USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=26 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 72 THR OG1 : rot 81:sc= 1.5 USER MOD Set 1.2: A 75 LYS NZ :NH3+ 165:sc= 1.09 (180deg=0) USER MOD Set 2.1: A 63 ASN : amide:sc= 0.333 K(o=1.4,f=-4.2) USER MOD Set 2.2: A 71 LYS NZ :NH3+ -175:sc= 1.05 (180deg=-0.264) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0051 USER MOD Single : A 8 LYS NZ :NH3+ -115:sc= 1.92 (180deg=0.653) USER MOD Single : A 15 LYS NZ :NH3+ 166:sc= 0.583 (180deg=-0.0346) USER MOD Single : A 17 SER OG : rot -130:sc= 1.23 USER MOD Single : A 20 GLN : amide:sc= -0.247 K(o=-0.25,f=-5.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -2.08 F(o=-2.8!,f=-2.1) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 2.47 (180deg=2.4) USER MOD Single : A 33 ASN : amide:sc= 1.05 K(o=1,f=-5!) USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0.236 (180deg=0.234) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= 1.24 (180deg=0.365) USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 0.682 (180deg=0.174) USER MOD Single : A 50 THR OG1 : rot 84:sc= 1.31 USER MOD Single : A 54 HIS : no HD1:sc= 1.14 K(o=1.1,f=-5!) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 2.3 (180deg=2.01) USER MOD Single : A 57 SER OG : rot 69:sc= 1.26 USER MOD Single : A 61 LYS NZ :NH3+ -110:sc= 1.23 (180deg=-0.751!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.713 F(o=-1.6!,f=-0.71) USER MOD Single : A 70 GLN : amide:sc= -0.0609 X(o=-0.061,f=-0.061) USER MOD Single : A 73 THR OG1 : rot 69:sc= 1.24 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 57:sc= 0.533 USER MOD Single : A 79 GLN : amide:sc= 0.00497 K(o=0.005,f=-0.9) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -91:sc= 0.0272 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 93 ASN : amide:sc= -1.07 K(o=-1.1,f=-9.1!) USER MOD Single : A 96 THR OG1 : rot -176:sc= -0.821 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0217 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 7 4.689 -10.486 -7.367 1.00 0.00 N ATOM 78 CA SER A 7 4.616 -10.879 -5.967 1.00 0.00 C ATOM 79 C SER A 7 3.909 -12.221 -5.808 1.00 0.00 C ATOM 80 O SER A 7 3.477 -12.825 -6.790 1.00 0.00 O ATOM 81 CB SER A 7 3.899 -9.789 -5.155 1.00 0.00 C ATOM 82 OG SER A 7 3.933 -10.067 -3.764 1.00 0.00 O ATOM 0 HA SER A 7 5.631 -10.994 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.369 -8.824 -5.345 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.863 -9.710 -5.486 1.00 0.00 H new ATOM 0 HG SER A 7 3.470 -9.354 -3.276 1.00 0.00 H new ATOM 88 N LYS A 8 3.783 -12.669 -4.560 1.00 0.00 N ATOM 89 CA LYS A 8 3.144 -13.942 -4.247 1.00 0.00 C ATOM 90 C LYS A 8 1.721 -13.976 -4.786 1.00 0.00 C ATOM 91 O LYS A 8 1.272 -14.995 -5.302 1.00 0.00 O ATOM 92 CB LYS A 8 3.135 -14.178 -2.732 1.00 0.00 C ATOM 93 CG LYS A 8 4.524 -14.317 -2.126 1.00 0.00 C ATOM 94 CD LYS A 8 4.478 -14.356 -0.604 1.00 0.00 C ATOM 95 CE LYS A 8 3.679 -15.537 -0.081 1.00 0.00 C ATOM 96 NZ LYS A 8 3.797 -15.656 1.396 1.00 0.00 N ATOM 0 H LYS A 8 4.120 -12.161 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 8 3.717 -14.736 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.618 -13.350 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.563 -15.080 -2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.993 -15.228 -2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.146 -13.483 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.494 -14.406 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.039 -13.430 -0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.631 -15.420 -0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.032 -16.455 -0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.288 -16.541 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.338 -14.849 1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.848 -15.662 1.821 1.00 0.00 H new ATOM 110 N GLU A 9 1.025 -12.848 -4.685 1.00 0.00 N ATOM 111 CA GLU A 9 -0.346 -12.742 -5.171 1.00 0.00 C ATOM 112 C GLU A 9 -0.389 -12.900 -6.688 1.00 0.00 C ATOM 113 O GLU A 9 -1.327 -13.465 -7.243 1.00 0.00 O ATOM 114 CB GLU A 9 -0.956 -11.394 -4.758 1.00 0.00 C ATOM 115 CG GLU A 9 -0.220 -10.185 -5.316 1.00 0.00 C ATOM 116 CD GLU A 9 -0.864 -8.871 -4.920 1.00 0.00 C ATOM 117 OE1 GLU A 9 -1.891 -8.502 -5.529 1.00 0.00 O ATOM 118 OE2 GLU A 9 -0.333 -8.199 -4.010 1.00 0.00 O ATOM 0 H GLU A 9 1.390 -11.991 -4.269 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.934 -13.543 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.994 -11.360 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.967 -11.330 -3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.812 -10.199 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.187 -10.255 -6.403 1.00 0.00 H new ATOM 125 N GLU A 10 0.661 -12.427 -7.343 1.00 0.00 N ATOM 126 CA GLU A 10 0.746 -12.445 -8.793 1.00 0.00 C ATOM 127 C GLU A 10 1.142 -13.835 -9.277 1.00 0.00 C ATOM 128 O GLU A 10 0.676 -14.308 -10.310 1.00 0.00 O ATOM 129 CB GLU A 10 1.768 -11.404 -9.235 1.00 0.00 C ATOM 130 CG GLU A 10 1.709 -11.051 -10.710 1.00 0.00 C ATOM 131 CD GLU A 10 0.335 -10.609 -11.171 1.00 0.00 C ATOM 132 OE1 GLU A 10 -0.306 -9.797 -10.477 1.00 0.00 O ATOM 133 OE2 GLU A 10 -0.104 -11.063 -12.244 1.00 0.00 O ATOM 0 H GLU A 10 1.476 -12.021 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.224 -12.204 -9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.619 -10.496 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.767 -11.772 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.425 -10.255 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.019 -11.917 -11.295 1.00 0.00 H new ATOM 140 N LEU A 11 2.004 -14.479 -8.509 1.00 0.00 N ATOM 141 CA LEU A 11 2.431 -15.844 -8.801 1.00 0.00 C ATOM 142 C LEU A 11 1.289 -16.832 -8.585 1.00 0.00 C ATOM 143 O LEU A 11 1.034 -17.701 -9.419 1.00 0.00 O ATOM 144 CB LEU A 11 3.610 -16.230 -7.907 1.00 0.00 C ATOM 145 CG LEU A 11 4.871 -15.393 -8.099 1.00 0.00 C ATOM 146 CD1 LEU A 11 5.912 -15.752 -7.051 1.00 0.00 C ATOM 147 CD2 LEU A 11 5.432 -15.595 -9.497 1.00 0.00 C ATOM 0 H LEU A 11 2.427 -14.078 -7.672 1.00 0.00 H new ATOM 0 HA LEU A 11 2.736 -15.884 -9.847 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.297 -16.153 -6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.856 -17.276 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 11 4.610 -14.341 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.805 -15.146 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.508 -15.561 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.170 -16.807 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.331 -14.991 -9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.679 -16.647 -9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.689 -15.292 -10.235 1.00 0.00 H new ATOM 159 N LEU A 12 0.607 -16.686 -7.460 1.00 0.00 N ATOM 160 CA LEU A 12 -0.444 -17.614 -7.066 1.00 0.00 C ATOM 161 C LEU A 12 -1.708 -17.431 -7.898 1.00 0.00 C ATOM 162 O LEU A 12 -2.424 -18.396 -8.151 1.00 0.00 O ATOM 163 CB LEU A 12 -0.765 -17.427 -5.583 1.00 0.00 C ATOM 164 CG LEU A 12 -1.841 -18.353 -5.019 1.00 0.00 C ATOM 165 CD1 LEU A 12 -1.372 -19.802 -5.035 1.00 0.00 C ATOM 166 CD2 LEU A 12 -2.216 -17.922 -3.610 1.00 0.00 C ATOM 0 H LEU A 12 0.764 -15.927 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.079 -18.626 -7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.151 -17.572 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.079 -16.395 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.726 -18.282 -5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.155 -20.442 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.153 -20.102 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.472 -19.900 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.984 -18.589 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.335 -17.966 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.598 -16.901 -3.631 1.00 0.00 H new ATOM 178 N ARG A 13 -1.983 -16.205 -8.333 1.00 0.00 N ATOM 179 CA ARG A 13 -3.183 -15.942 -9.127 1.00 0.00 C ATOM 180 C ARG A 13 -3.117 -16.690 -10.457 1.00 0.00 C ATOM 181 O ARG A 13 -4.143 -16.973 -11.069 1.00 0.00 O ATOM 182 CB ARG A 13 -3.383 -14.440 -9.360 1.00 0.00 C ATOM 183 CG ARG A 13 -2.387 -13.821 -10.324 1.00 0.00 C ATOM 184 CD ARG A 13 -2.461 -12.305 -10.305 1.00 0.00 C ATOM 185 NE ARG A 13 -3.791 -11.804 -10.640 1.00 0.00 N ATOM 186 CZ ARG A 13 -4.024 -10.572 -11.084 1.00 0.00 C ATOM 187 NH1 ARG A 13 -3.018 -9.717 -11.239 1.00 0.00 N ATOM 188 NH2 ARG A 13 -5.263 -10.185 -11.362 1.00 0.00 N ATOM 0 H ARG A 13 -1.401 -15.387 -8.153 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.043 -16.306 -8.564 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.391 -14.274 -9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.314 -13.923 -8.403 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.378 -14.140 -10.061 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.583 -14.183 -11.333 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.179 -11.943 -9.316 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.736 -11.901 -11.011 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.585 -12.434 -10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.065 -10.005 -11.017 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.199 -8.773 -11.580 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.040 -10.833 -11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.438 -9.239 -11.702 1.00 0.00 H new ATOM 202 N GLU A 14 -1.902 -17.019 -10.884 1.00 0.00 N ATOM 203 CA GLU A 14 -1.704 -17.847 -12.064 1.00 0.00 C ATOM 204 C GLU A 14 -2.246 -19.252 -11.831 1.00 0.00 C ATOM 205 O GLU A 14 -2.635 -19.945 -12.767 1.00 0.00 O ATOM 206 CB GLU A 14 -0.227 -17.925 -12.411 1.00 0.00 C ATOM 207 CG GLU A 14 0.376 -16.584 -12.754 1.00 0.00 C ATOM 208 CD GLU A 14 -0.186 -15.987 -14.027 1.00 0.00 C ATOM 209 OE1 GLU A 14 -0.990 -15.040 -13.939 1.00 0.00 O ATOM 210 OE2 GLU A 14 0.194 -16.448 -15.125 1.00 0.00 O ATOM 0 H GLU A 14 -1.039 -16.723 -10.428 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.246 -17.391 -12.893 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.315 -18.355 -11.569 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.094 -18.602 -13.255 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.203 -15.893 -11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.456 -16.694 -12.857 1.00 0.00 H new ATOM 217 N LYS A 15 -2.267 -19.663 -10.566 1.00 0.00 N ATOM 218 CA LYS A 15 -2.723 -20.996 -10.196 1.00 0.00 C ATOM 219 C LYS A 15 -4.234 -21.009 -9.999 1.00 0.00 C ATOM 220 O LYS A 15 -4.861 -22.070 -9.958 1.00 0.00 O ATOM 221 CB LYS A 15 -2.056 -21.455 -8.898 1.00 0.00 C ATOM 222 CG LYS A 15 -0.543 -21.306 -8.876 1.00 0.00 C ATOM 223 CD LYS A 15 0.113 -21.920 -10.099 1.00 0.00 C ATOM 224 CE LYS A 15 -0.283 -23.379 -10.296 1.00 0.00 C ATOM 225 NZ LYS A 15 0.234 -24.265 -9.219 1.00 0.00 N ATOM 0 H LYS A 15 -1.972 -19.087 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.452 -21.674 -11.005 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.476 -20.886 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.307 -22.502 -8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.285 -20.248 -8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.146 -21.779 -7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.165 -21.348 -10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.196 -21.850 -10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.370 -23.454 -10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.093 -23.726 -11.