USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot 180:sc= 0.232! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -15.8! C(o=-21!,f=-16!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -165:sc= -0.333 (180deg=-1.01) USER MOD Set 2.2: A 67 HIS : no HD1:sc= -0.458 K(o=-0.79,f=-4.7) USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= -0.0471 (180deg=-0.486) USER MOD Single : A 7 MET CE :methyl -123:sc= -0.0812 (180deg=-2.2!) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.0473 (180deg=-0.599) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= -1.14 (180deg=-1.97) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.54 F(o=-5.9!,f=-1.5) USER MOD Single : A 31 THR OG1 : rot -22:sc= 0.0402 USER MOD Single : A 40 HIS : no HE2:sc= -3.11! C(o=-3.1!,f=-6.5!) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.99 USER MOD Single : A 45 CYS SG : rot 29:sc= -0.433! USER MOD Single : A 47 GLN :FLIP amide:sc= -2.2! C(o=-5.3!,f=-2.2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= 0.358! C(o=-13!,f=0.36!) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= -0.153 (180deg=-0.889) USER MOD Single : A 68 HIS : no HD1:sc= -0.321 K(o=-0.32,f=-3.6!) USER MOD Single : A 70 THR OG1 : rot 127:sc= -3.73! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -130:sc= -0.583 USER MOD Single : A 80 HIS : no HD1:sc= -6.3! C(o=-6.3!,f=-11!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 170:sc= -3.4! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -123:sc= -0.733 (180deg=-3.91!) USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= -0.0841 (180deg=-0.552) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.879 USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.453) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0177! USER MOD Single : A 111 GLN : amide:sc= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -175:sc= -0.346 (180deg=-0.39) USER MOD Single : A 118 GLN : amide:sc= -2.12! C(o=-2.1!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.790 -8.045 86.001 1.00 0.00 N ATOM 44 CA LYS A 4 -6.545 -7.734 87.433 1.00 0.00 C ATOM 45 C LYS A 4 -5.976 -8.965 88.137 1.00 0.00 C ATOM 46 O LYS A 4 -4.847 -8.963 88.584 1.00 0.00 O ATOM 47 CB LYS A 4 -7.857 -7.323 88.095 1.00 0.00 C ATOM 48 CG LYS A 4 -8.493 -6.182 87.300 1.00 0.00 C ATOM 49 CD LYS A 4 -9.734 -5.675 88.037 1.00 0.00 C ATOM 50 CE LYS A 4 -10.540 -4.767 87.109 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.171 -5.590 86.039 1.00 0.00 N ATOM 0 HA LYS A 4 -5.829 -6.916 87.509 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.537 -8.174 88.138 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.675 -7.008 89.122 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.777 -5.371 87.172 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.765 -6.527 86.303 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.346 -6.516 88.363 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.440 -5.129 88.933 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.306 -4.237 87.675 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.891 -4.011 86.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.017 -5.103 85.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.494 -5.726 85.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.443 -6.516 86.428 1.00 0.00 H new ATOM 65 N GLU A 5 -6.749 -10.019 88.233 1.00 0.00 N ATOM 66 CA GLU A 5 -6.258 -11.259 88.911 1.00 0.00 C ATOM 67 C GLU A 5 -4.823 -11.551 88.464 1.00 0.00 C ATOM 68 O GLU A 5 -4.014 -12.050 89.220 1.00 0.00 O ATOM 69 CB GLU A 5 -7.163 -12.438 88.519 1.00 0.00 C ATOM 70 CG GLU A 5 -8.392 -12.486 89.434 1.00 0.00 C ATOM 71 CD GLU A 5 -9.457 -13.391 88.809 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.082 -14.370 88.185 1.00 0.00 O ATOM 73 OE2 GLU A 5 -10.628 -13.089 88.966 1.00 0.00 O ATOM 0 H GLU A 5 -7.701 -10.074 87.870 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.280 -11.120 89.992 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.477 -12.336 87.480 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.608 -13.373 88.593 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.112 -12.862 90.418 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.791 -11.482 89.578 1.00 0.00 H new ATOM 80 N PHE A 6 -4.503 -11.237 87.243 1.00 0.00 N ATOM 81 CA PHE A 6 -3.127 -11.491 86.750 1.00 0.00 C ATOM 82 C PHE A 6 -2.162 -10.612 87.562 1.00 0.00 C ATOM 83 O PHE A 6 -1.511 -11.084 88.468 1.00 0.00 O ATOM 84 CB PHE A 6 -3.056 -11.149 85.250 1.00 0.00 C ATOM 85 CG PHE A 6 -1.920 -11.885 84.546 1.00 0.00 C ATOM 86 CD1 PHE A 6 -0.777 -12.336 85.238 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.022 -12.111 83.166 1.00 0.00 C ATOM 88 CE1 PHE A 6 0.243 -13.002 84.546 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.998 -12.775 82.480 1.00 0.00 C ATOM 90 CZ PHE A 6 0.133 -13.219 83.170 1.00 0.00 C ATOM 0 H PHE A 6 -5.137 -10.815 86.565 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.852 -12.538 86.873 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.003 -11.406 84.775 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.920 -10.074 85.130 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.688 -12.168 86.301 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.895 -11.771 82.629 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.117 -13.349 85.078 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.082 -12.944 81.417 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.923 -13.730 82.639 1.00 0.00 H new ATOM 100 N MET A 7 -2.059 -9.346 87.244 1.00 0.00 N ATOM 101 CA MET A 7 -1.124 -8.455 88.000 1.00 0.00 C ATOM 102 C MET A 7 -1.373 -8.577 89.505 1.00 0.00 C ATOM 103 O MET A 7 -0.454 -8.621 90.296 1.00 0.00 O ATOM 104 CB MET A 7 -1.316 -6.995 87.558 1.00 0.00 C ATOM 105 CG MET A 7 -2.570 -6.393 88.207 1.00 0.00 C ATOM 106 SD MET A 7 -3.056 -4.898 87.309 1.00 0.00 S ATOM 107 CE MET A 7 -3.796 -5.702 85.861 1.00 0.00 C ATOM 0 H MET A 7 -2.581 -8.891 86.495 1.00 0.00 H new ATOM 0 HA MET A 7 -0.101 -8.763 87.786 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.440 -6.408 87.834 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.403 -6.947 86.473 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.383 -7.119 88.194 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.373 -6.154 89.252 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.299 -5.351 84.956 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.678 -6.782 85.945 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.857 -5.456 85.811 1.00 0.00 H new ATOM 117 N TRP A 8 -2.611 -8.602 89.904 1.00 0.00 N ATOM 118 CA TRP A 8 -2.928 -8.687 91.361 1.00 0.00 C ATOM 119 C TRP A 8 -2.093 -9.778 92.050 1.00 0.00 C ATOM 120 O TRP A 8 -1.873 -9.727 93.244 1.00 0.00 O ATOM 121 CB TRP A 8 -4.422 -8.994 91.539 1.00 0.00 C ATOM 122 CG TRP A 8 -4.859 -8.649 92.930 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.868 -9.503 93.979 1.00 0.00 C ATOM 124 CD2 TRP A 8 -5.357 -7.376 93.436 1.00 0.00 C ATOM 125 NE1 TRP A 8 -5.340 -8.835 95.095 1.00 0.00 N ATOM 126 CE2 TRP A 8 -5.652 -7.522 94.811 1.00 0.00 C ATOM 127 CE3 TRP A 8 -5.574 -6.120 92.840 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -6.153 -6.463 95.569 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -6.077 -5.051 93.600 1.00 0.00 C ATOM 130 CH2 TRP A 8 -6.364 -5.222 94.962 1.00 0.00 C ATOM 0 H TRP A 8 -3.422 -8.567 89.286 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.684 -7.730 91.823 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.006 -8.426 90.815 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.610 -10.050 91.342 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.558 -10.537 93.950 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.444 -9.262 96.016 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -5.353 -5.977 91.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.376 -6.601 96.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -6.244 -4.092 93.133 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.748 -4.395 95.541 1.00 0.00 H new ATOM 141 N ALA A 9 -1.634 -10.770 91.333 1.00 0.00 N ATOM 142 CA ALA A 9 -0.841 -11.847 91.977 1.00 0.00 C ATOM 143 C ALA A 9 0.645 -11.484 92.014 1.00 0.00 C ATOM 144 O ALA A 9 1.292 -11.617 93.034 1.00 0.00 O ATOM 145 CB ALA A 9 -1.043 -13.149 91.201 1.00 0.00 C ATOM 0 H ALA A 9 -1.776 -10.877 90.329 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.183 -11.972 93.005 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.463 -13.945 91.668 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.099 -13.417 91.209 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.710 -13.014 90.172 1.00 0.00 H new ATOM 151 N LEU A 10 1.201 -11.033 90.927 1.00 0.00 N ATOM 152 CA LEU A 10 2.648 -10.678 90.949 1.00 0.00 C ATOM 153 C LEU A 10 2.884 -9.607 92.007 1.00 0.00 C ATOM 154 O LEU A 10 4.000 -9.220 92.293 1.00 0.00 O ATOM 155 CB LEU A 10 3.087 -10.117 89.593 1.00 0.00 C ATOM 156 CG LEU A 10 2.856 -11.152 88.464 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.618 -10.791 87.650 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.050 -11.172 87.507 1.00 0.00 C ATOM 0 H LEU A 10 0.726 -10.895 90.035 1.00 0.00 H new ATOM 0 HA LEU A 10 3.222 -11.578 91.172 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.531 -9.205 89.375 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.142 -9.845 89.632 1.00 0.00 H new ATOM 0 HG LEU A 10 2.728 -12.127 88.934 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.473 -11.530 86.862 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.745 -10.779 88.302 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.751 -9.806 87.203 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.873 -11.904 86.719 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.177 -10.185 87.063 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.952 -11.441 88.056 1.00 0.00 H new ATOM 170 N LYS A 11 1.822 -9.096 92.538 1.00 0.00 N ATOM 171 CA LYS A 11 1.896 -8.000 93.538 1.00 0.00 C ATOM 172 C LYS A 11 1.981 -8.515 94.983 1.00 0.00 C ATOM 173 O LYS A 11 2.980 -8.359 95.655 1.00 0.00 O ATOM 174 CB LYS A 11 0.604 -7.222 93.366 1.00 0.00 C ATOM 175 CG LYS A 11 0.359 -6.267 94.543 1.00 0.00 C ATOM 176 CD LYS A 11 -0.731 -5.265 94.164 1.00 0.00 C ATOM 177 CE LYS A 11 -1.233 -4.553 95.420 1.00 0.00 C ATOM 178 NZ LYS A 11 -0.072 -4.148 96.261 1.00 0.00 N ATOM 0 H LYS A 11 0.874 -9.399 92.316 1.00 0.00 H new ATOM 0 HA LYS A 11 2.794 -7.405 93.374 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.642 -6.653 92.437 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.231 -7.917 93.280 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.059 -6.830 95.427 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.279 -5.741 94.797 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.339 -4.537 93.454 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.556 -5.779 93.671 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.819 -3.676 95.144 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.892 -5.212 95.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.359 -3.382 96.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.254 -4.963 96.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.701 -3.816 95.649 1.00 0.00 H new ATOM 192 N ASN A 12 0.906 -9.066 95.477 1.00 0.00 N ATOM 193 CA ASN A 12 0.867 -9.523 96.889 1.00 0.00 C ATOM 194 C ASN A 12 1.580 -10.861 97.038 1.00 0.00 C ATOM 195 O ASN A 12 1.430 -11.546 98.031 1.00 0.00 O ATOM 196 CB ASN A 12 -0.603 -9.672 97.298 1.00 0.00 C ATOM 197 CG ASN A 12 -1.145 -8.332 97.807 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.650 -7.794 98.775 1.00 0.00 O ATOM 199 ND2 ASN A 12 -2.145 -7.768 97.189 1.00 0.00 N ATOM 0 H ASN A 12 0.044 -9.219 94.953 1.00 0.00 H new ATOM 0 HA ASN A 12 1.372 -8.797 97.527 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.193 -10.012 96.447 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.698 -10.430 98.075 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.511 -6.875 97.520 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.562 -8.220 96.375 1.00 0.00 H new ATOM 206 N GLY A 13 2.359 -11.234 96.080 1.00 0.00 N ATOM 207 CA GLY A 13 3.079 -12.513 96.191 1.00 0.00 C ATOM 208 C GLY A 13 2.099 -13.673 96.090 1.00 0.00 C ATOM 209 O GLY A 13 2.383 -14.760 96.549 1.00 0.00 O ATOM 0 H GLY A 13 2.529 -10.708 95.223 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.827 -12.588 95.402 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.612 -12.558 97.141 1.00 0.00 H new ATOM 213 N ASP A 14 0.955 -13.470 95.486 1.00 0.00 N ATOM 214 CA ASP A 14 0.003 -14.596 95.349 1.00 0.00 C ATOM 215 C ASP A 14 0.608 -15.543 94.341 1.00 0.00 C ATOM 216 O ASP A 14 0.030 -15.886 93.328 1.00 0.00 O ATOM 217 CB ASP A 14 -1.353 -14.107 94.858 1.00 0.00 C ATOM 218 CG ASP A 14 -1.663 -12.739 95.464 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.997 -12.370 96.417 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.565 -12.084 94.969 1.00 0.00 O ATOM 0 H ASP A 14 0.648 -12.582 95.089 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.161 -15.082 96.311 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.353 -14.041 93.770 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.129 -14.821 95.134 1.00 0.00 H new ATOM 225 N LEU A 15 1.797 -15.915 94.622 1.00 0.00 N ATOM 226 CA LEU A 15 2.562 -16.793 93.742 1.00 0.00 C ATOM 227 C LEU A 15 1.707 -18.005 93.348 1.00 0.00 C ATOM 228 O LEU A 15 1.864 -18.589 92.297 1.00 0.00 O ATOM 229 CB LEU A 15 3.831 -17.164 94.509 1.00 0.00 C ATOM 230 CG LEU A 15 4.720 -18.125 93.716 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.146 -19.554 93.742 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.874 -17.622 92.267 1.00 0.00 C ATOM 0 H LEU A 15 2.294 -15.633 95.467 1.00 0.00 H new ATOM 0 HA LEU A 15 2.840 -16.316 92.802 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.392 -16.259 94.741 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.559 -17.623 95.460 1.00 0.00 H new ATOM 0 HG