USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=15 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 64 LYS NZ :NH3+ -152:sc= -1.87! (180deg=-2.17!) USER MOD Set 1.2: A 65 ASN : amide:sc= 0.716 K(o=-1.2,f=-9.8!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= 0.126 K(o=-0.089,f=-1.7) USER MOD Set 2.2: A 67 TYR OH : rot 22:sc= 0.433 USER MOD Set 2.3: A 87 MET CE :methyl -110:sc= -0.649 (180deg=-1.56) USER MOD Single : A 21 TYR OH : rot -136:sc= 1.94 USER MOD Single : A 22 GLN : amide:sc= -0.0626 K(o=-0.063,f=-3!) USER MOD Single : A 23 GLN :FLIP amide:sc= -1.56 F(o=-5.1!,f=-1.6) USER MOD Single : A 30 GLN :FLIP amide:sc=-0.00196 F(o=-0.92,f=-0.002) USER MOD Single : A 33 ASN : amide:sc= 0.616 K(o=0.62,f=-0.24) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.186 K(o=-0.19,f=-4.3!) USER MOD Single : A 38 GLN : amide:sc= -0.088 K(o=-0.088,f=-0.63) USER MOD Single : A 40 HIS : no HE2:sc= 0.744 K(o=0.74,f=-5.8!) USER MOD Single : A 43 SER OG : rot -168:sc= -0.53 USER MOD Single : A 44 ASN : amide:sc= 0.822 K(o=0.82,f=-5.4!) USER MOD Single : A 47 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.54) USER MOD Single : A 56 MET CE :methyl 147:sc= -0.534 (180deg=-2.75!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 75 TYR OH : rot 30:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00149 USER MOD Single : A 84 ASN : amide:sc= 0.924 K(o=0.92,f=-1.8) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 89 SER OG : rot 80:sc= 0.945 USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -4.340 -5.881 -1.168 1.00 54.35 N ATOM 52 CA HIS A 17 -4.642 -6.677 0.022 1.00 61.31 C ATOM 53 C HIS A 17 -3.498 -7.534 0.389 1.00 64.55 C ATOM 54 O HIS A 17 -3.182 -7.722 1.535 1.00 35.31 O ATOM 55 CB HIS A 17 -5.894 -7.518 -0.191 1.00 54.51 C ATOM 56 CG HIS A 17 -7.175 -6.758 -0.096 1.00 12.53 C ATOM 57 ND1 HIS A 17 -7.688 -6.308 1.090 1.00 15.01 N ATOM 58 CD2 HIS A 17 -8.045 -6.369 -1.052 1.00 42.13 C ATOM 59 CE1 HIS A 17 -8.826 -5.670 0.840 1.00 53.44 C ATOM 60 NE2 HIS A 17 -9.097 -5.675 -0.456 1.00 63.43 N ATOM 0 HA HIS A 17 -4.829 -5.988 0.846 1.00 61.31 H new ATOM 0 HB2 HIS A 17 -5.837 -7.988 -1.173 1.00 54.51 H new ATOM 0 HB3 HIS A 17 -5.907 -8.320 0.547 1.00 54.51 H new ATOM 0 HD1 HIS A 17 -7.268 -6.440 2.010 1.00 15.01 H new ATOM 0 HD2 HIS A 17 -7.943 -6.564 -2.109 1.00 42.13 H new ATOM 0 HE1 HIS A 17 -9.447 -5.209 1.593 1.00 53.44 H new ATOM 68 N ALA A 18 -2.825 -7.971 -0.594 1.00 23.23 N ATOM 69 CA ALA A 18 -1.705 -8.802 -0.419 1.00 40.14 C ATOM 70 C ALA A 18 -0.547 -8.057 0.264 1.00 64.43 C ATOM 71 O ALA A 18 0.431 -8.643 0.628 1.00 73.23 O ATOM 72 CB ALA A 18 -1.358 -9.498 -1.683 1.00 61.40 C ATOM 0 H ALA A 18 -3.040 -7.758 -1.568 1.00 23.23 H new ATOM 0 HA ALA A 18 -1.955 -9.600 0.280 1.00 40.14 H new ATOM 0 HB1 ALA A 18 -0.488 -10.135 -1.521 1.00 61.40 H new ATOM 0 HB2 ALA A 18 -2.201 -10.110 -2.005 1.00 61.40 H new ATOM 0 HB3 ALA A 18 -1.130 -8.761 -2.453 1.00 61.40 H new ATOM 78 N ALA A 19 -0.632 -6.737 0.333 1.00 31.35 N ATOM 79 CA ALA A 19 0.360 -5.951 1.058 1.00 64.52 C ATOM 80 C ALA A 19 0.427 -6.338 2.545 1.00 55.51 C ATOM 81 O ALA A 19 1.475 -6.188 3.161 1.00 43.31 O ATOM 82 CB ALA A 19 0.115 -4.470 0.918 1.00 41.34 C ATOM 0 H ALA A 19 -1.374 -6.188 -0.102 1.00 31.35 H new ATOM 0 HA ALA A 19 1.323 -6.182 0.604 1.00 64.52 H new ATOM 0 HB1 ALA A 19 0.876 -3.921 1.473 1.00 41.34 H new ATOM 0 HB2 ALA A 19 0.162 -4.191 -0.135 1.00 41.34 H new ATOM 0 HB3 ALA A 19 -0.870 -4.225 1.314 1.00 41.34 H new ATOM 88 N ASP A 20 -0.664 -6.843 3.142 1.00 13.43 N ATOM 89 CA ASP A 20 -0.539 -7.281 4.528 1.00 11.41 C ATOM 90 C ASP A 20 0.115 -8.650 4.614 1.00 72.41 C ATOM 91 O ASP A 20 0.685 -9.012 5.654 1.00 31.43 O ATOM 92 CB ASP A 20 -1.790 -7.103 5.447 1.00 40.32 C ATOM 93 CG ASP A 20 -2.978 -7.978 5.149 1.00 25.50 C ATOM 94 OD1 ASP A 20 -3.762 -7.621 4.286 1.00 70.24 O ATOM 95 OD2 ASP A 20 -3.152 -9.006 5.821 1.00 64.13 O ATOM 0 H ASP A 20 -1.584 -6.952 2.715 1.00 13.43 H new ATOM 0 HA ASP A 20 0.139 -6.558 4.982 1.00 11.41 H new ATOM 0 HB2 ASP A 20 -1.484 -7.284 6.477 1.00 40.32 H new ATOM 0 HB3 ASP A 20 -2.110 -6.063 5.388 1.00 40.32 H new ATOM 100 N TYR A 21 0.124 -9.370 3.469 1.00 20.24 N ATOM 101 CA TYR A 21 0.861 -10.665 3.332 1.00 3.11 C ATOM 102 C TYR A 21 2.343 -10.470 3.640 1.00 3.14 C ATOM 103 O TYR A 21 3.012 -11.387 4.092 1.00 52.33 O ATOM 104 CB TYR A 21 0.678 -11.288 1.911 1.00 60.34 C ATOM 105 CG TYR A 21 1.973 -11.618 1.114 1.00 62.34 C ATOM 106 CD1 TYR A 21 2.608 -10.659 0.327 1.00 55.42 C ATOM 107 CD2 TYR A 21 2.518 -12.891 1.124 1.00 74.25 C ATOM 108 CE1 TYR A 21 3.733 -10.966 -0.399 1.00 2.43 C ATOM 109 CE2 TYR A 21 3.631 -13.212 0.402 1.00 13.31 C ATOM 110 CZ TYR A 21 4.240 -12.245 -0.364 1.00 34.30 C ATOM 111 OH TYR A 21 5.377 -12.536 -1.076 1.00 15.12 O ATOM 0 H TYR A 21 -0.368 -9.084 2.623 1.00 20.24 H new ATOM 0 HA TYR A 21 0.437 -11.362 4.055 1.00 3.11 H new ATOM 0 HB2 TYR A 21 0.101 -12.207 2.015 1.00 60.34 H new ATOM 0 HB3 TYR A 21 0.078 -10.601 1.314 1.00 60.34 H new ATOM 0 HD1 TYR A 21 2.208 -9.656 0.287 1.00 55.42 H new ATOM 0 HD2 TYR A 21 2.046 -13.656 1.723 1.00 74.25 H new ATOM 0 HE1 TYR A 21 4.218 -10.207 -0.995 1.00 2.43 H new ATOM 0 HE2 TYR A 21 4.030 -14.215 0.432 1.00 13.31 H new ATOM 0 HH TYR A 21 5.259 -13.388 -1.546 1.00 15.12 H new ATOM 121 N GLN A 22 2.827 -9.262 3.374 1.00 71.13 N ATOM 122 CA GLN A 22 4.198 -8.850 3.665 1.00 30.01 C ATOM 123 C GLN A 22 4.492 -9.137 5.145 1.00 2.44 C ATOM 124 O GLN A 22 5.415 -9.864 5.484 1.00 5.42 O ATOM 125 CB GLN A 22 4.288 -7.344 3.371 1.00 51.52 C ATOM 126 CG GLN A 22 5.579 -6.650 3.741 1.00 23.43 C ATOM 127 CD GLN A 22 6.767 -7.017 2.882 1.00 50.33 C ATOM 128 OE1 GLN A 22 6.640 -7.344 1.693 1.00 4.13 O ATOM 129 NE2 GLN A 22 7.930 -6.976 3.468 1.00 54.50 N ATOM 0 H GLN A 22 2.268 -8.527 2.942 1.00 71.13 H new ATOM 0 HA GLN A 22 4.926 -9.390 3.059 1.00 30.01 H new ATOM 0 HB2 GLN A 22 4.117 -7.196 2.305 1.00 51.52 H new ATOM 0 HB3 GLN A 22 3.473 -6.847 3.897 1.00 51.52 H new ATOM 0 HG2 GLN A 22 5.425 -5.573 3.682 1.00 23.43 H new ATOM 0 HG3 GLN A 22 5.815 -6.882 4.780 1.00 23.43 H new ATOM 0 HE21 GLN A 22 7.998 -6.702 4.448 1.00 54.50 H new ATOM 0 HE22 GLN A 22 8.773 -7.218 2.946 1.00 54.50 H new ATOM 138 N GLN A 23 3.629 -8.620 5.997 1.00 3.32 N ATOM 139 CA GLN A 23 3.750 -8.821 7.447 1.00 4.45 C ATOM 140 C GLN A 23 3.502 -10.288 7.826 1.00 61.04 C ATOM 141 O GLN A 23 4.157 -10.826 8.721 1.00 1.54 O ATOM 142 CB GLN A 23 2.792 -7.903 8.245 1.00 34.43 C ATOM 143 CG GLN A 23 3.117 -6.402 8.198 1.00 72.00 C ATOM 144 CD GLN A 23 2.948 -5.751 6.826 1.00 24.22 C ATOM 145 OE1 GLN A 23 1.974 -6.194 6.066 1.00 52.13 O flip ATOM 146 NE2 GLN A 23 3.656 -4.830 6.481 1.00 11.42 N flip ATOM 0 H GLN A 23 2.828 -8.053 5.719 1.00 3.32 H new ATOM 0 HA GLN A 23 4.772 -8.553 7.714 1.00 4.45 H new ATOM 0 HB2 GLN A 23 1.780 -8.049 7.868 1.00 34.43 H new ATOM 0 HB3 GLN A 23 2.794 -8.224 9.287 1.00 34.43 H new ATOM 0 HG2 GLN A 23 2.476 -5.884 8.912 1.00 72.00 H new ATOM 0 HG3 GLN A 23 4.145 -6.257 8.529 1.00 72.00 H new ATOM 0 HE21 GLN A 23 4.406 -4.506 7.092 1.00 11.42 H new ATOM 0 HE22 GLN A 23 3.502 -4.378 5.579 1.00 11.42 H new ATOM 155 N LEU A 24 2.540 -10.911 7.146 1.00 4.14 N ATOM 156 CA LEU A 24 2.201 -12.330 7.342 1.00 11.35 C ATOM 157 C LEU A 24 3.418 -13.208 7.165 1.00 53.33 C ATOM 158 O LEU A 24 3.762 -13.987 8.036 1.00 72.40 O ATOM 159 CB LEU A 24 1.146 -12.751 6.319 1.00 51.34 C ATOM 160 CG LEU A 24 0.797 -14.241 6.270 1.00 41.04 C ATOM 161 CD1 LEU A 24 0.090 -14.696 7.525 1.00 13.21 C ATOM 162 CD2 LEU A 24 -0.015 -14.556 5.042 1.00 30.34 C ATOM 0 H LEU A 24 1.968 -10.448 6.439 1.00 4.14 H new ATOM 0 HA LEU A 24 1.820 -12.449 8.356 1.00 11.35 H new ATOM 0 HB2 LEU A 24 0.232 -12.193 6.523 1.00 51.34 H new ATOM 0 HB3 LEU A 24 1.490 -12.449 5.330 1.00 51.34 H new ATOM 0 HG LEU A 24 1.733 -14.797 6.213 1.00 41.04 H new ATOM 0 HD11 LEU A 24 -0.139 -15.759 7.448 1.00 13.21 H new ATOM 0 HD12 LEU A 24 0.734 -14.525 8.388 1.00 13.21 H new ATOM 0 HD13 LEU A 24 -0.835 -14.133 7.646 1.00 13.21 H new ATOM 0 HD21 LEU A 24 -0.253 -15.620 5.026 1.00 30.34 H new ATOM 0 HD22 LEU A 24 -0.939 -13.978 5.059 1.00 30.34 H new ATOM 0 HD23 LEU A 24 0.558 -14.299 4.151 1.00 30.34 H new ATOM 174 N ARG A 25 4.055 -13.035 6.047 1.00 1.23 N ATOM 175 CA ARG A 25 5.179 -13.806 5.613 1.00 12.32 C ATOM 176 C ARG A 25 6.322 -13.718 6.616 1.00 22.31 C ATOM 177 O ARG A 25 6.820 -14.749 7.097 1.00 53.52 O ATOM 178 CB ARG A 25 5.569 -13.250 4.278 1.00 41.45 C ATOM 179 CG ARG A 25 6.559 -14.034 3.488 1.00 44.43 C ATOM 180 CD ARG A 25 6.804 -13.301 2.202 1.00 14.41 C ATOM 181 NE ARG A 25 7.407 -12.008 2.507 1.00 1.10 N ATOM 182 CZ ARG A 25 7.432 -10.934 1.750 1.00 22.04 C ATOM 183 NH1 ARG A 25 7.008 -10.961 0.487 1.00 51.43 N ATOM 184 NH2 ARG A 25 7.888 -9.820 2.261 1.00 14.40 N ATOM 0 H ARG A 25 3.790 -12.313 5.377 1.00 1.23 H new ATOM 0 HA ARG A 25 4.933 -14.865 5.536 1.00 12.32 H new ATOM 0 HB2 ARG A 25 4.665 -13.141 3.678 1.00 41.45 H new ATOM 0 HB3 ARG A 25 5.973 -12.249 4.431 1.00 41.45 H new ATOM 0 HG2 ARG A 25 7.489 -14.148 4.046 1.00 44.43 H new ATOM 0 HG3 ARG A 25 6.181 -15.037 3.290 1.00 44.43 H new ATOM 0 HD2 ARG A 25 7.462 -13.882 1.556 1.00 14.41 H new ATOM 0 HD3 ARG A 25 5.867 -13.163 1.662 1.00 14.41 H new ATOM 0 HE ARG A 25 7.863 -11.928 3.416 1.00 1.10 H new ATOM 0 HH11 ARG A 25 6.653 -11.829 0.087 1.00 51.43 H new ATOM 0 HH12 ARG A 25 7.038 -10.113 -0.079 1.00 51.43 H new ATOM 0 HH21 ARG A 25 8.214 -9.798 3.227 1.00 14.40 H new ATOM 0 HH22 ARG A 25 7.917 -8.973 1.693 1.00 14.40 H new ATOM 198 N GLU A 26 6.686 -12.508 6.973 1.00 20.03 N ATOM 199 CA GLU A 26 7.733 -12.284 7.936 1.00 43.25 C ATOM 200 C GLU A 26 7.380 -12.810 9.332 1.00 35.42 C ATOM 201 O GLU A 26 8.257 -13.235 10.097 1.00 44.02 O ATOM 202 CB GLU A 26 8.164 -10.828 7.961 1.00 63.41 C ATOM 203 CG GLU A 26 9.198 -10.491 6.879 1.00 33.21 C ATOM 204 CD GLU A 26 8.694 -10.547 5.436 1.00 42.41 C ATOM 205 OE1 GLU A 26 8.485 -11.650 4.898 1.00 51.02 O ATOM 206 OE2 GLU A 26 8.553 -9.486 4.804 1.00 13.43 O ATOM 0 H GLU A 26 6.265 -11.655 6.604 1.00 20.03 H new ATOM 0 HA GLU A 26 8.591 -12.870 7.607 1.00 43.25 H new ATOM 0 HB2 GLU A 26 7.288 -10.193 7.829 1.00 63.41 H new ATOM 0 HB3 GLU A 26 8.582 -10.595 8.940 1.00 63.41 H new ATOM 0 HG2 GLU A 26 9.583 -9.490 7.071 1.00 33.21 H new ATOM 0 HG3 GLU A 26 10.037 -11.180 6.978 1.00 33.21 H new ATOM 213 N ARG A 27 6.097 -12.836 9.658 1.00 51.34 N ATOM 214 CA ARG A 27 5.673 -13.363 10.926 1.00 11.21 C ATOM 215 C ARG A 27 5.676 -14.880 10.867 1.00 32.33 C ATOM 216 O ARG A 27 5.926 -15.531 11.865 1.00 11.32 O ATOM 217 CB ARG A 27 4.298 -12.852 11.294 1.00 23.55 C ATOM 218 CG ARG A 27 4.144 -12.591 12.792 1.00 60.41 C ATOM 219 CD ARG A 27 4.128 -13.838 13.676 1.00 24.12 C ATOM 220 NE ARG A 27 4.103 -13.479 15.112 1.00 42.41 N ATOM 221 CZ ARG A 27 3.928 -14.348 16.133 1.00 1.13 C ATOM 222 NH1 ARG A 27 3.626 -15.615 15.891 1.00 13.03 N ATOM 223 NH2 ARG A 27 4.014 -13.920 17.401 1.00 14.44 N ATOM 0 H ARG A 27 5.343 -12.498 9.060 1.00 51.34 H new ATOM 0 HA ARG A 27 6.368 -13.028 11.696 1.00 11.21 H new ATOM 0 HB2 ARG A 27 4.100 -11.930 10.747 1.00 23.55 H new ATOM 0 HB3 ARG A 27 3.549 -13.578 10.978 1.00 23.55 H new ATOM 0 HG2 ARG A 27 4.960 -11.946 13.117 1.00 60.41 H new ATOM 0 HG3 ARG A 27 3.218 -12.039 12.954 1.00 60.41 H new ATOM 0 HD2 ARG A 27 3.256 -14.446 13.436 1.00 24.12 H new ATOM 0 HD3 ARG A 27 5.008 -14.446 13.466 1.00 24.12 H new ATOM 0 HE ARG A 27 4.228 -12.495 15.351 1.00 42.41 H new ATOM 0 HH11 ARG A 27 3.524 -15.940 14.930 1.00 13.03 H new ATOM 0 HH12 ARG A 27 3.495 -16.265 16.666 1.00 13.03 H new ATOM 0 HH21 ARG A 27 4.212 -12.938 17.596 1.00 14.44 H new ATOM 0 HH22 ARG A 27 3.882 -14.576 18.171 1.00 14.44 H new ATOM 237 N LEU A 28 5.443 -15.428 9.680 1.00 61.20 N ATOM 238 CA LEU A 28 5.435 -16.870 9.467 1.00 41.31 C ATOM 239 C LEU A 28 6.810 -17.417 9.680 1.00 10.12 C ATOM 240 O LEU A 28 6.974 -18.461 10.276 1.00 33.02 O ATOM 241 CB LEU A 28 4.913 -17.242 8.074 1.00 52.52 C ATOM 242 CG LEU A 28 3.407 -17.085 7.857 1.00 53.20 C ATOM 243 CD1 LEU A 28 3.062 -17.296 6.411 1.00 60.41 C ATOM 244 CD2 LEU A 28 2.651 -18.085 8.687 1.00 52.14 C ATOM 0 H LEU A 28 5.254 -14.885 8.838 1.00 61.20 H new ATOM 0 HA LEU A 28 4.752 -17.315 10.191 1.00 