USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 GLN : amide:sc= -0.125 X(o=-0.11,f=-0.24) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 7 SER OG : rot -33:sc= -0.0867 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 0.996 (180deg=0.88) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.2) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= 1.12 (180deg=0.559) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.5) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 0.858 (180deg=0.763) USER MOD Single : A 33 ASN : amide:sc= -0.325 K(o=-0.33,f=-8.9!) USER MOD Single : A 39 LYS NZ :NH3+ -132:sc= -0.613 (180deg=-2.61!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 83:sc= 0.544 USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= 0.916 (180deg=0.0299) USER MOD Single : A 49 LYS NZ :NH3+ -110:sc= 0.546 (180deg=-3.73!) USER MOD Single : A 50 THR OG1 : rot 86:sc= 1.06 USER MOD Single : A 54 HIS : no HD1:sc= 0.753 K(o=0.75,f=-5.6!) USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= 0.665 (180deg=0.521) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= 0.52 (180deg=0.414) USER MOD Single : A 63 ASN : amide:sc= 0.479 K(o=0.48,f=-0.46) USER MOD Single : A 65 ASN : amide:sc= 1.09 K(o=1.1,f=-0.06) USER MOD Single : A 69 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : A 71 LYS NZ :NH3+ -142:sc= 0.737 (180deg=0.0929) USER MOD Single : A 72 THR OG1 : rot 67:sc= 1.12 USER MOD Single : A 73 THR OG1 : rot 66:sc= 1.01 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.561 K(o=-0.56,f=-3.2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.48) USER MOD Single : A 96 THR OG1 : rot -152:sc= 0.595 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 7 4.476 -10.440 -6.981 1.00 0.00 N ATOM 78 CA SER A 7 4.582 -11.140 -5.712 1.00 0.00 C ATOM 79 C SER A 7 3.730 -12.403 -5.677 1.00 0.00 C ATOM 80 O SER A 7 3.154 -12.802 -6.691 1.00 0.00 O ATOM 81 CB SER A 7 4.225 -10.189 -4.569 1.00 0.00 C ATOM 82 OG SER A 7 3.019 -9.499 -4.837 1.00 0.00 O ATOM 0 HA SER A 7 5.614 -11.468 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.127 -10.752 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.033 -9.472 -4.423 1.00 0.00 H new ATOM 0 HG SER A 7 2.938 -9.344 -5.801 1.00 0.00 H new ATOM 88 N LYS A 8 3.663 -13.036 -4.502 1.00 0.00 N ATOM 89 CA LYS A 8 3.013 -14.333 -4.354 1.00 0.00 C ATOM 90 C LYS A 8 1.566 -14.310 -4.819 1.00 0.00 C ATOM 91 O LYS A 8 1.107 -15.263 -5.444 1.00 0.00 O ATOM 92 CB LYS A 8 3.086 -14.824 -2.909 1.00 0.00 C ATOM 93 CG LYS A 8 4.473 -15.278 -2.489 1.00 0.00 C ATOM 94 CD LYS A 8 4.424 -16.046 -1.179 1.00 0.00 C ATOM 95 CE LYS A 8 4.119 -15.140 -0.001 1.00 0.00 C ATOM 96 NZ LYS A 8 5.304 -14.340 0.400 1.00 0.00 N ATOM 0 H LYS A 8 4.055 -12.665 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 8 3.558 -15.027 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.759 -14.024 -2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.388 -15.651 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.904 -15.908 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.126 -14.412 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.664 -16.825 -1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.379 -16.545 -1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.299 -14.470 -0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.784 -15.742 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.011 -13.595 1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.001 -14.959 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.730 -13.905 -0.443 1.00 0.00 H new ATOM 110 N GLU A 9 0.844 -13.232 -4.532 1.00 0.00 N ATOM 111 CA GLU A 9 -0.539 -13.131 -4.967 1.00 0.00 C ATOM 112 C GLU A 9 -0.612 -13.109 -6.490 1.00 0.00 C ATOM 113 O GLU A 9 -1.488 -13.727 -7.087 1.00 0.00 O ATOM 114 CB GLU A 9 -1.233 -11.892 -4.388 1.00 0.00 C ATOM 115 CG GLU A 9 -0.539 -10.583 -4.707 1.00 0.00 C ATOM 116 CD GLU A 9 0.370 -10.118 -3.593 1.00 0.00 C ATOM 117 OE1 GLU A 9 1.342 -10.839 -3.271 1.00 0.00 O ATOM 118 OE2 GLU A 9 0.129 -9.021 -3.053 1.00 0.00 O ATOM 0 H GLU A 9 1.189 -12.428 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.065 -14.009 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.254 -11.851 -4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.300 -12.000 -3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.043 -10.699 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.289 -9.817 -4.902 1.00 0.00 H new ATOM 125 N GLU A 10 0.339 -12.433 -7.122 1.00 0.00 N ATOM 126 CA GLU A 10 0.352 -12.316 -8.558 1.00 0.00 C ATOM 127 C GLU A 10 0.733 -13.636 -9.203 1.00 0.00 C ATOM 128 O GLU A 10 0.315 -13.932 -10.316 1.00 0.00 O ATOM 129 CB GLU A 10 1.322 -11.223 -8.955 1.00 0.00 C ATOM 130 CG GLU A 10 0.772 -9.828 -8.740 1.00 0.00 C ATOM 131 CD GLU A 10 1.814 -8.763 -8.992 1.00 0.00 C ATOM 132 OE1 GLU A 10 1.898 -8.261 -10.129 1.00 0.00 O ATOM 133 OE2 GLU A 10 2.567 -8.436 -8.056 1.00 0.00 O ATOM 0 H GLU A 10 1.110 -11.959 -6.652 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.647 -12.057 -8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.241 -11.336 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.586 -11.344 -10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.078 -9.667 -9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.401 -9.738 -7.719 1.00 0.00 H new ATOM 140 N LEU A 11 1.523 -14.422 -8.490 1.00 0.00 N ATOM 141 CA LEU A 11 1.896 -15.754 -8.946 1.00 0.00 C ATOM 142 C LEU A 11 0.733 -16.719 -8.751 1.00 0.00 C ATOM 143 O LEU A 11 0.479 -17.589 -9.586 1.00 0.00 O ATOM 144 CB LEU A 11 3.116 -16.266 -8.171 1.00 0.00 C ATOM 145 CG LEU A 11 4.344 -15.356 -8.199 1.00 0.00 C ATOM 146 CD1 LEU A 11 5.416 -15.879 -7.257 1.00 0.00 C ATOM 147 CD2 LEU A 11 4.894 -15.246 -9.611 1.00 0.00 C ATOM 0 H LEU A 11 1.921 -14.160 -7.588 1.00 0.00 H new ATOM 0 HA LEU A 11 2.146 -15.695 -10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.825 -16.422 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.398 -17.239 -8.573 1.00 0.00 H new ATOM 0 HG LEU A 11 4.042 -14.363 -7.865 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.283 -15.219 -7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.023 -15.912 -6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.712 -16.882 -7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.768 -14.594 -9.611 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.179 -16.235 -9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.130 -14.829 -10.268 1.00 0.00 H new ATOM 159 N LEU A 12 0.029 -16.549 -7.640 1.00 0.00 N ATOM 160 CA LEU A 12 -1.087 -17.412 -7.284 1.00 0.00 C ATOM 161 C LEU A 12 -2.265 -17.208 -8.231 1.00 0.00 C ATOM 162 O LEU A 12 -2.904 -18.172 -8.648 1.00 0.00 O ATOM 163 CB LEU A 12 -1.519 -17.132 -5.842 1.00 0.00 C ATOM 164 CG LEU A 12 -2.704 -17.956 -5.338 1.00 0.00 C ATOM 165 CD1 LEU A 12 -2.366 -19.435 -5.347 1.00 0.00 C ATOM 166 CD2 LEU A 12 -3.101 -17.509 -3.942 1.00 0.00 C ATOM 0 H LEU A 12 0.216 -15.810 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.760 -18.448 -7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.668 -17.312 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.771 -16.075 -5.755 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.549 -17.794 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.221 -20.006 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.125 -19.747 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.508 -19.616 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.946 -18.104 -3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.259 -17.645 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.383 -16.456 -3.964 1.00 0.00 H new ATOM 178 N ARG A 13 -2.536 -15.954 -8.578 1.00 0.00 N ATOM 179 CA ARG A 13 -3.674 -15.622 -9.432 1.00 0.00 C ATOM 180 C ARG A 13 -3.481 -16.149 -10.851 1.00 0.00 C ATOM 181 O ARG A 13 -4.439 -16.249 -11.613 1.00 0.00 O ATOM 182 CB ARG A 13 -3.926 -14.106 -9.435 1.00 0.00 C ATOM 183 CG ARG A 13 -2.747 -13.278 -9.912 1.00 0.00 C ATOM 184 CD ARG A 13 -2.932 -12.790 -11.339 1.00 0.00 C ATOM 185 NE ARG A 13 -1.725 -12.138 -11.837 1.00 0.00 N ATOM 186 CZ ARG A 13 -1.701 -10.943 -12.432 1.00 0.00 C ATOM 187 NH1 ARG A 13 -2.825 -10.263 -12.644 1.00 0.00 N ATOM 188 NH2 ARG A 13 -0.542 -10.433 -12.835 1.00 0.00 N ATOM 0 H ARG A 13 -1.984 -15.150 -8.281 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.555 -16.114 -9.019 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.785 -13.894 -10.071 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.191 -13.792 -8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.615 -12.422 -9.251 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.836 -13.874 -9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.186 -13.632 -11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.769 -12.093 -11.382 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.838 -12.629 -11.723 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.720 -10.654 -12.351 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.791 -9.351 -13.100 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.323 -10.954 -12.689 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.517 -9.521 -13.290 1.00 0.00 H new ATOM 202 N GLU A 14 -2.248 -16.501 -11.194 1.00 0.00 N ATOM 203 CA GLU A 14 -1.962 -17.104 -12.492 1.00 0.00 C ATOM 204 C GLU A 14 -2.489 -18.536 -12.526 1.00 0.00 C ATOM 205 O GLU A 14 -2.868 -19.053 -13.576 1.00 0.00 O ATOM 206 CB GLU A 14 -0.456 -17.092 -12.769 1.00 0.00 C ATOM 207 CG GLU A 14 0.165 -15.716 -12.630 1.00 0.00 C ATOM 208 CD GLU A 14 1.645 -15.699 -12.940 1.00 0.00 C ATOM 209 OE1 GLU A 14 2.458 -15.878 -12.009 1.00 0.00 O ATOM 210 OE2 GLU A 14 2.008 -15.485 -14.112 1.00 0.00 O ATOM 0 H GLU A 14 -1.432 -16.380 -10.594 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.461 -16.521 -13.266 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.039 -17.778 -12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.275 -17.465 -13.777 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.348 -15.023 -13.297 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.009 -15.354 -11.614 1.00 0.00 H new ATOM 217 N LYS A 15 -2.509 -19.164 -11.356 1.00 0.00 N ATOM 218 CA LYS A 15 -2.996 -20.525 -11.212 1.00 0.00 C ATOM 219 C LYS A 15 -4.439 -20.538 -10.717 1.00 0.00 C ATOM 220 O LYS A 15 -5.014 -21.595 -10.453 1.00 0.00 O ATOM 221 CB LYS A 15 -2.112 -21.267 -10.231 1.00 0.00 C ATOM 222 CG LYS A 15 -0.640 -21.117 -10.539 1.00 0.00 C ATOM 223 CD LYS A 15 0.194 -21.799 -9.486 1.00 0.00 C ATOM 224 CE LYS A 15 0.122 -23.312 -9.618 1.00 0.00 C ATOM 225 NZ LYS A 15 0.800 -24.009 -8.498 1.00 0.00 N ATOM 0 H LYS A 15 -2.188 -18.743 -10.484 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.966 -21.014 -12.186 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.307 -20.899 -9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.375 -22.325 -10.241 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.422 -21.546 -11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.379 -20.060 -10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.231 -21.473 -9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.152 -21.501 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.922 -23.622 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.579 -23.614 -10.