LEU A 15 5.704 -18.155 94.183 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.796 -20.218 93.172 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.086 -19.903 94.773 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.150 -19.554 93.300 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.508 -18.311 91.708 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.893 -17.567 91.795 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.330 -16.632 92.272 1.00 0.00 H new ATOM 244 N ASP A 16 0.786 -18.361 94.179 1.00 0.00 N ATOM 245 CA ASP A 16 -0.112 -19.502 93.876 1.00 0.00 C ATOM 246 C ASP A 16 -0.998 -19.170 92.662 1.00 0.00 C ATOM 247 O ASP A 16 -1.400 -20.043 91.917 1.00 0.00 O ATOM 248 CB ASP A 16 -1.001 -19.753 95.090 1.00 0.00 C ATOM 249 CG ASP A 16 -0.154 -20.295 96.243 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.261 -21.439 96.157 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.065 -19.559 97.190 1.00 0.00 O ATOM 0 H ASP A 16 0.610 -17.904 95.074 1.00 0.00 H new ATOM 0 HA ASP A 16 0.484 -20.386 93.648 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.493 -18.828 95.390 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.787 -20.465 94.837 1.00 0.00 H new ATOM 256 N GLU A 17 -1.322 -17.915 92.473 1.00 0.00 N ATOM 257 CA GLU A 17 -2.202 -17.519 91.322 1.00 0.00 C ATOM 258 C GLU A 17 -1.394 -17.513 90.014 1.00 0.00 C ATOM 259 O GLU A 17 -1.808 -18.072 89.017 1.00 0.00 O ATOM 260 CB GLU A 17 -2.776 -16.113 91.588 1.00 0.00 C ATOM 261 CG GLU A 17 -4.141 -16.216 92.289 1.00 0.00 C ATOM 262 CD GLU A 17 -5.229 -16.532 91.258 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.456 -15.704 90.391 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.817 -17.597 91.352 1.00 0.00 O ATOM 0 H GLU A 17 -1.016 -17.143 93.066 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.016 -18.237 91.225 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.084 -15.542 92.207 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.883 -15.573 90.647 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.111 -16.995 93.051 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.370 -15.280 92.799 1.00 0.00 H new ATOM 271 N VAL A 18 -0.248 -16.901 90.012 1.00 0.00 N ATOM 272 CA VAL A 18 0.581 -16.881 88.768 1.00 0.00 C ATOM 273 C VAL A 18 0.992 -18.332 88.478 1.00 0.00 C ATOM 274 O VAL A 18 1.184 -18.726 87.344 1.00 0.00 O ATOM 275 CB VAL A 18 1.861 -16.015 88.994 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.752 -14.625 88.349 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.105 -15.834 90.489 1.00 0.00 C ATOM 0 H VAL A 18 0.155 -16.413 90.812 1.00 0.00 H new ATOM 0 HA VAL A 18 0.019 -16.455 87.937 1.00 0.00 H new ATOM 0 HB VAL A 18 2.688 -16.546 88.524 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.668 -14.064 88.536 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.606 -14.733 87.274 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.905 -14.090 88.779 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.999 -15.229 90.641 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.248 -15.334 90.940 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.243 -16.809 90.956 1.00 0.00 H new ATOM 287 N LYS A 19 1.127 -19.120 89.510 1.00 0.00 N ATOM 288 CA LYS A 19 1.519 -20.539 89.339 1.00 0.00 C ATOM 289 C LYS A 19 0.485 -21.246 88.462 1.00 0.00 C ATOM 290 O LYS A 19 0.806 -22.134 87.701 1.00 0.00 O ATOM 291 CB LYS A 19 1.587 -21.170 90.741 1.00 0.00 C ATOM 292 CG LYS A 19 1.911 -22.673 90.694 1.00 0.00 C ATOM 293 CD LYS A 19 3.393 -22.908 90.364 1.00 0.00 C ATOM 294 CE LYS A 19 4.321 -22.348 91.459 1.00 0.00 C ATOM 295 NZ LYS A 19 3.668 -22.461 92.793 1.00 0.00 N ATOM 0 H LYS A 19 0.979 -18.831 90.477 1.00 0.00 H new ATOM 0 HA LYS A 19 2.488 -20.631 88.849 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.346 -20.656 91.331 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.634 -21.022 91.249 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.672 -23.130 91.654 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.287 -23.160 89.945 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.574 -23.976 90.246 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.632 -22.437 89.410 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.265 -22.894 91.460 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.556 -21.305 91.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.375 -22.307 93.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.918 -21.745 92.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.254 -23.409 92.898 1.00 0.00 H new ATOM 309 N ASP A 20 -0.749 -20.854 88.562 1.00 0.00 N ATOM 310 CA ASP A 20 -1.807 -21.496 87.735 1.00 0.00 C ATOM 311 C ASP A 20 -1.649 -21.080 86.263 1.00 0.00 C ATOM 312 O ASP A 20 -1.931 -21.842 85.353 1.00 0.00 O ATOM 313 CB ASP A 20 -3.192 -21.065 88.251 1.00 0.00 C ATOM 314 CG ASP A 20 -4.251 -22.091 87.824 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.333 -23.128 88.461 1.00 0.00 O ATOM 316 OD2 ASP A 20 -4.960 -21.821 86.867 1.00 0.00 O ATOM 0 H ASP A 20 -1.075 -20.113 89.183 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.712 -22.579 87.808 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.174 -20.978 89.337 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.447 -20.081 87.857 1.00 0.00 H new ATOM 321 N TYR A 21 -1.218 -19.871 86.023 1.00 0.00 N ATOM 322 CA TYR A 21 -1.064 -19.394 84.616 1.00 0.00 C ATOM 323 C TYR A 21 -0.019 -20.234 83.858 1.00 0.00 C ATOM 324 O TYR A 21 -0.345 -20.908 82.903 1.00 0.00 O ATOM 325 CB TYR A 21 -0.649 -17.907 84.627 1.00 0.00 C ATOM 326 CG TYR A 21 -1.880 -17.026 84.690 1.00 0.00 C ATOM 327 CD1 TYR A 21 -2.490 -16.752 85.920 1.00 0.00 C ATOM 328 CD2 TYR A 21 -2.409 -16.483 83.513 1.00 0.00 C ATOM 329 CE1 TYR A 21 -3.634 -15.946 85.972 1.00 0.00 C ATOM 330 CE2 TYR A 21 -3.552 -15.674 83.564 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.162 -15.402 84.795 1.00 0.00 C ATOM 332 OH TYR A 21 -5.291 -14.607 84.845 1.00 0.00 O ATOM 0 H TYR A 21 -0.965 -19.191 86.740 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.018 -19.505 84.100 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.004 -17.707 85.483 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.071 -17.675 83.732 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.078 -17.163 86.830 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.935 -16.688 82.564 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.109 -15.744 86.921 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.962 -15.260 82.655 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.523 -14.311 83.940 1.00 0.00 H new ATOM 342 N VAL A 22 1.229 -20.186 84.240 1.00 0.00 N ATOM 343 CA VAL A 22 2.249 -20.973 83.485 1.00 0.00 C ATOM 344 C VAL A 22 2.016 -22.471 83.677 1.00 0.00 C ATOM 345 O VAL A 22 2.473 -23.281 82.893 1.00 0.00 O ATOM 346 CB VAL A 22 3.678 -20.562 83.921 1.00 0.00 C ATOM 347 CG1 VAL A 22 4.230 -21.482 85.022 1.00 0.00 C ATOM 348 CG2 VAL A 22 4.620 -20.627 82.717 1.00 0.00 C ATOM 0 H VAL A 22 1.584 -19.646 85.029 1.00 0.00 H new ATOM 0 HA VAL A 22 2.148 -20.754 82.422 1.00 0.00 H new ATOM 0 HB VAL A 22 3.619 -19.547 84.315 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.234 -21.158 85.298 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.580 -21.434 85.896 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.268 -22.507 84.654 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.625 -20.338 83.025 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.639 -21.644 82.325 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.268 -19.946 81.942 1.00 0.00 H new ATOM 358 N ALA A 23 1.301 -22.854 84.695 1.00 0.00 N ATOM 359 CA ALA A 23 1.044 -24.302 84.895 1.00 0.00 C ATOM 360 C ALA A 23 0.440 -24.836 83.604 1.00 0.00 C ATOM 361 O ALA A 23 0.584 -25.991 83.254 1.00 0.00 O ATOM 362 CB ALA A 23 0.050 -24.491 86.035 1.00 0.00 C ATOM 0 H ALA A 23 0.887 -22.233 85.390 1.00 0.00 H new ATOM 0 HA ALA A 23 1.966 -24.829 85.142 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.138 -25.555 86.181 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.461 -24.066 86.951 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.885 -23.988 85.790 1.00 0.00 H new ATOM 368 N LYS A 24 -0.220 -23.972 82.888 1.00 0.00 N ATOM 369 CA LYS A 24 -0.827 -24.373 81.595 1.00 0.00 C ATOM 370 C LYS A 24 0.280 -24.831 80.643 1.00 0.00 C ATOM 371 O LYS A 24 0.586 -26.005 80.546 1.00 0.00 O ATOM 372 CB LYS A 24 -1.565 -23.171 80.980 1.00 0.00 C ATOM 373 CG LYS A 24 -2.922 -22.970 81.681 1.00 0.00 C ATOM 374 CD LYS A 24 -3.992 -23.845 81.009 1.00 0.00 C ATOM 375 CE LYS A 24 -5.174 -24.044 81.963 1.00 0.00 C ATOM 376 NZ LYS A 24 -6.340 -24.576 81.205 1.00 0.00 N ATOM 0 H LYS A 24 -0.365 -22.996 83.147 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.534 -25.187 81.758 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.958 -22.271 81.080 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.718 -23.335 79.913 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.838 -23.229 82.736 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.214 -21.921 81.633 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.333 -23.375 80.087 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.566 -24.811 80.736 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.899 -24.735 82.760 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.436 -23.098 82.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.143 -24.711 81.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.606 -23.902 80.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.087 -25.487 80.773 1.00 0.00 H new ATOM 390 N GLY A 25 0.884 -23.910 79.939 1.00 0.00 N ATOM 391 CA GLY A 25 1.969 -24.291 78.991 1.00 0.00 C ATOM 392 C GLY A 25 2.829 -23.078 78.613 1.00 0.00 C ATOM 393 O GLY A 25 2.568 -22.402 77.640 1.00 0.00 O ATOM 0 H GLY A 25 0.673 -22.913 79.980 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.597 -25.058 79.443 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.533 -24.725 78.091 1.00 0.00 H new ATOM 397 N GLU A 26 3.866 -22.834 79.371 1.00 0.00 N ATOM 398 CA GLU A 26 4.807 -21.696 79.090 1.00 0.00 C ATOM 399 C GLU A 26 4.089 -20.484 78.481 1.00 0.00 C ATOM 400 O GLU A 26 3.796 -20.435 77.302 1.00 0.00 O ATOM 401 CB GLU A 26 5.947 -22.163 78.164 1.00 0.00 C ATOM 402 CG GLU A 26 5.414 -23.155 77.126 1.00 0.00 C ATOM 403 CD GLU A 26 6.548 -23.573 76.188 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.571 -24.013 76.686 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.372 -23.449 74.987 1.00 0.00 O ATOM 0 H GLU A 26 4.110 -23.386 80.193 1.00 0.00 H new ATOM 0 HA GLU A 26 5.224 -21.377 80.045 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.392 -21.304 77.662 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.735 -22.631 78.754 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.999 -24.031 77.625 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.605 -22.700 76.555 1.00 0.00 H new ATOM 412 N ASP A 27 3.843 -19.491 79.286 1.00 0.00 N ATOM 413 CA ASP A 27 3.186 -18.247 78.799 1.00 0.00 C ATOM 414 C ASP A 27 3.745 -17.084 79.620 1.00 0.00 C ATOM 415 O ASP A 27 3.015 -16.286 80.175 1.00 0.00 O ATOM 416 CB ASP A 27 1.670 -18.355 79.001 1.00 0.00 C ATOM 417 CG ASP A 27 1.128 -19.517 78.164 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.214 -20.643 78.626 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.639 -19.262 77.076 1.00 0.00 O ATOM 0 H ASP A 27 4.074 -19.488 80.280 1.00 0.00 H new ATOM 0 HA ASP A 27 3.380 -18.092 77.738 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.443 -18.514 80.055 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.185 -17.424 78.708 1.00 0.00 H new ATOM 424 N VAL A 28 5.051 -17.013 79.733 1.00 0.00 N ATOM 425 CA VAL A 28 5.691 -15.941 80.554 1.00 0.00 C ATOM 426 C VAL A 28 6.160 -14.774 79.683 1.00 0.00 C ATOM 427 O VAL A 28 7.336 -14.550 79.476 1.00 0.00 O ATOM 428 CB VAL A 28 6.856 -16.559 81.312 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.287 -17.572 82.290 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.805 -17.299 80.357 1.00 0.00 C ATOM 0 H VAL A 28 5.704 -17.658 79.287 1.00 0.00 H new ATOM 0 HA VAL A 28 4.963 -15.533 81.255 1.00 0.00 H new ATOM 0 HB VAL A 28 7.412 -15.770 81.818 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.100 -18.034 82.850 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.610 -17.070 82.981 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.742 -18.341 81.742 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.629 -17.731 80.925 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.261 -18.093 79.846 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.200 -16.598 79.621 1.00 0.00 H new ATOM 440 N ASN A 29 5.230 -14.023 79.184 1.00 0.00 N ATOM 441 CA ASN A 29 5.568 -12.863 78.331 1.00 0.00 C ATOM 442 C ASN A 29 4.270 -12.145 77.968 1.00 0.00 C ATOM 443 O ASN A 29 4.112 -11.632 76.876 1.00 0.00 O ATOM 444 CB ASN A 29 6.246 -13.365 77.060 1.00 0.00 C ATOM 445 CG ASN A 29 5.519 -14.613 76.559 1.00 0.00 C ATOM 446 OD1 ASN A 29 5.702 -15.751 77.167 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 4.776 -14.552 75.599 1.00 0.00 N flip ATOM 0 H ASN A 29 4.231 -14.167 79.334 1.00 0.00 H new ATOM 0 HA ASN A 29 6.239 -12.182 78.854 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.230 -12.589 76.295 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.293 -13.595 77.259 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.631 -13.662 75.122 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.297 -15.391 75.271 1.00 0.00 H new ATOM 454 N ARG A 30 3.336 -12.120 78.882 1.00 0.00 N ATOM 455 CA ARG A 30 2.020 -11.454 78.623 1.00 0.00 C ATOM 456 C ARG A 30 1.931 -10.164 79.431 1.00 0.00 C ATOM 457 O ARG A 30 1.770 -10.188 80.634 1.00 0.00 O ATOM 458 CB ARG A 30 0.882 -12.395 79.041 1.00 0.00 C ATOM 459 CG ARG A 30 0.990 -13.721 78.270 1.00 0.00 C ATOM 460 CD ARG A 30 -0.372 -14.427 78.248 1.00 0.00 C ATOM 461 NE ARG A 30 -0.260 -15.666 77.418 1.00 0.00 N ATOM 462 CZ ARG A 30 -1.245 -16.525 77.369 1.00 0.00 C ATOM 463 NH1 ARG A 30 -2.372 -16.274 77.982 1.00 0.00 N ATOM 464 NH2 ARG A 30 -1.109 -17.631 76.688 1.00 0.00 N ATOM 0 H ARG A 30 3.428 -12.537 79.808 1.00 0.00 H new ATOM 0 HA ARG A 30 1.934 -11.223 77.561 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.929 -12.583 80.114 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.081 -11.926 78.842 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.328 -13.532 77.251 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.735 -14.364 78.739 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.683 -14.679 79.262 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.134 -13.765 77.836 1.00 0.00 H new ATOM 0 HE ARG A 30 0.592 -15.843 76.886 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.487 -15.404 78.502 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.136 -16.948 77.940 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.236 -17.823 76.196 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.875 -18.303 76.648 1.00 0.00 H new ATOM 478 N THR A 31 2.017 -9.033 78.790 1.00 0.00 N ATOM 479 CA THR A 31 1.920 -7.764 79.552 1.00 0.00 C ATOM 480 C THR A 31 0.600 -7.753 80.301 1.00 0.00 C ATOM 481 O THR A 31 -0.451 -7.609 79.710 1.00 0.00 O ATOM 482 CB THR A 31 1.953 -6.566 78.595 1.00 0.00 C ATOM 483 OG1 THR A 31 0.640 -6.289 78.132 1.00 0.00 O ATOM 484 CG2 THR A 31 2.841 -6.876 77.398 1.00 0.00 C ATOM 0 H THR A 31 2.149 -8.935 77.783 1.00 0.00 H new ATOM 0 HA THR A 31 2.760 -7.692 80.243 1.00 0.00 H new ATOM 0 HB THR A 31 2.350 -5.703 79.129 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.085 -7.092 78.222 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.857 -6.019 76.725 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.854 -7.087 77.741 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.449 -7.745 76.869 1.00 0.00 H new ATOM 492 N LEU A 32 0.620 -7.898 81.593 1.00 0.00 N ATOM 493 CA LEU A 32 -0.681 -7.875 82.306 1.00 0.00 C ATOM 494 C LEU A 32 -1.284 -6.481 82.124 1.00 0.00 C ATOM 495 O LEU A 32 -2.485 -6.313 82.044 1.00 0.00 O ATOM 496 CB LEU A 32 -0.565 -8.278 83.807 1.00 0.00 C ATOM 497 CG LEU A 32 0.567 -7.570 84.600 1.00 0.00 C ATOM 498 CD1 LEU A 32 1.965 -7.921 84.053 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.361 -6.042 84.636 1.00 0.00 C ATOM 0 H LEU A 32 1.451 -8.027 82.170 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.340 -8.629 81.876 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.516 -8.067 84.297 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.408 -9.355 83.866 1.00 0.00 H new ATOM 0 HG LEU A 32 0.513 -7.943 85.623 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.725 -7.403 84.638 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.124 -8.997 84.123 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.036 -7.611 83.010 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.171 -5.579 85.199 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.357 -5.651 83.618 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.591 -5.814 85.116 1.00 0.00 H new ATOM 511 N GLU A 33 -0.448 -5.481 82.023 1.00 0.00 N ATOM 512 CA GLU A 33 -0.943 -4.092 81.807 1.00 0.00 C ATOM 513 C GLU A 33 -1.183 -3.866 80.307 1.00 0.00 C ATOM 514 O GLU A 33 -2.309 -3.774 79.857 1.00 0.00 O ATOM 515 CB GLU A 33 0.092 -3.093 82.336 1.00 0.00 C ATOM 516 CG GLU A 33 -0.524 -1.694 82.379 1.00 0.00 C ATOM 517 CD GLU A 33 -1.559 -1.625 83.505 1.00 0.00 C ATOM 518 OE1 GLU A 33 -1.154 -1.560 84.653 1.00 0.00 O ATOM 519 OE2 GLU A 33 -2.740 -1.634 83.198 1.00 0.00 O ATOM 0 H GLU A 33 0.566 -5.570 82.082 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.881 -3.945 82.343 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.421 -3.388 83.332 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.974 -3.094 81.696 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.254 -0.948 82.540 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.995 -1.463 81.423 1.00 0.00 H new ATOM 526 N GLY A 34 -0.130 -3.780 79.527 1.00 0.00 N ATOM 527 CA GLY A 34 -0.305 -3.566 78.059 1.00 0.00 C ATOM 528 C GLY A 34 1.053 -3.408 77.379 1.00 0.00 C ATOM 529 O GLY A 34 1.255 -3.847 76.264 1.00 0.00 O ATOM 0 H GLY A 34 0.837 -3.849 79.844 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.841 -4.409 77.623 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.912 -2.678 77.884 1.00 0.00 H new ATOM 533 N GLY A 35 1.980 -2.781 78.043 1.00 0.00 N ATOM 534 CA GLY A 35 3.345 -2.578 77.458 1.00 0.00 C ATOM 535 C GLY A 35 4.389 -2.975 78.499 1.00 0.00 C ATOM 536 O GLY A 35 5.523 -2.541 78.460 1.00 0.00 O ATOM 0 H GLY A 35 1.855 -2.393 78.978 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.463 -3.179 76.557 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.480 -1.536 77.166 1.00 0.00 H new ATOM 540 N ARG A 36 3.996 -3.793 79.441 1.00 0.00 N ATOM 541 CA ARG A 36 4.924 -4.241 80.525 1.00 0.00 C ATOM 542 C ARG A 36 5.031 -5.771 80.474 1.00 0.00 C ATOM 543 O ARG A 36 4.531 -6.394 79.567 1.00 0.00 O ATOM 544 CB ARG A 36 4.353 -3.803 81.885 1.00 0.00 C ATOM 545 CG ARG A 36 3.797 -2.365 81.800 1.00 0.00 C ATOM 546 CD ARG A 36 4.946 -1.353 81.783 1.00 0.00 C ATOM 547 NE ARG A 36 4.377 0.025 81.778 1.00 0.00 N ATOM 548 CZ ARG A 36 5.118 1.050 82.097 1.00 0.00 C ATOM 549 NH1 ARG A 36 6.357 0.877 82.468 1.00 0.00 N ATOM 550 NH2 ARG A 36 4.606 2.251 82.053 1.00 0.00 N ATOM 0 H ARG A 36 3.053 -4.177 79.506 1.00 0.00 H new ATOM 0 HA ARG A 36 5.911 -3.799 80.390 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.562 -4.488 82.191 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.131 -3.854 82.646 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.192 -2.254 80.900 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.143 -2.169 82.650 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.585 -1.494 82.655 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.570 -1.506 80.903 1.00 0.00 H new ATOM 0 HE ARG A 36 3.400 0.168 81.523 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.750 -0.063 82.510 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.932 1.682 82.716 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.634 2.381 81.771 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.178 3.059 82.301 1.00 0.00 H new ATOM 564 N LYS A 37 5.677 -6.385 81.435 1.00 0.00 N ATOM 565 CA LYS A 37 5.808 -7.888 81.438 1.00 0.00 C ATOM 566 C LYS A 37 5.555 -8.380 82.877 1.00 0.00 C ATOM 567 O LYS A 37 5.569 -7.586 83.793 1.00 0.00 O ATOM 568 CB LYS A 37 7.221 -8.310 80.939 1.00 0.00 C ATOM 569 CG LYS A 37 8.151 -7.098 80.861 1.00 0.00 C ATOM 570 CD LYS A 37 8.455 -6.615 82.279 1.00 0.00 C ATOM 571 CE LYS A 37 9.025 -5.186 82.233 1.00 0.00 C ATOM 572 NZ LYS A 37 9.691 -4.940 80.921 1.00 0.00 N ATOM 0 H LYS A 37 6.123 -5.914 82.223 1.00 0.00 H new ATOM 0 HA LYS A 37 5.081 -8.338 80.762 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.643 -9.055 81.613 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.141 -8.777 79.957 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.075 -7.364 80.347 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.683 -6.301 80.283 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.547 -6.635 82.882 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.169 -7.286 82.756 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.224 -4.462 82.384 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.739 -5.045 83.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.284 -4.088 80.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.285 -5.757 80.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.969 -4.803 80.185 1.00 0.00 H new ATOM 586 N PRO A 38 5.312 -9.665 83.054 1.00 0.00 N ATOM 587 CA PRO A 38 5.039 -10.202 84.404 1.00 0.00 C ATOM 588 C PRO A 38 6.315 -10.293 85.261 1.00 0.00 C ATOM 589 O PRO A 38 6.374 -11.081 86.184 1.00 0.00 O ATOM 590 CB PRO A 38 4.498 -11.628 84.124 1.00 0.00 C ATOM 591 CG PRO A 38 4.877 -11.985 82.665 1.00 0.00 C ATOM 592 CD PRO A 38 5.254 -10.664 81.962 1.00 0.00 C ATOM 0 HA PRO A 38 4.351 -9.565 84.960 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.930 -12.347 84.820 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.417 -11.663 84.260 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.712 -12.685 82.644 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.043 -12.468 82.157 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.212 -10.747 81.449 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.513 -10.389 81.211 1.00 0.00 H new ATOM 600 N LEU A 39 7.330 -9.493 84.988 1.00 0.00 N ATOM 601 CA LEU A 39 8.581 -9.546 85.809 1.00 0.00 C ATOM 602 C LEU A 39 8.770 -8.227 86.570 1.00 0.00 C ATOM 603 O LEU A 39 9.360 -8.197 87.629 1.00 0.00 O ATOM 604 CB LEU A 39 9.759 -9.758 84.857 1.00 0.00 C ATOM 605 CG LEU A 39 11.076 -10.210 85.561 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.861 -10.968 86.880 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.857 -11.117 84.600 1.00 0.00 C ATOM 0 H LEU A 39 7.340 -8.809 84.232 1.00 0.00 H new ATOM 0 HA LEU A 39 8.519 -10.358 86.534 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.482 -10.506 84.115 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.948 -8.829 84.318 1.00 0.00 H new ATOM 0 HG LEU A 39 11.620 -9.300 85.812 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.827 -11.245 87.302 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.327 -10.329 87.584 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.276 -11.868 86.691 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.782 -11.442 85.077 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.252 -11.988 84.350 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.093 -10.565 83.690 1.00 0.00 H new ATOM 619 N HIS A 40 8.281 -7.135 86.040 1.00 0.00 N ATOM 620 CA HIS A 40 8.451 -5.829 86.743 1.00 0.00 C ATOM 621 C HIS A 40 7.604 -5.845 88.008 1.00 0.00 C ATOM 622 O HIS A 40 8.000 -5.351 89.044 1.00 0.00 O ATOM 623 CB HIS A 40 7.978 -4.691 85.833 1.00 0.00 C ATOM 624 CG HIS A 40 8.102 -3.373 86.549 1.00 0.00 C ATOM 625 ND1 HIS A 40 7.603 -3.173 87.825 1.00 0.00 N ATOM 626 CD2 HIS A 40 8.657 -2.174 86.172 1.00 0.00 C ATOM 627 CE1 HIS A 40 7.864 -1.898 88.168 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.505 -1.245 87.198 1.00 0.00 N ATOM 0 H HIS A 40 7.774 -7.091 85.156 1.00 0.00 H new ATOM 0 HA HIS A 40 9.501 -5.676 86.994 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.572 -4.675 84.919 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.942 -4.857 85.537 1.00 0.00 H new ATOM 0 HD1 HIS A 40 7.125 -3.866 88.400 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.138 -1.981 85.224 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.588 -1.457 89.114 1.00 0.00 H new ATOM 636 N TYR A 41 6.449 -6.433 87.934 1.00 0.00 N ATOM 637 CA TYR A 41 5.571 -6.516 89.127 1.00 0.00 C ATOM 638 C TYR A 41 6.161 -7.550 90.077 1.00 0.00 C ATOM 639 O TYR A 41 6.170 -7.377 91.279 1.00 0.00 O ATOM 640 CB TYR A 41 4.178 -6.934 88.686 1.00 0.00 C ATOM 641 CG TYR A 41 3.767 -6.063 87.537 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.225 -6.360 86.251 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.935 -4.960 87.752 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.851 -5.552 85.177 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.561 -4.152 86.678 1.00 0.00 C ATOM 646 CZ TYR A 41 3.018 -4.446 85.392 1.00 0.00 C ATOM 647 OH TYR A 41 2.650 -3.646 84.336 1.00 0.00 O ATOM 0 H TYR A 41 6.072 -6.864 87.090 1.00 0.00 H new ATOM 0 HA TYR A 41 5.504 -5.552 89.632 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.173 -7.983 88.389 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.472 -6.833 89.511 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.867 -7.213 86.089 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.583 -4.734 88.748 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.203 -5.779 84.181 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.918 -3.300 86.841 1.00 0.00 H new ATOM 0 HH TYR A 41 2.070 -2.925 84.659 1.00 0.00 H new ATOM 657 N ALA A 42 6.687 -8.613 89.536 1.00 0.00 N ATOM 658 CA ALA A 42 7.317 -9.644 90.393 1.00 0.00 C ATOM 659 C ALA A 42 8.579 -9.017 90.979 1.00 0.00 C ATOM 660 O ALA A 42 8.725 -8.841 92.164 1.00 0.00 O ATOM 661 CB ALA A 42 7.678 -10.862 89.528 1.00 0.00 C ATOM 0 H ALA A 42 6.706 -8.809 88.535 1.00 0.00 H new ATOM 0 HA ALA A 42 6.649 -9.974 91.188 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.143 -11.626 90.151 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.774 -11.266 89.073 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.374 -10.559 88.746 1.00 0.00 H new ATOM 667 N ALA A 43 9.487 -8.667 90.133 1.00 0.00 N ATOM 668 CA ALA A 43 10.743 -8.029 90.587 1.00 0.00 C ATOM 669 C ALA A 43 10.421 -6.899 91.578 1.00 0.00 C ATOM 670 O ALA A 43 10.826 -6.923 92.725 1.00 0.00 O ATOM 671 CB ALA A 43 11.423 -7.431 89.353 1.00 0.00 C ATOM 0 H ALA A 43 9.414 -8.797 89.124 1.00 0.00 H new ATOM 0 HA ALA A 43 11.387 -8.758 91.078 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.356 -6.950 89.649 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.635 -8.223 88.635 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.764 -6.693 88.896 1.00 0.00 H new ATOM 677 N ASP A 44 9.711 -5.907 91.124 1.00 0.00 N ATOM 678 CA ASP A 44 9.366 -4.739 91.988 1.00 0.00 C ATOM 679 C ASP A 44 8.587 -5.142 93.249 1.00 0.00 C ATOM 680 O ASP A 44 8.697 -4.496 94.269 1.00 0.00 O ATOM 681 CB ASP A 44 8.515 -3.760 91.179 1.00 0.00 C ATOM 682 CG ASP A 44 8.391 -2.445 91.945 1.00 0.00 C ATOM 683 OD1 ASP A 44 7.610 -2.401 92.881 1.00 0.00 O ATOM 684 OD2 ASP A 44 9.078 -1.505 91.584 1.00 0.00 O ATOM 0 H ASP A 44 9.347 -5.853 90.173 1.00 0.00 H new ATOM 0 HA ASP A 44 10.303 -4.284 92.311 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.970 -3.585 90.204 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.527 -4.183 90.998 1.00 0.00 H new ATOM 689 N CYS A 45 7.790 -6.171 93.200 1.00 0.00 N