USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 484 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 Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.27) USER MOD Single : A 17 GLN : amide:sc= -3.86! C(o=-3.9!,f=-8.1!) USER MOD Single : A 22 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0639 K(o=-0.064,f=-0.91) USER MOD Single : B 4 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= -1.72 K(o=-1.7,f=-0.47) USER MOD Single : B 17 GLN : amide:sc= -2.73! C(o=-2.7!,f=-6.7!) USER MOD Single : B 22 ASN : amide:sc= -0.0594 K(o=-0.059,f=-1.4!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.126 K(o=-0.13,f=-1) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 4 19.460 -10.716 -2.672 1.00 0.00 N ATOM 38 CA TYR A 4 20.106 -9.540 -2.019 1.00 0.00 C ATOM 39 C TYR A 4 21.151 -8.924 -2.953 1.00 0.00 C ATOM 40 O TYR A 4 21.098 -9.090 -4.156 1.00 0.00 O ATOM 41 CB TYR A 4 20.773 -10.102 -0.763 1.00 0.00 C ATOM 42 CG TYR A 4 21.751 -11.184 -1.152 1.00 0.00 C ATOM 43 CD1 TYR A 4 21.323 -12.514 -1.243 1.00 0.00 C ATOM 44 CD2 TYR A 4 23.086 -10.858 -1.422 1.00 0.00 C ATOM 45 CE1 TYR A 4 22.230 -13.518 -1.603 1.00 0.00 C ATOM 46 CE2 TYR A 4 23.993 -11.862 -1.782 1.00 0.00 C ATOM 47 CZ TYR A 4 23.565 -13.192 -1.872 1.00 0.00 C ATOM 48 OH TYR A 4 24.459 -14.182 -2.227 1.00 0.00 O ATOM 0 HA TYR A 4 19.390 -8.753 -1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 4 21.290 -9.306 -0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 4 20.019 -10.505 -0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 4 20.293 -12.765 -1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 4 23.416 -9.832 -1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 4 21.900 -14.544 -1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 4 25.022 -11.611 -1.990 1.00 0.00 H new ATOM 0 HH TYR A 4 25.342 -13.786 -2.380 1.00 0.00 H new ATOM 58 N PHE A 5 22.099 -8.212 -2.408 1.00 0.00 N ATOM 59 CA PHE A 5 23.148 -7.584 -3.263 1.00 0.00 C ATOM 60 C PHE A 5 24.490 -7.576 -2.527 1.00 0.00 C ATOM 61 O PHE A 5 24.565 -7.873 -1.352 1.00 0.00 O ATOM 62 CB PHE A 5 22.656 -6.155 -3.506 1.00 0.00 C ATOM 63 CG PHE A 5 21.191 -6.183 -3.875 1.00 0.00 C ATOM 64 CD1 PHE A 5 20.805 -6.476 -5.188 1.00 0.00 C ATOM 65 CD2 PHE A 5 20.220 -5.919 -2.902 1.00 0.00 C ATOM 66 CE1 PHE A 5 19.448 -6.504 -5.529 1.00 0.00 C ATOM 67 CE2 PHE A 5 18.862 -5.947 -3.243 1.00 0.00 C ATOM 68 CZ PHE A 5 18.476 -6.240 -4.556 1.00 0.00 C ATOM 0 H PHE A 5 22.193 -8.037 -1.407 1.00 0.00 H new ATOM 0 HA PHE A 5 23.302 -8.124 -4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 5 22.805 -5.550 -2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 5 23.234 -5.691 -4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 5 21.555 -6.681 -5.938 1.00 0.00 H new ATOM 0 HD2 PHE A 5 20.518 -5.694 -1.889 1.00 0.00 H new ATOM 0 HE1 PHE A 5 19.150 -6.729 -6.542 1.00 0.00 H new ATOM 0 HE2 PHE A 5 18.113 -5.742 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 5 17.429 -6.262 -4.819 1.00 0.00 H new ATOM 78 N THR A 6 25.552 -7.241 -3.208 1.00 0.00 N ATOM 79 CA THR A 6 26.885 -7.219 -2.541 1.00 0.00 C ATOM 80 C THR A 6 27.806 -6.203 -3.219 1.00 0.00 C ATOM 81 O THR A 6 27.852 -6.101 -4.429 1.00 0.00 O ATOM 82 CB THR A 6 27.435 -8.637 -2.709 1.00 0.00 C ATOM 83 OG1 THR A 6 28.778 -8.680 -2.246 1.00 0.00 O ATOM 84 CG2 THR A 6 27.388 -9.033 -4.185 1.00 0.00 C ATOM 0 H THR A 6 25.555 -6.982 -4.195 1.00 0.00 H new ATOM 0 HA THR A 6 26.814 -6.928 -1.493 1.00 0.00 H new ATOM 0 HB THR A 6 26.829 -9.334 -2.130 1.00 0.00 H new ATOM 0 HG1 THR A 6 29.131 -9.588 -2.351 1.00 0.00 H new ATOM 0 HG21 THR A 6 27.780 -10.043 -4.303 1.00 0.00 H new ATOM 0 HG22 THR A 6 26.357 -9.000 -4.538 1.00 0.00 H new ATOM 0 HG23 THR A 6 27.993 -8.338 -4.768 1.00 0.00 H new ATOM 92 N LEU A 7 28.543 -5.452 -2.447 1.00 0.00 N ATOM 93 CA LEU A 7 29.465 -4.444 -3.044 1.00 0.00 C ATOM 94 C LEU A 7 30.902 -4.725 -2.597 1.00 0.00 C ATOM 95 O LEU A 7 31.144 -5.148 -1.485 1.00 0.00 O ATOM 96 CB LEU A 7 28.986 -3.098 -2.501 1.00 0.00 C ATOM 97 CG LEU A 7 28.218 -2.353 -3.594 1.00 0.00 C ATOM 98 CD1 LEU A 7 27.269 -1.339 -2.954 1.00 0.00 C ATOM 99 CD2 LEU A 7 29.209 -1.621 -4.502 1.00 0.00 C ATOM 0 H LEU A 7 28.547 -5.493 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 7 29.458 -4.466 -4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 7 28.346 -3.251 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 7 29.837 -2.503 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 7 27.641 -3.066 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 7 26.723 -0.809 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 7 26.563 -1.859 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 7 27.844 -0.625 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 7 28.664 -1.089 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 7 29.785 -0.908 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 7 29.885 -2.343 -4.960 1.00 0.00 H new ATOM 111 N GLN A 8 31.858 -4.496 -3.455 1.00 0.00 N ATOM 112 CA GLN A 8 33.275 -4.756 -3.073 1.00 0.00 C ATOM 113 C GLN A 8 34.134 -3.515 -3.331 1.00 0.00 C ATOM 114 O GLN A 8 33.933 -2.797 -4.290 1.00 0.00 O ATOM 115 CB GLN A 8 33.721 -5.912 -3.970 1.00 0.00 C ATOM 116 CG GLN A 8 32.747 -7.082 -3.817 1.00 0.00 C ATOM 117 CD GLN A 8 33.534 -8.386 -3.679 1.00 0.00 C ATOM 118 OE1 GLN A 8 33.206 -9.376 -4.303 1.00 0.00 O ATOM 119 NE2 GLN A 8 34.568 -8.429 -2.884 1.00 0.00 N ATOM 0 H GLN A 8 31.720 -4.141 -4.401 1.00 0.00 H new ATOM 0 HA GLN A 8 33.378 -4.996 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 8 33.755 -5.587 -5.010 1.00 0.00 H new ATOM 0 HB3 GLN A 8 34.729 -6.227 -3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 8 32.116 -6.931 -2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 8 32.085 -7.134 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 8 34.843 -7.598 -2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 8 35.101 -9.293 -2.786 1.00 0.00 H new ATOM 128 N ILE A 9 35.091 -3.260 -2.481 1.00 0.00 N ATOM 129 CA ILE A 9 35.965 -2.068 -2.676 1.00 0.00 C ATOM 130 C ILE A 9 37.414 -2.413 -2.322 1.00 0.00 C ATOM 131 O ILE A 9 37.675 -3.193 -1.427 1.00 0.00 O ATOM 132 CB ILE A 9 35.419 -1.012 -1.715 1.00 0.00 C ATOM 133 CG1 ILE A 9 34.010 -0.604 -2.152 1.00 0.00 C ATOM 134 CG2 ILE A 9 36.333 0.214 -1.733 1.00 0.00 C ATOM 135 CD1 ILE A 9 32.976 -1.396 -1.349 1.00 0.00 C ATOM 0 H ILE A 9 35.306 -3.826 -1.660 1.00 0.00 H new ATOM 0 HA ILE A 9 35.962 -1.720 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 9 35.382 -1.423 -0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 9 33.865 0.465 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 9 33.880 -0.792 -3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 9 35.944 0.968 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 9 37.337 -0.076 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 9 36.370 0.625 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 9 31.973 -1.105 -1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 9 33.116 -2.462 -1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 9 