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.724 -25.037 -8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.803 -23.736 -8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.349 -23.743 -7.600 1.00 0.00 H new ATOM 239 N LEU A 16 -5.009 -19.356 -10.566 1.00 0.00 N ATOM 240 CA LEU A 16 -6.373 -19.215 -10.080 1.00 0.00 C ATOM 241 C LEU A 16 -7.350 -19.055 -11.236 1.00 0.00 C ATOM 242 O LEU A 16 -6.948 -18.922 -12.391 1.00 0.00 O ATOM 243 CB LEU A 16 -6.489 -17.995 -9.158 1.00 0.00 C ATOM 244 CG LEU A 16 -5.876 -18.149 -7.765 1.00 0.00 C ATOM 245 CD1 LEU A 16 -6.000 -16.848 -6.985 1.00 0.00 C ATOM 246 CD2 LEU A 16 -6.555 -19.278 -7.007 1.00 0.00 C ATOM 0 H LEU A 16 -4.545 -18.472 -10.775 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.621 -20.120 -9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.015 -17.146 -9.650 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.545 -17.749 -9.044 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.819 -18.391 -7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.559 -16.973 -5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.477 -16.053 -7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.053 -16.584 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.107 -19.374 -6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.618 -19.059 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.428 -20.212 -7.555 1.00 0.00 H new ATOM 258 N SER A 17 -8.632 -19.076 -10.911 1.00 0.00 N ATOM 259 CA SER A 17 -9.678 -18.793 -11.877 1.00 0.00 C ATOM 260 C SER A 17 -9.823 -17.285 -12.041 1.00 0.00 C ATOM 261 O SER A 17 -9.252 -16.522 -11.262 1.00 0.00 O ATOM 262 CB SER A 17 -10.999 -19.381 -11.391 1.00 0.00 C ATOM 263 OG SER A 17 -10.835 -20.710 -10.941 1.00 0.00 O ATOM 0 H SER A 17 -8.975 -19.289 -9.974 1.00 0.00 H new ATOM 0 HA SER A 17 -9.415 -19.241 -12.835 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.397 -18.768 -10.583 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.730 -19.356 -12.199 1.00 0.00 H new ATOM 0 HG SER A 17 -11.697 -21.060 -10.634 1.00 0.00 H new ATOM 269 N GLU A 18 -10.606 -16.859 -13.022 1.00 0.00 N ATOM 270 CA GLU A 18 -10.806 -15.436 -13.265 1.00 0.00 C ATOM 271 C GLU A 18 -11.523 -14.794 -12.085 1.00 0.00 C ATOM 272 O GLU A 18 -11.227 -13.661 -11.705 1.00 0.00 O ATOM 273 CB GLU A 18 -11.605 -15.206 -14.551 1.00 0.00 C ATOM 274 CG GLU A 18 -11.022 -15.904 -15.771 1.00 0.00 C ATOM 275 CD GLU A 18 -9.521 -15.736 -15.886 1.00 0.00 C ATOM 276 OE1 GLU A 18 -9.055 -14.618 -16.190 1.00 0.00 O ATOM 277 OE2 GLU A 18 -8.793 -16.727 -15.679 1.00 0.00 O ATOM 0 H GLU A 18 -11.111 -17.474 -13.660 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.826 -14.973 -13.382 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.627 -15.553 -14.399 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.658 -14.135 -14.748 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.261 -16.966 -15.724 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.496 -15.510 -16.670 1.00 0.00 H new ATOM 284 N ASP A 19 -12.455 -15.539 -11.501 1.00 0.00 N ATOM 285 CA ASP A 19 -13.186 -15.076 -10.325 1.00 0.00 C ATOM 286 C ASP A 19 -12.243 -14.993 -9.132 1.00 0.00 C ATOM 287 O ASP A 19 -12.179 -13.978 -8.438 1.00 0.00 O ATOM 288 CB ASP A 19 -14.345 -16.029 -9.998 1.00 0.00 C ATOM 289 CG ASP A 19 -15.493 -15.957 -10.992 1.00 0.00 C ATOM 290 OD1 ASP A 19 -15.294 -16.322 -12.172 1.00 0.00 O ATOM 291 OD2 ASP A 19 -16.611 -15.571 -10.591 1.00 0.00 O ATOM 0 H ASP A 19 -12.723 -16.469 -11.823 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.594 -14.088 -10.538 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.966 -17.051 -9.967 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -14.723 -15.799 -9.002 1.00 0.00 H new ATOM 296 N GLN A 20 -11.485 -16.067 -8.939 1.00 0.00 N ATOM 297 CA GLN A 20 -10.567 -16.195 -7.811 1.00 0.00 C ATOM 298 C GLN A 20 -9.533 -15.063 -7.794 1.00 0.00 C ATOM 299 O GLN A 20 -9.098 -14.631 -6.727 1.00 0.00 O ATOM 300 CB GLN A 20 -9.854 -17.544 -7.885 1.00 0.00 C ATOM 301 CG GLN A 20 -10.792 -18.741 -7.875 1.00 0.00 C ATOM 302 CD GLN A 20 -11.337 -19.060 -6.498 1.00 0.00 C ATOM 303 OE1 GLN A 20 -12.357 -18.522 -6.082 1.00 0.00 O ATOM 304 NE2 GLN A 20 -10.669 -19.964 -5.792 1.00 0.00 N ATOM 0 H GLN A 20 -11.489 -16.875 -9.561 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.149 -16.130 -6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.251 -17.575 -8.793 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.167 -17.627 -7.043 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.624 -18.548 -8.552 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.263 -19.613 -8.260 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.824 -20.388 -6.175 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.001 -20.235 -4.866 1.00 0.00 H new ATOM 313 N LYS A 21 -9.144 -14.591 -8.979 1.00 0.00 N ATOM 314 CA LYS A 21 -8.179 -13.494 -9.100 1.00 0.00 C ATOM 315 C LYS A 21 -8.675 -12.246 -8.376 1.00 0.00 C ATOM 316 O LYS A 21 -7.909 -11.555 -7.699 1.00 0.00 O ATOM 317 CB LYS A 21 -7.934 -13.157 -10.572 1.00 0.00 C ATOM 318 CG LYS A 21 -7.270 -14.271 -11.359 1.00 0.00 C ATOM 319 CD LYS A 21 -7.228 -13.948 -12.840 1.00 0.00 C ATOM 320 CE LYS A 21 -6.569 -15.060 -13.632 1.00 0.00 C ATOM 321 NZ LYS A 21 -6.557 -14.771 -15.088 1.00 0.00 N ATOM 0 H LYS A 21 -9.482 -14.951 -9.871 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.246 -13.823 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.887 -12.913 -11.041 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.312 -12.264 -10.631 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.256 -14.426 -10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.813 -15.203 -11.203 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.242 -13.789 -13.208 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.683 -13.017 -12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.546 -15.199 -13.281 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.098 -15.996 -13.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.389 -15.651 -15.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.474 -14.369 -15.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.800 -14.090 -15.301 1.00 0.00 H new ATOM 335 N THR A 22 -9.961 -11.969 -8.522 1.00 0.00 N ATOM 336 CA THR A 22 -10.565 -10.800 -7.912 1.00 0.00 C ATOM 337 C THR A 22 -10.681 -10.977 -6.400 1.00 0.00 C ATOM 338 O THR A 22 -10.410 -10.052 -5.636 1.00 0.00 O ATOM 339 CB THR A 22 -11.954 -10.527 -8.520 1.00 0.00 C ATOM 340 OG1 THR A 22 -11.856 -10.504 -9.951 1.00 0.00 O ATOM 341 CG2 THR A 22 -12.514 -9.201 -8.028 1.00 0.00 C ATOM 0 H THR A 22 -10.608 -12.543 -9.062 1.00 0.00 H new ATOM 0 HA THR A 22 -9.920 -9.944 -8.113 1.00 0.00 H new ATOM 0 HB THR A 22 -12.629 -11.324 -8.207 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.740 -10.332 -10.337 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.495 -9.033 -8.472 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.607 -9.226 -6.942 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.842 -8.393 -8.316 1.00 0.00 H new ATOM 349 N HIS A 23 -11.048 -12.179 -5.973 1.00 0.00 N ATOM 350 CA HIS A 23 -11.224 -12.467 -4.552 1.00 0.00 C ATOM 351 C HIS A 23 -9.887 -12.486 -3.826 1.00 0.00 C ATOM 352 O HIS A 23 -9.812 -12.187 -2.634 1.00 0.00 O ATOM 353 CB HIS A 23 -11.954 -13.795 -4.366 1.00 0.00 C ATOM 354 CG HIS A 23 -13.319 -13.787 -4.968 1.00 0.00 C ATOM 355 ND1 HIS A 23 -13.680 -14.684 -5.941 1.00 0.00 N ATOM 356 CD2 HIS A 23 -14.359 -12.958 -4.718 1.00 0.00 C ATOM 357 CE1 HIS A 23 -14.924 -14.383 -6.262 1.00 0.00 C ATOM 358 NE2 HIS A 23 -15.380 -13.344 -5.546 1.00 0.00 N ATOM 0 H HIS A 23 -11.230 -12.971 -6.589 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.829 -11.671 -4.118 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.367 -14.595 -4.817 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.031 -14.017 -3.302 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.380 -12.148 -4.004 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.503 -14.907 -7.008 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -16.307 -12.923 -5.606 1.00 0.00 H new ATOM 366 N LEU A 24 -8.834 -12.829 -4.551 1.00 0.00 N ATOM 367 CA LEU A 24 -7.491 -12.813 -4.002 1.00 0.00 C ATOM 368 C LEU A 24 -7.102 -11.393 -3.596 1.00 0.00 C ATOM 369 O LEU A 24 -6.685 -11.148 -2.465 1.00 0.00 O ATOM 370 CB LEU A 24 -6.502 -13.360 -5.031 1.00 0.00 C ATOM 371 CG LEU A 24 -5.051 -13.432 -4.568 1.00 0.00 C ATOM 372 CD1 LEU A 24 -4.911 -14.377 -3.384 1.00 0.00 C ATOM 373 CD2 LEU A 24 -4.158 -13.866 -5.715 1.00 0.00 C ATOM 0 H LEU A 24 -8.886 -13.123 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.464 -13.446 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.823 -14.360 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.550 -12.737 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.738 -12.440 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.868 -14.414 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.527 -14.020 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.238 -15.375 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.124 -13.914 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.470 -14.849 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.238 -13.147 -6.530 1.00 0.00 H new ATOM 385 N ASP A 25 -7.260 -10.459 -4.523 1.00 0.00 N ATOM 386 CA ASP A 25 -6.949 -9.057 -4.255 1.00 0.00 C ATOM 387 C ASP A 25 -7.971 -8.467 -3.289 1.00 0.00 C ATOM 388 O ASP A 25 -7.658 -7.576 -2.501 1.00 0.00 O ATOM 389 CB ASP A 25 -6.930 -8.261 -5.559 1.00 0.00 C ATOM 390 CG ASP A 25 -6.336 -6.872 -5.399 1.00 0.00 C ATOM 391 OD1 ASP A 25 -7.100 -5.882 -5.470 1.00 0.00 O ATOM 392 OD2 ASP A 25 -5.098 -6.765 -5.231 1.00 0.00 O ATOM 0 H ASP A 25 -7.601 -10.643 -5.467 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.961 -8.998 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.357 -8.811 -6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.948 -8.173 -5.939 1.00 0.00 H new ATOM 397 N TRP A 26 -9.194 -8.983 -3.355 1.00 0.00 N ATOM 398 CA TRP A 26 -10.251 -8.613 -2.418 1.00 0.00 C ATOM 399 C TRP A 26 -9.802 -8.878 -0.983 1.00 0.00 C ATOM 400 O TRP A 26 -9.958 -8.031 -0.103 1.00 0.00 O ATOM 401 CB TRP A 26 -11.520 -9.414 -2.732 1.00 0.00 C ATOM 402 CG TRP A 26 -12.692 -9.088 -1.855 1.00 0.00 C ATOM 403 CD1 TRP A 26 -13.668 -8.172 -2.109 1.00 0.00 C ATOM 404 CD2 TRP A 26 -13.018 -9.682 -0.591 1.00 0.00 C ATOM 405 NE1 TRP A 26 -14.582 -8.162 -1.086 1.00 0.00 N ATOM 406 CE2 TRP A 26 -14.204 -9.076 -0.141 1.00 0.00 C ATOM 407 CE3 TRP A 26 -12.422 -10.667 0.204 1.00 0.00 C ATOM 408 CZ2 TRP A 26 -14.805 -9.423 1.067 1.00 0.00 C ATOM 409 CZ3 TRP A 26 -13.018 -11.008 1.402 1.00 0.00 C ATOM 410 CH2 TRP A 26 -14.200 -10.389 1.823 1.00 0.00 C ATOM 0 H TRP A 26 -9.480 -9.666 -4.056 1.00 0.00 H new ATOM 0 HA TRP A 26 -10.464 -7.549 -2.523 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.799 -9.237 -3.771 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.296 -10.477 -2.639 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -13.715 -7.545 -2.987 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -15.410 -7.569 -1.038 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.511 -11.152 -0.