ATOM 690 CA CYS A 45 7.001 -6.554 94.417 1.00 0.00 C ATOM 691 C CYS A 45 6.544 -8.002 94.285 1.00 0.00 C ATOM 692 O CYS A 45 5.364 -8.294 94.283 1.00 0.00 O ATOM 693 CB CYS A 45 5.757 -5.664 94.511 1.00 0.00 C ATOM 694 SG CYS A 45 6.214 -4.012 95.092 1.00 0.00 S ATOM 0 H CYS A 45 7.647 -6.762 92.381 1.00 0.00 H new ATOM 0 HA CYS A 45 7.622 -6.433 95.304 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.276 -5.594 93.535 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.032 -6.110 95.192 1.00 0.00 H new ATOM 0 HG CYS A 45 7.436 -3.749 94.734 1.00 0.00 H new ATOM 700 N GLY A 46 7.474 -8.903 94.147 1.00 0.00 N ATOM 701 CA GLY A 46 7.122 -10.350 93.979 1.00 0.00 C ATOM 702 C GLY A 46 7.573 -11.170 95.181 1.00 0.00 C ATOM 703 O GLY A 46 7.830 -12.351 95.060 1.00 0.00 O ATOM 0 H GLY A 46 8.474 -8.703 94.143 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.045 -10.452 93.849 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.590 -10.738 93.074 1.00 0.00 H new ATOM 707 N GLN A 47 7.711 -10.575 96.333 1.00 0.00 N ATOM 708 CA GLN A 47 8.187 -11.366 97.506 1.00 0.00 C ATOM 709 C GLN A 47 9.466 -12.101 97.090 1.00 0.00 C ATOM 710 O GLN A 47 9.936 -13.004 97.751 1.00 0.00 O ATOM 711 CB GLN A 47 7.109 -12.365 97.926 1.00 0.00 C ATOM 712 CG GLN A 47 6.014 -11.646 98.719 1.00 0.00 C ATOM 713 CD GLN A 47 5.578 -10.368 97.989 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.126 -10.448 96.767 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.649 -9.288 98.540 1.00 0.00 N flip ATOM 0 H GLN A 47 7.518 -9.590 96.514 1.00 0.00 H new ATOM 0 HA GLN A 47 8.392 -10.712 98.354 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.679 -12.841 97.045 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.550 -13.156 98.533 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.158 -12.307 98.851 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.381 -11.397 99.715 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.002 -9.225 99.495 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.356 -8.444 98.048 1.00 0.00 H new ATOM 724 N LEU A 48 10.018 -11.672 95.988 1.00 0.00 N ATOM 725 CA LEU A 48 11.278 -12.242 95.440 1.00 0.00 C ATOM 726 C LEU A 48 11.148 -13.731 95.117 1.00 0.00 C ATOM 727 O LEU A 48 12.101 -14.380 94.739 1.00 0.00 O ATOM 728 CB LEU A 48 12.409 -11.984 96.422 1.00 0.00 C ATOM 729 CG LEU A 48 12.904 -10.489 96.386 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.092 -9.548 95.451 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.858 -9.911 97.802 1.00 0.00 C ATOM 0 H LEU A 48 9.628 -10.917 95.423 1.00 0.00 H new ATOM 0 HA LEU A 48 11.499 -11.747 94.495 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.075 -12.229 97.430 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.244 -12.646 96.193 1.00 0.00 H new ATOM 0 HG LEU A 48 13.915 -10.528 95.981 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.510 -8.542 95.495 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.145 -9.918 94.427 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.051 -9.523 95.774 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.200 -8.876 97.784 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.835 -9.949 98.177 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.506 -10.496 98.455 1.00 0.00 H new ATOM 743 N GLU A 49 9.974 -14.254 95.200 1.00 0.00 N ATOM 744 CA GLU A 49 9.735 -15.679 94.837 1.00 0.00 C ATOM 745 C GLU A 49 9.089 -15.700 93.452 1.00 0.00 C ATOM 746 O GLU A 49 9.340 -16.563 92.634 1.00 0.00 O ATOM 747 CB GLU A 49 8.791 -16.319 95.857 1.00 0.00 C ATOM 748 CG GLU A 49 7.775 -15.279 96.324 1.00 0.00 C ATOM 749 CD GLU A 49 6.768 -15.931 97.274 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.075 -16.035 98.450 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.706 -16.313 96.809 1.00 0.00 O ATOM 0 H GLU A 49 9.143 -13.750 95.511 1.00 0.00 H new ATOM 0 HA GLU A 49 10.671 -16.237 94.833 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.278 -17.171 95.411 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.358 -16.698 96.707 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.286 -14.458 96.828 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.256 -14.853 95.466 1.00 0.00 H new ATOM 758 N ILE A 50 8.238 -14.747 93.207 1.00 0.00 N ATOM 759 CA ILE A 50 7.532 -14.668 91.908 1.00 0.00 C ATOM 760 C ILE A 50 8.506 -14.384 90.768 1.00 0.00 C ATOM 761 O ILE A 50 8.330 -14.876 89.683 1.00 0.00 O ATOM 762 CB ILE A 50 6.480 -13.553 91.993 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.577 -13.781 93.269 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.679 -13.518 90.691 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.043 -13.696 93.023 1.00 0.00 C ATOM 0 H ILE A 50 8.000 -14.007 93.867 1.00 0.00 H new ATOM 0 HA ILE A 50 7.053 -15.625 91.701 1.00 0.00 H new ATOM 0 HB ILE A 50 6.952 -12.577 92.107 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.807 -14.761 93.686 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.849 -13.042 94.023 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.930 -12.728 90.746 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.351 -13.324 89.855 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.184 -14.478 90.543 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.514 -13.867 93.961 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.790 -12.708 92.639 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.748 -14.454 92.297 1.00 0.00 H new ATOM 777 N LEU A 51 9.511 -13.592 90.958 1.00 0.00 N ATOM 778 CA LEU A 51 10.401 -13.335 89.793 1.00 0.00 C ATOM 779 C LEU A 51 10.997 -14.667 89.313 1.00 0.00 C ATOM 780 O LEU A 51 10.878 -15.011 88.167 1.00 0.00 O ATOM 781 CB LEU A 51 11.519 -12.290 90.052 1.00 0.00 C ATOM 782 CG LEU A 51 11.728 -11.964 91.527 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.445 -11.393 92.169 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.213 -13.211 92.264 1.00 0.00 C ATOM 0 H LEU A 51 9.755 -13.124 91.831 1.00 0.00 H new ATOM 0 HA LEU A 51 9.779 -12.889 89.017 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.455 -12.663 89.636 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.276 -11.372 89.518 1.00 0.00 H new ATOM 0 HG LEU A 51 12.491 -11.190 91.608 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.631 -11.172 93.220 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.156 -10.478 91.652 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.641 -12.125 92.089 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.362 -12.976 93.318 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.469 -14.002 92.170 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.155 -13.546 91.831 1.00 0.00 H new ATOM 796 N GLU A 52 11.638 -15.425 90.153 1.00 0.00 N ATOM 797 CA GLU A 52 12.206 -16.714 89.647 1.00 0.00 C ATOM 798 C GLU A 52 11.130 -17.514 88.902 1.00 0.00 C ATOM 799 O GLU A 52 11.411 -18.218 87.957 1.00 0.00 O ATOM 800 CB GLU A 52 12.701 -17.596 90.799 1.00 0.00 C ATOM 801 CG GLU A 52 13.596 -16.810 91.762 1.00 0.00 C ATOM 802 CD GLU A 52 12.762 -16.296 92.931 1.00 0.00 C ATOM 803 OE1 GLU A 52 11.605 -16.002 92.709 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.287 -16.239 94.029 1.00 0.00 O ATOM 0 H GLU A 52 11.794 -15.223 91.140 1.00 0.00 H new ATOM 0 HA GLU A 52 13.034 -16.456 88.987 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.847 -18.000 91.342 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.254 -18.445 90.397 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.401 -17.447 92.129 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.063 -15.975 91.240 1.00 0.00 H new ATOM 811 N PHE A 53 9.913 -17.452 89.357 1.00 0.00 N ATOM 812 CA PHE A 53 8.826 -18.255 88.731 1.00 0.00 C ATOM 813 C PHE A 53 8.681 -17.965 87.231 1.00 0.00 C ATOM 814 O PHE A 53 9.171 -18.704 86.406 1.00 0.00 O ATOM 815 CB PHE A 53 7.512 -17.967 89.469 1.00 0.00 C ATOM 816 CG PHE A 53 6.336 -18.449 88.668 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.025 -19.806 88.640 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.554 -17.533 87.958 1.00 0.00 C ATOM 819 CE1 PHE A 53 4.923 -20.245 87.908 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.458 -17.980 87.222 1.00 0.00 C ATOM 821 CZ PHE A 53 4.142 -19.328 87.199 1.00 0.00 C ATOM 0 H PHE A 53 9.620 -16.873 90.144 1.00 0.00 H new ATOM 0 HA PHE A 53 9.081 -19.311 88.819 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.521 -18.457 90.442 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.419 -16.897 89.652 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.634 -20.514 89.182 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.799 -16.481 87.980 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.672 -21.295 87.889 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.855 -17.275 86.669 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.290 -19.672 86.632 1.00 0.00 H new ATOM 831 N LEU A 54 7.968 -16.943 86.867 1.00 0.00 N ATOM 832 CA LEU A 54 7.762 -16.680 85.414 1.00 0.00 C ATOM 833 C LEU A 54 9.103 -16.541 84.669 1.00 0.00 C ATOM 834 O LEU A 54 9.158 -16.620 83.459 1.00 0.00 O ATOM 835 CB LEU A 54 6.861 -15.442 85.207 1.00 0.00 C ATOM 836 CG LEU A 54 7.554 -14.119 85.578 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.222 -14.251 86.920 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.583 -13.684 84.514 1.00 0.00 C ATOM 0 H LEU A 54 7.521 -16.282 87.502 1.00 0.00 H new ATOM 0 HA LEU A 54 7.250 -17.541 84.984 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.546 -15.400 84.164 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.958 -15.553 85.808 1.00 0.00 H new ATOM 0 HG LEU A 54 6.787 -13.346 85.623 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.711 -13.311 87.177 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.475 -14.490 87.677 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.965 -15.047 86.880 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.047 -12.746 84.818 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.350 -14.452 84.414 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.080 -13.547 83.557 1.00 0.00 H new ATOM 850 N LEU A 55 10.174 -16.360 85.382 1.00 0.00 N ATOM 851 CA LEU A 55 11.522 -16.236 84.737 1.00 0.00 C ATOM 852 C LEU A 55 12.134 -17.638 84.568 1.00 0.00 C ATOM 853 O LEU A 55 12.827 -17.919 83.611 1.00 0.00 O ATOM 854 CB LEU A 55 12.395 -15.368 85.661 1.00 0.00 C ATOM 855 CG LEU A 55 13.512 -14.673 84.873 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.341 -13.816 85.836 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.424 -15.719 84.207 1.00 0.00 C ATOM 0 H LEU A 55 10.181 -16.291 86.400 1.00 0.00 H new ATOM 0 HA LEU A 55 11.452 -15.776 83.751 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.775 -14.620 86.155 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.830 -15.989 86.444 1.00 0.00 H new ATOM 0 HG LEU A 55 13.070 -14.047 84.098 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.138 -13.317 85.285 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.699 -13.068 86.302 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.776 -14.452 86.607 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.213 -15.213 83.651 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.870 -16.353 84.973 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.836 -16.333 83.525 1.00 0.00 H new ATOM 869 N LEU A 56 11.876 -18.519 85.491 1.00 0.00 N ATOM 870 CA LEU A 56 12.431 -19.893 85.402 1.00 0.00 C ATOM 871 C LEU A 56 11.931 -20.587 84.127 1.00 0.00 C ATOM 872 O LEU A 56 12.656 -21.322 83.486 1.00 0.00 O ATOM 873 CB LEU A 56 11.998 -20.657 86.653 1.00 0.00 C ATOM 874 CG LEU A 56 12.436 -22.114 86.604 1.00 0.00 C ATOM 875 CD1 LEU A 56 13.932 -22.205 86.279 1.00 0.00 C ATOM 876 CD2 LEU A 56 12.174 -22.716 87.983 1.00 0.00 C ATOM 0 H LEU A 56 11.297 -18.342 86.312 1.00 0.00 H new ATOM 0 HA LEU A 56 13.519 -19.864 85.349 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.422 -20.179 87.536 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.914 -20.606 86.753 1.00 0.00 H new ATOM 0 HG LEU A 56 11.885 -22.652 85.832 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.234 -23.252 86.247 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.123 -21.742 85.311 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.504 -21.686 87.048 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.477 -23.763 87.986 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.747 -22.170 88.733 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.111 -22.645 88.215 1.00 0.00 H new ATOM 888 N LYS A 57 10.711 -20.342 83.741 1.00 0.00 N ATOM 889 CA LYS A 57 10.187 -20.966 82.491 1.00 0.00 C ATOM 890 C LYS A 57 10.862 -20.238 81.323 1.00 0.00 C ATOM 891 O LYS A 57 12.014 -20.481 81.023 1.00 0.00 O ATOM 892 CB LYS A 57 8.642 -20.815 82.422 1.00 0.00 C ATOM 893 CG LYS A 57 7.916 -22.118 82.861 1.00 0.00 C ATOM 894 CD LYS A 57 7.689 -22.159 84.389 1.00 0.00 C ATOM 895 CE LYS A 57 8.930 -22.706 85.107 1.00 0.00 C ATOM 896 NZ LYS A 57 8.571 -23.049 86.509 1.00 0.00 N ATOM 0 H LYS A 57 10.054 -19.738 84.235 1.00 0.00 H new ATOM 0 HA LYS A 57 10.406 -22.033 82.457 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.328 -19.990 83.062 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.347 -20.559 81.404 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.957 -22.190 82.349 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.506 -22.983 82.557 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.463 -21.158 84.755 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.826 -22.784 84.617 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.306 -23.588 84.589 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.729 -21.965 85.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.409 -23.420 87.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.231 -22.197 86.