33.101 -1.186 -0.287 1.00 0.00 H new ATOM 147 N ARG A 10 38.358 -1.838 -3.015 1.00 0.00 N ATOM 148 CA ARG A 10 39.789 -2.134 -2.714 1.00 0.00 C ATOM 149 C ARG A 10 40.448 -0.926 -2.043 1.00 0.00 C ATOM 150 O ARG A 10 41.654 -0.784 -2.043 1.00 0.00 O ATOM 151 CB ARG A 10 40.431 -2.411 -4.074 1.00 0.00 C ATOM 152 CG ARG A 10 40.390 -1.142 -4.926 1.00 0.00 C ATOM 153 CD ARG A 10 41.510 -1.190 -5.968 1.00 0.00 C ATOM 154 NE ARG A 10 42.610 -0.370 -5.389 1.00 0.00 N ATOM 155 CZ ARG A 10 43.750 -0.270 -6.016 1.00 0.00 C ATOM 156 NH1 ARG A 10 44.023 -1.073 -7.008 1.00 0.00 N ATOM 157 NH2 ARG A 10 44.618 0.634 -5.650 1.00 0.00 N ATOM 0 H ARG A 10 38.202 -1.177 -3.776 1.00 0.00 H new ATOM 0 HA ARG A 10 39.903 -2.977 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 10 41.462 -2.739 -3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 10 39.902 -3.219 -4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 10 39.423 -1.054 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 10 40.505 -0.262 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 10 41.835 -2.214 -6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 10 41.177 -0.786 -6.924 1.00 0.00 H new ATOM 0 HE ARG A 10 42.472 0.114 -4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 10 43.345 -1.779 -7.294 1.00 0.00 H new ATOM 0 HH12 ARG A 10 44.914 -0.994 -7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 10 44.405 1.261 -4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 10 45.509 0.713 -6.140 1.00 0.00 H new ATOM 171 N GLY A 11 39.663 -0.054 -1.471 1.00 0.00 N ATOM 172 CA GLY A 11 40.242 1.144 -0.800 1.00 0.00 C ATOM 173 C GLY A 11 39.696 1.243 0.625 1.00 0.00 C ATOM 174 O GLY A 11 38.505 1.163 0.851 1.00 0.00 O ATOM 0 H GLY A 11 38.646 -0.120 -1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 11 41.330 1.073 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 11 39.991 2.045 -1.360 1.00 0.00 H new ATOM 178 N ARG A 12 40.557 1.415 1.590 1.00 0.00 N ATOM 179 CA ARG A 12 40.086 1.517 3.002 1.00 0.00 C ATOM 180 C ARG A 12 39.485 2.901 3.264 1.00 0.00 C ATOM 181 O ARG A 12 38.550 3.048 4.025 1.00 0.00 O ATOM 182 CB ARG A 12 41.339 1.307 3.852 1.00 0.00 C ATOM 183 CG ARG A 12 40.931 0.915 5.274 1.00 0.00 C ATOM 184 CD ARG A 12 42.111 0.239 5.975 1.00 0.00 C ATOM 185 NE ARG A 12 41.493 -0.625 7.018 1.00 0.00 N ATOM 186 CZ ARG A 12 41.337 -0.172 8.232 1.00 0.00 C ATOM 187 NH1 ARG A 12 42.288 -0.325 9.112 1.00 0.00 N ATOM 188 NH2 ARG A 12 40.231 0.434 8.566 1.00 0.00 N ATOM 0 H ARG A 12 41.566 1.489 1.463 1.00 0.00 H new ATOM 0 HA ARG A 12 39.309 0.787 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 12 41.963 0.528 3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 12 41.935 2.219 3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 12 40.621 1.799 5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 12 40.076 0.240 5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 12 42.702 -0.350 5.274 1.00 0.00 H new ATOM 0 HD3 ARG A 12 42.782 0.975 6.418 1.00 0.00 H new ATOM 0 HE ARG A 12 41.192 -1.571 6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 12 43.153 -0.798 8.851 1.00 0.00 H new ATOM 0 HH12 ARG A 12 42.167 0.029 10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 12 39.487 0.554 7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 12 40.110 0.788 9.515 1.00 0.00 H new ATOM 202 N GLU A 13 40.017 3.916 2.641 1.00 0.00 N ATOM 203 CA GLU A 13 39.479 5.290 2.856 1.00 0.00 C ATOM 204 C GLU A 13 38.013 5.368 2.418 1.00 0.00 C ATOM 205 O GLU A 13 37.214 6.063 3.013 1.00 0.00 O ATOM 206 CB GLU A 13 40.343 6.192 1.976 1.00 0.00 C ATOM 207 CG GLU A 13 41.555 6.679 2.772 1.00 0.00 C ATOM 208 CD GLU A 13 42.294 7.752 1.971 1.00 0.00 C ATOM 209 OE1 GLU A 13 41.633 8.498 1.266 1.00 0.00 O ATOM 210 OE2 GLU A 13 43.508 7.811 2.075 1.00 0.00 O ATOM 0 H GLU A 13 40.801 3.854 1.992 1.00 0.00 H new ATOM 0 HA GLU A 13 39.511 5.582 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 13 40.672 5.647 1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 13 39.759 7.043 1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 13 41.234 7.083 3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 13 42.223 5.844 2.985 1.00 0.00 H new ATOM 217 N ARG A 14 37.654 4.658 1.384 1.00 0.00 N ATOM 218 CA ARG A 14 36.244 4.690 0.912 1.00 0.00 C ATOM 219 C ARG A 14 35.407 3.716 1.735 1.00 0.00 C ATOM 220 O ARG A 14 34.314 4.027 2.168 1.00 0.00 O ATOM 221 CB ARG A 14 36.302 4.242 -0.550 1.00 0.00 C ATOM 222 CG ARG A 14 37.460 4.948 -1.259 1.00 0.00 C ATOM 223 CD ARG A 14 38.518 3.918 -1.661 1.00 0.00 C ATOM 224 NE ARG A 14 38.501 3.910 -3.151 1.00 0.00 N ATOM 225 CZ ARG A 14 37.941 2.920 -3.792 1.00 0.00 C ATOM 226 NH1 ARG A 14 36.667 2.683 -3.640 1.00 0.00 N ATOM 227 NH2 ARG A 14 38.654 2.169 -4.586 1.00 0.00 N ATOM 0 H ARG A 14 38.278 4.057 0.846 1.00 0.00 H new ATOM 0 HA ARG A 14 35.791 5.676 1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 14 36.434 3.161 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 14 35.361 4.474 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 14 37.094 5.472 -2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 14 37.899 5.698 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 14 39.501 4.192 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 14 38.283 2.933 -1.258 1.00 0.00 H new ATOM 0 HE ARG A 14 38.927 4.678 -3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 14 36.109 3.271 -3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 14 36.229 1.910 -4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 14 39.650 2.355 -4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 14 38.216 1.396 -5.086 1.00 0.00 H new ATOM 241 N PHE A 15 35.914 2.534 1.952 1.00 0.00 N ATOM 242 CA PHE A 15 35.148 1.537 2.743 1.00 0.00 C ATOM 243 C PHE A 15 34.631 2.176 4.031 1.00 0.00 C ATOM 244 O PHE A 15 33.458 2.108 4.341 1.00 0.00 O ATOM 245 CB PHE A 15 36.137 0.417 3.062 1.00 0.00 C ATOM 246 CG PHE A 15 35.412 -0.681 3.800 1.00 0.00 C ATOM 247 CD1 PHE A 15 34.556 -1.543 3.105 1.00 0.00 C ATOM 248 CD2 PHE A 15 35.588 -0.832 5.181 1.00 0.00 C ATOM 249 CE1 PHE A 15 33.875 -2.555 3.790 1.00 0.00 C ATOM 250 CE2 PHE A 15 34.908 -1.845 5.866 1.00 0.00 C ATOM 251 CZ PHE A 15 34.051 -2.706 5.170 1.00 0.00 C ATOM 0 H PHE A 15 36.824 2.218 1.616 1.00 0.00 H new ATOM 0 HA PHE A 15 34.282 1.163 2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 15 36.575 0.028 2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 15 36.958 0.800 3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 15 34.421 -1.427 2.040 1.00 0.00 H new ATOM 0 HD2 PHE A 15 36.248 -0.167 5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 15 33.214 -3.220 3.254 1.00 0.00 H new ATOM 0 HE2 PHE A 15 35.044 -1.963 6.931 1.00 0.00 H new ATOM 0 HZ PHE A 15 33.525 -3.487 5.699 1.00 0.00 H new ATOM 261 N GLU A 16 35.497 2.801 4.783 1.00 0.00 N ATOM 262 CA GLU A 16 35.048 3.447 6.048 1.00 0.00 C ATOM 263 C GLU A 16 33.739 4.198 5.805 1.00 0.00 C ATOM 264 O GLU A 16 32.857 4.221 6.642 1.00 0.00 O ATOM 265 CB GLU A 16 36.168 4.420 6.417 1.00 0.00 C ATOM 266 CG GLU A 16 