.384 1.00 0.00 C ATOM 464 C GLU A 29 -9.079 -5.484 1.710 1.00 0.00 C ATOM 465 O GLU A 29 -9.134 -4.668 2.629 1.00 0.00 O ATOM 466 CB GLU A 29 -9.480 -4.661 -0.605 1.00 0.00 C ATOM 467 CG GLU A 29 -8.935 -4.265 -1.964 1.00 0.00 C ATOM 468 CD GLU A 29 -9.996 -3.637 -2.842 1.00 0.00 C ATOM 469 OE1 GLU A 29 -10.067 -2.392 -2.891 1.00 0.00 O ATOM 470 OE2 GLU A 29 -10.773 -4.380 -3.477 1.00 0.00 O ATOM 0 H GLU A 29 -8.049 -6.641 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.700 -4.320 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.211 -5.459 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.010 -3.811 -0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.111 -3.563 -1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.528 -5.145 -2.461 1.00 0.00 H new ATOM 477 N ALA A 30 -9.585 -6.708 1.794 1.00 0.00 N ATOM 478 CA ALA A 30 -10.268 -7.186 2.989 1.00 0.00 C ATOM 479 C ALA A 30 -9.327 -7.228 4.189 1.00 0.00 C ATOM 480 O ALA A 30 -9.658 -6.734 5.268 1.00 0.00 O ATOM 481 CB ALA A 30 -10.856 -8.566 2.739 1.00 0.00 C ATOM 0 H ALA A 30 -9.534 -7.394 1.040 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.073 -6.487 3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.364 -8.913 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.569 -8.514 1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.057 -9.261 2.482 1.00 0.00 H new ATOM 487 N LEU A 31 -8.158 -7.823 3.995 1.00 0.00 N ATOM 488 CA LEU A 31 -7.171 -7.944 5.060 1.00 0.00 C ATOM 489 C LEU A 31 -6.480 -6.610 5.319 1.00 0.00 C ATOM 490 O LEU A 31 -6.062 -6.322 6.444 1.00 0.00 O ATOM 491 CB LEU A 31 -6.145 -9.029 4.710 1.00 0.00 C ATOM 492 CG LEU A 31 -6.709 -10.454 4.680 1.00 0.00 C ATOM 493 CD1 LEU A 31 -5.638 -11.449 4.269 1.00 0.00 C ATOM 494 CD2 LEU A 31 -7.284 -10.832 6.036 1.00 0.00 C ATOM 0 H LEU A 31 -7.869 -8.231 3.106 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.687 -8.235 5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.714 -8.802 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.332 -8.989 5.435 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.510 -10.484 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.061 -12.454 4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.269 -11.196 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.814 -11.412 4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.679 -11.847 5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.500 -10.779 6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.086 -10.141 6.297 1.00 0.00 H new ATOM 506 N GLY A 32 -6.354 -5.800 4.277 1.00 0.00 N ATOM 507 CA GLY A 32 -5.772 -4.481 4.422 1.00 0.00 C ATOM 508 C GLY A 32 -4.258 -4.519 4.465 1.00 0.00 C ATOM 509 O GLY A 32 -3.588 -3.944 3.608 1.00 0.00 O ATOM 0 H GLY A 32 -6.646 -6.035 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.093 -3.852 3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.147 -4.020 5.336 1.00 0.00 H new ATOM 513 N ASN A 33 -3.720 -5.203 5.463 1.00 0.00 N ATOM 514 CA ASN A 33 -2.277 -5.304 5.626 1.00 0.00 C ATOM 515 C ASN A 33 -1.708 -6.360 4.694 1.00 0.00 C ATOM 516 O ASN A 33 -2.157 -7.508 4.691 1.00 0.00 O ATOM 517 CB ASN A 33 -1.912 -5.640 7.077 1.00 0.00 C ATOM 518 CG ASN A 33 -0.409 -5.729 7.293 1.00 0.00 C ATOM 519 OD1 ASN A 33 0.375 -5.131 6.557 1.00 0.00 O ATOM 520 ND2 ASN A 33 0.001 -6.462 8.316 1.00 0.00 N ATOM 0 H ASN A 33 -4.261 -5.697 6.173 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.843 -4.336 5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.327 -4.879 7.738 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.373 -6.588 7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.998 -6.546 8.516 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.680 -6.943 8.904 1.00 0.00 H new ATOM 527 N ASP A 34 -0.718 -5.962 3.908 1.00 0.00 N ATOM 528 CA ASP A 34 -0.037 -6.872 2.995 1.00 0.00 C ATOM 529 C ASP A 34 0.579 -8.030 3.769 1.00 0.00 C ATOM 530 O ASP A 34 0.615 -9.159 3.294 1.00 0.00 O ATOM 531 CB ASP A 34 1.048 -6.123 2.220 1.00 0.00 C ATOM 532 CG ASP A 34 1.674 -6.961 1.123 1.00 0.00 C ATOM 533 OD1 ASP A 34 2.753 -7.542 1.355 1.00 0.00 O ATOM 534 OD2 ASP A 34 1.098 -7.030 0.016 1.00 0.00 O ATOM 0 H ASP A 34 -0.365 -5.005 3.884 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.765 -7.270 2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.618 -5.222 1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.825 -5.801 2.913 1.00 0.00 H new ATOM 539 N GLY A 35 1.034 -7.734 4.981 1.00 0.00 N ATOM 540 CA GLY A 35 1.601 -8.758 5.845 1.00 0.00 C ATOM 541 C GLY A 35 0.599 -9.846 6.197 1.00 0.00 C ATOM 542 O GLY A 35 0.940 -11.031 6.211 1.00 0.00 O ATOM 0 H GLY A 35 1.021 -6.797 5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.462 -9.208 5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.965 -8.294 6.762 1.00 0.00 H new ATOM 546 N GLU A 36 -0.641 -9.454 6.478 1.00 0.00 N ATOM 547 CA GLU A 36 -1.681 -10.421 6.809 1.00 0.00 C ATOM 548 C GLU A 36 -2.168 -11.142 5.557 1.00 0.00 C ATOM 549 O GLU A 36 -2.615 -12.285 5.619 1.00 0.00 O ATOM 550 CB GLU A 36 -2.850 -9.729 7.508 1.00 0.00 C ATOM 551 CG GLU A 36 -2.447 -9.038 8.797 1.00 0.00 C ATOM 552 CD GLU A 36 -1.742 -9.973 9.759 1.00 0.00 C ATOM 553 OE1 GLU A 36 -2.426 -10.645 10.554 1.00 0.00 O ATOM 554 OE2 GLU A 36 -0.496 -10.041 9.719 1.00 0.00 O ATOM 0 H GLU A 36 -0.948 -8.481 6.483 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.254 -11.160 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.288 -8.996 6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.624 -10.465 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.792 -8.198 8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.334 -8.627 9.279 1.00 0.00 H new ATOM 561 N PHE A 37 -2.073 -10.469 4.423 1.00 0.00 N ATOM 562 CA PHE A 37 -2.443 -11.068 3.153 1.00 0.00 C ATOM 563 C PHE A 37 -1.384 -12.084 2.730 1.00 0.00 C ATOM 564 O PHE A 37 -1.701 -13.140 2.179 1.00 0.00 O ATOM 565 CB PHE A 37 -2.623 -9.972 2.101 1.00 0.00 C ATOM 566 CG PHE A 37 -3.085 -10.477 0.767 1.00 0.00 C ATOM 567 CD1 PHE A 37 -2.339 -10.239 -0.372 1.00 0.00 C ATOM 568 CD2 PHE A 37 -4.266 -11.189 0.656 1.00 0.00 C ATOM 569 CE1 PHE A 37 -2.765 -10.698 -1.601 1.00 0.00 C ATOM 570 CE2 PHE A 37 -4.696 -11.653 -0.568 1.00 0.00 C ATOM 571 CZ PHE A 37 -3.944 -11.407 -1.698 1.00 0.00 C ATOM 0 H PHE A 37 -1.742 -9.506 4.356 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.390 -11.597 3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.343 -9.242 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.676 -9.448 1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.413 -9.688 -0.299 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.857 -11.383 1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.177 -10.503 -2.485 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.620 -12.208 -0.643 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.279 -11.770 -2.659 1.00 0.00 H new ATOM 581 N ASP A 38 -0.128 -11.759 3.022 1.00 0.00 N ATOM 582 CA ASP A 38 1.000 -12.658 2.782 1.00 0.00 C ATOM 583 C ASP A 38 0.792 -13.967 3.524 1.00 0.00 C ATOM 584 O ASP A 38 1.134 -15.041 3.031 1.00 0.00 O ATOM 585 CB ASP A 38 2.287 -12.006 3.273 1.00 0.00 C ATOM 586 CG ASP A 38 3.538 -12.701 2.770 1.00 0.00 C ATOM 587 OD1 ASP A 38 4.100 -12.253 1.750 1.00 0.00 O ATOM 588 OD2 ASP A 38 3.982 -13.676 3.412 1.00 0.00 O ATOM 0 H ASP A 38 0.138 -10.864 3.432 1.00 0.00 H new ATOM 0 HA ASP A 38 1.070 -12.856 1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.304 -10.964 2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.293 -12.005 4.363 1.00 0.00 H new ATOM 593 N LYS A 39 0.233 -13.847 4.719 1.00 0.00 N ATOM 594 CA LYS A 39 -0.124 -14.997 5.546 1.00 0.00 C ATOM 595 C LYS A 39 -0.934 -16.014 4.736 1.00 0.00 C ATOM 596 O LYS A 39 -0.647 -17.212 4.754 1.00 0.00 O ATOM 597 CB LYS A 39 -0.944 -14.525 6.752 1.00 0.00 C ATOM 598 CG LYS A 39 -1.174 -15.584 7.821 1.00 0.00 C ATOM 599 CD LYS A 39 0.088 -15.848 8.628 1.00 0.00 C ATOM 600 CE LYS A 39 0.562 -14.592 9.349 1.00 0.00 C ATOM 601 NZ LYS A 39 -0.403 -14.123 10.381 1.00 0.00 N ATOM 0 H LYS A 39 0.012 -12.948 5.147 1.00 0.00 H new ATOM 0 HA LYS A 39 0.791 -15.479 5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.438 -13.674 7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.912 -14.169 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.973 -15.260 8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.507 -16.510 7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.102 -16.637 9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.876 -16.208 7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.524 -14.790 9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.722 -13.798 8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.012 -13.329 10.