41.31 H new ATOM 0 HB2 LEU A 28 5.432 -16.628 7.338 1.00 52.52 H new ATOM 0 HB3 LEU A 28 5.183 -18.279 7.872 1.00 52.52 H new ATOM 0 HG LEU A 28 3.127 -16.075 8.156 1.00 53.20 H new ATOM 0 HD11 LEU A 28 1.987 -17.181 6.273 1.00 60.41 H new ATOM 0 HD12 LEU A 28 3.587 -16.561 5.801 1.00 60.41 H new ATOM 0 HD13 LEU A 28 3.361 -18.299 6.108 1.00 60.41 H new ATOM 0 HD21 LEU A 28 1.581 -17.960 8.521 1.00 52.14 H new ATOM 0 HD22 LEU A 28 2.947 -19.094 8.400 1.00 52.14 H new ATOM 0 HD23 LEU A 28 2.876 -17.927 9.742 1.00 52.14 H new ATOM 256 N ILE A 29 7.791 -16.675 9.224 1.00 22.14 N ATOM 257 CA ILE A 29 9.190 -16.996 9.447 1.00 72.34 C ATOM 258 C ILE A 29 9.437 -17.263 10.944 1.00 4.11 C ATOM 259 O ILE A 29 9.953 -18.303 11.325 1.00 51.03 O ATOM 260 CB ILE A 29 10.072 -15.824 8.938 1.00 61.21 C ATOM 261 CG1 ILE A 29 10.019 -15.750 7.398 1.00 42.34 C ATOM 262 CG2 ILE A 29 11.492 -15.916 9.455 1.00 0.24 C ATOM 263 CD1 ILE A 29 10.818 -14.614 6.794 1.00 11.01 C ATOM 0 H ILE A 29 7.645 -15.823 8.683 1.00 22.14 H new ATOM 0 HA ILE A 29 9.454 -17.898 8.896 1.00 72.34 H new ATOM 0 HB ILE A 29 9.666 -14.894 9.336 1.00 61.21 H new ATOM 0 HG12 ILE A 29 10.385 -16.692 6.989 1.00 42.34 H new ATOM 0 HG13 ILE A 29 8.979 -15.651 7.088 1.00 42.34 H new ATOM 0 HG21 ILE A 29 12.073 -15.076 9.074 1.00 0.24 H new ATOM 0 HG22 ILE A 29 11.485 -15.888 10.545 1.00 0.24 H new ATOM 0 HG23 ILE A 29 11.942 -16.850 9.119 1.00 0.24 H new ATOM 0 HD11 ILE A 29 10.723 -14.639 5.708 1.00 11.01 H new ATOM 0 HD12 ILE A 29 10.439 -13.663 7.169 1.00 11.01 H new ATOM 0 HD13 ILE A 29 11.867 -14.721 7.069 1.00 11.01 H new ATOM 275 N GLN A 30 8.964 -16.368 11.766 1.00 40.12 N ATOM 276 CA GLN A 30 9.135 -16.473 13.199 1.00 15.43 C ATOM 277 C GLN A 30 8.162 -17.500 13.835 1.00 15.21 C ATOM 278 O GLN A 30 8.504 -18.168 14.794 1.00 61.52 O ATOM 279 CB GLN A 30 8.974 -15.093 13.820 1.00 22.34 C ATOM 280 CG GLN A 30 10.058 -14.106 13.389 1.00 70.21 C ATOM 281 CD GLN A 30 9.870 -12.710 13.963 1.00 54.34 C ATOM 282 OE1 GLN A 30 8.638 -12.303 14.164 1.00 2.24 O flip ATOM 283 NE2 GLN A 30 10.822 -11.996 14.203 1.00 23.21 N flip ATOM 0 H GLN A 30 8.447 -15.541 11.466 1.00 40.12 H new ATOM 0 HA GLN A 30 10.138 -16.847 13.402 1.00 15.43 H new ATOM 0 HB2 GLN A 30 7.998 -14.691 13.548 1.00 22.34 H new ATOM 0 HB3 GLN A 30 8.989 -15.187 14.906 1.00 22.34 H new ATOM 0 HG2 GLN A 30 11.031 -14.489 13.698 1.00 70.21 H new ATOM 0 HG3 GLN A 30 10.070 -14.044 12.301 1.00 70.21 H new ATOM 0 HE21 GLN A 30 11.769 -12.336 14.038 1.00 23.21 H new ATOM 0 HE22 GLN A 30 10.675 -11.056 14.570 1.00 23.21 H new ATOM 292 N GLU A 31 6.969 -17.619 13.268 1.00 24.11 N ATOM 293 CA GLU A 31 5.918 -18.542 13.752 1.00 41.51 C ATOM 294 C GLU A 31 6.339 -20.007 13.547 1.00 44.24 C ATOM 295 O GLU A 31 6.139 -20.861 14.419 1.00 73.54 O ATOM 296 CB GLU A 31 4.614 -18.254 12.977 1.00 74.32 C ATOM 297 CG GLU A 31 3.400 -19.108 13.342 1.00 45.40 C ATOM 298 CD GLU A 31 2.900 -18.889 14.749 1.00 74.43 C ATOM 299 OE1 GLU A 31 2.347 -17.805 15.035 1.00 34.33 O ATOM 300 OE2 GLU A 31 3.016 -19.802 15.585 1.00 3.33 O ATOM 0 H GLU A 31 6.688 -17.078 12.450 1.00 24.11 H new ATOM 0 HA GLU A 31 5.764 -18.384 14.819 1.00 41.51 H new ATOM 0 HB2 GLU A 31 4.352 -17.207 13.128 1.00 74.32 H new ATOM 0 HB3 GLU A 31 4.814 -18.383 11.913 1.00 74.32 H new ATOM 0 HG2 GLU A 31 2.593 -18.892 12.642 1.00 45.40 H new ATOM 0 HG3 GLU A 31 3.657 -20.160 13.218 1.00 45.40 H new ATOM 307 N LEU A 32 6.922 -20.274 12.393 1.00 31.24 N ATOM 308 CA LEU A 32 7.357 -21.614 12.020 1.00 71.22 C ATOM 309 C LEU A 32 8.768 -21.900 12.525 1.00 73.35 C ATOM 310 O LEU A 32 9.253 -23.016 12.391 1.00 30.22 O ATOM 311 CB LEU A 32 7.313 -21.811 10.484 1.00 43.32 C ATOM 312 CG LEU A 32 5.931 -21.969 9.787 1.00 20.42 C ATOM 313 CD1 LEU A 32 5.041 -20.762 9.956 1.00 52.20 C ATOM 314 CD2 LEU A 32 6.134 -22.243 8.322 1.00 4.34 C ATOM 0 H LEU A 32 7.109 -19.567 11.682 1.00 31.24 H new ATOM 0 HA LEU A 32 6.665 -22.314 12.488 1.00 71.22 H new ATOM 0 HB2 LEU A 32 7.817 -20.959 10.028 1.00 43.32 H new ATOM 0 HB3 LEU A 32 7.905 -22.695 10.248 1.00 43.32 H new ATOM 0 HG LEU A 32 5.426 -22.806 10.269 1.00 20.42 H new ATOM 0 HD11 LEU A 32 4.093 -20.935 9.447 1.00 52.20 H new ATOM 0 HD12 LEU A 32 4.858 -20.591 11.017 1.00 52.20 H new ATOM 0 HD13 LEU A 32 5.529 -19.887 9.526 1.00 52.20 H new ATOM 0 HD21 LEU A 32 5.165 -22.354 7.835 1.00 4.34 H new ATOM 0 HD22 LEU A 32 6.676 -21.413 7.868 1.00 4.34 H new ATOM 0 HD23 LEU A 32 6.708 -23.161 8.200 1.00 4.34 H new ATOM 326 N ASN A 33 9.416 -20.865 13.102 1.00 32.23 N ATOM 327 CA ASN A 33 10.807 -20.950 13.624 1.00 11.45 C ATOM 328 C ASN A 33 11.758 -21.208 12.428 1.00 11.11 C ATOM 329 O ASN A 33 12.840 -21.784 12.546 1.00 44.53 O ATOM 330 CB ASN A 33 10.900 -22.063 14.733 1.00 53.42 C ATOM 331 CG ASN A 33 12.146 -22.016 15.660 1.00 44.20 C ATOM 332 OD1 ASN A 33 12.048 -22.342 16.837 1.00 50.12 O ATOM 333 ND2 ASN A 33 13.303 -21.691 15.150 1.00 13.14 N ATOM 0 H ASN A 33 8.994 -19.944 13.221 1.00 32.23 H new ATOM 0 HA ASN A 33 11.106 -20.017 14.102 1.00 11.45 H new ATOM 0 HB2 ASN A 33 10.008 -21.999 15.357 1.00 53.42 H new ATOM 0 HB3 ASN A 33 10.876 -23.036 14.242 1.00 53.42 H new ATOM 0 HD21 ASN A 33 14.140 -21.707 15.733 1.00 13.14 H new ATOM 0 HD22 ASN A 33 13.370 -21.422 14.169 1.00 13.14 H new ATOM 340 N LEU A 34 11.364 -20.683 11.299 1.00 4.44 N ATOM 341 CA LEU A 34 12.079 -20.852 10.068 1.00 13.14 C ATOM 342 C LEU A 34 12.894 -19.630 9.710 1.00 61.42 C ATOM 343 O LEU A 34 12.983 -18.670 10.466 1.00 70.34 O ATOM 344 CB LEU A 34 11.125 -21.202 8.913 1.00 2.22 C ATOM 345 CG LEU A 34 10.690 -22.657 8.793 1.00 45.33 C ATOM 346 CD1 LEU A 34 9.826 -22.820 7.570 1.00 64.51 C ATOM 347 CD2 LEU A 34 11.897 -23.578 8.694 1.00 53.13 C ATOM 0 H LEU A 34 10.521 -20.116 11.210 1.00 4.44 H new ATOM 0 HA LEU A 34 12.768 -21.682 10.221 1.00 13.14 H new ATOM 0 HB2 LEU A 34 10.230 -20.588 9.015 1.00 2.22 H new ATOM 0 HB3 LEU A 34 11.605 -20.914 7.978 1.00 2.22 H new ATOM 0 HG LEU A 34 10.125 -22.927 9.685 1.00 45.33 H new ATOM 0 HD11 LEU A 34 9.513 -23.860 7.482 1.00 64.51 H new ATOM 0 HD12 LEU A 34 8.946 -22.183 7.659 1.00 64.51 H new ATOM 