37.279 3.666 7.150 1.00 0.00 C ATOM 267 CD GLU A 16 37.033 3.733 8.658 1.00 0.00 C ATOM 268 OE1 GLU A 16 36.851 4.829 9.161 1.00 0.00 O ATOM 269 OE2 GLU A 16 37.032 2.686 9.285 1.00 0.00 O ATOM 0 H GLU A 16 36.492 2.891 4.576 1.00 0.00 H new ATOM 0 HA GLU A 16 34.863 2.726 6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.566 4.891 5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.777 5.218 7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.306 2.627 6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.249 4.102 6.909 1.00 0.00 H new ATOM 276 N GLN A 17 33.605 4.808 4.658 1.00 0.00 N ATOM 277 CA GLN A 17 32.351 5.555 4.354 1.00 0.00 C ATOM 278 C GLN A 17 31.181 4.579 4.196 1.00 0.00 C ATOM 279 O GLN A 17 30.141 4.739 4.804 1.00 0.00 O ATOM 280 CB GLN A 17 32.631 6.278 3.036 1.00 0.00 C ATOM 281 CG GLN A 17 33.885 7.143 3.184 1.00 0.00 C ATOM 282 CD GLN A 17 33.510 8.618 3.027 1.00 0.00 C ATOM 283 OE1 GLN A 17 32.458 8.938 2.510 1.00 0.00 O ATOM 284 NE2 GLN A 17 34.333 9.537 3.454 1.00 0.00 N ATOM 0 H GLN A 17 34.309 4.821 3.920 1.00 0.00 H new ATOM 0 HA GLN A 17 32.079 6.250 5.149 1.00 0.00 H new ATOM 0 HB2 GLN A 17 32.769 5.553 2.234 1.00 0.00 H new ATOM 0 HB3 GLN A 17 31.778 6.899 2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 17 34.342 6.975 4.159 1.00 0.00 H new ATOM 0 HG3 GLN A 17 34.624 6.863 2.433 1.00 0.00 H new ATOM 0 HE21 GLN A 17 35.216 9.269 3.888 1.00 0.00 H new ATOM 0 HE22 GLN A 17 34.093 10.523 3.354 1.00 0.00 H new ATOM 293 N PHE A 18 31.343 3.570 3.383 1.00 0.00 N ATOM 294 CA PHE A 18 30.239 2.584 3.186 1.00 0.00 C ATOM 295 C PHE A 18 29.972 1.817 4.485 1.00 0.00 C ATOM 296 O PHE A 18 28.875 1.837 5.008 1.00 0.00 O ATOM 297 CB PHE A 18 30.744 1.645 2.092 1.00 0.00 C ATOM 298 CG PHE A 18 30.999 2.446 0.838 1.00 0.00 C ATOM 299 CD1 PHE A 18 29.935 2.775 -0.011 1.00 0.00 C ATOM 300 CD2 PHE A 18 32.297 2.868 0.530 1.00 0.00 C ATOM 301 CE1 PHE A 18 30.171 3.525 -1.169 1.00 0.00 C ATOM 302 CE2 PHE A 18 32.532 3.620 -0.627 1.00 0.00 C ATOM 303 CZ PHE A 18 31.470 3.948 -1.476 1.00 0.00 C ATOM 0 H PHE A 18 32.191 3.385 2.847 1.00 0.00 H new ATOM 0 HA PHE A 18 29.299 3.062 2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 18 31.659 1.149 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 18 30.009 0.864 1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 18 28.933 2.450 0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 18 33.117 2.614 1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 18 29.351 3.777 -1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 18 33.534 3.947 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 18 31.652 4.528 -2.369 1.00 0.00 H new ATOM 313 N ARG A 19 30.962 1.146 5.015 1.00 0.00 N ATOM 314 CA ARG A 19 30.750 0.391 6.284 1.00 0.00 C ATOM 315 C ARG A 19 29.932 1.237 7.264 1.00 0.00 C ATOM 316 O ARG A 19 28.811 0.906 7.604 1.00 0.00 O ATOM 317 CB ARG A 19 32.154 0.137 6.833 1.00 0.00 C ATOM 318 CG ARG A 19 32.066 -0.766 8.065 1.00 0.00 C ATOM 319 CD ARG A 19 31.947 -2.226 7.622 1.00 0.00 C ATOM 320 NE ARG A 19 31.467 -2.955 8.828 1.00 0.00 N ATOM 321 CZ ARG A 19 32.285 -3.720 9.497 1.00 0.00 C ATOM 322 NH1 ARG A 19 33.072 -4.546 8.863 1.00 0.00 N ATOM 323 NH2 ARG A 19 32.316 -3.661 10.801 1.00 0.00 N ATOM 0 H ARG A 19 31.903 1.089 4.626 1.00 0.00 H new ATOM 0 HA ARG A 19 30.202 -0.538 6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 19 32.775 -0.332 6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.630 1.082 7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.950 -0.635 8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 19 31.204 -0.488 8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 19 31.248 -2.331 6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 19 32.907 -2.615 7.281 1.00 0.00 H new ATOM 0 HE ARG A 19 30.498 -2.856 9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 19 33.047 -4.593 7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 19 33.712 -5.144 9.386 1.00 0.00 H new ATOM 0 HH21 ARG A 19 31.700 -3.017 11.297 1.00 0.00 H new ATOM 0 HH22 ARG A 19 32.956 -4.259 11.324 1.00 0.00 H new ATOM 337 N GLU A 20 30.479 2.335 7.714 1.00 0.00 N ATOM 338 CA GLU A 20 29.724 3.203 8.661 1.00 0.00 C ATOM 339 C GLU A 20 28.323 3.464 8.107 1.00 0.00 C ATOM 340 O GLU A 20 27.340 3.401 8.818 1.00 0.00 O ATOM 341 CB GLU A 20 30.526 4.503 8.737 1.00 0.00 C ATOM 342 CG GLU A 20 31.722 4.313 9.672 1.00 0.00 C ATOM 343 CD GLU A 20 31.817 5.502 10.630 1.00 0.00 C ATOM 344 OE1 GLU A 20 30.780 5.950 11.091 1.00 0.00 O ATOM 345 OE2 GLU A 20 32.924 5.944 10.887 1.00 0.00 O ATOM 0 H GLU A 20 31.412 2.666 7.468 1.00 0.00 H new ATOM 0 HA GLU A 20 29.605 2.748 9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 20 30.870 4.789 7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 20 29.893 5.312 9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 20 31.612 3.387 10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 20 32.640 4.226 9.091 1.00 0.00 H new ATOM 352 N ARG A 21 28.225 3.747 6.836 1.00 0.00 N ATOM 353 CA ARG A 21 26.887 4.000 6.232 1.00 0.00 C ATOM 354 C ARG A 21 26.043 2.726 6.304 1.00 0.00 C ATOM 355 O ARG A 21 24.871 2.762 6.622 1.00 0.00 O ATOM 356 CB ARG A 21 27.171 4.379 4.778 1.00 0.00 C ATOM 357 CG ARG A 21 25.875 4.841 4.108 1.00 0.00 C ATOM 358 CD ARG A 21 25.998 6.316 3.719 1.00 0.00 C ATOM 359 NE ARG A 21 24.675 6.670 3.135 1.00 0.00 N ATOM 360 CZ ARG A 21 24.304 7.919 3.071 1.00 0.00 C ATOM 361 NH1 ARG A 21 23.649 8.457 4.063 1.00 0.00 N ATOM 362 NH2 ARG A 21 24.587 8.631 2.015 1.00 0.00 N ATOM 0 H ARG A 21 29.013 3.814 6.191 1.00 0.00 H new ATOM 0 HA ARG A 21 26.334 4.784 6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 21 27.917 5.173 4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 21 27.585 3.525 4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 21 25.675 4.236 3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 21 25.033 4.702 4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 21 26.225 6.936 4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 21 26.802 6.469 2.999 1.00 0.00 H new ATOM 0 HE ARG A 21 24.059 5.936 2.785 1.00 0.00 H new ATOM 0 HH11 ARG A 21 23.427 7.901 4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 21 23.359 9.434 4.013 1.00 0.00 H new ATOM 0 HH21 ARG A 21 25.099 8.211 1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 21 24.297 9.608 1.966 1.00 0.00 H new ATOM 376 N ASN A 22 26.636 1.597 6.021 1.00 0.00 N ATOM 377 CA ASN A 22 25.870 0.321 6.087 1.00 0.00 C ATOM 378 C ASN A 22 25.055 0.283 7.379 1.00 0.00 C ATOM 379 O ASN A 22 23.889 -0.058 7.382 1.00 0.00 O ATOM 380 CB ASN A 22 26.931 -0.781 6.088 1.00 0.00 C ATOM 381 CG ASN A 22 26.249 -2.150 6.064 1.00 0.00 C ATOM 382 OD1 ASN A 22 25.129 -2.275 5.611 1.00 0.00 O ATOM 383 ND2 ASN A 22 26.882 -3.189 6.536 1.00 0.00 N ATOM 0 H ASN A 22 27.614 1.504 5.748 1.00 0.00 H new ATOM 0 HA ASN A 22 25.172 0.206 5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 22 27.583 -0.673 5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 22 27.561 -0.693 6.973 1.00 0.00 H new ATOM 0 HD21 ASN A 22 