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.281 -13.810 9.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.616 -14.902 11.037 1.00 0.00 H new ATOM 615 N PHE A 40 -1.928 -15.514 4.011 1.00 0.00 N ATOM 616 CA PHE A 40 -2.797 -16.348 3.188 1.00 0.00 C ATOM 617 C PHE A 40 -2.029 -16.941 2.012 1.00 0.00 C ATOM 618 O PHE A 40 -2.289 -18.065 1.580 1.00 0.00 O ATOM 619 CB PHE A 40 -3.967 -15.505 2.677 1.00 0.00 C ATOM 620 CG PHE A 40 -4.940 -16.253 1.812 1.00 0.00 C ATOM 621 CD1 PHE A 40 -4.847 -16.192 0.431 1.00 0.00 C ATOM 622 CD2 PHE A 40 -5.950 -17.009 2.377 1.00 0.00 C ATOM 623 CE1 PHE A 40 -5.743 -16.872 -0.369 1.00 0.00 C ATOM 624 CE2 PHE A 40 -6.850 -17.691 1.582 1.00 0.00 C ATOM 625 CZ PHE A 40 -6.745 -17.623 0.208 1.00 0.00 C ATOM 0 H PHE A 40 -2.154 -14.520 3.977 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.173 -17.171 3.795 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.502 -15.093 3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.571 -14.661 2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.064 -15.605 -0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.036 -17.067 3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.659 -16.816 -1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.636 -18.277 2.036 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.447 -18.157 -0.415 1.00 0.00 H new ATOM 635 N LEU A 41 -1.069 -16.178 1.516 1.00 0.00 N ATOM 636 CA LEU A 41 -0.306 -16.548 0.327 1.00 0.00 C ATOM 637 C LEU A 41 0.713 -17.652 0.620 1.00 0.00 C ATOM 638 O LEU A 41 1.483 -18.048 -0.257 1.00 0.00 O ATOM 639 CB LEU A 41 0.412 -15.314 -0.224 1.00 0.00 C ATOM 640 CG LEU A 41 -0.493 -14.117 -0.519 1.00 0.00 C ATOM 641 CD1 LEU A 41 0.337 -12.900 -0.892 1.00 0.00 C ATOM 642 CD2 LEU A 41 -1.481 -14.455 -1.625 1.00 0.00 C ATOM 0 H LEU A 41 -0.794 -15.284 1.923 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.007 -16.936 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.174 -15.006 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.930 -15.593 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.058 -13.881 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.324 -12.058 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.001 -12.646 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.930 -13.122 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.117 -13.592 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.936 -14.718 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.099 -15.298 -1.316 1.00 0.00 H new ATOM 654 N GLY A 42 0.721 -18.143 1.850 1.00 0.00 N ATOM 655 CA GLY A 42 1.636 -19.203 2.220 1.00 0.00 C ATOM 656 C GLY A 42 0.915 -20.411 2.783 1.00 0.00 C ATOM 657 O GLY A 42 1.408 -21.064 3.703 1.00 0.00 O ATOM 0 H GLY A 42 0.108 -17.825 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.215 -19.502 1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.344 -18.828 2.959 1.00 0.00 H new ATOM 661 N TYR A 43 -0.255 -20.707 2.232 1.00 0.00 N ATOM 662 CA TYR A 43 -1.064 -21.813 2.718 1.00 0.00 C ATOM 663 C TYR A 43 -1.165 -22.940 1.706 1.00 0.00 C ATOM 664 O TYR A 43 -0.565 -22.890 0.631 1.00 0.00 O ATOM 665 CB TYR A 43 -2.470 -21.333 3.079 1.00 0.00 C ATOM 666 CG TYR A 43 -2.545 -20.666 4.426 1.00 0.00 C ATOM 667 CD1 TYR A 43 -2.052 -21.306 5.552 1.00 0.00 C ATOM 668 CD2 TYR A 43 -3.113 -19.411 4.577 1.00 0.00 C ATOM 669 CE1 TYR A 43 -2.127 -20.716 6.794 1.00 0.00 C ATOM 670 CE2 TYR A 43 -3.192 -18.809 5.818 1.00 0.00 C ATOM 671 CZ TYR A 43 -2.696 -19.464 6.925 1.00 0.00 C ATOM 672 OH TYR A 43 -2.771 -18.868 8.164 1.00 0.00 O ATOM 0 H TYR A 43 -0.663 -20.196 1.449 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.565 -22.199 3.607 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.815 -20.635 2.316 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.152 -22.184 3.064 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.602 -22.283 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.500 -18.895 3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.742 -21.230 7.662 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.640 -17.831 5.920 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.198 -17.990 8.079 1.00 0.00 H new ATOM 682 N ASP A 44 -1.931 -23.960 2.074 1.00 0.00 N ATOM 683 CA ASP A 44 -2.201 -25.087 1.188 1.00 0.00 C ATOM 684 C ASP A 44 -3.019 -24.635 -0.006 1.00 0.00 C ATOM 685 O ASP A 44 -4.033 -23.966 0.168 1.00 0.00 O ATOM 686 CB ASP A 44 -2.975 -26.170 1.932 1.00 0.00 C ATOM 687 CG ASP A 44 -3.383 -27.319 1.040 1.00 0.00 C ATOM 688 OD1 ASP A 44 -2.537 -28.189 0.750 1.00 0.00 O ATOM 689 OD2 ASP A 44 -4.556 -27.366 0.643 1.00 0.00 O ATOM 0 H ASP A 44 -2.380 -24.030 2.987 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.246 -25.486 0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.362 -26.551 2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.866 -25.730 2.380 1.00 0.00 H new ATOM 694 N GLU A 45 -2.597 -25.020 -1.204 1.00 0.00 N ATOM 695 CA GLU A 45 -3.284 -24.625 -2.424 1.00 0.00 C ATOM 696 C GLU A 45 -4.754 -25.016 -2.391 1.00 0.00 C ATOM 697 O GLU A 45 -5.609 -24.247 -2.819 1.00 0.00 O ATOM 698 CB GLU A 45 -2.608 -25.241 -3.643 1.00 0.00 C ATOM 699 CG GLU A 45 -1.590 -24.324 -4.287 1.00 0.00 C ATOM 700 CD GLU A 45 -0.906 -24.954 -5.482 1.00 0.00 C ATOM 701 OE1 GLU A 45 0.147 -25.592 -5.301 1.00 0.00 O ATOM 702 OE2 GLU A 45 -1.414 -24.807 -6.613 1.00 0.00 O ATOM 0 H GLU A 45 -1.778 -25.608 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.225 -23.539 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.117 -26.168 -3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.368 -25.503 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.083 -23.404 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.838 -24.047 -3.548 1.00 0.00 H new ATOM 709 N SER A 46 -5.051 -26.186 -1.848 1.00 0.00 N ATOM 710 CA SER A 46 -6.419 -26.673 -1.826 1.00 0.00 C ATOM 711 C SER A 46 -7.242 -25.892 -0.807 1.00 0.00 C ATOM 712 O SER A 46 -8.428 -25.639 -1.020 1.00 0.00 O ATOM 713 CB SER A 46 -6.453 -28.169 -1.516 1.00 0.00 C ATOM 714 OG SER A 46 -5.621 -28.891 -2.411 1.00 0.00 O ATOM 0 H SER A 46 -4.368 -26.811 -1.420 1.00 0.00 H new ATOM 0 HA SER A 46 -6.857 -26.521 -2.813 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.125 -28.339 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.477 -28.536 -1.588 1.00 0.00 H new ATOM 0 HG SER A 46 -5.657 -29.846 -2.193 1.00 0.00 H new ATOM 720 N LYS A 47 -6.605 -25.488 0.292 1.00 0.00 N ATOM 721 CA LYS A 47 -7.268 -24.664 1.282 1.00 