0 HD13 LEU A 34 10.393 -22.535 6.684 1.00 64.51 H new ATOM 0 HD21 LEU A 34 11.560 -24.611 8.609 1.00 53.13 H new ATOM 0 HD22 LEU A 34 12.485 -23.315 7.815 1.00 53.13 H new ATOM 0 HD23 LEU A 34 12.512 -23.469 9.587 1.00 53.13 H new ATOM 359 N THR A 35 13.495 -19.692 8.558 1.00 11.53 N ATOM 360 CA THR A 35 14.278 -18.634 8.018 1.00 41.02 C ATOM 361 C THR A 35 13.722 -18.315 6.630 1.00 2.35 C ATOM 362 O THR A 35 13.058 -19.176 6.037 1.00 50.42 O ATOM 363 CB THR A 35 15.765 -19.064 7.936 1.00 53.21 C ATOM 364 OG1 THR A 35 15.856 -20.370 7.345 1.00 51.13 O ATOM 365 CG2 THR A 35 16.404 -19.092 9.318 1.00 45.22 C ATOM 0 H THR A 35 13.448 -20.511 7.952 1.00 11.53 H new ATOM 0 HA THR A 35 14.229 -17.748 8.652 1.00 41.02 H new ATOM 0 HB THR A 35 16.297 -18.337 7.322 1.00 53.21 H new ATOM 0 HG1 THR A 35 16.797 -20.640 7.292 1.00 51.13 H new ATOM 0 HG21 THR A 35 17.447 -19.397 9.231 1.00 45.22 H new ATOM 0 HG22 THR A 35 16.353 -18.098 9.763 1.00 45.22 H new ATOM 0 HG23 THR A 35 15.871 -19.801 9.951 1.00 45.22 H new ATOM 373 N PRO A 36 13.961 -17.097 6.090 1.00 25.34 N ATOM 374 CA PRO A 36 13.415 -16.675 4.780 1.00 62.23 C ATOM 375 C PRO A 36 13.707 -17.666 3.638 1.00 55.21 C ATOM 376 O PRO A 36 12.869 -17.902 2.793 1.00 44.12 O ATOM 377 CB PRO A 36 14.112 -15.340 4.507 1.00 1.01 C ATOM 378 CG PRO A 36 14.498 -14.817 5.847 1.00 64.44 C ATOM 379 CD PRO A 36 14.756 -16.016 6.719 1.00 60.33 C ATOM 0 HA PRO A 36 12.327 -16.615 4.818 1.00 62.23 H new ATOM 0 HB2 PRO A 36 14.987 -15.476 3.871 1.00 1.01 H new ATOM 0 HB3 PRO A 36 13.447 -14.647 3.991 1.00 1.01 H new ATOM 0 HG2 PRO A 36 15.387 -14.191 5.777 1.00 64.44 H new ATOM 0 HG3 PRO A 36 13.704 -14.198 6.265 1.00 64.44 H new ATOM 0 HD2 PRO A 36 15.816 -16.267 6.749 1.00 60.33 H new ATOM 0 HD3 PRO A 36 14.442 -15.836 7.747 1.00 60.33 H new ATOM 387 N GLN A 37 14.884 -18.277 3.659 1.00 3.21 N ATOM 388 CA GLN A 37 15.297 -19.192 2.580 1.00 2.22 C ATOM 389 C GLN A 37 14.599 -20.543 2.681 1.00 72.35 C ATOM 390 O GLN A 37 14.719 -21.369 1.795 1.00 64.40 O ATOM 391 CB GLN A 37 16.830 -19.405 2.531 1.00 30.12 C ATOM 392 CG GLN A 37 17.683 -18.135 2.566 1.00 32.25 C ATOM 393 CD GLN A 37 17.920 -17.621 3.982 1.00 21.03 C ATOM 394 OE1 GLN A 37 17.150 -16.841 4.517 1.00 62.31 O ATOM 395 NE2 GLN A 37 18.992 -18.057 4.590 1.00 54.53 N ATOM 0 H GLN A 37 15.573 -18.163 4.403 1.00 3.21 H new ATOM 0 HA GLN A 37 14.993 -18.705 1.654 1.00 2.22 H new ATOM 0 HB2 GLN A 37 17.117 -20.035 3.373 1.00 30.12 H new ATOM 0 HB3 GLN A 37 17.072 -19.957 1.623 1.00 30.12 H new ATOM 0 HG2 GLN A 37 18.644 -18.335 2.091 1.00 32.25 H new ATOM 0 HG3 GLN A 37 17.193 -17.358 1.979 1.00 32.25 H new ATOM 0 HE21 GLN A 37 19.617 -18.709 4.117 1.00 54.53 H new ATOM 0 HE22 GLN A 37 19.203 -17.745 5.538 1.00 54.53 H new ATOM 404 N GLN A 38 13.906 -20.766 3.766 1.00 63.02 N ATOM 405 CA GLN A 38 13.157 -21.994 3.933 1.00 4.42 C ATOM 406 C GLN A 38 11.697 -21.719 3.667 1.00 20.53 C ATOM 407 O GLN A 38 10.872 -22.632 3.565 1.00 74.55 O ATOM 408 CB GLN A 38 13.349 -22.557 5.342 1.00 44.34 C ATOM 409 CG GLN A 38 14.775 -23.005 5.632 1.00 61.22 C ATOM 410 CD GLN A 38 15.217 -24.156 4.745 1.00 2.15 C ATOM 411 OE1 GLN A 38 14.424 -24.984 4.341 1.00 61.23 O ATOM 412 NE2 GLN A 38 16.485 -24.207 4.434 1.00 72.40 N ATOM 0 H GLN A 38 13.841 -20.117 4.550 1.00 63.02 H new ATOM 0 HA GLN A 38 13.522 -22.738 3.225 1.00 4.42 H new ATOM 0 HB2 GLN A 38 13.061 -21.798 6.069 1.00 44.34 H new ATOM 0 HB3 GLN A 38 12.676 -23.403 5.481 1.00 44.34 H new ATOM 0 HG2 GLN A 38 15.452 -22.162 5.492 1.00 61.22 H new ATOM 0 HG3 GLN A 38 14.852 -23.306 6.677 1.00 61.22 H new ATOM 0 HE21 GLN A 38 17.126 -23.497 4.789 1.00 72.40 H new ATOM 0 HE22 GLN A 38 16.834 -24.956 3.837 1.00 72.40 H new ATOM 421 N LEU A 39 11.382 -20.457 3.518 1.00 24.30 N ATOM 422 CA LEU A 39 10.043 -20.058 3.312 1.00 24.05 C ATOM 423 C LEU A 39 9.801 -19.355 2.013 1.00 54.25 C ATOM 424 O LEU A 39 9.810 -18.130 1.923 1.00 31.21 O ATOM 425 CB LEU A 39 9.435 -19.302 4.496 1.00 75.44 C ATOM 426 CG LEU A 39 8.879 -20.139 5.627 1.00 31.35 C ATOM 427 CD1 LEU A 39 8.347 -19.237 6.718 1.00 74.45 C ATOM 428 CD2 LEU A 39 7.778 -21.050 5.116 1.00 74.33 C ATOM 0 H LEU A 39 12.056 -19.691 3.538 1.00 24.30 H new ATOM 0 HA LEU A 39 9.503 -21.002 3.241 1.00 24.05 H new ATOM 0 HB2 LEU A 39 10.199 -18.642 4.906 1.00 75.44 H new ATOM 0 HB3 LEU A 39 8.634 -18.667 4.118 1.00 75.44 H new ATOM 0 HG LEU A 39 9.678 -20.758 6.036 1.00 31.35 H new ATOM 0 HD11 LEU A 39 7.948 -19.845 7.530 1.00 74.45 H new ATOM 0 HD12 LEU A 39 9.154 -18.610 7.097 1.00 74.45 H new ATOM 0 HD13 LEU A 39 7.555 -18.606 6.314 1.00 74.45 H new ATOM 0 HD21 LEU A 39 7.387 -21.646 5.940 1.00 74.33 H new ATOM 0 HD22 LEU A 39 6.975 -20.447 4.691 1.00 74.33 H new ATOM 0 HD23 LEU A 39 8.180 -21.711 4.349 1.00 74.33 H new ATOM 440 N HIS A 40 9.646 -20.153 1.006 1.00 71.43 N ATOM 441 CA HIS A 40 9.125 -19.712 -0.261 1.00 13.34 C ATOM 442 C HIS A 40 7.640 -19.515 -0.049 1.00 14.30 C ATOM 443 O HIS A 40 7.073 -20.033 0.934 1.00 32.54 O ATOM 444 CB HIS A 40 9.197 -20.830 -1.299 1.00 2.33 C ATOM 445 CG HIS A 40 10.498 -21.198 -1.908 1.00 1.45 C ATOM 446 ND1 HIS A 40 10.655 -21.231 -3.264 1.00 15.02 N ATOM 447 CD2 HIS A 40 11.623 -21.734 -1.386 1.00 30.03 C ATOM 448 CE1 HIS A 40 11.798 -21.785 -3.545 1.00 21.11 C ATOM 449 NE2 HIS A 40 12.458 -22.115 -2.441 1.00 24.20 N ATOM 0 H HIS A 40 9.879 -21.146 1.034 1.00 71.43 H new ATOM 0 HA HIS A 40 9.679 -18.833 -0.591 1.00 13.34 H new ATOM 0 HB2 HIS A 40 8.791 -21.729 -0.835 1.00 2.33 H new ATOM 0 HB3 HIS A 40 8.524 -20.560 -2.113 1.00 2.33 H new ATOM 0 HD1 HIS A 40 9.984 -20.878 -3.947 1.00 15.02 H new ATOM 0 HD2 HIS A 40 11.840 -21.849 -0.334 1.00 30.03 H new ATOM 0 HE1 HIS A 40 12.163 -21.955 -4.547 1.00 21.11 H new ATOM 457 N GLU A 41 6.976 -18.845 -0.942 1.00 14.31 N ATOM 458 CA GLU A 41 5.557 -18.807 -0.833 1.00 1.53 C ATOM 459 C GLU A 41 4.977 -20.083 -1.477 1.00 51.53 C ATOM 460 O GLU A 41 3.817 -20.462 -1.269 1.00 52.52 O ATOM 461 CB GLU A 41 4.921 -17.468 -1.293 1.00 33.53 C ATOM 462 CG GLU A 41 5.238 -16.957 -2.683 1.00 4.44 C ATOM 463 CD GLU A 41 4.510 -15.638 -2.943 1.00 42.14 C ATOM 464 OE1 