USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=23 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 70 GLN : amide:sc= -0.0852 X(o=-0.065,f=-0.076) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.02 USER MOD Set 2.1: A 17 SER OG : rot 73:sc= 0.189 USER MOD Set 2.2: A 20 GLN : amide:sc= -0.722 K(o=-0.53,f=-6.5!) USER MOD Single : A 7 SER OG : rot 22:sc= 0.226 USER MOD Single : A 8 LYS NZ :NH3+ -152:sc= 1.26 (180deg=1.23) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 76:sc= 0.572 USER MOD Single : A 23 HIS :FLIP no HE2:sc= -2.03 F(o=-2.9!,f=-2) USER MOD Single : A 28 LYS NZ :NH3+ -146:sc= 2.46 (180deg=2.21) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= -1.4! (180deg=-2.75!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0.513 USER MOD Single : A 46 SER OG : rot 87:sc= 0.677 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.04) USER MOD Single : A 49 LYS NZ :NH3+ -131:sc= 0.849 (180deg=0.0633) USER MOD Single : A 50 THR OG1 : rot 89:sc= 1.35 USER MOD Single : A 54 HIS : no HD1:sc= 0.699 K(o=0.7,f=-5.3!) USER MOD Single : A 56 LYS NZ :NH3+ -143:sc= 1.17 (180deg=0.606) USER MOD Single : A 57 SER OG : rot 73:sc= 1.08 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.129 K(o=0.13,f=-0.39) USER MOD Single : A 65 ASN : amide:sc=-0.00206 X(o=-0.0021,f=-0.051) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.598 F(o=-1.5,f=-0.6) USER MOD Single : A 71 LYS NZ :NH3+ -151:sc= 0.182 (180deg=0.0431) USER MOD Single : A 72 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 73 THR OG1 : rot 71:sc= 0.368 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.626 X(o=-0.63,f=-0.45) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0.636 K(o=0.64,f=-0.92) USER MOD Single : A 83 SER OG : rot -9:sc= 0.432 USER MOD Single : A 91 SER OG : rot 180:sc= 0.00629 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= 0.132 K(o=0.13,f=-12!) USER MOD Single : A 96 THR OG1 : rot 170:sc= 0.332 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 7 5.770 -11.293 -6.360 1.00 0.00 N ATOM 78 CA SER A 7 5.330 -11.587 -5.011 1.00 0.00 C ATOM 79 C SER A 7 4.561 -12.902 -4.982 1.00 0.00 C ATOM 80 O SER A 7 4.213 -13.444 -6.035 1.00 0.00 O ATOM 81 CB SER A 7 4.458 -10.435 -4.512 1.00 0.00 C ATOM 82 OG SER A 7 5.113 -9.192 -4.709 1.00 0.00 O ATOM 0 HA SER A 7 6.194 -11.692 -4.355 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.505 -10.438 -5.041 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.236 -10.572 -3.454 1.00 0.00 H new ATOM 0 HG SER A 7 5.791 -9.287 -5.410 1.00 0.00 H new ATOM 88 N LYS A 8 4.302 -13.409 -3.782 1.00 0.00 N ATOM 89 CA LYS A 8 3.561 -14.656 -3.613 1.00 0.00 C ATOM 90 C LYS A 8 2.214 -14.582 -4.319 1.00 0.00 C ATOM 91 O LYS A 8 1.819 -15.513 -5.018 1.00 0.00 O ATOM 92 CB LYS A 8 3.350 -14.958 -2.129 1.00 0.00 C ATOM 93 CG LYS A 8 4.638 -15.159 -1.355 1.00 0.00 C ATOM 94 CD LYS A 8 4.363 -15.361 0.126 1.00 0.00 C ATOM 95 CE LYS A 8 5.647 -15.552 0.913 1.00 0.00 C ATOM 96 NZ LYS A 8 5.395 -15.655 2.374 1.00 0.00 N ATOM 0 H LYS A 8 4.595 -12.974 -2.907 1.00 0.00 H new ATOM 0 HA LYS A 8 4.148 -15.459 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.790 -14.139 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.737 -15.854 -2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.172 -16.024 -1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.287 -14.294 -1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.821 -14.500 0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.720 -16.231 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.153 -16.454 0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.319 -14.716 0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.229 -15.316 2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.570 -15.074 2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.210 -16.647 2.625 1.00 0.00 H new ATOM 110 N GLU A 9 1.525 -13.458 -4.152 1.00 0.00 N ATOM 111 CA GLU A 9 0.237 -13.248 -4.804 1.00 0.00 C ATOM 112 C GLU A 9 0.393 -13.259 -6.318 1.00 0.00 C ATOM 113 O GLU A 9 -0.457 -13.780 -7.032 1.00 0.00 O ATOM 114 CB GLU A 9 -0.395 -11.931 -4.342 1.00 0.00 C ATOM 115 CG GLU A 9 0.491 -10.712 -4.546 1.00 0.00 C ATOM 116 CD GLU A 9 -0.163 -9.432 -4.069 1.00 0.00 C ATOM 117 OE1 GLU A 9 -1.001 -8.878 -4.815 1.00 0.00 O ATOM 118 OE2 GLU A 9 0.155 -8.979 -2.952 1.00 0.00 O ATOM 0 H GLU A 9 1.836 -12.679 -3.571 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.425 -14.066 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.331 -11.781 -4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.645 -12.012 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.430 -10.857 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.736 -10.618 -5.604 1.00 0.00 H new ATOM 125 N GLU A 10 1.510 -12.727 -6.796 1.00 0.00 N ATOM 126 CA GLU A 10 1.774 -12.633 -8.222 1.00 0.00 C ATOM 127 C GLU A 10 2.070 -13.998 -8.827 1.00 0.00 C ATOM 128 O GLU A 10 2.026 -14.165 -10.042 1.00 0.00 O ATOM 129 CB GLU A 10 2.949 -11.689 -8.460 1.00 0.00 C ATOM 130 CG GLU A 10 2.549 -10.348 -9.048 1.00 0.00 C ATOM 131 CD GLU A 10 1.927 -10.488 -10.416 1.00 0.00 C ATOM 132 OE1 GLU A 10 2.648 -10.868 -11.359 1.00 0.00 O ATOM 133 OE2 GLU A 10 0.719 -10.223 -10.552 1.00 0.00 O ATOM 0 H GLU A 10 2.254 -12.351 -6.208 1.00 0.00 H new ATOM 0 HA GLU A 10 0.881 -12.242 -8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.465 -11.521 -7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.660 -12.171 -9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.844 -9.856 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.427 -9.706 -9.114 1.00 0.00 H new ATOM 140 N LEU A 11 2.388 -14.963 -7.981 1.00 0.00 N ATOM 141 CA LEU A 11 2.637 -16.323 -8.436 1.00 0.00 C ATOM 142 C LEU A 11 1.400 -17.180 -8.215 1.00 0.00 C ATOM 143 O LEU A 11 1.002 -17.958 -9.081 1.00 0.00 O ATOM 144 CB LEU A 11 3.824 -16.927 -7.683 1.00 0.00 C ATOM 145 CG LEU A 11 5.135 -16.148 -7.789 1.00 0.00 C ATOM 146 CD1 LEU A 11 6.196 -16.770 -6.899 1.00 0.00 C ATOM 147 CD2 LEU A 11 5.613 -16.104 -9.232 1.00 0.00 C ATOM 0 H LEU A 11 2.480 -14.831 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 11 2.871 -16.296 -9.500 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.557 -17.014 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.991 -17.938 -8.054 1.00 0.00 H new ATOM 0 HG LEU A 11 4.957 -15.127 -7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.123 -16.203 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.857 -16.754 -5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.371 -17.801 -7.207 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.547 -15.546 -9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.775 -17.120 -9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.860 -15.615 -9.850 1.00 0.00 H new ATOM 159 N LEU A 12 0.793 -17.018 -7.047 1.00 0.00 N ATOM 160 CA LEU A 12 -0.390 -17.776 -6.680 1.00 0.00 C ATOM 161 C LEU A 12 -1.557 -17.441 -7.597 1.00 0.00 C ATOM 162 O LEU A 12 -2.299 -18.328 -8.012 1.00 0.00 O ATOM 163 CB LEU A 12 -0.767 -17.489 -5.227 1.00 0.00 C ATOM 164 CG LEU A 12 -2.002 -18.230 -4.716 1.00 0.00 C ATOM 165 CD1 LEU A 12 -1.766 -19.733 -4.697 1.00 0.00 C ATOM 166 CD2 LEU A 12 -2.383 -17.728 -3.336 1.00 0.00 C ATOM 0 H LEU A 12 1.106 -16.361 -6.333 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.163 -18.837 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.080 -17.746 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.935 -16.418 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.828 -18.030 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.660 -20.237 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.543 -20.079 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.925 -19.961 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.264 -18.264 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.556 -17.897 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.603 -16.662 -3.385 1.00 0.00 H new ATOM 178 N ARG A 13 -1.705 -16.157 -7.927 1.00 0.00 N ATOM 179 CA ARG A 13 -2.812 -15.706 -8.765 1.00 0.00 C ATOM 180 C ARG A 13 -2.751 -16.379 -10.133 1.00 0.00 C ATOM 181 O ARG A 13 -3.778 -16.628 -10.753 1.00 0.00 O ATOM 182 CB ARG A 13 -2.801 -14.172 -8.908 1.00 0.00 C ATOM 183 CG ARG A 13 -1.813 -13.633 -9.935 1.00 0.00 C ATOM 184 CD ARG A 13 -1.504 -12.159 -9.710 1.00 0.00 C ATOM 185 NE ARG A 13 -2.708 -11.334 -9.588 1.00 0.00 N ATOM 186 CZ ARG A 13 -2.690 -10.008 -9.423 1.00 0.00 C ATOM 187 NH1 ARG A 13 -1.546 -9.336 -9.494 1.00 0.00 N ATOM 188 NH2 ARG A 13 -3.828 -9.352 -9.234 1.00 0.00 N ATOM 0 H ARG A 13 -1.073 -15.415 -7.627 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.747 -15.991 -8.283 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.803 -13.839 -9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.571 -13.732 -7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.889 -14.209 -9.886 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.221 -13.769 -10.937 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.905 -12.053 -8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.900 -11.790 -10.538 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.615 -11.799 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.673 -9.832 -9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.540 -8.324 -9.367 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.712 -9.860 -9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.818 -8.340 -9.108 1.00 0.00 H new ATOM 202 N GLU A 14 -1.545 -16.709 -10.578 1.00 0.00 N ATOM 203 CA GLU A 14 -1.364 -17.363 -11.869 1.00 0.00 C ATOM 204 C GLU A 14 -1.889 -18.797 -11.831 1.00 0.00 C ATOM 205 O GLU A 14 -2.391 -19.314 -12.828 1.00 0.00 O ATOM 206 CB GLU A 14 0.113 -17.371 -12.267 1.00 0.00 C ATOM 207 CG GLU A 14 0.787 -16.019 -12.129 1.00 0.00 C ATOM 208 CD GLU A 14 2.087 -15.933 -12.898 1.00 0.00 C ATOM 209 OE1 GLU A 14 2.051 -15.549 -14.088 1.00 0.00 O ATOM 210 OE2 GLU A 14 3.150 -16.241 -12.325 1.00 0.00 O ATOM 0 H GLU A 14 -0.680 -16.535 -10.066 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.931 -16.799 -12.609 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.643 -18.096 -11.650 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.200 -17.707 -13.300 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.109 -15.242 -12.482 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.979 -15.820 -11.075 1.00 0.00 H new ATOM 217 N LYS A 15 -1.770 -19.426 -10.668 1.00 0.00 N ATOM 218 CA LYS A 15 -2.176 -20.812 -10.489 1.00 0.00 C ATOM 219 C LYS A 15 -3.665 -20.924 -10.161 1.00 0.00 C ATOM 220 O LYS A 15 -4.195 -22.027 -10.009 1.00 0.00 O ATOM 221 CB LYS A 15 -1.357 -21.420 -9.361 1.00 0.00 C ATOM 222 CG LYS A 15 0.135 -21.206 -9.525 1.00 0.00 C ATOM 223 CD LYS A 15 0.883 -21.598 -8.270 1.00 0.00 C ATOM 224 CE LYS A 15 2.386 -21.487 -8.459 1.00 0.00 C ATOM 225 NZ LYS A 