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.822 -23.770 86.509 1.00 0.00 H new ATOM 910 N GLY A 58 10.191 -19.311 80.696 1.00 0.00 N ATOM 911 CA GLY A 58 10.850 -18.552 79.612 1.00 0.00 C ATOM 912 C GLY A 58 11.797 -17.593 80.308 1.00 0.00 C ATOM 913 O GLY A 58 12.463 -17.976 81.245 1.00 0.00 O ATOM 0 H GLY A 58 9.224 -19.052 80.890 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.390 -19.218 78.939 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.119 -18.013 79.009 1.00 0.00 H new ATOM 917 N ALA A 59 11.833 -16.353 79.915 1.00 0.00 N ATOM 918 CA ALA A 59 12.722 -15.394 80.621 1.00 0.00 C ATOM 919 C ALA A 59 12.603 -14.003 80.028 1.00 0.00 C ATOM 920 O ALA A 59 13.358 -13.605 79.162 1.00 0.00 O ATOM 921 CB ALA A 59 14.168 -15.839 80.543 1.00 0.00 C ATOM 0 H ALA A 59 11.291 -15.965 79.143 1.00 0.00 H new ATOM 0 HA ALA A 59 12.406 -15.369 81.664 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.799 -15.121 81.067 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.272 -16.820 81.007 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.475 -15.897 79.499 1.00 0.00 H new ATOM 927 N ASP A 60 11.685 -13.253 80.549 1.00 0.00 N ATOM 928 CA ASP A 60 11.503 -11.847 80.106 1.00 0.00 C ATOM 929 C ASP A 60 12.653 -11.052 80.713 1.00 0.00 C ATOM 930 O ASP A 60 12.734 -9.844 80.620 1.00 0.00 O ATOM 931 CB ASP A 60 10.164 -11.315 80.625 1.00 0.00 C ATOM 932 CG ASP A 60 10.072 -9.812 80.364 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.497 -9.056 81.221 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.578 -9.443 79.311 1.00 0.00 O ATOM 0 H ASP A 60 11.039 -13.558 81.277 1.00 0.00 H new ATOM 0 HA ASP A 60 11.500 -11.766 79.019 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.341 -11.831 80.131 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.071 -11.515 81.692 1.00 0.00 H new ATOM 939 N ILE A 61 13.534 -11.766 81.349 1.00 0.00 N ATOM 940 CA ILE A 61 14.715 -11.166 82.015 1.00 0.00 C ATOM 941 C ILE A 61 15.497 -10.277 81.054 1.00 0.00 C ATOM 942 O ILE A 61 16.204 -9.375 81.458 1.00 0.00 O ATOM 943 CB ILE A 61 15.619 -12.324 82.445 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.680 -11.817 83.418 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.309 -12.934 81.211 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.775 -12.883 83.614 1.00 0.00 C ATOM 0 H ILE A 61 13.479 -12.781 81.436 1.00 0.00 H new ATOM 0 HA ILE A 61 14.391 -10.556 82.858 1.00 0.00 H new ATOM 0 HB ILE A 61 15.011 -13.085 82.934 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.122 -10.896 83.038 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.220 -11.577 84.377 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.951 -13.758 81.523 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.554 -13.305 80.518 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.911 -12.172 80.717 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.526 -12.509 84.310 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.329 -13.793 84.015 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.246 -13.102 82.655 1.00 0.00 H new ATOM 958 N ASN A 62 15.414 -10.574 79.791 1.00 0.00 N ATOM 959 CA ASN A 62 16.193 -9.810 78.773 1.00 0.00 C ATOM 960 C ASN A 62 15.290 -9.380 77.621 1.00 0.00 C ATOM 961 O ASN A 62 15.337 -8.245 77.194 1.00 0.00 O ATOM 962 CB ASN A 62 17.332 -10.704 78.254 1.00 0.00 C ATOM 963 CG ASN A 62 16.821 -12.118 77.939 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.568 -12.415 78.125 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.583 -12.968 77.517 1.00 0.00 N flip ATOM 0 H ASN A 62 14.833 -11.322 79.412 1.00 0.00 H new ATOM 0 HA ASN A 62 16.607 -8.910 79.228 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.766 -10.262 77.357 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.126 -10.758 78.999 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.567 -12.743 77.369 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.238 -13.906 77.312 1.00 0.00 H new ATOM 972 N ALA A 63 14.460 -10.278 77.145 1.00 0.00 N ATOM 973 CA ALA A 63 13.488 -9.967 76.027 1.00 0.00 C ATOM 974 C ALA A 63 13.294 -8.446 75.801 1.00 0.00 C ATOM 975 O ALA A 63 13.612 -7.972 74.727 1.00 0.00 O ATOM 976 CB ALA A 63 12.139 -10.679 76.262 1.00 0.00 C ATOM 0 H ALA A 63 14.409 -11.237 77.487 1.00 0.00 H new ATOM 0 HA ALA A 63 13.928 -10.355 75.108 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.455 -10.442 75.447 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.298 -11.757 76.300 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.709 -10.342 77.205 1.00 0.00 H new ATOM 982 N PRO A 64 12.786 -7.713 76.803 1.00 0.00 N ATOM 983 CA PRO A 64 12.553 -6.263 76.728 1.00 0.00 C ATOM 984 C PRO A 64 13.149 -5.595 75.490 1.00 0.00 C ATOM 985 O PRO A 64 14.314 -5.751 75.176 1.00 0.00 O ATOM 986 CB PRO A 64 13.095 -5.773 78.069 1.00 0.00 C ATOM 987 CG PRO A 64 12.949 -6.998 79.037 1.00 0.00 C ATOM 988 CD PRO A 64 12.473 -8.194 78.161 1.00 0.00 C ATOM 0 HA PRO A 64 11.505 -5.998 76.590 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.135 -5.459 77.983 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.532 -4.913 78.432 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.898 -7.225 79.522 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.230 -6.785 79.828 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.004 -9.115 78.402 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.410 -8.397 78.288 1.00 0.00 H new ATOM 996 N ASP A 65 12.341 -4.846 74.790 1.00 0.00 N ATOM 997 CA ASP A 65 12.811 -4.140 73.565 1.00 0.00 C ATOM 998 C ASP A 65 12.252 -2.717 73.581 1.00 0.00 C ATOM 999 O ASP A 65 12.972 -1.754 73.410 1.00 0.00 O ATOM 1000 CB ASP A 65 12.302 -4.887 72.327 1.00 0.00 C ATOM 1001 CG ASP A 65 13.177 -6.119 72.079 1.00 0.00 C ATOM 1002 OD1 ASP A 65 14.199 -5.972 71.428 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.814 -7.186 72.546 1.00 0.00 O ATOM 0 H ASP A 65 11.359 -4.691 75.020 1.00 0.00 H new ATOM 0 HA ASP A 65 13.900 -4.107 73.538 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.264 -5.188 72.472 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.325 -4.230 71.457 1.00 0.00 H new ATOM 1008 N LYS A 66 10.972 -2.579 73.799 1.00 0.00 N ATOM 1009 CA LYS A 66 10.354 -1.236 73.843 1.00 0.00 C ATOM 1010 C LYS A 66 10.496 -0.670 75.258 1.00 0.00 C ATOM 1011 O LYS A 66 10.408 0.522 75.480 1.00 0.00 O ATOM 1012 CB LYS A 66 8.883 -1.383 73.469 1.00 0.00 C ATOM 1013 CG LYS A 66 8.317 -0.033 73.027 1.00 0.00 C ATOM 1014 CD LYS A 66 8.587 0.206 71.536 1.00 0.00 C ATOM 1015 CE LYS A 66 7.986 1.548 71.115 1.00 0.00 C ATOM 1016 NZ LYS A 66 8.468 2.617 72.034 1.00 0.00 N ATOM 0 H LYS A 66 10.326 -3.354 73.950 1.00 0.00 H new ATOM 0 HA LYS A 66 10.841 -0.555 73.146 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.775 -2.112 72.666 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.319 -1.761 74.321 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.244 -0.003 73.217 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.767 0.766 73.616 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.660 0.201 71.345 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.154 -0.600 70.944 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.270 1.780 70.089 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.898 1.495 71.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.370 3.543 71.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.903 2.605 72.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.468 2.450 72.266 1.00 0.00 H new ATOM 1030 N HIS A 67 10.746 -1.524 76.209 1.00 0.00 N ATOM 1031 CA HIS A 67 10.933 -1.072 77.609 1.00 0.00 C ATOM 1032 C HIS A 67 12.351 -0.531 77.739 1.00 0.00 C ATOM 1033 O HIS A 67 12.741 0.006 78.758 1.00 0.00 O ATOM 1034 CB HIS A 67 10.743 -2.278 78.531 1.00 0.00 C ATOM 1035 CG HIS A 67 9.621 -3.137 78.015 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.719 -4.519 77.934 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.370 -2.823 77.553 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.556 -4.978 77.438 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.697 -3.986 77.188 1.00 0.00 N ATOM 0 H HIS A 67 10.829 -2.531 76.070 1.00 0.00 H new ATOM 0 HA HIS A 67 10.217 -0.296 77.878 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.664 -2.858 78.582 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.521 -1.942 79.544 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.967 -1.824 77.483 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.343 -6.022 77.263 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.752 -4.064 76.811 1.00 0.00 H new ATOM 1047 N HIS A 68 13.121 -0.674 76.695 1.00 0.00 N ATOM 1048 CA HIS A 68 14.524 -0.186 76.712 1.00 0.00 C ATOM 1049 C HIS A 68 15.188 -0.571 78.034 1.00 0.00 C ATOM 1050 O HIS A 68 16.190 -0.004 78.423 1.00 0.00 O ATOM 1051 CB HIS A 68 14.530 1.337 76.553 1.00 0.00 C ATOM 1052 CG HIS A 68 14.211 1.688 75.124 1.00 0.00 C ATOM 1053 ND1 HIS A 68 13.087 1.199 74.475 1.00 0.00 N ATOM 1054 CD2 HIS A 68 14.868 2.464 74.201 1.00 0.00 C ATOM 1055 CE1 HIS A 68 13.103 1.681 73.218 1.00 0.00 C ATOM 1056 NE2 HIS A 68 14.167 2.458 72.999 1.00 0.00 N ATOM 0 H HIS A 68 12.831 -1.114 75.822 1.00 0.00 H new ATOM 0 HA HIS A 68 15.079 -0.640 75.891 1.00 0.00 H new ATOM 0 HB2 HIS A 68 13.797 1.787 77.223 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.504 1.739 76.830 1.00 0.00 H new ATOM 0 HD2 HIS A 68 15.789 2.998 74.381 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.347 1.466 72.477 1.00 0.00 H new ATOM 0 HE2 HIS A 68 14.413 2.943 72.136 1.00 0.00 H new ATOM 1064 N ILE A 69 14.642 -1.536 78.731 1.00 0.00 N ATOM 1065 CA ILE A 69 15.256 -1.947 80.020 1.00 0.00 C ATOM 1066 C ILE A 69 14.847 -3.346 80.389 1.00 0.00 C ATOM 1067 O ILE A 69 13.845 -3.875 79.959 1.00 0.00 O ATOM 1068 CB ILE A 69 14.872 -0.931 81.138 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.161 -0.397 81.759 1.00 0.00 C ATOM 1070 CG2 ILE A 69 13.992 -1.548 82.275 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.943 -1.522 82.437 1.00 0.00 C ATOM 0 H ILE A 69 13.804 -2.051 78.462 1.00 0.00 H new ATOM 0 HA ILE A 69 16.340 -1.945 79.909 1.00 0.00 H new ATOM 0 HB ILE A 69 14.278 -0.147 80.669 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.777 0.067 80.988 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.925 0.378 82.488 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.765 -0.782 83.016 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.063 -1.928 81.850 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.534 -2.365 82.752 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.857 -1.119 82.872 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.333 -1.967 83.223 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.197 -2.284 81.700 1.00 0.00 H new ATOM 1083 N THR A 70 15.651 -3.921 81.215 1.00 0.00 N ATOM 1084 CA THR A 70 15.426 -5.281 81.707 1.00 0.00 C ATOM 1085 C THR A 70 15.105 -5.139 83.206 1.00 0.00 C ATOM 1086 O THR A 70 15.416 -4.135 83.800 1.00 0.00 O ATOM 1087 CB THR A 70 16.690 -6.093 81.505 1.00 0.00 C ATOM 1088 OG1 THR A 70 16.732 -7.089 82.494 1.00 0.00 O ATOM 1089 CG2 THR A 70 17.885 -5.127 81.593 1.00 0.00 C ATOM 0 H THR A 70 16.493 -3.479 81.584 1.00 0.00 H new ATOM 0 HA THR A 70 14.615 -5.786 81.182 1.00 0.00 H new ATOM 0 HB THR A 70 16.720 -6.586 80.533 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.864 -7.964 82.072 1.00 0.00 H new ATOM 0 HG21 THR A 70 18.813 -5.682 81.451 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.795 -4.366 80.818 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.894 -4.648 82.572 1.00 0.00 H new ATOM 1097 N PRO A 71 14.405 -6.072 83.762 1.00 0.00 N ATOM 1098 CA PRO A 71 13.928 -5.953 85.163 1.00 0.00 C ATOM 1099 C PRO A 71 15.010 -6.017 86.248 1.00 0.00 C ATOM 1100 O PRO A 71 14.730 -5.716 87.390 1.00 0.00 O ATOM 1101 CB PRO A 71 12.926 -7.119 85.283 1.00 0.00 C ATOM 1102 CG PRO A 71 12.706 -7.606 83.838 1.00 0.00 C ATOM 1103 CD PRO A 71 13.994 -7.327 83.112 1.00 0.00 C ATOM 0 HA PRO A 71 13.504 -4.965 85.341 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.322 -7.916 85.912 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.990 -6.790 85.736 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.467 -8.669 83.816 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.872 -7.082 83.371 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.726 -8.123 83.248 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.847 -7.209 82.038 1.00 0.00 H new ATOM 1111 N LEU A 72 16.217 -6.393 85.973 1.00 0.00 N ATOM 1112 CA LEU A 72 17.181 -6.422 87.096 1.00 0.00 C ATOM 1113 C LEU A 72 17.265 -5.019 87.673 1.00 0.00 C ATOM 1114 O LEU A 72 17.324 -4.846 88.868 1.00 0.00 O ATOM 1115 CB LEU A 72 18.586 -6.931 86.678 1.00 0.00 C ATOM 1116 CG LEU A 72 18.570 -7.718 85.349 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.314 -8.619 85.205 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.678 -6.740 84.174 1.00 0.00 C ATOM 0 H LEU A 72 16.571 -6.672 85.058 1.00 0.00 H new ATOM 0 HA LEU A 72 16.824 -7.131 87.843 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.261 -6.081 86.583 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.985 -7.568 87.467 1.00 0.00 H new ATOM 0 HG LEU A 72 19.430 -8.388 85.348 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.354 -9.149 84.253 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.288 -9.341 86.022 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.417 -8.001 85.239 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.667 -7.295 83.236 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.835 -6.049 84.197 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.609 -6.179 84.252 1.00 0.00 H new ATOM 1130 N LEU A 73 17.240 -4.009 86.843 1.00 0.00 N ATOM 1131 CA LEU A 73 17.302 -2.634 87.398 1.00 0.00 C ATOM 1132 C LEU A 73 15.990 -2.311 88.084 1.00 0.00 C ATOM 1133 O LEU A 73 15.911 -1.469 88.950 1.00 0.00 O ATOM 1134 CB LEU A 73 17.599 -1.632 86.301 1.00 0.00 C ATOM 1135 CG LEU A 73 18.875 -2.074 85.577 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.538 -3.118 84.485 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.579 -0.834 85.008 1.00 0.00 C ATOM 0 H LEU A 73 17.181 -4.077 85.827 1.00 0.00 H new ATOM 0 HA LEU A 73 18.108 -2.575 88.129 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.765 -1.577 85.601 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.728 -0.635 86.722 1.00 0.00 H new ATOM 0 HG LEU A 73 19.558 -2.561 86.273 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.454 -3.423 83.979 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.071 -3.988 84.946 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.852 -2.679 83.761 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.489 -1.138 84.490 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.915 -0.328 84.308 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.834 -0.155 85.822 1.00 0.00 H new ATOM 1149 N SER A 74 14.954 -2.985 87.720 1.00 0.00 N ATOM 1150 CA SER A 74 13.665 -2.709 88.379 1.00 0.00 C ATOM 1151 C SER A 74 13.826 -2.936 89.899 1.00 0.00 C ATOM 1152 O SER A 74 13.454 -2.103 90.712 1.00 0.00 O ATOM 1153 CB SER A 74 12.573 -3.611 87.796 1.00 0.00 C ATOM 1154 OG SER A 74 11.335 -3.321 88.434 1.00 0.00 O ATOM 0 H SER A 74 14.940 -3.709 87.002 1.00 0.00 H new ATOM 0 HA SER A 74 13.367 -1.675 88.204 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.488 -3.451 86.721 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.834 -4.659 87.942 1.00 0.00 H new ATOM 0 HG SER A 74 10.633 -3.895 88.062 1.00 0.00 H new ATOM 1160 N ALA A 75 14.395 -4.053 90.293 1.00 0.00 N ATOM 1161 CA ALA A 75 14.588 -4.324 91.761 1.00 0.00 C ATOM 1162 C ALA A 75 15.686 -3.416 92.343 1.00 0.00 C ATOM 1163 O ALA A 75 15.641 -3.050 93.500 1.00 0.00 O ATOM 1164 CB ALA A 75 14.967 -5.787 91.982 1.00 0.00 C ATOM 0 H ALA A 75 14.733 -4.785 89.669 1.00 0.00 H new ATOM 0 HA ALA A 75 13.648 -4.112 92.271 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.104 -5.970 93.048 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.173 -6.430 91.602 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.895 -6.006 91.454 1.00 0.00 H new ATOM 1170 N VAL A 76 16.667 -3.051 91.557 1.00 0.00 N ATOM 1171 CA VAL A 76 17.763 -2.166 92.063 1.00 0.00 C ATOM 1172 C VAL A 76 17.148 -1.008 92.838 1.00 0.00 C ATOM 1173 O VAL A 76 17.332 -0.877 94.031 1.00 0.00 O ATOM 1174 CB VAL A 76 18.562 -1.657 90.841 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.519 -0.491 91.151 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.386 -2.808 90.316 1.00 0.00 C ATOM 0 H VAL A 76 16.757 -3.329 90.580 1.00 0.00 H new ATOM 0 HA VAL A 76 18.433 -2.705 92.733 1.00 0.00 H new ATOM 0 HB VAL A 76 17.834 -1.283 90.121 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.040 -0.195 90.240 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.949 0.355 91.534 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.247 -0.807 91.899 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.962 -2.478 89.451 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.066 -3.154 91.095 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.726 -3.624 90.022 1.00 0.00 H new ATOM 1186 N TYR A 77 16.427 -0.159 92.170 1.00 0.00 N ATOM 1187 CA TYR A 77 15.815 0.993 92.881 1.00 0.00 C ATOM 1188 C TYR A 77 14.624 0.496 93.716 1.00 0.00 C ATOM 1189 O TYR A 77 13.549 1.062 93.667 1.00 0.00 O ATOM 1190 CB TYR A 77 15.338 2.059 91.865 1.00 0.00 C ATOM 1191 CG TYR A 77 16.114 1.936 90.581 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.318 2.629 90.413 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.620 1.133 89.552 1.00 0.00 C ATOM 1194 CE1 TYR A 77 18.025 2.514 89.220 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.327 1.021 88.355 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.532 1.711 88.187 1.00 0.00 C ATOM 1197 OH TYR A 77 18.233 1.603 87.007 1.00 0.00 O ATOM 0 H TYR A 77 16.235 -0.211 91.170 1.00 0.00 H new ATOM 0 HA TYR A 77 16.558 1.447 93.536 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.273 1.934 91.668 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.470 3.056 92.284 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.698 3.253 91.209 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.691 0.599 89.683 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.956 3.046 89.092 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.944 0.401 87.558 1.00 0.00 H new ATOM 0 HH TYR A 77 17.629 1.764 86.252 1.00 0.00 H new ATOM 1207 N GLU A 78 14.798 -0.562 94.475 1.00 0.00 N ATOM 1208 CA GLU A 78 13.660 -1.094 95.297 1.00 0.00 C ATOM 1209 C GLU A 78 14.130 -1.348 96.725 1.00 0.00 C ATOM 1210 O GLU A 78 13.368 -1.274 97.668 1.00 0.00 O ATOM 1211 CB GLU A 78 13.206 -2.427 94.691 1.00 0.00 C ATOM 1212 CG GLU A 78 11.748 -2.727 95.087 1.00 0.00 C ATOM 1213 CD GLU A 78 11.471 -4.229 94.947 1.00 0.00 C ATOM 1214 OE1 GLU A 78 12.168 -4.872 94.179 1.00 0.00 O ATOM 1215 OE2 GLU A 78 10.570 -4.710 95.612 1.00 0.00 O ATOM 0 H GLU A 78 15.674 -1.078 94.561 1.00 0.00 H new ATOM 0 HA GLU A 78 12.844 -0.372 95.304 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.294 -2.389 93.605 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.856 -3.231 95.036 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.567 -2.409 96.114 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.065 -2.161 94.453 1.00 0.00 H new ATOM 1222 N GLY A 79 15.375 -1.694 96.880 1.00 0.00 N ATOM 1223 CA GLY A 79 15.900 -2.013 98.232 1.00 0.00 C ATOM 1224 C GLY A 79 15.764 -3.518 98.413 1.00 0.00 C ATOM 1225 O GLY A 79 16.228 -4.092 99.377 1.00 0.00 O ATOM 0 H GLY A 79 16.055 -1.770 96.123 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.941 -1.705 98.325 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.340 -1.479 99.000 1.00 0.00 H new ATOM 1229 N HIS A 80 15.144 -4.162 97.457 1.00 0.00 N ATOM 1230 CA HIS A 80 14.986 -5.631 97.531 1.00 0.00 C ATOM 1231 C HIS A 80 16.294 -6.283 97.144 1.00 0.00 C ATOM 1232 O HIS A 80 16.857 -7.026 97.917 1.00 0.00 O ATOM 1233 CB HIS A 80 13.875 -6.076 96.571 1.00 0.00 C ATOM 1234 CG HIS A 80 12.546 -5.979 97.260 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.766 -7.095 97.462 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.882 -4.938 97.856 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.689 -6.721 98.160 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.702 -5.410 98.428 1.00 0.00 N ATOM 0 H HIS A 80 14.742 -3.725 96.628 1.00 0.00 H new ATOM 0 HA HIS A 80 14.716 -5.927 98.545 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.880 -5.451 95.678 1.00 0.00 H new ATOM 0 HB3 HIS A 80 14.052 -7.100 96.243 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.220 -3.913 97.879 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.904 -7.395 98.470 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.001 -4.873 98.939 1.00 0.00 H new ATOM 1246 N VAL A 81 16.785 -5.986 95.966 1.00 0.00 N ATOM 1247 CA VAL A 81 18.084 -6.550 95.499 1.00 0.00 C ATOM 1248 C VAL A 81 18.358 -7.942 96.091 1.00 0.00 C ATOM 1249 O VAL A 81 19.476 -8.429 96.120 1.00 0.00 O ATOM 1250 CB VAL A 81 19.187 -5.542 95.838 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.248 -4.443 94.766 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.858 -4.860 97.159 1.00 0.00 C ATOM 0 H VAL A 81 16.329 -5.364 95.298 1.00 0.00 H new ATOM 0 HA VAL A 81 18.052 -6.703 94.420 1.00 0.00 H new ATOM 0 HB VAL A 81 20.135 -6.077 95.892 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.035 -3.733 95.018 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.461 -4.892 93.796 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.291 -3.923 94.723 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.641 -4.142 97.403 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.904 -4.340 97.072 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.793 -5.609 97.949 1.00 0.00 H new ATOM 1262 N SER A 82 17.326 -8.611 96.488 1.00 0.00 N ATOM 1263 CA SER A 82 17.461 -9.990 96.978 1.00 0.00 C ATOM 1264 C SER A 82 17.301 -10.818 95.720 1.00 0.00 C ATOM 1265 O SER A 82 17.816 -11.911 95.582 1.00 0.00 O ATOM 1266 CB SER A 82 16.347 -10.290 97.980 1.00 0.00 C ATOM 1267 OG SER A 82 16.131 -11.692 98.040 1.00 0.00 O ATOM 0 H SER A 82 16.373 -8.248 96.492 1.00 0.00 H new ATOM 0 HA SER A 82 18.401 -10.188 97.494 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.617 -9.910 98.965 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.429 -9.782 97.683 1.00 0.00 H new ATOM 0 HG SER A 82 15.418 -11.886 98.683 1.00 0.00 H new ATOM 1273 N CYS A 83 16.584 -10.249 94.778 1.00 0.00 N ATOM 1274 CA CYS A 83 16.364 -10.932 93.473 1.00 0.00 C ATOM 1275 C CYS A 83 17.600 -10.717 92.580 1.00 0.00 C ATOM 1276 O CYS A 83 18.096 -11.649 91.989 1.00 0.00 O ATOM 1277 CB CYS A 83 15.115 -10.369 92.789 1.00 0.00 C ATOM 1278 SG CYS A 83 15.506 -8.858 91.862 1.00 0.00 S ATOM 0 H CYS A 83 16.141 -9.334 94.863 1.00 0.00 H new ATOM 0 HA CYS A 83 16.215 -11.999 93.639 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.698 -11.116 92.114 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.352 -10.154 93.537 1.00 0.00 H new ATOM 0 HG CYS A 83 14.488 -8.525 91.125 1.00 0.00 H new ATOM 1284 N VAL A 84 18.113 -9.491 92.484 1.00 0.00 N ATOM 1285 CA VAL A 84 19.335 -9.249 91.630 1.00 0.00 C ATOM 1286 C VAL A 84 20.335 -10.363 91.902 1.00 0.00 C ATOM 1287 O VAL A 84 20.799 -11.028 91.007 1.00 0.00 O ATOM 1288 CB VAL A 84 20.006 -7.919 91.970 1.00 0.00 C ATOM 1289 CG1 VAL A 84 19.098 -6.759 91.554 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.320 -7.876 93.460 1.00 0.00 C ATOM 0 H VAL A 84 17.741 -8.666 92.954 1.00 0.00 H new ATOM 0 HA VAL A 84 19.025 -9.225 90.585 1.00 0.00 H new ATOM 0 HB VAL A 84 20.943 -7.823 91.421 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.581 -5.813 91.799 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.916 -6.806 90.480 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.150 -6.830 92.086 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.799 -6.928 93.704 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.396 -7.973 94.030 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.991 -8.697 93.714 1.00 0.00 H new ATOM 1300 N LYS A 85 20.662 -10.575 93.148 1.00 0.00 N ATOM 1301 CA LYS A 85 21.625 -11.650 93.490 1.00 0.00 C ATOM 1302 C LYS A 85 21.083 -12.983 92.943 1.00 0.00 C ATOM 1303 O LYS A 85 21.781 -13.742 92.296 1.00 0.00 O ATOM 1304 CB LYS A 85 21.787 -11.675 95.031 1.00 0.00 C ATOM 1305 CG LYS A 85 23.135 -11.034 95.423 1.00 0.00 C ATOM 1306 CD LYS A 85 23.136 -10.611 96.899 1.00 0.00 C ATOM 1307 CE LYS A 85 24.337 -9.689 97.153 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.614 -9.617 98.618 1.00 0.00 N ATOM 0 H LYS A 85 20.301 -10.047 93.942 1.00 0.00 H new ATOM 0 HA LYS A 85 22.605 -11.478 93.044 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.966 -11.134 95.501 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.742 -12.702 95.394 1.00 0.00 H new ATOM 0 HG2 LYS A 85 23.944 -11.742 95.244 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.326 -10.166 94.792 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.207 -10.096 97.144 1.00 0.00 H new ATOM 0 HD3 LYS A 85 23.192 -11.489 97.542 1.00 0.00 H new ATOM 0 HE2 LYS A 85 25.214 -10.064 96.625 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.132 -8.692 96.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.428 -8.992 98.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.779 -9.240 99.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.828 -10.569 98.978 1.00 0.00 H new ATOM 1322 N LEU A 86 19.839 -13.255 93.176 1.00 0.00 N ATOM 1323 CA LEU A 86 19.218 -14.500 92.660 1.00 0.00 C ATOM 1324 C LEU A 86 19.184 -14.444 91.130 1.00 0.00 C ATOM 1325 O LEU A 86 19.061 -15.441 90.448 1.00 0.00 O ATOM 1326 CB LEU A 86 17.778 -14.505 93.194 1.00 0.00 C ATOM 1327 CG LEU A 86 17.293 -15.907 93.536 1.00 0.00 C ATOM 1328 CD1 LEU A 86 15.982 -15.748 94.294 1.00 0.00 C ATOM 1329 CD2 LEU A 86 17.047 -16.727 92.259 1.00 0.00 C ATOM 0 H LEU A 86 19.211 -12.657 93.713 1.00 0.00 H new ATOM 0 HA LEU A 86 19.769 -15.388 92.969 1.00 0.00 H new ATOM 0 HB2 LEU A 86 17.720 -13.876 94.083 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.115 -14.065 92.449 1.00 0.00 H new ATOM 0 HG LEU A 86 18.042 -16.431 94.130 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.595 -16.731 94.561 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.154 -15.167 95.200 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.258 -15.232 93.664 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.701 -17.725 92.528 1.00 0.00 H new ATOM 0 HD22 LEU A 86 16.290 -16.233 91.649 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.975 -16.805 91.692 1.00 0.00 H new ATOM 1341 N LEU A 87 19.214 -13.264 90.603 1.00 0.00 N ATOM 1342 CA LEU A 87 19.087 -13.091 89.135 1.00 0.00 C ATOM 1343 C LEU A 87 20.340 -13.481 88.362 1.00 0.00 C ATOM 1344 O LEU A 87 20.309 -14.420 87.593 1.00 0.00 O ATOM 1345 CB LEU A 87 18.735 -11.624 88.860 1.00 0.00 C ATOM 1346 CG LEU A 87 17.290 -11.488 88.393 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.858 -10.027 88.496 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.184 -11.947 86.946 1.00 0.00 C ATOM 0 H LEU A 87 19.322 -12.398 91.131 1.00 0.00 H new ATOM 0 HA LEU A 87 18.304 -13.764 88.786 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.886 -11.034 89.764 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.406 -11.221 88.101 1.00 0.00 H new ATOM 0 HG LEU A 87 16.644 -12.103 89.020 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.825 -9.929 88.162 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.938 -9.696 89.531 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.502 -9.412 87.868 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.152 -11.851 86.609 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.829 -11.330 86.320 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.495 -12.989 86.871 1.00 0.00 H new ATOM 1360 N LEU A 88 21.425 -12.765 88.484 1.00 0.00 N ATOM 1361 CA LEU A 88 22.590 -13.145 87.658 1.00 0.00 C ATOM 1362 C LEU A 88 22.883 -14.620 87.840 