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.250 -25.185 -9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.257 -24.405 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.057 -23.826 -8.293 1.00 0.00 H new ATOM 239 N LEU A 16 -4.807 -19.822 -9.876 1.00 0.00 N ATOM 240 CA LEU A 16 -6.202 -19.673 -9.505 1.00 0.00 C ATOM 241 C LEU A 16 -7.097 -19.588 -10.736 1.00 0.00 C ATOM 242 O LEU A 16 -6.617 -19.450 -11.863 1.00 0.00 O ATOM 243 CB LEU A 16 -6.381 -18.414 -8.651 1.00 0.00 C ATOM 244 CG LEU A 16 -5.487 -18.324 -7.413 1.00 0.00 C ATOM 245 CD1 LEU A 16 -5.715 -17.004 -6.695 1.00 0.00 C ATOM 246 CD2 LEU A 16 -5.743 -19.495 -6.478 1.00 0.00 C ATOM 0 H LEU A 16 -4.319 -18.940 -10.030 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.494 -20.552 -8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.193 -17.542 -9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.421 -18.358 -8.331 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.446 -18.369 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.073 -16.952 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.478 -16.179 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.758 -16.933 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.097 -19.411 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.786 -19.486 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.530 -20.429 -6.998 1.00 0.00 H new ATOM 258 N SER A 17 -8.397 -19.668 -10.506 1.00 0.00 N ATOM 259 CA SER A 17 -9.375 -19.514 -11.570 1.00 0.00 C ATOM 260 C SER A 17 -9.618 -18.025 -11.828 1.00 0.00 C ATOM 261 O SER A 17 -9.106 -17.178 -11.098 1.00 0.00 O ATOM 262 CB SER A 17 -10.676 -20.232 -11.190 1.00 0.00 C ATOM 263 OG SER A 17 -11.622 -20.193 -12.245 1.00 0.00 O ATOM 0 H SER A 17 -8.801 -19.840 -9.586 1.00 0.00 H new ATOM 0 HA SER A 17 -8.997 -19.965 -12.488 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.458 -21.269 -10.934 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.102 -19.767 -10.301 1.00 0.00 H new ATOM 0 HG SER A 17 -12.486 -19.888 -11.898 1.00 0.00 H new ATOM 269 N GLU A 18 -10.421 -17.705 -12.838 1.00 0.00 N ATOM 270 CA GLU A 18 -10.603 -16.320 -13.260 1.00 0.00 C ATOM 271 C GLU A 18 -11.409 -15.564 -12.218 1.00 0.00 C ATOM 272 O GLU A 18 -11.213 -14.368 -11.996 1.00 0.00 O ATOM 273 CB GLU A 18 -11.313 -16.260 -14.610 1.00 0.00 C ATOM 274 CG GLU A 18 -10.605 -17.040 -15.703 1.00 0.00 C ATOM 275 CD GLU A 18 -11.300 -16.920 -17.040 1.00 0.00 C ATOM 276 OE1 GLU A 18 -12.349 -17.571 -17.229 1.00 0.00 O ATOM 277 OE2 GLU A 18 -10.799 -16.177 -17.908 1.00 0.00 O ATOM 0 H GLU A 18 -10.955 -18.385 -13.379 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.622 -15.856 -13.362 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.326 -16.647 -14.496 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.403 -15.218 -14.918 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.580 -16.681 -15.796 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.550 -18.091 -15.418 1.00 0.00 H new ATOM 284 N ASP A 19 -12.309 -16.289 -11.586 1.00 0.00 N ATOM 285 CA ASP A 19 -13.138 -15.765 -10.518 1.00 0.00 C ATOM 286 C ASP A 19 -12.327 -15.621 -9.234 1.00 0.00 C ATOM 287 O ASP A 19 -12.402 -14.601 -8.551 1.00 0.00 O ATOM 288 CB ASP A 19 -14.331 -16.704 -10.313 1.00 0.00 C ATOM 289 CG ASP A 19 -13.911 -18.157 -10.164 1.00 0.00 C ATOM 290 OD1 ASP A 19 -14.045 -18.715 -9.060 1.00 0.00 O ATOM 291 OD2 ASP A 19 -13.437 -18.741 -11.162 1.00 0.00 O ATOM 0 H ASP A 19 -12.488 -17.270 -11.801 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.504 -14.774 -10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -14.883 -16.396 -9.425 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.012 -16.611 -11.159 1.00 0.00 H new ATOM 296 N GLN A 20 -11.524 -16.639 -8.939 1.00 0.00 N ATOM 297 CA GLN A 20 -10.682 -16.657 -7.745 1.00 0.00 C ATOM 298 C GLN A 20 -9.740 -15.453 -7.688 1.00 0.00 C ATOM 299 O GLN A 20 -9.457 -14.930 -6.611 1.00 0.00 O ATOM 300 CB GLN A 20 -9.871 -17.952 -7.702 1.00 0.00 C ATOM 301 CG GLN A 20 -10.624 -19.139 -7.122 1.00 0.00 C ATOM 302 CD GLN A 20 -9.903 -20.455 -7.359 1.00 0.00 C ATOM 303 OE1 GLN A 20 -8.687 -20.486 -7.529 1.00 0.00 O ATOM 304 NE2 GLN A 20 -10.637 -21.556 -7.340 1.00 0.00 N ATOM 0 H GLN A 20 -11.438 -17.474 -9.519 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.340 -16.602 -6.878 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.548 -18.199 -8.713 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.970 -17.784 -7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.761 -18.991 -6.051 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.618 -19.187 -7.567 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.645 -21.495 -7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.195 -22.466 -7.469 1.00 0.00 H new ATOM 313 N LYS A 21 -9.266 -15.011 -8.849 1.00 0.00 N ATOM 314 CA LYS A 21 -8.332 -13.887 -8.923 1.00 0.00 C ATOM 315 C LYS A 21 -8.964 -12.605 -8.383 1.00 0.00 C ATOM 316 O LYS A 21 -8.283 -11.774 -7.778 1.00 0.00 O ATOM 317 CB LYS A 21 -7.871 -13.667 -10.363 1.00 0.00 C ATOM 318 CG LYS A 21 -7.192 -14.878 -10.971 1.00 0.00 C ATOM 319 CD LYS A 21 -6.837 -14.644 -12.427 1.00 0.00 C ATOM 320 CE LYS A 21 -6.404 -15.933 -13.096 1.00 0.00 C ATOM 321 NZ LYS A 21 -6.014 -15.723 -14.512 1.00 0.00 N ATOM 0 H LYS A 21 -9.512 -15.413 -9.754 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.470 -14.134 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.732 -13.397 -10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.183 -12.822 -10.391 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.288 -15.111 -10.408 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.849 -15.744 -10.890 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.697 -14.229 -12.952 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.036 -13.908 -12.496 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.564 -16.361 -12.549 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.217 -16.657 -13.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.725 -16.630 -14.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.823 -15.339 -15.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.221 -15.052 -14.558 1.00 0.00 H new ATOM 335 N THR A 22 -10.266 -12.456 -8.590 1.00 0.00 N ATOM 336 CA THR A 22 -10.977 -11.278 -8.123 1.00 0.00 C ATOM 337 C THR A 22 -11.006 -11.243 -6.596 1.00 0.00 C ATOM 338 O THR A 22 -10.762 -10.207 -5.978 1.00 0.00 O ATOM 339 CB THR A 22 -12.419 -11.255 -8.666 1.00 0.00 C ATOM 340 OG1 THR A 22 -12.404 -11.432 -10.089 1.00 0.00 O ATOM 341 CG2 THR A 22 -13.113 -9.941 -8.328 1.00 0.00 C ATOM 0 H THR A 22 -10.849 -13.136 -9.078 1.00 0.00 H new ATOM 0 HA THR A 22 -10.448 -10.400 -8.493 1.00 0.00 H new ATOM 0 HB THR A 22 -12.971 -12.069 -8.196 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.323 -11.419 -10.430 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.129 -9.954 -8.724 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.147 -9.815 -7.246 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.561 -9.113 -8.772 1.00 0.00 H new ATOM 349 N HIS A 23 -11.267 -12.397 -5.997 1.00 0.00 N ATOM 350 CA HIS A 23 -11.378 -12.508 -4.548 1.00 0.00 C ATOM 351 C HIS A 23 -10.003 -12.523 -3.902 1.00 0.00 C ATOM 352 O HIS A 23 -9.858 -12.206 -2.724 1.00 0.00 O ATOM 353 CB HIS A 23 -12.166 -13.762 -4.182 1.00 0.00 C ATOM 354 CG HIS A 23 -13.506 -13.783 -4.834 1.00 0.00 C ATOM 355 ND1 HIS A 23 -14.575 -12.986 -4.617 1.00 0.00 N flip ATOM 356 CD2 HIS A 23 -13.789 -14.650 -5.855 1.00 0.00 C flip ATOM 357 CE1 HIS A 23 -15.535 -13.357 -5.521 1.00 0.00 C flip ATOM 358 NE2 HIS A 23 -15.015 -14.360 -6.243 1.00 0.00 N flip ATOM 0 H HIS A 23 -11.407 -13.276 -6.496 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.913 -11.637 -4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.602 -14.646 -4.481 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.287 -13.812 -3.100 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -13.141 -15.414 -6.259 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -16.519 -12.926 -5.631 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.506 -14.839 -6.998 1.00 0.00 H new ATOM 366 N LEU A 24 -9.002 -12.891 -4.687 1.00 0.00 N ATOM 367 CA LEU A 24 -7.616 -12.820 -4.256 1.00 0.00 C ATOM 368 C LEU A 24 -7.275 -11.373 -3.898 1.00 0.00 C ATOM 369 O LEU A 24 -6.819 -11.081 -2.795 1.00 0.00 O ATOM 370 CB LEU A 24 -6.706 -13.356 -5.378 1.00 0.00 C ATOM 371 CG LEU A 24 -5.231 -13.598 -5.021 1.00 0.00 C ATOM 372 CD1 LEU A 24 -4.450 -12.295 -4.994 1.00 0.00 C ATOM 373 CD2 LEU A 24 -5.118 -14.323 -3.690 1.00 0.00 C ATOM 0 H LEU A 24 -9.127 -13.245 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.459 -13.436 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.127 -14.295 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.743 -12.652 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.796 -14.229 -5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.410 -12.499 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.497 -11.823 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.882 -11.627 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.067 -14.486 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.577 -13.720 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.629 -15.284 -3.754 1.00 0.00 H new ATOM 385 N ASP A 25 -7.538 -10.465 -4.829 1.00 0.00 N ATOM 386 CA ASP A 25 -7.301 -9.042 -4.598 1.00 0.00 C ATOM 387 C ASP A 25 -8.254 -8.512 -3.532 1.00 0.00 C ATOM 388 O ASP A 25 -7.857 -7.721 -2.676 1.00 0.00 O ATOM 389 CB ASP A 25 -7.470 -8.246 -5.893 1.00 0.00 C ATOM 390 CG ASP A 25 -7.067 -6.789 -5.736 1.00 0.00 C ATOM 391 OD1 ASP A 25 -5.852 -6.494 -5.796 1.00 0.00 O ATOM 392 OD2 ASP A 25 -7.957 -5.935 -5.560 1.00 0.00 O ATOM 0 H ASP A 25 -7.915 -10.686 -5.751 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.276 -8.921 -4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.868 -8.704 -6.678 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.510 -8.300 -6.216 1.00 0.00 H new ATOM 397 N TRP A 26 -9.505 -8.970 -3.585 1.00 0.00 N ATOM 398 CA TRP A 26 -10.517 -8.586 -2.602 1.00 0.00 C ATOM 399 C TRP A 26 -10.028 -8.866 -1.185 1.00 0.00 C ATOM 400 O TRP A 26 -10.114 -8.008 -0.313 1.00 0.00 O ATOM 401 CB TRP A 26 -11.831 -9.342 -2.859 1.00 0.00 C ATOM 402 CG TRP A 26 -12.910 -9.057 -1.846 1.00 0.00 C ATOM 403 CD1 TRP A 26 -13.862 -8.082 -1.917 1.00 0.00 C ATOM 404 CD2 TRP A 26 -13.145 -9.756 -0.613 1.00 0.00 C ATOM 405 NE1 TRP A 26 -14.670 -8.129 -0.806 1.00 0.00 N ATOM 406 CE2 TRP A 26 -14.249 -9.145 0.009 1.00 0.00 C ATOM 407 CE3 TRP A 26 -12.529 -10.837 0.025 1.00 0.00 C ATOM 408 CZ2 TRP A 26 -14.752 -9.580 1.234 1.00 0.00 C ATOM 409 CZ3 TRP A 26 -13.023 -11.264 1.243 1.00 0.00 C ATOM 410 CH2 TRP A 26 -14.125 -10.636 1.836 1.00 0.00 C ATOM 0 H TRP A 26 -9.843 -9.611 -4.303 1.00 0.00 H new ATOM 0 HA TRP A 26 -10.698 -7.516 -2.704 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -12.200 -9.081 -3.851 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.627 -10.413 -2.866 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -13.966 -7.376 -2.728 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -15.457 -7.507 -0.619 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.681 -11.330 -0.