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -15.717 -8.946 1.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -12.564 -11.765 2.024 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.644 -10.680 2.764 1.00 0.00 H new ATOM 421 N LEU A 27 -9.239 -10.062 -0.762 1.00 0.00 N ATOM 422 CA LEU A 27 -8.724 -10.439 0.548 1.00 0.00 C ATOM 423 C LEU A 27 -7.583 -9.513 0.961 1.00 0.00 C ATOM 424 O LEU A 27 -7.445 -9.164 2.134 1.00 0.00 O ATOM 425 CB LEU A 27 -8.250 -11.894 0.537 1.00 0.00 C ATOM 426 CG LEU A 27 -7.589 -12.375 1.830 1.00 0.00 C ATOM 427 CD1 LEU A 27 -8.515 -12.171 3.014 1.00 0.00 C ATOM 428 CD2 LEU A 27 -7.200 -13.838 1.718 1.00 0.00 C ATOM 0 H LEU A 27 -9.128 -10.780 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.530 -10.341 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.105 -12.536 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.543 -12.023 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.687 -11.784 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.025 -12.520 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.751 -11.112 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.435 -12.735 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.731 -14.162 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.091 -14.438 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.498 -13.966 0.894 1.00 0.00 H new ATOM 440 N LYS A 28 -6.779 -9.115 -0.014 1.00 0.00 N ATOM 441 CA LYS A 28 -5.695 -8.174 0.224 1.00 0.00 C ATOM 442 C LYS A 28 -6.244 -6.875 0.791 1.00 0.00 C ATOM 443 O LYS A 28 -5.734 -6.355 1.782 1.00 0.00 O ATOM 444 CB LYS A 28 -4.952 -7.896 -1.077 1.00 0.00 C ATOM 445 CG LYS A 28 -3.732 -7.005 -0.915 1.00 0.00 C ATOM 446 CD LYS A 28 -3.190 -6.575 -2.264 1.00 0.00 C ATOM 447 CE LYS A 28 -2.862 -7.772 -3.138 1.00 0.00 C ATOM 448 NZ LYS A 28 -2.543 -7.364 -4.526 1.00 0.00 N ATOM 0 H LYS A 28 -6.858 -9.431 -0.981 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.003 -8.610 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.641 -8.844 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.639 -7.429 -1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.995 -6.125 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.959 -7.538 -0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.923 -5.945 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.294 -5.970 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.016 -8.312 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.707 -8.460 -3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.457 -8.210 -5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.303 -6.755 -4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.645 -6.840 -4.536 1.00 0.00 H new ATOM 462 N GLU A 29 -7.298 -6.369 0.162 1.00 0.00 N ATOM 463 CA GLU A 29 -7.940 -5.143 0.611 1.00 0.00 C ATOM 464 C GLU A 29 -8.624 -5.355 1.956 1.00 0.00 C ATOM 465 O GLU A 29 -8.676 -4.450 2.785 1.00 0.00 O ATOM 466 CB GLU A 29 -8.973 -4.665 -0.407 1.00 0.00 C ATOM 467 CG GLU A 29 -8.437 -4.534 -1.819 1.00 0.00 C ATOM 468 CD GLU A 29 -9.463 -3.958 -2.767 1.00 0.00 C ATOM 469 OE1 GLU A 29 -9.277 -2.811 -3.223 1.00 0.00 O ATOM 470 OE2 GLU A 29 -10.472 -4.639 -3.049 1.00 0.00 O ATOM 0 H GLU A 29 -7.726 -6.791 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.164 -4.385 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.812 -5.361 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.363 -3.699 -0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.553 -3.897 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.122 -5.513 -2.179 1.00 0.00 H new ATOM 477 N ALA A 30 -9.165 -6.551 2.150 1.00 0.00 N ATOM 478 CA ALA A 30 -9.841 -6.901 3.391 1.00 0.00 C ATOM 479 C ALA A 30 -8.881 -6.832 4.569 1.00 0.00 C ATOM 480 O ALA A 30 -9.202 -6.278 5.617 1.00 0.00 O ATOM 481 CB ALA A 30 -10.449 -8.291 3.281 1.00 0.00 C ATOM 0 H ALA A 30 -9.148 -7.300 1.457 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.640 -6.180 3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.952 -8.543 4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.170 -8.309 2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.661 -9.018 3.086 1.00 0.00 H new ATOM 487 N LEU A 31 -7.703 -7.397 4.389 1.00 0.00 N ATOM 488 CA LEU A 31 -6.688 -7.384 5.425 1.00 0.00 C ATOM 489 C LEU A 31 -6.021 -6.015 5.512 1.00 0.00 C ATOM 490 O LEU A 31 -5.850 -5.466 6.599 1.00 0.00 O ATOM 491 CB LEU A 31 -5.658 -8.485 5.156 1.00 0.00 C ATOM 492 CG LEU A 31 -6.199 -9.910 5.325 1.00 0.00 C ATOM 493 CD1 LEU A 31 -5.148 -10.936 4.947 1.00 0.00 C ATOM 494 CD2 LEU A 31 -6.673 -10.136 6.755 1.00 0.00 C ATOM 0 H LEU A 31 -7.424 -7.873 3.531 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.162 -7.580 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.278 -8.371 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.812 -8.348 5.830 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.050 -10.031 4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.556 -11.939 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.858 -10.793 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.274 -10.815 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.053 -11.152 6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.839 -9.991 7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.466 -9.427 6.992 1.00 0.00 H new ATOM 506 N GLY A 32 -5.665 -5.459 4.360 1.00 0.00 N ATOM 507 CA GLY A 32 -5.025 -4.156 4.329 1.00 0.00 C ATOM 508 C GLY A 32 -3.572 -4.220 4.754 1.00 0.00 C ATOM 509 O GLY A 32 -2.942 -3.191 5.001 1.00 0.00 O ATOM 0 H GLY A 32 -5.808 -5.887 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.089 -3.746 3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.564 -3.473 4.986 1.00 0.00 H new ATOM 513 N ASN A 33 -3.043 -5.434 4.831 1.00 0.00 N ATOM 514 CA ASN A 33 -1.668 -5.657 5.251 1.00 0.00 C ATOM 515 C ASN A 33 -1.041 -6.734 4.382 1.00 0.00 C ATOM 516 O ASN A 33 -1.568 -7.847 4.285 1.00 0.00 O ATOM 517 CB ASN A 33 -1.630 -6.088 6.721 1.00 0.00 C ATOM 518 CG ASN A 33 -0.234 -6.137 7.325 1.00 0.00 C ATOM 519 OD1 ASN A 33 0.761 -6.364 6.640 1.00 0.00 O ATOM 520 ND2 ASN A 33 -0.156 -5.936 8.629 1.00 0.00 N ATOM 0 H ASN A 33 -3.553 -6.288 4.605 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.106 -4.730 5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.241 -5.400 7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.086 -7.074 6.810 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.750 -5.967 9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.002 -5.750 9.168 1.00 0.00 H new ATOM 527 N ASP A 34 0.078 -6.401 3.754 1.00 0.00 N ATOM 528 CA ASP A 34 0.777 -7.338 2.882 1.00 0.00 C ATOM 529 C ASP A 34 1.296 -8.518 3.686 1.00 0.00 C ATOM 530 O ASP A 34 1.286 -9.650 3.221 1.00 0.00 O ATOM 531 CB ASP A 34 1.940 -6.652 2.149 1.00 0.00 C ATOM 532 CG ASP A 34 3.112 -6.299 3.051 1.00 0.00 C ATOM 533 OD1 ASP A 34 4.105 -7.058 3.071 1.00 0.00 O ATOM 534 OD2 ASP A 34 3.051 -5.255 3.732 1.00 0.00 O ATOM 0 H ASP A 34 0.523 -5.487 3.832 1.00 0.00 H new ATOM 0 HA ASP A 34 0.067 -7.696 2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.292 -7.307 1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.572 -5.742 1.675 1.00 0.00 H new ATOM 539 N GLY A 35 1.721 -8.233 4.905 1.00 0.00 N ATOM 540 CA GLY A 35 2.240 -9.258 5.791 1.00 0.00 C ATOM 541 C GLY A 35 1.184 -10.262 6.222 1.00 0.00 C ATOM 542 O GLY A 35 1.444 -11.463 6.255 1.00 0.00 O ATOM 0 H GLY A 35 1.716 -7.294 5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.052 -9.786 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.665 -8.784 6.676 1.00 0.00 H new ATOM 546 N GLU A 36 -0.008 -9.780 6.552 1.00 0.00 N ATOM 547 CA GLU A 36 -1.087 -10.667 6.979 1.00 0.00 C ATOM 548 C GLU A 36 -1.615 -11.470 5.797 1.00 0.00 C ATOM 549 O GLU A 36 -1.910 -12.659 5.917 1.00 0.00 O ATOM 550 CB GLU A 36 -2.219 -9.868 7.625 1.00 0.00 C ATOM 551 CG GLU A 36 -1.776 -9.071 8.843 1.00 0.00 C ATOM 552 CD GLU A 36 -2.913 -8.311 9.498 1.00 0.00 C ATOM 553 OE1 GLU A 36 -3.371 -7.301 8.924 1.00 0.00 O ATOM 554 OE2 GLU A 36 -3.340 -8.709 10.599 1.00 0.00 O ATOM 0 H GLU A 36 -0.252 -8.790 6.533 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.687 -11.359 7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.640 -9.186 6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.016 -10.552 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.331 -9.749 9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.998 -8.367 8.547 1.00 0.00 H new ATOM 561 N PHE A 37 -1.710 -10.812 4.648 1.00 0.00 N ATOM 562 CA PHE A 37 -2.154 -11.458 3.419 1.00 0.00 C ATOM 563 C PHE A 37 -1.088 -12.444 2.935 1.00 0.00 C ATOM 564 O PHE A 37 -1.394 -13.468 2.325 1.00 0.00 O ATOM 565 CB PHE A 37 -2.449 -10.375 2.373 1.00 0.00 C ATOM 566 CG PHE A 37 -2.891 -10.883 1.029 1.00 0.00 C ATOM 567 CD1 PHE A 37 -2.189 -10.540 -0.115 1.00 0.00 C ATOM 568 CD2 PHE A 37 -4.016 -11.682 0.906 1.00 0.00 C ATOM 569 CE1 PHE A 37 -2.602 -10.983 -1.355 1.00 0.00 C ATOM 570 CE2 PHE A 37 -4.429 -12.132 -0.331 1.00 0.00 C ATOM 571 CZ PHE A 37 -3.721 -11.782 -1.463 1.00 0.00 C ATOM 0 H PHE A 37 -1.483 -9.823 4.542 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.067 -12.028 3.594 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.222 -9.715 2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.552 -9.770 2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.309 -9.919 -0.036 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.576 -11.956 1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.049 -10.704 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.305 -12.758 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.043 -12.133 -2.432 1.00 0.00 H new ATOM 581 N ASP A 38 0.159 -12.125 3.254 1.00 0.00 N ATOM 582 CA ASP A 38 1.305 -12.987 2.965 1.00 0.00 C ATOM 583 C ASP A 38 1.127 -14.355 3.600 1.00 0.00 C ATOM 584 O ASP A 38 1.384 -15.384 2.977 1.00 0.00 O ATOM 585 CB ASP A 38 2.568 -12.351 