26.436 -4.106 6.525 1.00 0.00 H new ATOM 0 HD22 ASN A 22 27.823 -3.084 6.916 1.00 0.00 H new ATOM 390 N GLU A 23 25.662 0.643 8.476 1.00 0.00 N ATOM 391 CA GLU A 23 24.923 0.640 9.770 1.00 0.00 C ATOM 392 C GLU A 23 23.826 1.709 9.744 1.00 0.00 C ATOM 393 O GLU A 23 22.693 1.467 10.120 1.00 0.00 O ATOM 394 CB GLU A 23 25.977 0.976 10.827 1.00 0.00 C ATOM 395 CG GLU A 23 25.290 1.249 12.166 1.00 0.00 C ATOM 396 CD GLU A 23 26.074 0.571 13.292 1.00 0.00 C ATOM 397 OE1 GLU A 23 27.168 0.100 13.025 1.00 0.00 O ATOM 398 OE2 GLU A 23 25.568 0.535 14.401 1.00 0.00 O ATOM 0 H GLU A 23 26.637 0.939 8.533 1.00 0.00 H new ATOM 0 HA GLU A 23 24.437 -0.314 9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 23 26.681 0.150 10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 23 26.552 1.848 10.517 1.00 0.00 H new ATOM 0 HG2 GLU A 23 25.232 2.323 12.345 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.267 0.874 12.145 1.00 0.00 H new ATOM 405 N ALA A 24 24.153 2.891 9.294 1.00 0.00 N ATOM 406 CA ALA A 24 23.133 3.976 9.237 1.00 0.00 C ATOM 407 C ALA A 24 22.003 3.581 8.285 1.00 0.00 C ATOM 408 O ALA A 24 20.847 3.548 8.657 1.00 0.00 O ATOM 409 CB ALA A 24 23.883 5.198 8.705 1.00 0.00 C ATOM 0 H ALA A 24 25.082 3.151 8.964 1.00 0.00 H new ATOM 0 HA ALA A 24 22.679 4.171 10.208 1.00 0.00 H new ATOM 0 HB1 ALA A 24 23.198 6.043 8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 24 24.698 5.448 9.384 1.00 0.00 H new ATOM 0 HB3 ALA A 24 24.288 4.975 7.718 1.00 0.00 H new ATOM 415 N LEU A 25 22.330 3.275 7.060 1.00 0.00 N ATOM 416 CA LEU A 25 21.274 2.877 6.088 1.00 0.00 C ATOM 417 C LEU A 25 20.537 1.638 6.602 1.00 0.00 C ATOM 418 O LEU A 25 19.332 1.525 6.483 1.00 0.00 O ATOM 419 CB LEU A 25 22.023 2.564 4.794 1.00 0.00 C ATOM 420 CG LEU A 25 21.387 3.337 3.639 1.00 0.00 C ATOM 421 CD1 LEU A 25 19.893 3.017 3.574 1.00 0.00 C ATOM 422 CD2 LEU A 25 21.577 4.839 3.867 1.00 0.00 C ATOM 0 H LEU A 25 23.281 3.283 6.691 1.00 0.00 H new ATOM 0 HA LEU A 25 20.526 3.656 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 25 23.074 2.837 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 25 21.990 1.493 4.592 1.00 0.00 H new ATOM 0 HG LEU A 25 21.862 3.048 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.438 3.568 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.757 1.947 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.418 3.307 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.124 5.392 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 25 21.101 5.128 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 25 22.642 5.068 3.915 1.00 0.00 H new ATOM 434 N GLU A 26 21.250 0.711 7.181 1.00 0.00 N ATOM 435 CA GLU A 26 20.583 -0.512 7.710 1.00 0.00 C ATOM 436 C GLU A 26 19.413 -0.107 8.608 1.00 0.00 C ATOM 437 O GLU A 26 18.360 -0.713 8.586 1.00 0.00 O ATOM 438 CB GLU A 26 21.661 -1.235 8.519 1.00 0.00 C ATOM 439 CG GLU A 26 21.032 -2.406 9.277 1.00 0.00 C ATOM 440 CD GLU A 26 22.134 -3.260 9.905 1.00 0.00 C ATOM 441 OE1 GLU A 26 23.243 -2.765 10.029 1.00 0.00 O ATOM 442 OE2 GLU A 26 21.852 -4.395 10.253 1.00 0.00 O ATOM 0 H GLU A 26 22.261 0.747 7.310 1.00 0.00 H new ATOM 0 HA GLU A 26 20.181 -1.147 6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.446 -1.597 7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.129 -0.544 9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.361 -2.033 10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 26 20.431 -3.011 8.598 1.00 0.00 H new ATOM 449 N LEU A 27 19.590 0.920 9.395 1.00 0.00 N ATOM 450 CA LEU A 27 18.486 1.372 10.291 1.00 0.00 C ATOM 451 C LEU A 27 17.405 2.089 9.474 1.00 0.00 C ATOM 452 O LEU A 27 16.230 2.002 9.771 1.00 0.00 O ATOM 453 CB LEU A 27 19.145 2.339 11.275 1.00 0.00 C ATOM 454 CG LEU A 27 19.257 1.672 12.647 1.00 0.00 C ATOM 455 CD1 LEU A 27 20.299 2.409 13.490 1.00 0.00 C ATOM 456 CD2 LEU A 27 17.899 1.729 13.352 1.00 0.00 C ATOM 0 H LEU A 27 20.450 1.465 9.456 1.00 0.00 H new ATOM 0 HA LEU A 27 18.000 0.541 10.802 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.134 2.623 10.915 1.00 0.00 H new ATOM 0 HB3 LEU A 27 18.558 3.254 11.350 1.00 0.00 H new ATOM 0 HG LEU A 27 19.561 0.633 12.522 1.00 0.00 H new ATOM 0 HD11 LEU A 27 20.379 1.933 14.468 1.00 0.00 H new ATOM 0 HD12 LEU A 27 21.266 2.371 12.988 1.00 0.00 H new ATOM 0 HD13 LEU A 27 19.996 3.448 13.616 1.00 0.00 H new ATOM 0 HD21 LEU A 27 17.977 1.254 14.330 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.597 2.769 13.476 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.155 1.205 12.752 1.00 0.00 H new ATOM 468 N LYS A 28 17.794 2.796 8.446 1.00 0.00 N ATOM 469 CA LYS A 28 16.789 3.516 7.611 1.00 0.00 C ATOM 470 C LYS A 28 15.695 2.547 7.154 1.00 0.00 C ATOM 471 O LYS A 28 14.519 2.797 7.325 1.00 0.00 O ATOM 472 CB LYS A 28 17.581 4.046 6.411 1.00 0.00 C ATOM 473 CG LYS A 28 16.625 4.379 5.261 1.00 0.00 C ATOM 474 CD LYS A 28 15.463 5.223 5.788 1.00 0.00 C ATOM 475 CE LYS A 28 15.261 6.438 4.880 1.00 0.00 C ATOM 476 NZ LYS A 28 14.194 7.239 5.542 1.00 0.00 N ATOM 0 H LYS A 28 18.764 2.906 8.149 1.00 0.00 H new ATOM 0 HA LYS A 28 16.292 4.319 8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.142 4.935 6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.308 3.302 6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.156 4.921 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.246 3.461 4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.552 4.626 5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.669 5.548 6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.181 7.013 4.779 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.963 6.136 3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.999 8.091 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.328 6.668 5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.509 7.518 6.493 1.00 0.00 H new ATOM 490 N ASP A 29 16.075 1.441 6.573 1.00 0.00 N ATOM 491 CA ASP A 29 15.055 0.458 6.106 1.00 0.00 C ATOM 492 C ASP A 29 14.491 -0.324 7.295 1.00 0.00 C ATOM 493 O ASP A 29 13.300 -0.335 7.534 1.00 0.00 O ATOM 494 CB ASP A 29 15.810 -0.476 5.159 1.00 0.00 C ATOM 495 CG ASP A 29 15.079 -0.541 3.817 1.00 0.00 C ATOM 496 OD1 ASP A 29 14.811 0.510 3.259 1.00 0.00 O ATOM 497 OD2 ASP A 29 14.798 -1.642 3.370 1.00 0.00 O ATOM 0 H ASP A 29 17.045 1.176 6.402 1.00 0.00 H new ATOM 0 HA ASP A 29 14.210 0.941 5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.829 -0.117 5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.882 -1.473 5.595 1.00 0.00 H new ATOM 502 N ALA A 30 15.338 -0.979 8.042 1.00 0.00 N ATOM 503 CA ALA A 30 14.850 -1.761 9.216 1.00 0.00 C ATOM 504 C ALA A 30 13.784 -0.968 9.977 1.00 0.00 C ATOM 505 O ALA A 30 12.926 -1.530 10.629 1.00 0.00 O ATOM 506 CB ALA A 30 16.087 -1.973 10.090 1.00 0.00 C ATOM 0 H ALA A 30 16.346 -1.007 7.891 1.00 0.00 H new ATOM 0 HA ALA A 30 14.391 -2.705 8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 30 15.812 -2.543 10.978 1.00 0.00 H new ATOM 0 HB2 ALA A 30 16.841 -2.522 9.526 1.00 0.00 H new ATOM 0 HB3 ALA A 30 16.491 -1.006 10.390 1.00 0.00 H new ATOM 