GLU A 41 5.059 -14.570 -2.603 1.00 30.12 O ATOM 465 OE2 GLU A 41 3.359 -15.659 -3.438 1.00 43.52 O ATOM 0 H GLU A 41 7.380 -18.335 -1.727 1.00 14.31 H new ATOM 0 HA GLU A 41 5.276 -18.819 0.220 1.00 1.53 H new ATOM 0 HB2 GLU A 41 3.839 -17.572 -1.217 1.00 33.53 H new ATOM 0 HB3 GLU A 41 5.218 -16.698 -0.581 1.00 33.53 H new ATOM 0 HG2 GLU A 41 6.313 -16.813 -2.788 1.00 4.44 H new ATOM 0 HG3 GLU A 41 4.941 -17.697 -3.426 1.00 4.44 H new ATOM 472 N GLU A 42 5.863 -20.777 -2.170 1.00 23.25 N ATOM 473 CA GLU A 42 5.629 -22.073 -2.785 1.00 74.11 C ATOM 474 C GLU A 42 5.751 -23.184 -1.723 1.00 72.04 C ATOM 475 O GLU A 42 5.338 -24.323 -1.954 1.00 42.44 O ATOM 476 CB GLU A 42 6.709 -22.337 -3.886 1.00 33.42 C ATOM 477 CG GLU A 42 6.873 -21.248 -4.948 1.00 15.12 C ATOM 478 CD GLU A 42 7.861 -20.174 -4.533 1.00 14.15 C ATOM 479 OE1 GLU A 42 7.546 -19.364 -3.646 1.00 5.33 O ATOM 480 OE2 GLU A 42 8.992 -20.198 -5.038 1.00 52.32 O ATOM 0 H GLU A 42 6.811 -20.436 -2.327 1.00 23.25 H new ATOM 0 HA GLU A 42 4.631 -22.076 -3.223 1.00 74.11 H new ATOM 0 HB2 GLU A 42 7.671 -22.483 -3.394 1.00 33.42 H new ATOM 0 HB3 GLU A 42 6.463 -23.272 -4.389 1.00 33.42 H new ATOM 0 HG2 GLU A 42 7.206 -21.702 -5.881 1.00 15.12 H new ATOM 0 HG3 GLU A 42 5.904 -20.789 -5.145 1.00 15.12 H new ATOM 487 N SER A 43 6.311 -22.850 -0.570 1.00 50.43 N ATOM 488 CA SER A 43 6.476 -23.813 0.497 1.00 24.24 C ATOM 489 C SER A 43 5.130 -24.152 1.137 1.00 10.35 C ATOM 490 O SER A 43 4.288 -23.262 1.365 1.00 70.41 O ATOM 491 CB SER A 43 7.449 -23.285 1.571 1.00 74.33 C ATOM 492 OG SER A 43 8.752 -23.058 1.039 1.00 14.13 O ATOM 0 H SER A 43 6.658 -21.916 -0.354 1.00 50.43 H new ATOM 0 HA SER A 43 6.896 -24.720 0.062 1.00 24.24 H new ATOM 0 HB2 SER A 43 7.060 -22.356 1.989 1.00 74.33 H new ATOM 0 HB3 SER A 43 7.510 -24.002 2.390 1.00 74.33 H new ATOM 0 HG SER A 43 9.385 -22.913 1.773 1.00 14.13 H new ATOM 498 N ASN A 44 4.912 -25.439 1.387 1.00 2.44 N ATOM 499 CA ASN A 44 3.727 -25.877 2.100 1.00 54.13 C ATOM 500 C ASN A 44 3.907 -25.426 3.524 1.00 15.33 C ATOM 501 O ASN A 44 4.855 -25.829 4.160 1.00 70.44 O ATOM 502 CB ASN A 44 3.608 -27.395 2.121 1.00 74.42 C ATOM 503 CG ASN A 44 2.254 -27.849 2.659 1.00 4.12 C ATOM 504 OD1 ASN A 44 2.059 -27.980 3.865 1.00 1.44 O ATOM 505 ND2 ASN A 44 1.321 -28.107 1.774 1.00 0.23 N ATOM 0 H ASN A 44 5.541 -26.191 1.106 1.00 2.44 H new ATOM 0 HA ASN A 44 2.840 -25.469 1.616 1.00 54.13 H new ATOM 0 HB2 ASN A 44 3.748 -27.785 1.113 1.00 74.42 H new ATOM 0 HB3 ASN A 44 4.403 -27.814 2.738 1.00 74.42 H new ATOM 0 HD21 ASN A 44 0.402 -28.426 2.080 1.00 0.23 H new ATOM 0 HD22 ASN A 44 1.514 -27.988 0.780 1.00 0.23 H new ATOM 512 N LEU A 45 3.010 -24.638 4.031 1.00 44.12 N ATOM 513 CA LEU A 45 3.230 -24.027 5.327 1.00 41.23 C ATOM 514 C LEU A 45 3.013 -24.976 6.468 1.00 10.04 C ATOM 515 O LEU A 45 3.673 -24.871 7.485 1.00 24.01 O ATOM 516 CB LEU A 45 2.400 -22.780 5.486 1.00 60.21 C ATOM 517 CG LEU A 45 2.637 -21.718 4.432 1.00 55.23 C ATOM 518 CD1 LEU A 45 1.786 -20.504 4.712 1.00 3.32 C ATOM 519 CD2 LEU A 45 4.110 -21.333 4.358 1.00 51.31 C ATOM 0 H LEU A 45 2.126 -24.398 3.583 1.00 44.12 H new ATOM 0 HA LEU A 45 4.283 -23.746 5.361 1.00 41.23 H new ATOM 0 HB2 LEU A 45 1.346 -23.058 5.470 1.00 60.21 H new ATOM 0 HB3 LEU A 45 2.602 -22.349 6.467 1.00 60.21 H new ATOM 0 HG LEU A 45 2.351 -22.132 3.465 1.00 55.23 H new ATOM 0 HD11 LEU A 45 1.966 -19.749 3.947 1.00 3.32 H new ATOM 0 HD12 LEU A 45 0.733 -20.787 4.701 1.00 3.32 H new ATOM 0 HD13 LEU A 45 2.042 -20.098 5.690 1.00 3.32 H new ATOM 0 HD21 LEU A 45 4.248 -20.569 3.593 1.00 51.31 H new ATOM 0 HD22 LEU A 45 4.433 -20.943 5.323 1.00 51.31 H new ATOM 0 HD23 LEU A 45 4.703 -22.212 4.105 1.00 51.31 H new ATOM 531 N ILE A 46 2.115 -25.903 6.293 1.00 5.21 N ATOM 532 CA ILE A 46 1.849 -26.899 7.337 1.00 1.55 C ATOM 533 C ILE A 46 3.041 -27.845 7.452 1.00 32.04 C ATOM 534 O ILE A 46 3.577 -28.074 8.525 1.00 34.14 O ATOM 535 CB ILE A 46 0.532 -27.681 7.075 1.00 12.25 C ATOM 536 CG1 ILE A 46 -0.645 -26.692 7.065 1.00 10.13 C ATOM 537 CG2 ILE A 46 0.317 -28.782 8.123 1.00 12.24 C ATOM 538 CD1 ILE A 46 -2.011 -27.331 6.869 1.00 42.31 C ATOM 0 H ILE A 46 1.549 -26.005 5.450 1.00 5.21 H new ATOM 0 HA ILE A 46 1.714 -26.376 8.284 1.00 1.55 H new ATOM 0 HB ILE A 46 0.599 -28.174 6.105 1.00 12.25 H new ATOM 0 HG12 ILE A 46 -0.648 -26.142 8.006 1.00 10.13 H new ATOM 0 HG13 ILE A 46 -0.483 -25.963 6.271 1.00 10.13 H new ATOM 0 HG21 ILE A 46 -0.613 -29.310 7.911 1.00 12.24 H new ATOM 0 HG22 ILE A 46 1.149 -29.485 8.088 1.00 12.24 H new ATOM 0 HG23 ILE A 46 0.262 -28.334 9.115 1.00 12.24 H new ATOM 0 HD11 ILE A 46 -2.779 -26.557 6.876 1.00 42.31 H new ATOM 0 HD12 ILE A 46 -2.033 -27.856 5.914 1.00 42.31 H new ATOM 0 HD13 ILE A 46 -2.201 -28.038 7.676 1.00 42.31 H new ATOM 550 N GLN A 47 3.501 -28.293 6.313 1.00 71.23 N ATOM 551 CA GLN A 47 4.668 -29.162 6.212 1.00 12.45 C ATOM 552 C GLN A 47 5.969 -28.414 6.569 1.00 12.33 C ATOM 553 O GLN A 47 7.026 -29.015 6.691 1.00 23.33 O ATOM 554 CB GLN A 47 4.727 -29.769 4.801 1.00 40.52 C ATOM 555 CG GLN A 47 3.676 -30.844 4.543 1.00 74.55 C ATOM 556 CD GLN A 47 3.817 -32.050 5.461 1.00 12.25 C ATOM 557 OE1 GLN A 47 4.899 -32.404 5.884 1.00 41.04 O ATOM 558 NE2 GLN A 47 2.715 -32.683 5.774 1.00 53.33 N ATOM 0 H GLN A 47 3.078 -28.068 5.413 1.00 71.23 H new ATOM 0 HA GLN A 47 4.572 -29.969 6.938 1.00 12.45 H new ATOM 0 HB2 GLN A 47 4.604 -28.972 4.068 1.00 40.52 H new ATOM 0 HB3 GLN A 47 5.717 -30.197 4.642 1.00 40.52 H new ATOM 0 HG2 GLN A 47 2.684 -30.412 4.671 1.00 74.55 H new ATOM 0 HG3 GLN A 47 3.749 -31.173 3.507 1.00 74.55 H new ATOM 0 HE21 GLN A 47 1.820 -32.363 5.404 1.00 53.33 H new ATOM 0 HE22 GLN A 47 2.751 -33.496 6.388 1.00 53.33 H new ATOM 567 N ALA A 48 5.874 -27.101 6.711 1.00 53.15 N ATOM 568 CA ALA A 48 7.019 -26.287 7.051 1.00 33.20 C ATOM 569 C ALA A 48 6.967 -25.782 8.499 1.00 41.35 C ATOM 570 O ALA A 48 7.927 -25.183 8.972 1.00 24.53 O ATOM 571 CB ALA A 48 7.153 -25.118 6.081 1.00 24.34 C ATOM 0 H ALA A 48 5.006 -26.578 6.594 1.00 53.15 H new ATOM 0 HA ALA A 48 7.900 -26.923 6.965 1.00 33.20 H new ATOM 0 HB1 ALA A 48 8.021 -24.517 