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -15.605 -9.101 1.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -12.551 -12.096 1.746 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.487 -10.993 2.789 1.00 0.00 H new ATOM 421 N LEU A 27 -9.505 -10.067 -0.975 1.00 0.00 N ATOM 422 CA LEU A 27 -9.070 -10.501 0.346 1.00 0.00 C ATOM 423 C LEU A 27 -7.926 -9.620 0.843 1.00 0.00 C ATOM 424 O LEU A 27 -7.839 -9.300 2.028 1.00 0.00 O ATOM 425 CB LEU A 27 -8.651 -11.975 0.292 1.00 0.00 C ATOM 426 CG LEU A 27 -8.870 -12.770 1.582 1.00 0.00 C ATOM 427 CD1 LEU A 27 -8.852 -14.259 1.300 1.00 0.00 C ATOM 428 CD2 LEU A 27 -7.818 -12.432 2.617 1.00 0.00 C ATOM 0 H LEU A 27 -9.371 -10.763 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.896 -10.402 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.202 -12.462 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.594 -12.025 0.030 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.847 -12.494 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.009 -14.807 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.646 -14.505 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.888 -14.537 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.999 -13.011 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.830 -12.672 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.866 -11.369 2.851 1.00 0.00 H new ATOM 440 N LYS A 28 -7.065 -9.214 -0.077 1.00 0.00 N ATOM 441 CA LYS A 28 -5.972 -8.303 0.238 1.00 0.00 C ATOM 442 C LYS A 28 -6.511 -6.976 0.741 1.00 0.00 C ATOM 443 O LYS A 28 -6.131 -6.501 1.812 1.00 0.00 O ATOM 444 CB LYS A 28 -5.104 -8.089 -1.000 1.00 0.00 C ATOM 445 CG LYS A 28 -4.048 -7.009 -0.846 1.00 0.00 C ATOM 446 CD LYS A 28 -3.070 -7.032 -2.006 1.00 0.00 C ATOM 447 CE LYS A 28 -3.779 -7.036 -3.349 1.00 0.00 C ATOM 448 NZ LYS A 28 -4.467 -5.750 -3.634 1.00 0.00 N ATOM 0 H LYS A 28 -7.102 -9.502 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.363 -8.744 1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.612 -9.029 -1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.748 -7.833 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.528 -6.032 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.510 -7.153 0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.415 -6.163 -1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.436 -7.915 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.055 -7.239 -4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.508 -7.846 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.084 -5.863 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.040 -5.473 -2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.759 -5.013 -3.827 1.00 0.00 H new ATOM 462 N GLU A 29 -7.409 -6.396 -0.036 1.00 0.00 N ATOM 463 CA GLU A 29 -8.031 -5.127 0.319 1.00 0.00 C ATOM 464 C GLU A 29 -8.878 -5.269 1.589 1.00 0.00 C ATOM 465 O GLU A 29 -9.060 -4.313 2.340 1.00 0.00 O ATOM 466 CB GLU A 29 -8.906 -4.629 -0.829 1.00 0.00 C ATOM 467 CG GLU A 29 -8.226 -4.678 -2.188 1.00 0.00 C ATOM 468 CD GLU A 29 -6.959 -3.851 -2.262 1.00 0.00 C ATOM 469 OE1 GLU A 29 -5.892 -4.342 -1.838 1.00 0.00 O ATOM 470 OE2 GLU A 29 -7.019 -2.719 -2.776 1.00 0.00 O ATOM 0 H GLU A 29 -7.727 -6.785 -0.924 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.238 -4.404 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.815 -5.229 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.210 -3.603 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.988 -5.714 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.924 -4.326 -2.947 1.00 0.00 H new ATOM 477 N ALA A 30 -9.399 -6.473 1.803 1.00 0.00 N ATOM 478 CA ALA A 30 -10.204 -6.783 2.980 1.00 0.00 C ATOM 479 C ALA A 30 -9.346 -6.806 4.237 1.00 0.00 C ATOM 480 O ALA A 30 -9.714 -6.242 5.265 1.00 0.00 O ATOM 481 CB ALA A 30 -10.901 -8.124 2.796 1.00 0.00 C ATOM 0 H ALA A 30 -9.275 -7.260 1.167 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.955 -6.002 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.499 -8.347 3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.549 -8.080 1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.155 -8.906 2.656 1.00 0.00 H new ATOM 487 N LEU A 31 -8.200 -7.471 4.143 1.00 0.00 N ATOM 488 CA LEU A 31 -7.270 -7.560 5.259 1.00 0.00 C ATOM 489 C LEU A 31 -6.617 -6.211 5.521 1.00 0.00 C ATOM 490 O LEU A 31 -6.289 -5.885 6.664 1.00 0.00 O ATOM 491 CB LEU A 31 -6.196 -8.618 4.981 1.00 0.00 C ATOM 492 CG LEU A 31 -6.704 -10.061 4.934 1.00 0.00 C ATOM 493 CD1 LEU A 31 -5.553 -11.020 4.710 1.00 0.00 C ATOM 494 CD2 LEU A 31 -7.446 -10.414 6.211 1.00 0.00 C ATOM 0 H LEU A 31 -7.893 -7.958 3.301 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.831 -7.855 6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.717 -8.386 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.428 -8.544 5.751 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.399 -10.150 4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.931 -12.042 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.063 -10.786 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.835 -10.923 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.798 -11.444 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.775 -10.306 7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.298 -9.746 6.333 1.00 0.00 H new ATOM 506 N GLY A 32 -6.428 -5.442 4.454 1.00 0.00 N ATOM 507 CA GLY A 32 -5.845 -4.123 4.569 1.00 0.00 C ATOM 508 C GLY A 32 -4.454 -4.159 5.167 1.00 0.00 C ATOM 509 O GLY A 32 -4.103 -3.311 5.991 1.00 0.00 O ATOM 0 H GLY A 32 -6.672 -5.715 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.802 -3.660 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.488 -3.497 5.188 1.00 0.00 H new ATOM 513 N ASN A 33 -3.662 -5.144 4.764 1.00 0.00 N ATOM 514 CA ASN A 33 -2.318 -5.293 5.298 1.00 0.00 C ATOM 515 C ASN A 33 -1.437 -6.067 4.337 1.00 0.00 C ATOM 516 O ASN A 33 -1.882 -6.493 3.271 1.00 0.00 O ATOM 517 CB ASN A 33 -2.339 -6.023 6.642 1.00 0.00 C ATOM 518 CG ASN A 33 -1.327 -5.458 7.616 1.00 0.00 C ATOM 519 OD1 ASN A 33 -0.273 -4.960 7.220 1.00 0.00 O ATOM 520 ND2 ASN A 33 -1.640 -5.537 8.895 1.00 0.00 N ATOM 0 H ASN A 33 -3.926 -5.847 4.073 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.914 -4.290 5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.336 -5.953 7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.135 -7.082 6.482 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.997 -5.177 9.601 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.525 -5.958 9.178 1.00 0.00 H new ATOM 527 N ASP A 34 -0.190 -6.245 4.730 1.00 0.00 N ATOM 528 CA ASP A 34 0.768 -7.003 3.949 1.00 0.00 C ATOM 529 C ASP A 34 0.995 -8.367 4.594 1.00 0.00 C ATOM 530 O ASP A 34 1.003 -9.392 3.918 1.00 0.00 O ATOM 531 CB ASP A 34 2.086 -6.226 3.859 1.00 0.00 C ATOM 532 CG ASP A 34 3.095 -6.868 2.929 1.00 0.00 C ATOM 533 OD1 ASP A 34 3.932 -7.661 3.405 1.00 0.00 O ATOM 534 OD2 ASP A 34 3.080 -6.550 1.720 1.00 0.00 O ATOM 0 H ASP A 34 0.187 -5.868 5.600 1.00 0.00 H new ATOM 0 HA ASP A 34 0.380 -7.155 2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.880 -5.212 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.521 -6.144 4.855 1.00 0.00 H new ATOM 539 N GLY A 35 1.130 -8.361 5.919 1.00 0.00 N ATOM 540 CA GLY A 35 1.452 -9.569 6.660 1.00 0.00 C ATOM 541 C GLY A 35 0.379 -10.647 6.592 1.00 0.00 C ATOM 542 O GLY A 35 0.667 -11.779 6.207 1.00 0.00 O ATOM 0 H GLY A 35 1.020 -7.529 6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.387 -9.978 6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.622 -9.307 7.704 1.00 0.00 H new ATOM 546 N GLU A 36 -0.852 -10.321 6.979 1.00 0.00 N ATOM 547 CA GLU A 36 -1.913 -11.323 7.025 1.00 0.00 C ATOM 548 C GLU A 36 -2.184 -11.917 5.646 1.00 0.00 C ATOM 549 O GLU A 36 -2.376 -13.126 5.507 1.00 0.00 O ATOM 550 CB GLU A 36 -3.206 -10.733 7.590 1.00 0.00 C ATOM 551 CG GLU A 36 -3.068 -10.142 8.987 1.00 0.00 C ATOM 552 CD GLU A 36 -2.574 -8.711 8.978 1.00 0.00 C ATOM 553 OE1 GLU A 36 -3.418 -7.791 9.018 1.00 0.00 O ATOM 554 OE2 GLU A 36 -1.343 -8.499 8.922 1.00 0.00 O ATOM 0 H GLU A 36 -1.137 -9.383 7.262 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.568 -12.119 7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.563 -9.957 6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.968 -11.512 7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.034 -10.184 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.379 -10.755 9.568 1.00 0.00 H new ATOM 561 N PHE A 37 -2.185 -11.072 4.626 1.00 0.00 N ATOM 562 CA PHE A 37 -2.468 -11.535 3.277 1.00 0.00 C ATOM 563 C PHE A 37 -1.281 -12.327 2.737 1.00 0.00 C ATOM 564 O PHE A 37 -1.442 -13.222 1.906 1.00 0.00 O ATOM 565 CB PHE A 37 -2.822 -10.361 2.358 1.00 0.00 C ATOM 566 CG PHE A 37 -3.267 -10.791 0.990 1.00 0.00 C ATOM 567 CD1 PHE A 37 -2.482 -10.530 -0.122 1.00 0.00 C ATOM 568 CD2 PHE A 37 -4.469 -11.465 0.816 1.00 0.00 C ATOM 569 CE1 PHE A 37 -2.886 -10.929 -1.381 1.00 0.00 C ATOM 570 CE2 PHE A 37 -4.876 -11.863 -0.441 1.00 0.00 C ATOM 571 CZ PHE A 37 -4.085 -11.596 -1.539 1.00 0.00 C ATOM 0 H PHE A 37 -1.995 -10.073 4.705 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.334 -12.196 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.613 -9.772 2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.954 -9.709 2.262 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.544 -10.009 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.091 -11.680 1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.266 -10.720 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.814 -12.384 -0.565 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.403 -11.909 -2.523 1.00 0.00 H new ATOM 581 N ASP A 38 -0.090 -12.000 3.229 1.00 0.00 