3.530 1.00 0.00 C ATOM 586 CG ASP A 38 3.835 -13.050 3.096 1.00 0.00 C ATOM 587 OD1 ASP A 38 4.248 -14.017 3.767 1.00 0.00 O ATOM 588 OD2 ASP A 38 4.440 -12.616 2.096 1.00 0.00 O ATOM 0 H ASP A 38 0.409 -11.255 3.724 1.00 0.00 H new ATOM 0 HA ASP A 38 1.383 -13.103 1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.612 -11.308 3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.513 -12.356 4.619 1.00 0.00 H new ATOM 593 N LYS A 39 0.686 -14.346 4.852 1.00 0.00 N ATOM 594 CA LYS A 39 0.489 -15.576 5.616 1.00 0.00 C ATOM 595 C LYS A 39 -0.501 -16.506 4.913 1.00 0.00 C ATOM 596 O LYS A 39 -0.313 -17.724 4.894 1.00 0.00 O ATOM 597 CB LYS A 39 0.001 -15.247 7.030 1.00 0.00 C ATOM 598 CG LYS A 39 -0.115 -16.458 7.947 1.00 0.00 C ATOM 599 CD LYS A 39 1.220 -17.171 8.156 1.00 0.00 C ATOM 600 CE LYS A 39 2.194 -16.367 9.015 1.00 0.00 C ATOM 601 NZ LYS A 39 2.906 -15.313 8.241 1.00 0.00 N ATOM 0 H LYS A 39 0.456 -13.495 5.365 1.00 0.00 H new ATOM 0 HA LYS A 39 1.446 -16.093 5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.685 -14.528 7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.973 -14.761 6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.507 -16.140 8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.835 -17.160 7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.040 -18.137 8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.676 -17.369 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.649 -15.903 9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.925 -17.043 9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.925 -15.361 8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.749 -15.463 7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.542 -14.377 8.513 1.00 0.00 H new ATOM 615 N PHE A 40 -1.540 -15.925 4.320 1.00 0.00 N ATOM 616 CA PHE A 40 -2.534 -16.692 3.579 1.00 0.00 C ATOM 617 C PHE A 40 -1.906 -17.311 2.335 1.00 0.00 C ATOM 618 O PHE A 40 -2.207 -18.446 1.965 1.00 0.00 O ATOM 619 CB PHE A 40 -3.707 -15.789 3.186 1.00 0.00 C ATOM 620 CG PHE A 40 -4.722 -16.451 2.295 1.00 0.00 C ATOM 621 CD1 PHE A 40 -5.718 -17.253 2.825 1.00 0.00 C ATOM 622 CD2 PHE A 40 -4.676 -16.265 0.922 1.00 0.00 C ATOM 623 CE1 PHE A 40 -6.649 -17.858 2.004 1.00 0.00 C ATOM 624 CE2 PHE A 40 -5.605 -16.867 0.097 1.00 0.00 C ATOM 625 CZ PHE A 40 -6.592 -17.665 0.639 1.00 0.00 C ATOM 0 H PHE A 40 -1.715 -14.920 4.339 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.905 -17.494 4.217 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.205 -15.444 4.092 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.317 -14.905 2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.768 -17.407 3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.905 -15.642 0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.421 -18.482 2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -5.559 -16.714 -0.971 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.319 -18.138 -0.005 1.00 0.00 H new ATOM 635 N LEU A 41 -1.018 -16.557 1.706 1.00 0.00 N ATOM 636 CA LEU A 41 -0.339 -17.002 0.497 1.00 0.00 C ATOM 637 C LEU A 41 0.686 -18.091 0.811 1.00 0.00 C ATOM 638 O LEU A 41 1.243 -18.715 -0.090 1.00 0.00 O ATOM 639 CB LEU A 41 0.353 -15.814 -0.177 1.00 0.00 C ATOM 640 CG LEU A 41 -0.567 -14.645 -0.537 1.00 0.00 C ATOM 641 CD1 LEU A 41 0.242 -13.470 -1.057 1.00 0.00 C ATOM 642 CD2 LEU A 41 -1.602 -15.074 -1.564 1.00 0.00 C ATOM 0 H LEU A 41 -0.748 -15.624 2.016 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.084 -17.421 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.138 -15.448 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.841 -16.166 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.090 -14.331 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.429 -12.649 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.944 -13.144 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.793 -13.773 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.246 -14.229 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.098 -15.417 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.206 -15.885 -1.156 1.00 0.00 H new ATOM 654 N GLY A 42 0.926 -18.314 2.096 1.00 0.00 N ATOM 655 CA GLY A 42 1.863 -19.336 2.513 1.00 0.00 C ATOM 656 C GLY A 42 1.167 -20.622 2.913 1.00 0.00 C ATOM 657 O GLY A 42 1.723 -21.436 3.654 1.00 0.00 O ATOM 0 H GLY A 42 0.485 -17.802 2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.561 -19.540 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.451 -18.967 3.353 1.00 0.00 H new ATOM 661 N TYR A 43 -0.054 -20.803 2.430 1.00 0.00 N ATOM 662 CA TYR A 43 -0.821 -22.004 2.720 1.00 0.00 C ATOM 663 C TYR A 43 -0.825 -22.965 1.542 1.00 0.00 C ATOM 664 O TYR A 43 -0.177 -22.728 0.521 1.00 0.00 O ATOM 665 CB TYR A 43 -2.267 -21.656 3.088 1.00 0.00 C ATOM 666 CG TYR A 43 -2.447 -21.240 4.530 1.00 0.00 C ATOM 667 CD1 TYR A 43 -2.890 -19.966 4.872 1.00 0.00 C ATOM 668 CD2 TYR A 43 -2.184 -22.138 5.553 1.00 0.00 C ATOM 669 CE1 TYR A 43 -3.067 -19.606 6.196 1.00 0.00 C ATOM 670 CE2 TYR A 43 -2.354 -21.787 6.874 1.00 0.00 C ATOM 671 CZ TYR A 43 -2.796 -20.520 7.193 1.00 0.00 C ATOM 672 OH TYR A 43 -2.976 -20.170 8.513 1.00 0.00 O ATOM 0 H TYR A 43 -0.535 -20.130 1.833 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.337 -22.490 3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.612 -20.849 2.441 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.901 -22.520 2.887 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.099 -19.248 4.093 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.839 -23.132 5.309 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.415 -18.615 6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.142 -22.501 7.656 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.741 -20.928 9.087 1.00 0.00 H new ATOM 682 N ASP A 44 -1.555 -24.057 1.709 1.00 0.00 N ATOM 683 CA ASP A 44 -1.766 -25.025 0.641 1.00 0.00 C ATOM 684 C ASP A 44 -2.728 -24.444 -0.372 1.00 0.00 C ATOM 685 O ASP A 44 -3.796 -23.974 0.009 1.00 0.00 O ATOM 686 CB ASP A 44 -2.361 -26.306 1.227 1.00 0.00 C ATOM 687 CG ASP A 44 -2.668 -27.379 0.200 1.00 0.00 C ATOM 688 OD1 ASP A 44 -3.325 -28.368 0.576 1.00 0.00 O ATOM 689 OD2 ASP A 44 -2.283 -27.240 -0.980 1.00 0.00 O ATOM 0 H ASP A 44 -2.017 -24.298 2.586 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.816 -25.253 0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.666 -26.712 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.279 -26.056 1.759 1.00 0.00 H new ATOM 694 N GLU A 45 -2.367 -24.481 -1.648 1.00 0.00 N ATOM 695 CA GLU A 45 -3.251 -23.995 -2.692 1.00 0.00 C ATOM 696 C GLU A 45 -4.588 -24.705 -2.636 1.00 0.00 C ATOM 697 O GLU A 45 -5.621 -24.099 -2.887 1.00 0.00 O ATOM 698 CB GLU A 45 -2.639 -24.185 -4.069 1.00 0.00 C ATOM 699 CG GLU A 45 -2.005 -22.926 -4.624 1.00 0.00 C ATOM 700 CD GLU A 45 -1.732 -23.037 -6.101 1.00 0.00 C ATOM 701 OE1 GLU A 45 -2.444 -22.381 -6.890 1.00 0.00 O ATOM 702 OE2 GLU A 45 -0.823 -23.804 -6.481 1.00 0.00 O ATOM 0 H GLU A 45 -1.473 -24.841 -1.981 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.399 -22.929 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.885 -24.971 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.411 -24.528 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.663 -22.077 -4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.072 -22.727 -4.097 1.00 0.00 H new ATOM 709 N SER A 46 -4.566 -25.980 -2.274 1.00 0.00 N ATOM 710 CA SER A 46 -5.789 -26.762 -2.164 1.00 0.00 C ATOM 711 C SER A 46 -6.718 -26.129 -1.133 1.00 0.00 C ATOM 712 O SER A 46 -7.941 -26.111 -1.294 1.00 0.00 O ATOM 713 CB SER A 46 -5.450 -28.195 -1.758 1.00 0.00 C ATOM 714 OG SER A 46 -4.252 -28.627 -2.387 1.00 0.00 O ATOM 0 H SER A 46 -3.714 -26.495 -2.051 1.00 0.00 H new ATOM 0 HA SER A 46 -6.294 -26.778 -3.130 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.340 -28.255 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.270 -28.859 -2.032 1.00 0.00 H new ATOM 0 HG SER A 46 -3.480 -28.306 -1.876 1.00 0.00 H new ATOM 720 N LYS A 47 -6.121 -25.584 -0.079 1.00 0.00 N ATOM 721 CA LYS A 47 -6.874 -24.901 0.955 1.00 0.00 C ATOM 722 C LYS A 47 -7.182 -23.474 0.518 1.00 0.00 C ATOM 723 O LYS A 47 -8.254 -22.939 0.801 1.00 0.00 O ATOM 724 CB LYS A 47 -6.063 -24.931 2.249 1.00 0.00 C ATOM 725 CG LYS A 47 -5.882 -26.344 2.768 1.00 0.00 C ATOM 726 CD LYS A 47 -4.799 -26.449 3.819 1.00 0.00 C ATOM 727 CE LYS A 47 -4.571 -27.902 4.208 1.00 0.00 C ATOM 728 NZ LYS A 47 -4.501 -28.806 3.019 1.00 0.00 N ATOM 0 H LYS A 47 -5.113 -25.605 0.078 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.827 -25.402 1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.086 -24.479 2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.564 -24.327 3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.825 -26.695 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.639 -27.004 1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.872 -26.019 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.081 -25.871 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.645 -27.982 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.377 -28.231 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.037 -29.697 3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.463 -29.006 2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.955 -28.345 2.264 1.00 0.00 H new ATOM 742 N ILE A 48 -6.239 -22.884 -0.201 1.00 0.00 N ATOM 743 CA ILE A 48 -6.373 -21.529 -0.707 1.00 0.00 C ATOM 744 C ILE A 48 -7.529 -21.408 -1.706 1.00 0.00 C ATOM 745 O ILE A 48 -8.342 -20.492 -1.602 1.00 0.00 O ATOM 746 CB ILE A 48 -5.049 -21.064 -1.352 1.00 0.00 C ATOM 747 CG1 ILE A 48 -3.964 -20.935 -0.282 1.00 0.00 C ATOM 748 CG2 ILE A 48 -5.232 -19.750 -2.095 1.00 0.00 C ATOM 749 CD1 ILE A 48 -2.603 -20.580 -0.840 1.00 0.00 C ATOM 0 H ILE A 48 -5.358 -23.334 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.602 -20.881 0.139 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.739 -21.814 -2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.263 -20.172 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.890 -21.876 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.283 -19.448 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.976 -19.877 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.568 -18.982 -1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.884 -20.505 -0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.282 -21.354 -1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.661 -19.624 -1.361 1.00 0.00 H new ATOM 761 N LYS A 49 -7.613 -22.335 -2.664 1.00 0.00 N ATOM 762 CA LYS A 49 -8.700 -22.303 -3.643 1.00 0.00 C ATOM 763 C LYS A 49 -10.037 -22.359 -2.924 1.00 0.00 C ATOM 764 O LYS A 49 -10.962 -21.615 -3.245 1.00 0.00 O ATOM 765 CB LYS A 49 -8.644 -23.478 -4.615 1.00 0.00 