USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 611 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 85 GLN :FLIP amide:sc= 0.379 F(o=-2.7!,f=0.87) USER MOD Set 1.2: A 89 SER OG : rot 148:sc= 0.488 USER MOD Set 2.1: A 64 LYS NZ :NH3+ -149:sc= -3.75! (180deg=-6.33!) USER MOD Set 2.2: A 65 ASN : amide:sc= 1.82 K(o=-1.9,f=-12) USER MOD Set 3.1: A 35 THR OG1 : rot -169:sc= -0.919 USER MOD Set 3.2: A 37 GLN : amide:sc= -0.597 K(o=-1.5,f=-5.7!) USER MOD Set 4.1: A 17 HIS : no HE2:sc= 0.278 K(o=1,f=-1.4) USER MOD Set 4.2: A 67 TYR OH : rot 15:sc= 0.735 USER MOD Single : A 21 TYR OH : rot 30:sc= -0.863! USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.251! K(o=-0.25!,f=-0.85) USER MOD Single : A 30 GLN : amide:sc= 1.27 K(o=1.3,f=-4.8!) USER MOD Single : A 33 ASN : amide:sc= 0.624 K(o=0.62,f=-0.24) USER MOD Single : A 38 GLN : amide:sc= -0.0875 X(o=-0.088,f=-0.11) USER MOD Single : A 40 HIS : no HE2:sc= -0.0696 K(o=-0.07,f=-2.8!) USER MOD Single : A 43 SER OG : rot -149:sc= 2.03 USER MOD Single : A 44 ASN : amide:sc= -0.384 K(o=-0.38,f=-6.5!) USER MOD Single : A 47 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.47) USER MOD Single : A 56 MET CE :methyl -162:sc= -0.816 (180deg=-1.77!) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.0754 F(o=-1.4,f=-0.075) USER MOD Single : A 70 THR OG1 : rot 75:sc= 0.78 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1.4) USER MOD Single : A 87 MET CE :methyl 177:sc= -1.36 (180deg=-1.4) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -2.882 -5.569 -1.105 1.00 60.21 N ATOM 52 CA HIS A 17 -3.430 -6.226 0.107 1.00 21.33 C ATOM 53 C HIS A 17 -2.482 -7.229 0.683 1.00 61.31 C ATOM 54 O HIS A 17 -2.552 -7.623 1.837 1.00 53.40 O ATOM 55 CB HIS A 17 -4.788 -6.837 -0.178 1.00 4.10 C ATOM 56 CG HIS A 17 -5.888 -5.835 -0.173 1.00 54.10 C ATOM 57 ND1 HIS A 17 -6.586 -5.503 0.956 1.00 54.51 N ATOM 58 CD2 HIS A 17 -6.400 -5.076 -1.172 1.00 20.51 C ATOM 59 CE1 HIS A 17 -7.488 -4.577 0.634 1.00 52.15 C ATOM 60 NE2 HIS A 17 -7.418 -4.277 -0.656 1.00 34.34 N ATOM 0 HA HIS A 17 -3.562 -5.454 0.865 1.00 21.33 H new ATOM 0 HB2 HIS A 17 -4.761 -7.334 -1.148 1.00 4.10 H new ATOM 0 HB3 HIS A 17 -4.999 -7.604 0.567 1.00 4.10 H new ATOM 0 HD1 HIS A 17 -6.441 -5.897 1.885 1.00 54.51 H new ATOM 0 HD2 HIS A 17 -6.072 -5.088 -2.201 1.00 20.51 H new ATOM 0 HE1 HIS A 17 -8.183 -4.131 1.330 1.00 52.15 H new ATOM 68 N ALA A 18 -1.606 -7.636 -0.131 1.00 65.21 N ATOM 69 CA ALA A 18 -0.580 -8.514 0.233 1.00 34.24 C ATOM 70 C ALA A 18 0.418 -7.866 1.229 1.00 52.32 C ATOM 71 O ALA A 18 1.321 -8.512 1.722 1.00 35.20 O ATOM 72 CB ALA A 18 -0.013 -9.208 -0.954 1.00 35.30 C ATOM 0 H ALA A 18 -1.580 -7.357 -1.112 1.00 65.21 H new ATOM 0 HA ALA A 18 -0.992 -9.333 0.823 1.00 34.24 H new ATOM 0 HB1 ALA A 18 0.782 -9.883 -0.636 1.00 35.30 H new ATOM 0 HB2 ALA A 18 -0.797 -9.780 -1.450 1.00 35.30 H new ATOM 0 HB3 ALA A 18 0.393 -8.471 -1.647 1.00 35.30 H new ATOM 78 N ALA A 19 0.334 -6.554 1.398 1.00 75.01 N ATOM 79 CA ALA A 19 1.045 -5.876 2.480 1.00 10.31 C ATOM 80 C ALA A 19 0.785 -6.598 3.848 1.00 55.20 C ATOM 81 O ALA A 19 1.683 -6.685 4.695 1.00 63.25 O ATOM 82 CB ALA A 19 0.632 -4.414 2.554 1.00 62.32 C ATOM 0 H ALA A 19 -0.218 -5.936 0.803 1.00 75.01 H new ATOM 0 HA ALA A 19 2.114 -5.919 2.271 1.00 10.31 H new ATOM 0 HB1 ALA A 19 1.171 -3.924 3.365 1.00 62.32 H new ATOM 0 HB2 ALA A 19 0.869 -3.921 1.611 1.00 62.32 H new ATOM 0 HB3 ALA A 19 -0.440 -4.348 2.739 1.00 62.32 H new ATOM 88 N ASP A 20 -0.440 -7.137 4.046 1.00 32.32 N ATOM 89 CA ASP A 20 -0.738 -7.977 5.234 1.00 41.44 C ATOM 90 C ASP A 20 0.069 -9.261 5.144 1.00 51.20 C ATOM 91 O ASP A 20 0.659 -9.715 6.114 1.00 73.44 O ATOM 92 CB ASP A 20 -2.226 -8.361 5.336 1.00 0.21 C ATOM 93 CG ASP A 20 -3.159 -7.234 5.697 1.00 50.11 C ATOM 94 OD1 ASP A 20 -3.584 -6.509 4.777 1.00 15.52 O ATOM 95 OD2 ASP A 20 -3.511 -7.107 6.897 1.00 4.14 O ATOM 0 H ASP A 20 -1.228 -7.010 3.411 1.00 32.32 H new ATOM 0 HA ASP A 20 -0.478 -7.390 6.115 1.00 41.44 H new ATOM 0 HB2 ASP A 20 -2.542 -8.781 4.381 1.00 0.21 H new ATOM 0 HB3 ASP A 20 -2.330 -9.150 6.081 1.00 0.21 H new ATOM 100 N TYR A 21 0.105 -9.820 3.941 1.00 2.35 N ATOM 101 CA TYR A 21 0.873 -11.048 3.606 1.00 24.25 C ATOM 102 C TYR A 21 2.336 -10.866 3.981 1.00 23.22 C ATOM 103 O TYR A 21 2.988 -11.800 4.410 1.00 71.51 O ATOM 104 CB TYR A 21 0.738 -11.289 2.104 1.00 1.10 C ATOM 105 CG TYR A 21 1.533 -12.401 1.446 1.00 32.24 C ATOM 106 CD1 TYR A 21 2.927 -12.304 1.181 1.00 72.20 C ATOM 107 CD2 TYR A 21 0.880 -13.506 0.998 1.00 61.25 C ATOM 108 CE1 TYR A 21 3.581 -13.297 0.506 1.00 43.20 C ATOM 109 CE2 TYR A 21 1.534 -14.475 0.309 1.00 71.34 C ATOM 110 CZ TYR A 21 2.873 -14.376 0.066 1.00 50.43 C ATOM 111 OH TYR A 21 3.479 -15.341 -0.667 1.00 1.54 O ATOM 0 H TYR A 21 -0.403 -9.437 3.144 1.00 2.35 H new ATOM 0 HA TYR A 21 0.486 -11.903 4.161 1.00 24.25 H new ATOM 0 HB2 TYR A 21 -0.316 -11.476 1.898 1.00 1.10 H new ATOM 0 HB3 TYR A 21 1.001 -10.359 1.600 1.00 1.10 H new ATOM 0 HD1 TYR A 21 3.475 -11.436 1.517 1.00 72.20 H new ATOM 0 HD2 TYR A 21 -0.177 -13.614 1.194 1.00 61.25 H new ATOM 0 HE1 TYR A 21 4.643 -13.228 0.324 1.00 43.20 H new ATOM 0 HE2 TYR A 21 0.988 -15.335 -0.051 1.00 71.34 H new ATOM 0 HH TYR A 21 4.423 -15.401 -0.412 1.00 1.54 H new ATOM 121 N GLN A 22 2.830 -9.658 3.796 1.00 41.33 N ATOM 122 CA GLN A 22 4.181 -9.286 4.180 1.00 32.45 C ATOM 123 C GLN A 22 4.384 -9.554 5.673 1.00 3.02 C ATOM 124 O GLN A 22 5.327 -10.247 6.066 1.00 62.23 O ATOM 125 CB GLN A 22 4.404 -7.813 3.868 1.00 33.20 C ATOM 126 CG GLN A 22 5.763 -7.274 4.261 1.00 41.23 C ATOM 127 CD GLN A 22 5.889 -5.778 4.013 1.00 32.42 C ATOM 128 OE1 GLN A 22 5.161 -5.259 3.045 1.00 51.41 O flip ATOM 129 NE2 GLN A 22 6.621 -5.093 4.700 1.00 41.33 N flip ATOM 0 H GLN A 22 2.300 -8.897 3.370 1.00 41.33 H new ATOM 0 HA GLN A 22 4.902 -9.881 3.619 1.00 32.45 H new ATOM 0 HB2 GLN A 22 4.264 -7.659 2.798 1.00 33.20 H new ATOM 0 HB3 GLN A 22 3.637 -7.229 4.377 1.00 33.20 H new ATOM 0 HG2 GLN A 22 5.941 -7.481 5.316 1.00 41.23 H new ATOM 0 HG3 GLN A 22 6.535 -7.799 3.699 1.00 41.23 H new ATOM 0 HE21 GLN A 22 7.173 -5.523 5.442 1.00 41.33 H new ATOM 0 HE22 GLN A 22 6.683 -4.089 4.534 1.00 41.33 H new ATOM 138 N GLN A 23 3.462 -9.045 6.488 1.00 41.10 N ATOM 139 CA GLN A 23 3.503 -9.268 7.926 1.00 42.54 C ATOM 140 C GLN A 23 3.288 -10.721 8.274 1.00 72.52 C ATOM 141 O GLN A 23 3.935 -11.245 9.185 1.00 15.42 O ATOM 142 CB GLN A 23 2.523 -8.374 8.689 1.00 31.24 C ATOM 143 CG GLN A 23 3.068 -6.993 8.979 1.00 60.42 C ATOM 144 CD GLN A 23 4.332 -7.091 9.814 1.00 3.12 C ATOM 145 OE1 GLN A 23 4.273 -7.125 11.039 1.00 24.43 O ATOM 146 NE2 GLN A 23 5.466 -7.136 9.163 1.00 10.11 N ATOM 0 H GLN A 23 2.677 -8.475 6.173 1.00 41.10 H new ATOM 0 HA GLN A 23 4.507 -8.989 8.246 1.00 42.54 H new ATOM 0 HB2 GLN A 23 1.604 -8.279 8.111 1.00 31.24 H new ATOM 0 HB3 GLN A 23 2.259 -8.857 9.630 1.00 31.24 H new ATOM 0 HG2 GLN A 23 3.281 -6.475 8.044 1.00 60.42 H new ATOM 0 HG3 GLN A 23 2.320 -6.403 9.508 1.00 60.42 H new ATOM 0 HE21 GLN A 23 5.470 -7.105 8.143 1.00 10.11 H new ATOM 0 HE22 GLN A 23 6.346 -7.202 9.675 1.00 10.11 H new ATOM 155 N LEU A 24 2.375 -11.359 7.552 1.00 71.14 N ATOM 156 CA LEU A 24 2.122 -12.788 7.679 1.00 65.43 C ATOM 157 C LEU A 24 3.411 -13.546 7.505 1.00 4.03 C ATOM 158 O LEU A 24 3.829 -14.280 8.389 1.00 3.21 O ATOM 159 CB LEU A 24 1.110 -13.252 6.617 1.00 21.04 C ATOM 160 CG LEU A 24 0.840 -14.759 6.559 1.00 32.14 C ATOM 161 CD1 LEU A 24 0.121 -15.246 7.797 1.00 70.21 C ATOM 162 CD2 LEU A 24 0.080 -15.139 5.310 1.00 25.24 C ATOM 0 H LEU A 24 1.787 -10.897 6.859 1.00 71.14 H new ATOM 0 HA LEU A 24 1.709 -12.983 8.669 1.00 65.43 H new ATOM 0 HB2 LEU A 24 0.165 -12.740 6.797 1.00 21.04 H new ATOM 0 HB3 LEU A 24 1.466 -12.929 5.639 1.00 21.04 H new ATOM 0 HG LEU A 24 1.810 -15.255 6.523 1.00 32.14 H new ATOM 0 HD11 LEU A 24 -0.053 -16.319 7.718 1.00 70.21 H new ATOM 0 HD12 LEU A 24 0.731 -15.041 8.677 1.00 70.21 H new ATOM 0 HD13 LEU A 24 -0.835 -14.730 7.890 1.00 70.21 H new ATOM 0 HD21 LEU A 24 -0.094 -16.215 5.303 1.00 25.24 H new ATOM 0 HD22 LEU A 24 -0.877 -14.617 5.293 1.00 25.24 H new ATOM 0 HD23 LEU A 24 0.661 -14.859 4.431 1.00 25.24 H new ATOM 174 N ARG A 25 4.060 -13.300 6.395 1.00 74.00 N ATOM 175 CA ARG A 25 5.254 -13.970 6.031 1.00 20.20 C ATOM 176 C ARG A 25 6.358 -13.743 7.057 1.00 45.20 C ATOM 177 O ARG A 25 6.978 -14.700 7.502 1.00 3.01 O ATOM 178 CB ARG A 25 5.704 -13.517 4.657 1.00 45.41 C ATOM 179 CG ARG A 25 6.745 -14.413 4.093 1.00 35.41 C ATOM 180 CD ARG A 25 7.246 -13.956 2.749 1.00 21.52 C ATOM 181 NE ARG A 25 8.247 -14.926 2.247 1.00 51.44 N ATOM 182 CZ ARG A 25 8.644 -15.053 0.980 1.00 74.20 C ATOM 183 NH1 ARG A 25 8.312 -14.146 0.083 1.00 2.14 N ATOM 184 NH2 ARG A 25 9.423 -16.074 0.626 1.00 21.31 N ATOM 0 H ARG A 25 