6.353 1.00 24.34 H new ATOM 0 HB2 ALA A 48 7.279 -25.499 5.067 1.00 24.34 H new ATOM 0 HB3 ALA A 48 6.255 -24.502 6.128 1.00 24.34 H new ATOM 577 N GLY A 49 5.859 -26.006 9.210 1.00 5.43 N ATOM 578 CA GLY A 49 5.816 -25.533 10.585 1.00 12.42 C ATOM 579 C GLY A 49 4.432 -25.172 11.112 1.00 33.02 C ATOM 580 O GLY A 49 4.233 -25.140 12.325 1.00 33.23 O ATOM 0 H GLY A 49 5.024 -26.486 8.875 1.00 5.43 H new ATOM 0 HA2 GLY A 49 6.241 -26.303 11.229 1.00 12.42 H new ATOM 0 HA3 GLY A 49 6.458 -24.656 10.669 1.00 12.42 H new ATOM 584 N LEU A 50 3.487 -24.857 10.237 1.00 34.43 N ATOM 585 CA LEU A 50 2.124 -24.561 10.697 1.00 34.20 C ATOM 586 C LEU A 50 1.408 -25.839 11.018 1.00 11.42 C ATOM 587 O LEU A 50 1.667 -26.859 10.409 1.00 23.51 O ATOM 588 CB LEU A 50 1.290 -23.768 9.667 1.00 41.24 C ATOM 589 CG LEU A 50 1.695 -22.320 9.390 1.00 2.23 C ATOM 590 CD1 LEU A 50 0.740 -21.701 8.388 1.00 54.02 C ATOM 591 CD2 LEU A 50 1.685 -21.505 10.665 1.00 21.23 C ATOM 0 H LEU A 50 3.626 -24.799 9.228 1.00 34.43 H new ATOM 0 HA LEU A 50 2.227 -23.936 11.584 1.00 34.20 H new ATOM 0 HB2 LEU A 50 1.319 -24.311 8.722 1.00 41.24 H new ATOM 0 HB3 LEU A 50 0.253 -23.768 10.003 1.00 41.24 H new ATOM 0 HG LEU A 50 2.706 -22.320 8.983 1.00 2.23 H new ATOM 0 HD11 LEU A 50 1.034 -20.669 8.195 1.00 54.02 H new ATOM 0 HD12 LEU A 50 0.771 -22.268 7.457 1.00 54.02 H new ATOM 0 HD13 LEU A 50 -0.273 -21.720 8.791 1.00 54.02 H new ATOM 0 HD21 LEU A 50 1.976 -20.478 10.443 1.00 21.23 H new ATOM 0 HD22 LEU A 50 0.683 -21.513 11.094 1.00 21.23 H new ATOM 0 HD23 LEU A 50 2.388 -21.936 11.378 1.00 21.23 H new ATOM 603 N ASP A 51 0.532 -25.788 11.969 1.00 22.11 N ATOM 604 CA ASP A 51 -0.221 -26.932 12.335 1.00 11.05 C ATOM 605 C ASP A 51 -1.667 -26.796 11.889 1.00 52.23 C ATOM 606 O ASP A 51 -2.002 -27.023 10.735 1.00 1.41 O ATOM 607 CB ASP A 51 -0.079 -27.232 13.864 1.00 41.01 C ATOM 608 CG ASP A 51 -0.070 -25.968 14.740 1.00 60.11 C ATOM 609 OD1 ASP A 51 -1.146 -25.348 14.966 1.00 15.43 O ATOM 610 OD2 ASP A 51 1.040 -25.542 15.160 1.00 14.02 O ATOM 0 H ASP A 51 0.322 -24.950 12.511 1.00 22.11 H new ATOM 0 HA ASP A 51 0.184 -27.798 11.812 1.00 11.05 H new ATOM 0 HB2 ASP A 51 -0.901 -27.876 14.178 1.00 41.01 H new ATOM 0 HB3 ASP A 51 0.843 -27.788 14.033 1.00 41.01 H new ATOM 667 N ILE A 53 -4.189 -24.998 14.552 1.00 60.55 N ATOM 668 CA ILE A 53 -4.440 -23.888 15.466 1.00 42.24 C ATOM 669 C ILE A 53 -3.626 -22.645 15.064 1.00 33.41 C ATOM 670 O ILE A 53 -4.156 -21.526 15.048 1.00 55.20 O ATOM 671 CB ILE A 53 -4.038 -24.298 16.897 1.00 41.12 C ATOM 672 CG1 ILE A 53 -4.862 -25.515 17.365 1.00 13.11 C ATOM 673 CG2 ILE A 53 -4.177 -23.125 17.882 1.00 22.42 C ATOM 674 CD1 ILE A 53 -6.375 -25.302 17.363 1.00 32.50 C ATOM 0 HA ILE A 53 -5.502 -23.646 15.421 1.00 42.24 H new ATOM 0 HB ILE A 53 -2.986 -24.583 16.878 1.00 41.12 H new ATOM 0 HG12 ILE A 53 -4.628 -26.364 16.723 1.00 13.11 H new ATOM 0 HG13 ILE A 53 -4.548 -25.783 18.374 1.00 13.11 H new ATOM 0 HG21 ILE A 53 -3.885 -23.451 18.880 1.00 22.42 H new ATOM 0 HG22 ILE A 53 -3.532 -22.305 17.565 1.00 22.42 H new ATOM 0 HG23 ILE A 53 -5.213 -22.786 17.900 1.00 22.42 H new ATOM 0 HD11 ILE A 53 -6.871 -26.210 17.706 1.00 32.50 H new ATOM 0 HD12 ILE A 53 -6.627 -24.477 18.029 1.00 32.50 H new ATOM 0 HD13 ILE A 53 -6.708 -25.067 16.352 1.00 32.50 H new ATOM 686 N ARG A 54 -2.345 -22.856 14.719 1.00 40.02 N ATOM 687 CA ARG A 54 -1.483 -21.788 14.220 1.00 43.23 C ATOM 688 C ARG A 54 -2.073 -21.090 13.031 1.00 2.32 C ATOM 689 O ARG A 54 -2.102 -19.871 12.957 1.00 43.14 O ATOM 690 CB ARG A 54 -0.176 -22.327 13.787 1.00 51.14 C ATOM 691 CG ARG A 54 0.834 -22.414 14.857 1.00 72.51 C ATOM 692 CD ARG A 54 2.117 -22.704 14.215 1.00 34.53 C ATOM 693 NE ARG A 54 3.271 -22.548 15.079 1.00 23.42 N ATOM 694 CZ ARG A 54 4.079 -23.547 15.394 1.00 10.01 C ATOM 695 NH1 ARG A 54 3.605 -24.804 15.418 1.00 13.04 N ATOM 696 NH2 ARG A 54 5.334 -23.289 15.769 1.00 0.11 N ATOM 0 H ARG A 54 -1.887 -23.765 14.780 1.00 40.02 H new ATOM 0 HA ARG A 54 -1.372 -21.087 15.047 1.00 43.23 H new ATOM 0 HB2 ARG A 54 -0.328 -23.321 13.367 1.00 51.14 H new ATOM 0 HB3 ARG A 54 0.215 -21.699 12.986 1.00 51.14 H new ATOM 0 HG2 ARG A 54 0.885 -21.479 15.415 1.00 72.51 H new ATOM 0 HG3 ARG A 54 0.574 -23.197 15.569 1.00 72.51 H new ATOM 0 HD2 ARG A 54 2.097 -23.726 13.838 1.00 34.53 H new ATOM 0 HD3 ARG A 54 2.234 -22.048 13.352 1.00 34.53 H new ATOM 0 HE ARG A 54 3.469 -21.624 15.462 1.00 23.42 H new ATOM 0 HH11 ARG A 54 2.626 -24.984 15.194 1.00 13.04 H new ATOM 0 HH12 ARG A 54 4.224 -25.578 15.660 1.00 13.04 H new ATOM 0 HH21 ARG A 54 5.666 -22.325 15.812 1.00 0.11 H new ATOM 0 HH22 ARG A 54 5.961 -24.056 16.013 1.00 0.11 H new ATOM 710 N LEU A 55 -2.566 -21.872 12.131 1.00 64.44 N ATOM 711 CA LEU A 55 -3.093 -21.404 10.895 1.00 13.11 C ATOM 712 C LEU A 55 -4.444 -20.760 11.093 1.00 0.40 C ATOM 713 O LEU A 55 -4.737 -19.745 10.465 1.00 21.14 O ATOM 714 CB LEU A 55 -3.157 -22.549 9.911 1.00 64.20 C ATOM 715 CG LEU A 55 -3.517 -22.188 8.486 1.00 62.32 C ATOM 716 CD1 LEU A 55 -2.995 -23.226 7.594 1.00 73.14 C ATOM 717 CD2 LEU A 55 -5.006 -22.083 8.304 1.00 20.32 C ATOM 0 H LEU A 55 -2.615 -22.885 12.239 1.00 64.44 H new ATOM 0 HA LEU A 55 -2.434 -20.636 10.490 1.00 13.11 H new ATOM 0 HB2 LEU A 55 -2.188 -23.048 9.903 1.00 64.20 H new ATOM 0 HB3 LEU A 55 -3.886 -23.273 10.275 1.00 64.20 H new ATOM 0 HG LEU A 55 -3.079 -21.218 8.252 1.00 62.32 H new ATOM 0 HD11 LEU A 55 -3.247 -22.980 6.562 1.00 73.14 H new ATOM 0 HD12 LEU A 55 -1.912 -23.285 7.699 1.00 73.14 H new ATOM 0 HD13 LEU A 55 -3.438 -24.187 7.856 1.00 73.14 H new ATOM 0 HD21 LEU A 55 -5.229 -21.822 7.269 1.00 20.32 H new ATOM 0 HD22 LEU A 55 -5.470 -23.039 8.545 1.00 20.32 H new ATOM 0 HD23 LEU A 55 -5.400 -21.311 8.965 1.00 20.32 H new ATOM 729 N MET A 56 -5.281 -21.332 11.940 1.00 20.33 N ATOM 730 CA MET A 56 -6.554 -20.691 12.217 1.00 24.52 C ATOM 731 C MET A 56 -6.302 -19.348 12.863 1.00 22.45 C ATOM 732 O MET A 56 -7.056 -18.411 12.664 1.00 4.45 O ATOM 733 CB MET A 56 -7.460 -21.500 13.109 1.00 54.02 C ATOM 734 CG MET A 56 -8.788 -20.772 13.391 1.00 70.40 C ATOM 735 SD MET A 56 -9.462 -21.164 