C ATOM 766 CG LYS A 49 -7.289 -23.762 -5.232 1.00 0.00 C ATOM 767 CD LYS A 49 -6.668 -22.576 -5.949 1.00 0.00 C ATOM 768 CE LYS A 49 -5.843 -23.051 -7.140 1.00 0.00 C ATOM 769 NZ LYS A 49 -4.908 -22.017 -7.655 1.00 0.00 N ATOM 0 H LYS A 49 -6.953 -23.104 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.588 -21.377 -4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.978 -24.374 -4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.357 -23.294 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.608 -24.095 -4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.390 -24.586 -5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.450 -21.897 -6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.036 -22.016 -5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.274 -23.934 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.516 -23.355 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.236 -21.684 -8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.877 -21.216 -6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.956 -22.426 -7.750 1.00 0.00 H new ATOM 783 N THR A 50 -10.117 -23.256 -1.948 1.00 0.00 N ATOM 784 CA THR A 50 -11.325 -23.452 -1.168 1.00 0.00 C ATOM 785 C THR A 50 -11.683 -22.189 -0.390 1.00 0.00 C ATOM 786 O THR A 50 -12.832 -21.759 -0.396 1.00 0.00 O ATOM 787 CB THR A 50 -11.155 -24.631 -0.193 1.00 0.00 C ATOM 788 OG1 THR A 50 -10.689 -25.784 -0.909 1.00 0.00 O ATOM 789 CG2 THR A 50 -12.465 -24.962 0.506 1.00 0.00 C ATOM 0 H THR A 50 -9.345 -23.866 -1.678 1.00 0.00 H new ATOM 0 HA THR A 50 -12.135 -23.677 -1.861 1.00 0.00 H new ATOM 0 HB THR A 50 -10.426 -24.344 0.565 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.711 -25.761 -0.965 1.00 0.00 H new ATOM 0 HG21 THR A 50 -12.312 -25.799 1.188 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.807 -24.093 1.069 1.00 0.00 H new ATOM 0 HG23 THR A 50 -13.216 -25.232 -0.237 1.00 0.00 H new ATOM 797 N ALA A 51 -10.690 -21.593 0.265 1.00 0.00 N ATOM 798 CA ALA A 51 -10.899 -20.359 1.010 1.00 0.00 C ATOM 799 C ALA A 51 -11.413 -19.251 0.096 1.00 0.00 C ATOM 800 O ALA A 51 -12.407 -18.592 0.400 1.00 0.00 O ATOM 801 CB ALA A 51 -9.609 -19.926 1.690 1.00 0.00 C ATOM 0 H ALA A 51 -9.734 -21.946 0.294 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.653 -20.548 1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -9.781 -19.002 2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.281 -20.705 2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.839 -19.760 0.937 1.00 0.00 H new ATOM 807 N LEU A 52 -10.737 -19.070 -1.034 1.00 0.00 N ATOM 808 CA LEU A 52 -11.113 -18.041 -1.996 1.00 0.00 C ATOM 809 C LEU A 52 -12.507 -18.295 -2.558 1.00 0.00 C ATOM 810 O LEU A 52 -13.315 -17.375 -2.683 1.00 0.00 O ATOM 811 CB LEU A 52 -10.091 -17.972 -3.133 1.00 0.00 C ATOM 812 CG LEU A 52 -8.702 -17.482 -2.721 1.00 0.00 C ATOM 813 CD1 LEU A 52 -7.745 -17.537 -3.899 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.773 -16.067 -2.162 1.00 0.00 C ATOM 0 H LEU A 52 -9.925 -19.624 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.126 -17.084 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.994 -18.963 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.477 -17.312 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.327 -18.142 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.762 -17.185 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.666 -18.564 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.119 -16.902 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.774 -15.739 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.172 -15.395 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.424 -16.053 -1.288 1.00 0.00 H new ATOM 826 N ASP A 53 -12.796 -19.554 -2.864 1.00 0.00 N ATOM 827 CA ASP A 53 -14.067 -19.917 -3.481 1.00 0.00 C ATOM 828 C ASP A 53 -15.194 -19.900 -2.451 1.00 0.00 C ATOM 829 O ASP A 53 -16.363 -19.764 -2.799 1.00 0.00 O ATOM 830 CB ASP A 53 -13.959 -21.294 -4.141 1.00 0.00 C ATOM 831 CG ASP A 53 -15.140 -21.630 -5.036 1.00 0.00 C ATOM 832 OD1 ASP A 53 -15.988 -22.447 -4.623 1.00 0.00 O ATOM 833 OD2 ASP A 53 -15.210 -21.110 -6.172 1.00 0.00 O ATOM 0 H ASP A 53 -12.169 -20.340 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.302 -19.180 -4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.043 -21.335 -4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.873 -22.055 -3.365 1.00 0.00 H new ATOM 838 N HIS A 54 -14.843 -20.041 -1.175 1.00 0.00 N ATOM 839 CA HIS A 54 -15.823 -19.906 -0.100 1.00 0.00 C ATOM 840 C HIS A 54 -16.188 -18.437 0.088 1.00 0.00 C ATOM 841 O HIS A 54 -17.358 -18.099 0.271 1.00 0.00 O ATOM 842 CB HIS A 54 -15.301 -20.494 1.215 1.00 0.00 C ATOM 843 CG HIS A 54 -16.212 -20.243 2.379 1.00 0.00 C ATOM 844 ND1 HIS A 54 -17.399 -20.926 2.541 1.00 0.00 N ATOM 845 CD2 HIS A 54 -16.083 -19.342 3.375 1.00 0.00 C ATOM 846 CE1 HIS A 54 -17.958 -20.418 3.626 1.00 0.00 C ATOM 847 NE2 HIS A 54 -17.198 -19.456 4.162 1.00 0.00 N ATOM 0 H HIS A 54 -13.895 -20.247 -0.861 1.00 0.00 H new ATOM 0 HA HIS A 54 -16.713 -20.467 -0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -15.163 -21.569 1.095 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -14.321 -20.069 1.431 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.258 -18.661 3.523 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -18.907 -20.739 4.029 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -17.409 -18.911 4.998 1.00 0.00 H new ATOM 855 N ILE A 55 -15.178 -17.572 0.053 1.00 0.00 N ATOM 856 CA ILE A 55 -15.406 -16.131 0.045 1.00 0.00 C ATOM 857 C ILE A 55 -16.351 -15.787 -1.100 1.00 0.00 C ATOM 858 O ILE A 55 -17.378 -15.135 -0.915 1.00 0.00 O ATOM 859 CB ILE A 55 -14.080 -15.351 -0.126 1.00 0.00 C ATOM 860 CG1 ILE A 55 -13.162 -15.590 1.075 1.00 0.00 C ATOM 861 CG2 ILE A 55 -14.346 -13.865 -0.309 1.00 0.00 C ATOM 862 CD1 ILE A 55 -11.813 -14.913 0.951 1.00 0.00 C ATOM 0 H ILE A 55 -14.195 -17.844 0.030 1.00 0.00 H new ATOM 0 HA ILE A 55 -15.844 -15.843 1.001 1.00 0.00 H new ATOM 0 HB ILE A 55 -13.580 -15.718 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.657 -15.232 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.011 -16.662 1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -13.399 -13.338 -0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -14.960 -13.712 -1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -14.870 -13.479 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.216 -15.126 1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.297 -15.289 0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.954 -13.836 0.858 1.00 0.00 H new ATOM 874 N LYS A 56 -15.987 -16.273 -2.274 1.00 0.00 N ATOM 875 CA LYS A 56 -16.799 -16.171 -3.478 1.00 0.00 C ATOM 876 C LYS A 56 -18.219 -16.706 -3.255 1.00 0.00 C ATOM 877 O LYS A 56 -19.190 -16.125 -3.741 1.00 0.00 O ATOM 878 CB LYS A 56 -16.082 -16.960 -4.572 1.00 0.00 C ATOM 879 CG LYS A 56 -16.875 -17.208 -5.837 1.00 0.00 C ATOM 880 CD LYS A 56 -16.055 -18.056 -6.789 1.00 0.00 C ATOM 881 CE LYS A 56 -16.891 -18.633 -7.910 1.00 0.00 C ATOM 882 NZ LYS A 56 -16.179 -19.738 -8.601 1.00 0.00 N ATOM 0 H LYS A 56 -15.102 -16.759 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 56 -16.912 -15.125 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.169 -16.428 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.781 -17.923 -4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -17.812 -17.712 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.134 -16.260 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.253 -17.451 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.584 -18.868 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.836 -19.001 -7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.132 -17.849 -8.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.856 -20.286 -9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.446 -19.343 -9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.736 -20.360 -7.895 1.00 0.00 H new ATOM 896 N SER A 57 -18.328 -17.803 -2.514 1.00 0.00 N ATOM 897 CA SER A 57 -19.616 -18.428 -2.232 1.00 0.00 C ATOM 898 C SER A 57 -20.499 -17.514 -1.384 1.00 0.00 C ATOM 899 O SER A 57 -21.625 -17.206 -1.768 1.00 0.00 O ATOM 900 CB SER A 57 -19.404 -19.776 -1.531 1.00 0.00 C ATOM 901 OG SER A 57 -20.638 -20.411 -1.226 1.00 0.00 O ATOM 0 H SER A 57 -17.532 -18.282 -2.094 1.00 0.00 H new ATOM 0 HA SER A 57 -20.128 -18.599 -3.179 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.808 -20.428 -2.169 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.837 -19.623 -0.613 1.00 0.00 H new ATOM 0 HG SER A 57 -20.464 -21.267 -0.782 1.00 0.00 H new ATOM 907 N GLU A 58 -19.985 -17.074 -0.241 1.00 0.00 N ATOM 908 CA GLU A 58 -20.738 -16.203 0.647 1.00 0.00 C ATOM 909 C GLU A 58 -21.030 -14.855 -0.018 1.00 0.00 C ATOM 910 O GLU A 58 -22.111 -14.297 0.142 1.00 0.00 O ATOM 911 CB GLU A 58 -19.970 -15.994 1.952 1.00 0.00 C ATOM 912 CG GLU A 58 -19.889 -17.237 2.822 1.00 0.00 C ATOM 913 CD GLU A 58 -21.254 -17.714 3.275 1.00 0.00 C ATOM 914 OE1 GLU A 58 -21.983 -16.915 3.905 1.00 0.00 O ATOM 915 OE2 GLU A 58 -21.598 -18.884 3.007 1.00 0.00 O ATOM 0 H GLU A 58 -19.049 -17.308 0.091 1.00 0.00 H new ATOM 0 HA GLU A 58 -21.691 -16.683 0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.959 -15.659 1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -20.447 -15.195 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.394 -18.034 2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.272 -17.026 3.696 1.00 0.00 H new ATOM 922 N LEU A 59 -20.076 -14.339 -0.783 1.00 0.00 N ATOM 923 CA LEU A 59 -20.271 -13.070 -1.480 1.00 0.00 C ATOM 924 C LEU A 59 -21.442 -13.154 -2.456 1.00 0.00 C ATOM 925 O LEU A 59 -22.069 -12.142 -2.774 1.00 0.00 O ATOM 926 CB LEU A 59 -18.994 -12.651 -2.214 1.00 0.00 C ATOM 927 CG LEU A 59 -17.871 -12.147 -1.307 1.00 0.00 C ATOM 928 CD1 LEU A 59 -16.619 -11.858 -2.117 1.00 0.00 C ATOM 929 CD2 LEU A 59 -18.314 -10.901 -0.556 1.00 0.00 C ATOM 0 H LEU A 59 -19.166 -14.774 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 59 -20.505 -12.312 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -18.625 -13.502 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -19.243 -11.868 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 59 -17.640 -12.927 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.831 -11.500 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -16.289 -12.770 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -16.837 -11.096 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -17.503 -10.555 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -18.571 -10.118 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -19.185 -11.135 0.056 1.00 0.00 H new ATOM 941 N ASP A 60 -21.738 -14.369 -2.903 1.00 0.00 N ATOM 942 CA ASP A 60 -22.867 -14.627 -3.797 1.00 0.00 C ATOM 943 C ASP A 60 -24.190 -14.458 -3.057 1.00 0.00 C ATOM 944 O ASP A 60 -25.206 -14.100 -3.653 1.00 0.00 O ATOM 945 CB ASP A 60 -22.754 -16.050 -4.365 1.00 0.00 C ATOM 946 CG ASP A 60 -23.947 -16.471 -5.204 1.00 0.00 C ATOM 947 OD1 ASP A 60 -23.959 -16.172 -6.415 1.00 0.00 O ATOM 948 OD2 ASP A 60 -24.857 -17.136 -4.663 1.00 0.00 O ATOM 0 H ASP A 60 -21.205 -15.203 -2.658 1.00 0.00 H new ATOM 0 HA ASP A 60 -22.842 -13.907 -4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -21.852 -16.118 -4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.636 -16.752 -3.540 1.00 0.00 H new ATOM 953 N LYS A 61 -24.160 -14.683 -1.744 1.00 0.00 N ATOM 954 CA LYS A 61 -25.373 -14.659 -0.930 1.00 0.00 C ATOM 955 C LYS A 61 -25.909 -13.235 -0.823 1.00 0.00 C ATOM 956 O LYS A 61 -27.117 -13.013 -0.714 1.00 0.00 O ATOM 957 CB LYS A 61 -25.105 -15.208 0.480 1.00 0.00 C ATOM 958 CG LYS A 61 -24.263 -16.487 0.540 1.00 0.00 C ATOM 959 CD LYS A 61 -24.936 -17.686 -0.115 1.00 0.00 C ATOM 960 CE LYS A 61 -24.753 -17.682 -1.624 1.00 0.00 C ATOM 961 NZ LYS A 61 -25.708 -18.579 -2.316 1.00 0.00 N ATOM 0 H LYS A 61 -23.307 -14.884 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 61 -26.113 -15.293 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -24.603 -14.436 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -26.062 -15.401 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -23.305 -16.306 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -24.050 -16.724 1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -24.522 -18.606 0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -26.000 -17.680 0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -24.878 -16.666 -1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -23.734 -17.987 -1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -25.720 -18.356 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -25.415 -19.568 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -26.660 -18.443 -1.921 1.00 0.00 H new ATOM 975 N CYS A 62 -24.999 -12.273 -0.854 1.00 0.00 N ATOM 976 CA CYS A 62 -25.369 -10.870 -0.778 1.00 0.00 C ATOM 977 C CYS A 62 -25.460 -10.274 -2.178 1.00 0.00 C ATOM 978 O CYS A 62 -24.440 -9.941 -2.786 1.00 0.00 O ATOM 979 CB CYS A 62 -24.349 -10.087 0.054 1.00 0.00 C ATOM 980 SG CYS A 62 -24.034 -10.779 1.713 1.00 0.00 S ATOM 0 H CYS A 62 -23.996 -12.441 -0.932 1.00 0.00 H new ATOM 0 HA CYS A 62 -26.343 -10.798 -0.294 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -23.407 -10.046 -0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -24.699 -9.061 0.163 1.00 0.00 H new ATOM 985 N ASN A 63 -26.678 -10.149 -2.688 1.00 0.00 N ATOM 986 CA ASN A 63 -26.906 -9.586 -4.006 1.00 0.00 C ATOM 987 C ASN A 63 -28.200 -8.781 -3.995 1.00 0.00 C ATOM 988 O ASN A 63 -29.301 -9.326 -3.940 1.00 0.00 O ATOM 989 CB ASN A 63 -26.918 -10.677 -5.098 1.00 0.00 C ATOM 990 CG ASN A 63 -27.979 -11.750 -4.897 1.00 0.00 C ATOM 991 OD1 ASN A 63 -29.093 -11.644 -5.409 1.00 0.00 O ATOM 992 ND2 ASN A 63 -27.630 -12.812 -4.185 1.00 0.00 N ATOM 0 H ASN A 63 -27.528 -10.434 -2.202 1.00 0.00 H new ATOM 0 HA ASN A 63 -26.081 -8.918 -4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -27.075 -10.203 -6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -25.938 -11.153 -5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -28.294 -13.574 -4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -26.698 -12.867 -3.775 1.00 0.00 H new ATOM 999 N GLY A 64 -28.044 -7.471 -3.989 1.00 0.00 N ATOM 1000 CA GLY A 64 -29.178 -6.579 -3.906 1.00 0.00 C ATOM 1001 C GLY A 64 -28.772 -5.188 -3.459 1.00 0.00 C ATOM 1002 O GLY A 64 -27.623 -4.784 -3.646 1.00 0.00 O ATOM 0 H GLY A 64 -27.139 -7.003 -4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -29.665 -6.520 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -29.909 -6.986 -3.208 1.00 0.00 H new ATOM 1006 N ASN A 65 -29.706 -4.472 -2.841 1.00 0.00 N ATOM 1007 CA ASN A 65 -29.492 -3.082 -2.432 1.00 0.00 C ATOM 1008 C ASN A 65 -28.320 -2.932 -1.459 1.00 0.00 C ATOM 1009 O ASN A 65 -27.402 -2.145 -1.694 1.00 0.00 O ATOM 1010 CB ASN A 65 -30.773 -2.520 -1.799 1.00 0.00 C ATOM 1011 CG ASN A 65 -30.635 -1.071 -1.370 1.00 0.00 C ATOM 1012 OD1 ASN A 65 -30.827 -0.155 -2.172 1.00 0.00 O ATOM 1013 ND2 ASN A 65 -30.333 -0.852 -0.098 1.00 0.00 N ATOM 0 H ASN A 65 -30.631 -4.835 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 65 -29.241 -2.516 -3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -31.592 -2.606 -2.513 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -31.040 -3.126 -0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -30.252 0.103 0.250 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -30.182 -1.639 0.533 1.00 0.00 H new ATOM 1020 N ASP A 66 -28.347 -3.702 -0.382 1.00 0.00 N ATOM 1021 CA ASP A 66 -27.363 -3.564 0.695 1.00 0.00 C ATOM 1022 C ASP A 66 -26.180 -4.507 0.493 1.00 0.00 C ATOM 1023 O ASP A 66 -25.371 -4.704 1.402 1.00 0.00 O ATOM 1024 CB ASP A 66 -28.021 -3.860 2.051 1.00 0.00 C ATOM 1025 CG ASP A 66 -29.143 -2.896 2.392 1.00 0.00 C ATOM 1026 OD1 ASP A 66 -29.000 -2.125 3.367 1.00 0.00 O ATOM 1027 OD2 ASP A 66 -30.177 -2.905 1.690 1.00 0.00 O ATOM 0 H ASP A 66 -29.040 -4.433 -0.225 1.00 0.00 H new ATOM 0 HA ASP A 66 -26.995 -2.538 0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -28.414 -4.877 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -27.263 -3.817 2.833 1.00 0.00 H new ATOM 1032 N ALA A 67 -26.058 -5.056 -0.707 1.00 0.00 N ATOM 1033 CA ALA A 67 -25.092 -6.117 -0.973 1.00 0.00 C ATOM 1034 C ALA A 67 -23.651 -5.654 -0.807 1.00 0.00 C ATOM 1035 O ALA A 67 -22.869 -6.304 -0.117 1.00 0.00 O ATOM 1036 CB ALA A 67 -25.296 -6.673 -2.367 1.00 0.00 C ATOM 0 H ALA A 67 -26.617 -4.784 -1.516 1.00 0.00 H new ATOM 0 HA ALA A 67 -25.268 -6.898 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -24.569 -7.464 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -26.304 -7.079 -2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -25.162 -5.877 -3.099 1.00 0.00 H new ATOM 1042 N ASP A 68 -23.304 -4.534 -1.431 1.00 0.00 N ATOM 1043 CA ASP A 68 -21.918 -4.064 -1.451 1.00 0.00 C ATOM 1044 C ASP A 68 -21.400 -3.812 -0.038 1.00 0.00 C ATOM 1045 O ASP A 68 -20.256 -4.137 0.281 1.00 0.00 O ATOM 1046 CB ASP A 68 -21.795 -2.792 -2.288 1.00 0.00 C ATOM 1047 CG ASP A 68 -20.356 -2.457 -2.628 1.00 0.00 C ATOM 1048 OD1 ASP A 68 -19.861 -2.945 -3.671 1.00 0.00 O ATOM 1049 OD2 ASP A 68 -19.714 -1.707 -1.867 1.00 0.00 O ATOM 0 H ASP A 68 -23.960 -3.933 -1.930 1.00 0.00 H new ATOM 0 HA ASP A 68 -21.309 -4.846 -1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.364 -2.911 -3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -22.240 -1.959 -1.744 1.00 0.00 H new ATOM 1054 N GLN A 69 -22.252 -3.266 0.818 1.00 0.00 N ATOM 1055 CA GLN A 69 -21.859 -2.968 2.189 1.00 0.00 C ATOM 1056 C GLN A 69 -21.687 -4.245 3.004 1.00 0.00 C ATOM 1057 O GLN A 69 -20.794 -4.334 3.848 1.00 0.00 O ATOM 1058 CB GLN A 69 -22.869 -2.037 2.860 1.00 0.00 C ATOM 1059 CG GLN A 69 -22.605 -0.556 2.610 1.00 0.00 C ATOM 1060 CD GLN A 69 -22.554 -0.201 1.138 1.00 0.00 C ATOM 1061 OE1 GLN A 69 -23.577 0.095 0.526 1.00 0.00 O ATOM 1062 NE2 GLN A 69 -21.364 -0.226 0.559 1.00 0.00 N ATOM 0 H GLN A 69 -23.215 -3.021 0.590 1.00 0.00 H new ATOM 0 HA GLN A 69 -20.896 -2.458 2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -23.869 -2.283 2.502 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -22.860 -2.221 3.934 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -23.385 0.032 3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -21.661 -0.278 3.078 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -20.538 -0.477 1.102 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -21.273 0.006 -0.430 1.00 0.00 H new ATOM 1071 N GLN A 70 -22.535 -5.232 2.750 1.00 0.00 N ATOM 1072 CA GLN A 70 -22.390 -6.533 3.381 1.00 0.00 C ATOM 1073 C GLN A 70 -21.113 -7.211 2.902 1.00 0.00 C ATOM 1074 O GLN A 70 -20.424 -7.872 3.675 1.00 0.00 O ATOM 1075 CB GLN A 70 -23.609 -7.398 3.084 1.00 0.00 C ATOM 1076 CG GLN A 70 -24.886 -6.848 3.696 1.00 0.00 C ATOM 1077 CD GLN A 70 -24.832 -6.810 5.212 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -24.411 -5.818 5.808 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -25.247 -7.895 5.844 1.00 0.00 N ATOM 0 H GLN A 70 -23.328 -5.156 2.113 1.00 0.00 H new ATOM 0 HA GLN A 70 -22.320 -6.399 4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -23.735 -7.481 2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -23.435 -8.405 3.463 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -25.063 -5.842 3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -25.730 -7.461 3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -25.589 -8.696 5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -25.226 -7.931 6.863 1.00 0.00 H new ATOM 1088 N LYS A 71 -20.792 -7.020 1.627 1.00 0.00 N ATOM 1089 CA LYS A 71 -19.536 -7.505 1.070 1.00 0.00 C ATOM 1090 C LYS A 71 -18.360 -6.812 1.762 1.00 0.00 C ATOM 1091 O LYS A 71 -17.330 -7.427 2.029 1.00 0.00 O ATOM 1092 CB LYS A 71 -19.484 -7.254 -0.442 1.00 0.00 C ATOM 1093 CG LYS A 71 -20.534 -8.015 -1.244 1.00 0.00 C ATOM 1094 CD LYS A 71 -20.551 -7.554 -2.694 1.00 0.00 C ATOM 1095 CE LYS A 71 -21.656 -8.220 -3.505 1.00 0.00 C ATOM 1096 NZ LYS A 71 -21.357 -9.644 -3.828 1.00 0.00 N ATOM 0 H LYS A 71 -21.387 -6.531 0.958 1.00 0.00 H new ATOM 0 HA LYS A 71 -19.468 -8.579 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.608 -6.187 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.495 -7.528 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -20.326 -9.084 -1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -21.517 -7.864 -0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -20.682 -6.472 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -19.586 -7.772 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -22.591 -8.167 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -21.805 -7.666 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -21.689 -9.859 -4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.331 -9.805 -3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -21.842 -10.263 -3.148 1.00 0.00 H new ATOM 1110 N THR A 72 -18.537 -5.528 2.065 1.00 0.00 N ATOM 1111 CA THR A 72 -17.525 -4.760 2.786 1.00 0.00 C ATOM 1112 C THR A 72 -17.402 -5.256 4.229 1.00 0.00 C ATOM 1113 O THR A 72 -16.306 -5.317 4.789 1.00 0.00 O ATOM 1114 CB THR A 72 -17.865 -3.254 2.787 1.00 0.00 C ATOM 1115 OG1 THR A 72 -18.115 -2.809 1.447 1.00 0.00 O ATOM 1116 CG2 THR A 72 -16.729 -2.436 3.389 1.00 0.00 C ATOM 0 H THR A 72 -19.373 -4.997 1.822 1.00 0.00 H new ATOM 0 HA THR A 72 -16.574 -4.904 2.273 1.00 0.00 H new ATOM 0 HB THR A 72 -18.757 -3.109 3.396 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.931 -3.233 1.109 1.00 0.00 H new