3.754 -12.608 5.711 1.00 74.00 H new ATOM 0 HA ARG A 25 5.047 -15.040 6.004 1.00 20.20 H new ATOM 0 HB2 ARG A 25 4.846 -13.489 3.985 1.00 45.41 H new ATOM 0 HB3 ARG A 25 6.094 -12.501 4.719 1.00 45.41 H new ATOM 0 HG2 ARG A 25 7.583 -14.470 4.787 1.00 35.41 H new ATOM 0 HG3 ARG A 25 6.339 -15.420 4.000 1.00 35.41 H new ATOM 0 HD2 ARG A 25 6.416 -13.875 2.047 1.00 21.52 H new ATOM 0 HD3 ARG A 25 7.692 -12.965 2.832 1.00 21.52 H new ATOM 0 HE ARG A 25 8.670 -15.553 2.931 1.00 51.44 H new ATOM 0 HH11 ARG A 25 7.748 -13.341 0.356 1.00 2.14 H new ATOM 0 HH12 ARG A 25 8.619 -14.249 -0.884 1.00 2.14 H new ATOM 0 HH21 ARG A 25 9.716 -16.758 1.324 1.00 21.31 H new ATOM 0 HH22 ARG A 25 9.727 -16.172 -0.343 1.00 21.31 H new ATOM 198 N GLU A 26 6.565 -12.482 7.452 1.00 4.15 N ATOM 199 CA GLU A 26 7.617 -12.131 8.415 1.00 32.44 C ATOM 200 C GLU A 26 7.388 -12.886 9.730 1.00 4.24 C ATOM 201 O GLU A 26 8.310 -13.495 10.293 1.00 11.50 O ATOM 202 CB GLU A 26 7.604 -10.628 8.713 1.00 44.11 C ATOM 203 CG GLU A 26 8.868 -10.139 9.416 1.00 71.31 C ATOM 204 CD GLU A 26 8.621 -9.006 10.390 1.00 51.44 C ATOM 205 OE1 GLU A 26 7.624 -8.278 10.249 1.00 12.23 O ATOM 206 OE2 GLU A 26 9.364 -8.920 11.398 1.00 34.10 O ATOM 0 H GLU A 26 6.019 -11.687 7.120 1.00 4.15 H new ATOM 0 HA GLU A 26 8.578 -12.405 7.979 1.00 32.44 H new ATOM 0 HB2 GLU A 26 7.482 -10.081 7.778 1.00 44.11 H new ATOM 0 HB3 GLU A 26 6.739 -10.396 9.334 1.00 44.11 H new ATOM 0 HG2 GLU A 26 9.322 -10.973 9.950 1.00 71.31 H new ATOM 0 HG3 GLU A 26 9.587 -9.811 8.665 1.00 71.31 H new ATOM 213 N ARG A 27 6.139 -12.873 10.181 1.00 22.22 N ATOM 214 CA ARG A 27 5.747 -13.495 11.413 1.00 12.41 C ATOM 215 C ARG A 27 5.931 -15.001 11.342 1.00 72.15 C ATOM 216 O ARG A 27 6.420 -15.603 12.279 1.00 75.40 O ATOM 217 CB ARG A 27 4.305 -13.192 11.693 1.00 41.23 C ATOM 218 CG ARG A 27 4.024 -12.906 13.149 1.00 43.24 C ATOM 219 CD ARG A 27 4.437 -11.482 13.567 1.00 3.12 C ATOM 220 NE ARG A 27 5.890 -11.276 13.608 1.00 30.13 N ATOM 221 CZ ARG A 27 6.564 -10.302 12.955 1.00 43.11 C ATOM 222 NH1 ARG A 27 5.941 -9.458 12.126 1.00 44.51 N ATOM 223 NH2 ARG A 27 7.857 -10.186 13.132 1.00 62.21 N ATOM 0 H ARG A 27 5.370 -12.421 9.686 1.00 22.22 H new ATOM 0 HA ARG A 27 6.376 -13.100 12.211 1.00 12.41 H new ATOM 0 HB2 ARG A 27 3.999 -12.333 11.096 1.00 41.23 H new ATOM 0 HB3 ARG A 27 3.695 -14.036 11.372 1.00 41.23 H new ATOM 0 HG2 ARG A 27 2.960 -13.043 13.343 1.00 43.24 H new ATOM 0 HG3 ARG A 27 4.556 -13.630 13.766 1.00 43.24 H new ATOM 0 HD2 ARG A 27 3.997 -10.767 12.872 1.00 3.12 H new ATOM 0 HD3 ARG A 27 4.021 -11.267 14.551 1.00 3.12 H new ATOM 0 HE ARG A 27 6.437 -11.922 14.177 1.00 30.13 H new ATOM 0 HH11 ARG A 27 4.936 -9.541 11.975 1.00 44.51 H new ATOM 0 HH12 ARG A 27 6.471 -8.731 11.645 1.00 44.51 H new ATOM 0 HH21 ARG A 27 8.346 -10.827 13.757 1.00 62.21 H new ATOM 0 HH22 ARG A 27 8.375 -9.455 12.644 1.00 62.21 H new ATOM 237 N LEU A 28 5.572 -15.586 10.201 1.00 24.13 N ATOM 238 CA LEU A 28 5.670 -17.034 9.988 1.00 35.22 C ATOM 239 C LEU A 28 7.114 -17.458 10.006 1.00 42.02 C ATOM 240 O LEU A 28 7.472 -18.418 10.653 1.00 33.51 O ATOM 241 CB LEU A 28 5.067 -17.435 8.638 1.00 10.21 C ATOM 242 CG LEU A 28 3.567 -17.264 8.450 1.00 2.02 C ATOM 243 CD1 LEU A 28 3.213 -17.478 6.999 1.00 70.21 C ATOM 244 CD2 LEU A 28 2.807 -18.248 9.306 1.00 71.14 C ATOM 0 H LEU A 28 5.206 -15.074 9.398 1.00 24.13 H new ATOM 0 HA LEU A 28 5.118 -17.525 10.789 1.00 35.22 H new ATOM 0 HB2 LEU A 28 5.569 -16.857 7.862 1.00 10.21 H new ATOM 0 HB3 LEU A 28 5.309 -18.483 8.462 1.00 10.21 H new ATOM 0 HG LEU A 28 3.291 -16.254 8.752 1.00 2.02 H new ATOM 0 HD11 LEU A 28 2.138 -17.355 6.865 1.00 70.21 H new ATOM 0 HD12 LEU A 28 3.741 -16.749 6.384 1.00 70.21 H new ATOM 0 HD13 LEU A 28 3.504 -18.485 6.698 1.00 70.21 H new ATOM 0 HD21 LEU A 28 1.736 -18.109 9.157 1.00 71.14 H new ATOM 0 HD22 LEU A 28 3.084 -19.264 9.025 1.00 71.14 H new ATOM 0 HD23 LEU A 28 3.052 -18.082 10.355 1.00 71.14 H new ATOM 256 N ILE A 29 7.928 -16.719 9.289 1.00 11.35 N ATOM 257 CA ILE A 29 9.359 -16.954 9.211 1.00 2.23 C ATOM 258 C ILE A 29 9.961 -17.039 10.618 1.00 53.54 C ATOM 259 O ILE A 29 10.657 -17.989 10.951 1.00 43.11 O ATOM 260 CB ILE A 29 10.015 -15.818 8.367 1.00 63.12 C ATOM 261 CG1 ILE A 29 9.705 -16.022 6.874 1.00 21.14 C ATOM 262 CG2 ILE A 29 11.498 -15.674 8.623 1.00 4.33 C ATOM 263 CD1 ILE A 29 10.210 -14.917 5.972 1.00 14.33 C ATOM 0 H ILE A 29 7.614 -15.924 8.733 1.00 11.35 H new ATOM 0 HA ILE A 29 9.555 -17.907 8.719 1.00 2.23 H new ATOM 0 HB ILE A 29 9.573 -14.875 8.687 1.00 63.12 H new ATOM 0 HG12 ILE A 29 10.143 -16.966 6.551 1.00 21.14 H new ATOM 0 HG13 ILE A 29 8.626 -16.111 6.749 1.00 21.14 H new ATOM 0 HG21 ILE A 29 11.897 -14.868 8.007 1.00 4.33 H new ATOM 0 HG22 ILE A 29 11.665 -15.443 9.675 1.00 4.33 H new ATOM 0 HG23 ILE A 29 12.003 -16.607 8.372 1.00 4.33 H new ATOM 0 HD11 ILE A 29 9.948 -15.143 4.938 1.00 14.33 H new ATOM 0 HD12 ILE A 29 9.753 -13.971 6.264 1.00 14.33 H new ATOM 0 HD13 ILE A 29 11.293 -14.840 6.063 1.00 14.33 H new ATOM 275 N GLN A 30 9.602 -16.097 11.443 1.00 63.13 N ATOM 276 CA GLN A 30 10.085 -16.040 12.802 1.00 45.44 C ATOM 277 C GLN A 30 9.448 -17.121 13.697 1.00 23.20 C ATOM 278 O GLN A 30 10.122 -17.702 14.537 1.00 53.01 O ATOM 279 CB GLN A 30 9.856 -14.642 13.348 1.00 61.01 C ATOM 280 CG GLN A 30 10.744 -13.603 12.683 1.00 24.05 C ATOM 281 CD GLN A 30 10.344 -12.185 13.000 1.00 45.22 C ATOM 282 OE1 GLN A 30 9.791 -11.893 14.067 1.00 21.35 O ATOM 283 NE2 GLN A 30 10.608 -11.298 12.076 1.00 13.14 N ATOM 0 H GLN A 30 8.963 -15.341 11.195 1.00 63.13 H new ATOM 0 HA GLN A 30 11.154 -16.254 12.803 1.00 45.44 H new ATOM 0 HB2 GLN A 30 8.811 -14.367 13.205 1.00 61.01 H new ATOM 0 HB3 GLN A 30 10.042 -14.640 14.422 1.00 61.01 H new ATOM 0 HG2 GLN A 30 11.775 -13.761 12.999 1.00 24.05 H new ATOM 0 HG3 GLN A 30 10.715 -13.748 11.603 1.00 24.05 H new ATOM 0 HE21 GLN A 30 11.066 -11.584 11.211 1.00 13.14 H new ATOM 0 HE22 GLN A 30 10.356 -10.320 12.221 1.00 13.14 H new ATOM 292 N GLU A 31 8.172 -17.403 13.484 1.00 41.10 N ATOM 293 CA GLU A 31 7.447 -18.386 14.291 1.00 25.15 C ATOM 294 C GLU A 31 7.889 -19.826 13.976 1.00 45.53 C ATOM 295 O GLU A 31 8.048 -20.650 14.877 1.00 3.11 O ATOM 296 CB GLU A 31 5.926 -18.222 14.106 1.00 2.41 C ATOM 297 CG GLU A 31 5.102 -19.178 14.955 1.00 22.41 C ATOM 298 CD GLU A 31 3.622 -18.890 14.939 1.00 3.34 C ATOM 299 OE1 GLU A 31 3.038 -18.679 13.867 1.00 71.52 O ATOM 300 OE2 GLU A 31 2.995 -18.907 16.034 1.00 50.30 O ATOM 0 H GLU A 31 7.609 -16.964 12.755 1.00 41.10 H new ATOM 0 HA GLU A 31 7.691 -18.198 15.336 1.00 25.15 H new ATOM 0 HB2 GLU A 31 5.647 -17.198 14.353 1.00 2.41 H new ATOM 0 HB3 GLU A 31 5.678 -18.376 13.056 1.00 2.41 H new ATOM 0 HG2 GLU A 31 5.268 -20.196 14.603 1.00 22.41 H new ATOM 0 HG3 GLU A 31 5.459 -19.135 15.984 1.00 22.41 H new ATOM 307 N LEU A 32 8.101 -20.108 12.705 1.00 75.11 N ATOM 308 CA LEU A 32 8.523 -21.434 12.259 1.00 1.33 C ATOM 309 C LEU A 32 10.038 -21.616 12.375 1.00 33.25 C ATOM 310 O LEU A 32 10.555 -22.686 12.058 1.00 43.14 O ATOM 311 CB LEU A 32 8.107 -21.705 10.796 1.00 0.02 C ATOM 312 CG LEU A 32 6.630 -22.043 10.471 1.00 52.22 C ATOM 313 CD1 LEU A 32 5.663 -20.916 10.792 1.00 41.41 C ATOM 314 CD2 LEU A 32 6.522 -22.426 9.014 1.00 15.42 C ATOM 0 H LEU A 32 7.988 -19.431 11.950 1.00 75.11 H new ATOM 0 HA LEU A 32 8.022 -22.145 12.916 1.00 1.33 H new ATOM 0 HB2 LEU A 32 8.376 -20.825 10.212 1.00 0.02 H new ATOM 0 HB3 LEU A 32 8.719 -22.530 10.430 1.00 0.02 H new ATOM 0 HG LEU A 32 6.341 -22.876 11.112 1.00 52.22 H new ATOM 0 HD11 LEU A 32 4.649 -21.224 10.539 1.00 41.41 H new ATOM 0 HD12 LEU A 32 5.717 -20.682 11.855 1.00 41.41 H new ATOM 0 HD13 LEU A 32 5.929 -20.032 10.212 1.00 41.41 H new ATOM 0 HD21 LEU A 32 5.485 -22.666 8.777 1.00 15.42 H new ATOM 0 HD22 LEU A 32 6.853 -21.593 8.393 1.00 15.42 H new ATOM 0 HD23 LEU A 32 7.149 -23.296 8.819 1.00 15.42 H new ATOM 326 N ASN A 33 10.742 -20.548 12.804 1.00 74.23 N ATOM 327 CA ASN A 33 12.225 -20.543 12.947 1.00 33.00 C ATOM 328 C ASN A 33 12.851 -20.776 11.548 1.00 32.51 C ATOM 329 O ASN A 33 13.944 -21.322 11.385 1.00 62.24 O ATOM 330 CB ASN A 33 12.668 -21.624 14.002 1.00 73.44 C ATOM 331 CG ASN A 33 14.113 -21.485 14.567 1.00 11.45 C ATOM 332 OD1 ASN A 33 14.353 -21.788 15.730 1.00 2.50 O ATOM 333 ND2 ASN A 33 15.073 -21.109 13.765 1.00 25.12 N ATOM 0 H ASN A 33 10.306 -19.663 13.062 1.00 74.23 H new ATOM 0 HA ASN A 33 12.579 -19.583 13.322 1.00 33.00 H new ATOM 0 HB2 ASN A 33 11.969 -21.593 14.838 1.00 73.44 H new ATOM 0 HB3 ASN A 33 12.573 -22.608 13.544 1.00 73.44 H new ATOM 0 HD21 ASN A 33 16.034 -21.065 14.105 1.00 25.12 H new ATOM 0 HD22 ASN A 33 14.862 -20.859 12.799 1.00 25.12 H new ATOM 340 N LEU A 34 12.169 -20.279 10.554 1.00 55.03 N ATOM 341 CA LEU A 34 12.569 -20.431 9.188 