15 3.141 -21.980 -7.279 1.00 0.00 N ATOM 0 H LYS A 15 -1.391 -18.991 -9.827 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.001 -21.348 -11.422 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.678 -20.987 -8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.561 -22.489 -9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.499 -21.794 -10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.332 -20.159 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.571 -20.958 -7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.624 -22.621 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.682 -22.056 -9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.650 -20.446 -8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.162 -21.884 -7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.880 -21.421 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.911 -22.981 -7.113 1.00 0.00 H new ATOM 239 N LEU A 16 -4.335 -19.787 -10.052 1.00 0.00 N ATOM 240 CA LEU A 16 -5.737 -19.765 -9.662 1.00 0.00 C ATOM 241 C LEU A 16 -6.654 -19.709 -10.876 1.00 0.00 C ATOM 242 O LEU A 16 -6.198 -19.637 -12.016 1.00 0.00 O ATOM 243 CB LEU A 16 -6.019 -18.560 -8.766 1.00 0.00 C ATOM 244 CG LEU A 16 -5.261 -18.526 -7.442 1.00 0.00 C ATOM 245 CD1 LEU A 16 -5.598 -17.261 -6.682 1.00 0.00 C ATOM 246 CD2 LEU A 16 -5.589 -19.748 -6.603 1.00 0.00 C ATOM 0 H LEU A 16 -3.931 -18.867 -10.228 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.938 -20.687 -9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.781 -17.653 -9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.087 -18.532 -8.552 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.192 -18.536 -7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.052 -17.247 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.316 -16.393 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.669 -17.231 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.038 -19.703 -5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.659 -19.770 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.306 -20.649 -7.147 1.00 0.00 H new ATOM 258 N SER A 17 -7.954 -19.754 -10.618 1.00 0.00 N ATOM 259 CA SER A 17 -8.953 -19.577 -11.658 1.00 0.00 C ATOM 260 C SER A 17 -9.272 -18.098 -11.815 1.00 0.00 C ATOM 261 O SER A 17 -8.899 -17.291 -10.965 1.00 0.00 O ATOM 262 CB SER A 17 -10.228 -20.332 -11.298 1.00 0.00 C ATOM 263 OG SER A 17 -9.945 -21.659 -10.908 1.00 0.00 O ATOM 0 H SER A 17 -8.342 -19.913 -9.688 1.00 0.00 H new ATOM 0 HA SER A 17 -8.558 -19.969 -12.595 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.743 -19.815 -10.489 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.903 -20.338 -12.153 1.00 0.00 H new ATOM 0 HG SER A 17 -9.527 -21.657 -10.022 1.00 0.00 H new ATOM 269 N GLU A 18 -10.003 -17.755 -12.868 1.00 0.00 N ATOM 270 CA GLU A 18 -10.336 -16.364 -13.158 1.00 0.00 C ATOM 271 C GLU A 18 -11.136 -15.757 -12.008 1.00 0.00 C ATOM 272 O GLU A 18 -10.975 -14.581 -11.674 1.00 0.00 O ATOM 273 CB GLU A 18 -11.127 -16.281 -14.463 1.00 0.00 C ATOM 274 CG GLU A 18 -10.373 -16.848 -15.655 1.00 0.00 C ATOM 275 CD GLU A 18 -11.198 -16.865 -16.923 1.00 0.00 C ATOM 276 OE1 GLU A 18 -11.890 -17.873 -17.175 1.00 0.00 O ATOM 277 OE2 GLU A 18 -11.142 -15.877 -17.687 1.00 0.00 O ATOM 0 H GLU A 18 -10.379 -18.424 -13.540 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.413 -15.795 -13.269 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.067 -16.820 -14.346 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.379 -15.239 -14.662 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.472 -16.258 -15.822 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.051 -17.863 -15.424 1.00 0.00 H new ATOM 284 N ASP A 19 -11.978 -16.575 -11.393 1.00 0.00 N ATOM 285 CA ASP A 19 -12.746 -16.148 -10.230 1.00 0.00 C ATOM 286 C ASP A 19 -11.813 -15.882 -9.059 1.00 0.00 C ATOM 287 O ASP A 19 -11.758 -14.774 -8.529 1.00 0.00 O ATOM 288 CB ASP A 19 -13.759 -17.223 -9.830 1.00 0.00 C ATOM 289 CG ASP A 19 -14.893 -17.369 -10.822 1.00 0.00 C ATOM 290 OD1 ASP A 19 -14.833 -18.288 -11.663 1.00 0.00 O ATOM 291 OD2 ASP A 19 -15.854 -16.574 -10.756 1.00 0.00 O ATOM 0 H ASP A 19 -12.147 -17.539 -11.680 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.279 -15.234 -10.490 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.245 -18.179 -9.731 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -14.170 -16.980 -8.850 1.00 0.00 H new ATOM 296 N GLN A 20 -11.043 -16.905 -8.712 1.00 0.00 N ATOM 297 CA GLN A 20 -10.182 -16.888 -7.533 1.00 0.00 C ATOM 298 C GLN A 20 -9.164 -15.744 -7.579 1.00 0.00 C ATOM 299 O GLN A 20 -8.865 -15.135 -6.554 1.00 0.00 O ATOM 300 CB GLN A 20 -9.473 -18.236 -7.413 1.00 0.00 C ATOM 301 CG GLN A 20 -10.437 -19.411 -7.342 1.00 0.00 C ATOM 302 CD GLN A 20 -9.755 -20.755 -7.515 1.00 0.00 C ATOM 303 OE1 GLN A 20 -8.724 -20.864 -8.182 1.00 0.00 O ATOM 304 NE2 GLN A 20 -10.331 -21.789 -6.925 1.00 0.00 N ATOM 0 H GLN A 20 -10.997 -17.775 -9.242 1.00 0.00 H new ATOM 0 HA GLN A 20 -10.805 -16.718 -6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.810 -18.369 -8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.847 -18.233 -6.521 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.951 -19.393 -6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.198 -19.295 -8.113 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.184 -21.656 -6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.922 -22.719 -7.013 1.00 0.00 H new ATOM 313 N LYS A 21 -8.648 -15.447 -8.770 1.00 0.00 N ATOM 314 CA LYS A 21 -7.696 -14.345 -8.947 1.00 0.00 C ATOM 315 C LYS A 21 -8.316 -13.018 -8.529 1.00 0.00 C ATOM 316 O LYS A 21 -7.651 -12.163 -7.945 1.00 0.00 O ATOM 317 CB LYS A 21 -7.248 -14.248 -10.408 1.00 0.00 C ATOM 318 CG LYS A 21 -6.587 -15.504 -10.937 1.00 0.00 C ATOM 319 CD LYS A 21 -6.268 -15.378 -12.416 1.00 0.00 C ATOM 320 CE LYS A 21 -5.846 -16.712 -13.006 1.00 0.00 C ATOM 321 NZ LYS A 21 -5.455 -16.595 -14.432 1.00 0.00 N ATOM 0 H LYS A 21 -8.871 -15.952 -9.628 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.833 -14.552 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.114 -14.018 -11.028 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.553 -13.414 -10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.670 -15.697 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.244 -16.359 -10.776 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.142 -15.003 -12.948 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.472 -14.647 -12.557 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.009 -17.112 -12.433 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.666 -17.424 -12.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.175 -17.529 -14.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.260 -16.238 -14.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.655 -15.936 -14.520 1.00 0.00 H new ATOM 335 N THR A 22 -9.594 -12.858 -8.832 1.00 0.00 N ATOM 336 CA THR A 22 -10.305 -11.632 -8.520 1.00 0.00 C ATOM 337 C THR A 22 -10.520 -11.507 -7.011 1.00 0.00 C ATOM 338 O THR A 22 -10.442 -10.416 -6.441 1.00 0.00 O ATOM 339 CB THR A 22 -11.664 -11.599 -9.249 1.00 0.00 C ATOM 340 OG1 THR A 22 -11.474 -11.898 -10.641 1.00 0.00 O ATOM 341 CG2 THR A 22 -12.328 -10.237 -9.108 1.00 0.00 C ATOM 0 H THR A 22 -10.162 -13.567 -9.296 1.00 0.00 H new ATOM 0 HA THR A 22 -9.702 -10.790 -8.859 1.00 0.00 H new ATOM 0 HB THR A 22 -12.313 -12.348 -8.795 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.321 -12.860 -10.751 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.284 -10.242 -9.631 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.493 -10.020 -8.053 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.683 -9.471 -9.539 1.00 0.00 H new ATOM 349 N HIS A 23 -10.760 -12.641 -6.362 1.00 0.00 N ATOM 350 CA HIS A 23 -11.017 -12.658 -4.930 1.00 0.00 C ATOM 351 C HIS A 23 -9.728 -12.497 -4.134 1.00 0.00 C ATOM 352 O HIS A 23 -9.763 -12.099 -2.971 1.00 0.00 O ATOM 353 CB HIS A 23 -11.753 -13.936 -4.532 1.00 0.00 C ATOM 354 CG HIS A 23 -13.108 -14.035 -5.159 1.00 0.00 C ATOM 355 ND1 HIS A 23 -14.209 -13.272 -4.955 1.00 0.00 N flip ATOM 356 CD2 HIS A 23 -13.384 -14.968 -6.124 1.00 0.00 C flip ATOM 357 CE1 HIS A 23 -15.175 -13.732 -5.810 1.00 0.00 C flip ATOM 358 NE2 HIS A 23 -14.632 -14.751 -6.489 1.00 0.00 N flip ATOM 0 H HIS A 23 -10.782 -13.559 -6.806 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.656 -11.808 -4.692 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.157 -14.801 -4.824 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.855 -13.970 -3.447 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -14.301 -12.503 -4.292 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.716 -15.726 -6.507 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -16.179 -13.348 -5.916 1.00 0.00 H new ATOM 366 N LEU A 24 -8.592 -12.798 -4.757 1.00 0.00 N ATOM 367 CA LEU A 24 -7.304 -12.511 -4.145 1.00 0.00 C ATOM 368 C LEU A 24 -7.150 -11.011 -3.958 1.00 0.00 C ATOM 369 O LEU A 24 -6.775 -10.542 -2.885 1.00 0.00 O ATOM 370 CB LEU A 24 -6.148 -13.039 -4.998 1.00 0.00 C ATOM 371 CG LEU A 24 -5.571 -14.398 -4.594 1.00 0.00 C ATOM 372 CD1 LEU A 24 -4.177 -14.567 -5.173 1.00 0.00 C ATOM 373 CD2 LEU A 24 -5.551 -14.568 -3.081 1.00 0.00 C ATOM 0 H LEU A 24 -8.539 -13.236 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.271 -13.014 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.488 -13.106 -6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.343 -12.305 -4.974 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.218 -15.175 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.776 -15.537 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.225 -14.508 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.528 -13.777 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.135 -15.544 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.936 -13.786 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.567 -14.496 -2.693 1.00 0.00 H new ATOM 385 N ASP A 25 -7.464 -10.265 -5.009 1.00 0.00 N ATOM 386 CA ASP A 25 -7.382 -8.812 -4.964 1.00 0.00 C ATOM 387 C ASP A 25 -8.364 -8.263 -3.938 1.00 0.00 C ATOM 388 O ASP A 25 -8.034 -7.360 -3.173 1.00 0.00 O ATOM 389 CB ASP A 25 -7.667 -8.219 -6.343 1.00 0.00 C ATOM 390 CG ASP A 25 -7.480 -6.716 -6.376 1.00 0.00 C ATOM 391 OD1 ASP A 25 -8.493 -5.991 -6.460 1.00 0.00 O ATOM 392 OD2 ASP A 25 -6.319 -6.255 -6.330 1.00 0.00 O ATOM 0 H ASP A 25 -7.778 -10.643 -5.903 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.372 -8.528 -4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.007 -8.681 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.689 -8.462 -6.636 1.00 0.00 H new ATOM 397 N TRP A 26 -9.564 -8.839 -3.915 1.00 0.00 N ATOM 398 CA TRP A 26 -10.577 -8.472 -2.929 1.00 0.00 C ATOM 399 C TRP A 26 -10.055 -8.711 -1.515 1.00 0.00 C ATOM 400 O TRP A 26 -10.140 -7.834 -0.657 1.00 0.00 O ATOM 401 CB TRP A 26 -11.862 -9.281 -3.153 1.00 0.00 C ATOM 402 CG TRP A 26 -12.974 -8.937 -2.199 1.00 0.00 C ATOM 403 CD1 TRP A 26 -13.926 -7.970 -2.364 1.00 0.00 C ATOM 404 CD2 TRP A 26 -13.253 -9.562 -0.934 1.00 0.00 C ATOM 405 NE1 TRP A 26 -14.777 -7.954 -1.285 1.00 0.00 N ATOM 406 CE2 TRP A 26 -14.385 -8.920 -0.394 1.00 0.00 C ATOM 407 CE3 TRP A 26 -12.655 -10.599 -0.204 1.00 0.00 C ATOM 408 CZ2 TRP A 26 -14.928 -9.281 0.836 1.00 0.00 C ATOM 409 CZ3 TRP A 26 -13.199 -10.954 1.019 1.00 0.00 C ATOM 410 CH2 TRP A 26 -14.326 -10.297 1.526 1.00 0.00 C ATOM 0 H TRP A 26 -9.859 -9.563 -4.570 1.00 0.00 H new ATOM 0 HA TRP A 26 -10.802 -7.412 -3.049 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -12.209 -9.118 -4.173 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.632 -10.342 -3.060 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -13.999 -7.314 -3.219 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -15.571 -7.325 -1.166 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.786 -11.112 -0.