ATOM 0 HG21 THR A 72 -16.996 -1.379 3.377 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.556 -2.755 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 72 -15.822 -2.588 2.804 1.00 0.00 H new ATOM 1124 N THR A 73 -18.532 -5.621 4.820 1.00 0.00 N ATOM 1125 CA THR A 73 -18.549 -6.163 6.170 1.00 0.00 C ATOM 1126 C THR A 73 -17.867 -7.531 6.210 1.00 0.00 C ATOM 1127 O THR A 73 -17.199 -7.879 7.185 1.00 0.00 O ATOM 1128 CB THR A 73 -19.993 -6.296 6.697 1.00 0.00 C ATOM 1129 OG1 THR A 73 -20.680 -5.041 6.569 1.00 0.00 O ATOM 1130 CG2 THR A 73 -20.003 -6.737 8.155 1.00 0.00 C ATOM 0 H THR A 73 -19.451 -5.551 4.383 1.00 0.00 H new ATOM 0 HA THR A 73 -18.003 -5.469 6.809 1.00 0.00 H new ATOM 0 HB THR A 73 -20.503 -7.054 6.102 1.00 0.00 H new ATOM 0 HG1 THR A 73 -20.793 -4.825 5.620 1.00 0.00 H new ATOM 0 HG21 THR A 73 -21.033 -6.823 8.502 1.00 0.00 H new ATOM 0 HG22 THR A 73 -19.507 -7.703 8.246 1.00 0.00 H new ATOM 0 HG23 THR A 73 -19.476 -6.000 8.762 1.00 0.00 H new ATOM 1138 N PHE A 74 -18.011 -8.279 5.121 1.00 0.00 N ATOM 1139 CA PHE A 74 -17.472 -9.630 5.028 1.00 0.00 C ATOM 1140 C PHE A 74 -15.949 -9.611 5.131 1.00 0.00 C ATOM 1141 O PHE A 74 -15.337 -10.577 5.589 1.00 0.00 O ATOM 1142 CB PHE A 74 -17.922 -10.278 3.715 1.00 0.00 C ATOM 1143 CG PHE A 74 -17.609 -11.745 3.605 1.00 0.00 C ATOM 1144 CD1 PHE A 74 -17.880 -12.610 4.654 1.00 0.00 C ATOM 1145 CD2 PHE A 74 -17.063 -12.258 2.442 1.00 0.00 C ATOM 1146 CE1 PHE A 74 -17.609 -13.960 4.542 1.00 0.00 C ATOM 1147 CE2 PHE A 74 -16.788 -13.605 2.326 1.00 0.00 C ATOM 1148 CZ PHE A 74 -17.062 -14.457 3.375 1.00 0.00 C ATOM 0 H PHE A 74 -18.502 -7.968 4.283 1.00 0.00 H new ATOM 0 HA PHE A 74 -17.855 -10.222 5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -18.998 -10.140 3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -17.448 -9.755 2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -18.307 -12.225 5.568 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -16.850 -11.596 1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -17.824 -14.625 5.365 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -16.358 -13.992 1.414 1.00 0.00 H new ATOM 0 HZ PHE A 74 -16.849 -15.512 3.284 1.00 0.00 H new ATOM 1158 N LYS A 75 -15.346 -8.495 4.724 1.00 0.00 N ATOM 1159 CA LYS A 75 -13.909 -8.298 4.851 1.00 0.00 C ATOM 1160 C LYS A 75 -13.459 -8.515 6.291 1.00 0.00 C ATOM 1161 O LYS A 75 -12.459 -9.182 6.549 1.00 0.00 O ATOM 1162 CB LYS A 75 -13.537 -6.882 4.411 1.00 0.00 C ATOM 1163 CG LYS A 75 -13.777 -6.598 2.938 1.00 0.00 C ATOM 1164 CD LYS A 75 -13.478 -5.146 2.615 1.00 0.00 C ATOM 1165 CE LYS A 75 -13.467 -4.888 1.118 1.00 0.00 C ATOM 1166 NZ LYS A 75 -13.082 -3.486 0.799 1.00 0.00 N ATOM 0 H LYS A 75 -15.839 -7.709 4.300 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.407 -9.025 4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.109 -6.168 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.484 -6.710 4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.147 -7.248 2.330 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.812 -6.827 2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.225 -4.508 3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.511 -4.872 3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.770 -5.574 0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.455 -5.096 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.087 -3.351 -0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.761 -2.831 1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.129 -3.295 1.169 1.00 0.00 H new ATOM 1180 N GLN A 76 -14.234 -7.975 7.223 1.00 0.00 N ATOM 1181 CA GLN A 76 -13.901 -8.007 8.631 1.00 0.00 C ATOM 1182 C GLN A 76 -14.070 -9.410 9.200 1.00 0.00 C ATOM 1183 O GLN A 76 -13.371 -9.809 10.134 1.00 0.00 O ATOM 1184 CB GLN A 76 -14.798 -7.022 9.366 1.00 0.00 C ATOM 1185 CG GLN A 76 -14.510 -5.570 9.020 1.00 0.00 C ATOM 1186 CD GLN A 76 -15.550 -4.618 9.575 1.00 0.00 C ATOM 1187 OE1 GLN A 76 -16.577 -4.348 8.785 1.00 0.00 O flip ATOM 1188 NE2 GLN A 76 -15.427 -4.122 10.696 1.00 0.00 N flip ATOM 0 H GLN A 76 -15.114 -7.502 7.017 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.856 -7.725 8.762 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.839 -7.244 9.131 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.677 -7.163 10.440 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.529 -5.296 9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -14.466 -5.461 7.936 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.619 -4.358 11.272 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.133 -3.476 11.048 1.00 0.00 H new ATOM 1197 N THR A 77 -14.999 -10.155 8.629 1.00 0.00 N ATOM 1198 CA THR A 77 -15.218 -11.528 9.027 1.00 0.00 C ATOM 1199 C THR A 77 -14.031 -12.395 8.615 1.00 0.00 C ATOM 1200 O THR A 77 -13.531 -13.203 9.399 1.00 0.00 O ATOM 1201 CB THR A 77 -16.499 -12.084 8.395 1.00 0.00 C ATOM 1202 OG1 THR A 77 -17.606 -11.232 8.714 1.00 0.00 O ATOM 1203 CG2 THR A 77 -16.773 -13.493 8.896 1.00 0.00 C ATOM 0 H THR A 77 -15.615 -9.828 7.885 1.00 0.00 H new ATOM 0 HA THR A 77 -15.324 -11.549 10.112 1.00 0.00 H new ATOM 0 HB THR A 77 -16.368 -12.118 7.313 1.00 0.00 H new ATOM 0 HG1 THR A 77 -18.422 -11.590 8.307 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.686 -13.871 8.437 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.938 -14.142 8.632 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.891 -13.477 9.979 1.00 0.00 H new ATOM 1211 N VAL A 78 -13.579 -12.206 7.381 1.00 0.00 N ATOM 1212 CA VAL A 78 -12.450 -12.950 6.856 1.00 0.00 C ATOM 1213 C VAL A 78 -11.171 -12.621 7.632 1.00 0.00 C ATOM 1214 O VAL A 78 -10.316 -13.487 7.823 1.00 0.00 O ATOM 1215 CB VAL A 78 -12.260 -12.667 5.350 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -11.107 -13.473 4.783 1.00 0.00 C ATOM 1217 CG2 VAL A 78 -13.541 -12.969 4.587 1.00 0.00 C ATOM 0 H VAL A 78 -13.983 -11.538 6.725 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.660 -14.012 6.981 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.023 -11.609 5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.997 -13.253 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.187 -13.209 5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.307 -14.536 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.390 -12.764 3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.805 -14.018 4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.347 -12.341 4.967 1.00 0.00 H new ATOM 1227 N GLN A 79 -11.054 -11.376 8.104 1.00 0.00 N ATOM 1228 CA GLN A 79 -9.938 -10.981 8.954 1.00 0.00 C ATOM 1229 C GLN A 79 -9.822 -11.926 10.147 1.00 0.00 C ATOM 1230 O GLN A 79 -8.737 -12.389 10.493 1.00 0.00 O ATOM 1231 CB GLN A 79 -10.140 -9.553 9.461 1.00 0.00 C ATOM 1232 CG GLN A 79 -10.092 -8.480 8.383 1.00 0.00 C ATOM 1233 CD GLN A 79 -10.381 -7.097 8.937 1.00 0.00 C ATOM 1234 OE1 GLN A 79 -11.106 -6.949 9.923 1.00 0.00 O ATOM 1235 NE2 GLN A 79 -9.841 -6.075 8.295 1.00 0.00 N ATOM 0 H GLN A 79 -11.720 -10.629 7.909 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.023 -11.030 8.364 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.103 -9.495 9.968 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.374 -9.335 10.205 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.108 -8.483 7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.818 -8.717 7.605 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.246 -6.240 7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.019 -5.122 8.612 1.00 0.00 H new ATOM 1244 N GLY A 80 -10.961 -12.221 10.758 1.00 0.00 N ATOM 1245 CA GLY A 80 -10.990 -13.116 11.894 1.00 0.00 C ATOM 1246 C GLY A 80 -11.314 -14.544 11.498 1.00 0.00 C ATOM 1247 O GLY A 80 -11.871 -15.305 12.289 1.00 0.00 O ATOM 0 H GLY A 80 -11.872 -11.852 10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.023 -13.092 12.397 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.731 -12.764 12.611 1.00 0.00 H new ATOM 1251 N ALA A 81 -10.984 -14.902 10.266 1.00 0.00 N ATOM 1252 CA ALA A 81 -11.197 -16.256 9.777 1.00 0.00 C ATOM 1253 C ALA A 81 -9.876 -16.994 9.628 1.00 0.00 C ATOM 1254 O ALA A 81 -9.733 -18.124 10.089 1.00 0.00 O ATOM 1255 CB ALA A 81 -11.951 -16.228 8.459 1.00 0.00 C ATOM 0 H ALA A 81 -10.566 -14.270 9.584 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.800 -16.794 10.509 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.103 -17.248 8.105 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.918 -15.746 8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.374 -15.670 7.721 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.904 -16.341 9.001 1.00 0.00 N ATOM 1262 CA LEU A 82 -7.606 -16.949 8.744 1.00 0.00 C ATOM 1263 C LEU A 82 -6.710 -16.909 9.971 1.00 0.00 C ATOM 1264 O LEU A 82 -5.526 -17.227 9.903 1.00 0.00 O ATOM 1265 CB LEU A 82 -6.935 -16.259 7.561 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.654 -16.449 6.229 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -7.865 -17.923 5.938 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -8.948 -15.671 6.188 1.00 0.00 C ATOM 0 H LEU A 82 -8.993 -15.384 8.660 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.768 -17.999 8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.863 -15.192 7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.916 -16.635 7.467 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.020 -16.048 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.379 -18.035 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.899 -18.427 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.468 -18.367 6.730 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.436 -15.827 5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.604 -16.014 6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.739 -14.610 6.320 1.00 0.00 H new ATOM 1280 N SER A 83 -7.291 -16.544 11.096 1.00 0.00 N ATOM 1281 CA SER A 83 -6.563 -16.502 12.352 1.00 0.00 C ATOM 1282 C SER A 83 -6.622 -17.866 13.030 1.00 0.00 C ATOM 1283 O SER A 83 -5.678 -18.286 13.698 1.00 0.00 O ATOM 1284 CB SER A 83 -7.139 -15.416 13.268 1.00 0.00 C ATOM 1285 OG SER A 83 -6.382 -15.297 14.462 1.00 0.00 O ATOM 0 H SER A 83 -8.271 -16.270 11.168 1.00 0.00 H new ATOM 0 HA SER A 83 -5.520 -16.257 12.150 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.148 -14.461 12.743 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.174 -15.654 13.513 1.00 0.00 H new ATOM 0 HG SER A 83 -6.770 -14.597 15.027 1.00 0.00 H new ATOM 1291 N GLY A 84 -7.730 -18.566 12.832 1.00 0.00 N ATOM 1292 CA GLY A 84 -7.890 -19.880 13.416 1.00 0.00 C ATOM 1293 C GLY A 84 -7.305 -20.972 12.543 1.00 0.00 C ATOM 1294 O GLY A 84 -7.219 -22.127 12.958 1.00 0.00 O ATOM 0 H GLY A 84 -8.522 -18.245 12.276 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.408 -19.902 14.393 