1.00 0.00 C ATOM 1363 O LEU A 88 23.576 -15.234 87.052 1.00 0.00 O ATOM 1364 CB LEU A 88 23.825 -12.274 87.945 1.00 0.00 C ATOM 1365 CG LEU A 88 24.473 -12.569 89.319 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.419 -12.516 90.413 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.176 -13.945 89.334 1.00 0.00 C ATOM 0 H LEU A 88 21.548 -11.961 89.100 1.00 0.00 H new ATOM 0 HA LEU A 88 22.339 -12.963 86.613 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.564 -12.433 87.160 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.538 -11.223 87.904 1.00 0.00 H new ATOM 0 HG LEU A 88 25.228 -11.805 89.501 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.884 -12.725 91.377 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.967 -11.524 90.435 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.649 -13.261 90.213 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.619 -14.117 90.315 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.448 -14.728 89.123 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.958 -13.962 88.575 1.00 0.00 H new ATOM 1379 N SER A 89 22.317 -15.210 88.848 1.00 0.00 N ATOM 1380 CA SER A 89 22.522 -16.661 89.040 1.00 0.00 C ATOM 1381 C SER A 89 21.987 -17.337 87.781 1.00 0.00 C ATOM 1382 O SER A 89 22.249 -18.489 87.502 1.00 0.00 O ATOM 1383 CB SER A 89 21.746 -17.139 90.273 1.00 0.00 C ATOM 1384 OG SER A 89 22.275 -18.387 90.706 1.00 0.00 O ATOM 0 H SER A 89 21.726 -14.753 89.542 1.00 0.00 H new ATOM 0 HA SER A 89 23.573 -16.901 89.199 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.821 -16.402 91.073 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.688 -17.243 90.033 1.00 0.00 H new ATOM 0 HG SER A 89 21.782 -18.695 91.495 1.00 0.00 H new ATOM 1390 N LYS A 90 21.223 -16.589 87.022 1.00 0.00 N ATOM 1391 CA LYS A 90 20.626 -17.102 85.763 1.00 0.00 C ATOM 1392 C LYS A 90 21.310 -16.433 84.561 1.00 0.00 C ATOM 1393 O LYS A 90 21.263 -16.934 83.454 1.00 0.00 O ATOM 1394 CB LYS A 90 19.129 -16.765 85.784 1.00 0.00 C ATOM 1395 CG LYS A 90 18.391 -17.830 86.592 1.00 0.00 C ATOM 1396 CD LYS A 90 16.917 -17.436 86.803 1.00 0.00 C ATOM 1397 CE LYS A 90 16.771 -16.585 88.069 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.032 -17.430 89.268 1.00 0.00 N ATOM 0 H LYS A 90 20.986 -15.620 87.234 1.00 0.00 H new ATOM 0 HA LYS A 90 20.764 -18.180 85.678 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.971 -15.781 86.225 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.738 -16.725 84.767 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.445 -18.788 86.074 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.878 -17.962 87.558 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.555 -16.880 85.939 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.302 -18.332 86.886 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.470 -15.749 88.041 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.768 -16.161 88.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.207 -17.399 89.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.203 -18.412 88.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.868 -17.070 89.771 1.00 0.00 H new ATOM 1412 N GLY A 91 21.949 -15.308 84.775 1.00 0.00 N ATOM 1413 CA GLY A 91 22.652 -14.597 83.658 1.00 0.00 C ATOM 1414 C GLY A 91 22.382 -13.094 83.757 1.00 0.00 C ATOM 1415 O GLY A 91 22.969 -12.398 84.557 1.00 0.00 O ATOM 0 H GLY A 91 22.015 -14.847 85.683 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.724 -14.788 83.709 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.306 -14.977 82.697 1.00 0.00 H new ATOM 1419 N ALA A 92 21.474 -12.605 82.961 1.00 0.00 N ATOM 1420 CA ALA A 92 21.113 -11.154 83.002 1.00 0.00 C ATOM 1421 C ALA A 92 22.343 -10.259 83.202 1.00 0.00 C ATOM 1422 O ALA A 92 22.191 -9.124 83.606 1.00 0.00 O ATOM 1423 CB ALA A 92 20.168 -10.942 84.199 1.00 0.00 C ATOM 0 H ALA A 92 20.958 -13.153 82.273 1.00 0.00 H new ATOM 0 HA ALA A 92 20.650 -10.885 82.052 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.885 -9.891 84.257 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.274 -11.552 84.069 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.675 -11.233 85.119 1.00 0.00 H new ATOM 1429 N ASP A 93 23.535 -10.762 82.974 1.00 0.00 N ATOM 1430 CA ASP A 93 24.791 -9.951 83.205 1.00 0.00 C ATOM 1431 C ASP A 93 24.520 -8.852 84.265 1.00 0.00 C ATOM 1432 O ASP A 93 24.414 -9.136 85.441 1.00 0.00 O ATOM 1433 CB ASP A 93 25.319 -9.370 81.874 1.00 0.00 C ATOM 1434 CG ASP A 93 24.361 -8.335 81.290 1.00 0.00 C ATOM 1435 OD1 ASP A 93 23.251 -8.245 81.772 1.00 0.00 O ATOM 1436 OD2 ASP A 93 24.760 -7.644 80.365 1.00 0.00 O ATOM 0 H ASP A 93 23.700 -11.709 82.634 1.00 0.00 H new ATOM 0 HA ASP A 93 25.575 -10.600 83.596 1.00 0.00 H new ATOM 0 HB2 ASP A 93 26.294 -8.911 82.039 1.00 0.00 H new ATOM 0 HB3 ASP A 93 25.464 -10.178 81.156 1.00 0.00 H new ATOM 1441 N LYS A 94 24.354 -7.624 83.860 1.00 0.00 N ATOM 1442 CA LYS A 94 24.026 -6.540 84.832 1.00 0.00 C ATOM 1443 C LYS A 94 23.491 -5.339 84.046 1.00 0.00 C ATOM 1444 O LYS A 94 22.641 -4.598 84.500 1.00 0.00 O ATOM 1445 CB LYS A 94 25.260 -6.155 85.664 1.00 0.00 C ATOM 1446 CG LYS A 94 26.363 -5.512 84.798 1.00 0.00 C ATOM 1447 CD LYS A 94 27.177 -6.589 84.019 1.00 0.00 C ATOM 1448 CE LYS A 94 27.127 -6.308 82.516 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.187 -7.099 81.831 1.00 0.00 N ATOM 0 H LYS A 94 24.432 -7.321 82.889 1.00 0.00 H new ATOM 0 HA LYS A 94 23.268 -6.887 85.534 1.00 0.00 H new ATOM 0 HB2 LYS A 94 24.965 -5.460 86.450 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.657 -7.043 86.156 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.913 -4.814 84.092 1.00 0.00 H new ATOM 0 HG3 LYS A 94 27.035 -4.935 85.433 1.00 0.00 H new ATOM 0 HD2 LYS A 94 28.212 -6.591 84.361 1.00 0.00 H new ATOM 0 HD3 LYS A 94 26.772 -7.580 84.224 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.147 -6.571 82.118 1.00 0.00 H new ATOM 0 HE3 LYS A 94 27.273 -5.244 82.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 27.940 -7.215 80.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 29.097 -6.601 81.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 28.266 -8.034 82.278 1.00 0.00 H new ATOM 1463 N THR A 95 23.990 -5.174 82.852 1.00 0.00 N ATOM 1464 CA THR A 95 23.560 -4.069 81.956 1.00 0.00 C ATOM 1465 C THR A 95 23.168 -4.714 80.635 1.00 0.00 C ATOM 1466 O THR A 95 23.629 -4.339 79.576 1.00 0.00 O ATOM 1467 CB THR A 95 24.724 -3.098 81.715 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.350 -2.788 82.952 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.197 -1.812 81.067 1.00 0.00 C ATOM 0 H THR A 95 24.703 -5.783 82.449 1.00 0.00 H new ATOM 0 HA THR A 95 22.735 -3.510 82.397 1.00 0.00 H new ATOM 0 HB THR A 95 25.451 -3.564 81.050 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.094 -2.169 82.796 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.025 -1.124 80.897 1.00 0.00 H new ATOM 0 HG22 THR A 95 23.723 -2.052 80.115 1.00 0.00 H new ATOM 0 HG23 THR A 95 23.467 -1.344 81.728 1.00 0.00 H new ATOM 1477 N VAL A 96 22.350 -5.716 80.708 1.00 0.00 N ATOM 1478 CA VAL A 96 21.944 -6.451 79.481 1.00 0.00 C ATOM 1479 C VAL A 96 21.052 -5.544 78.605 1.00 0.00 C ATOM 1480 O VAL A 96 20.739 -5.881 77.481 1.00 0.00 O ATOM 1481 CB VAL A 96 21.195 -7.759 79.935 1.00 0.00 C ATOM 1482 CG1 VAL A 96 19.760 -7.824 79.376 1.00 0.00 C ATOM 1483 CG2 VAL A 96 21.967 -9.056 79.523 1.00 0.00 C ATOM 0 H VAL A 96 21.938 -6.064 81.574 1.00 0.00 H new ATOM 0 HA VAL A 96 22.807 -6.728 78.876 1.00 0.00 H new ATOM 0 HB VAL A 96 21.149 -7.711 81.023 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.279 -8.742 79.713 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.192 -6.965 79.732 1.00 0.00 H new ATOM 0 HG13 VAL A 96 19.793 -7.811 78.287 1.00 0.00 H new ATOM 0 HG21 VAL A 96 21.411 -9.932 79.858 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.074 -9.087 78.439 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.954 -9.054 79.985 1.00 0.00 H new ATOM 1493 N LYS A 97 20.662 -4.392 79.081 1.00 0.00 N ATOM 1494 CA LYS A 97 19.823 -3.510 78.207 1.00 0.00 C ATOM 1495 C LYS A 97 19.697 -2.088 78.789 1.00 0.00 C ATOM 1496 O LYS A 97 19.027 -1.249 78.220 1.00 0.00 O ATOM 1497 CB LYS A 97 18.424 -4.153 78.026 1.00 0.00 C ATOM 1498 CG LYS A 97 18.017 -4.187 76.540 1.00 0.00 C ATOM 1499 CD LYS A 97 17.780 -2.760 76.033 1.00 0.00 C ATOM 1500 CE LYS A 97 17.019 -2.805 74.703 1.00 0.00 C ATOM 1501 NZ LYS A 97 17.693 -3.747 73.765 1.00 0.00 N ATOM 0 H LYS A 97 20.878 -4.028 80.009 1.00 0.00 H new ATOM 0 HA LYS A 97 20.311 -3.417 77.237 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.431 -5.166 78.427 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.685 -3.590 78.596 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.798 -4.667 75.951 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.112 -4.782 76.415 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.212 -2.192 76.769 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.733 -2.248 75.901 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.990 -3.122 74.873 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.977 -1.808 74.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.402 -3.533 72.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.724 -3.642 73.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.424 -4.724 74.000 1.00 0.00 H new ATOM 1515 N GLY A 98 20.319 -1.795 79.899 1.00 0.00 N ATOM 1516 CA GLY A 98 20.197 -0.419 80.460 1.00 0.00 C ATOM 1517 C GLY A 98 21.080 0.537 79.649 1.00 0.00 C ATOM 1518 O GLY A 98 21.792 0.106 78.763 1.00 0.00 O ATOM 0 H GLY A 98 20.899 -2.440 80.436 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.158 -0.090 80.426 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.499 -0.412 81.507 1.00 0.00 H new ATOM 1522 N PRO A 99 21.028 1.809 79.980 1.00 0.00 N ATOM 1523 CA PRO A 99 21.841 2.829 79.290 1.00 0.00 C ATOM 1524 C PRO A 99 23.256 2.301 79.061 1.00 0.00 C ATOM 1525 O PRO A 99 23.643 1.969 77.957 1.00 0.00 O ATOM 1526 CB PRO A 99 21.818 4.027 80.264 1.00 0.00 C ATOM 1527 CG PRO A 99 20.567 3.831 81.157 1.00 0.00 C ATOM 1528 CD PRO A 99 20.169 2.341 81.059 1.00 0.00 C ATOM 0 HA PRO A 99 21.466 3.101 78.303 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.726 4.057 80.866 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.765 4.970 79.720 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.784 4.105 82.190 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.750 4.471 80.822 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.342 1.819 82.000 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.112 2.226 80.820 1.00 0.00 H new ATOM 1536 N ASP A 100 24.024 2.222 80.095 1.00 0.00 N ATOM 1537 CA ASP A 100 25.405 1.719 79.956 1.00 0.00 C ATOM 1538 C ASP A 100 25.925 1.362 81.340 1.00 0.00 C ATOM 1539 O ASP A 100 25.405 0.489 82.012 1.00 0.00 O ATOM 1540 CB ASP A 100 26.280 2.812 79.332 1.00 0.00 C ATOM 1541 CG ASP A 100 27.665 2.245 79.019 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.888 1.081 79.307 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.480 2.987 78.495 1.00 0.00 O ATOM 0 H ASP A 100 23.753 2.487 81.042 1.00 0.00 H new ATOM 0 HA ASP A 100 25.429 0.838 79.314 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.815 3.187 78.420 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.368 3.656 80.016 1.00 0.00 H new ATOM 1548 N GLY A 101 26.931 2.033 81.786 1.00 0.00 N ATOM 1549 CA GLY A 101 27.462 1.725 83.123 1.00 0.00 C ATOM 1550 C GLY A 101 26.381 1.992 84.166 1.00 0.00 C ATOM 1551 O GLY A 101 26.570 1.741 85.342 1.00 0.00 O ATOM 0 H GLY A 101 27.409 2.781 81.284 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.780 0.684 83.170 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.341 2.336 83.328 1.00 0.00 H new ATOM 1555 N LEU A 102 25.220 2.470 83.774 1.00 0.00 N ATOM 1556 CA LEU A 102 24.196 2.717 84.800 1.00 0.00 C ATOM 1557 C LEU A 102 24.015 1.507 85.608 1.00 0.00 C ATOM 1558 O LEU A 102 24.455 1.473 86.739 1.00 0.00 O ATOM 1559 CB LEU A 102 22.837 3.134 84.215 1.00 0.00 C ATOM 1560 CG LEU A 102 21.927 3.625 85.359 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.727 4.388 84.808 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.447 2.466 86.250 1.00 0.00 C ATOM 0 H LEU A 102 24.957 2.689 82.813 1.00 0.00 H new ATOM 0 HA LEU A 102 24.554 3.548 85.407 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.972 3.924 83.476 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.374 2.292 83.701 1.00 0.00 H new ATOM 0 HG LEU A 102 22.525 4.297 85.975 1.00 0.00 H new ATOM 0 HD11 LEU A 102 20.100 4.724 85.633 1.00 0.00 H new ATOM 0 HD12 LEU A 102 21.074 5.252 84.241 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.148 3.734 84.156 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.809 2.857 87.043 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.883 1.754 85.648 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.309 1.965 86.691 1.00 0.00 H new ATOM 1574 N THR A 103 23.331 0.539 85.079 1.00 0.00 N ATOM 1575 CA THR A 103 23.050 -0.674 85.870 1.00 0.00 C ATOM 1576 C THR A 103 23.047 -0.274 87.345 1.00 0.00 C ATOM 1577 O THR A 103 22.189 0.436 87.838 1.00 0.00 O ATOM 1578 CB THR A 103 24.155 -1.708 85.589 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.281 -2.605 86.687 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.487 -0.988 85.351 1.00 0.00 C ATOM 0 H THR A 103 22.955 0.539 84.131 1.00 0.00 H new ATOM 0 HA THR A 103 22.087 -1.112 85.608 1.00 0.00 H new ATOM 0 HB THR A 103 23.888 -2.278 84.699 1.00 0.00 H new ATOM 0 HG1 THR A 103 24.985 -3.259 86.496 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.267 -1.723 85.152 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.392 -0.320 84.495 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.751 -0.409 86.236 1.00 0.00 H new ATOM 1588 N ALA A 104 24.019 -0.662 88.031 1.00 0.00 N ATOM 1589 CA ALA A 104 24.098 -0.305 89.456 1.00 0.00 C ATOM 1590 C ALA A 104 24.892 