0.00 C ATOM 722 C LYS A 47 -7.478 -23.271 0.729 1.00 0.00 C ATOM 723 O LYS A 47 -8.523 -22.660 0.932 1.00 0.00 O ATOM 724 CB LYS A 47 -6.432 -24.622 2.557 1.00 0.00 C ATOM 725 CG LYS A 47 -6.368 -25.970 3.244 1.00 0.00 C ATOM 726 CD LYS A 47 -5.540 -25.929 4.509 1.00 0.00 C ATOM 727 CE LYS A 47 -5.648 -27.236 5.267 1.00 0.00 C ATOM 728 NZ LYS A 47 -5.046 -28.382 4.533 1.00 0.00 N ATOM 0 H LYS A 47 -5.636 -25.720 0.511 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.242 -25.090 1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.422 -24.291 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.854 -23.887 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.378 -26.302 3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.945 -26.705 2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.497 -25.733 4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.876 -25.108 5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.156 -27.131 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.698 -27.449 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.088 -29.235 5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.574 -28.546 3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.054 -28.167 4.306 1.00 0.00 H new ATOM 742 N ILE A 48 -6.479 -22.794 0.010 1.00 0.00 N ATOM 743 CA ILE A 48 -6.541 -21.503 -0.640 1.00 0.00 C ATOM 744 C ILE A 48 -7.692 -21.440 -1.643 1.00 0.00 C ATOM 745 O ILE A 48 -8.499 -20.509 -1.609 1.00 0.00 O ATOM 746 CB ILE A 48 -5.204 -21.200 -1.336 1.00 0.00 C ATOM 747 CG1 ILE A 48 -4.104 -21.034 -0.288 1.00 0.00 C ATOM 748 CG2 ILE A 48 -5.313 -19.969 -2.217 1.00 0.00 C ATOM 749 CD1 ILE A 48 -2.743 -20.718 -0.872 1.00 0.00 C ATOM 0 H ILE A 48 -5.602 -23.293 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.725 -20.747 0.123 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.947 -22.038 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.388 -20.237 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.033 -21.950 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.353 -19.779 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.073 -20.134 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.591 -19.109 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.016 -20.615 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.436 -21.526 -1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.796 -19.786 -1.434 1.00 0.00 H new ATOM 761 N LYS A 49 -7.772 -22.428 -2.536 1.00 0.00 N ATOM 762 CA LYS A 49 -8.872 -22.484 -3.497 1.00 0.00 C ATOM 763 C LYS A 49 -10.214 -22.505 -2.774 1.00 0.00 C ATOM 764 O LYS A 49 -11.123 -21.750 -3.121 1.00 0.00 O ATOM 765 CB LYS A 49 -8.779 -23.717 -4.393 1.00 0.00 C ATOM 766 CG LYS A 49 -7.443 -23.892 -5.089 1.00 0.00 C ATOM 767 CD LYS A 49 -7.050 -22.669 -5.895 1.00 0.00 C ATOM 768 CE LYS A 49 -5.712 -22.870 -6.591 1.00 0.00 C ATOM 769 NZ LYS A 49 -5.759 -23.975 -7.583 1.00 0.00 N ATOM 0 H LYS A 49 -7.098 -23.190 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.796 -21.592 -4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.979 -24.603 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.563 -23.661 -5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.673 -24.098 -4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.490 -24.759 -5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.820 -22.458 -6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.994 -21.801 -5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.422 -21.946 -7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.945 -23.084 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.911 -23.938 -8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.791 -24.887 -7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.608 -23.874 -8.175 1.00 0.00 H new ATOM 783 N THR A 50 -10.320 -23.362 -1.760 1.00 0.00 N ATOM 784 CA THR A 50 -11.542 -23.489 -0.980 1.00 0.00 C ATOM 785 C THR A 50 -11.923 -22.154 -0.349 1.00 0.00 C ATOM 786 O THR A 50 -13.078 -21.738 -0.417 1.00 0.00 O ATOM 787 CB THR A 50 -11.387 -24.549 0.128 1.00 0.00 C ATOM 788 OG1 THR A 50 -10.989 -25.804 -0.444 1.00 0.00 O ATOM 789 CG2 THR A 50 -12.688 -24.735 0.894 1.00 0.00 C ATOM 0 H THR A 50 -9.567 -23.981 -1.461 1.00 0.00 H new ATOM 0 HA THR A 50 -12.332 -23.803 -1.662 1.00 0.00 H new ATOM 0 HB THR A 50 -10.621 -24.200 0.821 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.025 -25.929 -0.321 1.00 0.00 H new ATOM 0 HG21 THR A 50 -12.549 -25.489 1.669 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.978 -23.790 1.354 1.00 0.00 H new ATOM 0 HG23 THR A 50 -13.471 -25.060 0.208 1.00 0.00 H new ATOM 797 N ALA A 51 -10.943 -21.482 0.247 1.00 0.00 N ATOM 798 CA ALA A 51 -11.171 -20.190 0.876 1.00 0.00 C ATOM 799 C ALA A 51 -11.711 -19.186 -0.134 1.00 0.00 C ATOM 800 O ALA A 51 -12.730 -18.544 0.107 1.00 0.00 O ATOM 801 CB ALA A 51 -9.887 -19.671 1.506 1.00 0.00 C ATOM 0 H ALA A 51 -9.980 -21.814 0.306 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.916 -20.319 1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.075 -18.704 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.541 -20.377 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.123 -19.560 0.736 1.00 0.00 H new ATOM 807 N LEU A 52 -11.033 -19.074 -1.271 1.00 0.00 N ATOM 808 CA LEU A 52 -11.418 -18.118 -2.303 1.00 0.00 C ATOM 809 C LEU A 52 -12.810 -18.420 -2.857 1.00 0.00 C ATOM 810 O LEU A 52 -13.653 -17.526 -2.958 1.00 0.00 O ATOM 811 CB LEU A 52 -10.384 -18.111 -3.430 1.00 0.00 C ATOM 812 CG LEU A 52 -8.987 -17.637 -3.019 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.025 -17.742 -4.189 1.00 0.00 C ATOM 814 CD2 LEU A 52 -9.039 -16.206 -2.501 1.00 0.00 C ATOM 0 H LEU A 52 -10.213 -19.634 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.452 -17.129 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.305 -19.119 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.748 -17.470 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.628 -18.281 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.037 -17.401 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.964 -18.779 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.382 -17.121 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.037 -15.886 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.419 -15.549 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.698 -16.157 -1.634 1.00 0.00 H new ATOM 826 N ASP A 53 -13.057 -19.683 -3.184 1.00 0.00 N ATOM 827 CA ASP A 53 -14.339 -20.094 -3.751 1.00 0.00 C ATOM 828 C ASP A 53 -15.462 -19.909 -2.738 1.00 0.00 C ATOM 829 O ASP A 53 -16.572 -19.508 -3.087 1.00 0.00 O ATOM 830 CB ASP A 53 -14.281 -21.554 -4.201 1.00 0.00 C ATOM 831 CG ASP A 53 -15.564 -22.008 -4.871 1.00 0.00 C ATOM 832 OD1 ASP A 53 -15.747 -21.719 -6.072 1.00 0.00 O ATOM 833 OD2 ASP A 53 -16.382 -22.682 -4.209 1.00 0.00 O ATOM 0 H ASP A 53 -12.386 -20.442 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.543 -19.464 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.448 -21.685 -4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.082 -22.189 -3.338 1.00 0.00 H new ATOM 838 N HIS A 54 -15.165 -20.194 -1.479 1.00 0.00 N ATOM 839 CA HIS A 54 -16.134 -20.017 -0.411 1.00 0.00 C ATOM 840 C HIS A 54 -16.485 -18.538 -0.257 1.00 0.00 C ATOM 841 O HIS A 54 -17.660 -18.177 -0.189 1.00 0.00 O ATOM 842 CB HIS A 54 -15.592 -20.584 0.902 1.00 0.00 C ATOM 843 CG HIS A 54 -16.550 -20.469 2.037 1.00 0.00 C ATOM 844 ND1 HIS A 54 -17.627 -21.313 2.161 1.00 0.00 N ATOM 845 CD2 HIS A 54 -16.556 -19.587 3.054 1.00 0.00 C ATOM 846 CE1 HIS A 54 -18.263 -20.921 3.250 1.00 0.00 C ATOM 847 NE2 HIS A 54 -17.648 -19.880 3.821 1.00 0.00 N ATOM 0 H HIS A 54 -14.259 -20.549 -1.173 1.00 0.00 H new ATOM 0 HA HIS A 54 -17.042 -20.562 -0.668 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -15.336 -21.634 0.758 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -14.670 -20.064 1.161 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.837 -18.800 3.230 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -19.163 -21.381 3.630 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -17.939 -19.396 4.670 1.00 0.00 H new ATOM 855 N ILE A 55 -15.462 -17.689 -0.216 1.00 0.00 N ATOM 856 CA ILE A 55 -15.663 -16.242 -0.198 1.00 0.00 C ATOM 857 C ILE A 55 -16.536 -15.818 -1.379 1.00 0.00 C ATOM 858 O ILE A 55 -17.489 -15.054 -1.227 1.00 0.00 O ATOM 859 CB ILE A 55 -14.312 -15.489 -0.257 1.00 0.00 C ATOM 860 CG1 ILE A 55 -13.506 -15.735 1.021 1.00 0.00 C ATOM 861 CG2 ILE A 55 -14.530 -13.999 -0.467 1.00 0.00 C ATOM 862 CD1 ILE A 55 -12.112 -15.141 0.984 1.00 0.00 C ATOM 0 H ILE A 55 -14.484 -17.978 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 55 -16.162 -15.985 0.736 1.00 0.00 H new ATOM 0 HB ILE A 55 -13.746 -15.873 -1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -14.048 -15.316 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.430 -16.809 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -13.566 -13.492 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -15.062 -13.838 -1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -15.119 -13.598 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.600 -15.355 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.552 -15.578 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.180 -14.062 0.845 1.00 0.00 H new ATOM 874 N LYS A 56 -16.215 -16.360 -2.542 1.00 0.00 N ATOM 875 CA LYS A 56 -16.931 -16.076 -3.774 1.00 0.00 C ATOM 876 C LYS A 56 -18.406 -16.449 -3.661 1.00 0.00 C ATOM 877 O LYS A 56 -19.282 -15.679 -4.059 1.00 0.00 O ATOM 878 CB LYS A 56 -16.259 -16.851 -4.911 1.00 0.00 C ATOM 879 CG LYS A 56 -17.061 -16.932 -6.198 1.00 0.00 C ATOM 880 CD LYS A 56 -16.290 -17.696 -7.258 1.00 0.00 C ATOM 881 CE LYS A 56 -17.194 -18.151 -8.384 1.00 0.00 C ATOM 882 NZ LYS A 56 -16.575 -19.246 -9.168 1.00 0.00 N ATOM 0 H LYS A 56 -15.443 -17.016 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 56 -16.891 -15.006 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.298 -16.385 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.051 -17.864 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -18.015 -17.424 -6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.286 -15.928 -6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.498 -17.064 -7.659 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.808 -18.562 -6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.146 -18.489 -7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.411 -17.309 -9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.020 -19.296 -10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.557 -19.063 -9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.713 -20.149 -8.671 1.00 0.00 H new ATOM 896 N SER A 57 -18.674 -17.624 -3.110 1.00 0.00 N ATOM 897 CA SER A 57 -20.037 -18.106 -2.971 1.00 0.00 C ATOM 898 C SER A 57 -20.833 -17.241 -1.989 1.00 0.00 C ATOM 899 O SER A 57 -21.971 -16.864 -2.268 1.00 0.00 O ATOM 900 CB SER A 57 -20.031 -19.575 -2.538 1.00 0.00 C ATOM 901 OG SER A 57 -19.491 -19.741 -1.237 1.00 0.00 O ATOM 0 H SER A 57 -17.963 -18.261 -2.752 1.00 0.00 H new ATOM 0 HA SER A 57 -20.531 -18.033 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.049 -19.964 -2.561 1.00 0.00 H new ATOM 0 HB3 SER A 57 -19.450 -20.161 -3.250 1.00 0.00 H new ATOM 0 HG SER A 57 -18.770 -19.092 -1.097 1.00 0.00 H new ATOM 907 N GLU A 58 -20.227 -16.913 -0.848 1.00 0.00 N ATOM 908 CA GLU A 58 -20.855 -16.051 0.136 1.00 0.00 C ATOM 909 C GLU A 58 -21.120 -14.659 -0.443 1.00 0.00 C ATOM 910 O GLU A 58 -22.197 -14.091 -0.259 1.00 0.00 O ATOM 911 CB GLU A 58 -19.964 -15.954 1.373 1.00 0.00 C ATOM 912 CG GLU A 58 -19.784 -17.275 2.107 1.00 0.00 C ATOM 913 CD GLU A 58 -21.086 -17.804 2.666 1.00 0.00 C ATOM 914 OE1 GLU A 58 -21.678 -17.134 3.536 1.00 0.00 O ATOM 915 OE2 GLU A 58 -21.524 -18.893 2.239 1.00 0.00 O ATOM 0 H GLU A 58 -19.296 -17.237 -0.587 1.00 0.00 H new ATOM 0 HA GLU A 58 -21.816 -16.483 0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.985 -15.578 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -20.391 -15.223 2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.358 -18.011 1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.070 -17.142 2.920 1.00 0.00 H new ATOM 922 N LEU A 59 -20.138 -14.124 -1.163 1.00 0.00 N ATOM 923 CA LEU A 59 -20.249 -12.792 -1.763 1.00 0.00 C ATOM 924 C LEU A 59 -21.359 -12.723 -2.812 1.00 0.00 C ATOM 925 O LEU A 59 -21.917 -11.650 -3.065 1.00 0.00 O ATOM 926 CB LEU A 59 -18.914 -12.382 -2.392 1.00 0.00 C ATOM 927 CG LEU A 59 -17.863 -11.882 -1.401 1.00 0.00 C ATOM 928 CD1 LEU A 59 -16.570 -11.546 -2.119 1.00 0.00 C ATOM 929 CD2 LEU A 59 -18.382 -10.668 -0.644 1.00 0.00 C ATOM 0 H LEU A 59 -19.251 -14.593 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 59 -20.507 -12.098 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -18.506 -13.236 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -19.100 -11.599 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 59 -17.661 -12.677 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.834 -11.192 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -16.189 -12.437 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -16.756 -10.767 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -17.622 -10.324 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -18.612 -9.870 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -19.285 -10.939 -0.097 1.00 0.00 H new ATOM 941 N ASP A 60 -21.681 -13.861 -3.410 1.00 0.00 N ATOM 942 CA ASP A 60 -22.711 -13.922 -4.443 1.00 0.00 C ATOM 943 C ASP A 60 -24.105 -13.902 -3.822 1.00 0.00 C ATOM 944 O ASP A 60 -25.100 -13.616 -4.491 1.00 0.00 O ATOM 945 CB ASP A 60 -22.523 -15.177 -5.297 1.00 0.00 C ATOM 946 CG ASP A 60 -23.529 -15.275 -6.427 1.00 0.00 C ATOM 947 OD1 ASP A 60 -24.373 -16.192 -6.397 1.00 0.00 O ATOM 948 OD2 ASP A 60 -23.471 -14.437 -7.355 1.00 0.00 O ATOM 0 H ASP A 60 -21.244 -14.758 -3.198 1.00 0.00 H new ATOM 0 HA ASP A 60 -22.613 -13.044 -5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -21.515 -15.181 -5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.609 -16.059 -4.662 1.00 0.00 H new ATOM 953 N LYS A 61 -24.169 -14.186 -2.532 1.00 0.00 N ATOM 954 CA LYS A 61 -25.433 -14.182 -1.813 1.00 0.00 C ATOM 955 C LYS A 61 -25.854 -12.759 -1.457 1.00 0.00 C ATOM 956 O LYS A 61 -27.034 -12.417 -1.506 1.00 0.00 O ATOM 957 CB LYS A 61 -25.310 -15.010 -0.534 1.00 0.00 C ATOM 958 CG LYS A 61 -24.962 -16.467 -0.778 1.00 0.00 C ATOM 959 CD LYS A 61 -24.658 -17.183 0.525 1.00 0.00 C ATOM 960 CE LYS A 61 -24.409 -18.664 0.304 1.00 0.00 C ATOM 961 NZ LYS A 61 -24.037 -19.357 1.564 1.00 0.00 N ATOM 0 H LYS A 61 -23.359 -14.423 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 61 -26.192 -14.619 -2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -24.546 -14.565 0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -26.251 -14.958 0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -25.791 -16.962 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -24.100 -16.532 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -23.783 -16.732 0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -25.491 -17.053 1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -25.305 -19.125 -0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -23.613 -18.793 -0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -23.793 -20.347 1.