14.984 1.00 24.44 S ATOM 736 CE MET A 56 -8.050 -20.674 15.961 1.00 52.24 C ATOM 0 H MET A 56 -5.112 -22.209 12.433 1.00 20.33 H new ATOM 0 HA MET A 56 -7.065 -20.587 11.260 1.00 24.52 H new ATOM 0 HB2 MET A 56 -7.666 -22.462 12.640 1.00 54.02 H new ATOM 0 HB3 MET A 56 -6.952 -21.706 14.051 1.00 54.02 H new ATOM 0 HG2 MET A 56 -8.628 -19.696 13.324 1.00 70.40 H new ATOM 0 HG3 MET A 56 -9.512 -21.036 12.620 1.00 70.40 H new ATOM 0 HE1 MET A 56 -8.389 -20.279 16.919 1.00 52.24 H new ATOM 0 HE2 MET A 56 -7.408 -21.538 16.132 1.00 52.24 H new ATOM 0 HE3 MET A 56 -7.489 -19.905 15.430 1.00 52.24 H new ATOM 746 N ARG A 57 -5.218 -19.254 13.629 1.00 23.15 N ATOM 747 CA ARG A 57 -4.819 -17.995 14.182 1.00 31.22 C ATOM 748 C ARG A 57 -4.518 -16.981 13.071 1.00 71.43 C ATOM 749 O ARG A 57 -4.708 -15.779 13.250 1.00 21.32 O ATOM 750 CB ARG A 57 -3.620 -18.118 15.065 1.00 12.32 C ATOM 751 CG ARG A 57 -3.926 -18.660 16.430 1.00 62.25 C ATOM 752 CD ARG A 57 -2.753 -18.446 17.336 1.00 53.32 C ATOM 753 NE ARG A 57 -1.629 -19.392 17.110 1.00 35.12 N ATOM 754 CZ ARG A 57 -0.385 -19.073 16.652 1.00 63.21 C ATOM 755 NH1 ARG A 57 -0.152 -17.919 16.029 1.00 63.43 N ATOM 756 NH2 ARG A 57 0.607 -19.950 16.774 1.00 42.05 N ATOM 0 H ARG A 57 -4.613 -20.039 13.871 1.00 23.15 H new ATOM 0 HA ARG A 57 -5.656 -17.645 14.786 1.00 31.22 H new ATOM 0 HB2 ARG A 57 -2.890 -18.767 14.582 1.00 12.32 H new ATOM 0 HB3 ARG A 57 -3.155 -17.138 15.169 1.00 12.32 H new ATOM 0 HG2 ARG A 57 -4.807 -18.166 16.838 1.00 62.25 H new ATOM 0 HG3 ARG A 57 -4.158 -19.723 16.365 1.00 62.25 H new ATOM 0 HD2 ARG A 57 -2.388 -17.427 17.205 1.00 53.32 H new ATOM 0 HD3 ARG A 57 -3.086 -18.535 18.370 1.00 53.32 H new ATOM 0 HE ARG A 57 -1.805 -20.375 17.318 1.00 35.12 H new ATOM 0 HH11 ARG A 57 -0.912 -17.254 15.887 1.00 63.43 H new ATOM 0 HH12 ARG A 57 0.786 -17.700 15.694 1.00 63.43 H new ATOM 0 HH21 ARG A 57 0.436 -20.857 17.209 1.00 42.05 H new ATOM 0 HH22 ARG A 57 1.539 -19.716 16.433 1.00 42.05 H new ATOM 770 N TRP A 58 -4.059 -17.481 11.916 1.00 63.32 N ATOM 771 CA TRP A 58 -3.806 -16.632 10.774 1.00 11.55 C ATOM 772 C TRP A 58 -5.090 -16.263 10.093 1.00 43.01 C ATOM 773 O TRP A 58 -5.262 -15.142 9.656 1.00 52.32 O ATOM 774 CB TRP A 58 -2.821 -17.264 9.796 1.00 44.34 C ATOM 775 CG TRP A 58 -1.447 -17.303 10.339 1.00 33.24 C ATOM 776 CD1 TRP A 58 -0.658 -18.395 10.521 1.00 25.12 C ATOM 777 CD2 TRP A 58 -0.705 -16.169 10.801 1.00 74.51 C ATOM 778 NE1 TRP A 58 0.551 -18.000 11.078 1.00 21.13 N ATOM 779 CE2 TRP A 58 0.539 -16.625 11.246 1.00 54.15 C ATOM 780 CE3 TRP A 58 -0.988 -14.799 10.867 1.00 34.11 C ATOM 781 CZ2 TRP A 58 1.512 -15.740 11.757 1.00 21.31 C ATOM 782 CZ3 TRP A 58 -0.044 -13.946 11.366 1.00 25.34 C ATOM 783 CH2 TRP A 58 1.184 -14.412 11.800 1.00 54.12 C ATOM 0 H TRP A 58 -3.860 -18.469 11.761 1.00 63.32 H new ATOM 0 HA TRP A 58 -3.340 -15.718 11.143 1.00 11.55 H new ATOM 0 HB2 TRP A 58 -3.146 -18.277 9.559 1.00 44.34 H new ATOM 0 HB3 TRP A 58 -2.826 -16.701 8.863 1.00 44.34 H new ATOM 0 HD1 TRP A 58 -0.929 -19.410 10.272 1.00 25.12 H new ATOM 0 HE1 TRP A 58 1.322 -18.621 11.323 1.00 21.13 H new ATOM 0 HE3 TRP A 58 -1.941 -14.421 10.528 1.00 34.11 H new ATOM 0 HZ2 TRP A 58 2.473 -16.095 12.099 1.00 21.31 H new ATOM 0 HZ3 TRP A 58 -0.261 -12.889 11.422 1.00 25.34 H new ATOM 0 HH2 TRP A 58 1.906 -13.707 12.184 1.00 54.12 H new ATOM 794 N LEU A 59 -6.009 -17.201 10.044 1.00 23.31 N ATOM 795 CA LEU A 59 -7.329 -16.954 9.491 1.00 2.02 C ATOM 796 C LEU A 59 -8.025 -15.913 10.373 1.00 25.44 C ATOM 797 O LEU A 59 -8.733 -15.039 9.889 1.00 32.13 O ATOM 798 CB LEU A 59 -8.105 -18.288 9.398 1.00 0.22 C ATOM 799 CG LEU A 59 -9.427 -18.334 8.586 1.00 54.31 C ATOM 800 CD1 LEU A 59 -10.567 -17.643 9.294 1.00 12.31 C ATOM 801 CD2 LEU A 59 -9.231 -17.751 7.191 1.00 71.43 C ATOM 0 H LEU A 59 -5.868 -18.152 10.383 1.00 23.31 H new ATOM 0 HA LEU A 59 -7.275 -16.555 8.478 1.00 2.02 H new ATOM 0 HB2 LEU A 59 -7.431 -19.032 8.972 1.00 0.22 H new ATOM 0 HB3 LEU A 59 -8.332 -18.608 10.415 1.00 0.22 H new ATOM 0 HG LEU A 59 -9.699 -19.385 8.493 1.00 54.31 H new ATOM 0 HD11 LEU A 59 -11.467 -17.705 8.682 1.00 12.31 H new ATOM 0 HD12 LEU A 59 -10.747 -18.128 10.254 1.00 12.31 H new ATOM 0 HD13 LEU A 59 -10.312 -16.596 9.459 1.00 12.31 H new ATOM 0 HD21 LEU A 59 -10.172 -17.795 6.643 1.00 71.43 H new ATOM 0 HD22 LEU A 59 -8.907 -16.714 7.272 1.00 71.43 H new ATOM 0 HD23 LEU A 59 -8.474 -18.327 6.659 1.00 71.43 H new ATOM 813 N HIS A 60 -7.774 -16.014 11.661 1.00 44.22 N ATOM 814 CA HIS A 60 -8.212 -15.047 12.653 1.00 2.41 C ATOM 815 C HIS A 60 -7.615 -13.675 12.324 1.00 41.31 C ATOM 816 O HIS A 60 -8.313 -12.659 12.311 1.00 33.55 O ATOM 817 CB HIS A 60 -7.743 -15.517 14.049 1.00 50.31 C ATOM 818 CG HIS A 60 -7.961 -14.533 15.148 1.00 22.04 C ATOM 819 ND1 HIS A 60 -6.953 -13.944 15.878 1.00 53.43 N ATOM 820 CD2 HIS A 60 -9.097 -14.047 15.626 1.00 50.44 C ATOM 821 CE1 HIS A 60 -7.522 -13.126 16.769 1.00 31.22 C ATOM 822 NE2 HIS A 60 -8.830 -13.151 16.655 1.00 52.00 N ATOM 0 H HIS A 60 -7.246 -16.790 12.060 1.00 44.22 H new ATOM 0 HA HIS A 60 -9.299 -14.966 12.647 1.00 2.41 H new ATOM 0 HB2 HIS A 60 -8.264 -16.441 14.299 1.00 50.31 H new ATOM 0 HB3 HIS A 60 -6.680 -15.754 13.999 1.00 50.31 H new ATOM 0 HD2 HIS A 60 -10.083 -14.308 15.270 1.00 50.44 H new ATOM 0 HE1 HIS A 60 -6.980 -12.526 17.485 1.00 31.22 H new ATOM 0 HE2 HIS A 60 -9.508 -12.624 17.206 1.00 52.00 H new ATOM 830 N TRP A 61 -6.329 -13.674 12.042 1.00 22.33 N ATOM 831 CA TRP A 61 -5.604 -12.483 11.680 1.00 51.05 C ATOM 832 C TRP A 61 -6.209 -11.868 10.405 1.00 72.44 C ATOM 833 O TRP A 61 -6.359 -10.645 10.327 1.00 32.34 O ATOM 834 CB TRP A 61 -4.116 -12.828 11.519 1.00 14.11 C ATOM 835 CG TRP A 61 -3.203 -11.680 11.203 1.00 23.32 C ATOM 836 CD1 TRP A 61 -2.720 -10.742 12.071 1.00 51.41 C ATOM 837 CD2 TRP A 61 -2.621 -11.392 9.934 1.00 65.24 C ATOM 838 NE1 TRP A 61 -1.897 -9.866 11.402 1.00 11.23 N ATOM 839 CE2 TRP A 61 -1.813 -10.254 10.091 1.00 73.24 C ATOM 840 CE3 TRP A 61 -2.709 -11.986 8.676 1.00 61.25 C ATOM 841 CZ2 TRP A 61 -1.098 -9.700 9.036 1.00 35.55 C ATOM 842 CZ3 TRP A 61 -1.999 -11.436 7.637 1.00 