512 N GLN A 31 13.831 0.334 9.901 1.00 0.00 N ATOM 513 CA GLN A 31 12.819 1.161 10.621 1.00 0.00 C ATOM 514 C GLN A 31 12.009 1.993 9.624 1.00 0.00 C ATOM 515 O GLN A 31 12.526 2.884 8.980 1.00 0.00 O ATOM 516 CB GLN A 31 13.634 2.070 11.541 1.00 0.00 C ATOM 517 CG GLN A 31 13.407 1.659 12.997 1.00 0.00 C ATOM 518 CD GLN A 31 13.214 2.910 13.857 1.00 0.00 C ATOM 519 OE1 GLN A 31 13.748 3.958 13.553 1.00 0.00 O ATOM 520 NE2 GLN A 31 12.468 2.843 14.926 1.00 0.00 N ATOM 0 H GLN A 31 14.526 0.861 9.372 1.00 0.00 H new ATOM 0 HA GLN A 31 12.107 0.551 11.177 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.693 2.000 11.293 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.340 3.110 11.396 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.531 1.015 13.072 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.258 1.083 13.360 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.020 1.963 15.181 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.333 3.671 15.507 1.00 0.00 H new ATOM 606 N TYR B 4 41.593 -6.072 0.208 1.00 0.00 N ATOM 607 CA TYR B 4 40.454 -5.139 -0.032 1.00 0.00 C ATOM 608 C TYR B 4 39.322 -5.423 0.958 1.00 0.00 C ATOM 609 O TYR B 4 39.534 -5.983 2.016 1.00 0.00 O ATOM 610 CB TYR B 4 39.999 -5.428 -1.463 1.00 0.00 C ATOM 611 CG TYR B 4 39.615 -6.883 -1.586 1.00 0.00 C ATOM 612 CD1 TYR B 4 40.579 -7.834 -1.942 1.00 0.00 C ATOM 613 CD2 TYR B 4 38.294 -7.281 -1.345 1.00 0.00 C ATOM 614 CE1 TYR B 4 40.222 -9.183 -2.056 1.00 0.00 C ATOM 615 CE2 TYR B 4 37.938 -8.630 -1.459 1.00 0.00 C ATOM 616 CZ TYR B 4 38.902 -9.581 -1.815 1.00 0.00 C ATOM 617 OH TYR B 4 38.551 -10.911 -1.929 1.00 0.00 O ATOM 0 HA TYR B 4 40.740 -4.096 0.102 1.00 0.00 H new ATOM 0 HB2 TYR B 4 39.151 -4.794 -1.721 1.00 0.00 H new ATOM 0 HB3 TYR B 4 40.799 -5.192 -2.165 1.00 0.00 H new ATOM 0 HD1 TYR B 4 41.598 -7.527 -2.129 1.00 0.00 H new ATOM 0 HD2 TYR B 4 37.550 -6.547 -1.071 1.00 0.00 H new ATOM 0 HE1 TYR B 4 40.966 -9.917 -2.330 1.00 0.00 H new ATOM 0 HE2 TYR B 4 36.920 -8.937 -1.272 1.00 0.00 H new ATOM 0 HH TYR B 4 37.598 -11.016 -1.727 1.00 0.00 H new ATOM 627 N PHE B 5 38.120 -5.041 0.624 1.00 0.00 N ATOM 628 CA PHE B 5 36.974 -5.289 1.545 1.00 0.00 C ATOM 629 C PHE B 5 35.707 -5.585 0.737 1.00 0.00 C ATOM 630 O PHE B 5 35.677 -5.428 -0.467 1.00 0.00 O ATOM 631 CB PHE B 5 36.817 -3.992 2.341 1.00 0.00 C ATOM 632 CG PHE B 5 38.173 -3.524 2.814 1.00 0.00 C ATOM 633 CD1 PHE B 5 38.746 -4.086 3.960 1.00 0.00 C ATOM 634 CD2 PHE B 5 38.857 -2.530 2.104 1.00 0.00 C ATOM 635 CE1 PHE B 5 40.005 -3.653 4.397 1.00 0.00 C ATOM 636 CE2 PHE B 5 40.115 -2.098 2.540 1.00 0.00 C ATOM 637 CZ PHE B 5 40.689 -2.660 3.687 1.00 0.00 C ATOM 0 H PHE B 5 37.881 -4.568 -0.247 1.00 0.00 H new ATOM 0 HA PHE B 5 37.142 -6.146 2.197 1.00 0.00 H new ATOM 0 HB2 PHE B 5 36.352 -3.226 1.720 1.00 0.00 H new ATOM 0 HB3 PHE B 5 36.158 -4.154 3.194 1.00 0.00 H new ATOM 0 HD1 PHE B 5 38.218 -4.853 4.507 1.00 0.00 H new ATOM 0 HD2 PHE B 5 38.414 -2.096 1.220 1.00 0.00 H new ATOM 0 HE1 PHE B 5 40.448 -4.086 5.282 1.00 0.00 H new ATOM 0 HE2 PHE B 5 40.643 -1.331 1.992 1.00 0.00 H new ATOM 0 HZ PHE B 5 41.660 -2.327 4.024 1.00 0.00 H new ATOM 647 N THR B 6 34.660 -6.015 1.388 1.00 0.00 N ATOM 648 CA THR B 6 33.401 -6.321 0.650 1.00 0.00 C ATOM 649 C THR B 6 32.186 -6.127 1.562 1.00 0.00 C ATOM 650 O THR B 6 32.196 -6.508 2.716 1.00 0.00 O ATOM 651 CB THR B 6 33.532 -7.788 0.238 1.00 0.00 C ATOM 652 OG1 THR B 6 32.310 -8.227 -0.340 1.00 0.00 O ATOM 653 CG2 THR B 6 33.853 -8.639 1.467 1.00 0.00 C ATOM 0 H THR B 6 34.622 -6.167 2.396 1.00 0.00 H new ATOM 0 HA THR B 6 33.258 -5.665 -0.209 1.00 0.00 H new ATOM 0 HB THR B 6 34.336 -7.890 -0.491 1.00 0.00 H new ATOM 0 HG1 THR B 6 32.393 -9.167 -0.606 1.00 0.00 H new ATOM 0 HG21 THR B 6 33.946 -9.684 1.172 1.00 0.00 H new ATOM 0 HG22 THR B 6 34.791 -8.302 1.908 1.00 0.00 H new ATOM 0 HG23 THR B 6 33.051 -8.539 2.199 1.00 0.00 H new ATOM 661 N LEU B 7 31.138 -5.540 1.051 1.00 0.00 N ATOM 662 CA LEU B 7 29.920 -5.323 1.884 1.00 0.00 C ATOM 663 C LEU B 7 28.713 -6.003 1.232 1.00 0.00 C ATOM 664 O LEU B 7 28.590 -6.042 0.024 1.00 0.00 O ATOM 665 CB LEU B 7 29.727 -3.807 1.920 1.00 0.00 C ATOM 666 CG LEU B 7 30.180 -3.266 3.277 1.00 0.00 C ATOM 667 CD1 LEU B 7 30.545 -1.787 3.143 1.00 0.00 C ATOM 668 CD2 LEU B 7 29.045 -3.420 4.291 1.00 0.00 C ATOM 0 H LEU B 7 31.072 -5.201 0.091 1.00 0.00 H new ATOM 0 HA LEU B 7 30.022 -5.742 2.885 1.00 0.00 H new ATOM 0 HB2 LEU B 7 30.300 -3.338 1.120 1.00 0.00 H new ATOM 0 HB3 LEU B 7 28.679 -3.559 1.749 1.00 0.00 H new ATOM 0 HG LEU B 7 31.052 -3.825 3.617 1.00 0.00 H new ATOM 0 HD11 LEU B 7 30.868 -1.403 4.111 1.00 0.00 H new ATOM 0 HD12 LEU B 7 31.354 -1.676 2.421 1.00 0.00 H new ATOM 0 HD13 LEU B 7 29.674 -1.227 2.802 1.00 0.00 H new ATOM 0 HD21 LEU B 7 29.367 -3.035 5.259 1.00 0.00 H new ATOM 0 HD22 LEU B 7 28.174 -2.861 3.949 1.00 0.00 H new ATOM 0 HD23 LEU B 7 28.785 -4.474 4.388 1.00 0.00 H new ATOM 680 N GLN B 8 27.822 -6.541 2.019 1.00 0.00 N ATOM 681 CA GLN B 8 26.628 -7.218 1.436 1.00 0.00 C ATOM 682 C GLN B 8 25.342 -6.655 2.047 1.00 0.00 C ATOM 683 O GLN B 8 25.288 -6.334 3.218 1.00 0.00 O ATOM 684 CB GLN B 8 26.792 -8.693 1.802 1.00 0.00 C ATOM 685 CG GLN B 8 28.162 -9.189 1.334 1.00 0.00 C ATOM 686 CD GLN B 8 28.006 -10.550 0.654 1.00 0.00 C ATOM 687 OE1 GLN B 8 28.771 -11.460 0.907 1.00 0.00 O ATOM 688 NE2 GLN B 8 27.040 -10.730 -0.204 1.00 0.00 N ATOM 0 H GLN B 8 27.868 -6.541 3.038 1.00 0.00 H new ATOM 0 HA GLN B 8 26.557 -7.068 0.359 1.00 0.00 H new ATOM 0 HB2 GLN B 8 26.696 -8.824 2.880 1.00 0.00 H new ATOM 0 HB3 GLN B 8 26.002 -9.283 1.337 1.00 0.00 H new ATOM 0 HG2 GLN B 8 28.603 -8.473 0.641 1.00 0.00 H new ATOM 0 HG3 GLN B 8 28.841 -9.270 2.183 1.00 0.00 H new ATOM 0 HE21 GLN B 8 26.398 -9.967 -0.417 1.00 0.00 H new ATOM 0 HE22 GLN B 8 26.927 -11.634 -0.662 1.00 0.00 H new ATOM 697 N ILE B 9 24.306 -6.536 1.262 1.00 0.00 N ATOM 698 CA ILE B 9 23.022 -5.997 1.796 1.00 0.00 C ATOM 699 C ILE B 9 21.841 -6.768 1.201 1.00 0.00 C ATOM 700 O ILE B 9 21.871 -7.185 0.060 1.00 0.00 O ATOM 701 CB ILE B 9 22.985 -4.536 1.348 1.00 0.00 C ATOM 702 CG1 ILE B 9 24.117 -3.765 2.031 1.00 0.00 C ATOM 703 CG2 ILE B 9 21.641 -3.917 1.736 1.00 0.00 C ATOM 704 CD1 ILE B 9 25.319 -3.682 1.089 1.00 0.00 C ATOM 0 H ILE B 9 24.293 -6.789 0.274 1.00 0.00 H new ATOM 0 HA ILE B 9 22.954 -6.092 2.880 1.00 0.00 H new ATOM 0 HB ILE B 9 23.110 -4.484 0.266 1.00 0.00 H new ATOM 0 HG12 ILE B 9 23.780 -2.763 2.297 1.00 0.00 H new ATOM 0 HG13 ILE B 9 24.402 -4.262 2.958 1.00 0.00 H new ATOM 0 HG21 ILE B 9 21.615 -2.875 1.417 1.00 0.00 H new ATOM 0 HG22 ILE B 9 20.834 -4.466 1.251 1.00 0.00 H new ATOM 0 HG23 ILE B 9 21.516 -3.968 2.818 1.00 0.00 H new ATOM 0 HD11 ILE B 9 26.125 -3.133 1.575 1.00 0.00 H new ATOM 0 HD12 ILE B 9 25.661 -4.688 0.845 1.00 0.00 H new ATOM 0 HD13 ILE B 9 25.029 -3.166 0.174 1.00 0.00 H new ATOM 716 N ARG B 10 20.800 -6.961 1.964 1.00 0.00 N ATOM 717 CA ARG B 10 19.618 -7.703 1.438 1.00 0.00 C ATOM 718 C ARG B 10 18.454 -6.739 1.196 1.00 0.00 C ATOM 719 O ARG B 10 17.308 -7.138 