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -23.218 -18.881 1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -24.839 -19.329 2.225 1.00 0.00 H new ATOM 975 N CYS A 62 -24.879 -11.925 -1.126 1.00 0.00 N ATOM 976 CA CYS A 62 -25.161 -10.597 -0.601 1.00 0.00 C ATOM 977 C CYS A 62 -25.244 -9.573 -1.721 1.00 0.00 C ATOM 978 O CYS A 62 -24.259 -8.900 -2.033 1.00 0.00 O ATOM 979 CB CYS A 62 -24.080 -10.190 0.397 1.00 0.00 C ATOM 980 SG CYS A 62 -23.631 -11.517 1.556 1.00 0.00 S ATOM 0 H CYS A 62 -23.886 -12.144 -1.212 1.00 0.00 H new ATOM 0 HA CYS A 62 -26.126 -10.629 -0.095 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -23.190 -9.879 -0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -24.425 -9.325 0.963 1.00 0.00 H new ATOM 985 N ASN A 63 -26.406 -9.486 -2.352 1.00 0.00 N ATOM 986 CA ASN A 63 -26.633 -8.490 -3.387 1.00 0.00 C ATOM 987 C ASN A 63 -28.036 -7.907 -3.275 1.00 0.00 C ATOM 988 O ASN A 63 -28.961 -8.337 -3.965 1.00 0.00 O ATOM 989 CB ASN A 63 -26.411 -9.063 -4.796 1.00 0.00 C ATOM 990 CG ASN A 63 -24.986 -9.540 -5.030 1.00 0.00 C ATOM 991 OD1 ASN A 63 -24.088 -8.747 -5.318 1.00 0.00 O ATOM 992 ND2 ASN A 63 -24.771 -10.842 -4.930 1.00 0.00 N ATOM 0 H ASN A 63 -27.205 -10.092 -2.165 1.00 0.00 H new ATOM 0 HA ASN A 63 -25.903 -7.696 -3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -27.097 -9.895 -4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -26.658 -8.300 -5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -23.837 -11.219 -5.093 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -25.539 -11.469 -4.690 1.00 0.00 H new ATOM 999 N GLY A 64 -28.194 -6.972 -2.352 1.00 0.00 N ATOM 1000 CA GLY A 64 -29.432 -6.231 -2.228 1.00 0.00 C ATOM 1001 C GLY A 64 -29.166 -4.789 -1.850 1.00 0.00 C ATOM 1002 O GLY A 64 -28.113 -4.246 -2.186 1.00 0.00 O ATOM 0 H GLY A 64 -27.476 -6.710 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -29.978 -6.269 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -30.065 -6.698 -1.473 1.00 0.00 H new ATOM 1006 N ASN A 65 -30.097 -4.177 -1.129 1.00 0.00 N ATOM 1007 CA ASN A 65 -29.942 -2.791 -0.683 1.00 0.00 C ATOM 1008 C ASN A 65 -28.716 -2.638 0.211 1.00 0.00 C ATOM 1009 O ASN A 65 -28.111 -1.568 0.284 1.00 0.00 O ATOM 1010 CB ASN A 65 -31.185 -2.328 0.078 1.00 0.00 C ATOM 1011 CG ASN A 65 -32.396 -2.163 -0.816 1.00 0.00 C ATOM 1012 OD1 ASN A 65 -33.156 -3.108 -1.031 1.00 0.00 O ATOM 1013 ND2 ASN A 65 -32.595 -0.955 -1.322 1.00 0.00 N ATOM 0 H ASN A 65 -30.970 -4.616 -0.838 1.00 0.00 H new ATOM 0 HA ASN A 65 -29.811 -2.172 -1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -31.414 -3.049 0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -30.971 -1.379 0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -33.405 -0.778 -1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -31.939 -0.202 -1.117 1.00 0.00 H new ATOM 1020 N ASP A 66 -28.353 -3.719 0.877 1.00 0.00 N ATOM 1021 CA ASP A 66 -27.233 -3.724 1.807 1.00 0.00 C ATOM 1022 C ASP A 66 -26.043 -4.493 1.241 1.00 0.00 C ATOM 1023 O ASP A 66 -25.137 -4.870 1.981 1.00 0.00 O ATOM 1024 CB ASP A 66 -27.672 -4.343 3.136 1.00 0.00 C ATOM 1025 CG ASP A 66 -28.491 -5.608 2.943 1.00 0.00 C ATOM 1026 OD1 ASP A 66 -29.693 -5.596 3.293 1.00 0.00 O ATOM 1027 OD2 ASP A 66 -27.951 -6.599 2.416 1.00 0.00 O ATOM 0 H ASP A 66 -28.825 -4.619 0.790 1.00 0.00 H new ATOM 0 HA ASP A 66 -26.918 -2.693 1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -26.791 -4.572 3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -28.259 -3.615 3.696 1.00 0.00 H new ATOM 1032 N ALA A 67 -26.015 -4.668 -0.079 1.00 0.00 N ATOM 1033 CA ALA A 67 -25.009 -5.510 -0.721 1.00 0.00 C ATOM 1034 C ALA A 67 -23.611 -5.011 -0.419 1.00 0.00 C ATOM 1035 O ALA A 67 -22.773 -5.749 0.096 1.00 0.00 O ATOM 1036 CB ALA A 67 -25.219 -5.552 -2.227 1.00 0.00 C ATOM 0 H ALA A 67 -26.678 -4.238 -0.724 1.00 0.00 H new ATOM 0 HA ALA A 67 -25.119 -6.517 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -24.458 -6.185 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -26.207 -5.958 -2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -25.143 -4.543 -2.633 1.00 0.00 H new ATOM 1042 N ASP A 68 -23.387 -3.746 -0.721 1.00 0.00 N ATOM 1043 CA ASP A 68 -22.087 -3.117 -0.548 1.00 0.00 C ATOM 1044 C ASP A 68 -21.643 -3.175 0.902 1.00 0.00 C ATOM 1045 O ASP A 68 -20.465 -3.394 1.201 1.00 0.00 O ATOM 1046 CB ASP A 68 -22.164 -1.663 -0.992 1.00 0.00 C ATOM 1047 CG ASP A 68 -22.471 -1.518 -2.468 1.00 0.00 C ATOM 1048 OD1 ASP A 68 -23.662 -1.586 -2.836 1.00 0.00 O ATOM 1049 OD2 ASP A 68 -21.532 -1.328 -3.267 1.00 0.00 O ATOM 0 H ASP A 68 -24.102 -3.122 -1.094 1.00 0.00 H new ATOM 0 HA ASP A 68 -21.361 -3.657 -1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.933 -1.151 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -21.217 -1.170 -0.772 1.00 0.00 H new ATOM 1054 N GLN A 69 -22.597 -2.992 1.802 1.00 0.00 N ATOM 1055 CA GLN A 69 -22.301 -2.972 3.221 1.00 0.00 C ATOM 1056 C GLN A 69 -21.957 -4.372 3.711 1.00 0.00 C ATOM 1057 O GLN A 69 -20.971 -4.559 4.423 1.00 0.00 O ATOM 1058 CB GLN A 69 -23.478 -2.407 4.017 1.00 0.00 C ATOM 1059 CG GLN A 69 -23.108 -2.046 5.445 1.00 0.00 C ATOM 1060 CD GLN A 69 -22.021 -0.991 5.504 1.00 0.00 C ATOM 1061 OE1 GLN A 69 -22.298 0.207 5.561 1.00 0.00 O ATOM 1062 NE2 GLN A 69 -20.772 -1.430 5.469 1.00 0.00 N ATOM 0 H GLN A 69 -23.581 -2.856 1.572 1.00 0.00 H new ATOM 0 HA GLN A 69 -21.440 -2.323 3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -23.860 -1.520 3.511 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -24.286 -3.139 4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -23.993 -1.683 5.968 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -22.773 -2.941 5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -20.585 -2.432 5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -19.997 -0.767 5.489 1.00 0.00 H new ATOM 1071 N GLN A 70 -22.763 -5.351 3.318 1.00 0.00 N ATOM 1072 CA GLN A 70 -22.539 -6.737 3.703 1.00 0.00 C ATOM 1073 C GLN A 70 -21.226 -7.262 3.132 1.00 0.00 C ATOM 1074 O GLN A 70 -20.485 -7.957 3.822 1.00 0.00 O ATOM 1075 CB GLN A 70 -23.706 -7.603 3.238 1.00 0.00 C ATOM 1076 CG GLN A 70 -25.020 -7.255 3.916 1.00 0.00 C ATOM 1077 CD GLN A 70 -25.030 -7.564 5.402 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -25.689 -6.883 6.183 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -24.314 -8.603 5.803 1.00 0.00 N ATOM 0 H GLN A 70 -23.583 -5.208 2.729 1.00 0.00 H new ATOM 0 HA GLN A 70 -22.473 -6.783 4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -23.822 -7.496 2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -23.472 -8.650 3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -25.226 -6.194 3.771 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -25.827 -7.805 3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -23.779 -9.146 5.125 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -24.298 -8.861 6.790 1.00 0.00 H new ATOM 1088 N LYS A 71 -20.933 -6.916 1.880 1.00 0.00 N ATOM 1089 CA LYS A 71 -19.670 -7.308 1.259 1.00 0.00 C ATOM 1090 C LYS A 71 -18.496 -6.740 2.054 1.00 0.00 C ATOM 1091 O LYS A 71 -17.511 -7.433 2.318 1.00 0.00 O ATOM 1092 CB LYS A 71 -19.598 -6.819 -0.193 1.00 0.00 C ATOM 1093 CG LYS A 71 -20.636 -7.444 -1.118 1.00 0.00 C ATOM 1094 CD LYS A 71 -20.615 -6.785 -2.490 1.00 0.00 C ATOM 1095 CE LYS A 71 -21.775 -7.244 -3.363 1.00 0.00 C ATOM 1096 NZ LYS A 71 -21.662 -8.677 -3.753 1.00 0.00 N ATOM 0 H LYS A 71 -21.549 -6.368 1.279 1.00 0.00 H new ATOM 0 HA LYS A 71 -19.614 -8.397 