1.00 3.41 C ATOM 342 C LEU A 34 13.164 -19.141 8.648 1.00 42.11 C ATOM 343 O LEU A 34 13.291 -18.160 9.363 1.00 51.34 O ATOM 344 CB LEU A 34 11.388 -20.924 8.318 1.00 61.14 C ATOM 345 CG LEU A 34 10.978 -22.392 8.498 1.00 10.54 C ATOM 346 CD1 LEU A 34 9.898 -22.768 7.506 1.00 13.51 C ATOM 347 CD2 LEU A 34 12.174 -23.331 8.363 1.00 40.23 C ATOM 0 H LEU A 34 11.306 -19.749 10.675 1.00 55.03 H new ATOM 0 HA LEU A 34 13.348 -21.192 9.144 1.00 3.41 H new ATOM 0 HB2 LEU A 34 10.521 -20.298 8.531 1.00 61.14 H new ATOM 0 HB3 LEU A 34 11.645 -20.766 7.271 1.00 61.14 H new ATOM 0 HG LEU A 34 10.582 -22.501 9.508 1.00 10.54 H new ATOM 0 HD11 LEU A 34 9.620 -23.812 7.649 1.00 13.51 H new ATOM 0 HD12 LEU A 34 9.024 -22.135 7.662 1.00 13.51 H new ATOM 0 HD13 LEU A 34 10.271 -22.627 6.491 1.00 13.51 H new ATOM 0 HD21 LEU A 34 11.844 -24.361 8.497 1.00 40.23 H new ATOM 0 HD22 LEU A 34 12.616 -23.217 7.373 1.00 40.23 H new ATOM 0 HD23 LEU A 34 12.916 -23.086 9.123 1.00 40.23 H new ATOM 359 N THR A 35 13.565 -19.164 7.410 1.00 25.52 N ATOM 360 CA THR A 35 14.125 -18.012 6.761 1.00 72.24 C ATOM 361 C THR A 35 13.244 -17.684 5.561 1.00 22.51 C ATOM 362 O THR A 35 12.391 -18.499 5.204 1.00 0.15 O ATOM 363 CB THR A 35 15.562 -18.328 6.271 1.00 14.44 C ATOM 364 OG1 THR A 35 15.532 -19.473 5.402 1.00 3.34 O ATOM 365 CG2 THR A 35 16.500 -18.601 7.442 1.00 64.43 C ATOM 0 H THR A 35 13.512 -19.991 6.816 1.00 25.52 H new ATOM 0 HA THR A 35 14.169 -17.171 7.453 1.00 72.24 H new ATOM 0 HB THR A 35 15.937 -17.459 5.731 1.00 14.44 H new ATOM 0 HG1 THR A 35 16.447 -19.779 5.232 1.00 3.34 H new ATOM 0 HG21 THR A 35 17.499 -18.819 7.065 1.00 64.43 H new ATOM 0 HG22 THR A 35 16.540 -17.724 8.088 1.00 64.43 H new ATOM 0 HG23 THR A 35 16.133 -19.455 8.011 1.00 64.43 H new ATOM 373 N PRO A 36 13.417 -16.512 4.902 1.00 24.24 N ATOM 374 CA PRO A 36 12.649 -16.171 3.689 1.00 51.12 C ATOM 375 C PRO A 36 12.934 -17.148 2.537 1.00 63.24 C ATOM 376 O PRO A 36 12.181 -17.226 1.574 1.00 42.20 O ATOM 377 CB PRO A 36 13.150 -14.765 3.323 1.00 23.41 C ATOM 378 CG PRO A 36 13.751 -14.227 4.574 1.00 0.13 C ATOM 379 CD PRO A 36 14.314 -15.407 5.305 1.00 34.22 C ATOM 0 HA PRO A 36 11.574 -16.221 3.862 1.00 51.12 H new ATOM 0 HB2 PRO A 36 13.885 -14.806 2.519 1.00 23.41 H new ATOM 0 HB3 PRO A 36 12.332 -14.134 2.976 1.00 23.41 H new ATOM 0 HG2 PRO A 36 14.531 -13.499 4.350 1.00 0.13 H new ATOM 0 HG3 PRO A 36 13.001 -13.716 5.178 1.00 0.13 H new ATOM 0 HD2 PRO A 36 15.348 -15.602 5.019 1.00 34.22 H new ATOM 0 HD3 PRO A 36 14.305 -15.254 6.384 1.00 34.22 H new ATOM 387 N GLN A 37 14.043 -17.861 2.652 1.00 60.42 N ATOM 388 CA GLN A 37 14.444 -18.845 1.670 1.00 70.22 C ATOM 389 C GLN A 37 13.755 -20.173 1.942 1.00 60.43 C ATOM 390 O GLN A 37 13.257 -20.813 1.030 1.00 11.54 O ATOM 391 CB GLN A 37 15.974 -19.044 1.654 1.00 10.34 C ATOM 392 CG GLN A 37 16.805 -17.829 1.211 1.00 4.11 C ATOM 393 CD GLN A 37 16.773 -16.654 2.185 1.00 74.42 C ATOM 394 OE1 GLN A 37 16.626 -16.825 3.396 1.00 61.43 O ATOM 395 NE2 GLN A 37 16.905 -15.458 1.665 1.00 71.04 N ATOM 0 H GLN A 37 14.691 -17.770 3.435 1.00 60.42 H new ATOM 0 HA GLN A 37 14.142 -18.473 0.691 1.00 70.22 H new ATOM 0 HB2 GLN A 37 16.294 -19.333 2.655 1.00 10.34 H new ATOM 0 HB3 GLN A 37 16.205 -19.879 0.992 1.00 10.34 H new ATOM 0 HG2 GLN A 37 17.840 -18.143 1.073 1.00 4.11 H new ATOM 0 HG3 GLN A 37 16.442 -17.491 0.240 1.00 4.11 H new ATOM 0 HE21 GLN A 37 17.025 -15.350 0.658 1.00 71.04 H new ATOM 0 HE22 GLN A 37 16.888 -14.635 2.268 1.00 71.04 H new ATOM 404 N GLN A 38 13.706 -20.568 3.216 1.00 50.43 N ATOM 405 CA GLN A 38 13.076 -21.835 3.582 1.00 24.35 C ATOM 406 C GLN A 38 11.572 -21.695 3.517 1.00 63.41 C ATOM 407 O GLN A 38 10.850 -22.639 3.177 1.00 14.23 O ATOM 408 CB GLN A 38 13.481 -22.286 4.991 1.00 44.55 C ATOM 409 CG GLN A 38 14.965 -22.559 5.183 1.00 12.24 C ATOM 410 CD GLN A 38 15.500 -23.614 4.241 1.00 50.13 C ATOM 411 OE1 GLN A 38 15.963 -23.311 3.162 1.00 32.34 O ATOM 412 NE2 GLN A 38 15.433 -24.855 4.645 1.00 2.13 N ATOM 0 H GLN A 38 14.089 -20.038 3.999 1.00 50.43 H new ATOM 0 HA GLN A 38 13.416 -22.590 2.873 1.00 24.35 H new ATOM 0 HB2 GLN A 38 13.174 -21.519 5.703 1.00 44.55 H new ATOM 0 HB3 GLN A 38 12.927 -23.191 5.239 1.00 44.55 H new ATOM 0 HG2 GLN A 38 15.521 -21.633 5.036 1.00 12.24 H new ATOM 0 HG3 GLN A 38 15.140 -22.876 6.211 1.00 12.24 H new ATOM 0 HE21 GLN A 38 15.037 -25.073 5.559 1.00 2.13 H new ATOM 0 HE22 GLN A 38 15.777 -25.606 4.046 1.00 2.13 H new ATOM 421 N LEU A 39 11.103 -20.526 3.854 1.00 74.13 N ATOM 422 CA LEU A 39 9.717 -20.247 3.814 1.00 3.54 C ATOM 423 C LEU A 39 9.468 -19.343 2.614 1.00 43.21 C ATOM 424 O LEU A 39 9.534 -18.099 2.689 1.00 13.33 O ATOM 425 CB LEU A 39 9.255 -19.641 5.151 1.00 71.31 C ATOM 426 CG LEU A 39 7.772 -19.754 5.497 1.00 62.52 C ATOM 427 CD1 LEU A 39 7.557 -19.407 6.947 1.00 55.32 C ATOM 428 CD2 LEU A 39 6.944 -18.841 4.643 1.00 64.02 C ATOM 0 H LEU A 39 11.683 -19.746 4.163 1.00 74.13 H new ATOM 0 HA LEU A 39 9.125 -21.153 3.689 1.00 3.54 H new ATOM 0 HB2 LEU A 39 9.825 -20.115 5.951 1.00 71.31 H new ATOM 0 HB3 LEU A 39 9.522 -18.584 5.152 1.00 71.31 H new ATOM 0 HG LEU A 39 7.461 -20.782 5.310 1.00 62.52 H new ATOM 0 HD11 LEU A 39 6.497 -19.489 7.188 1.00 55.32 H new ATOM 0 HD12 LEU A 39 8.126 -20.094 7.574 1.00 55.32 H new ATOM 0 HD13 LEU A 39 7.892 -18.386 7.130 1.00 55.32 H new ATOM 0 HD21 LEU A 39 5.893 -18.944 4.913 1.00 64.02 H new ATOM 0 HD22 LEU A 39 7.260 -17.810 4.801 1.00 64.02 H new ATOM 0 HD23 LEU A 39 7.077 -19.105 3.594 1.00 64.02 H new ATOM 440 N HIS A 40 9.291 -19.994 1.517 1.00 55.41 N ATOM 441 CA HIS A 40 9.082 -19.411 0.230 1.00 11.23 C ATOM 442 C HIS A 40 7.585 -19.506 -0.052 1.00 71.21 C ATOM 443 O HIS A 40 6.871 -20.201 0.681 1.00 11.11 O ATOM 444 CB HIS A 40 9.883 -20.250 -0.789 1.00 13.21 C ATOM 445 CG HIS A 40 10.123 -19.629 -2.139 1.00 2.41 C ATOM 446 ND1 HIS A 40 9.401 -19.924 -3.272 1.00 33.22 N ATOM 447 CD2 HIS A 40 11.100 -18.779 -2.540 1.00 24.11 C ATOM 448 CE1 HIS A 40 9.941 -19.292 -4.290 1.00 2.02 C ATOM 449 NE2 HIS A 40 10.983 -18.568 -3.912 1.00 74.11 N ATOM 0 H HIS A 40 9.288 -21.014 1.490 1.00 55.41 H new ATOM 0 HA HIS A 40 9.406 -18.372 0.172 1.00 11.23 H new ATOM 0 HB2 HIS A 40 10.851 -20.488 -0.347 1.00 13.21 H new ATOM 0 HB3 HIS A 40 9.360 -21.195 -0.938 1.00 13.21 H new ATOM 0 HD1 HIS A 40 8.583 -20.532 -3.315 1.00 33.22 H new ATOM 0 HD2 HIS A 40 11.848 -18.337 -1.899 1.00 24.11 H new ATOM 0 HE1 HIS A 40 9.580 -19.355 -5.306 1.00 2.02 H new ATOM 457 N GLU A 41 7.114 -18.789 -1.042 1.00 3.12 N ATOM 458 CA GLU A 41 5.705 -18.823 -1.479 1.00 62.42 C ATOM 459 C GLU A 41 5.191 -20.279 -1.630 1.00 43.21 C ATOM 460 O GLU A 41 4.098 -20.636 -1.149 1.00 50.24 O ATOM 461 CB GLU A 41 5.588 -18.071 -2.821 1.00 74.32 C ATOM 462 CG GLU A 41 5.535 -16.542 -2.726 1.00 74.22 C ATOM 463 CD GLU A 41 6.498 -15.946 -1.727 1.00 60.20 C ATOM 464 OE1 GLU A 41 7.717 -15.829 -2.018 1.00 12.54 O ATOM 465 OE2 GLU A 41 6.043 -15.602 -0.608 1.00 31.23 O ATOM 0 H GLU A 41 7.692 -18.150 -1.587 1.00 3.12 H new ATOM 0 HA GLU A 41 5.087 -18.340 -0.722 1.00 62.42 H new ATOM 0 HB2 GLU A 41 6.437 -18.348 -3.446 1.00 74.32 H new ATOM 0 HB3 GLU A 41 4.689 -18.416 -3.332 1.00 74.32 H new ATOM 0 HG2 GLU A 41 5.744 -16.121 -3.710 1.00 74.22 H new ATOM 0 HG3 GLU A 41 4.522 -16.241 -2.460 1.00 74.22 H new ATOM 472 N GLU A 42 6.010 -21.096 -2.236 1.00 15.11 N ATOM 473 CA GLU A 42 5.726 -22.500 -2.526 1.00 23.52 C ATOM 474 C GLU A 42 5.957 -23.429 -1.318 1.00 4.43 C ATOM 475 O GLU A 42 5.787 -24.646 -1.426 1.00 63.12 O ATOM 476 CB GLU A 42 6.593 -22.969 -3.724 1.00 3.44 C ATOM 477 CG GLU A 42 6.160 -22.452 -5.096 1.00 30.42 C ATOM 478 CD GLU A 42 6.195 -20.961 -5.184 1.00 1.41 C ATOM 479 OE1 GLU A 42 7.168 -20.380 -4.671 1.00 44.25 O ATOM 480 OE2 GLU A 42 5.262 -20.372 -5.727 1.00 60.11 O ATOM 0 H GLU A 42 6.932 -20.803 -2.559 1.00 15.11 H new ATOM 0 HA GLU A 42 4.666 -22.565 -2.772 1.00 23.52 H new ATOM 0 HB2 GLU A 42 7.623 -22.659 -3.547 1.00 3.44 H new ATOM 0 HB3 GLU A 42 6.588 -24.059 -3.748 1.00 3.44 H new ATOM 0 HG2 GLU A 42 6.812 -22.873 -5.861 1.00 30.42 H new ATOM 0 HG3 GLU A 42 5.150 -22.802 -5.310 1.00 30.42 H new ATOM 487 N SER A 43 6.325 -22.881 -0.184 1.00 53.13 N ATOM 488 CA SER A 43 6.528 -23.696 0.986 1.00 24.40 C ATOM 489 C SER A 43 5.191 -23.979 1.673 1.00 1.12 C ATOM 490 O SER A 43 4.451 -23.049 2.037 1.00 63.31 O ATOM 491 CB SER A 43 7.505 -23.022 1.961 1.00 62.31 C ATOM 492 OG SER A 43 8.764 -22.759 1.338 1.00 24.43 O ATOM 0 H SER A 43 6.488 -21.883 -0.049 1.00 53.13 H new ATOM 0 HA SER A 43 6.966 -24.643 0.672 1.00 24.40 H new ATOM 0 HB2 SER A 43 7.074 -22.088 2.323 1.00 62.31 H new ATOM 0 HB3 SER A 43 7.654 -23.663 2.830 1.00 62.31 H new ATOM 0 HG SER A 43 9.477 -22.803 2.009 1.00 24.43 H new ATOM 498 N ASN A 44 4.857 -25.255 1.793 1.00 