N ATOM 582 CA ASP A 38 1.106 -12.789 2.943 1.00 0.00 C ATOM 583 C ASP A 38 0.892 -14.231 3.335 1.00 0.00 C ATOM 584 O ASP A 38 1.155 -15.151 2.558 1.00 0.00 O ATOM 585 CB ASP A 38 2.301 -12.259 3.727 1.00 0.00 C ATOM 586 CG ASP A 38 3.479 -13.215 3.703 1.00 0.00 C ATOM 587 OD1 ASP A 38 4.142 -13.326 2.650 1.00 0.00 O ATOM 588 OD2 ASP A 38 3.740 -13.875 4.735 1.00 0.00 O ATOM 0 H ASP A 38 0.074 -11.192 3.829 1.00 0.00 H new ATOM 0 HA ASP A 38 1.301 -12.715 1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.607 -11.299 3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.003 -12.079 4.760 1.00 0.00 H new ATOM 593 N LYS A 39 0.421 -14.410 4.558 1.00 0.00 N ATOM 594 CA LYS A 39 0.172 -15.741 5.094 1.00 0.00 C ATOM 595 C LYS A 39 -0.840 -16.492 4.225 1.00 0.00 C ATOM 596 O LYS A 39 -0.662 -17.675 3.946 1.00 0.00 O ATOM 597 CB LYS A 39 -0.306 -15.656 6.549 1.00 0.00 C ATOM 598 CG LYS A 39 -0.573 -17.004 7.220 1.00 0.00 C ATOM 599 CD LYS A 39 0.686 -17.866 7.360 1.00 0.00 C ATOM 600 CE LYS A 39 0.941 -18.714 6.120 1.00 0.00 C ATOM 601 NZ LYS A 39 2.041 -19.697 6.308 1.00 0.00 N ATOM 0 H LYS A 39 0.202 -13.649 5.201 1.00 0.00 H new ATOM 0 HA LYS A 39 1.108 -16.300 5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.443 -15.119 7.131 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.220 -15.063 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.001 -16.833 8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.317 -17.550 6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.547 -17.223 7.542 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.585 -18.516 8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.027 -19.245 5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.184 -18.060 5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.147 -20.268 5.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.929 -19.191 6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.817 -20.320 7.110 1.00 0.00 H new ATOM 615 N PHE A 40 -1.882 -15.802 3.770 1.00 0.00 N ATOM 616 CA PHE A 40 -2.877 -16.417 2.898 1.00 0.00 C ATOM 617 C PHE A 40 -2.225 -16.914 1.609 1.00 0.00 C ATOM 618 O PHE A 40 -2.552 -17.987 1.108 1.00 0.00 O ATOM 619 CB PHE A 40 -3.999 -15.428 2.576 1.00 0.00 C ATOM 620 CG PHE A 40 -5.045 -15.996 1.658 1.00 0.00 C ATOM 621 CD1 PHE A 40 -5.936 -16.958 2.110 1.00 0.00 C ATOM 622 CD2 PHE A 40 -5.131 -15.573 0.345 1.00 0.00 C ATOM 623 CE1 PHE A 40 -6.892 -17.485 1.265 1.00 0.00 C ATOM 624 CE2 PHE A 40 -6.084 -16.095 -0.506 1.00 0.00 C ATOM 625 CZ PHE A 40 -6.966 -17.055 -0.044 1.00 0.00 C ATOM 0 H PHE A 40 -2.059 -14.822 3.989 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.308 -17.270 3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.473 -15.112 3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.569 -14.537 2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.881 -17.298 3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.444 -14.824 -0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.581 -18.233 1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.141 -15.755 -1.529 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.712 -17.468 -0.707 1.00 0.00 H new ATOM 635 N LEU A 41 -1.284 -16.133 1.097 1.00 0.00 N ATOM 636 CA LEU A 41 -0.572 -16.483 -0.126 1.00 0.00 C ATOM 637 C LEU A 41 0.439 -17.602 0.128 1.00 0.00 C ATOM 638 O LEU A 41 0.970 -18.195 -0.809 1.00 0.00 O ATOM 639 CB LEU A 41 0.149 -15.255 -0.680 1.00 0.00 C ATOM 640 CG LEU A 41 -0.750 -14.068 -1.024 1.00 0.00 C ATOM 641 CD1 LEU A 41 0.092 -12.855 -1.382 1.00 0.00 C ATOM 642 CD2 LEU A 41 -1.688 -14.427 -2.165 1.00 0.00 C ATOM 0 H LEU A 41 -0.994 -15.247 1.512 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.302 -16.837 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.889 -14.929 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.694 -15.548 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.353 -13.822 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.562 -12.017 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.724 -12.588 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.718 -13.088 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.322 -13.571 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.104 -14.696 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.312 -15.271 -1.871 1.00 0.00 H new ATOM 654 N GLY A 42 0.715 -17.865 1.396 1.00 0.00 N ATOM 655 CA GLY A 42 1.652 -18.908 1.756 1.00 0.00 C ATOM 656 C GLY A 42 0.972 -20.095 2.404 1.00 0.00 C ATOM 657 O GLY A 42 1.395 -20.561 3.467 1.00 0.00 O ATOM 0 H GLY A 42 0.303 -17.371 2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.183 -19.239 0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.398 -18.502 2.439 1.00 0.00 H new ATOM 661 N TYR A 43 -0.097 -20.574 1.778 1.00 0.00 N ATOM 662 CA TYR A 43 -0.798 -21.760 2.251 1.00 0.00 C ATOM 663 C TYR A 43 -0.866 -22.826 1.165 1.00 0.00 C ATOM 664 O TYR A 43 -0.220 -22.713 0.124 1.00 0.00 O ATOM 665 CB TYR A 43 -2.219 -21.422 2.715 1.00 0.00 C ATOM 666 CG TYR A 43 -2.309 -20.986 4.157 1.00 0.00 C ATOM 667 CD1 TYR A 43 -2.888 -19.774 4.503 1.00 0.00 C ATOM 668 CD2 TYR A 43 -1.830 -21.800 5.174 1.00 0.00 C ATOM 669 CE1 TYR A 43 -2.987 -19.385 5.824 1.00 0.00 C ATOM 670 CE2 TYR A 43 -1.922 -21.419 6.495 1.00 0.00 C ATOM 671 CZ TYR A 43 -2.502 -20.212 6.816 1.00 0.00 C ATOM 672 OH TYR A 43 -2.603 -19.834 8.134 1.00 0.00 O ATOM 0 H TYR A 43 -0.498 -20.156 0.938 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.232 -22.146 3.099 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.618 -20.630 2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.854 -22.296 2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.267 -19.125 3.727 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.377 -22.749 4.926 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.441 -18.439 6.079 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.542 -22.063 7.274 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.214 -20.530 8.705 1.00 0.00 H new ATOM 682 N ASP A 44 -1.654 -23.862 1.426 1.00 0.00 N ATOM 683 CA ASP A 44 -1.865 -24.939 0.461 1.00 0.00 C ATOM 684 C ASP A 44 -2.806 -24.472 -0.636 1.00 0.00 C ATOM 685 O ASP A 44 -3.842 -23.878 -0.342 1.00 0.00 O ATOM 686 CB ASP A 44 -2.492 -26.149 1.155 1.00 0.00 C ATOM 687 CG ASP A 44 -2.381 -27.423 0.345 1.00 0.00 C ATOM 688 OD1 ASP A 44 -3.112 -27.562 -0.654 1.00 0.00 O ATOM 689 OD2 ASP A 44 -1.587 -28.308 0.730 1.00 0.00 O ATOM 0 H ASP A 44 -2.161 -23.981 2.303 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.901 -25.215 0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.009 -26.297 2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.544 -25.942 1.353 1.00 0.00 H new ATOM 694 N GLU A 45 -2.467 -24.755 -1.889 1.00 0.00 N ATOM 695 CA GLU A 45 -3.312 -24.372 -3.013 1.00 0.00 C ATOM 696 C GLU A 45 -4.726 -24.926 -2.861 1.00 0.00 C ATOM 697 O GLU A 45 -5.698 -24.257 -3.212 1.00 0.00 O ATOM 698 CB GLU A 45 -2.705 -24.844 -4.330 1.00 0.00 C ATOM 699 CG GLU A 45 -1.770 -23.832 -4.965 1.00 0.00 C ATOM 700 CD GLU A 45 -1.296 -24.259 -6.340 1.00 0.00 C ATOM 701 OE1 GLU A 45 -2.148 -24.477 -7.230 1.00 0.00 O ATOM 702 OE2 GLU A 45 -0.071 -24.364 -6.544 1.00 0.00 O ATOM 0 H GLU A 45 -1.613 -25.248 -2.151 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.372 -23.284 -3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.160 -25.772 -4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.509 -25.073 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.279 -22.871 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.906 -23.684 -4.317 1.00 0.00 H new ATOM 709 N SER A 46 -4.843 -26.128 -2.304 1.00 0.00 N ATOM 710 CA SER A 46 -6.145 -26.760 -2.140 1.00 0.00 C ATOM 711 C SER A 46 -6.961 -26.025 -1.080 1.00 0.00 C ATOM 712 O SER A 46 -8.187 -25.995 -1.145 1.00 0.00 O ATOM 713 CB SER A 46 -5.985 -28.239 -1.765 1.00 0.00 C ATOM 714 OG SER A 46 -5.263 -28.948 -2.761 1.00 0.00 O ATOM 0 H SER A 46 -4.057 -26.680 -1.961 1.00 0.00 H new ATOM 0 HA SER A 46 -6.678 -26.704 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.466 -28.320 -0.810 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.968 -28.692 -1.634 1.00 0.00 H new ATOM 0 HG SER A 46 -5.175 -29.887 -2.495 1.00 0.00 H new ATOM 720 N LYS A 47 -6.280 -25.405 -0.122 1.00 0.00 N ATOM 721 CA LYS A 47 -6.967 -24.675 0.931 1.00 0.00 C ATOM 722 C LYS A 47 -7.253 -23.245 0.496 1.00 0.00 C ATOM 723 O LYS A 47 -8.295 -22.681 0.829 1.00 0.00 O ATOM 724 CB LYS A 47 -6.145 -24.712 2.227 1.00 0.00 C ATOM 725 CG LYS A 47 -6.077 -26.112 2.819 1.00 0.00 C ATOM 726 CD LYS A 47 -5.343 -26.160 4.148 1.00 0.00 C ATOM 727 CE LYS A 47 -5.263 -27.593 4.657 1.00 0.00 C ATOM 728 NZ LYS A 47 -4.596 -27.692 5.982 1.00 0.00 N ATOM 0 H LYS A 47 -5.262 -25.394 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.925 -25.158 1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.135 -24.354 2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.586 -24.031 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.089 -26.492 2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.580 -26.776 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.339 -25.752 4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.858 -25.536 4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.269 -28.006 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.720 -28.202 3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.189 -28.642 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.839 -26.982 6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.293 -27.521 6.735 1.00 0.00 H new ATOM 742 N ILE A 48 -6.340 -22.683 -0.281 1.00 0.00 N ATOM 743 CA ILE A 48 -6.472 -21.318 -0.774 1.00 0.00 C ATOM 744 C ILE A 48 -7.653 -21.179 -1.740 1.00 0.00 C ATOM 745 O ILE A 48 -8.503 -20.304 -1.571 1.00 0.00 O ATOM 746 CB ILE A 48 -5.174 -20.870 -1.476 1.00 0.00 C ATOM 747 CG1 ILE A 48 -4.021 -20.812 -0.470 1.00 0.00 C ATOM 748 CG2 ILE A 48 -5.362 -19.521 -2.161 1.00 0.00 C ATOM 749 CD1 ILE A 48 -2.673 -20.545 -1.101 1.00 0.00 C ATOM 0 H ILE A 48 -5.490 -23.156 -0.587 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.658 -20.677 0.088 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.928 -21.603 -2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.229 -20.032 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.977 -21.756 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.432 -19.228 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.154 -19.599 -2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.635 -18.771 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.907 -20.518 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.441 -21.337 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.698 -19.587 -1.620 1.00 0.00 H new ATOM 761 N LYS A 49 -7.707 -22.051 -2.743 1.00 0.00 N ATOM 762 CA LYS A 49 -8.763 -21.987 -3.755 1.00 0.00 C