1.130 1.00 0.00 O ATOM 720 CB ARG B 10 19.264 -8.711 2.533 1.00 0.00 C ATOM 721 CG ARG B 10 18.817 -7.963 3.790 1.00 0.00 C ATOM 722 CD ARG B 10 17.910 -8.869 4.627 1.00 0.00 C ATOM 723 NE ARG B 10 16.524 -8.445 4.285 1.00 0.00 N ATOM 724 CZ ARG B 10 15.503 -9.081 4.792 1.00 0.00 C ATOM 725 NH1 ARG B 10 15.678 -10.227 5.390 1.00 0.00 N ATOM 726 NH2 ARG B 10 14.306 -8.568 4.701 1.00 0.00 N ATOM 0 H ARG B 10 20.716 -6.638 2.928 1.00 0.00 H new ATOM 0 HA ARG B 10 19.826 -8.193 0.487 1.00 0.00 H new ATOM 0 HB2 ARG B 10 18.469 -9.373 2.189 1.00 0.00 H new ATOM 0 HB3 ARG B 10 20.127 -9.338 2.758 1.00 0.00 H new ATOM 0 HG2 ARG B 10 19.686 -7.660 4.374 1.00 0.00 H new ATOM 0 HG3 ARG B 10 18.285 -7.052 3.515 1.00 0.00 H new ATOM 0 HD2 ARG B 10 18.072 -9.920 4.388 1.00 0.00 H new ATOM 0 HD3 ARG B 10 18.108 -8.751 5.692 1.00 0.00 H new ATOM 0 HE ARG B 10 16.372 -7.658 3.655 1.00 0.00 H new ATOM 0 HH11 ARG B 10 16.613 -10.627 5.462 1.00 0.00 H new ATOM 0 HH12 ARG B 10 14.879 -10.723 5.786 1.00 0.00 H new ATOM 0 HH21 ARG B 10 14.170 -7.671 4.234 1.00 0.00 H new ATOM 0 HH22 ARG B 10 13.507 -9.064 5.097 1.00 0.00 H new ATOM 740 N GLY B 11 18.739 -5.473 1.063 1.00 0.00 N ATOM 741 CA GLY B 11 17.650 -4.483 0.825 1.00 0.00 C ATOM 742 C GLY B 11 17.986 -3.643 -0.408 1.00 0.00 C ATOM 743 O GLY B 11 19.072 -3.113 -0.533 1.00 0.00 O ATOM 0 H GLY B 11 19.679 -5.081 1.109 1.00 0.00 H new ATOM 0 HA2 GLY B 11 16.701 -4.998 0.680 1.00 0.00 H new ATOM 0 HA3 GLY B 11 17.533 -3.839 1.696 1.00 0.00 H new ATOM 747 N ARG B 12 17.063 -3.518 -1.322 1.00 0.00 N ATOM 748 CA ARG B 12 17.333 -2.711 -2.547 1.00 0.00 C ATOM 749 C ARG B 12 17.252 -1.217 -2.225 1.00 0.00 C ATOM 750 O ARG B 12 17.973 -0.412 -2.781 1.00 0.00 O ATOM 751 CB ARG B 12 16.233 -3.107 -3.533 1.00 0.00 C ATOM 752 CG ARG B 12 16.660 -2.731 -4.953 1.00 0.00 C ATOM 753 CD ARG B 12 15.839 -3.536 -5.963 1.00 0.00 C ATOM 754 NE ARG B 12 16.688 -3.599 -7.185 1.00 0.00 N ATOM 755 CZ ARG B 12 16.536 -2.714 -8.132 1.00 0.00 C ATOM 756 NH1 ARG B 12 15.679 -2.927 -9.092 1.00 0.00 N ATOM 757 NH2 ARG B 12 17.242 -1.617 -8.119 1.00 0.00 N ATOM 0 H ARG B 12 16.135 -3.939 -1.274 1.00 0.00 H new ATOM 0 HA ARG B 12 18.328 -2.895 -2.951 1.00 0.00 H new ATOM 0 HB2 ARG B 12 16.043 -4.178 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG B 12 15.301 -2.603 -3.277 1.00 0.00 H new ATOM 0 HG2 ARG B 12 16.513 -1.664 -5.118 1.00 0.00 H new ATOM 0 HG3 ARG B 12 17.723 -2.932 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG B 12 15.616 -4.534 -5.585 1.00 0.00 H new ATOM 0 HD3 ARG B 12 14.884 -3.053 -6.170 1.00 0.00 H new ATOM 0 HE ARG B 12 17.388 -4.334 -7.282 1.00 0.00 H new ATOM 0 HH11 ARG B 12 15.128 -3.785 -9.102 1.00 0.00 H new ATOM 0 HH12 ARG B 12 15.560 -2.235 -9.832 1.00 0.00 H new ATOM 0 HH21 ARG B 12 17.913 -1.451 -7.369 1.00 0.00 H new ATOM 0 HH22 ARG B 12 17.123 -0.925 -8.859 1.00 0.00 H new ATOM 771 N GLU B 13 16.379 -0.839 -1.332 1.00 0.00 N ATOM 772 CA GLU B 13 16.253 0.603 -0.975 1.00 0.00 C ATOM 773 C GLU B 13 17.576 1.125 -0.410 1.00 0.00 C ATOM 774 O GLU B 13 17.959 2.255 -0.642 1.00 0.00 O ATOM 775 CB GLU B 13 15.156 0.653 0.088 1.00 0.00 C ATOM 776 CG GLU B 13 13.797 0.834 -0.590 1.00 0.00 C ATOM 777 CD GLU B 13 12.729 1.105 0.470 1.00 0.00 C ATOM 778 OE1 GLU B 13 13.050 1.748 1.456 1.00 0.00 O ATOM 779 OE2 GLU B 13 11.607 0.664 0.278 1.00 0.00 O ATOM 0 H GLU B 13 15.747 -1.466 -0.834 1.00 0.00 H new ATOM 0 HA GLU B 13 16.011 1.223 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU B 13 15.162 -0.265 0.675 1.00 0.00 H new ATOM 0 HB3 GLU B 13 15.342 1.475 0.779 1.00 0.00 H new ATOM 0 HG2 GLU B 13 13.840 1.662 -1.298 1.00 0.00 H new ATOM 0 HG3 GLU B 13 13.541 -0.060 -1.159 1.00 0.00 H new ATOM 786 N ARG B 14 18.279 0.311 0.329 1.00 0.00 N ATOM 787 CA ARG B 14 19.577 0.762 0.906 1.00 0.00 C ATOM 788 C ARG B 14 20.690 0.623 -0.135 1.00 0.00 C ATOM 789 O ARG B 14 21.493 1.515 -0.323 1.00 0.00 O ATOM 790 CB ARG B 14 19.834 -0.169 2.092 1.00 0.00 C ATOM 791 CG ARG B 14 18.545 -0.339 2.899 1.00 0.00 C ATOM 792 CD ARG B 14 18.065 -1.788 2.794 1.00 0.00 C ATOM 793 NE ARG B 14 18.198 -2.338 4.172 1.00 0.00 N ATOM 794 CZ ARG B 14 19.179 -3.150 4.459 1.00 0.00 C ATOM 795 NH1 ARG B 14 20.414 -2.744 4.353 1.00 0.00 N ATOM 796 NH2 ARG B 14 18.924 -4.368 4.852 1.00 0.00 N ATOM 0 H ARG B 14 18.011 -0.646 0.558 1.00 0.00 H new ATOM 0 HA ARG B 14 19.552 1.808 1.211 1.00 0.00 H new ATOM 0 HB2 ARG B 14 20.184 -1.139 1.737 1.00 0.00 H new ATOM 0 HB3 ARG B 14 20.620 0.241 2.726 1.00 0.00 H new ATOM 0 HG2 ARG B 14 18.719 -0.077 3.943 1.00 0.00 H new ATOM 0 HG3 ARG B 14 17.777 0.338 2.525 1.00 0.00 H new ATOM 0 HD2 ARG B 14 17.033 -1.838 2.447 1.00 0.00 H new ATOM 0 HD3 ARG B 14 18.668 -2.353 2.083 1.00 0.00 H new ATOM 0 HE ARG B 14 17.522 -2.080 4.891 1.00 0.00 H new ATOM 0 HH11 ARG B 14 20.613 -1.792 4.046 1.00 0.00 H new ATOM 0 HH12 ARG B 14 21.180 -3.379 4.577 1.00 0.00 H new ATOM 0 HH21 ARG B 14 17.958 -4.685 4.935 1.00 0.00 H new ATOM 0 HH22 ARG B 14 19.690 -5.003 5.076 1.00 0.00 H new ATOM 810 N PHE B 15 20.742 -0.490 -0.816 1.00 0.00 N ATOM 811 CA PHE B 15 21.803 -0.682 -1.844 1.00 0.00 C ATOM 812 C PHE B 15 21.888 0.548 -2.750 1.00 0.00 C ATOM 813 O PHE B 15 22.944 1.118 -2.938 1.00 0.00 O ATOM 814 CB PHE B 15 21.368 -1.907 -2.646 1.00 0.00 C ATOM 815 CG PHE B 15 22.433 -2.239 -3.663 1.00 0.00 C ATOM 816 CD1 PHE B 15 23.625 -2.848 -3.253 1.00 0.00 C ATOM 817 CD2 PHE B 15 22.230 -1.936 -5.015 1.00 0.00 C ATOM 818 CE1 PHE B 15 24.615 -3.152 -4.194 1.00 0.00 C ATOM 819 CE2 PHE B 15 23.220 -2.241 -5.956 1.00 0.00 C ATOM 820 CZ PHE B 15 24.413 -2.849 -5.546 1.00 0.00 C ATOM 0 H PHE B 15 20.097 -1.272 -0.705 1.00 0.00 H new ATOM 0 HA PHE B 15 22.788 -0.819 -1.397 1.00 0.00 H new ATOM 0 HB2 PHE B 15 21.208 -2.755 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE B 15 20.419 -1.711 -3.146 1.00 0.00 H new ATOM 0 HD1 PHE B 15 23.780 -3.083 -2.210 1.00 0.00 H new ATOM 0 HD2 PHE B 15 21.310 -1.467 -5.331 1.00 0.00 H new ATOM 0 HE1 PHE B 15 25.535 -3.620 -3.877 1.00 0.00 H new ATOM 0 HE2 PHE B 15 23.064 -2.007 -6.999 1.00 0.00 H new ATOM 0 HZ PHE B 15 25.177 -3.084 -6.272 1.00 0.00 H new ATOM 830 N GLU B 16 20.783 0.964 -3.309 1.00 0.00 N ATOM 831 CA GLU B 16 20.805 2.161 -4.199 1.00 0.00 C ATOM 832 C GLU B 16 21.672 3.255 -3.573 1.00 0.00 C ATOM 833 O GLU B 16 22.383 3.965 -4.254 1.00 0.00 O ATOM 834 CB GLU B 16 19.348 2.617 -4.288 1.00 0.00 C ATOM 835 CG GLU B 16 18.615 1.792 -5.348 1.00 0.00 C ATOM 836 CD GLU B 16 18.689 2.512 -6.696 1.00 0.00 C ATOM 837 OE1 GLU B 16 18.337 3.679 -6.742 1.00 0.00 O ATOM 838 OE2 GLU B 16 19.094 1.883 -7.659 1.00 0.00 O ATOM 0 H GLU B 16 19.869 0.528 -3.188 1.00 0.00 H new ATOM 0 HA GLU B 16 21.221 1.942 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU B 16 18.860 2.500 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU B 16 19.303 3.676 -4.542 1.00 0.00 H new ATOM 0 HG2 GLU B 16 19.063 0.802 -5.428 1.00 0.00 H new ATOM 0 HG3 GLU B 16 17.574 1.648 -5.057 1.00 0.00 H new ATOM 845 N GLN B 17 21.618 3.390 -2.276 1.00 0.00 N ATOM 846 CA GLN B 17 22.440 4.432 -1.599 