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -15.796 -8.775 1.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -12.746 -11.751 1.591 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.729 -10.598 2.482 1.00 0.00 H new ATOM 421 N LEU A 27 -9.509 -9.901 -1.287 1.00 0.00 N ATOM 422 CA LEU A 27 -8.983 -10.275 0.020 1.00 0.00 C ATOM 423 C LEU A 27 -7.820 -9.376 0.422 1.00 0.00 C ATOM 424 O LEU A 27 -7.684 -9.009 1.587 1.00 0.00 O ATOM 425 CB LEU A 27 -8.540 -11.739 0.016 1.00 0.00 C ATOM 426 CG LEU A 27 -7.982 -12.253 1.343 1.00 0.00 C ATOM 427 CD1 LEU A 27 -8.995 -12.055 2.457 1.00 0.00 C ATOM 428 CD2 LEU A 27 -7.605 -13.718 1.227 1.00 0.00 C ATOM 0 H LEU A 27 -9.419 -10.628 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.780 -10.148 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.391 -12.359 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.780 -11.870 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.085 -11.682 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.582 -12.426 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.224 -10.994 2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.907 -12.602 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.209 -14.068 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.488 -14.301 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.847 -13.838 0.453 1.00 0.00 H new ATOM 440 N LYS A 28 -6.988 -9.027 -0.549 1.00 0.00 N ATOM 441 CA LYS A 28 -5.880 -8.112 -0.319 1.00 0.00 C ATOM 442 C LYS A 28 -6.388 -6.789 0.226 1.00 0.00 C ATOM 443 O LYS A 28 -5.933 -6.319 1.269 1.00 0.00 O ATOM 444 CB LYS A 28 -5.115 -7.900 -1.623 1.00 0.00 C ATOM 445 CG LYS A 28 -4.062 -6.807 -1.560 1.00 0.00 C ATOM 446 CD LYS A 28 -3.132 -6.865 -2.759 1.00 0.00 C ATOM 447 CE LYS A 28 -3.901 -6.928 -4.069 1.00 0.00 C ATOM 448 NZ LYS A 28 -4.571 -5.640 -4.401 1.00 0.00 N ATOM 0 H LYS A 28 -7.060 -9.366 -1.508 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.206 -8.544 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.633 -8.836 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.826 -7.658 -2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.549 -5.832 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.482 -6.910 -0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.485 -5.988 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.485 -7.738 -2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.218 -7.196 -4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.650 -7.718 -4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.468 -5.832 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.760 -5.111 -3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.953 -5.076 -5.019 1.00 0.00 H new ATOM 462 N GLU A 29 -7.344 -6.206 -0.477 1.00 0.00 N ATOM 463 CA GLU A 29 -7.961 -4.959 -0.045 1.00 0.00 C ATOM 464 C GLU A 29 -8.685 -5.143 1.289 1.00 0.00 C ATOM 465 O GLU A 29 -8.645 -4.270 2.154 1.00 0.00 O ATOM 466 CB GLU A 29 -8.943 -4.457 -1.098 1.00 0.00 C ATOM 467 CG GLU A 29 -8.345 -4.350 -2.493 1.00 0.00 C ATOM 468 CD GLU A 29 -7.064 -3.545 -2.528 1.00 0.00 C ATOM 469 OE1 GLU A 29 -7.131 -2.308 -2.370 1.00 0.00 O ATOM 470 OE2 GLU A 29 -5.987 -4.145 -2.730 1.00 0.00 O ATOM 0 H GLU A 29 -7.712 -6.576 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.170 -4.221 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.801 -5.129 -1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.316 -3.478 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.149 -5.352 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.074 -3.891 -3.161 1.00 0.00 H new ATOM 477 N ALA A 30 -9.345 -6.287 1.438 1.00 0.00 N ATOM 478 CA ALA A 30 -10.066 -6.621 2.662 1.00 0.00 C ATOM 479 C ALA A 30 -9.135 -6.629 3.867 1.00 0.00 C ATOM 480 O ALA A 30 -9.455 -6.063 4.910 1.00 0.00 O ATOM 481 CB ALA A 30 -10.739 -7.978 2.514 1.00 0.00 C ATOM 0 H ALA A 30 -9.395 -7.007 0.717 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.825 -5.856 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.275 -8.220 3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.441 -7.947 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.983 -8.740 2.323 1.00 0.00 H new ATOM 487 N LEU A 31 -7.987 -7.272 3.710 1.00 0.00 N ATOM 488 CA LEU A 31 -7.007 -7.389 4.782 1.00 0.00 C ATOM 489 C LEU A 31 -6.244 -6.081 4.978 1.00 0.00 C ATOM 490 O LEU A 31 -6.024 -5.642 6.109 1.00 0.00 O ATOM 491 CB LEU A 31 -6.038 -8.535 4.469 1.00 0.00 C ATOM 492 CG LEU A 31 -6.665 -9.933 4.525 1.00 0.00 C ATOM 493 CD1 LEU A 31 -5.684 -10.985 4.046 1.00 0.00 C ATOM 494 CD2 LEU A 31 -7.130 -10.254 5.937 1.00 0.00 C ATOM 0 H LEU A 31 -7.709 -7.726 2.840 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.533 -7.606 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.619 -8.378 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.208 -8.495 5.174 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.530 -9.941 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.152 -11.968 4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.395 -10.772 3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.798 -10.973 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.572 -11.250 5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.279 -10.221 6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.873 -9.521 6.251 1.00 0.00 H new ATOM 506 N GLY A 32 -5.842 -5.462 3.879 1.00 0.00 N ATOM 507 CA GLY A 32 -5.104 -4.217 3.953 1.00 0.00 C ATOM 508 C GLY A 32 -3.622 -4.439 4.179 1.00 0.00 C ATOM 509 O GLY A 32 -2.796 -4.066 3.347 1.00 0.00 O ATOM 0 H GLY A 32 -6.014 -5.801 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.248 -3.656 3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.505 -3.607 4.762 1.00 0.00 H new ATOM 513 N ASN A 33 -3.288 -5.059 5.305 1.00 0.00 N ATOM 514 CA ASN A 33 -1.900 -5.337 5.649 1.00 0.00 C ATOM 515 C ASN A 33 -1.304 -6.378 4.720 1.00 0.00 C ATOM 516 O ASN A 33 -1.896 -7.435 4.488 1.00 0.00 O ATOM 517 CB ASN A 33 -1.776 -5.825 7.091 1.00 0.00 C ATOM 518 CG ASN A 33 -1.814 -4.696 8.104 1.00 0.00 C ATOM 519 OD1 ASN A 33 -2.492 -3.690 7.911 1.00 0.00 O ATOM 520 ND2 ASN A 33 -1.071 -4.856 9.187 1.00 0.00 N ATOM 0 H ASN A 33 -3.964 -5.380 5.998 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.351 -4.402 5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.585 -6.524 7.303 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.842 -6.375 7.203 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.047 -4.128 9.901 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.523 -5.708 9.308 1.00 0.00 H new ATOM 527 N ASP A 34 -0.118 -6.079 4.212 1.00 0.00 N ATOM 528 CA ASP A 34 0.571 -6.968 3.285 1.00 0.00 C ATOM 529 C ASP A 34 0.858 -8.298 3.955 1.00 0.00 C ATOM 530 O ASP A 34 0.673 -9.355 3.362 1.00 0.00 O ATOM 531 CB ASP A 34 1.892 -6.355 2.807 1.00 0.00 C ATOM 532 CG ASP A 34 1.737 -4.942 2.287 1.00 0.00 C ATOM 533 OD1 ASP A 34 2.359 -4.025 2.868 1.00 0.00 O ATOM 534 OD2 ASP A 34 0.990 -4.734 1.308 1.00 0.00 O ATOM 0 H ASP A 34 0.391 -5.222 4.427 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.080 -7.118 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.605 -6.356 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.313 -6.981 2.020 1.00 0.00 H new ATOM 539 N GLY A 35 1.284 -8.232 5.212 1.00 0.00 N ATOM 540 CA GLY A 35 1.666 -9.427 5.941 1.00 0.00 C ATOM 541 C GLY A 35 0.509 -10.374 6.191 1.00 0.00 C ATOM 542 O GLY A 35 0.707 -11.584 6.317 1.00 0.00 O ATOM 0 H GLY A 35 1.372 -7.365 5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.442 -9.952 5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.102 -9.137 6.897 1.00 0.00 H new ATOM 546 N GLU A 36 -0.702 -9.840 6.273 1.00 0.00 N ATOM 547 CA GLU A 36 -1.870 -10.668 6.508 1.00 0.00 C ATOM 548 C GLU A 36 -2.354 -11.310 5.216 1.00 0.00 C ATOM 549 O GLU A 36 -2.822 -12.447 5.221 1.00 0.00 O ATOM 550 CB GLU A 36 -2.974 -9.852 7.167 1.00 0.00 C ATOM 551 CG GLU A 36 -2.523 -9.222 8.473 1.00 0.00 C ATOM 552 CD GLU A 36 -1.724 -10.185 9.335 1.00 0.00 C ATOM 553 OE1 GLU A 36 -0.585 -9.839 9.708 1.00 0.00 O ATOM 554 OE2 GLU A 36 -2.205 -11.306 9.604 1.00 0.00 O ATOM 0 H GLU A 36 -0.898 -8.843 6.181 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.590 -11.473 7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.302 -9.069 6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.835 -10.494 7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.917 -8.342 8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.396 -8.880 9.029 1.00 0.00 H new ATOM 561 N PHE A 37 -2.227 -10.602 4.104 1.00 0.00 N ATOM 562 CA PHE A 37 -2.552 -11.190 2.816 1.00 0.00 C ATOM 563 C PHE A 37 -1.467 -12.193 2.439 1.00 0.00 C ATOM 564 O PHE A 37 -1.751 -13.270 1.918 1.00 0.00 O ATOM 565 CB PHE A 37 -2.720 -10.110 1.739 1.00 0.00 C ATOM 566 CG PHE A 37 -3.155 -10.659 0.408 1.00 0.00 C ATOM 567 CD1 PHE A 37 -2.433 -10.394 -0.744 1.00 0.00 C ATOM 568 CD2 PHE A 37 -4.287 -11.454 0.317 1.00 0.00 C ATOM 569 CE1 PHE A 37 -2.835 -10.912 -1.963 1.00 0.00 C ATOM 570 CE2 PHE A 37 -4.694 -11.972 -0.895 1.00 0.00 C ATOM 571 CZ PHE A 37 -3.967 -11.702 -2.039 1.00 0.00 C ATOM 0 H PHE A 37 -1.906 -9.634 4.067 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.507 -11.711 2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.453 -9.378 2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.775 -9.581 1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.548 -9.777 -0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.858 -11.671 1.208 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.264 -10.699 -2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.580 -12.588 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.282 -12.107 -2.989 1.00 0.00 H new ATOM 581 N ASP A 38 -0.225 -11.838 2.750 