1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.722 -5.736 -0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.604 -7.031 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -20.440 -8.511 -1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -21.628 -7.343 -0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -20.657 -5.702 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -19.673 -7.016 -2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -22.712 -7.089 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -21.815 -6.628 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -22.475 -8.941 -4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.782 -8.823 -4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -21.650 -9.270 -2.898 1.00 0.00 H new ATOM 1110 N THR A 72 -18.622 -5.483 2.457 1.00 0.00 N ATOM 1111 CA THR A 72 -17.588 -4.823 3.241 1.00 0.00 C ATOM 1112 C THR A 72 -17.521 -5.399 4.661 1.00 0.00 C ATOM 1113 O THR A 72 -16.468 -5.394 5.301 1.00 0.00 O ATOM 1114 CB THR A 72 -17.828 -3.300 3.288 1.00 0.00 C ATOM 1115 OG1 THR A 72 -17.887 -2.791 1.950 1.00 0.00 O ATOM 1116 CG2 THR A 72 -16.725 -2.582 4.053 1.00 0.00 C ATOM 0 H THR A 72 -19.433 -4.899 2.253 1.00 0.00 H new ATOM 0 HA THR A 72 -16.630 -5.008 2.754 1.00 0.00 H new ATOM 0 HB THR A 72 -18.770 -3.120 3.806 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.743 -3.040 1.543 1.00 0.00 H new ATOM 0 HG21 THR A 72 -16.928 -1.511 4.065 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.689 -2.956 5.076 1.00 0.00 H new ATOM 0 HG23 THR A 72 -15.767 -2.764 3.566 1.00 0.00 H new ATOM 1124 N THR A 73 -18.644 -5.909 5.146 1.00 0.00 N ATOM 1125 CA THR A 73 -18.684 -6.553 6.449 1.00 0.00 C ATOM 1126 C THR A 73 -18.023 -7.929 6.376 1.00 0.00 C ATOM 1127 O THR A 73 -17.308 -8.336 7.292 1.00 0.00 O ATOM 1128 CB THR A 73 -20.134 -6.689 6.960 1.00 0.00 C ATOM 1129 OG1 THR A 73 -20.766 -5.401 6.956 1.00 0.00 O ATOM 1130 CG2 THR A 73 -20.167 -7.262 8.369 1.00 0.00 C ATOM 0 H THR A 73 -19.539 -5.889 4.656 1.00 0.00 H new ATOM 0 HA THR A 73 -18.134 -5.927 7.152 1.00 0.00 H new ATOM 0 HB THR A 73 -20.668 -7.370 6.298 1.00 0.00 H new ATOM 0 HG1 THR A 73 -21.091 -5.199 6.054 1.00 0.00 H new ATOM 0 HG21 THR A 73 -21.201 -7.347 8.703 1.00 0.00 H new ATOM 0 HG22 THR A 73 -19.703 -8.248 8.372 1.00 0.00 H new ATOM 0 HG23 THR A 73 -19.621 -6.602 9.043 1.00 0.00 H new ATOM 1138 N PHE A 74 -18.237 -8.617 5.261 1.00 0.00 N ATOM 1139 CA PHE A 74 -17.660 -9.935 5.041 1.00 0.00 C ATOM 1140 C PHE A 74 -16.138 -9.852 5.011 1.00 0.00 C ATOM 1141 O PHE A 74 -15.455 -10.793 5.407 1.00 0.00 O ATOM 1142 CB PHE A 74 -18.195 -10.533 3.739 1.00 0.00 C ATOM 1143 CG PHE A 74 -17.816 -11.972 3.519 1.00 0.00 C ATOM 1144 CD1 PHE A 74 -17.968 -12.909 4.532 1.00 0.00 C ATOM 1145 CD2 PHE A 74 -17.338 -12.393 2.291 1.00 0.00 C ATOM 1146 CE1 PHE A 74 -17.643 -14.236 4.322 1.00 0.00 C ATOM 1147 CE2 PHE A 74 -17.009 -13.716 2.076 1.00 0.00 C ATOM 1148 CZ PHE A 74 -17.164 -14.640 3.091 1.00 0.00 C ATOM 0 H PHE A 74 -18.812 -8.279 4.489 1.00 0.00 H new ATOM 0 HA PHE A 74 -17.949 -10.587 5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -19.282 -10.451 3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -17.827 -9.940 2.902 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -18.344 -12.598 5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -17.221 -11.677 1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -17.763 -14.955 5.119 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -16.630 -14.029 1.114 1.00 0.00 H new ATOM 0 HZ PHE A 74 -16.911 -15.676 2.922 1.00 0.00 H new ATOM 1158 N LYS A 75 -15.616 -8.717 4.551 1.00 0.00 N ATOM 1159 CA LYS A 75 -14.182 -8.454 4.587 1.00 0.00 C ATOM 1160 C LYS A 75 -13.643 -8.634 6.003 1.00 0.00 C ATOM 1161 O LYS A 75 -12.586 -9.227 6.211 1.00 0.00 O ATOM 1162 CB LYS A 75 -13.903 -7.030 4.110 1.00 0.00 C ATOM 1163 CG LYS A 75 -14.262 -6.797 2.654 1.00 0.00 C ATOM 1164 CD LYS A 75 -14.169 -5.330 2.273 1.00 0.00 C ATOM 1165 CE LYS A 75 -14.495 -5.130 0.803 1.00 0.00 C ATOM 1166 NZ LYS A 75 -14.681 -3.699 0.447 1.00 0.00 N ATOM 0 H LYS A 75 -16.170 -7.962 4.147 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.682 -9.162 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.464 -6.331 4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.846 -6.807 4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.595 -7.380 2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.274 -7.156 2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.857 -4.747 2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.165 -4.959 2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.692 -5.550 0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.402 -5.682 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.901 -3.619 -0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.464 -3.302 1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.808 -3.173 0.654 1.00 0.00 H new ATOM 1180 N GLN A 76 -14.403 -8.137 6.967 1.00 0.00 N ATOM 1181 CA GLN A 76 -14.035 -8.202 8.363 1.00 0.00 C ATOM 1182 C GLN A 76 -14.222 -9.618 8.896 1.00 0.00 C ATOM 1183 O GLN A 76 -13.458 -10.080 9.744 1.00 0.00 O ATOM 1184 CB GLN A 76 -14.894 -7.210 9.135 1.00 0.00 C ATOM 1185 CG GLN A 76 -14.612 -5.763 8.760 1.00 0.00 C ATOM 1186 CD GLN A 76 -15.718 -4.814 9.177 1.00 0.00 C ATOM 1187 OE1 GLN A 76 -15.725 -4.298 10.290 1.00 0.00 O ATOM 1188 NE2 GLN A 76 -16.650 -4.562 8.270 1.00 0.00 N ATOM 0 H GLN A 76 -15.297 -7.676 6.796 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.983 -7.943 8.485 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.946 -7.429 8.952 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.722 -7.343 10.203 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.678 -5.449 9.225 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -14.470 -5.695 7.681 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -16.607 -5.012 7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.411 -3.917 8.486 1.00 0.00 H new ATOM 1197 N THR A 77 -15.238 -10.302 8.384 1.00 0.00 N ATOM 1198 CA THR A 77 -15.481 -11.695 8.728 1.00 0.00 C ATOM 1199 C THR A 77 -14.309 -12.569 8.275 1.00 0.00 C ATOM 1200 O THR A 77 -13.783 -13.371 9.045 1.00 0.00 O ATOM 1201 CB THR A 77 -16.780 -12.200 8.072 1.00 0.00 C ATOM 1202 OG1 THR A 77 -17.852 -11.290 8.356 1.00 0.00 O ATOM 1203 CG2 THR A 77 -17.139 -13.594 8.571 1.00 0.00 C ATOM 0 H THR A 77 -15.910 -9.910 7.725 1.00 0.00 H new ATOM 0 HA THR A 77 -15.582 -11.761 9.811 1.00 0.00 H new ATOM 0 HB THR A 77 -16.622 -12.253 6.995 1.00 0.00 H new ATOM 0 HG1 THR A 77 -18.676 -11.614 7.936 1.00 0.00 H new ATOM 0 HG21 THR A 77 -18.060 -13.926 8.092 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.333 -14.286 8.327 1.00 0.00 H new ATOM 0 HG23 THR A 77 -17.281 -13.568 9.651 1.00 0.00 H new ATOM 1211 N VAL A 78 -13.903 -12.395 7.021 1.00 0.00 N ATOM 1212 CA VAL A 78 -12.772 -13.121 6.465 1.00 0.00 C ATOM 1213 C VAL A 78 -11.480 -12.737 7.190 1.00 0.00 C ATOM 1214 O VAL A 78 -10.613 -13.578 7.420 1.00 0.00 O ATOM 1215 CB VAL A 78 -12.635 -12.849 4.951 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -11.477 -13.626 4.356 1.00 0.00 C ATOM 1217 CG2 VAL A 78 -13.925 -13.198 4.227 1.00 0.00 C ATOM 0 H VAL A 78 -14.347 -11.750 6.367 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.951 -14.187 6.608 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.434 -11.786 4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.406 -13.414 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.550 -13.330 4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.641 -14.693 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.809 -13.000 3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.152 -14.253 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.740 -12.591 4.623 1.00 0.00 H new ATOM 1227 N GLN A 79 -11.369 -11.466 7.564 1.00 0.00 N ATOM 1228 CA GLN A 79 -10.234 -10.982 8.350 1.00 0.00 C ATOM 1229 C GLN A 79 -10.065 -11.805 9.628 1.00 0.00 C ATOM 1230 O GLN A 79 -8.948 -12.115 10.043 1.00 0.00 O ATOM 1231 CB GLN A 79 -10.443 -9.506 8.701 1.00 0.00 C ATOM 1232 CG GLN A 79 -9.402 -8.573 8.104 1.00 0.00 C ATOM 1233 CD GLN A 79 -8.113 -8.529 8.907 1.00 0.00 C ATOM 1234 OE1 GLN A 79 -7.744 -9.492 9.575 1.00 0.00 O ATOM 1235 NE2 GLN A 79 -7.415 -7.409 8.841 1.00 0.00 N ATOM 0 H GLN A 79 -12.055 -10.747 7.335 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.328 -11.089 7.754 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.431 -9.198 8.358 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.434 -9.397 9.785 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.178 -8.891 7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.818 -7.567 8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.753 -6.630 8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.538 -7.323 9.355 1.00 0.00 H new ATOM 1244 N GLY A 80 -11.181 -12.174 10.237 1.00 0.00 N ATOM 1245 CA GLY A 80 -11.138 -12.952 11.459 1.00 0.00 C ATOM 1246 C GLY A 80 -11.139 -14.449 11.203 1.00 0.00 C ATOM 1247 O GLY A 80 -11.224 -15.242 12.139 1.00 0.00 O ATOM 0 H GLY A 80 -12.119 -11.948 9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.244 -12.685 12.023 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.996 -12.693 12.080 1.00 0.00 H new ATOM 1251 N ALA A 81 -11.049 -14.841 9.937 1.00 0.00 N ATOM 1252 CA ALA A 81 -11.049 -16.253 9.573 1.00 0.00 C ATOM 1253 C ALA A 81 -9.631 -16.776 9.367 1.00 0.00 C ATOM 1254 O ALA A 81 -9.257 -17.803 9.925 1.00 0.00 O ATOM 1255 CB ALA A 81 -11.901 -16.485 8.334 1.00 0.00 C ATOM 0 H ALA A 81 -10.975 -14.201 9.146 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.486 -16.812 10.400 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.889 -17.544 8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.926 -16.171 8.533 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.499 -15.906 7.503 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.839 -16.062 8.575 1.00 0.00 N ATOM 1262 CA LEU A 82 -7.478 -16.485 8.265 1.00 0.00 C ATOM 1263 C LEU A 82 -6.489 -16.011 9.318 1.00 0.00 C ATOM 1264 O LEU A 82 -5.275 -16.145 9.155 1.00 0.00 O ATOM 1265 CB LEU A 82 -7.073 -15.960 6.891 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.957 -16.435 5.745 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.152 -17.936 5.805 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -9.272 -15.697 5.731 1.00 0.00 C ATOM 0 H LEU A 82 -9.117 -15.185 8.135 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.458 -17.575 8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.086 -14.870 6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.045 -16.263 6.689 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.453 -16.207 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.786 -18.254 4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.184 -18.432 5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.626 -18.204 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.882 -16.057 4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.797 -15.871 6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.089 -14.629 5.610 1.00 0.00 H new ATOM 1280 N SER A 83 -7.020 -15.486 10.404 1.00 0.00 N ATOM 1281 CA SER A 83 -6.211 -14.920 11.471 1.00 0.00 C ATOM 1282 C SER A 83 -5.408 -15.999 12.193 1.00 0.00 C ATOM 1283 O SER A 83 -4.277 -15.764 12.616 1.00 0.00 O ATOM 1284 CB SER A 83 -7.121 -14.187 12.452 1.00 0.00 C ATOM 1285 OG SER A 83 -8.222 -15.002 12.823 1.00 0.00 O ATOM 0 H SER A 83 -8.025 -15.439 10.574 1.00 0.00 H new ATOM 0 HA SER A 83 -5.498 -14.220 11.036 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.555 -13.906 13.340 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.482 -13.264 11.999 1.00 0.00 H new ATOM 0 HG SER A 83 -8.792 -14.514 13.453 1.00 0.00 H new ATOM 1291 N GLY A 84 -5.990 -17.183 12.320 1.00 0.00 N ATOM 1292 CA GLY A 84 -5.328 -18.259 13.031 1.00 0.00 C ATOM 1293 C GLY A 84 -5.240 -19.524 12.207 1.00 0.00 C ATOM 1294 O GLY A 84 -5.250 -20.628 12.748 1.00 0.00 O ATOM 0 H GLY A 84 -6.908 -17.418 11.944 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.324 -17.941 13.313 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.868 -18.467 13.955 1.00 0.00 H new ATOM 1298 N GLY A 85 -5.163 -19.365 10.895 1.00 0.00 N ATOM 1299 CA GLY A 85 -5.065 -20.507 10.026 1.00 0.00 C ATOM 1300 C GLY A 85 -6.109 -20.476 8.936 1.00 0.00 C ATOM 1301 O GLY A 85 -7.022 -19.652 8.964 1.00 0.00 O ATOM 0 H GLY A 85 -5.167 -18.462 10.421 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.072 -20.537 9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.178 -21.419 10.611 1.00 0.00 H new ATOM 1305 N ILE A 86 -5.964 -21.365 7.975 1.00 0.00 N ATOM 1306 CA ILE A 86 -6.912 -21.473 6.875 1.00 0.00 C ATOM 1307 C ILE A 86 -7.560 -22.856 6.880 1.00 0.00 C ATOM 1308 O ILE A 86 -8.444 -23.155 6.077 1.00 0.00 O ATOM 1309 CB ILE A 86 -6.201 -21.239 5.527 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -7.213 -21.078 4.392 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -5.259 -22.396 5.234 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.579 -20.759 3.061 1.00 0.00 C ATOM 0 H ILE A 86 -5.193 -22.031 7.930 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.682 -20.712 7.004 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.625 -20.316 5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.792 -21.997 4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.914 -20.285 4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.759 -22.226 4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.514 -22.468 6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.828 -23.325 5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.356 -20.659 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.023 -19.824 3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.899 -21.563 2.780 1.00 0.00 H new ATOM 1324 N ASP A 87 -7.122 -23.690 7.812 1.00 0.00 N ATOM 1325 CA ASP A 87 -7.570 -25.075 7.874 1.00 0.00 C ATOM 1326 C ASP A 87 -9.043 -25.140 8.245 1.00 0.00 C ATOM 1327 O ASP A 87 -9.807 -25.922 7.680 1.00 0.00 O ATOM 1328 CB ASP A 87 -6.735 -25.856 8.891 1.00 0.00 C ATOM 1329 CG ASP A 87 -7.048 -27.341 8.891 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -8.020 -27.750 9.556 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -6.304 -28.107 8.245 1.00 0.00 O ATOM 0 H ASP A 87 -6.454 -23.431 8.538 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.439 -25.526 6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.677 -25.712 8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.913 -25.452 9.888 1.00 0.00 H new ATOM 1336 N GLY A 88 -9.440 -24.289 9.179 1.00 0.00 N ATOM 1337 CA GLY A 88 -10.815 -24.268 9.628 1.00 0.00 C ATOM 1338 C GLY A 88 -11.620 -23.172 8.962 1.00 0.00 C ATOM 1339 O GLY A 88 -12.610 -22.699 9.519 1.00 0.00 O ATOM 0 H GLY A 88 -8.831 -23.610 9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.278 -25.233 9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.840 -24.129 10.709 1.00 0.00 H new ATOM 1343 N PHE A 89 -11.194 -22.760 7.774 1.00 0.00 N ATOM 1344 CA PHE A 89 -11.903 -21.740 7.020 1.00 0.00 C ATOM 1345 C PHE A 89 -13.038 -22.379 6.239 1.00 0.00 C ATOM 1346 O PHE A 89 -12.836 -23.343 5.499 1.00 0.00 O ATOM 1347 CB PHE A 89 -10.947 -21.010 6.064 1.00 0.00 C ATOM 1348 CG PHE A 89 -11.565 -19.852 5.310 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -12.470 -20.071 4.281 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -11.225 -18.545 5.620 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -13.023 -19.013 3.585 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -11.772 -17.484 4.924 1.00 0.00 C ATOM 1353 CZ PHE A 89 -12.672 -17.717 3.903 1.00 0.00 C ATOM 0 H PHE A 89 -10.358 -23.120 7.313 1.00 0.00 H new ATOM 0 HA PHE A 89 -12.313 -21.009 7.717 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -10.096 -20.640 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.558 -21.729 5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.746 -21.082 4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -10.522 -18.353 6.417 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.731 -19.201 2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -11.495 -16.472 5.179 1.00 0.00 H new ATOM 0 HZ PHE A 89 -13.099 -16.889 3.356 1.00 0.00 H new ATOM 1363 N GLY A 90 -14.228 -21.845 6.418 1.00 0.00 N ATOM 1364 CA GLY A 90 -15.373 -22.319 5.680 1.00 0.00 C ATOM 1365 C GLY A 90 -16.662 -21.811 6.271 1.00 0.00 C ATOM 1366 O GLY A 90 -16.688 -20.739 6.878 1.00 0.00 O ATOM 0 H GLY A 90 -14.424 -21.084 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -15.296 -21.997 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.378 -23.409 5.676 1.00 0.00 H new ATOM 1370 N SER A 91 -17.720 -22.592 6.136 1.00 0.00 N ATOM 1371 CA SER A 91 -19.032 -22.199 6.625 1.00 0.00 C ATOM 1372 C SER A 91 -19.085 -22.271 8.149 1.00 0.00 C ATOM 1373 O SER A 91 -20.103 -21.955 8.764 1.00 0.00 O ATOM 1374 CB SER A 91 -20.101 -23.107 6.016 1.00 0.00 C ATOM 1375 OG SER A 91 -19.955 -23.193 4.609 1.00 0.00 O ATOM 0 H SER A 91 -17.696 -23.508 5.689 1.00 0.00 H new ATOM 0 HA SER A 91 -19.222 -21.168 6.327 1.00 0.00 H new ATOM 0 HB2 SER A 91 -20.030 -24.103 6.454 1.00 0.00 H new ATOM 0 HB3 SER A 91 -21.091 -22.722 6.259 1.00 0.00 H new ATOM 0 HG SER A 91 -20.649 -23.780 4.243 1.00 0.00 H new ATOM 1381 N ASN A 92 -17.976 -22.684 8.747 1.00 0.00 N ATOM 1382 CA ASN A 92 -17.889 -22.827 10.192 1.00 0.00 C ATOM 1383 C ASN A 92 -17.512 -21.506 10.849 1.00 0.00 C ATOM 1384 O ASN A 92 -17.890 -21.245 11.992 1.00 0.00 O ATOM 1385 CB ASN A 92 -16.850 -23.888 10.571 1.00 0.00 C ATOM 1386 CG ASN A 92 -17.144 -25.248 9.967 1.00 0.00 C ATOM 1387 OD1 ASN A 92 -16.697 -25.559 8.863 1.00 0.00 O ATOM 1388 ND2 ASN A 92 -17.886 -26.072 10.689 1.00 0.00 N ATOM 0 H ASN A 92 -17.120 -22.927 8.249 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.871 -23.137 10.549 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.864 -23.557 10.244 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.811 -23.979 11.656 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -18.106 -27.003 10.335 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -18.238 -25.776 11.600 1.00 0.00 H new ATOM 1395 N ASN A 93 -16.772 -20.668 10.129 1.00 0.00 N ATOM 1396 CA ASN A 93 -16.256 -19.434 10.714 1.00 0.00 C ATOM 1397 C ASN A 93 -16.460 -18.225 9.804 1.00 0.00 C ATOM 1398 O ASN A 93 -16.668 -17.112 10.284 1.00 0.00 O ATOM 1399 CB ASN A 93 -14.767 -19.577 11.049 1.00 0.00 C ATOM 1400 CG ASN A 93 -13.883 -19.755 9.825 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -14.294 -20.323 8.811 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -12.661 -19.258 9.914 1.00 0.00 N ATOM 0 H ASN A 93 -16.518 -20.817 9.152 1.00 0.00 H new ATOM 0 HA ASN A 93 -16.825 -19.262 11.628 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.440 -18.694 11.598 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.633 -20.432 11.712 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.019 -19.337 9.125 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.360 -18.795 10.772 1.00 0.00 H new ATOM 1409 N ALA A 94 -16.391 -18.434 8.498 1.00 0.00 N ATOM 1410 CA ALA A 94 -16.506 -17.339 7.551 1.00 0.00 C ATOM 1411 C ALA A 94 -17.797 -17.442 6.760 1.00 0.00 C ATOM 1412 O ALA A 94 -17.869 -18.140 5.755 1.00 0.00 O ATOM 1413 CB ALA A 94 -15.307 -17.315 6.613 1.00 0.00 C ATOM 0 H ALA A 94 -16.256 -19.351 8.072 1.00 0.00 H new ATOM 0 HA ALA A 94 -16.525 -16.405 8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.411 -16.488 5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -14.394 -17.186 7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.257 -18.254 6.062 1.00 0.00 H new ATOM 1419 N VAL A 95 -18.822 -16.765 7.230 1.00 0.00 N ATOM 1420 CA VAL A 95 -20.101 -16.766 6.547 1.00 0.00 C ATOM 1421 C VAL A 95 -20.618 -15.357 6.364 1.00 0.00 C ATOM 1422 O VAL A 95 -20.425 -14.498 7.227 1.00 0.00 O ATOM 1423 CB VAL A 95 -21.167 -17.586 7.301 1.00 0.00 C ATOM 1424 CG1 VAL A 95 -21.015 -19.069 7.004 1.00 0.00 C ATOM 1425 CG2 VAL A 95 -21.091 -17.333 8.801 1.00 0.00 C ATOM 0 H VAL A 95 -18.796 -16.206 8.083 1.00 0.00 H new ATOM 0 HA VAL A 95 -19.926 -17.230 5.576 1.00 0.00 H new ATOM 0 HB VAL A 95 -22.147 -17.262 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.777 -19.629 7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.132 -19.240 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.027 -19.404 7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -21.854 -17.924 9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -20.106 -17.619 9.169 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -21.259 -16.275 9.000 1.00 0.00 H new ATOM 1435 N THR A 96 -21.250 -15.111 5.233 1.00 0.00 N ATOM 1436 CA THR A 96 -21.927 -13.852 5.025 1.00 0.00 C ATOM 1437 C THR A 96 -23.212 -13.790 5.837 1.00 0.00 C ATOM 1438 O THR A 96 -24.181 -14.496 5.552 1.00 0.00 O ATOM 1439 CB THR A 96 -22.246 -13.609 3.542 1.00 0.00 C ATOM 1440 OG1 THR A 96 -22.735 -14.811 2.927 1.00 0.00 O ATOM 1441 CG2 THR A 96 -21.021 -13.096 2.811 1.00 0.00 C ATOM 0 H THR A 96 -21.307 -15.763 4.451 1.00 0.00 H new ATOM 0 HA THR A 96 -21.247 -13.069 5.360 1.00 0.00 H new ATOM 0 HB THR A 96 -23.026 -12.850 3.479 1.00 0.00 H new ATOM 0 HG1 THR A 96 -22.052 -15.511 2.989 1.00 0.00 H new ATOM 0 HG21 THR A 96 -21.266 -12.930 1.762 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.695 -12.158 3.261 1.00 0.00 H new ATOM 0 HG23 THR A 96 -20.219 -13.831 2.884 1.00 0.00 H new ATOM 1449 N THR A 97 -23.196 -12.973 6.876 1.00 0.00 N ATOM 1450 CA THR A 97 -24.392 -12.692 7.655 1.00 0.00 C ATOM 1451 C THR A 97 -25.329 -11.760 6.886 1.00 0.00 C ATOM 1452 O THR A 97 -25.634 -10.652 7.329 1.00 0.00 O ATOM 1453 CB THR A 97 -24.024 -12.058 9.009 1.00 0.00 C ATOM 1454 OG1 THR A 97 -22.949 -11.123 8.830 1.00 0.00 O ATOM 1455 CG2 THR A 97 -23.615 -13.121 10.016 1.00 0.00 C ATOM 0 H THR A 97 -22.360 -12.488 7.203 1.00 0.00 H new ATOM 0 HA THR A 97 -24.904 -13.637 7.837 1.00 0.00 H new ATOM 0 HB THR A 97 -24.902 -11.540 9.394 1.00 0.00 H new ATOM 0 HG1 THR A 97 -22.719 -10.720 9.693 1.00 0.00 H new ATOM 0 HG21 THR A 97 -23.360 -12.646 10.963 1.00 0.00 H new ATOM 0 HG22 THR A 97 -24.442 -13.815 10.169 1.00 0.00 H new ATOM 0 HG23 THR A 97 -22.749 -13.666 9.639 1.00 0.00 H new ATOM 1463 N CYS A 98 -25.781 -12.222 5.732 1.00 0.00 N ATOM 1464 CA CYS A 98 -26.597 -11.409 4.847 1.00 0.00 C ATOM 1465 C CYS A 98 -28.031 -11.911 4.821 1.00 0.00 C ATOM 1466 O CYS A 98 -28.605 -12.126 3.754 1.00 0.00 O ATOM 1467 CB CYS A 98 -26.007 -11.423 3.439 1.00 0.00 C ATOM 1468 SG CYS A 98 -24.277 -10.856 3.361 1.00 0.00 S ATOM 0 H CYS A 98 -25.595 -13.163 5.385 1.00 0.00 H new ATOM 0 HA CYS A 98 -26.602 -10.386 5.223 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -26.066 -12.436 3.040 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -26.616 -10.790 2.793 1.00 0.00 H new