71.14 N ATOM 499 CA ASN A 44 3.663 -25.666 2.517 1.00 25.10 C ATOM 500 C ASN A 44 3.920 -25.410 3.982 1.00 64.30 C ATOM 501 O ASN A 44 4.844 -25.968 4.544 1.00 35.03 O ATOM 502 CB ASN A 44 3.369 -27.165 2.296 1.00 74.30 C ATOM 503 CG ASN A 44 2.049 -27.647 2.938 1.00 2.31 C ATOM 504 OD1 ASN A 44 1.625 -27.179 3.994 1.00 3.52 O ATOM 505 ND2 ASN A 44 1.390 -28.578 2.290 1.00 25.31 N ATOM 0 H ASN A 44 5.397 -26.025 1.398 1.00 71.14 H new ATOM 0 HA ASN A 44 2.799 -25.105 2.160 1.00 25.10 H new ATOM 0 HB2 ASN A 44 3.334 -27.364 1.225 1.00 74.30 H new ATOM 0 HB3 ASN A 44 4.194 -27.750 2.702 1.00 74.30 H new ATOM 0 HD21 ASN A 44 0.507 -28.929 2.660 1.00 25.31 H new ATOM 0 HD22 ASN A 44 1.761 -28.951 1.416 1.00 25.31 H new ATOM 512 N LEU A 45 3.101 -24.594 4.594 1.00 30.41 N ATOM 513 CA LEU A 45 3.343 -24.166 5.962 1.00 42.32 C ATOM 514 C LEU A 45 3.077 -25.252 6.965 1.00 4.24 C ATOM 515 O LEU A 45 3.830 -25.410 7.917 1.00 62.23 O ATOM 516 CB LEU A 45 2.528 -22.940 6.292 1.00 54.23 C ATOM 517 CG LEU A 45 2.771 -21.743 5.401 1.00 52.20 C ATOM 518 CD1 LEU A 45 1.934 -20.575 5.868 1.00 33.32 C ATOM 519 CD2 LEU A 45 4.250 -21.373 5.379 1.00 72.11 C ATOM 0 H LEU A 45 2.257 -24.208 4.172 1.00 30.41 H new ATOM 0 HA LEU A 45 4.403 -23.920 6.027 1.00 42.32 H new ATOM 0 HB2 LEU A 45 1.471 -23.202 6.240 1.00 54.23 H new ATOM 0 HB3 LEU A 45 2.735 -22.653 7.323 1.00 54.23 H new ATOM 0 HG LEU A 45 2.477 -22.001 4.384 1.00 52.20 H new ATOM 0 HD11 LEU A 45 2.114 -19.716 5.221 1.00 33.32 H new ATOM 0 HD12 LEU A 45 0.879 -20.844 5.827 1.00 33.32 H new ATOM 0 HD13 LEU A 45 2.204 -20.320 6.893 1.00 33.32 H new ATOM 0 HD21 LEU A 45 4.399 -20.509 4.731 1.00 72.11 H new ATOM 0 HD22 LEU A 45 4.579 -21.130 6.389 1.00 72.11 H new ATOM 0 HD23 LEU A 45 4.830 -22.215 5.001 1.00 72.11 H new ATOM 531 N ILE A 46 2.041 -26.018 6.736 1.00 22.33 N ATOM 532 CA ILE A 46 1.668 -27.093 7.659 1.00 1.43 C ATOM 533 C ILE A 46 2.738 -28.179 7.623 1.00 12.34 C ATOM 534 O ILE A 46 3.123 -28.737 8.639 1.00 34.45 O ATOM 535 CB ILE A 46 0.267 -27.677 7.319 1.00 44.24 C ATOM 536 CG1 ILE A 46 -0.781 -26.549 7.358 1.00 13.42 C ATOM 537 CG2 ILE A 46 -0.109 -28.802 8.292 1.00 62.14 C ATOM 538 CD1 ILE A 46 -2.202 -26.995 7.060 1.00 55.14 C ATOM 0 H ILE A 46 1.432 -25.928 5.922 1.00 22.33 H new ATOM 0 HA ILE A 46 1.604 -26.684 8.667 1.00 1.43 H new ATOM 0 HB ILE A 46 0.295 -28.104 6.317 1.00 44.24 H new ATOM 0 HG12 ILE A 46 -0.759 -26.085 8.344 1.00 13.42 H new ATOM 0 HG13 ILE A 46 -0.497 -25.782 6.638 1.00 13.42 H new ATOM 0 HG21 ILE A 46 -1.093 -29.193 8.033 1.00 62.14 H new ATOM 0 HG22 ILE A 46 0.629 -29.602 8.226 1.00 62.14 H new ATOM 0 HG23 ILE A 46 -0.130 -28.411 9.309 1.00 62.14 H new ATOM 0 HD11 ILE A 46 -2.871 -26.136 7.110 1.00 55.14 H new ATOM 0 HD12 ILE A 46 -2.245 -27.431 6.062 1.00 55.14 H new ATOM 0 HD13 ILE A 46 -2.511 -27.739 7.794 1.00 55.14 H new ATOM 550 N GLN A 47 3.263 -28.381 6.440 1.00 44.43 N ATOM 551 CA GLN A 47 4.334 -29.331 6.192 1.00 24.23 C ATOM 552 C GLN A 47 5.701 -28.776 6.621 1.00 34.40 C ATOM 553 O GLN A 47 6.696 -29.487 6.610 1.00 54.02 O ATOM 554 CB GLN A 47 4.335 -29.728 4.712 1.00 33.12 C ATOM 555 CG GLN A 47 3.265 -30.735 4.320 1.00 3.21 C ATOM 556 CD GLN A 47 3.342 -32.018 5.123 1.00 71.01 C ATOM 557 OE1 GLN A 47 2.713 -32.155 6.150 1.00 54.14 O ATOM 558 NE2 GLN A 47 4.128 -32.956 4.664 1.00 45.21 N ATOM 0 H GLN A 47 2.957 -27.884 5.604 1.00 44.43 H new ATOM 0 HA GLN A 47 4.154 -30.219 6.798 1.00 24.23 H new ATOM 0 HB2 GLN A 47 4.206 -28.829 4.109 1.00 33.12 H new ATOM 0 HB3 GLN A 47 5.312 -30.142 4.462 1.00 33.12 H new ATOM 0 HG2 GLN A 47 2.282 -30.285 4.457 1.00 3.21 H new ATOM 0 HG3 GLN A 47 3.364 -30.969 3.260 1.00 3.21 H new ATOM 0 HE21 GLN A 47 4.644 -32.810 3.796 1.00 45.21 H new ATOM 0 HE22 GLN A 47 4.225 -33.834 5.173 1.00 45.21 H new ATOM 567 N ALA A 48 5.737 -27.496 6.950 1.00 63.42 N ATOM 568 CA ALA A 48 6.962 -26.846 7.377 1.00 22.14 C ATOM 569 C ALA A 48 7.023 -26.758 8.902 1.00 40.51 C ATOM 570 O ALA A 48 8.014 -27.141 9.512 1.00 23.21 O ATOM 571 CB ALA A 48 7.078 -25.454 6.754 1.00 23.03 C ATOM 0 H ALA A 48 4.923 -26.882 6.929 1.00 63.42 H new ATOM 0 HA ALA A 48 7.804 -27.447 7.035 1.00 22.14 H new ATOM 0 HB1 ALA A 48 8.003 -24.983 7.086 1.00 23.03 H new ATOM 0 HB2 ALA A 48 7.085 -25.541 5.668 1.00 23.03 H new ATOM 0 HB3 ALA A 48 6.229 -24.845 7.064 1.00 23.03 H new ATOM 577 N GLY A 49 5.960 -26.253 9.507 1.00 52.41 N ATOM 578 CA GLY A 49 5.931 -26.122 10.949 1.00 63.03 C ATOM 579 C GLY A 49 4.813 -25.220 11.420 1.00 75.44 C ATOM 580 O GLY A 49 5.022 -24.325 12.233 1.00 1.01 O ATOM 0 H GLY A 49 5.119 -25.932 9.028 1.00 52.41 H new ATOM 0 HA2 GLY A 49 5.814 -27.108 11.399 1.00 63.03 H new ATOM 0 HA3 GLY A 49 6.885 -25.725 11.295 1.00 63.03 H new ATOM 584 N LEU A 50 3.634 -25.454 10.912 1.00 32.33 N ATOM 585 CA LEU A 50 2.468 -24.675 11.264 1.00 44.35 C ATOM 586 C LEU A 50 1.351 -25.641 11.493 1.00 14.43 C ATOM 587 O LEU A 50 0.974 -26.375 10.587 1.00 50.20 O ATOM 588 CB LEU A 50 2.088 -23.728 10.108 1.00 53.12 C ATOM 589 CG LEU A 50 1.046 -22.651 10.422 1.00 64.12 C ATOM 590 CD1 LEU A 50 1.667 -21.537 11.242 1.00 44.31 C ATOM 591 CD2 LEU A 50 0.418 -22.103 9.152 1.00 73.00 C ATOM 0 H LEU A 50 3.449 -26.195 10.236 1.00 32.33 H new ATOM 0 HA LEU A 50 2.666 -24.072 12.150 1.00 44.35 H new ATOM 0 HB2 LEU A 50 2.995 -23.234 9.759 1.00 53.12 H new ATOM 0 HB3 LEU A 50 1.716 -24.332 9.280 1.00 53.12 H new ATOM 0 HG LEU A 50 0.252 -23.111 11.009 1.00 64.12 H new ATOM 0 HD11 LEU A 50 0.913 -20.780 11.457 1.00 44.31 H new ATOM 0 HD12 LEU A 50 2.049 -21.944 12.178 1.00 44.31 H new ATOM 0 HD13 LEU A 50 2.486 -21.086 10.681 1.00 44.31 H new ATOM 0 HD21 LEU A 50 -0.317 -21.341 9.409 1.00 73.00 H new ATOM 0 HD22 LEU A 50 1.192 -21.663 8.524 1.00 73.00 H new ATOM 0 HD23 LEU A 50 -0.072 -22.912 8.610 1.00 73.00 H new ATOM 603 N ASP A 51 0.862 -25.678 12.697 1.00 71.31 N ATOM 604 CA ASP A 51 -0.241 -26.518 13.048 1.00 14.20 C ATOM 605 C ASP A 51 -1.518 -25.875 12.554 1.00 35.12 C ATOM 606 O ASP A 51 -1.502 -24.760 11.990 1.00 31.21 O ATOM 607 CB ASP A 51 -0.278 -26.729 14.564 1.00 60.42 C ATOM 608 CG ASP A 51 -0.216 -25.424 15.308 1.00 23.24 C ATOM 609 OD1 ASP A 51 0.915 -24.928 15.545 1.00 51.31 O ATOM 610 OD2 ASP A 51 -1.261 -24.858 15.612 1.00 61.20 O ATOM 0 H ASP A 51 1.223 -25.119 13.470 1.00 71.31 H new ATOM 0 HA ASP A 51 -0.132 -27.496 12.580 1.00 14.20 H new ATOM 0 HB2 ASP A 51 -1.190 -27.260 14.836 1.00 60.42 H new ATOM 0 HB3 ASP A 51 0.559 -27.359 14.864 1.00 60.42 H new ATOM 667 N ILE A 53 -3.968 -25.019 14.379 1.00 34.54 N ATOM 668 CA ILE A 53 -4.453 -24.140 15.372 1.00 31.43 C ATOM 669 C ILE A 53 -3.875 -22.784 15.078 1.00 43.51 C ATOM 670 O ILE A 53 -4.556 -21.766 15.187 1.00 14.31 O ATOM 671 CB ILE A 53 -4.127 -24.646 16.792 1.00 42.21 C ATOM 672 CG1 ILE A 53 -4.851 -25.994 17.037 1.00 1.45 C ATOM 673 CG2 ILE A 53 -4.499 -23.617 17.864 1.00 4.04 C ATOM 674 CD1 ILE A 53 -6.377 -25.956 16.813 1.00 61.33 C ATOM 0 HA ILE A 53 -5.541 -24.084 15.347 1.00 31.43 H new ATOM 0 HB ILE A 53 -3.050 -24.798 16.865 1.00 42.21 H new ATOM 0 HG12 ILE A 53 -4.419 -26.748 16.378 1.00 1.45 H new ATOM 0 HG13 ILE A 53 -4.655 -26.315 18.060 1.00 1.45 H new ATOM 0 HG21 ILE A 53 -4.253 -24.013 18.849 1.00 4.04 H new ATOM 0 HG22 ILE A 53 -3.941 -22.696 17.694 1.00 4.04 H new ATOM 0 HG23 ILE A 53 -5.568 -23.409 17.813 1.00 4.04 H new ATOM 0 HD11 ILE A 53 -6.798 -26.942 17.008 1.00 61.33 H new ATOM 0 HD12 ILE A 53 -6.826 -25.230 17.490 1.00 61.33 H new ATOM 0 HD13 ILE A 53 -6.586 -25.669 15.783 1.00 61.33 H new ATOM 686 N ARG A 54 -2.629 -22.780 14.637 1.00 23.54 N ATOM 687 CA ARG A 54 -2.009 -21.609 14.138 1.00 31.04 C ATOM 688 C ARG A 54 -2.661 -21.139 12.856 1.00 13.53 C ATOM 689 O ARG A 54 -2.872 -19.947 12.680 1.00 11.25 O ATOM 690 CB ARG A 54 -0.569 -21.837 13.931 1.00 43.50 C ATOM 691 CG ARG A 54 0.205 -21.763 15.197 1.00 70.55 C ATOM 692 CD ARG A 54 1.621 -21.919 14.873 1.00 45.11 C ATOM 693 NE ARG A 54 2.525 -21.581 15.972 1.00 12.22 N ATOM 694 CZ ARG A 54 3.272 -22.446 16.644 1.00 13.50 C ATOM 695 NH1 ARG A 54 2.968 -23.745 16.646 1.00 0.25 N ATOM 696 NH2 ARG A 54 4.293 -21.993 17.375 1.00 41.24 N ATOM 0 H ARG A 54 -2.031 -23.607 14.624 1.00 23.54 H new ATOM 0 HA ARG A 54 -2.137 -20.823 14.882 1.00 31.04 H new ATOM 0 HB2 ARG A 54 -0.421 -22.816 13.475 1.00 43.50 H new ATOM 0 HB3 ARG A 54 -0.184 -21.097 13.229 1.00 43.50 H new ATOM 0 HG2 ARG A 54 0.031 -20.809 15.694 1.00 70.55 H new ATOM 0 HG3 ARG A 54 -0.116 -22.544 15.886 1.00 70.55 H new ATOM 0 HD2 ARG A 54 1.802 -22.951 14.572 1.00 45.11 H new ATOM 0 HD3 ARG A 54 1.858 -21.290 14.015 1.00 45.11 H new ATOM 0 HE ARG A 54 2.586 -20.600 16.244 1.00 12.22 H new ATOM 0 HH11 ARG A 54 2.156 -24.079 16.128 1.00 0.25 H new ATOM 0 HH12 ARG A 54 3.548 -24.404 17.166 1.00 0.25 H new ATOM 0 HH21 ARG A 54 4.490 -20.993 17.411 1.00 41.24 H new ATOM 0 HH22 ARG A 54 4.876 -22.647 17.897 1.00 41.24 H new ATOM 710 N LEU A 55 -3.002 -22.087 11.979 1.00 45.23 N ATOM 711 CA LEU A 55 -3.700 -21.807 10.701 1.00 15.04 C ATOM 712 C LEU A 55 -5.029 -21.079 11.016 1.00 12.22 C ATOM 713 O LEU A 55 -5.297 -19.997 10.496 1.00 53.15 O ATOM 714 CB LEU A 55 -3.978 -23.167 9.986 1.00 42.13 C ATOM 715 CG LEU A 55 -4.415 -23.224 8.477 1.00 72.03 C ATOM 716 CD1 LEU A 55 -5.541 -22.307 8.108 1.00 2.20 C ATOM 717 CD2 LEU A 55 -3.273 -23.068 7.524 1.00 13.35 C ATOM 0 H LEU A 55 -2.805 -23.077 12.127 1.00 45.23 H new ATOM 0 HA LEU A 55 -3.094 -21.176 10.051 1.00 15.04 H new ATOM 0 HB2 LEU A 55 -3.071 -23.764 10.077 1.00 42.13 H new ATOM 0 HB3 LEU A 55 -4.753 -23.675 10.560 1.00 42.13 H new ATOM 0 HG LEU A 55 -4.805 -24.237 8.374 1.00 72.03 H new ATOM 0 HD11 LEU A 55 -5.769 -22.419 7.048 1.00 2.20 H new ATOM 0 HD12 LEU A 55 -6.423 -22.558 8.697 1.00 2.20 H new ATOM 0 HD13 LEU A 55 -5.251 -21.276 8.310 1.00 2.20 H new ATOM 0 HD21 LEU A 55 -3.644 -23.117 6.500 1.00 13.35 H new ATOM 0 HD22 LEU A 55 -2.790 -22.105 7.689 1.00 13.35 H new ATOM 0 HD23 LEU A 55 -2.551 -23.868 7.687 1.00 13.35 H new ATOM 729 N MET A 56 -5.834 -21.668 11.890 1.00 23.15 N ATOM 730 CA MET A 56 -7.119 -21.076 12.272 1.00 51.43 C ATOM 731 C MET A 56 -6.926 -19.774 13.019 1.00 4.40 C ATOM 732 O MET A 56 -7.701 -18.825 12.842 1.00 41.20 O ATOM 733 CB MET A 56 -7.979 -22.097 13.037 1.00 40.30 C ATOM 734 CG MET A 56 -9.359 -21.618 13.550 1.00 23.13 C ATOM 735 SD MET A 56 -9.288 -20.538 14.985 1.00 63.30 S ATOM 736 CE MET A 56 -8.061 -21.395 15.947 1.00 70.13 C ATOM 0 H MET A 56 -5.625 -22.554 12.350 1.00 23.15 H new ATOM 0 HA MET A 56 -7.671 -20.819 11.368 1.00 51.43 H new ATOM 0 HB2 MET A 56 -8.140 -22.957 12.387 1.00 40.30 H new ATOM 0 HB3 MET A 56 -7.404 -22.448 13.894 1.00 40.30 H new ATOM 0 HG2 MET A 56 -9.871 -21.095 12.742 1.00 23.13 H new ATOM 0 HG3 MET A 56 -9.963 -22.491 13.798 1.00 23.13 H new ATOM 0 HE1 MET A 56 -8.115 -21.064 16.984 1.00 70.13 H new ATOM 0 HE2 MET A 56 -8.245 -22.468 15.898 1.00 70.13 H new ATOM 0 HE3 MET A 56 -7.070 -21.178 15.549 1.00 70.13 H new ATOM 746 N ARG A 57 -5.884 -19.716 13.829 1.00 13.10 N ATOM 747 CA ARG A 57 -5.519 -18.511 14.522 1.00 64.02 C ATOM 748 C ARG A 57 -5.282 -17.390 13.517 1.00 14.01 C ATOM 749 O ARG A 57 -5.673 -16.249 13.730 1.00 64.31 O ATOM 750 CB ARG A 57 -4.257 -18.731 15.232 1.00 65.25 C ATOM 751 CG ARG A 57 -3.789 -17.551 16.017 1.00 13.33 C ATOM 752 CD ARG A 57 -2.423 -17.824 16.457 1.00 54.34 C ATOM 753 NE ARG A 57 -1.509 -17.916 15.293 1.00 34.14 N ATOM 754 CZ ARG A 57 -0.181 -18.127 15.321 1.00 11.42 C ATOM 755 NH1 ARG A 57 0.472 -18.270 16.464 1.00 25.13 N ATOM 756 NH2 ARG A 57 0.486 -18.190 14.183 1.00 25.10 N ATOM 0 H ARG A 57 -5.271 -20.509 14.020 1.00 13.10 H new ATOM 0 HA ARG A 57 -6.320 -18.245 15.212 1.00 64.02 H new ATOM 0 HB2 ARG A 57 -4.374 -19.580 15.906 1.00 65.25 H new ATOM 0 HB3 ARG A 57 -3.488 -19.002 14.509 1.00 65.25 H new ATOM 0 HG2 ARG A 57 -3.821 -16.648 15.407 1.00 13.33 H new ATOM 0 HG3 ARG A 57 -4.440 -17.379 16.874 1.00 13.33 H new ATOM 0 HD2 ARG A 57 -2.087 -17.034 17.129 1.00 54.34 H new ATOM 0 HD3 ARG A 57 -2.396 -18.756 17.022 1.00 54.34 H new ATOM 0 HE ARG A 57 -1.933 -17.808 14.372 1.00 34.14 H new ATOM 0 HH11 ARG A 57 -0.032 -18.221 17.349 1.00 25.13 H new ATOM 0 HH12 ARG A 57 1.479 -18.429 16.459 1.00 25.13 H new ATOM 0 HH21 ARG A 57 -0.006 -18.079 13.297 1.00 25.10 H new ATOM 0 HH22 ARG A 57 1.493 -18.350 14.190 1.00 25.10 H new ATOM 770 N TRP A 58 -4.629 -17.747 12.413 1.00 12.22 N ATOM 771 CA TRP A 58 -4.372 -16.827 11.330 1.00 31.22 C ATOM 772 C TRP A 58 -5.662 -16.348 10.700 1.00 22.42 C ATOM 773 O TRP A 58 -5.759 -15.201 10.277 1.00 72.15 O ATOM 774 CB TRP A 58 -3.420 -17.425 10.278 1.00 71.43 C ATOM 775 CG TRP A 58 -1.975 -17.400 10.681 1.00 34.44 C ATOM 776 CD1 TRP A 58 -1.122 -18.462 10.775 1.00 0.45 C ATOM 777 CD2 TRP A 58 -1.213 -16.239 11.043 1.00 63.10 C ATOM 778 NE1 TRP A 58 0.119 -18.033 11.186 1.00 21.31 N ATOM 779 CE2 TRP A 58 0.089 -16.669 11.343 1.00 50.42 C ATOM 780 CE3 TRP A 58 -1.510 -14.874 11.135 1.00 24.42 C ATOM 781 CZ2 TRP A 58 1.093 -15.785 11.731 1.00 74.31 C ATOM 782 CZ3 TRP A 58 -0.516 -14.001 11.517 1.00 51.31 C ATOM 783 CH2 TRP A 58 0.770 -14.459 11.810 1.00 51.22 C ATOM 0 H TRP A 58 -4.266 -18.687 12.253 1.00 12.22 H new ATOM 0 HA TRP A 58 -3.868 -15.960 11.757 1.00 31.22 H new ATOM 0 HB2 TRP A 58 -3.714 -18.456 10.081 1.00 71.43 H new ATOM 0 HB3 TRP A 58 -3.536 -16.876 9.344 1.00 71.43 H new ATOM 0 HD1 TRP A 58 -1.383 -19.487 10.559 1.00 0.45 H new ATOM 0 HE1 TRP A 58 0.929 -18.631 11.348 1.00 21.31 H new ATOM 0 HE3 TRP A 58 -2.502 -14.512 10.910 1.00 24.42 H new ATOM 0 HZ2 TRP A 58 2.089 -16.134 11.961 1.00 74.31 H new ATOM 0 HZ3 TRP A 58 -0.734 -12.946 11.591 1.00 51.31 H new ATOM 0 HH2 TRP A 58 1.528 -13.749 12.106 1.00 51.22 H new ATOM 794 N LEU A 59 -6.683 -17.194 10.694 1.00 54.22 N ATOM 795 CA LEU A 59 -7.963 -16.798 10.157 1.00 51.13 C ATOM 796 C LEU A 59 -8.617 -15.743 11.058 1.00 61.34 C ATOM 797 O LEU A 59 -9.472 -14.971 10.616 1.00 54.53 O ATOM 798 CB LEU A 59 -8.903 -17.976 9.940 1.00 64.11 C ATOM 799 CG LEU A 59 -10.088 -17.643 9.053 1.00 32.43 C ATOM 800 CD1 LEU A 59 -9.629 -17.261 7.652 1.00 23.01 C ATOM 801 CD2 LEU A 59 -11.020 -18.786 8.992 1.00 3.14 C ATOM 0 H LEU A 59 -6.644 -18.148 11.053 1.00 54.22 H new ATOM 0 HA LEU A 59 -7.774 -16.365 9.175 1.00 51.13 H new ATOM 0 HB2 LEU A 59 -8.345 -18.800 9.495 1.00 64.11 H new ATOM 0 HB3 LEU A 59 -9.268 -18.324 10.907 1.00 64.11 H new ATOM 0 HG LEU A 59 -10.607 -16.788 9.486 1.00 32.43 H new ATOM 0 HD11 LEU A 59 -10.497 -17.027 7.036 1.00 23.01 H new ATOM 0 HD12 LEU A 59 -8.978 -16.389 7.708 1.00 23.01 H new ATOM 0 HD13 LEU A 59 -9.083 -18.094 7.208 1.00 23.01 H new ATOM 0 HD21 LEU A 59 -11.865 -18.533 8.352 1.00 3.14 H new ATOM 0 HD22 LEU A 59 -10.504 -19.655 8.584 1.00 3.14 H new ATOM 0 HD23 LEU A 59 -11.380 -19.016 9.995 1.00 3.14 H new ATOM 813 N HIS A 60 -8.213 -15.709 12.323 1.00 40.04 N ATOM 814 CA HIS A 60 -8.664 -14.661 13.250 1.00 64.12 C ATOM 815 C HIS A 60 -7.984 -13.358 12.911 1.00 72.05 C ATOM 816 O HIS A 60 -8.452 -12.282 13.254 1.00 73.15 O ATOM 817 CB HIS A 60 -8.374 -15.005 14.729 1.00 72.31 C ATOM 818 CG HIS A 60 -9.271 -16.029 15.296 1.00 53.44 C ATOM 819 ND1 HIS A 60 -10.561 -16.184 15.087 1.00 40.11 N flip ATOM 820 CD2 HIS A 60 -8.907 -16.992 16.203 1.00 4.24 C flip ATOM 821 CE1 HIS A 60 -11.048 -17.234 15.842 1.00 3.41 C flip ATOM 822 NE2 HIS A 60 -10.005 -17.694 16.506 1.00 32.24 N flip ATOM 0 H HIS A 60 -7.576 -16.390 12.735 1.00 40.04 H new ATOM 0 HA HIS A 60 -9.745 -14.579 13.134 1.00 64.12 H new ATOM 0 HB2 HIS A 60 -7.344 -15.352 14.815 1.00 72.31 H new ATOM 0 HB3 HIS A 60 -8.455 -14.096 15.325 1.00 72.31 H new ATOM 0 HD2 HIS A 60 -7.916 -17.154 16.600 1.00 4.24 H new ATOM 0 HE1 HIS A 60 -12.064 -17.599 15.880 1.00 3.41 H new ATOM 0 HE2 HIS A 60 -10.032 -18.476 17.160 1.00 32.24 H new ATOM 830 N TRP A 61 -6.871 -13.454 12.258 1.00 63.23 N ATOM 831 CA TRP A 61 -6.165 -12.301 11.851 1.00 23.13 C ATOM 832 C TRP A 61 -6.760 -11.799 10.539 1.00 13.24 C ATOM 833 O TRP A 61 -7.241 -10.678 10.486 1.00 33.22 O ATOM 834 CB TRP A 61 -4.664 -12.598 11.760 1.00 23.01 C ATOM 835 CG TRP A 61 -3.803 -11.412 11.453 1.00 63.12 C ATOM 836 CD1 TRP A 61 -3.545 -10.344 12.266 1.00 34.24 C ATOM 837 CD2 TRP A 61 -3.047 -11.199 10.265 1.00 43.02 C ATOM 838 NE1 TRP A 61 -2.694 -9.470 11.637 1.00 33.33 N ATOM 839 CE2 TRP A 61 -2.371 -9.976 10.410 1.00 22.33 C ATOM 840 CE3 TRP A 61 -2.881 -11.921 9.086 1.00 44.15 C ATOM 841 CZ2 TRP A 61 -1.545 -9.464 9.425 1.00 63.20 C ATOM 842 CZ3 TRP A 61 -2.057 -11.409 8.112 1.00 54.43 C ATOM 843 CH2 TRP A 61 -1.401 -10.194 8.290 1.00 12.51 C ATOM 0 H TRP A 61 -6.433 -14.337 11.996 1.00 63.23 H new ATOM 0 HA TRP A 61 -6.269 -11.505 12.588 1.00 23.13 H new ATOM 0 HB2 TRP A 61 -4.336 -13.031 12.705 1.00 23.01 H new ATOM 0 HB3 TRP A 61 -4.504 -13.353 10.991 1.00 23.01 H new ATOM 0 HD1 TRP A 61 -3.951 -10.208 13.257 1.00 34.24 H new ATOM 0 HE1 TRP A 61 -2.358 -8.587 12.022 1.00 33.33 H new ATOM 0 HE3 TRP A 61 -3.389 -12.863 8.940 1.00 44.15 H new ATOM 0 HZ2 TRP A 61 -1.035 -8.521 9.554 1.00 63.20 H new ATOM 0 HZ3 TRP A 61 -1.916 -11.959 7.193 1.00 54.43 H new ATOM 0 HH2 TRP A 61 -0.760 -9.822 7.504 1.00 12.51 H new ATOM 854 N PHE A 62 -6.815 -12.680 9.538 1.00 33.52 N ATOM 855 CA PHE A 62 -7.337 -12.360 8.192 1.00 13.23 C ATOM 856 C PHE A 62 -8.742 -11.770 8.210 1.00 4.10 C ATOM 857 O PHE A 62 -8.952 -10.657 7.748 1.00 64.54 O ATOM 858 CB PHE A 62 -7.333 -13.593 7.290 1.00 1.04 C ATOM 859 CG PHE A 62 -5.978 -14.119 6.981 1.00 43.01 C ATOM 860 CD1 PHE A 62 -5.022 -13.295 6.430 1.00 42.21 C ATOM 861 CD2 PHE A 62 -5.655 -15.433 7.247 1.00 61.52 C ATOM 862 CE1 PHE A 62 -3.759 -13.786 6.149 1.00 32.31 C ATOM 863 CE2 PHE A 62 -4.405 -15.925 6.972 1.00 40.45 C ATOM 864 CZ PHE A 62 -3.456 -15.103 6.424 1.00 51.10 C ATOM 0 H PHE A 62 -6.498 -13.645 9.631 1.00 33.52 H new ATOM 0 HA PHE A 62 -6.662 -11.601 7.797 1.00 13.23 H new ATOM 0 HB2 PHE A 62 -7.916 -14.381 7.768 1.00 1.04 H new ATOM 0 HB3 PHE A 62 -7.837 -13.347 6.355 1.00 1.04 H new ATOM 0 HD1 PHE A 62 -5.259 -12.263 6.217 1.00 42.21 H new ATOM 0 HD2 PHE A 62 -6.399 -16.086 7.679 1.00 61.52 H new ATOM 0 HE1 PHE A 62 -3.012 -13.139 5.715 1.00 32.31 H new ATOM 0 HE2 PHE A 62 -4.169 -16.957 7.187 1.00 40.45 H new ATOM 0 HZ PHE A 62 -2.470 -15.487 6.207 1.00 51.10 H new ATOM 874 N ARG A 63 -9.690 -12.514 8.764 1.00 4.22 N ATOM 875 CA ARG A 63 -11.102 -12.106 8.804 1.00 33.31 C ATOM 876 C ARG A 63 -11.309 -10.771 9.457 1.00 51.53 C ATOM 877 O ARG A 63 -12.123 -9.969 9.030 1.00 71.34 O ATOM 878 CB ARG A 63 -11.885 -13.119 9.548 1.00 55.21 C ATOM 879 CG ARG A 63 -12.029 -14.389 8.781 1.00 10.10 C ATOM 880 CD ARG A 63 -12.887 -15.309 9.536 1.00 31.25 C ATOM 881 NE ARG A 63 -12.241 -15.839 10.746 1.00 0.40 N ATOM 882 CZ ARG A 63 -12.830 -16.652 11.642 1.00 45.13 C ATOM 883 NH1 ARG A 63 -14.122 -16.979 11.506 1.00 63.25 N ATOM 884 NH2 ARG A 63 -12.131 -17.134 12.665 1.00 15.50 N ATOM 0 H ARG A 63 -9.510 -13.418 9.200 1.00 4.22 H new ATOM 0 HA ARG A 63 -11.436 -12.024 7.770 1.00 33.31 H new ATOM 0 HB2 ARG A 63 -11.398 -13.325 10.501 1.00 55.21 H new ATOM 0 HB3 ARG A 63 -12.873 -12.719 9.775 1.00 55.21 H new ATOM 0 HG2 ARG A 63 -12.462 -14.190 7.801 1.00 10.10 H new ATOM 0 HG3 ARG A 63 -11.051 -14.840 8.612 1.00 10.10 H new ATOM 0 HD2 ARG A 63 -13.804 -14.792 9.818 1.00 31.25 H new ATOM 0 HD3 ARG A 63 -13.175 -16.140 8.891 1.00 31.25 H new ATOM 0 HE ARG A 63 -11.273 -15.570 10.919 1.00 0.40 H new ATOM 0 HH11 ARG A 63 -14.661 -16.612 10.722 1.00 63.25 H new ATOM 0 HH12 ARG A 63 -14.566 -17.595 12.186 1.00 63.25 H new ATOM 0 HH21 ARG A 63 -11.147 -16.888 12.771 1.00 15.50 H new ATOM 0 HH22 ARG A 63 -12.579 -17.750 13.343 1.00 15.50 H new ATOM 898 N LYS A 64 -10.506 -10.530 10.444 1.00 12.53 N ATOM 899 CA LYS A 64 -10.582 -9.359 11.276 1.00 1.44 C ATOM 900 C LYS A 64 -9.965 -8.156 10.554 1.00 75.33 C ATOM 901 O LYS A 64 -10.190 -7.016 10.923 1.00 11.22 O ATOM 902 CB LYS A 64 -9.786 -9.682 12.502 1.00 24.32 C ATOM 903 CG LYS A 64 -9.914 -8.757 13.681 1.00 34.23 C ATOM 904 CD LYS A 64 -8.946 -9.198 14.778 1.00 34.13 C ATOM 905 CE LYS A 64 -7.483 -8.739 14.512 1.00 34.52 C ATOM 906 NZ LYS A 64 -6.925 -9.174 13.190 1.00 52.14 N ATOM 0 H LYS A 64 -9.750 -11.163 10.707 1.00 12.53 H new ATOM 0 HA LYS A 64 -11.614 -9.103 11.517 1.00 1.44 H new ATOM 0 HB2 LYS A 64 -10.065 -10.683 12.829 1.00 24.32 H new ATOM 0 HB3 LYS A 64 -8.734 -9.721 12.219 1.00 24.32 H new ATOM 0 HG2 LYS A 64 -9.697 -7.732 13.379 1.00 34.23 H new ATOM 0 HG3 LYS A 64 -10.937 -8.768 14.057 1.00 34.23 H new ATOM 0 HD2 LYS A 64 -9.280 -8.795 15.734 1.00 34.13 H new ATOM 0 HD3 LYS A 64 -8.971 -10.284 14.863 1.00 34.13 H new ATOM 0 HE2 LYS A 64 -7.441 -7.651 14.570 1.00 34.52 H new ATOM 0 HE3 LYS A 64 -6.844 -9.125 15.306 1.00 34.52 H new ATOM 0 HZ1 LYS A 64 -5.898 -9.316 13.276 1.00 52.14 H new ATOM 0 HZ2 LYS A 64 -7.375 -10.066 12.900 1.00 52.14 H new ATOM 0 HZ3 LYS A 64 -7.115 -8.442 12.476 1.00 52.14 H new ATOM 920 N ASN A 65 -9.162 -8.440 9.549 1.00 25.31 N ATOM 921 CA ASN A 65 -8.524 -7.407 8.737 1.00 63.01 C ATOM 922 C ASN A 65 -9.325 -7.196 7.461 1.00 35.02 C ATOM 923 O ASN A 65 -8.945 -6.431 6.586 1.00 12.52 O ATOM 924 CB ASN A 65 -7.057 -7.774 8.390 1.00 24.52 C ATOM 925 CG ASN A 65 -6.073 -7.690 9.565 1.00 22.01 C ATOM 926 OD1 ASN A 65 -6.434 -7.889 10.760 1.00 62.22 O ATOM 927 ND2 ASN A 65 -4.824 -7.419 9.258 1.00 31.24 N ATOM 0 H ASN A 65 -8.929 -9.392 9.267 1.00 25.31 H new ATOM 0 HA ASN A 65 -8.504 -6.485 9.317 1.00 63.01 H new ATOM 0 HB2 ASN A 65 -7.037 -8.788 7.990 1.00 24.52 H new ATOM 0 HB3 ASN A 65 -6.710 -7.112 7.597 1.00 24.52 H new ATOM 0 HD21 ASN A 65 -4.118 -7.365 9.993 1.00 31.24 H new ATOM 0 HD22 ASN A 65 -4.560 -7.263 8.285 1.00 31.24 H new ATOM 934 N GLY A 66 -10.446 -7.894 7.361 1.00 64.25 N ATOM 935 CA GLY A 66 -11.307 -7.743 6.218 1.00 23.42 C ATOM 936 C GLY A 66 -11.087 -8.799 5.153 1.00 42.35 C ATOM 937 O GLY A 66 -11.650 -8.714 4.056 1.00 63.24 O ATOM 0 H GLY A 66 -10.772 -8.564 8.057 1.00 64.25 H new ATOM 0 HA2 GLY A 66 -12.345 -7.781 6.547 1.00 23.42 H new ATOM 0 HA3 GLY A 66 -11.147 -6.758 5.780 1.00 23.42 H new ATOM 941 N TYR A 67 -10.288 -9.793 5.442 1.00 13.12 N ATOM 942 CA TYR A 67 -10.046 -10.850 4.485 1.00 34.10 C ATOM 943 C TYR A 67 -11.063 -11.939 4.622 1.00 61.53 C ATOM 944 O TYR A 67 -11.095 -12.676 5.608 1.00 21.12 O ATOM 945 CB TYR A 67 -8.606 -11.382 4.547 1.00 54.14 C ATOM 946 CG TYR A 67 -7.629 -10.353 4.089 1.00 24.51 C ATOM 947 CD1 TYR A 67 -7.140 -9.417 4.970 1.00 53.23 C ATOM 948 CD2 TYR A 67 -7.253 -10.275 2.758 1.00 54.43 C ATOM 949 CE1 TYR A 67 -6.302 -8.424 4.553 1.00 2.21 C ATOM 950 CE2 TYR A 67 -6.424 -9.272 2.314 1.00 11.42 C ATOM 951 CZ TYR A 67 -5.951 -8.339 3.233 1.00 34.34 C ATOM 952 OH TYR A 67 -5.175 -7.303 2.820 1.00 42.21 O ATOM 0 H TYR A 67 -9.794 -9.896 6.328 1.00 13.12 H new ATOM 0 HA TYR A 67 -10.159 -10.420 3.490 1.00 34.10 H new ATOM 0 HB2 TYR A 67 -8.370 -11.682 5.568 1.00 54.14 H new ATOM 0 HB3 TYR A 67 -8.518 -12.273 3.925 1.00 54.14 H new ATOM 0 HD1 TYR A 67 -7.424 -9.469 6.011 1.00 53.23 H new ATOM 0 HD2 TYR A 67 -7.617 -11.013 2.059 1.00 54.43 H new ATOM 0 HE1 TYR A 67 -5.917 -7.707 5.263 1.00 2.21 H new ATOM 0 HE2 TYR A 67 -6.145 -9.209 1.273 1.00 11.42 H new ATOM 0 HH TYR A 67 -4.770 -6.867 3.599 1.00 42.21 H new ATOM 962 N ARG A 68 -11.925 -12.004 3.640 1.00 31.20 N ATOM 963 CA ARG A 68 -12.971 -12.987 3.597 1.00 71.34 C ATOM 964 C ARG A 68 -12.396 -14.288 3.081 1.00 4.55 C ATOM 965 O ARG A 68 -12.433 -14.562 1.883 1.00 34.43 O ATOM 966 CB ARG A 68 -14.124 -12.521 2.698 1.00 42.14 C ATOM 967 CG ARG A 68 -14.803 -11.230 3.134 1.00 21.02 C ATOM 968 CD ARG A 68 -14.605 -10.133 2.095 1.00 11.43 C ATOM 969 NE ARG A 68 -13.213 -9.624 2.050 1.00 43.32 N ATOM 970 CZ ARG A 68 -12.465 -9.441 0.943 1.00 55.22 C ATOM 971 NH1 ARG A 68 -12.947 -9.768 -0.256 1.00 71.44 N ATOM 972 NH2 ARG A 68 -11.241 -8.921 1.058 1.00 51.42 N ATOM 0 H ARG A 68 -11.919 -11.369 2.842 1.00 31.20 H new ATOM 0 HA ARG A 68 -13.371 -13.131 4.601 1.00 71.34 H new ATOM 0 HB2 ARG A 68 -13.744 -12.389 1.685 1.00 42.14 H new ATOM 0 HB3 ARG A 68 -14.874 -13.311 2.656 1.00 42.14 H new ATOM 0 HG2 ARG A 68 -15.868 -11.407 3.283 1.00 21.02 H new ATOM 0 HG3 ARG A 68 -14.397 -10.906 4.092 1.00 21.02 H new ATOM 0 HD2 ARG A 68 -14.878 -10.517 1.112 1.00 11.43 H new ATOM 0 HD3 ARG A 68 -15.282 -9.307 2.313 1.00 11.43 H new ATOM 0 HE ARG A 68 -12.779 -9.390 2.943 1.00 43.32 H new ATOM 0 HH11 ARG A 68 -13.886 -10.159 -0.339 1.00 71.44 H new ATOM 0 HH12 ARG A 68 -12.377 -9.628 -1.090 1.00 71.44 H new ATOM 0 HH21 ARG A 68 -10.879 -8.666 1.977 1.00 51.42 H new ATOM 0 HH22 ARG A 68 -10.667 -8.779 0.227 1.00 51.42 H new ATOM 986 N LEU A 69 -11.788 -15.019 3.961 1.00 41.14 N ATOM 987 CA LEU A 69 -11.156 -16.264 3.624 1.00 74.13 C ATOM 988 C LEU A 69 -11.809 -17.353 4.422 1.00 24.24 C ATOM 989 O LEU A 69 -12.153 -17.142 5.598 1.00 24.04 O ATOM 990 CB LEU A 69 -9.654 -16.215 3.977 1.00 34.11 C ATOM 991 CG LEU A 69 -8.832 -15.074 3.358 1.00 62.24 C ATOM 992 CD1 LEU A 69 -7.392 -15.129 3.824 1.00 32.30 C ATOM 993 CD2 LEU A 69 -8.881 -15.130 1.857 1.00 61.45 C ATOM 0 H LEU A 69 -11.713 -14.769 4.947 1.00 41.14 H new ATOM 0 HA LEU A 69 -11.261 -16.449 2.555 1.00 74.13 H new ATOM 0 HB2 LEU A 69 -9.562 -16.150 5.061 1.00 34.11 H new ATOM 0 HB3 LEU A 69 -9.203 -17.160 3.675 1.00 34.11 H new ATOM 0 HG LEU A 69 -9.273 -14.134 3.690 1.00 62.24 H new ATOM 0 HD11 LEU A 69 -6.832 -14.311 3.372 1.00 32.30 H new ATOM 0 HD12 LEU A 69 -7.357 -15.036 4.909 1.00 32.30 H new ATOM 0 HD13 LEU A 69 -6.949 -16.080 3.527 1.00 32.30 H new ATOM 0 HD21 LEU A 69 -8.292 -14.312 1.443 1.00 61.45 H new ATOM 0 HD22 LEU A 69 -8.473 -16.081 1.515 1.00 61.45 H new ATOM 0 HD23 LEU A 69 -9.914 -15.038 1.523 1.00 61.45 H new ATOM 1005 N THR A 70 -12.016 -18.476 3.818 1.00 72.40 N ATOM 1006 CA THR A 70 -12.552 -19.582 4.519 1.00 21.55 C ATOM 1007 C THR A 70 -11.373 -20.405 5.011 1.00 62.25 C ATOM 1008 O THR A 70 -10.374 -20.562 4.297 1.00 31.00 O ATOM 1009 CB THR A 70 -13.409 -20.454 3.597 1.00 32.22 C ATOM 1010 OG1 THR A 70 -14.147 -19.622 2.704 1.00 63.23 O ATOM 1011 CG2 THR A 70 -14.390 -21.293 4.409 1.00 43.01 C ATOM 0 H THR A 70 -11.818 -18.647 2.832 1.00 72.40 H new ATOM 0 HA THR A 70 -13.182 -19.234 5.338 1.00 21.55 H new ATOM 0 HB THR A 70 -12.748 -21.117 3.038 1.00 32.22 H new ATOM 0 HG1 THR A 70 -13.547 -19.272 2.013 1.00 63.23 H new ATOM 0 HG21 THR A 70 -14.989 -21.905 3.735 1.00 43.01 H new ATOM 0 HG22 