0.990 89.698 1.00 0.00 C ATOM 1591 O ALA A 104 24.695 1.664 90.691 1.00 0.00 O ATOM 1592 CB ALA A 104 24.784 -1.463 90.110 1.00 0.00 C ATOM 0 H ALA A 104 24.793 -1.226 87.680 1.00 0.00 H new ATOM 0 HA ALA A 104 23.103 -0.116 89.860 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.881 -1.272 91.179 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.197 -2.368 89.955 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.774 -1.593 89.673 1.00 0.00 H new ATOM 1598 N LEU A 105 25.816 1.322 88.843 1.00 0.00 N ATOM 1599 CA LEU A 105 26.646 2.533 89.082 1.00 0.00 C ATOM 1600 C LEU A 105 25.829 3.820 89.211 1.00 0.00 C ATOM 1601 O LEU A 105 25.861 4.478 90.233 1.00 0.00 O ATOM 1602 CB LEU A 105 27.604 2.741 87.925 1.00 0.00 C ATOM 1603 CG LEU A 105 28.294 1.447 87.550 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.330 1.766 86.473 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.984 0.870 88.781 1.00 0.00 C ATOM 0 H LEU A 105 26.032 0.808 87.989 1.00 0.00 H new ATOM 0 HA LEU A 105 27.163 2.349 90.024 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.060 3.130 87.064 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.349 3.489 88.196 1.00 0.00 H new ATOM 0 HG LEU A 105 27.575 0.717 87.177 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.845 0.851 86.181 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.831 2.194 85.604 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.054 2.481 86.865 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.482 -0.062 88.515 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.721 1.582 89.152 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.243 0.677 89.557 1.00 0.00 H new ATOM 1617 N GLU A 106 25.172 4.249 88.161 1.00 0.00 N ATOM 1618 CA GLU A 106 24.460 5.562 88.247 1.00 0.00 C ATOM 1619 C GLU A 106 23.133 5.353 88.969 1.00 0.00 C ATOM 1620 O GLU A 106 22.365 6.275 89.161 1.00 0.00 O ATOM 1621 CB GLU A 106 24.288 6.166 86.807 1.00 0.00 C ATOM 1622 CG GLU A 106 22.886 6.745 86.532 1.00 0.00 C ATOM 1623 CD GLU A 106 22.734 8.082 87.258 1.00 0.00 C ATOM 1624 OE1 GLU A 106 23.720 8.792 87.361 1.00 0.00 O ATOM 1625 OE2 GLU A 106 21.635 8.371 87.701 1.00 0.00 O ATOM 0 H GLU A 106 25.098 3.761 87.268 1.00 0.00 H new ATOM 0 HA GLU A 106 25.038 6.285 88.822 1.00 0.00 H new ATOM 0 HB2 GLU A 106 25.029 6.952 86.663 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.500 5.390 86.071 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.742 6.883 85.460 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.120 6.047 86.870 1.00 0.00 H new ATOM 1632 N ALA A 107 22.852 4.143 89.363 1.00 0.00 N ATOM 1633 CA ALA A 107 21.565 3.882 90.051 1.00 0.00 C ATOM 1634 C ALA A 107 21.551 4.366 91.515 1.00 0.00 C ATOM 1635 O ALA A 107 20.558 4.907 91.964 1.00 0.00 O ATOM 1636 CB ALA A 107 21.301 2.382 90.026 1.00 0.00 C ATOM 0 H ALA A 107 23.456 3.330 89.238 1.00 0.00 H new ATOM 0 HA ALA A 107 20.792 4.440 89.522 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.357 2.170 90.528 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.247 2.039 88.993 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.110 1.862 90.539 1.00 0.00 H new ATOM 1642 N THR A 108 22.576 4.127 92.300 1.00 0.00 N ATOM 1643 CA THR A 108 22.481 4.537 93.734 1.00 0.00 C ATOM 1644 C THR A 108 23.846 4.684 94.432 1.00 0.00 C ATOM 1645 O THR A 108 24.852 5.017 93.838 1.00 0.00 O ATOM 1646 CB THR A 108 21.739 3.413 94.429 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.512 3.753 95.789 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.599 2.141 94.347 1.00 0.00 C ATOM 0 H THR A 108 23.449 3.679 92.020 1.00 0.00 H new ATOM 0 HA THR A 108 21.994 5.511 93.785 1.00 0.00 H new ATOM 0 HB THR A 108 20.776 3.246 93.946 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.031 3.024 96.233 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.082 1.319 94.842 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.770 1.884 93.302 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.556 2.316 94.839 1.00 0.00 H new ATOM 1656 N ASP A 109 23.842 4.394 95.720 1.00 0.00 N ATOM 1657 CA ASP A 109 25.073 4.451 96.556 1.00 0.00 C ATOM 1658 C ASP A 109 24.998 3.383 97.647 1.00 0.00 C ATOM 1659 O ASP A 109 25.943 3.182 98.382 1.00 0.00 O ATOM 1660 CB ASP A 109 25.223 5.834 97.197 1.00 0.00 C ATOM 1661 CG ASP A 109 26.641 5.985 97.756 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.557 5.471 97.136 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.786 6.611 98.792 1.00 0.00 O ATOM 0 H ASP A 109 23.005 4.113 96.231 1.00 0.00 H new ATOM 0 HA ASP A 109 25.939 4.266 95.920 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.026 6.612 96.459 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.491 5.959 97.995 1.00 0.00 H new ATOM 1668 N ASN A 110 23.910 2.655 97.745 1.00 0.00 N ATOM 1669 CA ASN A 110 23.867 1.583 98.780 1.00 0.00 C ATOM 1670 C ASN A 110 24.687 0.428 98.215 1.00 0.00 C ATOM 1671 O ASN A 110 24.654 0.151 97.038 1.00 0.00 O ATOM 1672 CB ASN A 110 22.428 1.161 99.101 1.00 0.00 C ATOM 1673 CG ASN A 110 21.811 0.458 97.911 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.331 0.649 96.746 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.852 -0.275 98.050 1.00 0.00 N flip ATOM 0 H ASN A 110 23.074 2.754 97.169 1.00 0.00 H new ATOM 0 HA ASN A 110 24.279 1.930 99.728 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.420 0.500 99.967 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.834 2.037 99.363 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.450 -0.418 98.976 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.449 -0.747 97.240 1.00 0.00 H new ATOM 1682 N GLN A 111 25.494 -0.177 99.019 1.00 0.00 N ATOM 1683 CA GLN A 111 26.409 -1.235 98.513 1.00 0.00 C ATOM 1684 C GLN A 111 25.708 -2.574 98.154 1.00 0.00 C ATOM 1685 O GLN A 111 26.363 -3.546 97.842 1.00 0.00 O ATOM 1686 CB GLN A 111 27.491 -1.407 99.575 1.00 0.00 C ATOM 1687 CG GLN A 111 28.308 -2.687 99.352 1.00 0.00 C ATOM 1688 CD GLN A 111 29.638 -2.576 100.102 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.881 -3.297 101.050 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.514 -1.690 99.713 1.00 0.00 N ATOM 0 H GLN A 111 25.566 0.013 100.019 1.00 0.00 H new ATOM 0 HA GLN A 111 26.833 -0.923 97.558 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.156 -0.544 99.560 1.00 0.00 H new ATOM 0 HB3 GLN A 111 27.030 -1.437 100.562 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.750 -3.554 99.705 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.489 -2.836 98.287 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.309 -1.085 98.917 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.403 -1.602 100.205 1.00 0.00 H new ATOM 1699 N ALA A 112 24.400 -2.647 98.136 1.00 0.00 N ATOM 1700 CA ALA A 112 23.743 -3.939 97.738 1.00 0.00 C ATOM 1701 C ALA A 112 23.596 -3.950 96.215 1.00 0.00 C ATOM 1702 O ALA A 112 23.920 -4.904 95.520 1.00 0.00 O ATOM 1703 CB ALA A 112 22.365 -4.042 98.386 1.00 0.00 C ATOM 0 H ALA A 112 23.765 -1.885 98.374 1.00 0.00 H new ATOM 0 HA ALA A 112 24.348 -4.784 98.067 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.895 -4.981 98.093 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.470 -4.011 99.471 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.745 -3.208 98.058 1.00 0.00 H new ATOM 1709 N ILE A 113 23.158 -2.854 95.707 1.00 0.00 N ATOM 1710 CA ILE A 113 23.003 -2.684 94.239 1.00 0.00 C ATOM 1711 C ILE A 113 24.387 -2.771 93.652 1.00 0.00 C ATOM 1712 O ILE A 113 24.664 -3.465 92.685 1.00 0.00 O ATOM 1713 CB ILE A 113 22.471 -1.256 94.012 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.933 -1.215 94.055 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.971 -0.672 92.677 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.426 -1.212 95.497 1.00 0.00 C ATOM 0 H ILE A 113 22.890 -2.038 96.257 1.00 0.00 H new ATOM 0 HA ILE A 113 22.337 -3.425 93.796 1.00 0.00 H new ATOM 0 HB ILE A 113 22.859 -0.643 94.825 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.575 -0.325 93.538 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.528 -2.077 93.525 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.576 0.336 92.550 1.00 0.00 H new ATOM 0 HG22 ILE A 113 24.060 -0.637 92.680 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.631 -1.301 91.854 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.336 -1.183 95.500 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.766 -2.115 96.004 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.814 -0.336 96.017 1.00 0.00 H new ATOM 1728 N LYS A 114 25.256 -2.041 94.242 1.00 0.00 N ATOM 1729 CA LYS A 114 26.624 -2.022 93.764 1.00 0.00 C ATOM 1730 C LYS A 114 27.145 -3.457 93.784 1.00 0.00 C ATOM 1731 O LYS A 114 28.168 -3.767 93.228 1.00 0.00 O ATOM 1732 CB LYS A 114 27.446 -1.085 94.641 1.00 0.00 C ATOM 1733 CG LYS A 114 26.713 0.278 94.766 1.00 0.00 C ATOM 1734 CD LYS A 114 26.806 1.058 93.448 1.00 0.00 C ATOM 1735 CE LYS A 114 26.434 2.524 93.685 1.00 0.00 C ATOM 1736 NZ LYS A 114 26.654 3.306 92.436 1.00 0.00 N ATOM 0 H LYS A 114 25.068 -1.447 95.050 1.00 0.00 H new ATOM 0 HA LYS A 114 26.694 -1.646 92.743 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.590 -1.525 95.628 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.436 -0.940 94.209 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.667 0.113 95.025 1.00 0.00 H new ATOM 0 HG3 LYS A 114 27.154 0.862 95.574 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.817 0.990 93.045 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.138 0.619 92.707 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.391 2.599 93.994 1.00 0.00 H new ATOM 0 HE3 LYS A 114 27.037 2.936 94.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 26.482 4.314 92.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.634 3.176 92.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 26.000 2.974 91.699 1.00 0.00 H new ATOM 1750 N ALA A 115 26.413 -4.356 94.390 1.00 0.00 N ATOM 1751 CA ALA A 115 26.859 -5.761 94.374 1.00 0.00 C ATOM 1752 C ALA A 115 26.771 -6.240 92.934 1.00 0.00 C ATOM 1753 O ALA A 115 27.562 -7.039 92.487 1.00 0.00 O ATOM 1754 CB ALA A 115 25.972 -6.633 95.260 1.00 0.00 C ATOM 0 H ALA A 115 25.540 -4.173 94.885 1.00 0.00 H new ATOM 0 HA ALA A 115 27.876 -5.833 94.759 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.326 -7.663 95.227 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.012 -6.268 96.286 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.944 -6.591 94.900 1.00 0.00 H new ATOM 1760 N LEU A 116 25.810 -5.756 92.179 1.00 0.00 N ATOM 1761 CA LEU A 116 25.731 -6.210 90.758 1.00 0.00 C ATOM 1762 C LEU A 116 26.866 -5.621 89.914 1.00 0.00 C ATOM 1763 O LEU A 116 27.235 -6.187 88.905 1.00 0.00 O ATOM 1764 CB LEU A 116 24.347 -5.889 90.125 1.00 0.00 C ATOM 1765 CG LEU A 116 23.429 -7.134 90.127 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.121 -6.806 89.384 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.143 -8.313 89.411 1.00 0.00 C ATOM 0 H LEU A 116 25.099 -5.087 92.476 1.00 0.00 H new ATOM 0 HA LEU A 116 25.847 -7.294 90.766 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.869 -5.081 90.679 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.485 -5.537 89.103 1.00 0.00 H new ATOM 0 HG LEU A 116 23.207 -7.416 91.156 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.473 -7.682 89.384 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.615 -5.980 89.885 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.348 -6.523 88.356 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.493 -9.188 89.415 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.367 -8.032 88.382 1.00 0.00 H new ATOM 0 HD23 LEU A 116 25.070 -8.548 89.933 1.00 0.00 H new ATOM 1779 N LEU A 117 27.452 -4.527 90.303 1.00 0.00 N ATOM 1780 CA LEU A 117 28.577 -3.994 89.478 1.00 0.00 C ATOM 1781 C LEU A 117 29.814 -4.824 89.809 1.00 0.00 C ATOM 1782 O LEU A 117 30.870 -4.675 89.230 1.00 0.00 O ATOM 1783 CB LEU A 117 28.789 -2.500 89.799 1.00 0.00 C ATOM 1784 CG LEU A 117 29.782 -2.291 90.979 1.00 0.00 C ATOM 1785 CD1 LEU A 117 31.263 -2.398 90.526 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.527 -0.918 91.627 1.00 0.00 C ATOM 0 H LEU A 117 27.212 -3.987 91.134 1.00 0.00 H new ATOM 0 HA LEU A 117 28.364 -4.068 88.411 1.00 0.00 H new ATOM 0 HB2 LEU A 117 29.166 -1.989 88.913 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.831 -2.043 90.047 1.00 0.00 H new ATOM 0 HG LEU A 117 29.609 -3.086 91.705 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.918 -2.245 91.384 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.444 -3.386 90.103 1.00 0.00 H new ATOM 0 HD13 LEU A 117 31.469 -1.638 89.772 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.222 -0.771 92.454 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.674 -0.133 90.885 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.504 -0.877 92.001 1.00 0.00 H new ATOM 1798 N GLN A 118 29.663 -5.708 90.746 1.00 0.00 N ATOM 1799 CA GLN A 118 30.781 -6.575 91.168 1.00 0.00 C ATOM 1800 C GLN A 118 31.035 -7.666 90.113 1.00 0.00 C ATOM 1801 O GLN A 118 30.098 -8.017 89.415 1.00 0.00 O ATOM 1802 CB GLN A 118 30.402 -7.171 92.538 1.00 0.00 C ATOM 1803 CG GLN A 118 29.750 -8.553 92.399 1.00 0.00 C ATOM 1804 CD GLN A 118 28.982 -8.890 93.682 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.407 -8.541 94.766 1.00 0.00 O ATOM 1806 NE2 GLN A 118 27.863 -9.558 93.606 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.160 -8.126 90.025 1.00 0.00 O ATOM 0 H GLN A 118 28.789 -5.868 91.247 1.00 0.00 H new ATOM 0 HA GLN A 118 31.710 -6.012 91.260 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.294 -7.251 93.159 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.717 -6.496 93.051 1.00 0.00 H new ATOM 0 HG2 GLN A 118 29.073 -8.563 91.545 1.00 0.00 H new ATOM 0 HG3 GLN A 118 30.512 -9.309 92.210 1.00 0.00 H new ATOM 0 HE21 GLN A 118 27.505 -9.852 92.697 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.347 -9.786 94.455 1.00 0.00 H new