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.950 -20.076 13.579 1.00 0.00 H new ATOM 1298 N GLY A 85 -6.898 -20.602 11.335 1.00 0.00 N ATOM 1299 CA GLY A 85 -6.354 -21.562 10.408 1.00 0.00 C ATOM 1300 C GLY A 85 -7.194 -21.641 9.157 1.00 0.00 C ATOM 1301 O GLY A 85 -8.413 -21.477 9.213 1.00 0.00 O ATOM 0 H GLY A 85 -6.938 -19.645 10.984 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.333 -21.283 10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.306 -22.543 10.881 1.00 0.00 H new ATOM 1305 N ILE A 86 -6.552 -21.882 8.028 1.00 0.00 N ATOM 1306 CA ILE A 86 -7.259 -21.972 6.761 1.00 0.00 C ATOM 1307 C ILE A 86 -8.006 -23.301 6.678 1.00 0.00 C ATOM 1308 O ILE A 86 -8.947 -23.459 5.903 1.00 0.00 O ATOM 1309 CB ILE A 86 -6.284 -21.827 5.576 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -7.042 -21.643 4.258 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -5.367 -23.035 5.508 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.146 -21.279 3.097 1.00 0.00 C ATOM 0 H ILE A 86 -5.543 -22.019 7.961 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.979 -21.155 6.706 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.677 -20.935 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.574 -22.564 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.794 -20.864 4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.681 -22.924 4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.797 -23.112 6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.963 -23.937 5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.748 -21.164 2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.633 -20.342 3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.410 -22.068 2.944 1.00 0.00 H new ATOM 1324 N ASP A 87 -7.575 -24.246 7.506 1.00 0.00 N ATOM 1325 CA ASP A 87 -8.246 -25.535 7.624 1.00 0.00 C ATOM 1326 C ASP A 87 -9.661 -25.338 8.151 1.00 0.00 C ATOM 1327 O ASP A 87 -10.611 -25.955 7.669 1.00 0.00 O ATOM 1328 CB ASP A 87 -7.464 -26.448 8.572 1.00 0.00 C ATOM 1329 CG ASP A 87 -8.103 -27.813 8.738 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -7.678 -28.758 8.044 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -9.021 -27.953 9.574 1.00 0.00 O ATOM 0 H ASP A 87 -6.759 -24.142 8.109 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.293 -26.000 6.639 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.449 -26.571 8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.385 -25.968 9.548 1.00 0.00 H new ATOM 1336 N GLY A 88 -9.793 -24.454 9.133 1.00 0.00 N ATOM 1337 CA GLY A 88 -11.086 -24.182 9.726 1.00 0.00 C ATOM 1338 C GLY A 88 -11.803 -23.043 9.036 1.00 0.00 C ATOM 1339 O GLY A 88 -12.875 -22.616 9.471 1.00 0.00 O ATOM 0 H GLY A 88 -9.021 -23.918 9.530 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.702 -25.080 9.677 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.956 -23.941 10.781 1.00 0.00 H new ATOM 1343 N PHE A 89 -11.211 -22.545 7.958 1.00 0.00 N ATOM 1344 CA PHE A 89 -11.825 -21.486 7.182 1.00 0.00 C ATOM 1345 C PHE A 89 -13.030 -22.039 6.442 1.00 0.00 C ATOM 1346 O PHE A 89 -12.923 -22.982 5.657 1.00 0.00 O ATOM 1347 CB PHE A 89 -10.831 -20.873 6.189 1.00 0.00 C ATOM 1348 CG PHE A 89 -11.360 -19.662 5.461 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.976 -18.390 5.844 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -12.226 -19.796 4.385 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.444 -17.277 5.177 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -12.701 -18.685 3.716 1.00 0.00 C ATOM 1353 CZ PHE A 89 -12.309 -17.422 4.111 1.00 0.00 C ATOM 0 H PHE A 89 -10.307 -22.860 7.605 1.00 0.00 H new ATOM 0 HA PHE A 89 -12.141 -20.696 7.863 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.923 -20.595 6.724 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.550 -21.630 5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.300 -18.266 6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -12.532 -20.781 4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -11.133 -16.291 5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -13.379 -18.805 2.884 1.00 0.00 H new ATOM 0 HZ PHE A 89 -12.677 -16.551 3.589 1.00 0.00 H new ATOM 1363 N GLY A 90 -14.170 -21.455 6.714 1.00 0.00 N ATOM 1364 CA GLY A 90 -15.391 -21.883 6.090 1.00 0.00 C ATOM 1365 C GLY A 90 -16.575 -21.224 6.737 1.00 0.00 C ATOM 1366 O GLY A 90 -16.468 -20.088 7.206 1.00 0.00 O ATOM 0 H GLY A 90 -14.275 -20.678 7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -15.368 -21.639 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.484 -22.966 6.166 1.00 0.00 H new ATOM 1370 N SER A 91 -17.676 -21.945 6.825 1.00 0.00 N ATOM 1371 CA SER A 91 -18.911 -21.397 7.361 1.00 0.00 C ATOM 1372 C SER A 91 -18.846 -21.360 8.887 1.00 0.00 C ATOM 1373 O SER A 91 -19.806 -20.988 9.563 1.00 0.00 O ATOM 1374 CB SER A 91 -20.098 -22.242 6.883 1.00 0.00 C ATOM 1375 OG SER A 91 -21.263 -21.453 6.721 1.00 0.00 O ATOM 0 H SER A 91 -17.742 -22.919 6.530 1.00 0.00 H new ATOM 0 HA SER A 91 -19.044 -20.377 7.002 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.847 -22.722 5.937 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.293 -23.038 7.602 1.00 0.00 H new ATOM 0 HG SER A 91 -22.002 -22.019 6.414 1.00 0.00 H new ATOM 1381 N ASN A 92 -17.696 -21.760 9.421 1.00 0.00 N ATOM 1382 CA ASN A 92 -17.438 -21.695 10.849 1.00 0.00 C ATOM 1383 C ASN A 92 -17.142 -20.257 11.244 1.00 0.00 C ATOM 1384 O ASN A 92 -17.580 -19.780 12.294 1.00 0.00 O ATOM 1385 CB ASN A 92 -16.247 -22.586 11.219 1.00 0.00 C ATOM 1386 CG ASN A 92 -16.458 -24.039 10.844 1.00 0.00 C ATOM 1387 OD1 ASN A 92 -16.172 -24.449 9.719 1.00 0.00 O ATOM 1388 ND2 ASN A 92 -16.936 -24.832 11.786 1.00 0.00 N ATOM 0 H ASN A 92 -16.921 -22.137 8.875 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.319 -22.050 11.384 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.352 -22.214 10.720 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.066 -22.515 12.292 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -17.080 -25.823 11.593 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.161 -24.453 12.706 1.00 0.00 H new ATOM 1395 N ASN A 93 -16.412 -19.565 10.376 1.00 0.00 N ATOM 1396 CA ASN A 93 -16.024 -18.184 10.627 1.00 0.00 C ATOM 1397 C ASN A 93 -16.617 -17.263 9.580 1.00 0.00 C ATOM 1398 O ASN A 93 -17.425 -16.392 9.886 1.00 0.00 O ATOM 1399 CB ASN A 93 -14.502 -18.012 10.593 1.00 0.00 C ATOM 1400 CG ASN A 93 -13.765 -18.816 11.638 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -14.293 -19.123 12.705 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -12.519 -19.143 11.337 1.00 0.00 N ATOM 0 H ASN A 93 -16.076 -19.941 9.489 1.00 0.00 H new ATOM 0 HA ASN A 93 -16.400 -17.929 11.618 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.137 -18.298 9.606 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.264 -16.957 10.727 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -11.955 -19.671 12.003 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.122 -18.867 10.439 1.00 0.00 H new ATOM 1409 N ALA A 94 -16.214 -17.479 8.335 1.00 0.00 N ATOM 1410 CA ALA A 94 -16.532 -16.562 7.259 1.00 0.00 C ATOM 1411 C ALA A 94 -17.920 -16.826 6.710 1.00 0.00 C ATOM 1412 O ALA A 94 -18.125 -17.751 5.932 1.00 0.00 O ATOM 1413 CB ALA A 94 -15.488 -16.663 6.156 1.00 0.00 C ATOM 0 H ALA A 94 -15.663 -18.288 8.048 1.00 0.00 H new ATOM 0 HA ALA A 94 -16.520 -15.548 7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.738 -15.969 5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -14.507 -16.412 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.470 -17.680 5.764 1.00 0.00 H new ATOM 1419 N VAL A 95 -18.876 -16.026 7.140 1.00 0.00 N ATOM 1420 CA VAL A 95 -20.235 -16.142 6.649 1.00 0.00 C ATOM 1421 C VAL A 95 -20.824 -14.784 6.354 1.00 0.00 C ATOM 1422 O VAL A 95 -20.583 -13.818 7.080 1.00 0.00 O ATOM 1423 CB VAL A 95 -21.159 -16.865 7.644 1.00 0.00 C ATOM 1424 CG1 VAL A 95 -20.969 -18.368 7.541 1.00 0.00 C ATOM 1425 CG2 VAL A 95 -20.904 -16.392 9.070 1.00 0.00 C ATOM 0 H VAL A 95 -18.736 -15.287 7.830 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.173 -16.732 5.735 1.00 0.00 H new ATOM 0 HB VAL A 95 -22.191 -16.623 7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.629 -18.868 8.250 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.208 -18.697 6.530 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -19.933 -18.620 7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -21.570 -16.919 9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -19.869 -16.598 9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -21.090 -15.320 9.137 1.00 0.00 H new ATOM 1435 N THR A 96 -21.581 -14.714 5.282 1.00 0.00 N ATOM 1436 CA THR A 96 -22.341 -13.529 4.982 1.00 0.00 C ATOM 1437 C THR A 96 -23.677 -13.567 5.702 1.00 0.00 C ATOM 1438 O THR A 96 -24.508 -14.450 5.470 1.00 0.00 O ATOM 1439 CB THR A 96 -22.561 -13.353 3.473 1.00 0.00 C ATOM 1440 OG1 THR A 96 -22.954 -14.595 2.875 1.00 0.00 O ATOM 1441 CG2 THR A 96 -21.300 -12.819 2.810 1.00 0.00 C ATOM 0 H THR A 96 -21.685 -15.468 4.603 1.00 0.00 H new ATOM 0 HA THR A 96 -21.763 -12.674 5.332 1.00 0.00 H new ATOM 0 HB THR A 96 -23.362 -12.629 3.324 1.00 0.00 H new ATOM 0 HG1 THR A 96 -22.665 -14.613 1.939 1.00 0.00 H new ATOM 0 HG21 THR A 96 -21.474 -12.700 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.041 -11.854 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 96 -20.481 -13.520 2.969 1.00 0.00 H new ATOM 1449 N THR A 97 -23.857 -12.611 6.595 1.00 0.00 N ATOM 1450 CA THR A 97 -25.081 -12.465 7.371 1.00 0.00 C ATOM 1451 C THR A 97 -26.310 -12.198 6.493 1.00 0.00 C ATOM 1452 O THR A 97 -27.421 -12.046 7.001 1.00 0.00 O ATOM 1453 CB THR A 97 -24.920 -11.331 8.396 1.00 0.00 C ATOM 1454 OG1 THR A 97 -24.347 -10.180 7.759 1.00 0.00 O ATOM 1455 CG2 THR A 97 -24.036 -11.772 9.556 1.00 0.00 C ATOM 0 H THR A 97 -23.152 -11.905 6.806 1.00 0.00 H new ATOM 0 HA THR A 97 -25.249 -13.413 7.883 1.00 0.00 H new ATOM 0 HB THR A 97 -25.905 -11.078 8.789 1.00 0.00 H new ATOM 0 HG1 THR A 97 -24.247 -9.459 8.415 1.00 0.00 H new ATOM 0 HG21 THR A 97 -23.936 -10.954 10.269 1.00 0.00 H new ATOM 0 HG22 THR A 97 -24.488 -12.632 10.051 1.00 0.00 H new ATOM 0 HG23 THR A 97 -23.051 -12.047 9.179 1.00 0.00 H new ATOM 1463 N CYS A 98 -26.108 -12.141 5.177 1.00 0.00 N ATOM 1464 CA CYS A 98 -27.214 -12.031 4.234 1.00 0.00 C ATOM 1465 C CYS A 98 -27.951 -13.365 4.142 1.00 0.00 C ATOM 1466 O CYS A 98 -29.070 -13.439 3.631 1.00 0.00 O ATOM 1467 CB CYS A 98 -26.703 -11.642 2.845 1.00 0.00 C ATOM 1468 SG CYS A 98 -25.626 -10.176 2.821 1.00 0.00 S ATOM 0 H CYS A 98 -25.186 -12.169 4.742 1.00 0.00 H new ATOM 0 HA CYS A 98 -27.893 -11.257 4.591 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -26.157 -12.486 2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -27.559 -11.459 2.195 1.00 0.00 H new