THR A 70 -13.838 -21.939 5.092 1.00 43.01 H new ATOM 0 HG23 THR A 70 -15.045 -20.635 4.981 1.00 43.01 H new ATOM 1019 N LEU A 71 -11.491 -20.953 6.194 1.00 23.23 N ATOM 1020 CA LEU A 71 -10.410 -21.732 6.805 1.00 3.00 C ATOM 1021 C LEU A 71 -10.108 -22.959 5.957 1.00 54.35 C ATOM 1022 O LEU A 71 -8.975 -23.404 5.846 1.00 10.02 O ATOM 1023 CB LEU A 71 -10.841 -22.189 8.192 1.00 41.12 C ATOM 1024 CG LEU A 71 -9.758 -22.775 9.079 1.00 52.00 C ATOM 1025 CD1 LEU A 71 -8.720 -21.743 9.415 1.00 31.55 C ATOM 1026 CD2 LEU A 71 -10.350 -23.329 10.343 1.00 21.43 C ATOM 0 H LEU A 71 -12.330 -20.880 6.770 1.00 23.23 H new ATOM 0 HA LEU A 71 -9.519 -21.108 6.873 1.00 3.00 H new ATOM 0 HB2 LEU A 71 -11.282 -21.337 8.710 1.00 41.12 H new ATOM 0 HB3 LEU A 71 -11.628 -22.935 8.076 1.00 41.12 H new ATOM 0 HG LEU A 71 -9.280 -23.584 8.527 1.00 52.00 H new ATOM 0 HD11 LEU A 71 -7.956 -22.189 10.051 1.00 31.55 H new ATOM 0 HD12 LEU A 71 -8.260 -21.378 8.497 1.00 31.55 H new ATOM 0 HD13 LEU A 71 -9.190 -20.912 9.941 1.00 31.55 H new ATOM 0 HD21 LEU A 71 -9.557 -23.744 10.965 1.00 21.43 H new ATOM 0 HD22 LEU A 71 -10.858 -22.532 10.887 1.00 21.43 H new ATOM 0 HD23 LEU A 71 -11.066 -24.113 10.096 1.00 21.43 H new ATOM 1038 N ARG A 72 -11.146 -23.446 5.316 1.00 21.41 N ATOM 1039 CA ARG A 72 -11.092 -24.650 4.520 1.00 24.34 C ATOM 1040 C ARG A 72 -10.268 -24.446 3.249 1.00 3.43 C ATOM 1041 O ARG A 72 -9.725 -25.392 2.712 1.00 0.03 O ATOM 1042 CB ARG A 72 -12.512 -25.109 4.204 1.00 13.10 C ATOM 1043 CG ARG A 72 -13.357 -25.291 5.462 1.00 13.31 C ATOM 1044 CD ARG A 72 -14.791 -25.689 5.160 1.00 11.04 C ATOM 1045 NE ARG A 72 -15.602 -25.710 6.392 1.00 43.43 N ATOM 1046 CZ ARG A 72 -16.873 -26.108 6.500 1.00 43.24 C ATOM 1047 NH1 ARG A 72 -17.533 -26.582 5.434 1.00 1.43 N ATOM 1048 NH2 ARG A 72 -17.476 -26.029 7.686 1.00 23.30 N ATOM 0 H ARG A 72 -12.067 -23.009 5.334 1.00 21.41 H new ATOM 0 HA ARG A 72 -10.589 -25.430 5.091 1.00 24.34 H new ATOM 0 HB2 ARG A 72 -12.990 -24.379 3.551 1.00 13.10 H new ATOM 0 HB3 ARG A 72 -12.473 -26.050 3.656 1.00 13.10 H new ATOM 0 HG2 ARG A 72 -12.900 -26.053 6.093 1.00 13.31 H new ATOM 0 HG3 ARG A 72 -13.356 -24.362 6.032 1.00 13.31 H new ATOM 0 HD2 ARG A 72 -15.224 -24.988 4.446 1.00 11.04 H new ATOM 0 HD3 ARG A 72 -14.809 -26.673 4.691 1.00 11.04 H new ATOM 0 HE ARG A 72 -15.147 -25.389 7.247 1.00 43.43 H new ATOM 0 HH11 ARG A 72 -17.065 -26.642 4.530 1.00 1.43 H new ATOM 0 HH12 ARG A 72 -18.503 -26.883 5.527 1.00 1.43 H new ATOM 0 HH21 ARG A 72 -16.968 -25.669 8.494 1.00 23.30 H new ATOM 0 HH22 ARG A 72 -18.446 -26.329 7.786 1.00 23.30 H new ATOM 1062 N GLU A 73 -10.147 -23.195 2.808 1.00 0.03 N ATOM 1063 CA GLU A 73 -9.362 -22.870 1.622 1.00 40.31 C ATOM 1064 C GLU A 73 -7.889 -22.973 1.959 1.00 3.44 C ATOM 1065 O GLU A 73 -7.128 -23.668 1.289 1.00 5.10 O ATOM 1066 CB GLU A 73 -9.685 -21.460 1.136 1.00 62.24 C ATOM 1067 CG GLU A 73 -11.124 -21.269 0.712 1.00 63.42 C ATOM 1068 CD GLU A 73 -11.421 -19.852 0.303 1.00 53.13 C ATOM 1069 OE1 GLU A 73 -11.217 -19.525 -0.858 1.00 64.51 O ATOM 1070 OE2 GLU A 73 -11.849 -19.028 1.165 1.00 5.53 O ATOM 0 H GLU A 73 -10.584 -22.390 3.256 1.00 0.03 H new ATOM 0 HA GLU A 73 -9.609 -23.573 0.826 1.00 40.31 H new ATOM 0 HB2 GLU A 73 -9.454 -20.751 1.931 1.00 62.24 H new ATOM 0 HB3 GLU A 73 -9.034 -21.219 0.295 1.00 62.24 H new ATOM 0 HG2 GLU A 73 -11.346 -21.938 -0.119 1.00 63.42 H new ATOM 0 HG3 GLU A 73 -11.782 -21.552 1.534 1.00 63.42 H new ATOM 1077 N LEU A 74 -7.505 -22.289 3.029 1.00 44.14 N ATOM 1078 CA LEU A 74 -6.152 -22.297 3.526 1.00 25.31 C ATOM 1079 C LEU A 74 -5.691 -23.697 3.927 1.00 42.13 C ATOM 1080 O LEU A 74 -4.516 -23.995 3.854 1.00 1.43 O ATOM 1081 CB LEU A 74 -5.993 -21.340 4.709 1.00 62.32 C ATOM 1082 CG LEU A 74 -5.957 -19.841 4.395 1.00 63.23 C ATOM 1083 CD1 LEU A 74 -7.244 -19.334 3.845 1.00 41.52 C ATOM 1084 CD2 LEU A 74 -5.515 -19.031 5.589 1.00 1.15 C ATOM 0 H LEU A 74 -8.139 -21.708 3.577 1.00 44.14 H new ATOM 0 HA LEU A 74 -5.519 -21.958 2.706 1.00 25.31 H new ATOM 0 HB2 LEU A 74 -6.814 -21.521 5.403 1.00 62.32 H new ATOM 0 HB3 LEU A 74 -5.072 -21.598 5.231 1.00 62.32 H new ATOM 0 HG LEU A 74 -5.212 -19.714 3.610 1.00 63.23 H new ATOM 0 HD11 LEU A 74 -7.158 -18.267 3.642 1.00 41.52 H new ATOM 0 HD12 LEU A 74 -7.477 -19.861 2.920 1.00 41.52 H new ATOM 0 HD13 LEU A 74 -8.041 -19.502 4.570 1.00 41.52 H new ATOM 0 HD21 LEU A 74 -5.502 -17.973 5.326 1.00 1.15 H new ATOM 0 HD22 LEU A 74 -6.208 -19.192 6.415 1.00 1.15 H new ATOM 0 HD23 LEU A 74 -4.515 -19.342 5.890 1.00 1.15 H new ATOM 1096 N TYR A 75 -6.617 -24.530 4.380 1.00 53.31 N ATOM 1097 CA TYR A 75 -6.288 -25.914 4.712 1.00 42.14 C ATOM 1098 C TYR A 75 -6.059 -26.752 3.479 1.00 23.22 C ATOM 1099 O TYR A 75 -5.223 -27.651 3.484 1.00 22.11 O ATOM 1100 CB TYR A 75 -7.348 -26.582 5.599 1.00 13.44 C ATOM 1101 CG TYR A 75 -7.267 -26.277 7.009 1.00 75.32 C ATOM 1102 CD1 TYR A 75 -6.068 -26.284 7.657 1.00 11.11 C ATOM 1103 CD2 TYR A 75 -8.406 -26.013 7.715 1.00 64.24 C ATOM 1104 CE1 TYR A 75 -6.004 -26.019 8.980 1.00 21.12 C ATOM 1105 CE2 TYR A 75 -8.353 -25.750 9.034 1.00 13.12 C ATOM 1106 CZ TYR A 75 -7.153 -25.748 9.663 1.00 22.41 C ATOM 1107 OH TYR A 75 -7.097 -25.475 10.968 1.00 72.02 O ATOM 0 H TYR A 75 -7.594 -24.278 4.526 1.00 53.31 H new ATOM 0 HA TYR A 75 -5.359 -25.861 5.280 1.00 42.14 H new ATOM 0 HB2 TYR A 75 -8.334 -26.289 5.239 1.00 13.44 H new ATOM 0 HB3 TYR A 75 -7.271 -27.662 5.475 1.00 13.44 H new ATOM 0 HD1 TYR A 75 -5.163 -26.503 7.109 1.00 11.11 H new ATOM 0 HD2 TYR A 75 -9.360 -26.015 7.209 1.00 64.24 H new ATOM 0 HE1 TYR A 75 -5.053 -26.022 9.492 1.00 21.12 H new ATOM 0 HE2 TYR A 75 -9.258 -25.543 9.586 1.00 13.12 H new ATOM 0 HH TYR A 75 -8.001 -25.303 11.305 1.00 72.02 H new ATOM 1117 N ALA A 76 -6.795 -26.462 2.429 1.00 72.12 N ATOM 1118 CA ALA A 76 -6.677 -27.224 1.214 1.00 50.52 C ATOM 1119 C ALA A 76 -5.404 -26.848 0.470 1.00 43.34 C ATOM 1120 O ALA A 76 -4.732 -27.699 -0.110 1.00 61.34 O ATOM 1121 CB ALA A 76 -7.904 -27.043 0.333 1.00 5.34 C ATOM 0 H ALA A 76 -7.479 -25.706 2.396 1.00 72.12 H new ATOM 0 HA ALA A 76 -6.616 -28.280 1.478 1.00 50.52 H new ATOM 0 HB1 ALA A 76 -7.788 -27.630 -0.578 1.00 5.34 H new ATOM 0 HB2 ALA A 76 -8.791 -27.379 0.870 1.00 5.34 H new ATOM 0 HB3 ALA A 76 -8.014 -25.990 0.074 1.00 5.34 H new ATOM 1127 N ALA A 77 -5.078 -25.577 0.494 1.00 45.44 N ATOM 1128 CA ALA A 77 -3.869 -25.104 -0.124 1.00 71.11 C ATOM 1129 C ALA A 77 -3.085 -24.236 0.844 1.00 64.43 C ATOM 1130 O ALA A 77 -3.214 -23.010 0.827 1.00 74.42 O ATOM 1131 CB ALA A 77 -4.162 -24.335 -1.412 1.00 40.42 C ATOM 0 H ALA A 77 -5.639 -24.851 0.939 1.00 45.44 H new ATOM 0 HA ALA A 77 -3.267 -25.974 -0.386 1.00 71.11 H new ATOM 0 HB1 ALA A 77 -3.226 -23.992 -1.852 1.00 40.42 H new ATOM 0 HB2 ALA A 77 -4.677 -24.988 -2.117 1.00 40.42 H new ATOM 0 HB3 ALA A 77 -4.793 -23.475 -1.187 1.00 40.42 H new ATOM 1137 N PRO A 78 -2.301 -24.833 1.746 1.00 34.33 N ATOM 1138 CA PRO A 78 -1.524 -24.071 2.678 1.00 1.05 C ATOM 1139 C PRO A 78 -0.173 -23.726 2.093 1.00 21.41 C ATOM 1140 O PRO A 78 0.817 -24.440 2.290 1.00 34.01 O ATOM 1141 CB PRO A 78 -1.370 -25.011 3.886 1.00 20.15 C ATOM 1142 CG PRO A 78 -1.855 -26.367 3.426 1.00 14.22 C ATOM 1143 CD PRO A 78 -2.127 -26.270 1.947 1.00 41.32 C ATOM 0 HA PRO A 78 -1.992 -23.122 2.940 1.00 1.05 H new ATOM 0 HB2 PRO A 78 -0.331 -25.059 4.213 1.00 20.15 H new ATOM 0 HB3 PRO A 78 -1.955 -24.655 4.734 1.00 20.15 H new ATOM 0 HG2 PRO A 78 -1.106 -27.132 3.629 1.00 14.22 H new ATOM 0 HG3 PRO A 78 -2.758 -26.655 3.964 1.00 14.22 H new ATOM 0 HD2 PRO A 78 -1.300 -26.664 1.356 1.00 41.32 H new ATOM 0 HD3 PRO A 78 -3.018 -26.830 1.662 1.00 41.32 H new ATOM 1151 N THR A 79 -0.146 -22.640 1.375 1.00 43.35 N ATOM 1152 CA THR A 79 1.028 -22.144 0.713 1.00 54.11 C ATOM 1153 C THR A 79 0.887 -20.656 0.640 1.00 4.02 C ATOM 1154 O THR A 79 -0.219 -20.165 0.395 1.00 54.01 O ATOM 1155 CB THR A 79 1.135 -22.694 -0.748 1.00 0.14 C ATOM 1156 OG1 THR A 79 -0.130 -22.540 -1.419 1.00 5.42 O ATOM 1157 CG2 THR A 79 1.558 -24.157 -0.794 1.00 41.43 C ATOM 0 H THR A 79 -0.969 -22.055 1.229 1.00 43.35 H new ATOM 0 HA THR A 79 1.916 -22.457 1.262 1.00 54.11 H new ATOM 0 HB THR A 79 1.908 -22.115 -1.253 1.00 0.14 H new ATOM 0 HG1 THR A 79 -0.059 -22.884 -2.334 1.00 5.42 H new ATOM 0 HG21 THR A 79 1.616 -24.486 -1.831 1.00 41.43 H new ATOM 0 HG22 THR A 79 2.534 -24.268 -0.323 1.00 41.43 H new ATOM 0 HG23 THR A 79 0.826 -24.764 -0.261 1.00 41.43 H new ATOM 1165 N LEU A 80 1.949 -19.935 0.850 1.00 61.41 N ATOM 1166 CA LEU A 80 1.876 -18.500 0.761 1.00 30.11 C ATOM 1167 C LEU A 80 1.553 -18.049 -0.666 1.00 14.11 C ATOM 1168 O LEU A 80 0.797 -17.106 -0.853 1.00 22.44 O ATOM 1169 CB LEU A 80 3.119 -17.822 1.358 1.00 21.40 C ATOM 1170 CG LEU A 80 3.020 -17.437 2.851 1.00 25.02 C ATOM 1171 CD1 LEU A 80 4.334 -16.964 3.383 1.00 71.30 C ATOM 1172 CD2 LEU A 80 2.071 -16.316 3.004 1.00 32.30 C ATOM 0 H LEU A 80 2.869 -20.309 1.082 1.00 61.41 H new ATOM 0 HA LEU A 80 1.043 -18.165 1.379 1.00 30.11 H new ATOM 0 HB2 LEU A 80 3.971 -18.489 1.230 1.00 21.40 H new ATOM 0 HB3 LEU A 80 3.330 -16.921 0.783 1.00 21.40 H new ATOM 0 HG LEU A 80 2.697 -18.325 3.395 1.00 25.02 H new ATOM 0 HD11 LEU A 80 4.227 -16.702 4.436 1.00 71.30 H new ATOM 0 HD12 LEU A 80 5.075 -17.757 3.280 1.00 71.30 H new ATOM 0 HD13 LEU A 80 4.660 -16.088 2.822 1.00 71.30 H new ATOM 0 HD21 LEU A 80 1.999 -16.042 4.056 1.00 32.30 H new ATOM 0 HD22 LEU A 80 2.424 -15.460 2.429 1.00 32.30 H new ATOM 0 HD23 LEU A 80 1.089 -16.618 2.639 1.00 32.30 H new ATOM 1184 N ALA A 81 2.042 -18.809 -1.650 1.00 45.55 N ATOM 1185 CA ALA A 81 1.794 -18.548 -3.076 1.00 4.33 C ATOM 1186 C ALA A 81 0.305 -18.372 -3.368 1.00 21.24 C ATOM 1187 O ALA A 81 -0.114 -17.379 -3.969 1.00 63.22 O ATOM 1188 CB ALA A 81 2.341 -19.691 -3.924 1.00 25.42 C ATOM 0 H ALA A 81 2.625 -19.629 -1.481 1.00 45.55 H new ATOM 0 HA ALA A 81 2.306 -17.620 -3.330 1.00 4.33 H new ATOM 0 HB1 ALA A 81 2.151 -19.486 -4.977 1.00 25.42 H new ATOM 0 HB2 ALA A 81 3.415 -19.784 -3.760 1.00 25.42 H new ATOM 0 HB3 ALA A 81 1.849 -20.622 -3.641 1.00 25.42 H new ATOM 1194 N ALA A 82 -0.502 -19.320 -2.911 1.00 61.00 N ATOM 1195 CA ALA A 82 -1.920 -19.247 -3.161 1.00 70.30 C ATOM 1196 C ALA A 82 -2.599 -18.259 -2.249 1.00 0.24 C ATOM 1197 O ALA A 82 -3.540 -17.587 -2.666 1.00 74.53 O ATOM 1198 CB ALA A 82 -2.590 -20.594 -3.065 1.00 13.53 C ATOM 0 H ALA A 82 -0.198 -20.133 -2.375 1.00 61.00 H new ATOM 0 HA ALA A 82 -2.028 -18.896 -4.187 1.00 70.30 H new ATOM 0 HB1 ALA A 82 -3.657 -20.485 -3.261 1.00 13.53 H new ATOM 0 HB2 ALA A 82 -2.153 -21.271 -3.799 1.00 13.53 H new ATOM 0 HB3 ALA A 82 -2.445 -21.002 -2.065 1.00 13.53 H new ATOM 1204 N TRP A 83 -2.117 -18.143 -1.007 1.00 10.23 N ATOM 1205 CA TRP A 83 -2.713 -17.220 -0.060 1.00 3.32 C ATOM 1206 C TRP A 83 -2.579 -15.811 -0.548 1.00 55.13 C ATOM 1207 O TRP A 83 -3.480 -15.038 -0.403 1.00 13.50 O ATOM 1208 CB TRP A 83 -2.111 -17.360 1.314 1.00 64.52 C ATOM 1209 CG TRP A 83 -2.440 -18.644 2.009 1.00 13.53 C ATOM 1210 CD1 TRP A 83 -3.088 -19.739 1.514 1.00 63.15 C ATOM 1211 CD2 TRP A 83 -2.150 -18.933 3.345 1.00 72.23 C ATOM 1212 NE1 TRP A 83 -3.165 -20.706 2.467 1.00 53.53 N ATOM 1213 CE2 TRP A 83 -2.610 -20.228 3.614 1.00 41.12 C ATOM 1214 CE3 TRP A 83 -1.535 -18.212 4.335 1.00 64.43 C ATOM 1215 CZ2 TRP A 83 -2.474 -20.818 4.853 1.00 5.41 C ATOM 1216 CZ3 TRP A 83 -1.399 -18.786 5.585 1.00 15.31 C ATOM 1217 CH2 TRP A 83 -1.873 -20.086 5.830 1.00 52.43 C ATOM 0 H TRP A 83 -1.325 -18.674 -0.645 1.00 10.23 H new ATOM 0 HA TRP A 83 -3.771 -17.469 0.019 1.00 3.32 H new ATOM 0 HB2 TRP A 83 -1.028 -17.273 1.232 1.00 64.52 H new ATOM 0 HB3 TRP A 83 -2.452 -16.529 1.932 1.00 64.52 H new ATOM 0 HD1 TRP A 83 -3.482 -19.825 0.512 1.00 63.15 H new ATOM 0 HE1 TRP A 83 -3.571 -21.634 2.343 1.00 53.53 H new ATOM 0 HE3 TRP A 83 -1.164 -17.216 4.142 1.00 64.43 H new ATOM 0 HZ2 TRP A 83 -2.830 -21.820 5.040 1.00 5.41 H new ATOM 0 HZ3 TRP A 83 -0.924 -18.231 6.380 1.00 15.31 H new ATOM 0 HH2 TRP A 83 -1.758 -20.513 6.815 1.00 52.43 H new ATOM 1228 N ASN A 84 -1.439 -15.509 -1.128 1.00 43.04 N ATOM 1229 CA ASN A 84 -1.163 -14.208 -1.796 1.00 73.11 C ATOM 1230 C ASN A 84 -2.347 -13.831 -2.700 1.00 23.11 C ATOM 1231 O ASN A 84 -2.953 -12.753 -2.565 1.00 55.20 O ATOM 1232 CB ASN A 84 0.109 -14.350 -2.662 1.00 31.34 C ATOM 1233 CG ASN A 84 0.721 -13.031 -3.122 1.00 50.54 C ATOM 1234 OD1 ASN A 84 0.044 -12.032 -3.323 1.00 23.04 O ATOM 1235 ND2 ASN A 84 2.028 -13.027 -3.271 1.00 25.54 N ATOM 0 H ASN A 84 -0.650 -16.155 -1.162 1.00 43.04 H new ATOM 0 HA ASN A 84 -1.020 -13.433 -1.043 1.00 73.11 H new ATOM 0 HB2 ASN A 84 0.858 -14.903 -2.095 1.00 31.34 H new ATOM 0 HB3 ASN A 84 -0.132 -14.948 -3.541 1.00 31.34 H new ATOM 0 HD21 ASN A 84 2.506 -12.174 -3.562 1.00 25.54 H new ATOM 0 HD22 ASN A 84 2.564 -13.877 -3.095 1.00 25.54 H new ATOM 1242 N GLN A 85 -2.722 -14.770 -3.546 1.00 32.24 N ATOM 1243 CA GLN A 85 -3.828 -14.600 -4.476 1.00 53.01 C ATOM 1244 C GLN A 85 -5.168 -14.514 -3.710 1.00 33.31 C ATOM 1245 O GLN A 85 -6.044 -13.727 -4.062 1.00 32.01 O ATOM 1246 CB GLN A 85 -3.851 -15.780 -5.468 1.00 35.14 C ATOM 1247 CG GLN A 85 -2.599 -15.908 -6.346 1.00 30.22 C ATOM 1248 CD GLN A 85 -2.501 -14.920 -7.527 1.00 41.14 C ATOM 1249 OE1 GLN A 85 -3.102 -13.754 -7.436 1.00 4.34 O flip ATOM 1250 NE2 GLN A 85 -1.898 -15.238 -8.539 1.00 2.41 N flip ATOM 0 H GLN A 85 -2.266 -15.680 -3.610 1.00 32.24 H new ATOM 0 HA GLN A 85 -3.691 -13.670 -5.028 1.00 53.01 H new ATOM 0 HB2 GLN A 85 -3.980 -16.705 -4.907 1.00 35.14 H new ATOM 0 HB3 GLN A 85 -4.722 -15.675 -6.115 1.00 35.14 H new ATOM 0 HG2 GLN A 85 -1.721 -15.777 -5.714 1.00 30.22 H new ATOM 0 HG3 GLN A 85 -2.559 -16.923 -6.742 1.00 30.22 H new ATOM 0 HE21 GLN A 85 -1.437 -16.146 -8.594 1.00 2.41 H new ATOM 0 HE22 GLN A 85 -1.855 -14.596 -9.330 1.00 2.41 H new ATOM 1259 N LEU A 86 -5.299 -15.314 -2.648 1.00 44.42 N ATOM 1260 CA LEU A 86 -6.503 -15.327 -1.804 1.00 51.22 C ATOM 1261 C LEU A 86 -6.682 -13.980 -1.076 1.00 33.44 C ATOM 1262 O LEU A 86 -7.786 -13.580 -0.762 1.00 1.43 O ATOM 1263 CB LEU A 86 -6.425 -16.437 -0.728 1.00 3.53 C ATOM 1264 CG LEU A 86 -6.223 -17.894 -1.186 1.00 74.53 C ATOM 1265 CD1 LEU A 86 -6.231 -18.809 0.006 1.00 42.53 C ATOM 1266 CD2 LEU A 86 -7.292 -18.344 -2.150 1.00 53.12 C ATOM 0 H LEU A 86 -4.578 -15.970 -2.348 1.00 44.42 H new ATOM 0 HA LEU A 86 -7.347 -15.512 -2.469 1.00 51.22 H new ATOM 0 HB2 LEU A 86 -5.608 -16.186 -0.052 1.00 3.53 H new ATOM 0 HB3 LEU A 86 -7.345 -16.398 -0.144 1.00 3.53 H new ATOM 0 HG LEU A 86 -5.262 -17.938 -1.699 1.00 74.53 H new ATOM 0 HD11 LEU A 86 -6.088 -19.838 -0.324 1.00 42.53 H new ATOM 0 HD12 LEU A 86 -5.425 -18.530 0.684 1.00 42.53 H new ATOM 0 HD13 LEU A 86 -7.186 -18.724 0.524 1.00 42.53 H new ATOM 0 HD21 LEU A 86 -7.106 -19.377 -2.444 1.00 53.12 H new ATOM 0 HD22 LEU A 86 -8.268 -18.273 -1.670 1.00 53.12 H new ATOM 0 HD23 LEU A 86 -7.276 -17.707 -3.034 1.00 53.12 H new ATOM 1278 N MET A 87 -5.586 -13.289 -0.853 1.00 63.12 N ATOM 1279 CA MET A 87 -5.561 -12.062 -0.072 1.00 64.43 C ATOM 1280 C MET A 87 -5.949 -10.914 -0.937 1.00 24.44 C ATOM 1281 O MET A 87 -6.931 -10.194 -0.708 1.00 65.13 O ATOM 1282 CB MET A 87 -4.119 -11.805 0.446 1.00 52.21 C ATOM 1283 CG MET A 87 -3.620 -12.784 1.491 1.00 74.42 C ATOM 1284 SD MET A 87 -4.367 -12.550 3.095 1.00 64.40 S ATOM 1285 CE MET A 87 -3.587 -11.018 3.588 1.00 61.14 C ATOM 0 H MET A 87 -4.672 -13.564 -1.212 1.00 63.12 H new ATOM 0 HA MET A 87 -6.254 -12.161 0.764 1.00 64.43 H new ATOM 0 HB2 MET A 87 -3.436 -11.827 -0.404 1.00 52.21 H new ATOM 0 HB3 MET A 87 -4.075 -10.799 0.864 1.00 52.21 H new ATOM 0 HG2 MET A 87 -3.819 -13.800 1.151 1.00 74.42 H new ATOM 0 HG3 MET A 87 -2.539 -12.685 1.584 1.00 74.42 H new ATOM 0 HE1 MET A 87 -3.985 -10.700 4.552 1.00 61.14 H new ATOM 0 HE2 MET A 87 -2.511 -11.168 3.672 1.00 61.14 H new ATOM 0 HE3 MET A 87 -3.789 -10.250 2.841 1.00 61.14 H new ATOM 1295 N LEU A 88 -5.190 -10.792 -1.952 1.00 42.34 N ATOM 1296 CA LEU A 88 -5.196 -9.694 -2.805 1.00 35.31 C ATOM 1297 C LEU A 88 -6.254 -9.760 -3.902 1.00 5.25 C ATOM 1298 O LEU A 88 -7.111 -8.902 -3.948 1.00 22.23 O ATOM 1299 CB LEU A 88 -3.796 -9.575 -3.339 1.00 45.21 C ATOM 1300 CG LEU A 88 -3.656 -8.904 -4.632 1.00 42.40 C ATOM 1301 CD1 LEU A 88 -3.936 -7.400 -4.545 1.00 73.52 C ATOM 1302 CD2 LEU A 88 -2.335 -9.211 -5.241 1.00 3.11 C ATOM 0 H LEU A 88 -4.510 -11.504 -2.218 1.00 42.34 H new ATOM 0 HA LEU A 88 -5.484 -8.797 -2.257 1.00 35.31 H new ATOM 0 HB2 LEU A 88 -3.194 -9.038 -2.606 1.00 45.21 H new ATOM 0 HB3 LEU A 88 -3.375 -10.577 -3.425 1.00 45.21 H new ATOM 0 HG LEU A 88 -4.422 -9.301 -5.298 1.00 42.40 H new ATOM 0 HD11 LEU A 88 -3.818 -6.950 -5.531 1.00 73.52 H new ATOM 0 HD12 LEU A 88 -4.955 -7.239 -4.192 1.00 73.52 H new ATOM 0 HD13 LEU A 88 -3.234 -6.939 -3.850 1.00 73.52 H new ATOM 0 HD21 LEU A 88 -2.250 -8.703 -6.202 1.00 3.11 H new ATOM 0 HD22 LEU A 88 -1.540 -8.869 -4.578 1.00 3.11 H new ATOM 0 HD23 LEU A 88 -2.244 -10.287 -5.390 1.00 3.11 H new ATOM 1314 N SER A 89 -6.232 -10.790 -4.719 1.00 35.13 N ATOM 1315 CA SER A 89 -7.115 -10.880 -5.886 1.00 55.31 C ATOM 1316 C SER A 89 -8.579 -11.212 -5.492 1.00 33.12 C ATOM 1317 O SER A 89 -9.428 -11.494 -6.331 1.00 75.23 O ATOM 1318 CB SER A 89 -6.536 -11.916 -6.830 1.00 63.51 C ATOM 1319 OG SER A 89 -5.140 -11.672 -7.013 1.00 13.45 O ATOM 0 H SER A 89 -5.610 -11.590 -4.604 1.00 35.13 H new ATOM 0 HA SER A 89 -7.162 -9.910 -6.382 1.00 55.31 H new ATOM 0 HB2 SER A 89 -6.691 -12.917 -6.427 1.00 63.51 H new ATOM 0 HB3 SER A 89 -7.051 -11.876 -7.790 1.00 63.51 H new ATOM 0 HG SER A 89 -4.674 -12.523 -7.148 1.00 13.45 H new