1.00 0.00 C ATOM 847 C GLN B 17 23.925 4.072 -1.691 1.00 0.00 C ATOM 848 O GLN B 17 24.744 4.874 -2.092 1.00 0.00 O ATOM 849 CB GLN B 17 21.974 4.416 -0.143 1.00 0.00 C ATOM 850 CG GLN B 17 20.463 4.649 -0.087 1.00 0.00 C ATOM 851 CD GLN B 17 20.177 5.970 0.630 1.00 0.00 C ATOM 852 OE1 GLN B 17 21.027 6.496 1.321 1.00 0.00 O ATOM 853 NE2 GLN B 17 19.006 6.531 0.495 1.00 0.00 N ATOM 0 H GLN B 17 21.040 2.823 -1.656 1.00 0.00 H new ATOM 0 HA GLN B 17 22.322 5.415 -2.055 1.00 0.00 H new ATOM 0 HB2 GLN B 17 22.222 3.460 0.319 1.00 0.00 H new ATOM 0 HB3 GLN B 17 22.493 5.189 0.424 1.00 0.00 H new ATOM 0 HG2 GLN B 17 20.050 4.674 -1.096 1.00 0.00 H new ATOM 0 HG3 GLN B 17 19.976 3.826 0.436 1.00 0.00 H new ATOM 0 HE21 GLN B 17 18.293 6.089 -0.085 1.00 0.00 H new ATOM 0 HE22 GLN B 17 18.804 7.411 0.970 1.00 0.00 H new ATOM 862 N PHE B 18 24.277 2.870 -1.322 1.00 0.00 N ATOM 863 CA PHE B 18 25.709 2.462 -1.389 1.00 0.00 C ATOM 864 C PHE B 18 26.178 2.412 -2.846 1.00 0.00 C ATOM 865 O PHE B 18 27.123 3.075 -3.223 1.00 0.00 O ATOM 866 CB PHE B 18 25.757 1.072 -0.754 1.00 0.00 C ATOM 867 CG PHE B 18 25.278 1.158 0.675 1.00 0.00 C ATOM 868 CD1 PHE B 18 26.162 1.561 1.682 1.00 0.00 C ATOM 869 CD2 PHE B 18 23.953 0.836 0.993 1.00 0.00 C ATOM 870 CE1 PHE B 18 25.722 1.643 3.008 1.00 0.00 C ATOM 871 CE2 PHE B 18 23.512 0.919 2.321 1.00 0.00 C ATOM 872 CZ PHE B 18 24.398 1.322 3.328 1.00 0.00 C ATOM 0 H PHE B 18 23.636 2.155 -0.978 1.00 0.00 H new ATOM 0 HA PHE B 18 26.364 3.164 -0.873 1.00 0.00 H new ATOM 0 HB2 PHE B 18 25.131 0.380 -1.318 1.00 0.00 H new ATOM 0 HB3 PHE B 18 26.774 0.680 -0.786 1.00 0.00 H new ATOM 0 HD1 PHE B 18 27.184 1.809 1.436 1.00 0.00 H new ATOM 0 HD2 PHE B 18 23.271 0.524 0.216 1.00 0.00 H new ATOM 0 HE1 PHE B 18 26.405 1.954 3.785 1.00 0.00 H new ATOM 0 HE2 PHE B 18 22.490 0.672 2.567 1.00 0.00 H new ATOM 0 HZ PHE B 18 24.059 1.385 4.352 1.00 0.00 H new ATOM 882 N ARG B 19 25.524 1.636 -3.670 1.00 0.00 N ATOM 883 CA ARG B 19 25.939 1.559 -5.100 1.00 0.00 C ATOM 884 C ARG B 19 26.232 2.965 -5.629 1.00 0.00 C ATOM 885 O ARG B 19 27.354 3.290 -5.964 1.00 0.00 O ATOM 886 CB ARG B 19 24.746 0.946 -5.835 1.00 0.00 C ATOM 887 CG ARG B 19 25.121 0.698 -7.298 1.00 0.00 C ATOM 888 CD ARG B 19 25.899 -0.616 -7.411 1.00 0.00 C ATOM 889 NE ARG B 19 26.554 -0.561 -8.747 1.00 0.00 N ATOM 890 CZ ARG B 19 26.102 -1.296 -9.726 1.00 0.00 C ATOM 891 NH1 ARG B 19 25.800 -2.548 -9.516 1.00 0.00 N ATOM 892 NH2 ARG B 19 25.952 -0.780 -10.915 1.00 0.00 N ATOM 0 H ARG B 19 24.725 1.055 -3.416 1.00 0.00 H new ATOM 0 HA ARG B 19 26.843 0.965 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG B 19 24.454 0.010 -5.359 1.00 0.00 H new ATOM 0 HB3 ARG B 19 23.887 1.614 -5.777 1.00 0.00 H new ATOM 0 HG2 ARG B 19 24.222 0.654 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG B 19 25.725 1.524 -7.675 1.00 0.00 H new ATOM 0 HD2 ARG B 19 26.636 -0.708 -6.613 1.00 0.00 H new ATOM 0 HD3 ARG B 19 25.234 -1.476 -7.332 1.00 0.00 H new ATOM 0 HE ARG B 19 27.356 0.051 -8.897 1.00 0.00 H new ATOM 0 HH11 ARG B 19 25.917 -2.952 -8.587 1.00 0.00 H new ATOM 0 HH12 ARG B 19 25.447 -3.123 -10.281 1.00 0.00 H new ATOM 0 HH21 ARG B 19 26.188 0.199 -11.080 1.00 0.00 H new ATOM 0 HH22 ARG B 19 25.599 -1.355 -11.680 1.00 0.00 H new ATOM 906 N GLU B 20 25.235 3.806 -5.694 1.00 0.00 N ATOM 907 CA GLU B 20 25.468 5.191 -6.189 1.00 0.00 C ATOM 908 C GLU B 20 26.660 5.802 -5.451 1.00 0.00 C ATOM 909 O GLU B 20 27.517 6.428 -6.044 1.00 0.00 O ATOM 910 CB GLU B 20 24.183 5.953 -5.863 1.00 0.00 C ATOM 911 CG GLU B 20 23.119 5.629 -6.913 1.00 0.00 C ATOM 912 CD GLU B 20 22.453 6.924 -7.382 1.00 0.00 C ATOM 913 OE1 GLU B 20 23.161 7.903 -7.551 1.00 0.00 O ATOM 914 OE2 GLU B 20 21.247 6.914 -7.565 1.00 0.00 O ATOM 0 H GLU B 20 24.274 3.594 -5.427 1.00 0.00 H new ATOM 0 HA GLU B 20 25.693 5.224 -7.255 1.00 0.00 H new ATOM 0 HB2 GLU B 20 23.826 5.678 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU B 20 24.378 7.025 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU B 20 23.573 5.114 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU B 20 22.372 4.955 -6.493 1.00 0.00 H new ATOM 921 N ARG B 21 26.728 5.614 -4.161 1.00 0.00 N ATOM 922 CA ARG B 21 27.871 6.171 -3.387 1.00 0.00 C ATOM 923 C ARG B 21 29.172 5.507 -3.845 1.00 0.00 C ATOM 924 O ARG B 21 30.187 6.154 -4.010 1.00 0.00 O ATOM 925 CB ARG B 21 27.571 5.826 -1.928 1.00 0.00 C ATOM 926 CG ARG B 21 28.589 6.518 -1.018 1.00 0.00 C ATOM 927 CD ARG B 21 27.870 7.536 -0.129 1.00 0.00 C ATOM 928 NE ARG B 21 28.949 8.177 0.671 1.00 0.00 N ATOM 929 CZ ARG B 21 28.749 9.342 1.223 1.00 0.00 C ATOM 930 NH1 ARG B 21 29.028 10.433 0.563 1.00 0.00 N ATOM 931 NH2 ARG B 21 28.268 9.418 2.434 1.00 0.00 N ATOM 0 H ARG B 21 26.041 5.099 -3.611 1.00 0.00 H new ATOM 0 HA ARG B 21 27.990 7.245 -3.527 1.00 0.00 H new ATOM 0 HB2 ARG B 21 26.561 6.144 -1.669 1.00 0.00 H new ATOM 0 HB3 ARG B 21 27.613 4.747 -1.783 1.00 0.00 H new ATOM 0 HG2 ARG B 21 29.103 5.780 -0.402 1.00 0.00 H new ATOM 0 HG3 ARG B 21 29.350 7.017 -1.619 1.00 0.00 H new ATOM 0 HD2 ARG B 21 27.332 8.271 -0.727 1.00 0.00 H new ATOM 0 HD3 ARG B 21 27.137 7.050 0.515 1.00 0.00 H new ATOM 0 HE ARG B 21 29.846 7.705 0.788 1.00 0.00 H new ATOM 0 HH11 ARG B 21 29.402 10.375 -0.384 1.00 0.00 H new ATOM 0 HH12 ARG B 21 28.872 11.344 0.994 1.00 0.00 H new ATOM 0 HH21 ARG B 21 28.048 8.566 2.950 1.00 0.00 H new ATOM 0 HH22 ARG B 21 28.112 10.329 2.865 1.00 0.00 H new ATOM 945 N ASN B 22 29.145 4.219 -4.062 1.00 0.00 N ATOM 946 CA ASN B 22 30.377 3.516 -4.521 1.00 0.00 C ATOM 947 C ASN B 22 31.028 4.309 -5.654 1.00 0.00 C ATOM 948 O ASN B 22 32.226 4.508 -5.679 1.00 0.00 O ATOM 949 CB ASN B 22 29.896 2.154 -5.022 1.00 0.00 C ATOM 950 CG ASN B 22 31.102 1.302 -5.424 1.00 0.00 C ATOM 951 OD1 ASN B 22 32.196 1.509 -4.936 1.00 0.00 O ATOM 952 ND2 ASN B 22 30.948 0.345 -6.298 1.00 0.00 N ATOM 0 H ASN B 22 28.325 3.625 -3.941 1.00 0.00 H new ATOM 0 HA ASN B 22 31.120 3.413 -3.730 1.00 0.00 H new ATOM 0 HB2 ASN B 22 29.324 1.649 -4.243 1.00 0.00 H new ATOM 0 HB3 ASN B 22 29.229 2.283 -5.874 1.00 0.00 H new ATOM 0 HD21 ASN B 22 31.746 -0.229 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN B 22 30.030 0.171 -6.708 1.00 0.00 H new ATOM 959 N GLU B 23 30.242 4.772 -6.587 1.00 0.00 N ATOM 960 CA GLU B 23 30.808 5.563 -7.715 1.00 0.00 C ATOM 961 C GLU B 23 31.328 6.906 -7.197 1.00 0.00 C ATOM 962 O GLU B 23 32.409 7.340 -7.542 1.00 0.00 O ATOM 963 CB GLU B 23 29.638 5.772 -8.676 1.00 0.00 C ATOM 964 CG GLU B 23 30.033 6.787 -9.750 1.00 0.00 C ATOM 965 CD GLU B 23 29.536 6.305 -11.114 1.00 0.00 C ATOM 966 OE1 GLU B 23 28.779 5.349 -11.144 1.00 0.00 O ATOM 967 OE2 GLU B 23 29.921 6.901 -12.107 1.00 0.00 O ATOM 0 H GLU B 23 29.231 4.636 -6.616 1.00 0.00 H new ATOM 0 HA GLU B 23 31.645 5.061 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU B 23 29.361 4.825 -9.140 1.00 0.00 H new ATOM 0 HB3 GLU B 23 28.764 6.127 -8.130 1.00 0.00 H new ATOM 0 HG2 GLU B 23 29.605 7.762 -9.519 1.00 0.00 H new ATOM 0 HG3 GLU B 23 31.116 6.910 -9.768 1.00 0.00 H new ATOM 974 N ALA B 24 30.566 