ATOM 763 C LYS A 49 -10.129 -22.254 -3.135 1.00 0.00 C ATOM 764 O LYS A 49 -11.129 -21.655 -3.533 1.00 0.00 O ATOM 765 CB LYS A 49 -8.487 -22.985 -4.881 1.00 0.00 C ATOM 766 CG LYS A 49 -7.132 -22.775 -5.540 1.00 0.00 C ATOM 767 CD LYS A 49 -6.764 -23.915 -6.472 1.00 0.00 C ATOM 768 CE LYS A 49 -5.392 -23.697 -7.091 1.00 0.00 C ATOM 769 NZ LYS A 49 -4.961 -24.861 -7.905 1.00 0.00 N ATOM 0 H LYS A 49 -7.037 -22.808 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.769 -20.980 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.538 -23.998 -4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.269 -22.899 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.143 -21.840 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.367 -22.676 -4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.772 -24.856 -5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.512 -24.000 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.414 -22.805 -7.716 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.662 -23.516 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.930 -24.974 -7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.430 -25.721 -7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.221 -24.704 -8.900 1.00 0.00 H new ATOM 783 N THR A 50 -10.165 -23.149 -2.154 1.00 0.00 N ATOM 784 CA THR A 50 -11.393 -23.437 -1.431 1.00 0.00 C ATOM 785 C THR A 50 -11.856 -22.205 -0.653 1.00 0.00 C ATOM 786 O THR A 50 -13.035 -21.853 -0.680 1.00 0.00 O ATOM 787 CB THR A 50 -11.196 -24.622 -0.468 1.00 0.00 C ATOM 788 OG1 THR A 50 -10.777 -25.773 -1.205 1.00 0.00 O ATOM 789 CG2 THR A 50 -12.478 -24.942 0.283 1.00 0.00 C ATOM 0 H THR A 50 -9.356 -23.687 -1.843 1.00 0.00 H new ATOM 0 HA THR A 50 -12.159 -23.705 -2.159 1.00 0.00 H new ATOM 0 HB THR A 50 -10.433 -24.345 0.260 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.807 -25.740 -1.339 1.00 0.00 H new ATOM 0 HG21 THR A 50 -12.306 -25.783 0.955 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.787 -24.072 0.863 1.00 0.00 H new ATOM 0 HG23 THR A 50 -13.262 -25.201 -0.429 1.00 0.00 H new ATOM 797 N ALA A 51 -10.915 -21.546 0.017 1.00 0.00 N ATOM 798 CA ALA A 51 -11.218 -20.332 0.765 1.00 0.00 C ATOM 799 C ALA A 51 -11.789 -19.260 -0.153 1.00 0.00 C ATOM 800 O ALA A 51 -12.795 -18.628 0.168 1.00 0.00 O ATOM 801 CB ALA A 51 -9.972 -19.810 1.470 1.00 0.00 C ATOM 0 H ALA A 51 -9.937 -21.833 0.057 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.967 -20.578 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.219 -18.904 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.601 -20.567 2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.203 -19.586 0.731 1.00 0.00 H new ATOM 807 N LEU A 52 -11.155 -19.078 -1.306 1.00 0.00 N ATOM 808 CA LEU A 52 -11.588 -18.075 -2.272 1.00 0.00 C ATOM 809 C LEU A 52 -12.980 -18.381 -2.815 1.00 0.00 C ATOM 810 O LEU A 52 -13.841 -17.506 -2.826 1.00 0.00 O ATOM 811 CB LEU A 52 -10.585 -17.971 -3.421 1.00 0.00 C ATOM 812 CG LEU A 52 -9.203 -17.448 -3.027 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.264 -17.491 -4.218 1.00 0.00 C ATOM 814 CD2 LEU A 52 -9.302 -16.030 -2.486 1.00 0.00 C ATOM 0 H LEU A 52 -10.337 -19.614 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.635 -17.118 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.469 -18.956 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.000 -17.316 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.803 -18.090 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.284 -17.116 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.168 -18.518 -4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.664 -16.870 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.309 -15.675 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.722 -15.377 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.947 -16.020 -1.607 1.00 0.00 H new ATOM 826 N ASP A 53 -13.210 -19.622 -3.245 1.00 0.00 N ATOM 827 CA ASP A 53 -14.505 -19.997 -3.822 1.00 0.00 C ATOM 828 C ASP A 53 -15.605 -19.930 -2.763 1.00 0.00 C ATOM 829 O ASP A 53 -16.757 -19.617 -3.068 1.00 0.00 O ATOM 830 CB ASP A 53 -14.450 -21.397 -4.448 1.00 0.00 C ATOM 831 CG ASP A 53 -15.683 -21.716 -5.286 1.00 0.00 C ATOM 832 OD1 ASP A 53 -16.669 -22.250 -4.735 1.00 0.00 O ATOM 833 OD2 ASP A 53 -15.666 -21.437 -6.509 1.00 0.00 O ATOM 0 H ASP A 53 -12.526 -20.378 -3.207 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.737 -19.283 -4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.561 -21.476 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.351 -22.140 -3.657 1.00 0.00 H new ATOM 838 N HIS A 54 -15.245 -20.209 -1.514 1.00 0.00 N ATOM 839 CA HIS A 54 -16.185 -20.085 -0.406 1.00 0.00 C ATOM 840 C HIS A 54 -16.534 -18.619 -0.172 1.00 0.00 C ATOM 841 O HIS A 54 -17.708 -18.259 -0.092 1.00 0.00 O ATOM 842 CB HIS A 54 -15.608 -20.698 0.873 1.00 0.00 C ATOM 843 CG HIS A 54 -16.515 -20.556 2.058 1.00 0.00 C ATOM 844 ND1 HIS A 54 -17.671 -21.292 2.175 1.00 0.00 N ATOM 845 CD2 HIS A 54 -16.408 -19.721 3.117 1.00 0.00 C ATOM 846 CE1 HIS A 54 -18.240 -20.884 3.297 1.00 0.00 C ATOM 847 NE2 HIS A 54 -17.508 -19.937 3.900 1.00 0.00 N ATOM 0 H HIS A 54 -14.312 -20.521 -1.245 1.00 0.00 H new ATOM 0 HA HIS A 54 -17.092 -20.630 -0.668 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -15.407 -21.756 0.702 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -14.652 -20.224 1.096 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.609 -19.020 3.307 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -19.176 -21.265 3.679 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -17.730 -19.466 4.777 1.00 0.00 H new ATOM 855 N ILE A 55 -15.505 -17.783 -0.060 1.00 0.00 N ATOM 856 CA ILE A 55 -15.687 -16.339 0.056 1.00 0.00 C ATOM 857 C ILE A 55 -16.553 -15.830 -1.091 1.00 0.00 C ATOM 858 O ILE A 55 -17.504 -15.078 -0.893 1.00 0.00 O ATOM 859 CB ILE A 55 -14.317 -15.618 0.037 1.00 0.00 C ATOM 860 CG1 ILE A 55 -13.582 -15.867 1.354 1.00 0.00 C ATOM 861 CG2 ILE A 55 -14.465 -14.126 -0.223 1.00 0.00 C ATOM 862 CD1 ILE A 55 -12.193 -15.269 1.407 1.00 0.00 C ATOM 0 H ILE A 55 -14.530 -18.084 -0.047 1.00 0.00 H new ATOM 0 HA ILE A 55 -16.183 -16.126 1.003 1.00 0.00 H new ATOM 0 HB ILE A 55 -13.731 -16.029 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -14.174 -15.457 2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.510 -16.942 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -13.481 -13.658 -0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -14.946 -13.971 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -15.075 -13.679 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.739 -15.489 2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.582 -15.697 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.257 -14.189 1.274 1.00 0.00 H new ATOM 874 N LYS A 56 -16.201 -16.278 -2.282 1.00 0.00 N ATOM 875 CA LYS A 56 -16.942 -16.011 -3.506 1.00 0.00 C ATOM 876 C LYS A 56 -18.413 -16.393 -3.361 1.00 0.00 C ATOM 877 O LYS A 56 -19.303 -15.603 -3.680 1.00 0.00 O ATOM 878 CB LYS A 56 -16.268 -16.819 -4.613 1.00 0.00 C ATOM 879 CG LYS A 56 -17.079 -17.050 -5.869 1.00 0.00 C ATOM 880 CD LYS A 56 -16.277 -17.922 -6.813 1.00 0.00 C ATOM 881 CE LYS A 56 -17.128 -18.547 -7.893 1.00 0.00 C ATOM 882 NZ LYS A 56 -16.424 -19.696 -8.517 1.00 0.00 N ATOM 0 H LYS A 56 -15.371 -16.852 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 56 -16.927 -14.946 -3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.344 -16.312 -4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.988 -17.790 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -18.026 -17.531 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.318 -16.099 -6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.492 -17.324 -7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.784 -18.710 -6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.075 -18.881 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.364 -17.802 -8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.954 -20.015 -9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.468 -19.403 -8.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.356 -20.475 -7.832 1.00 0.00 H new ATOM 896 N SER A 57 -18.656 -17.599 -2.863 1.00 0.00 N ATOM 897 CA SER A 57 -20.013 -18.089 -2.653 1.00 0.00 C ATOM 898 C SER A 57 -20.783 -17.178 -1.703 1.00 0.00 C ATOM 899 O SER A 57 -21.925 -16.802 -1.981 1.00 0.00 O ATOM 900 CB SER A 57 -19.977 -19.515 -2.105 1.00 0.00 C ATOM 901 OG SER A 57 -19.326 -20.392 -3.010 1.00 0.00 O ATOM 0 H SER A 57 -17.926 -18.259 -2.596 1.00 0.00 H new ATOM 0 HA SER A 57 -20.528 -18.089 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.459 -19.527 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.993 -19.864 -1.923 1.00 0.00 H new ATOM 0 HG SER A 57 -18.372 -20.173 -3.048 1.00 0.00 H new ATOM 907 N GLU A 58 -20.150 -16.823 -0.590 1.00 0.00 N ATOM 908 CA GLU A 58 -20.751 -15.934 0.391 1.00 0.00 C ATOM 909 C GLU A 58 -20.998 -14.546 -0.203 1.00 0.00 C ATOM 910 O GLU A 58 -22.085 -13.985 -0.071 1.00 0.00 O ATOM 911 CB GLU A 58 -19.853 -15.829 1.625 1.00 0.00 C ATOM 912 CG GLU A 58 -19.611 -17.159 2.319 1.00 0.00 C ATOM 913 CD GLU A 58 -20.899 -17.885 2.641 1.00 0.00 C ATOM 914 OE1 GLU A 58 -21.719 -17.344 3.411 1.00 0.00 O ATOM 915 OE2 GLU A 58 -21.104 -18.999 2.119 1.00 0.00 O ATOM 0 H GLU A 58 -19.212 -17.142 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 58 -21.714 -16.352 0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.894 -15.403 1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -20.305 -15.136 2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.991 -17.790 1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.053 -16.989 3.240 1.00 0.00 H new ATOM 922 N LEU A 59 -19.991 -14.006 -0.873 1.00 0.00 N ATOM 923 CA LEU A 59 -20.094 -12.689 -1.488 1.00 0.00 C ATOM 924 C LEU A 59 -21.220 -12.644 -2.513 1.00 0.00 C ATOM 925 O LEU A 59 -21.870 -11.612 -2.687 1.00 0.00 O ATOM 926 CB LEU A 59 -18.767 -12.305 -2.145 1.00 0.00 C ATOM 927 CG LEU A 59 -17.656 -11.915 -1.172 1.00 0.00 C ATOM 928 CD1 LEU A 59 -16.364 -11.636 -1.919 1.00 0.00 C ATOM 929 CD2 LEU A 59 -18.071 -10.703 -0.354 1.00 0.00 C ATOM 0 H LEU A 59 -19.088 -14.462 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 59 -20.324 -11.969 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -18.422 -13.143 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -18.943 -11.472 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 59 -17.484 -12.750 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.585 -11.360 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -16.058 -12.529 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -16.520 -10.818 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -17.269 -10.437 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -18.269 -9.864 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -18.973 -10.937 0.212 1.00 0.00 H new ATOM 941 N ASP A 60 -21.453 -13.770 -3.171 1.00 0.00 N ATOM 942 CA ASP A 60 -22.497 -13.873 -4.184 1.00 0.00 C ATOM 943 C ASP A 60 -23.885 -13.962 -3.551 1.00 0.00 C ATOM 944 O ASP A 60 -24.896 -13.704 -4.202 1.00 0.00 O ATOM 945 CB ASP A 60 -22.238 -15.086 -5.083 1.00 0.00 C ATOM 946 CG ASP A 60 -23.359 -15.344 -6.070 1.00 0.00 C ATOM 947 OD1 ASP A 60 -24.087 -16.341 -5.890 1.00 0.00 O ATOM 948 OD2 ASP A 60 -23.519 -14.552 -7.027 1.00 0.00 O ATOM 0 H ASP A 60 -20.929 -14.632 -3.021 1.00 0.00 H new ATOM 0 HA ASP A 60 -22.470 -12.968 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -21.308 -14.933 -5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.100 -15.970 -4.460 1.00 0.00 H new ATOM 953 N LYS A 61 -23.939 -14.315 -2.276 1.00 0.00 N ATOM 954 CA LYS A 61 -25.204 -14.340 -1.564 1.00 0.00 C ATOM 955 C LYS A 61 -25.692 -12.921 -1.315 1.00 0.00 C ATOM 956 O LYS A 61 -26.876 -12.619 -1.472 1.00 0.00 O ATOM 957 CB LYS A 61 -25.067 -15.076 -0.231 1.00 0.00 C ATOM 958 CG LYS A 61 -24.717 -16.545 -0.361 1.00 0.00 C ATOM 959 CD LYS A 61 -24.425 -17.148 1.001 1.00 0.00 C ATOM 960 CE LYS A 61 -24.165 -18.642 0.917 1.00 0.00 C ATOM 961 NZ LYS A 61 -23.772 -19.211 2.238 1.00 0.00 N ATOM 0 H LYS A 61 -23.129 -14.586 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 61 -25.929 -14.871 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -24.299 -14.583 0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -26.004 -14.985 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -25.541 -17.080 -0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -23.849 -16.661 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -23.558 -16.653 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -25.267 -16.963 1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -25.061 -19.147 0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -23.376 -18.833 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -22.768 -19.483 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -23.921 -18.499 2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -24.353 -20.049 2.441 1.00 0.00 H new ATOM 975 N CYS A 62 -24.766 -12.042 -0.958 1.00 0.00 N ATOM 976 CA CYS A 62 -25.107 -10.668 -0.638 1.00 0.00 C ATOM 977 C CYS A 62 -24.990 -9.783 -1.869 1.00 0.00 C ATOM 978 O CYS A 62 -24.026 -9.028 -2.023 1.00 0.00 O ATOM 979 CB CYS A 62 -24.226 -10.131 0.496 1.00 0.00 C ATOM 980 SG CYS A 62 -24.777 -10.587 2.180 1.00 0.00 S ATOM 0 H CYS A 62 -23.772 -12.259 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 62 -26.143 -10.651 -0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -23.209 -10.496 0.351 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -24.188 -9.044 0.424 1.00 0.00 H new ATOM 985 N ASN A 63 -25.964 -9.908 -2.757 1.00 0.00 N ATOM 986 CA ASN A 63 -26.029 -9.087 -3.956 1.00 0.00 C ATOM 987 C ASN A 63 -27.346 -8.327 -3.991 1.00 0.00 C ATOM 988 O ASN A 63 -28.337 -8.795 -4.558 1.00 0.00 O ATOM 989 CB ASN A 63 -25.876 -9.938 -5.223 1.00 0.00 C ATOM 990 CG ASN A 63 -24.472 -10.486 -5.404 1.00 0.00 C ATOM 991 OD1 ASN A 63 -23.489 -9.870 -4.992 1.00 0.00 O ATOM 992 ND2 ASN A 63 -24.370 -11.652 -6.024 1.00 0.00 N ATOM 0 H ASN A 63 -26.728 -10.578 -2.668 1.00 0.00 H new ATOM 0 HA ASN A 63 -25.202 -8.377 -3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -26.582 -10.768 -5.184 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -26.140 -9.336 -6.092 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -23.452 -12.071 -6.175 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -25.209 -12.131 -6.351 1.00 0.00 H new ATOM 999 N GLY A 64 -27.356 -7.174 -3.345 1.00 0.00 N ATOM 1000 CA GLY A 64 -28.548 -6.353 -3.288 1.00 0.00 C ATOM 1001 C GLY A 64 -28.209 -4.883 -3.186 1.00 0.00 C ATOM 1002 O GLY A 64 -27.169 -4.449 -3.681 1.00 0.00 O ATOM 0 H GLY A 64 -26.551 -6.787 -2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -29.152 -6.526 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -29.152 -6.648 -2.430 1.00 0.00 H new ATOM 1006 N ASN A 65 -29.070 -4.123 -2.524 1.00 0.00 N ATOM 1007 CA ASN A 65 -28.880 -2.681 -2.395 1.00 0.00 C ATOM 1008 C ASN A 65 -27.667 -2.372 -1.529 1.00 0.00 C ATOM 1009 O ASN A 65 -26.748 -1.669 -1.951 1.00 0.00 O ATOM 1010 CB ASN A 65 -30.124 -2.015 -1.802 1.00 0.00 C ATOM 1011 CG ASN A 65 -31.359 -2.214 -2.660 1.00 0.00 C ATOM 1012 OD1 ASN A 65 -32.128 -3.155 -2.454 1.00 0.00 O ATOM 1013 ND2 ASN A 65 -31.550 -1.340 -3.632 1.00 0.00 N ATOM 0 H ASN A 65 -29.909 -4.480 -2.066 1.00 0.00 H new ATOM 0 HA ASN A 65 -28.712 -2.279 -3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -30.309 -2.420 -0.807 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -29.938 -0.948 -1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -32.359 -1.430 -4.247 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -30.889 -0.575 -3.768 1.00 0.00 H new ATOM 1020 N ASP A 66 -27.663 -2.911 -0.321 1.00 0.00 N ATOM 1021 CA ASP A 66 -26.546 -2.724 0.600 1.00 0.00 C ATOM 1022 C ASP A 66 -25.547 -3.862 0.461 1.00 0.00 C ATOM 1023 O ASP A 66 -25.008 -4.357 1.452 1.00 0.00 O ATOM 1024 CB ASP A 66 -27.038 -2.643 2.047 1.00 0.00 C ATOM 1025 CG ASP A 66 -27.809 -1.373 2.329 1.00 0.00 C ATOM 1026 OD1 ASP A 66 -29.033 -1.454 2.568 1.00 0.00 O ATOM 1027 OD2 ASP A 66 -27.198 -0.285 2.310 1.00 0.00 O ATOM 0 H ASP A 66 -28.422 -3.484 0.049 1.00 0.00 H new ATOM 0 HA ASP A 66 -26.056 -1.784 0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -27.672 -3.504 2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -26.184 -2.702 2.721 1.00 0.00 H new ATOM 1032 N ALA A 67 -25.291 -4.260 -0.780 1.00 0.00 N ATOM 1033 CA ALA A 67 -24.372 -5.353 -1.058 1.00 0.00 C ATOM 1034 C ALA A 67 -22.987 -5.051 -0.506 1.00 0.00 C ATOM 1035 O ALA A 67 -22.372 -5.903 0.137 1.00 0.00 O ATOM 1036 CB ALA A 67 -24.297 -5.622 -2.554 1.00 0.00 C ATOM 0 H ALA A 67 -25.709 -3.840 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 67 -24.751 -6.247 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -23.605 -6.443 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -25.286 -5.889 -2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -23.946 -4.727 -3.068 1.00 0.00 H new ATOM 1042 N ASP A 68 -22.516 -3.827 -0.734 1.00 0.00 N ATOM 1043 CA ASP A 68 -21.189 -3.418 -0.281 1.00 0.00 C ATOM 1044 C ASP A 68 -21.075 -3.544 1.223 1.00 0.00 C ATOM 1045 O ASP A 68 -20.072 -4.022 1.736 1.00 0.00 O ATOM 1046 CB ASP A 68 -20.888 -1.971 -0.660 1.00 0.00 C ATOM 1047 CG ASP A 68 -19.426 -1.619 -0.450 1.00 0.00 C ATOM 1048 OD1 ASP A 68 -18.641 -1.735 -1.415 1.00 0.00 O ATOM 1049 OD2 ASP A 68 -19.052 -1.228 0.677 1.00 0.00 O ATOM 0 H ASP A 68 -23.034 -3.101 -1.230 1.00 0.00 H new ATOM 0 HA ASP A 68 -20.473 -4.077 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -21.154 -1.807 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -21.511 -1.303 -0.064 1.00 0.00 H new ATOM 1054 N GLN A 69 -22.119 -3.124 1.922 1.00 0.00 N ATOM 1055 CA GLN A 69 -22.098 -3.108 3.370 1.00 0.00 C ATOM 1056 C GLN A 69 -21.870 -4.509 3.922 1.00 0.00 C ATOM 1057 O GLN A 69 -21.061 -4.704 4.832 1.00 0.00 O ATOM 1058 CB GLN A 69 -23.396 -2.530 3.935 1.00 0.00 C ATOM 1059 CG GLN A 69 -23.292 -2.222 5.417 1.00 0.00 C ATOM 1060 CD GLN A 69 -22.213 -1.198 5.702 1.00 0.00 C ATOM 1061 OE1 GLN A 69 -20.978 -1.663 5.800 1.00 0.00 O flip ATOM 1062 NE2 GLN A 69 -22.479 0.001 5.781 1.00 0.00 N flip ATOM 0 H GLN A 69 -22.989 -2.791 1.507 1.00 0.00 H new ATOM 0 HA GLN A 69 -21.272 -2.468 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -23.651 -1.619 3.394 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -24.209 -3.237 3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -24.251 -1.851 5.780 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -23.077 -3.139 5.965 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -23.446 0.315 5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -21.732 0.680 5.928 1.00 0.00 H new ATOM 1071 N GLN A 70 -22.571 -5.478 3.357 1.00 0.00 N ATOM 1072 CA GLN A 70 -22.424 -6.859 3.772 1.00 0.00 C ATOM 1073 C GLN A 70 -21.070 -7.413 3.333 1.00 0.00 C ATOM 1074 O GLN A 70 -20.383 -8.076 4.110 1.00 0.00 O ATOM 1075 CB GLN A 70 -23.558 -7.696 3.193 1.00 0.00 C ATOM 1076 CG GLN A 70 -24.940 -7.167 3.546 1.00 0.00 C ATOM 1077 CD GLN A 70 -25.176 -7.093 5.043 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -24.923 -6.066 5.674 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -25.656 -8.182 5.624 1.00 0.00 N ATOM 0 H GLN A 70 -23.248 -5.331 2.608 1.00 0.00 H new ATOM 0 HA GLN A 70 -22.471 -6.905 4.860 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -23.457 -7.731 2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -23.466 -8.720 3.555 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -25.066 -6.174 3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -25.696 -7.809 3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -25.853 -9.013 5.066 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -25.829 -8.190 6.629 1.00 0.00 H new ATOM 1088 N LYS A 71 -20.679 -7.117 2.095 1.00 0.00 N ATOM 1089 CA LYS A 71 -19.384 -7.554 1.575 1.00 0.00 C ATOM 1090 C LYS A 71 -18.247 -6.968 2.413 1.00 0.00 C ATOM 1091 O LYS A 71 -17.244 -7.628 2.664 1.00 0.00 O ATOM 1092 CB LYS A 71 -19.207 -7.139 0.109 1.00 0.00 C ATOM 1093 CG LYS A 71 -20.238 -7.736 -0.841 1.00 0.00 C ATOM 1094 CD LYS A 71 -20.048 -7.217 -2.260 1.00 0.00 C ATOM 1095 CE LYS A 71 -21.238 -7.546 -3.155 1.00 0.00 C ATOM 1096 NZ LYS A 71 -21.402 -9.006 -3.378 1.00 0.00 N ATOM 0 H LYS A 71 -21.239 -6.578 1.434 1.00 0.00 H new ATOM 0 HA LYS A 71 -19.354 -8.642 1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.256 -6.052 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.211 -7.434 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -20.155 -8.823 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -21.241 -7.491 -0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -19.902 -6.137 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -19.143 -7.651 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -22.147 -7.147 -2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -21.113 -7.048 -4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -22.171 -9.169 -4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.517 -9.401 -3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -21.633 -9.471 -2.477 1.00 0.00 H new ATOM 1110 N THR A 72 -18.417 -5.726 2.842 1.00 0.00 N ATOM 1111 CA THR A 72 -17.425 -5.053 3.663 1.00 0.00 C ATOM 1112 C THR A 72 -17.377 -5.636 5.074 1.00 0.00 C ATOM 1113 O THR A 72 -16.306 -5.753 5.670 1.00 0.00 O ATOM 1114 CB THR A 72 -17.687 -3.533 3.708 1.00 0.00 C ATOM 1115 OG1 THR A 72 -17.489 -2.982 2.399 1.00 0.00 O ATOM 1116 CG2 THR A 72 -16.767 -2.833 4.698 1.00 0.00 C ATOM 0 H THR A 72 -19.240 -5.161 2.632 1.00 0.00 H new ATOM 0 HA THR A 72 -16.451 -5.219 3.203 1.00 0.00 H new