1.00 0.00 N ATOM 582 CA ASP A 38 0.920 -12.730 2.571 1.00 0.00 C ATOM 583 C ASP A 38 0.713 -14.006 3.366 1.00 0.00 C ATOM 584 O ASP A 38 1.065 -15.099 2.923 1.00 0.00 O ATOM 585 CB ASP A 38 2.193 -12.040 3.055 1.00 0.00 C ATOM 586 CG ASP A 38 3.460 -12.751 2.623 1.00 0.00 C ATOM 587 OD1 ASP A 38 3.972 -13.595 3.395 1.00 0.00 O ATOM 588 OD2 ASP A 38 3.960 -12.461 1.519 1.00 0.00 O ATOM 0 H ASP A 38 0.019 -10.925 3.133 1.00 0.00 H new ATOM 0 HA ASP A 38 1.014 -12.973 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.211 -11.018 2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.173 -11.977 4.143 1.00 0.00 H new ATOM 593 N LYS A 39 0.150 -13.837 4.554 1.00 0.00 N ATOM 594 CA LYS A 39 -0.200 -14.953 5.431 1.00 0.00 C ATOM 595 C LYS A 39 -1.024 -15.991 4.668 1.00 0.00 C ATOM 596 O LYS A 39 -0.676 -17.171 4.621 1.00 0.00 O ATOM 597 CB LYS A 39 -1.007 -14.435 6.628 1.00 0.00 C ATOM 598 CG LYS A 39 -1.027 -15.373 7.825 1.00 0.00 C ATOM 599 CD LYS A 39 0.274 -15.301 8.613 1.00 0.00 C ATOM 600 CE LYS A 39 0.287 -14.149 9.621 1.00 0.00 C ATOM 601 NZ LYS A 39 0.083 -12.813 8.993 1.00 0.00 N ATOM 0 H LYS A 39 -0.079 -12.921 4.941 1.00 0.00 H new ATOM 0 HA LYS A 39 0.718 -15.423 5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.595 -13.475 6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.033 -14.252 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.862 -15.116 8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.191 -16.395 7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.428 -16.242 9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.108 -15.183 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.493 -14.316 10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.239 -14.151 10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.520 -12.080 9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.522 -12.802 8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.936 -12.624 8.903 1.00 0.00 H new ATOM 615 N PHE A 40 -2.105 -15.521 4.050 1.00 0.00 N ATOM 616 CA PHE A 40 -3.001 -16.369 3.270 1.00 0.00 C ATOM 617 C PHE A 40 -2.274 -16.972 2.069 1.00 0.00 C ATOM 618 O PHE A 40 -2.486 -18.133 1.716 1.00 0.00 O ATOM 619 CB PHE A 40 -4.201 -15.537 2.805 1.00 0.00 C ATOM 620 CG PHE A 40 -5.193 -16.284 1.958 1.00 0.00 C ATOM 621 CD1 PHE A 40 -6.184 -17.056 2.541 1.00 0.00 C ATOM 622 CD2 PHE A 40 -5.142 -16.196 0.578 1.00 0.00 C ATOM 623 CE1 PHE A 40 -7.105 -17.727 1.763 1.00 0.00 C ATOM 624 CE2 PHE A 40 -6.059 -16.867 -0.205 1.00 0.00 C ATOM 625 CZ PHE A 40 -7.042 -17.632 0.388 1.00 0.00 C ATOM 0 H PHE A 40 -2.384 -14.540 4.076 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.347 -17.192 3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.715 -15.145 3.682 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.834 -14.680 2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.237 -17.134 3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.376 -15.596 0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.874 -18.325 2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.007 -16.793 -1.281 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.762 -18.156 -0.224 1.00 0.00 H new ATOM 635 N LEU A 41 -1.406 -16.177 1.461 1.00 0.00 N ATOM 636 CA LEU A 41 -0.660 -16.598 0.277 1.00 0.00 C ATOM 637 C LEU A 41 0.312 -17.732 0.594 1.00 0.00 C ATOM 638 O LEU A 41 0.813 -18.401 -0.310 1.00 0.00 O ATOM 639 CB LEU A 41 0.114 -15.412 -0.300 1.00 0.00 C ATOM 640 CG LEU A 41 -0.740 -14.212 -0.703 1.00 0.00 C ATOM 641 CD1 LEU A 41 0.146 -13.038 -1.078 1.00 0.00 C ATOM 642 CD2 LEU A 41 -1.661 -14.576 -1.856 1.00 0.00 C ATOM 0 H LEU A 41 -1.197 -15.227 1.769 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.381 -16.964 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.848 -15.084 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.670 -15.752 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.356 -13.923 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.476 -12.189 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.766 -12.763 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.785 -13.317 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.262 -13.709 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.065 -14.889 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.318 -15.392 -1.553 1.00 0.00 H new ATOM 654 N GLY A 42 0.577 -17.946 1.877 1.00 0.00 N ATOM 655 CA GLY A 42 1.529 -18.962 2.277 1.00 0.00 C ATOM 656 C GLY A 42 0.863 -20.263 2.671 1.00 0.00 C ATOM 657 O GLY A 42 1.495 -21.137 3.270 1.00 0.00 O ATOM 0 H GLY A 42 0.149 -17.433 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.223 -19.147 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.119 -18.592 3.116 1.00 0.00 H new ATOM 661 N TYR A 43 -0.412 -20.403 2.342 1.00 0.00 N ATOM 662 CA TYR A 43 -1.146 -21.611 2.676 1.00 0.00 C ATOM 663 C TYR A 43 -1.111 -22.621 1.542 1.00 0.00 C ATOM 664 O TYR A 43 -0.478 -22.397 0.511 1.00 0.00 O ATOM 665 CB TYR A 43 -2.597 -21.292 3.034 1.00 0.00 C ATOM 666 CG TYR A 43 -2.757 -20.734 4.421 1.00 0.00 C ATOM 667 CD1 TYR A 43 -2.288 -21.440 5.514 1.00 0.00 C ATOM 668 CD2 TYR A 43 -3.389 -19.519 4.644 1.00 0.00 C ATOM 669 CE1 TYR A 43 -2.441 -20.960 6.791 1.00 0.00 C ATOM 670 CE2 TYR A 43 -3.544 -19.024 5.923 1.00 0.00 C ATOM 671 CZ TYR A 43 -3.068 -19.748 6.996 1.00 0.00 C ATOM 672 OH TYR A 43 -3.231 -19.265 8.273 1.00 0.00 O ATOM 0 H TYR A 43 -0.957 -19.698 1.846 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.654 -22.050 3.544 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.993 -20.576 2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.194 -22.199 2.943 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.792 -22.387 5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.765 -18.953 3.805 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.072 -21.529 7.632 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.035 -18.075 6.083 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.690 -18.400 8.239 1.00 0.00 H new ATOM 682 N ASP A 44 -1.791 -23.740 1.754 1.00 0.00 N ATOM 683 CA ASP A 44 -1.887 -24.790 0.739 1.00 0.00 C ATOM 684 C ASP A 44 -2.795 -24.342 -0.391 1.00 0.00 C ATOM 685 O ASP A 44 -3.862 -23.788 -0.132 1.00 0.00 O ATOM 686 CB ASP A 44 -2.455 -26.072 1.343 1.00 0.00 C ATOM 687 CG ASP A 44 -2.296 -27.271 0.429 1.00 0.00 C ATOM 688 OD1 ASP A 44 -3.207 -27.526 -0.382 1.00 0.00 O ATOM 689 OD2 ASP A 44 -1.271 -27.971 0.533 1.00 0.00 O ATOM 0 H ASP A 44 -2.287 -23.948 2.621 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.884 -24.982 0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.956 -26.274 2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.512 -25.927 1.564 1.00 0.00 H new ATOM 694 N GLU A 45 -2.392 -24.595 -1.631 1.00 0.00 N ATOM 695 CA GLU A 45 -3.195 -24.227 -2.790 1.00 0.00 C ATOM 696 C GLU A 45 -4.602 -24.802 -2.694 1.00 0.00 C ATOM 697 O GLU A 45 -5.574 -24.138 -3.052 1.00 0.00 O ATOM 698 CB GLU A 45 -2.534 -24.708 -4.079 1.00 0.00 C ATOM 699 CG GLU A 45 -1.684 -23.653 -4.764 1.00 0.00 C ATOM 700 CD GLU A 45 -1.218 -24.098 -6.133 1.00 0.00 C ATOM 701 OE1 GLU A 45 -2.059 -24.162 -7.058 1.00 0.00 O ATOM 702 OE2 GLU A 45 -0.014 -24.388 -6.295 1.00 0.00 O ATOM 0 H GLU A 45 -1.511 -25.055 -1.859 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.264 -23.139 -2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.911 -25.574 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.308 -25.042 -4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.258 -22.731 -4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.818 -23.427 -4.143 1.00 0.00 H new ATOM 709 N SER A 46 -4.713 -26.017 -2.174 1.00 0.00 N ATOM 710 CA SER A 46 -6.001 -26.685 -2.082 1.00 0.00 C ATOM 711 C SER A 46 -6.893 -25.973 -1.073 1.00 0.00 C ATOM 712 O SER A 46 -8.113 -25.911 -1.237 1.00 0.00 O ATOM 713 CB SER A 46 -5.810 -28.148 -1.680 1.00 0.00 C ATOM 714 OG SER A 46 -4.717 -28.724 -2.382 1.00 0.00 O ATOM 0 H SER A 46 -3.928 -26.558 -1.811 1.00 0.00 H new ATOM 0 HA SER A 46 -6.483 -26.651 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.635 -28.215 -0.606 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.720 -28.710 -1.890 1.00 0.00 H new ATOM 0 HG SER A 46 -3.886 -28.551 -1.892 1.00 0.00 H new ATOM 720 N LYS A 47 -6.277 -25.407 -0.042 1.00 0.00 N ATOM 721 CA LYS A 47 -7.023 -24.707 0.989 1.00 0.00 C ATOM 722 C LYS A 47 -7.312 -23.278 0.548 1.00 0.00 C ATOM 723 O LYS A 47 -8.395 -22.748 0.791 1.00 0.00 O ATOM 724 CB LYS A 47 -6.241 -24.732 2.304 1.00 0.00 C ATOM 725 CG LYS A 47 -6.013 -26.143 2.823 1.00 0.00 C ATOM 726 CD LYS A 47 -5.351 -26.158 4.190 1.00 0.00 C ATOM 727 CE LYS A 47 -4.977 -27.572 4.607 1.00 0.00 C ATOM 728 NZ LYS A 47 -6.148 -28.491 4.597 1.00 0.00 N ATOM 0 H LYS A 47 -5.267 -25.420 0.100 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.977 -25.210 1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.278 -24.242 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.782 -24.156 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.968 -26.665 2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.391 -26.691 2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.458 -25.534 4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.026 -25.725 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.210 -27.956 3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.543 -27.551 5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.886 -29.392 5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.934 -28.058 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.443 -28.666 3.615 1.00 0.00 H new ATOM 742 N ILE A 48 -6.341 -22.676 -0.125 1.00 0.00 N ATOM 743 CA ILE A 48 -6.473 -21.325 -0.650 1.00 0.00 C ATOM 744 C ILE A 48 -7.624 -21.230 -1.648 1.00 0.00 C ATOM 745 O ILE A 48 -8.497 -20.370 -1.527 1.00 0.00 O ATOM 746 CB ILE A 48 -5.162 -20.886 -1.335 1.00 0.00 C ATOM 747 CG1 ILE A 48 -4.045 -20.758 -0.298 1.00 0.00 C ATOM 748 CG2 ILE A 48 -5.346 -19.583 -2.099 1.00 0.00 C ATOM 749 CD1 ILE A 48 -2.701 -20.420 -0.898 1.00 0.00 C ATOM 0 H ILE A 48 -5.440 -23.111 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.685 -20.663 0.189 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.881 -21.651 -2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.316 -19.987 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.963 -21.695 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.404 -19.301 -2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.110 -19.715 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.656 -18.798 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.957 -20.345 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.408 -21.203 -1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.767 -19.468 -1.425 1.00 0.00 H new ATOM 761 N LYS A 49 -7.632 -22.133 -2.618 1.00 0.00 N ATOM 762 CA LYS A 49 -8.629 -22.104 -3.680 1.00 0.00 C ATOM 763 C LYS A 49 -10.027 -22.382 -3.134 1.00 0.00 C ATOM 764 O LYS A 49 -11.010 -21.816 -3.614 1.00 0.00 O ATOM 765 CB LYS A 49 -8.251 -23.104 -4.775 1.00 0.00 C ATOM 766 CG LYS A 49 -6.923 -22.761 -5.433 1.00 0.00 C ATOM 767 CD LYS A 49 -6.519 -23.761 -6.506 1.00 0.00 C ATOM 768 CE LYS A 49 -5.136 -23.428 -7.049 1.00 0.00 C ATOM 769 NZ LYS A 49 -4.713 -24.342 -8.141 1.00 0.00 N ATOM 0 H LYS A 49 -6.959 -22.896 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.647 -21.104 -4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.195 -24.105 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.035 -23.125 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.988 -21.767 -5.876 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.145 -22.720 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.521 -24.769 -6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.248 -23.748 -7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.132 -22.402 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.410 -23.478 -6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.753 -24.692 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.370 -25.146 -8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.720 -23.829 -9.046 1.00 0.00 H new ATOM 783 N THR A 50 -10.106 -23.231 -2.114 1.00 0.00 N ATOM 784 CA THR A 50 -11.369 -23.509 -1.448 1.00 0.00 C ATOM 785 C THR A 50 -11.861 -22.271 -0.692 1.00 0.00 C ATOM 786 O THR A 50 -13.045 -21.928 -0.741 1.00 0.00 O ATOM 787 CB THR A 50 -11.233 -24.697 -0.470 1.00 0.00 C ATOM 788 OG1 THR A 50 -10.827 -25.879 -1.181 1.00 0.00 O ATOM 789 CG2 THR A 50 -12.543 -24.966 0.252 1.00 0.00 C ATOM 0 H THR A 50 -9.308 -23.738 -1.732 1.00 0.00 H new ATOM 0 HA THR A 50 -12.097 -23.773 -2.215 1.00 0.00 H new ATOM 0 HB THR A 50 -10.476 -24.436 0.270 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.849 -25.918 -1.219 1.00 0.00 H new ATOM 0 HG21 THR A 50 -12.417 -25.807 0.933 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.835 -24.081 0.818 1.00 0.00 H new ATOM 0 HG23 THR A 50 -13.318 -25.203 -0.477 1.00 0.00 H new ATOM 797 N ALA A 51 -10.936 -21.591 -0.013 1.00 0.00 N ATOM 798 CA ALA A 51 -11.265 -20.386 0.745 1.00 0.00 C ATOM 799 C ALA A 51 -11.808 -19.294 -0.171 1.00 0.00 C ATOM 800 O ALA A 51 -12.845 -18.695 0.113 1.00 0.00 O ATOM 801 CB ALA A 51 -10.048 -19.878 1.508 1.00 0.00 C ATOM 0 H ALA A 51 -9.952 -21.856 0.027 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.041 -20.647 1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.316 -18.980 2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.706 -20.647 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.249 -19.643 0.804 1.00 0.00 H new ATOM 807 N LEU A 52 -11.109 -19.055 -1.275 1.00 0.00 N ATOM 808 CA LEU A 52 -11.494 -18.017 -2.228 1.00 0.00 C ATOM 809 C LEU A 52 -12.865 -18.295 -2.840 1.00 0.00 C ATOM 810 O LEU A 52 -13.680 -17.384 -3.003 1.00 0.00 O ATOM 811 CB LEU A 52 -10.443 -17.897 -3.330 1.00 0.00 C ATOM 812 CG LEU A 52 -9.066 -17.421 -2.860 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.066 -17.466 -4.002 1.00 0.00 C ATOM 814 CD2 LEU A 52 -9.154 -16.014 -2.291 1.00 0.00 C ATOM 0 H LEU A 52 -10.267 -19.569 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.556 -17.074 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.330 -18.868 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.811 -17.206 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.723 -18.093 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.094 -17.124 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.979 -18.488 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.406 -16.818 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.166 -15.692 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.520 -15.333 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.839 -16.007 -1.443 1.00 0.00 H new ATOM 826 N ASP A 53 -13.124 -19.556 -3.167 1.00 0.00 N ATOM 827 CA ASP A 53 -14.414 -19.942 -3.732 1.00 0.00 C ATOM 828 C ASP A 53 -15.529 -19.737 -2.716 1.00 0.00 C ATOM 829 O ASP A 53 -16.620 -19.273 -3.056 1.00 0.00 O ATOM 830 CB ASP A 53 -14.395 -21.398 -4.193 1.00 0.00 C ATOM 831 CG ASP A 53 -15.753 -21.853 -4.688 1.00 0.00 C ATOM 832 OD1 ASP A 53 -16.107 -21.536 -5.846 1.00 0.00 O ATOM 833 OD2 ASP A 53 -16.476 -22.527 -3.923 1.00 0.00 O ATOM 0 H ASP A 53 -12.464 -20.325 -3.052 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.602 -19.305 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.660 -21.517 -4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.077 -22.036 -3.368 1.00 0.00 H new ATOM 838 N HIS A 54 -15.250 -20.080 -1.467 1.00 0.00 N ATOM 839 CA HIS A 54 -16.209 -19.885 -0.392 1.00 0.00 C ATOM 840 C HIS A 54 -16.522 -18.400 -0.227 1.00 0.00 C ATOM 841 O HIS A 54 -17.680 -18.017 -0.074 1.00 0.00 O ATOM 842 CB HIS A 54 -15.673 -20.468 0.916 1.00 0.00 C ATOM 843 CG HIS A 54 -16.606 -20.288 2.064 1.00 0.00 C ATOM 844 ND1 HIS A 54 -17.699 -21.100 2.238 1.00 0.00 N ATOM 845 CD2 HIS A 54 -16.579 -19.361 3.042 1.00 0.00 C ATOM 846 CE1 HIS A 54 -18.315 -20.646 3.313 1.00 0.00 C ATOM 847 NE2 HIS A 54 -17.672 -19.593 3.835 1.00 0.00 N ATOM 0 H HIS A 54 -14.366 -20.495 -1.174 1.00 0.00 H new ATOM 0 HA HIS A 54 -17.130 -20.408 -0.648 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -15.477 -21.531 0.779 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -14.720 -19.996 1.153 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.839 -18.586 3.175 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -19.222 -21.069 3.720 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -17.944 -19.065 4.664 1.00 0.00 H new ATOM 855 N ILE A 55 -15.478 -17.575 -0.263 1.00 0.00 N ATOM 856 CA ILE A 55 -15.634 -16.123 -0.217 1.00 0.00 C ATOM 857 C ILE A 55 -16.652 -15.653 -1.257 1.00 0.00 C ATOM 858 O ILE A 55 -17.567 -14.889 -0.941 1.00 0.00 O ATOM 859 CB ILE A 55 -14.282 -15.407 -0.448 1.00 0.00 C ATOM 860 CG1 ILE A 55 -13.332 -15.690 0.718 1.00 0.00 C ATOM 861 CG2 ILE A 55 -14.481 -13.905 -0.620 1.00 0.00 C ATOM 862 CD1 ILE A 55 -11.949 -15.097 0.540 1.00 0.00 C ATOM 0 H ILE A 55 -14.510 -17.890 -0.324 1.00 0.00 H new ATOM 0 HA ILE A 55 -15.998 -15.865 0.777 1.00 0.00 H new ATOM 0 HB ILE A 55 -13.841 -15.795 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.770 -15.296 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.241 -16.769 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -13.515 -13.426 -0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -15.126 -13.719 -1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -14.945 -13.494 0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.334 -15.340 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.489 -15.509 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.027 -14.014 0.443 1.00 0.00 H new ATOM 874 N LYS A 56 -16.501 -16.128 -2.492 1.00 0.00 N ATOM 875 CA LYS A 56 -17.436 -15.790 -3.559 1.00 0.00 C ATOM 876 C LYS A 56 -18.840 -16.268 -3.220 1.00 0.00 C ATOM 877 O LYS A 56 -19.816 -15.547 -3.420 1.00 0.00 O ATOM 878 CB LYS A 56 -17.006 -16.419 -4.882 1.00 0.00 C ATOM 879 CG LYS A 56 -17.930 -16.068 -6.038 1.00 0.00 C ATOM 880 CD LYS A 56 -17.572 -16.831 -7.300 1.00 0.00 C ATOM 881 CE LYS A 56 -18.484 -16.455 -8.459 1.00 0.00 C ATOM 882 NZ LYS A 56 -19.921 -16.680 -8.141 1.00 0.00 N ATOM 0 H LYS A 56 -15.741 -16.746 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 56 -17.436 -14.705 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.994 -16.092 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.972 -17.502 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -18.960 -16.290 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.876 -14.997 -6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.536 -16.624 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.645 -17.902 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.330 -15.407 -8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.212 -17.040 -9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -20.414 -17.025 -8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -20.002 -17.386 -7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -20.352 -15.786 -7.830 1.00 0.00 H new ATOM 896 N SER A 57 -18.925 -17.490 -2.711 1.00 0.00 N ATOM 897 CA SER A 57 -20.201 -18.102 -2.375 1.00 0.00 C ATOM 898 C SER A 57 -20.976 -17.239 -1.376 1.00 0.00 C ATOM 899 O SER A 57 -22.181 -17.027 -1.531 1.00 0.00 O ATOM 900 CB SER A 57 -19.965 -19.505 -1.808 1.00 0.00 C ATOM 901 OG SER A 57 -19.158 -20.279 -2.689 1.00 0.00 O ATOM 0 H SER A 57 -18.116 -18.081 -2.521 1.00 0.00 H new ATOM 0 HA SER A 57 -20.802 -18.180 -3.281 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.480 -19.432 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.921 -20.004 -1.651 1.00 0.00 H new ATOM 0 HG SER A 57 -18.232 -19.959 -2.651 1.00 0.00 H new ATOM 907 N GLU A 58 -20.278 -16.739 -0.364 1.00 0.00 N ATOM 908 CA GLU A 58 -20.879 -15.859 0.619 1.00 0.00 C ATOM 909 C GLU A 58 -21.216 -14.497 0.005 1.00 0.00 C ATOM 910 O GLU A 58 -22.318 -13.978 0.193 1.00 0.00 O ATOM 911 CB GLU A 58 -19.937 -15.690 1.811 1.00 0.00 C ATOM 912 CG GLU A 58 -19.565 -17.003 2.483 1.00 0.00 C ATOM 913 CD GLU A 58 -20.779 -17.813 2.892 1.00 0.00 C ATOM 914 OE1 GLU A 58 -21.452 -17.428 3.869 1.00 0.00 O ATOM 915 OE2 GLU A 58 -21.064 -18.841 2.237 1.00 0.00 O ATOM 0 H GLU A 58 -19.289 -16.932 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 58 -21.810 -16.310 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.027 -15.192 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -20.407 -15.036 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.951 -17.594 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.957 -16.797 3.364 1.00 0.00 H new ATOM 922 N LEU A 59 -20.276 -13.932 -0.746 1.00 0.00 N ATOM 923 CA LEU A 59 -20.471 -12.622 -1.370 1.00 0.00 C ATOM 924 C LEU A 59 -21.661 -12.625 -2.327 1.00 0.00 C ATOM 925 O LEU A 59 -22.378 -11.627 -2.438 1.00 0.00 O ATOM 926 CB LEU A 59 -19.211 -12.192 -2.125 1.00 0.00 C ATOM 927 CG LEU A 59 -18.030 -11.786 -1.246 1.00 0.00 C ATOM 928 CD1 LEU A 59 -16.804 -11.508 -2.102 1.00 0.00 C ATOM 929 CD2 LEU A 59 -18.386 -10.563 -0.412 1.00 0.00 C ATOM 0 H LEU A 59 -19.370 -14.359 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 59 -20.675 -11.911 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -18.897 -13.012 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -19.465 -11.354 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 59 -17.800 -12.610 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.971 -11.220 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -16.539 -12.406 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.023 -10.699 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -17.534 -10.286 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -18.639 -9.733 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -19.240 -10.793 0.225 1.00 0.00 H new ATOM 941 N ASP A 60 -21.869 -13.752 -2.998 1.00 0.00 N ATOM 942 CA ASP A 60 -22.935 -13.884 -3.990 1.00 0.00 C ATOM 943 C ASP A 60 -24.314 -13.817 -3.339 1.00 0.00 C ATOM 944 O ASP A 60 -25.291 -13.438 -3.983 1.00 0.00 O ATOM 945 CB ASP A 60 -22.787 -15.201 -4.762 1.00 0.00 C ATOM 946 CG ASP A 60 -22.716 -14.995 -6.263 1.00 0.00 C ATOM 947 OD1 ASP A 60 -23.778 -14.824 -6.900 1.00 0.00 O ATOM 948 OD2 ASP A 60 -21.598 -15.010 -6.822 1.00 0.00 O ATOM 0 H ASP A 60 -21.309 -14.595 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 60 -22.845 -13.048 -4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -21.886 -15.714 -4.427 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -23.630 -15.851 -4.528 1.00 0.00 H new ATOM 953 N LYS A 61 -24.393 -14.183 -2.061 1.00 0.00 N ATOM 954 CA LYS A 61 -25.657 -14.123 -1.330 1.00 0.00 C ATOM 955 C LYS A 61 -26.086 -12.676 -1.120 1.00 0.00 C ATOM 956 O LYS A 61 -27.273 -12.371 -1.013 1.00 0.00 O ATOM 957 CB LYS A 61 -25.531 -14.783 0.042 1.00 0.00 C ATOM 958 CG LYS A 61 -24.902 -16.163 0.034 1.00 0.00 C ATOM 959 CD LYS A 61 -24.744 -16.677 1.455 1.00 0.00 C ATOM 960 CE LYS A 61 -23.881 -17.922 1.522 1.00 0.00 C ATOM 961 NZ LYS A 61 -24.508 -19.088 0.852 1.00 0.00 N ATOM 0 H LYS A 61 -23.602 -14.522 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 61 -26.399 -14.654 -1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -24.939 -14.134 0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -26.524 -14.855 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -25.522 -16.850 -0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -23.929 -16.124 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -24.302 -15.897 2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -25.727 -16.896 1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -22.916 -17.716 1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -23.686 -18.169 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -23.878 -19.912 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -25.416 -19.305 1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -24.670 -18.866 -0.151 1.00 0.00 H new ATOM 975 N CYS A 62 -25.108 -11.790 -1.051 1.00 0.00 N ATOM 976 CA CYS A 62 -25.365 -10.402 -0.716 1.00 0.00 C ATOM 977 C CYS A 62 -25.652 -9.585 -1.968 1.00 0.00 C ATOM 978 O CYS A 62 -24.746 -9.007 -2.568 1.00 0.00 O ATOM 979 CB CYS A 62 -24.167 -9.819 0.033 1.00 0.00 C ATOM 980 SG CYS A 62 -23.411 -10.973 1.226 1.00 0.00 S ATOM 0 H CYS A 62 -24.127 -12.009 -1.223 1.00 0.00 H new ATOM 0 HA CYS A 62 -26.245 -10.358 -0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -23.412 -9.513 -0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -24.484 -8.920 0.562 1.00 0.00 H new ATOM 985 N ASN A 63 -26.917 -9.556 -2.365 1.00 0.00 N ATOM 986 CA ASN A 63 -27.346 -8.784 -3.514 1.00 0.00 C ATOM 987 C ASN A 63 -28.689 -8.134 -3.206 1.00 0.00 C ATOM 988 O ASN A 63 -29.727 -8.783 -3.166 1.00 0.00 O ATOM 989 CB ASN A 63 -27.402 -9.647 -4.792 1.00 0.00 C ATOM 990 CG ASN A 63 -28.317 -10.856 -4.689 1.00 0.00 C ATOM 991 OD1 ASN A 63 -29.493 -10.796 -5.056 1.00 0.00 O ATOM 992 ND2 ASN A 63 -27.783 -11.970 -4.213 1.00 0.00 N ATOM 0 H ASN A 63 -27.668 -10.066 -1.900 1.00 0.00 H new ATOM 0 HA ASN A 63 -26.614 -8.001 -3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -27.734 -9.024 -5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -26.395 -9.987 -5.031 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -28.348 -12.816 -4.140 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -26.806 -11.982 -3.919 1.00 0.00 H new ATOM 999 N GLY A 64 -28.632 -6.849 -2.934 1.00 0.00 N ATOM 1000 CA GLY A 64 -29.801 -6.100 -2.530 1.00 0.00 C ATOM 1001 C GLY A 64 -29.406 -4.747 -1.980 1.00 0.00 C ATOM 1002 O GLY A 64 -28.288 -4.287 -2.222 1.00 0.00 O ATOM 0 H GLY A 64 -27.777 -6.295 -2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -30.469 -5.971 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -30.353 -6.658 -1.774 1.00 0.00 H new ATOM 1006 N ASN A 65 -30.289 -4.120 -1.218 1.00 0.00 N ATOM 1007 CA ASN A 65 -30.022 -2.782 -0.694 1.00 0.00 C ATOM 1008 C ASN A 65 -28.924 -2.801 0.373 1.00 0.00 C ATOM 1009 O ASN A 65 -28.208 -1.817 0.547 1.00 0.00 O ATOM 1010 CB ASN A 65 -31.302 -2.145 -0.133 1.00 0.00 C ATOM 1011 CG ASN A 65 -31.857 -2.873 1.080 1.00 0.00 C ATOM 1012 OD1 ASN A 65 -32.628 -3.823 0.949 1.00 0.00 O ATOM 1013 ND2 ASN A 65 -31.485 -2.422 2.268 1.00 0.00 N ATOM 0 H ASN A 65 -31.192 -4.510 -0.948 1.00 0.00 H new ATOM 0 HA ASN A 65 -29.668 -2.175 -1.527 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -31.095 -1.109 0.137 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -32.062 -2.125 -0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -31.840 -2.865 3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -30.844 -1.632 2.336 1.00 0.00 H new ATOM 1020 N ASP A 66 -28.780 -3.926 1.068 1.00 0.00 N ATOM 1021 CA ASP A 66 -27.773 -4.052 2.127 1.00 0.00 C ATOM 1022 C ASP A 66 -26.471 -4.645 1.596 1.00 0.00 C ATOM 1023 O ASP A 66 -25.514 -4.820 2.348 1.00 0.00 O ATOM 1024 CB ASP A 66 -28.288 -4.932 3.272 1.00 0.00 C ATOM 1025 CG ASP A 66 -29.169 -4.183 4.250 1.00 0.00 C ATOM 1026 OD1 ASP A 66 -30.385 -4.459 4.299 1.00 0.00 O ATOM 1027 OD2 ASP A 66 -28.644 -3.328 4.994 1.00 0.00 O ATOM 0 H ASP A 66 -29.344 -4.763 0.921 1.00 0.00 H new ATOM 0 HA ASP A 66 -27.579 -3.046 2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -28.849 -5.768 2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -27.438 -5.354 3.808 1.00 0.00 H new ATOM 1032 N ALA A 67 -26.433 -4.938 0.298 1.00 0.00 N ATOM 1033 CA ALA A 67 -25.297 -5.640 -0.302 1.00 0.00 C ATOM 1034 C ALA A 67 -23.978 -4.929 -0.041 1.00 0.00 C ATOM 1035 O ALA A 67 -22.982 -5.572 0.291 1.00 0.00 O ATOM 1036 CB ALA A 67 -25.508 -5.805 -1.795 1.00 0.00 C ATOM 0 H ALA A 67 -27.175 -4.701 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 67 -25.241 -6.621 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -24.655 -6.329 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -26.416 -6.381 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -25.605 -4.824 -2.259 1.00 0.00 H new ATOM 1042 N ASP A 68 -23.983 -3.607 -0.188 1.00 0.00 N ATOM 1043 CA ASP A 68 -22.784 -2.793 0.020 1.00 0.00 C ATOM 1044 C ASP A 68 -22.181 -3.054 1.390 1.00 0.00 C ATOM 1045 O ASP A 68 -20.979 -3.297 1.530 1.00 0.00 O ATOM 1046 CB ASP A 68 -23.134 -1.309 -0.084 1.00 0.00 C ATOM 1047 CG ASP A 68 -21.925 -0.407 0.070 1.00 0.00 C ATOM 1048 OD1 ASP A 68 -21.338 -0.011 -0.958 1.00 0.00 O ATOM 1049 OD2 ASP A 68 -21.569 -0.076 1.217 1.00 0.00 O ATOM 0 H ASP A 68 -24.810 -3.071 -0.452 1.00 0.00 H new ATOM 0 HA ASP A 68 -22.060 -3.063 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -23.603 -1.118 -1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -23.868 -1.059 0.682 1.00 0.00 H new ATOM 1054 N GLN A 69 -23.040 -3.028 2.393 1.00 0.00 N ATOM 1055 CA GLN A 69 -22.608 -3.134 3.769 1.00 0.00 C ATOM 1056 C GLN A 69 -22.156 -4.552 4.076 1.00 0.00 C ATOM 1057 O GLN A 69 -21.110 -4.756 4.688 1.00 0.00 O ATOM 1058 CB GLN A 69 -23.734 -2.726 4.719 1.00 0.00 C ATOM 1059 CG GLN A 69 -23.235 -2.398 6.111 1.00 0.00 C ATOM 1060 CD GLN A 69 -22.350 -1.170 6.114 1.00 0.00 C ATOM 1061 OE1 GLN A 69 -21.073 -1.360 5.829 1.00 0.00 O flip ATOM 1062 NE2 GLN A 69 -22.816 -0.054 6.333 1.00 0.00 N flip ATOM 0 H GLN A 69 -24.049 -2.933 2.275 1.00 0.00 H new ATOM 0 HA GLN A 69 -21.766 -2.457 3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -24.253 -1.859 4.310 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -24.463 -3.534 4.780 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -24.085 -2.235 6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -22.680 -3.248 6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -23.807 0.051 6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -22.212 0.767 6.298 1.00 0.00 H new ATOM 1071 N GLN A 70 -22.946 -5.519 3.632 1.00 0.00 N ATOM 1072 CA GLN A 70 -22.663 -6.923 3.884 1.00 0.00 C ATOM 1073 C GLN A 70 -21.320 -7.335 3.284 1.00 0.00 C ATOM 1074 O GLN A 70 -20.519 -7.993 3.945 1.00 0.00 O ATOM 1075 CB GLN A 70 -23.784 -7.786 3.318 1.00 0.00 C ATOM 1076 CG GLN A 70 -25.155 -7.464 3.891 1.00 0.00 C ATOM 1077 CD GLN A 70 -25.228 -7.664 5.395 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -24.971 -6.743 6.169 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -25.575 -8.870 5.816 1.00 0.00 N ATOM 0 H GLN A 70 -23.795 -5.354 3.091 1.00 0.00 H new ATOM 0 HA GLN A 70 -22.604 -7.072 4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -23.815 -7.662 2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -23.556 -8.834 3.512 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -25.409 -6.431 3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -25.902 -8.094 3.409 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -25.780 -9.606 5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -25.637 -9.063 6.816 1.00 0.00 H new ATOM 1088 N LYS A 71 -21.069 -6.931 2.038 1.00 0.00 N ATOM 1089 CA LYS A 71 -19.798 -7.235 1.381 1.00 0.00 C ATOM 1090 C LYS A 71 -18.646 -6.580 2.135 1.00 0.00 C ATOM 1091 O LYS A 71 -17.585 -7.176 2.317 1.00 0.00 O ATOM 1092 CB LYS A 71 -19.798 -6.757 -0.076 1.00 0.00 C ATOM 1093 CG LYS A 71 -20.805 -7.467 -0.971 1.00 0.00 C ATOM 1094 CD LYS A 71 -20.759 -6.913 -2.389 1.00 0.00 C ATOM 1095 CE LYS A 71 -21.857 -7.490 -3.273 1.00 0.00 C ATOM 1096 NZ LYS A 71 -21.649 -8.936 -3.580 1.00 0.00 N ATOM 0 H LYS A 71 -21.724 -6.396 1.467 1.00 0.00 H new ATOM 0 HA LYS A 71 -19.669 -8.317 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -20.005 -5.687 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.800 -6.896 -0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -20.593 -8.536 -0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -21.808 -7.347 -0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -20.856 -5.828 -2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -19.787 -7.133 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -22.820 -7.363 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -21.900 -6.927 -4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -22.071 -9.159 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.630 -9.142 -3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -22.101 -9.516 -2.844 1.00 0.00 H new ATOM 1110 N THR A 72 -18.877 -5.355 2.593 1.00 0.00 N ATOM 1111 CA THR A 72 -17.873 -4.617 3.346 1.00 0.00 C ATOM 1112 C THR A 72 -17.559 -5.312 4.674 1.00 0.00 C ATOM 1113 O THR A 72 -16.395 -5.505 5.025 1.00 0.00 O ATOM 1114 CB THR A 72 -18.340 -3.172 3.618 1.00 0.00 C ATOM 1115 OG1 THR A 72 -18.518 -2.473 2.377 1.00 0.00 O ATOM 1116 CG2 THR A 72 -17.342 -2.423 4.487 1.00 0.00 C ATOM 0 H THR A 72 -19.753 -4.852 2.455 1.00 0.00 H new ATOM 0 