7.563 -6.365 1.00 0.00 N ATOM 975 CA ALA B 24 31.017 8.873 -5.818 1.00 0.00 C ATOM 976 C ALA B 24 32.279 8.679 -4.973 1.00 0.00 C ATOM 977 O ALA B 24 33.302 9.286 -5.220 1.00 0.00 O ATOM 978 CB ALA B 24 29.858 9.360 -4.948 1.00 0.00 C ATOM 0 H ALA B 24 29.651 7.249 -6.041 1.00 0.00 H new ATOM 0 HA ALA B 24 31.263 9.589 -6.602 1.00 0.00 H new ATOM 0 HB1 ALA B 24 30.114 10.324 -4.507 1.00 0.00 H new ATOM 0 HB2 ALA B 24 28.963 9.467 -5.561 1.00 0.00 H new ATOM 0 HB3 ALA B 24 29.670 8.637 -4.155 1.00 0.00 H new ATOM 984 N LEU B 25 32.215 7.833 -3.981 1.00 0.00 N ATOM 985 CA LEU B 25 33.413 7.597 -3.126 1.00 0.00 C ATOM 986 C LEU B 25 34.571 7.079 -3.983 1.00 0.00 C ATOM 987 O LEU B 25 35.711 7.454 -3.797 1.00 0.00 O ATOM 988 CB LEU B 25 32.977 6.540 -2.112 1.00 0.00 C ATOM 989 CG LEU B 25 33.301 7.025 -0.698 1.00 0.00 C ATOM 990 CD1 LEU B 25 34.786 7.379 -0.608 1.00 0.00 C ATOM 991 CD2 LEU B 25 32.463 8.265 -0.379 1.00 0.00 C ATOM 0 H LEU B 25 31.386 7.296 -3.726 1.00 0.00 H new ATOM 0 HA LEU B 25 33.760 8.507 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU B 25 31.908 6.349 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU B 25 33.488 5.598 -2.311 1.00 0.00 H new ATOM 0 HG LEU B 25 33.071 6.236 0.018 1.00 0.00 H new ATOM 0 HD11 LEU B 25 35.017 7.725 0.400 1.00 0.00 H new ATOM 0 HD12 LEU B 25 35.385 6.497 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU B 25 35.016 8.168 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU B 25 32.694 8.611 0.629 1.00 0.00 H new ATOM 0 HD22 LEU B 25 32.693 9.054 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU B 25 31.404 8.015 -0.443 1.00 0.00 H new ATOM 1003 N GLU B 26 34.287 6.223 -4.927 1.00 0.00 N ATOM 1004 CA GLU B 26 35.374 5.691 -5.796 1.00 0.00 C ATOM 1005 C GLU B 26 36.184 6.853 -6.376 1.00 0.00 C ATOM 1006 O GLU B 26 37.390 6.780 -6.506 1.00 0.00 O ATOM 1007 CB GLU B 26 34.658 4.927 -6.910 1.00 0.00 C ATOM 1008 CG GLU B 26 35.672 4.510 -7.977 1.00 0.00 C ATOM 1009 CD GLU B 26 35.002 3.570 -8.980 1.00 0.00 C ATOM 1010 OE1 GLU B 26 33.783 3.555 -9.026 1.00 0.00 O ATOM 1011 OE2 GLU B 26 35.719 2.879 -9.685 1.00 0.00 O ATOM 0 H GLU B 26 33.352 5.870 -5.133 1.00 0.00 H new ATOM 0 HA GLU B 26 36.068 5.051 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU B 26 34.162 4.047 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU B 26 33.883 5.552 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU B 26 36.058 5.391 -8.490 1.00 0.00 H new ATOM 0 HG3 GLU B 26 36.523 4.014 -7.510 1.00 0.00 H new ATOM 1018 N LEU B 27 35.527 7.928 -6.719 1.00 0.00 N ATOM 1019 CA LEU B 27 36.255 9.099 -7.283 1.00 0.00 C ATOM 1020 C LEU B 27 36.977 9.853 -6.164 1.00 0.00 C ATOM 1021 O LEU B 27 38.045 10.399 -6.357 1.00 0.00 O ATOM 1022 CB LEU B 27 35.171 9.978 -7.908 1.00 0.00 C ATOM 1023 CG LEU B 27 35.251 9.883 -9.433 1.00 0.00 C ATOM 1024 CD1 LEU B 27 33.931 10.358 -10.044 1.00 0.00 C ATOM 1025 CD2 LEU B 27 36.393 10.767 -9.939 1.00 0.00 C ATOM 0 H LEU B 27 34.517 8.045 -6.633 1.00 0.00 H new ATOM 0 HA LEU B 27 37.010 8.806 -8.012 1.00 0.00 H new ATOM 0 HB2 LEU B 27 34.187 9.659 -7.565 1.00 0.00 H new ATOM 0 HB3 LEU B 27 35.300 11.013 -7.591 1.00 0.00 H new ATOM 0 HG LEU B 27 35.435 8.849 -9.723 1.00 0.00 H new ATOM 0 HD11 LEU B 27 33.988 10.290 -11.130 1.00 0.00 H new ATOM 0 HD12 LEU B 27 33.116 9.730 -9.683 1.00 0.00 H new ATOM 0 HD13 LEU B 27 33.747 11.393 -9.754 1.00 0.00 H new ATOM 0 HD21 LEU B 27 36.451 10.700 -11.025 1.00 0.00 H new ATOM 0 HD22 LEU B 27 36.209 11.801 -9.648 1.00 0.00 H new ATOM 0 HD23 LEU B 27 37.334 10.430 -9.504 1.00 0.00 H new ATOM 1037 N LYS B 28 36.402 9.883 -4.992 1.00 0.00 N ATOM 1038 CA LYS B 28 37.054 10.596 -3.858 1.00 0.00 C ATOM 1039 C LYS B 28 38.492 10.097 -3.682 1.00 0.00 C ATOM 1040 O LYS B 28 39.427 10.871 -3.631 1.00 0.00 O ATOM 1041 CB LYS B 28 36.203 10.249 -2.632 1.00 0.00 C ATOM 1042 CG LYS B 28 37.003 10.504 -1.353 1.00 0.00 C ATOM 1043 CD LYS B 28 37.653 11.887 -1.423 1.00 0.00 C ATOM 1044 CE LYS B 28 37.377 12.648 -0.124 1.00 0.00 C ATOM 1045 NZ LYS B 28 37.938 14.010 -0.348 1.00 0.00 N ATOM 0 H LYS B 28 35.508 9.444 -4.772 1.00 0.00 H new ATOM 0 HA LYS B 28 37.111 11.673 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS B 28 35.293 10.850 -2.628 1.00 0.00 H new ATOM 0 HB3 LYS B 28 35.895 9.204 -2.676 1.00 0.00 H new ATOM 0 HG2 LYS B 28 36.348 10.442 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS B 28 37.768 9.737 -1.231 1.00 0.00 H new ATOM 0 HD2 LYS B 28 38.727 11.788 -1.577 1.00 0.00 H new ATOM 0 HD3 LYS B 28 37.259 12.443 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS B 28 36.309 12.691 0.089 1.00 0.00 H new ATOM 0 HE3 LYS B 28 37.852 12.161 0.727 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 37.787 14.592 0.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 38.957 13.938 -0.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 37.462 14.452 -1.160 1.00 0.00 H new ATOM 1059 N ASP B 29 38.674 8.808 -3.590 1.00 0.00 N ATOM 1060 CA ASP B 29 40.051 8.259 -3.419 1.00 0.00 C ATOM 1061 C ASP B 29 40.803 8.292 -4.753 1.00 0.00 C ATOM 1062 O ASP B 29 41.863 8.875 -4.864 1.00 0.00 O ATOM 1063 CB ASP B 29 39.848 6.817 -2.953 1.00 0.00 C ATOM 1064 CG ASP B 29 40.636 6.581 -1.664 1.00 0.00 C ATOM 1065 OD1 ASP B 29 40.464 7.356 -0.737 1.00 0.00 O ATOM 1066 OD2 ASP B 29 41.398 5.629 -1.625 1.00 0.00 O ATOM 0 H ASP B 29 37.930 8.111 -3.626 1.00 0.00 H new ATOM 0 HA ASP B 29 40.641 8.837 -2.708 1.00 0.00 H new ATOM 0 HB2 ASP B 29 38.789 6.624 -2.784 1.00 0.00 H new ATOM 0 HB3 ASP B 29 40.179 6.124 -3.726 1.00 0.00 H new ATOM 1071 N ALA B 30 40.262 7.670 -5.765 1.00 0.00 N ATOM 1072 CA ALA B 30 40.946 7.665 -7.090 1.00 0.00 C ATOM 1073 C ALA B 30 41.503 9.056 -7.404 1.00 0.00 C ATOM 1074 O ALA B 30 42.470 9.199 -8.126 1.00 0.00 O ATOM 1075 CB ALA B 30 39.858 7.285 -8.095 1.00 0.00 C ATOM 0 H ALA B 30 39.376 7.165 -5.732 1.00 0.00 H new ATOM 0 HA ALA B 30 41.787 6.973 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA B 30 40.283 7.259 -9.099 1.00 0.00 H new ATOM 0 HB2 ALA B 30 39.459 6.302 -7.845 1.00 0.00 H new ATOM 0 HB3 ALA B 30 39.056 8.022 -8.059 1.00 0.00 H new ATOM 1081 N GLN B 31 40.902 10.082 -6.867 1.00 0.00 N ATOM 1082 CA GLN B 31 41.400 11.461 -7.135 1.00 0.00 C ATOM 1083 C GLN B 31 41.846 12.125 -5.830 1.00 0.00 C ATOM 1084 O GLN B 31 41.047 12.395 -4.955 1.00 0.00 O ATOM 1085 CB GLN B 31 40.206 12.205 -7.735 1.00 0.00 C ATOM 1086 CG GLN B 31 40.478 12.502 -9.212 1.00 0.00 C ATOM 1087 CD GLN B 31 40.046 13.934 -9.533 1.00 0.00 C ATOM 1088 OE1 GLN B 31 39.136 14.458 -8.922 1.00 0.00 O ATOM 1089 NE2 GLN B 31 40.665 14.595 -10.472 1.00 0.00 N ATOM 0 H GLN B 31 40.088 10.025 -6.255 1.00 0.00 H new ATOM 0 HA GLN B 31 42.261 11.466 -7.804 1.00 0.00 H new ATOM 0 HB2 GLN B 31 39.302 11.604 -7.635 1.00 0.00 H new ATOM 0 HB3 GLN B 31 40.033 13.134 -7.192 1.00 0.00 H new ATOM 0 HG2 GLN B 31 41.538 12.373 -9.431 1.00 0.00 H new ATOM 0 HG3 GLN B 31 39.935 11.797 -9.842 1.00 0.00 H new ATOM 0 HE21 GLN B 31 41.429 14.156 -10.986 1.00 0.00 H new ATOM 0 HE22 GLN B 31 40.385 15.551 -10.692 1.00 0.00 H new