ATOM 0 HB THR A 72 -18.714 -3.374 4.036 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.290 -3.133 1.856 1.00 0.00 H new ATOM 0 HG21 THR A 72 -16.982 -1.764 4.701 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.930 -3.239 5.696 1.00 0.00 H new ATOM 0 HG23 THR A 72 -15.729 -2.994 4.406 1.00 0.00 H new ATOM 1124 N THR A 73 -18.526 -6.030 5.598 1.00 0.00 N ATOM 1125 CA THR A 73 -18.567 -6.695 6.889 1.00 0.00 C ATOM 1126 C THR A 73 -17.895 -8.065 6.783 1.00 0.00 C ATOM 1127 O THR A 73 -17.266 -8.549 7.729 1.00 0.00 O ATOM 1128 CB THR A 73 -20.018 -6.850 7.388 1.00 0.00 C ATOM 1129 OG1 THR A 73 -20.675 -5.574 7.375 1.00 0.00 O ATOM 1130 CG2 THR A 73 -20.055 -7.421 8.799 1.00 0.00 C ATOM 0 H THR A 73 -19.435 -5.902 5.154 1.00 0.00 H new ATOM 0 HA THR A 73 -18.028 -6.082 7.611 1.00 0.00 H new ATOM 0 HB THR A 73 -20.534 -7.540 6.720 1.00 0.00 H new ATOM 0 HG1 THR A 73 -20.816 -5.288 6.448 1.00 0.00 H new ATOM 0 HG21 THR A 73 -21.091 -7.519 9.125 1.00 0.00 H new ATOM 0 HG22 THR A 73 -19.577 -8.401 8.808 1.00 0.00 H new ATOM 0 HG23 THR A 73 -19.524 -6.752 9.476 1.00 0.00 H new ATOM 1138 N PHE A 74 -18.007 -8.665 5.602 1.00 0.00 N ATOM 1139 CA PHE A 74 -17.379 -9.946 5.323 1.00 0.00 C ATOM 1140 C PHE A 74 -15.859 -9.792 5.258 1.00 0.00 C ATOM 1141 O PHE A 74 -15.120 -10.723 5.575 1.00 0.00 O ATOM 1142 CB PHE A 74 -17.929 -10.517 4.013 1.00 0.00 C ATOM 1143 CG PHE A 74 -17.612 -11.968 3.792 1.00 0.00 C ATOM 1144 CD1 PHE A 74 -17.189 -12.413 2.553 1.00 0.00 C ATOM 1145 CD2 PHE A 74 -17.747 -12.885 4.822 1.00 0.00 C ATOM 1146 CE1 PHE A 74 -16.906 -13.745 2.341 1.00 0.00 C ATOM 1147 CE2 PHE A 74 -17.463 -14.222 4.616 1.00 0.00 C ATOM 1148 CZ PHE A 74 -17.042 -14.653 3.372 1.00 0.00 C ATOM 0 H PHE A 74 -18.532 -8.278 4.818 1.00 0.00 H new ATOM 0 HA PHE A 74 -17.611 -10.642 6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -19.011 -10.387 3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -17.528 -9.938 3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -17.079 -11.708 1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -18.077 -12.552 5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -16.578 -14.079 1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -17.570 -14.929 5.426 1.00 0.00 H new ATOM 0 HZ PHE A 74 -16.820 -15.697 3.207 1.00 0.00 H new ATOM 1158 N LYS A 75 -15.394 -8.605 4.864 1.00 0.00 N ATOM 1159 CA LYS A 75 -13.969 -8.290 4.884 1.00 0.00 C ATOM 1160 C LYS A 75 -13.426 -8.431 6.303 1.00 0.00 C ATOM 1161 O LYS A 75 -12.364 -9.013 6.526 1.00 0.00 O ATOM 1162 CB LYS A 75 -13.737 -6.863 4.382 1.00 0.00 C ATOM 1163 CG LYS A 75 -14.233 -6.620 2.969 1.00 0.00 C ATOM 1164 CD LYS A 75 -14.206 -5.141 2.615 1.00 0.00 C ATOM 1165 CE LYS A 75 -14.767 -4.892 1.220 1.00 0.00 C ATOM 1166 NZ LYS A 75 -15.067 -3.455 0.970 1.00 0.00 N ATOM 0 H LYS A 75 -15.987 -7.846 4.527 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.446 -8.986 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.235 -6.166 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.671 -6.642 4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.614 -7.175 2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.249 -7.001 2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.786 -4.580 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.182 -4.771 2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.052 -5.244 0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.677 -5.477 1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.200 -3.300 -0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.935 -3.188 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.276 -2.871 1.309 1.00 0.00 H new ATOM 1180 N GLN A 76 -14.190 -7.917 7.259 1.00 0.00 N ATOM 1181 CA GLN A 76 -13.821 -7.981 8.666 1.00 0.00 C ATOM 1182 C GLN A 76 -13.955 -9.409 9.182 1.00 0.00 C ATOM 1183 O GLN A 76 -13.301 -9.801 10.151 1.00 0.00 O ATOM 1184 CB GLN A 76 -14.716 -7.051 9.482 1.00 0.00 C ATOM 1185 CG GLN A 76 -13.955 -5.999 10.270 1.00 0.00 C ATOM 1186 CD GLN A 76 -14.873 -5.099 11.075 1.00 0.00 C ATOM 1187 OE1 GLN A 76 -15.202 -5.397 12.224 1.00 0.00 O ATOM 1188 NE2 GLN A 76 -15.291 -3.990 10.481 1.00 0.00 N ATOM 0 H GLN A 76 -15.078 -7.447 7.082 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.784 -7.663 8.771 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.414 -6.553 8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -15.310 -7.649 10.173 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.253 -6.491 10.943 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.366 -5.391 9.583 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.995 -3.780 9.528 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -15.908 -3.347 10.977 1.00 0.00 H new ATOM 1197 N THR A 77 -14.808 -10.177 8.520 1.00 0.00 N ATOM 1198 CA THR A 77 -15.022 -11.566 8.871 1.00 0.00 C ATOM 1199 C THR A 77 -13.800 -12.407 8.500 1.00 0.00 C ATOM 1200 O THR A 77 -13.274 -13.148 9.330 1.00 0.00 O ATOM 1201 CB THR A 77 -16.271 -12.121 8.159 1.00 0.00 C ATOM 1202 OG1 THR A 77 -17.403 -11.285 8.441 1.00 0.00 O ATOM 1203 CG2 THR A 77 -16.568 -13.548 8.597 1.00 0.00 C ATOM 0 H THR A 77 -15.366 -9.854 7.730 1.00 0.00 H new ATOM 0 HA THR A 77 -15.177 -11.621 9.948 1.00 0.00 H new ATOM 0 HB THR A 77 -16.075 -12.127 7.087 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.204 -10.363 8.174 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.455 -13.911 8.077 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.719 -14.187 8.356 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.744 -13.569 9.673 1.00 0.00 H new ATOM 1211 N VAL A 78 -13.333 -12.267 7.262 1.00 0.00 N ATOM 1212 CA VAL A 78 -12.180 -13.024 6.785 1.00 0.00 C ATOM 1213 C VAL A 78 -10.925 -12.662 7.575 1.00 0.00 C ATOM 1214 O VAL A 78 -10.062 -13.512 7.802 1.00 0.00 O ATOM 1215 CB VAL A 78 -11.939 -12.786 5.279 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -10.769 -13.616 4.773 1.00 0.00 C ATOM 1217 CG2 VAL A 78 -13.197 -13.102 4.490 1.00 0.00 C ATOM 0 H VAL A 78 -13.736 -11.635 6.570 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.399 -14.081 6.937 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.689 -11.735 5.136 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.623 -13.428 3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.866 -13.341 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.979 -14.674 4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.014 -12.930 3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.472 -14.145 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.009 -12.458 4.827 1.00 0.00 H new ATOM 1227 N GLN A 79 -10.840 -11.401 7.997 1.00 0.00 N ATOM 1228 CA GLN A 79 -9.743 -10.930 8.833 1.00 0.00 C ATOM 1229 C GLN A 79 -9.560 -11.828 10.056 1.00 0.00 C ATOM 1230 O GLN A 79 -8.472 -12.342 10.310 1.00 0.00 O ATOM 1231 CB GLN A 79 -10.028 -9.499 9.279 1.00 0.00 C ATOM 1232 CG GLN A 79 -8.961 -8.503 8.874 1.00 0.00 C ATOM 1233 CD GLN A 79 -7.658 -8.688 9.637 1.00 0.00 C ATOM 1234 OE1 GLN A 79 -7.652 -9.145 10.777 1.00 0.00 O ATOM 1235 NE2 GLN A 79 -6.549 -8.318 9.016 1.00 0.00 N ATOM 0 H GLN A 79 -11.527 -10.682 7.769 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.822 -10.960 8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -10.983 -9.182 8.861 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.134 -9.482 10.364 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.767 -8.600 7.806 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.333 -7.492 9.040 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.596 -7.943 8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.648 -8.408 9.485 1.00 0.00 H new ATOM 1244 N GLY A 80 -10.646 -12.035 10.791 1.00 0.00 N ATOM 1245 CA GLY A 80 -10.591 -12.850 11.988 1.00 0.00 C ATOM 1246 C GLY A 80 -10.605 -14.332 11.669 1.00 0.00 C ATOM 1247 O GLY A 80 -10.161 -15.155 12.468 1.00 0.00 O ATOM 0 H GLY A 80 -11.567 -11.651 10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.688 -12.609 12.549 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.439 -12.609 12.629 1.00 0.00 H new ATOM 1251 N ALA A 81 -11.116 -14.662 10.492 1.00 0.00 N ATOM 1252 CA ALA A 81 -11.209 -16.044 10.052 1.00 0.00 C ATOM 1253 C ALA A 81 -9.827 -16.632 9.777 1.00 0.00 C ATOM 1254 O ALA A 81 -9.491 -17.706 10.271 1.00 0.00 O ATOM 1255 CB ALA A 81 -12.087 -16.141 8.813 1.00 0.00 C ATOM 0 H ALA A 81 -11.475 -13.984 9.820 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.664 -16.626 10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.150 -17.181 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.086 -15.772 9.045 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.655 -15.540 8.013 1.00 0.00 H new ATOM 1261 N LEU A 82 -9.021 -15.913 9.005 1.00 0.00 N ATOM 1262 CA LEU A 82 -7.689 -16.391 8.646 1.00 0.00 C ATOM 1263 C LEU A 82 -6.698 -16.168 9.774 1.00 0.00 C ATOM 1264 O LEU A 82 -5.554 -16.614 9.714 1.00 0.00 O ATOM 1265 CB LEU A 82 -7.191 -15.710 7.370 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.997 -16.020 6.109 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -7.427 -15.268 4.921 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -8.005 -17.514 5.834 1.00 0.00 C ATOM 0 H LEU A 82 -9.263 -15.002 8.617 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.766 -17.463 8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.194 -14.632 7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.155 -16.004 7.201 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.025 -15.694 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.011 -15.499 4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.469 -14.196 5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.391 -15.568 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.584 -17.715 4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.982 -17.864 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.455 -18.037 6.678 1.00 0.00 H new ATOM 1280 N SER A 83 -7.158 -15.508 10.814 1.00 0.00 N ATOM 1281 CA SER A 83 -6.325 -15.237 11.976 1.00 0.00 C ATOM 1282 C SER A 83 -6.142 -16.515 12.790 1.00 0.00 C ATOM 1283 O SER A 83 -5.156 -16.676 13.512 1.00 0.00 O ATOM 1284 CB SER A 83 -6.953 -14.131 12.834 1.00 0.00 C ATOM 1285 OG SER A 83 -6.138 -13.805 13.952 1.00 0.00 O ATOM 0 H SER A 83 -8.109 -15.145 10.883 1.00 0.00 H new ATOM 0 HA SER A 83 -5.346 -14.893 11.642 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.107 -13.241 12.224 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.935 -14.453 13.181 1.00 0.00 H new ATOM 0 HG SER A 83 -6.568 -13.096 14.475 1.00 0.00 H new ATOM 1291 N GLY A 84 -7.089 -17.434 12.647 1.00 0.00 N ATOM 1292 CA GLY A 84 -7.011 -18.699 13.348 1.00 0.00 C ATOM 1293 C GLY A 84 -6.551 -19.823 12.443 1.00 0.00 C ATOM 1294 O GLY A 84 -6.522 -20.988 12.847 1.00 0.00 O ATOM 0 H GLY A 84 -7.912 -17.324 12.055 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.323 -18.606 14.188 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.989 -18.945 13.762 1.00 0.00 H new ATOM 1298 N GLY A 85 -6.192 -19.481 11.212 1.00 0.00 N ATOM 1299 CA GLY A 85 -5.761 -20.480 10.264 1.00 0.00 C ATOM 1300 C GLY A 85 -6.794 -20.708 9.182 1.00 0.00 C ATOM 1301 O GLY A 85 -7.993 -20.592 9.423 1.00 0.00 O ATOM 0 H GLY A 85 -6.193 -18.525 10.856 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.821 -20.168 9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.568 -21.417 10.786 1.00 0.00 H new ATOM 1305 N ILE A 86 -6.323 -21.031 7.992 1.00 0.00 N ATOM 1306 CA ILE A 86 -7.201 -21.272 6.852 1.00 0.00 C ATOM 1307 C ILE A 86 -7.761 -22.697 6.895 1.00 0.00 C ATOM 1308 O ILE A 86 -8.624 -23.066 6.103 1.00 0.00 O ATOM 1309 CB ILE A 86 -6.432 -21.051 5.534 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -7.381 -21.027 4.332 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -5.376 -22.133 5.368 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.689 -20.681 3.034 1.00 0.00 C ATOM 0 H ILE A 86 -5.330 -21.134 7.785 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.032 -20.569 6.903 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.941 -20.079 5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.857 -22.003 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.174 -20.303 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.835 -21.973 4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.678 -22.092 6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.857 -23.111 5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.417 -20.681 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.236 -19.693 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.914 -21.419 2.827 1.00 0.00 H new ATOM 1324 N ASP A 87 -7.266 -23.488 7.840 1.00 0.00 N ATOM 1325 CA ASP A 87 -7.667 -24.884 7.955 1.00 0.00 C ATOM 1326 C ASP A 87 -9.071 -24.999 8.536 1.00 0.00 C ATOM 1327 O ASP A 87 -9.849 -25.869 8.147 1.00 0.00 O ATOM 1328 CB ASP A 87 -6.679 -25.650 8.831 1.00 0.00 C ATOM 1329 CG ASP A 87 -6.892 -27.145 8.751 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -7.327 -27.751 9.751 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -6.628 -27.721 7.679 1.00 0.00 O ATOM 0 H ASP A 87 -6.586 -23.186 8.538 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.668 -25.319 6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.661 -25.412 8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.783 -25.324 9.866 1.00 0.00 H new ATOM 1336 N GLY A 88 -9.389 -24.113 9.468 1.00 0.00 N ATOM 1337 CA GLY A 88 -10.714 -24.093 10.053 1.00 0.00 C ATOM 1338 C GLY A 88 -11.603 -23.068 9.386 1.00 0.00 C ATOM 1339 O GLY A 88 -12.661 -22.712 9.906 1.00 0.00 O ATOM 0 H GLY A 88 -8.751 -23.405 9.831 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.166 -25.081 9.964 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.639 -23.872 11.118 1.00 0.00 H new ATOM 1343 N PHE A 89 -11.169 -22.603 8.220 1.00 0.00 N ATOM 1344 CA PHE A 89 -11.894 -21.603 7.469 1.00 0.00 C ATOM 1345 C PHE A 89 -13.033 -22.259 6.706 1.00 0.00 C ATOM 1346 O PHE A 89 -12.924 -23.398 6.247 1.00 0.00 O ATOM 1347 CB PHE A 89 -10.945 -20.880 6.502 1.00 0.00 C ATOM 1348 CG PHE A 89 -11.574 -19.736 5.747 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -12.209 -19.948 4.531 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -11.530 -18.447 6.255 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -12.788 -18.899 3.841 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -12.105 -17.394 5.567 1.00 0.00 C ATOM 1353 CZ PHE A 89 -12.734 -17.621 4.361 1.00 0.00 C ATOM 0 H PHE A 89 -10.305 -22.913 7.775 1.00 0.00 H new ATOM 0 HA PHE A 89 -12.311 -20.868 8.158 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -10.092 -20.502 7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.558 -21.603 5.784 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.251 -20.945 4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -11.041 -18.263 7.200 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.281 -19.079 2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -12.061 -16.395 5.974 1.00 0.00 H new ATOM 0 HZ PHE A 89 -13.184 -16.800 3.823 1.00 0.00 H new ATOM 1363 N GLY A 90 -14.130 -21.546 6.602 1.00 0.00 N ATOM 1364 CA GLY A 90 -15.265 -22.033 5.855 1.00 0.00 C ATOM 1365 C GLY A 90 -16.566 -21.588 6.470 1.00 0.00 C ATOM 1366 O GLY A 90 -16.612 -20.560 7.146 1.00 0.00 O ATOM 0 H GLY A 90 -14.260 -20.627 7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -15.206 -21.674 4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.235 -23.122 5.815 1.00 0.00 H new ATOM 1370 N SER A 91 -17.612 -22.376 6.272 1.00 0.00 N ATOM 1371 CA SER A 91 -18.939 -22.041 6.777 1.00 0.00 C ATOM 1372 C SER A 91 -19.011 -22.121 8.303 1.00 0.00 C ATOM 1373 O SER A 91 -20.060 -21.881 8.902 1.00 0.00 O ATOM 1374 CB SER A 91 -19.978 -22.964 6.137 1.00 0.00 C ATOM 1375 OG SER A 91 -19.530 -24.312 6.128 1.00 0.00 O ATOM 0 H SER A 91 -17.569 -23.258 5.762 1.00 0.00 H new ATOM 0 HA SER A 91 -19.153 -21.007 6.505 1.00 0.00 H new ATOM 0 HB2 SER A 91 -20.918 -22.894 6.685 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.179 -22.638 5.117 1.00 0.00 H new ATOM 0 HG SER A 91 -19.053 -24.493 5.291 1.00 0.00 H new ATOM 1381 N ASN A 92 -17.887 -22.439 8.928 1.00 0.00 N ATOM 1382 CA ASN A 92 -17.814 -22.494 10.375 1.00 0.00 C ATOM 1383 C ASN A 92 -17.564 -21.107 10.946 1.00 0.00 C ATOM 1384 O ASN A 92 -18.225 -20.685 11.891 1.00 0.00 O ATOM 1385 CB ASN A 92 -16.696 -23.442 10.820 1.00 0.00 C ATOM 1386 CG ASN A 92 -16.632 -23.601 12.330 1.00 0.00 C ATOM 1387 OD1 ASN A 92 -17.650 -23.528 13.016 1.00 0.00 O ATOM 1388 ND2 ASN A 92 -15.436 -23.813 12.858 1.00 0.00 N ATOM 0 H ASN A 92 -17.013 -22.663 8.452 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.767 -22.868 10.750 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.849 -24.419 10.362 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.740 -23.066 10.457 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.336 -23.922 13.867 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.615 -23.867 12.255 1.00 0.00 H new ATOM 1395 N ASN A 93 -16.624 -20.386 10.350 1.00 0.00 N ATOM 1396 CA ASN A 93 -16.174 -19.120 10.918 1.00 0.00 C ATOM 1397 C ASN A 93 -16.350 -17.952 9.948 1.00 0.00 C ATOM 1398 O ASN A 93 -16.253 -16.790 10.345 1.00 0.00 O ATOM 1399 CB ASN A 93 -14.706 -19.230 11.360 1.00 0.00 C ATOM 1400 CG ASN A 93 -13.733 -19.416 10.206 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -14.086 -19.925 9.139 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -12.489 -19.022 10.424 1.00 0.00 N ATOM 0 H ASN A 93 -16.161 -20.652 9.481 1.00 0.00 H new ATOM 0 HA ASN A 93 -16.800 -18.913 11.786 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.434 -18.331 11.912 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.605 -20.069 12.048 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -11.783 -19.135 9.696 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.236 -18.605 11.320 1.00 0.00 H new ATOM 1409 N ALA A 94 -16.620 -18.249 8.685 1.00 0.00 N ATOM 1410 CA ALA A 94 -16.795 -17.208 7.682 1.00 0.00 C ATOM 1411 C ALA A 94 -18.054 -17.448 6.860 1.00 0.00 C ATOM 1412 O ALA A 94 -18.080 -18.303 5.975 1.00 0.00 O ATOM 1413 CB ALA A 94 -15.572 -17.131 6.779 1.00 0.00 C ATOM 0 H ALA A 94 -16.723 -19.200 8.331 1.00 0.00 H new ATOM 0 HA ALA A 94 -16.907 -16.254 8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.718 -16.348 6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -14.691 -16.902 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.430 -18.088 6.276 1.00 0.00 H new ATOM 1419 N VAL A 95 -19.100 -16.702 7.170 1.00 0.00 N ATOM 1420 CA VAL A 95 -20.370 -16.830 6.470 1.00 0.00 C ATOM 1421 C VAL A 95 -21.002 -15.472 6.240 1.00 0.00 C ATOM 1422 O VAL A 95 -20.832 -14.551 7.043 1.00 0.00 O ATOM 1423 CB VAL A 95 -21.382 -17.706 7.247 1.00 0.00 C ATOM 1424 CG1 VAL A 95 -21.044 -19.182 7.113 1.00 0.00 C ATOM 1425 CG2 VAL A 95 -21.436 -17.305 8.716 1.00 0.00 C ATOM 0 H VAL A 95 -19.096 -15.996 7.907 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.142 -17.309 5.518 1.00 0.00 H new ATOM 0 HB VAL A 95 -22.366 -17.540 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.771 -19.774 7.669 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.071 -19.468 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.046 -19.365 7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -22.155 -17.936 9.239 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -20.450 -17.430 9.164 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -21.742 -16.262 8.797 1.00 0.00 H new ATOM 1435 N THR A 96 -21.728 -15.345 5.145 1.00 0.00 N ATOM 1436 CA THR A 96 -22.516 -14.153 4.907 1.00 0.00 C ATOM 1437 C THR A 96 -23.939 -14.340 5.403 1.00 0.00 C ATOM 1438 O THR A 96 -24.704 -15.142 4.860 1.00 0.00 O ATOM 1439 CB THR A 96 -22.549 -13.760 3.423 1.00 0.00 C ATOM 1440 OG1 THR A 96 -22.690 -14.928 2.601 1.00 0.00 O ATOM 1441 CG2 THR A 96 -21.303 -12.980 3.036 1.00 0.00 C ATOM 0 H THR A 96 -21.788 -16.050 4.410 1.00 0.00 H new ATOM 0 HA THR A 96 -22.033 -13.349 5.461 1.00 0.00 H new ATOM 0 HB THR A 96 -23.412 -13.114 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 96 -22.644 -14.671 1.656 1.00 0.00 H new ATOM 0 HG21 THR A 96 -21.353 -12.715 1.980 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.241 -12.072 3.636 1.00 0.00 H new ATOM 0 HG23 THR A 96 -20.420 -13.593 3.214 1.00 0.00 H new ATOM 1449 N THR A 97 -24.286 -13.613 6.447 1.00 0.00 N ATOM 1450 CA THR A 97 -25.634 -13.631 6.978 1.00 0.00 C ATOM 1451 C THR A 97 -26.551 -12.731 6.150 1.00 0.00 C ATOM 1452 O THR A 97 -27.262 -11.881 6.687 1.00 0.00 O ATOM 1453 CB THR A 97 -25.647 -13.186 8.453 1.00 0.00 C ATOM 1454 OG1 THR A 97 -24.859 -12.000 8.611 1.00 0.00 O ATOM 1455 CG2 THR A 97 -25.107 -14.287 9.353 1.00 0.00 C ATOM 0 H THR A 97 -23.646 -12.997 6.948 1.00 0.00 H new ATOM 0 HA THR A 97 -26.004 -14.655 6.921 1.00 0.00 H new ATOM 0 HB THR A 97 -26.677 -12.978 8.741 1.00 0.00 H new ATOM 0 HG1 THR A 97 -24.873 -11.721 9.550 1.00 0.00 H new ATOM 0 HG21 THR A 97 -25.125 -13.951 10.390 1.00 0.00 H new ATOM 0 HG22 THR A 97 -25.726 -15.178 9.249 1.00 0.00 H new ATOM 0 HG23 THR A 97 -24.082 -14.522 9.066 1.00 0.00 H new ATOM 1463 N CYS A 98 -26.524 -12.926 4.833 1.00 0.00 N ATOM 1464 CA CYS A 98 -27.370 -12.165 3.923 1.00 0.00 C ATOM 1465 C CYS A 98 -28.837 -12.423 4.245 1.00 0.00 C ATOM 1466 O CYS A 98 -29.668 -11.513 4.200 1.00 0.00 O ATOM 1467 CB CYS A 98 -27.071 -12.557 2.477 1.00 0.00 C ATOM 1468 SG CYS A 98 -25.298 -12.543 2.062 1.00 0.00 S ATOM 0 H CYS A 98 -25.922 -13.608 4.373 1.00 0.00 H new ATOM 0 HA CYS A 98 -27.161 -11.102 4.047 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -27.470 -13.554 2.291 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -27.596 -11.874 1.809 1.00 0.00 H new