HA THR A 72 -16.967 -4.589 2.740 1.00 0.00 H new ATOM 0 HB THR A 72 -19.289 -3.221 4.152 1.00 0.00 H new ATOM 0 HG1 THR A 72 -19.357 -2.758 1.959 1.00 0.00 H new ATOM 0 HG21 THR A 72 -17.700 -1.408 4.660 1.00 0.00 H new ATOM 0 HG22 THR A 72 -17.233 -2.937 5.442 1.00 0.00 H new ATOM 0 HG23 THR A 72 -16.376 -2.386 3.983 1.00 0.00 H new ATOM 1124 N THR A 73 -18.600 -5.703 5.398 1.00 0.00 N ATOM 1125 CA THR A 73 -18.432 -6.339 6.696 1.00 0.00 C ATOM 1126 C THR A 73 -17.849 -7.747 6.549 1.00 0.00 C ATOM 1127 O THR A 73 -17.196 -8.259 7.457 1.00 0.00 O ATOM 1128 CB THR A 73 -19.773 -6.388 7.459 1.00 0.00 C ATOM 1129 OG1 THR A 73 -20.303 -5.060 7.575 1.00 0.00 O ATOM 1130 CG2 THR A 73 -19.602 -6.985 8.848 1.00 0.00 C ATOM 0 H THR A 73 -19.571 -5.590 5.107 1.00 0.00 H new ATOM 0 HA THR A 73 -17.728 -5.739 7.272 1.00 0.00 H new ATOM 0 HB THR A 73 -20.460 -7.022 6.898 1.00 0.00 H new ATOM 0 HG1 THR A 73 -20.617 -4.755 6.698 1.00 0.00 H new ATOM 0 HG21 THR A 73 -20.566 -7.004 9.357 1.00 0.00 H new ATOM 0 HG22 THR A 73 -19.217 -8.001 8.762 1.00 0.00 H new ATOM 0 HG23 THR A 73 -18.901 -6.378 9.421 1.00 0.00 H new ATOM 1138 N PHE A 74 -18.051 -8.358 5.387 1.00 0.00 N ATOM 1139 CA PHE A 74 -17.519 -9.689 5.139 1.00 0.00 C ATOM 1140 C PHE A 74 -15.996 -9.647 5.098 1.00 0.00 C ATOM 1141 O PHE A 74 -15.335 -10.614 5.478 1.00 0.00 O ATOM 1142 CB PHE A 74 -18.071 -10.275 3.838 1.00 0.00 C ATOM 1143 CG PHE A 74 -17.700 -11.717 3.629 1.00 0.00 C ATOM 1144 CD1 PHE A 74 -17.153 -12.143 2.430 1.00 0.00 C ATOM 1145 CD2 PHE A 74 -17.903 -12.651 4.635 1.00 0.00 C ATOM 1146 CE1 PHE A 74 -16.819 -13.469 2.236 1.00 0.00 C ATOM 1147 CE2 PHE A 74 -17.569 -13.978 4.447 1.00 0.00 C ATOM 1148 CZ PHE A 74 -17.027 -14.388 3.245 1.00 0.00 C ATOM 0 H PHE A 74 -18.575 -7.956 4.609 1.00 0.00 H new ATOM 0 HA PHE A 74 -17.835 -10.337 5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -19.157 -10.183 3.839 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -17.702 -9.687 2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -16.986 -11.429 1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -18.328 -12.336 5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -16.395 -13.787 1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -17.732 -14.694 5.239 1.00 0.00 H new ATOM 0 HZ PHE A 74 -16.766 -15.425 3.095 1.00 0.00 H new ATOM 1158 N LYS A 75 -15.444 -8.517 4.657 1.00 0.00 N ATOM 1159 CA LYS A 75 -14.004 -8.308 4.683 1.00 0.00 C ATOM 1160 C LYS A 75 -13.477 -8.493 6.103 1.00 0.00 C ATOM 1161 O LYS A 75 -12.421 -9.084 6.316 1.00 0.00 O ATOM 1162 CB LYS A 75 -13.661 -6.902 4.188 1.00 0.00 C ATOM 1163 CG LYS A 75 -14.105 -6.617 2.762 1.00 0.00 C ATOM 1164 CD LYS A 75 -13.846 -5.169 2.384 1.00 0.00 C ATOM 1165 CE LYS A 75 -14.079 -4.924 0.903 1.00 0.00 C ATOM 1166 NZ LYS A 75 -13.853 -3.499 0.539 1.00 0.00 N ATOM 0 H LYS A 75 -15.976 -7.734 4.278 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.535 -9.039 4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.123 -6.172 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.583 -6.758 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.574 -7.275 2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.167 -6.838 2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.498 -4.519 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.820 -4.904 2.640 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.412 -5.559 0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.098 -5.209 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.021 -3.370 -0.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.507 -2.895 1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.873 -3.234 0.764 1.00 0.00 H new ATOM 1180 N GLN A 76 -14.248 -8.002 7.064 1.00 0.00 N ATOM 1181 CA GLN A 76 -13.895 -8.072 8.465 1.00 0.00 C ATOM 1182 C GLN A 76 -14.010 -9.506 8.973 1.00 0.00 C ATOM 1183 O GLN A 76 -13.179 -9.970 9.753 1.00 0.00 O ATOM 1184 CB GLN A 76 -14.833 -7.157 9.244 1.00 0.00 C ATOM 1185 CG GLN A 76 -14.903 -5.744 8.685 1.00 0.00 C ATOM 1186 CD GLN A 76 -15.978 -4.899 9.340 1.00 0.00 C ATOM 1187 OE1 GLN A 76 -16.579 -4.038 8.699 1.00 0.00 O ATOM 1188 NE2 GLN A 76 -16.219 -5.123 10.621 1.00 0.00 N ATOM 0 H GLN A 76 -15.141 -7.542 6.886 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.863 -7.750 8.603 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.833 -7.590 9.244 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.505 -7.113 10.283 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.936 -5.259 8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.090 -5.793 7.612 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.700 -5.846 11.119 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.924 -4.573 11.111 1.00 0.00 H new ATOM 1197 N THR A 77 -15.050 -10.198 8.519 1.00 0.00 N ATOM 1198 CA THR A 77 -15.258 -11.595 8.865 1.00 0.00 C ATOM 1199 C THR A 77 -14.083 -12.453 8.389 1.00 0.00 C ATOM 1200 O THR A 77 -13.536 -13.256 9.148 1.00 0.00 O ATOM 1201 CB THR A 77 -16.563 -12.125 8.237 1.00 0.00 C ATOM 1202 OG1 THR A 77 -17.668 -11.289 8.616 1.00 0.00 O ATOM 1203 CG2 THR A 77 -16.836 -13.558 8.669 1.00 0.00 C ATOM 0 H THR A 77 -15.766 -9.808 7.906 1.00 0.00 H new ATOM 0 HA THR A 77 -15.331 -11.659 9.951 1.00 0.00 H new ATOM 0 HB THR A 77 -16.447 -12.107 7.153 1.00 0.00 H new ATOM 0 HG1 THR A 77 -18.492 -11.632 8.211 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.762 -13.906 8.211 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.012 -14.197 8.352 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.930 -13.599 9.754 1.00 0.00 H new ATOM 1211 N VAL A 78 -13.693 -12.262 7.132 1.00 0.00 N ATOM 1212 CA VAL A 78 -12.585 -13.003 6.550 1.00 0.00 C ATOM 1213 C VAL A 78 -11.270 -12.680 7.272 1.00 0.00 C ATOM 1214 O VAL A 78 -10.415 -13.550 7.441 1.00 0.00 O ATOM 1215 CB VAL A 78 -12.449 -12.708 5.039 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -11.327 -13.520 4.424 1.00 0.00 C ATOM 1217 CG2 VAL A 78 -13.755 -12.990 4.316 1.00 0.00 C ATOM 0 H VAL A 78 -14.132 -11.596 6.496 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.798 -14.065 6.675 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.209 -11.651 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.254 -13.293 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.386 -13.270 4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.533 -14.582 4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.637 -12.776 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.024 -14.038 4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.543 -12.359 4.728 1.00 0.00 H new ATOM 1227 N GLN A 79 -11.131 -11.432 7.727 1.00 0.00 N ATOM 1228 CA GLN A 79 -9.963 -11.014 8.495 1.00 0.00 C ATOM 1229 C GLN A 79 -9.764 -11.901 9.719 1.00 0.00 C ATOM 1230 O GLN A 79 -8.636 -12.241 10.076 1.00 0.00 O ATOM 1231 CB GLN A 79 -10.116 -9.566 8.950 1.00 0.00 C ATOM 1232 CG GLN A 79 -9.806 -8.532 7.884 1.00 0.00 C ATOM 1233 CD GLN A 79 -9.965 -7.117 8.403 1.00 0.00 C ATOM 1234 OE1 GLN A 79 -9.794 -6.859 9.594 1.00 0.00 O ATOM 1235 NE2 GLN A 79 -10.271 -6.188 7.515 1.00 0.00 N ATOM 0 H GLN A 79 -11.818 -10.693 7.574 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.092 -11.105 7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.138 -9.415 9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.460 -9.396 9.804 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.786 -8.675 7.526 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.467 -8.682 7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.405 -6.442 6.536 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.373 -5.216 7.808 1.00 0.00 H new ATOM 1244 N GLY A 80 -10.867 -12.278 10.353 1.00 0.00 N ATOM 1245 CA GLY A 80 -10.794 -13.085 11.556 1.00 0.00 C ATOM 1246 C GLY A 80 -10.783 -14.576 11.269 1.00 0.00 C ATOM 1247 O GLY A 80 -10.851 -15.391 12.189 1.00 0.00 O ATOM 0 H GLY A 80 -11.813 -12.039 10.055 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.894 -12.820 12.111 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.644 -12.850 12.197 1.00 0.00 H new ATOM 1251 N ALA A 81 -10.703 -14.935 9.997 1.00 0.00 N ATOM 1252 CA ALA A 81 -10.665 -16.334 9.605 1.00 0.00 C ATOM 1253 C ALA A 81 -9.230 -16.796 9.370 1.00 0.00 C ATOM 1254 O ALA A 81 -8.766 -17.748 9.991 1.00 0.00 O ATOM 1255 CB ALA A 81 -11.519 -16.559 8.367 1.00 0.00 C ATOM 0 H ALA A 81 -10.663 -14.276 9.219 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.076 -16.931 10.419 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.481 -17.611 8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.550 -16.278 8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.139 -15.950 7.547 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.523 -16.099 8.487 1.00 0.00 N ATOM 1262 CA LEU A 82 -7.168 -16.477 8.101 1.00 0.00 C ATOM 1263 C LEU A 82 -6.125 -15.845 9.018 1.00 0.00 C ATOM 1264 O LEU A 82 -4.970 -15.671 8.633 1.00 0.00 O ATOM 1265 CB LEU A 82 -6.912 -16.065 6.653 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.935 -16.597 5.653 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.240 -18.062 5.916 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -9.186 -15.751 5.658 1.00 0.00 C ATOM 0 H LEU A 82 -8.870 -15.261 8.021 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.079 -17.559 8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.898 -14.977 6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.921 -16.412 6.360 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.504 -16.530 4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.971 -18.417 5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.324 -18.646 5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.643 -18.175 6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.899 -16.151 4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.630 -15.764 6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.933 -14.726 5.387 1.00 0.00 H new ATOM 1280 N SER A 83 -6.538 -15.517 10.234 1.00 0.00 N ATOM 1281 CA SER A 83 -5.633 -14.960 11.227 1.00 0.00 C ATOM 1282 C SER A 83 -4.569 -15.989 11.601 1.00 0.00 C ATOM 1283 O SER A 83 -3.407 -15.648 11.842 1.00 0.00 O ATOM 1284 CB SER A 83 -6.417 -14.540 12.470 1.00 0.00 C ATOM 1285 OG SER A 83 -7.470 -13.653 12.132 1.00 0.00 O ATOM 0 H SER A 83 -7.499 -15.628 10.557 1.00 0.00 H new ATOM 0 HA SER A 83 -5.142 -14.083 10.806 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.825 -15.423 12.962 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.746 -14.059 13.182 1.00 0.00 H new ATOM 0 HG SER A 83 -7.378 -13.378 11.196 1.00 0.00 H new ATOM 1291 N GLY A 84 -4.980 -17.249 11.629 1.00 0.00 N ATOM 1292 CA GLY A 84 -4.074 -18.321 11.971 1.00 0.00 C ATOM 1293 C GLY A 84 -4.700 -19.680 11.759 1.00 0.00 C ATOM 1294 O GLY A 84 -5.044 -20.373 12.718 1.00 0.00 O ATOM 0 H GLY A 84 -5.933 -17.547 11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.171 -18.239 11.366 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.770 -18.220 13.013 1.00 0.00 H new ATOM 1298 N GLY A 85 -4.862 -20.058 10.503 1.00 0.00 N ATOM 1299 CA GLY A 85 -5.436 -21.346 10.194 1.00 0.00 C ATOM 1300 C GLY A 85 -6.473 -21.258 9.107 1.00 0.00 C ATOM 1301 O GLY A 85 -7.565 -20.737 9.317 1.00 0.00 O ATOM 0 H GLY A 85 -4.606 -19.495 9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.645 -22.030 9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.888 -21.766 11.093 1.00 0.00 H new ATOM 1305 N ILE A 86 -6.127 -21.763 7.942 1.00 0.00 N ATOM 1306 CA ILE A 86 -7.030 -21.739 6.809 1.00 0.00 C ATOM 1307 C ILE A 86 -7.871 -23.012 6.761 1.00 0.00 C ATOM 1308 O ILE A 86 -8.954 -23.035 6.178 1.00 0.00 O ATOM 1309 CB ILE A 86 -6.244 -21.569 5.497 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -7.187 -21.256 4.335 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -5.424 -22.816 5.202 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.467 -20.938 3.044 1.00 0.00 C ATOM 0 H ILE A 86 -5.223 -22.197 7.753 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.701 -20.888 6.926 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.561 -20.727 5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.847 -22.108 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.819 -20.411 4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.875 -22.678 4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.720 -22.990 6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.089 -23.675 5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.197 -20.726 2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.828 -20.067 3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.857 -21.791 2.748 1.00 0.00 H new ATOM 1324 N ASP A 87 -7.373 -24.071 7.389 1.00 0.00 N ATOM 1325 CA ASP A 87 -8.105 -25.324 7.437 1.00 0.00 C ATOM 1326 C ASP A 87 -9.190 -25.226 8.495 1.00 0.00 C ATOM 1327 O ASP A 87 -8.916 -25.291 9.695 1.00 0.00 O ATOM 1328 CB ASP A 87 -7.176 -26.500 7.732 1.00 0.00 C ATOM 1329 CG ASP A 87 -7.850 -27.836 7.489 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -8.178 -28.132 6.319 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -8.035 -28.604 8.454 1.00 0.00 O ATOM 0 H ASP A 87 -6.472 -24.084 7.867 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.558 -25.503 6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.287 -26.424 7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.842 -26.446 8.768 1.00 0.00 H new ATOM 1336 N GLY A 88 -10.413 -25.041 8.036 1.00 0.00 N ATOM 1337 CA GLY A 88 -11.515 -24.743 8.920 1.00 0.00 C ATOM 1338 C GLY A 88 -12.267 -23.525 8.430 1.00 0.00 C ATOM 1339 O GLY A 88 -13.350 -23.205 8.920 1.00 0.00 O ATOM 0 H GLY A 88 -10.666 -25.093 7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.189 -25.598 8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.143 -24.567 9.929 1.00 0.00 H new ATOM 1343 N PHE A 89 -11.668 -22.843 7.454 1.00 0.00 N ATOM 1344 CA PHE A 89 -12.313 -21.724 6.788 1.00 0.00 C ATOM 1345 C PHE A 89 -13.511 -22.241 6.010 1.00 0.00 C ATOM 1346 O PHE A 89 -13.366 -23.027 5.070 1.00 0.00 O ATOM 1347 CB PHE A 89 -11.329 -21.018 5.845 1.00 0.00 C ATOM 1348 CG PHE A 89 -11.862 -19.768 5.191 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -12.813 -19.840 4.184 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -11.393 -18.520 5.569 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -13.285 -18.696 3.572 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -11.863 -17.373 4.959 1.00 0.00 C ATOM 1353 CZ PHE A 89 -12.808 -17.462 3.960 1.00 0.00 C ATOM 0 H PHE A 89 -10.731 -23.052 7.109 1.00 0.00 H new ATOM 0 HA PHE A 89 -12.643 -20.999 7.532 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -10.431 -20.762 6.407 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -11.029 -21.719 5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -13.189 -20.804 3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -10.651 -18.443 6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -14.027 -18.768 2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -11.490 -16.407 5.265 1.00 0.00 H new ATOM 0 HZ PHE A 89 -13.175 -16.566 3.481 1.00 0.00 H new ATOM 1363 N GLY A 90 -14.685 -21.811 6.417 1.00 0.00 N ATOM 1364 CA GLY A 90 -15.899 -22.245 5.773 1.00 0.00 C ATOM 1365 C GLY A 90 -17.108 -21.614 6.412 1.00 0.00 C ATOM 1366 O GLY A 90 -17.006 -20.541 7.006 1.00 0.00 O ATOM 0 H GLY A 90 -14.822 -21.161 7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -15.866 -21.985 4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.978 -23.331 5.832 1.00 0.00 H new ATOM 1370 N SER A 91 -18.240 -22.298 6.342 1.00 0.00 N ATOM 1371 CA SER A 91 -19.495 -21.765 6.852 1.00 0.00 C ATOM 1372 C SER A 91 -19.545 -21.811 8.383 1.00 0.00 C ATOM 1373 O SER A 91 -20.604 -21.639 8.989 1.00 0.00 O ATOM 1374 CB SER A 91 -20.664 -22.547 6.247 1.00 0.00 C ATOM 1375 OG SER A 91 -20.485 -23.946 6.415 1.00 0.00 O ATOM 0 H SER A 91 -18.315 -23.230 5.934 1.00 0.00 H new ATOM 0 HA SER A 91 -19.571 -20.718 6.559 1.00 0.00 H new ATOM 0 HB2 SER A 91 -21.596 -22.237 6.720 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.752 -22.313 5.186 1.00 0.00 H new ATOM 0 HG SER A 91 -21.246 -24.423 6.022 1.00 0.00 H new ATOM 1381 N ASN A 92 -18.395 -22.040 8.999 1.00 0.00 N ATOM 1382 CA ASN A 92 -18.298 -22.076 10.449 1.00 0.00 C ATOM 1383 C ASN A 92 -17.760 -20.755 10.979 1.00 0.00 C ATOM 1384 O ASN A 92 -18.236 -20.243 11.991 1.00 0.00 O ATOM 1385 CB ASN A 92 -17.383 -23.217 10.903 1.00 0.00 C ATOM 1386 CG ASN A 92 -17.797 -24.560 10.338 1.00 0.00 C ATOM 1387 OD1 ASN A 92 -17.351 -24.955 9.263 1.00 0.00 O ATOM 1388 ND2 ASN A 92 -18.651 -25.274 11.055 1.00 0.00 N ATOM 0 H ASN A 92 -17.513 -22.204 8.514 1.00 0.00 H new ATOM 0 HA ASN A 92 -19.298 -22.243 10.848 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.359 -22.999 10.598 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.387 -23.269 11.992 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -18.961 -26.186 10.719 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -18.999 -24.912 11.943 1.00 0.00 H new ATOM 1395 N ASN A 93 -16.778 -20.192 10.282 1.00 0.00 N ATOM 1396 CA ASN A 93 -16.097 -18.996 10.761 1.00 0.00 C ATOM 1397 C ASN A 93 -16.242 -17.829 9.787 1.00 0.00 C ATOM 1398 O ASN A 93 -15.952 -16.685 10.135 1.00 0.00 O ATOM 1399 CB ASN A 93 -14.611 -19.296 11.000 1.00 0.00 C ATOM 1400 CG ASN A 93 -13.864 -19.669 9.729 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -14.440 -20.205 8.778 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -12.569 -19.399 9.710 1.00 0.00 N ATOM 0 H ASN A 93 -16.438 -20.544 9.387 1.00 0.00 H new ATOM 0 HA ASN A 93 -16.567 -18.704 11.700 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.138 -18.422 11.449 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.522 -20.111 11.718 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.011 -19.635 8.889 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.129 -18.955 10.516 1.00 0.00 H new ATOM 1409 N ALA A 94 -16.687 -18.114 8.570 1.00 0.00 N ATOM 1410 CA ALA A 94 -16.861 -17.078 7.561 1.00 0.00 C ATOM 1411 C ALA A 94 -18.187 -17.252 6.832 1.00 0.00 C ATOM 1412 O ALA A 94 -18.301 -18.071 5.923 1.00 0.00 O ATOM 1413 CB ALA A 94 -15.698 -17.094 6.574 1.00 0.00 C ATOM 0 H ALA A 94 -16.934 -19.053 8.258 1.00 0.00 H new ATOM 0 HA ALA A 94 -16.874 -16.110 8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.844 -16.314 5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -14.765 -16.915 7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.653 -18.065 6.081 1.00 0.00 H new ATOM 1419 N VAL A 95 -19.198 -16.502 7.249 1.00 0.00 N ATOM 1420 CA VAL A 95 -20.506 -16.568 6.615 1.00 0.00 C ATOM 1421 C VAL A 95 -21.088 -15.185 6.419 1.00 0.00 C ATOM 1422 O VAL A 95 -20.885 -14.291 7.248 1.00 0.00 O ATOM 1423 CB VAL A 95 -21.513 -17.401 7.435 1.00 0.00 C ATOM 1424 CG1 VAL A 95 -21.244 -18.886 7.278 1.00 0.00 C ATOM 1425 CG2 VAL A 95 -21.471 -17.004 8.903 1.00 0.00 C ATOM 0 H VAL A 95 -19.137 -15.841 8.024 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.347 -17.051 5.651 1.00 0.00 H new ATOM 0 HB VAL A 95 -22.512 -17.194 7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.967 -19.451 7.866 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.334 -19.163 6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.237 -19.112 7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -22.189 -17.604 9.463 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -20.469 -17.175 9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -21.725 -15.949 9.002 1.00 0.00 H new ATOM 1435 N THR A 96 -21.795 -15.003 5.322 1.00 0.00 N ATOM 1436 CA THR A 96 -22.546 -13.785 5.111 1.00 0.00 C ATOM 1437 C THR A 96 -24.007 -13.982 5.488 1.00 0.00 C ATOM 1438 O THR A 96 -24.721 -14.781 4.877 1.00 0.00 O ATOM 1439 CB THR A 96 -22.462 -13.308 3.655 1.00 0.00 C ATOM 1440 OG1 THR A 96 -22.739 -14.396 2.771 1.00 0.00 O ATOM 1441 CG2 THR A 96 -21.093 -12.725 3.348 1.00 0.00 C ATOM 0 H THR A 96 -21.864 -15.683 4.565 1.00 0.00 H new ATOM 0 HA THR A 96 -22.101 -13.023 5.751 1.00 0.00 H new ATOM 0 HB THR A 96 -23.205 -12.524 3.509 1.00 0.00 H new ATOM 0 HG1 THR A 96 -22.845 -14.057 1.858 1.00 0.00 H new ATOM 0 HG21 THR A 96 -21.062 -12.395 2.310 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.904 -11.875 4.004 1.00 0.00 H new ATOM 0 HG23 THR A 96 -20.329 -13.485 3.510 1.00 0.00 H new ATOM 1449 N THR A 97 -24.445 -13.260 6.501 1.00 0.00 N ATOM 1450 CA THR A 97 -25.845 -13.247 6.891 1.00 0.00 C ATOM 1451 C THR A 97 -26.661 -12.409 5.905 1.00 0.00 C ATOM 1452 O THR A 97 -27.413 -11.516 6.291 1.00 0.00 O ATOM 1453 CB THR A 97 -25.989 -12.681 8.314 1.00 0.00 C ATOM 1454 OG1 THR A 97 -25.236 -11.464 8.428 1.00 0.00 O ATOM 1455 CG2 THR A 97 -25.492 -13.685 9.343 1.00 0.00 C ATOM 0 H THR A 97 -23.845 -12.668 7.076 1.00 0.00 H new ATOM 0 HA THR A 97 -26.224 -14.269 6.877 1.00 0.00 H new ATOM 0 HB THR A 97 -27.043 -12.480 8.503 1.00 0.00 H new ATOM 0 HG1 THR A 97 -25.331 -11.104 9.335 1.00 0.00 H new ATOM 0 HG21 THR A 97 -25.602 -13.266 10.343 1.00 0.00 H new ATOM 0 HG22 THR A 97 -26.076 -14.602 9.268 1.00 0.00 H new ATOM 0 HG23 THR A 97 -24.441 -13.907 9.157 1.00 0.00 H new ATOM 1463 N CYS A 98 -26.509 -12.718 4.626 1.00 0.00 N ATOM 1464 CA CYS A 98 -27.096 -11.919 3.568 1.00 0.00 C ATOM 1465 C CYS A 98 -28.380 -12.536 3.038 1.00 0.00 C ATOM 1466 O CYS A 98 -28.827 -13.589 3.503 1.00 0.00 O ATOM 1467 CB CYS A 98 -26.097 -11.756 2.422 1.00 0.00 C ATOM 1468 SG CYS A 98 -24.586 -10.852 2.881 1.00 0.00 S ATOM 0 H CYS A 98 -25.979 -13.525 4.297 1.00 0.00 H new ATOM 0 HA CYS A 98 -27.341 -10.944 3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -25.819 -12.743 2.052 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -26.585 -11.233 1.600 1.00 0.00 H new