41.03 C ATOM 843 CH2 TRP A 61 -1.203 -10.305 7.824 1.00 23.10 C ATOM 0 H TRP A 61 -5.753 -14.516 12.059 1.00 22.33 H new ATOM 0 HA TRP A 61 -5.688 -11.732 12.465 1.00 51.05 H new ATOM 0 HB2 TRP A 61 -3.771 -13.297 12.440 1.00 14.11 H new ATOM 0 HB3 TRP A 61 -4.020 -13.571 10.727 1.00 14.11 H new ATOM 0 HD1 TRP A 61 -2.950 -10.695 13.125 1.00 51.41 H new ATOM 0 HE1 TRP A 61 -1.427 -9.060 11.814 1.00 11.23 H new ATOM 0 HE3 TRP A 61 -3.323 -12.861 8.522 1.00 61.25 H new ATOM 0 HZ2 TRP A 61 -0.483 -8.823 9.174 1.00 35.55 H new ATOM 0 HZ3 TRP A 61 -2.058 -11.887 6.657 1.00 41.03 H new ATOM 0 HH2 TRP A 61 -0.657 -9.901 6.985 1.00 23.10 H new ATOM 854 N PHE A 62 -6.587 -12.724 9.453 1.00 64.31 N ATOM 855 CA PHE A 62 -7.263 -12.302 8.224 1.00 44.03 C ATOM 856 C PHE A 62 -8.673 -11.760 8.512 1.00 64.32 C ATOM 857 O PHE A 62 -9.077 -10.750 7.937 1.00 34.03 O ATOM 858 CB PHE A 62 -7.328 -13.439 7.181 1.00 43.21 C ATOM 859 CG PHE A 62 -6.006 -13.823 6.571 1.00 45.04 C ATOM 860 CD1 PHE A 62 -5.233 -12.882 5.921 1.00 32.32 C ATOM 861 CD2 PHE A 62 -5.555 -15.131 6.616 1.00 23.23 C ATOM 862 CE1 PHE A 62 -4.040 -13.241 5.337 1.00 74.31 C ATOM 863 CE2 PHE A 62 -4.362 -15.489 6.037 1.00 63.53 C ATOM 864 CZ PHE A 62 -3.605 -14.547 5.399 1.00 21.52 C ATOM 0 H PHE A 62 -6.433 -13.731 9.513 1.00 64.31 H new ATOM 0 HA PHE A 62 -6.665 -11.494 7.802 1.00 44.03 H new ATOM 0 HB2 PHE A 62 -7.762 -14.320 7.654 1.00 43.21 H new ATOM 0 HB3 PHE A 62 -8.006 -13.139 6.382 1.00 43.21 H new ATOM 0 HD1 PHE A 62 -5.567 -11.856 5.870 1.00 32.32 H new ATOM 0 HD2 PHE A 62 -6.150 -15.882 7.114 1.00 23.23 H new ATOM 0 HE1 PHE A 62 -3.443 -12.498 4.829 1.00 74.31 H new ATOM 0 HE2 PHE A 62 -4.023 -16.513 6.086 1.00 63.53 H new ATOM 0 HZ PHE A 62 -2.666 -14.826 4.944 1.00 21.52 H new ATOM 874 N ARG A 63 -9.422 -12.433 9.402 1.00 0.43 N ATOM 875 CA ARG A 63 -10.774 -11.973 9.830 1.00 24.51 C ATOM 876 C ARG A 63 -10.694 -10.564 10.331 1.00 41.34 C ATOM 877 O ARG A 63 -11.473 -9.702 9.959 1.00 20.23 O ATOM 878 CB ARG A 63 -11.322 -12.827 10.989 1.00 42.23 C ATOM 879 CG ARG A 63 -11.727 -14.229 10.637 1.00 33.03 C ATOM 880 CD ARG A 63 -12.867 -14.223 9.656 1.00 13.43 C ATOM 881 NE ARG A 63 -13.339 -15.571 9.369 1.00 11.01 N ATOM 882 CZ ARG A 63 -13.597 -16.038 8.151 1.00 1.13 C ATOM 883 NH1 ARG A 63 -13.402 -15.268 7.079 1.00 4.30 N ATOM 884 NH2 ARG A 63 -14.039 -17.284 7.997 1.00 14.41 N ATOM 0 H ARG A 63 -9.122 -13.301 9.846 1.00 0.43 H new ATOM 0 HA ARG A 63 -11.429 -12.057 8.963 1.00 24.51 H new ATOM 0 HB2 ARG A 63 -10.563 -12.874 11.770 1.00 42.23 H new ATOM 0 HB3 ARG A 63 -12.186 -12.316 11.414 1.00 42.23 H new ATOM 0 HG2 ARG A 63 -10.877 -14.762 10.211 1.00 33.03 H new ATOM 0 HG3 ARG A 63 -12.020 -14.766 11.539 1.00 33.03 H new ATOM 0 HD2 ARG A 63 -13.688 -13.628 10.056 1.00 13.43 H new ATOM 0 HD3 ARG A 63 -12.548 -13.745 8.730 1.00 13.43 H new ATOM 0 HE ARG A 63 -13.482 -16.201 10.158 1.00 11.01 H new ATOM 0 HH11 ARG A 63 -13.053 -14.316 7.191 1.00 4.30 H new ATOM 0 HH12 ARG A 63 -13.602 -15.631 6.147 1.00 4.30 H new ATOM 0 HH21 ARG A 63 -14.180 -17.880 8.813 1.00 14.41 H new ATOM 0 HH22 ARG A 63 -14.237 -17.643 7.063 1.00 14.41 H new ATOM 898 N LYS A 64 -9.699 -10.363 11.132 1.00 51.13 N ATOM 899 CA LYS A 64 -9.407 -9.129 11.804 1.00 43.03 C ATOM 900 C LYS A 64 -9.026 -8.008 10.806 1.00 64.00 C ATOM 901 O LYS A 64 -8.976 -6.848 11.175 1.00 61.12 O ATOM 902 CB LYS A 64 -8.251 -9.431 12.720 1.00 12.23 C ATOM 903 CG LYS A 64 -7.868 -8.376 13.722 1.00 44.41 C ATOM 904 CD LYS A 64 -6.562 -8.778 14.380 1.00 60.30 C ATOM 905 CE LYS A 64 -5.319 -8.325 13.561 1.00 3.44 C ATOM 906 NZ LYS A 64 -5.349 -8.699 12.105 1.00 73.14 N ATOM 0 H LYS A 64 -9.025 -11.097 11.351 1.00 51.13 H new ATOM 0 HA LYS A 64 -10.280 -8.767 12.347 1.00 43.03 H new ATOM 0 HB2 LYS A 64 -8.484 -10.345 13.266 1.00 12.23 H new ATOM 0 HB3 LYS A 64 -7.378 -9.642 12.102 1.00 12.23 H new ATOM 0 HG2 LYS A 64 -7.761 -7.409 13.230 1.00 44.41 H new ATOM 0 HG3 LYS A 64 -8.651 -8.266 14.473 1.00 44.41 H new ATOM 0 HD2 LYS A 64 -6.513 -8.344 15.379 1.00 60.30 H new ATOM 0 HD3 LYS A 64 -6.538 -9.861 14.502 1.00 60.30 H new ATOM 0 HE2 LYS A 64 -5.224 -7.242 13.641 1.00 3.44 H new ATOM 0 HE3 LYS A 64 -4.427 -8.757 14.014 1.00 3.44 H new ATOM 0 HZ1 LYS A 64 -4.376 -8.805 11.754 1.00 73.14 H new ATOM 0 HZ2 LYS A 64 -5.860 -9.597 11.988 1.00 73.14 H new ATOM 0 HZ3 LYS A 64 -5.832 -7.953 11.565 1.00 73.14 H new ATOM 920 N ASN A 65 -8.720 -8.370 9.564 1.00 51.10 N ATOM 921 CA ASN A 65 -8.392 -7.359 8.555 1.00 70.30 C ATOM 922 C ASN A 65 -9.539 -7.255 7.541 1.00 32.23 C ATOM 923 O ASN A 65 -9.452 -6.534 6.552 1.00 40.34 O ATOM 924 CB ASN A 65 -7.058 -7.642 7.804 1.00 10.25 C ATOM 925 CG ASN A 65 -5.820 -7.818 8.681 1.00 2.52 C ATOM 926 OD1 ASN A 65 -5.756 -7.348 9.831 1.00 13.31 O ATOM 927 ND2 ASN A 65 -4.797 -8.440 8.130 1.00 20.02 N ATOM 0 H ASN A 65 -8.691 -9.334 9.233 1.00 51.10 H new ATOM 0 HA ASN A 65 -8.258 -6.417 9.088 1.00 70.30 H new ATOM 0 HB2 ASN A 65 -7.186 -8.544 7.205 1.00 10.25 H new ATOM 0 HB3 ASN A 65 -6.874 -6.822 7.110 1.00 10.25 H new ATOM 0 HD21 ASN A 65 -3.925 -8.546 8.648 1.00 20.02 H new ATOM 0 HD22 ASN A 65 -4.877 -8.816 7.185 1.00 20.02 H new ATOM 934 N GLY A 66 -10.618 -7.993 7.797 1.00 23.44 N ATOM 935 CA GLY A 66 -11.786 -7.945 6.933 1.00 12.54 C ATOM 936 C GLY A 66 -11.735 -8.931 5.768 1.00 50.12 C ATOM 937 O GLY A 66 -12.401 -8.727 4.729 1.00 42.01 O ATOM 0 H GLY A 66 -10.703 -8.626 8.592 1.00 23.44 H new ATOM 0 HA2 GLY A 66 -12.675 -8.148 7.529 1.00 12.54 H new ATOM 0 HA3 GLY A 66 -11.892 -6.935 6.537 1.00 12.54 H new ATOM 941 N TYR A 67 -10.973 -9.992 5.909 1.00 55.42 N ATOM 942 CA TYR A 67 -10.872 -10.982 4.854 1.00 4.11 C ATOM 943 C TYR A 67 -11.940 -12.042 4.944 1.00 43.21 C ATOM 944 O TYR A 67 -12.085 -12.756 5.952 1.00 1.32 O ATOM 945 CB TYR A 67 -9.487 -11.598 4.764 1.00 74.42 C ATOM 946 CG TYR A 67 -8.468 -10.651 4.218 1.00 53.41 C ATOM 947 CD1 TYR A 67 -7.897 -9.706 5.029 1.00 42.45 C ATOM 948 CD2 TYR A 67 -8.108 -10.676 2.877 1.00 3.44 C ATOM 949 CE1 TYR A 67 -6.993 -8.804 4.545 1.00 43.51 C ATOM 950 CE2 TYR A 67 -7.208 -9.767 2.373 1.00 74.34 C ATOM 951 CZ TYR A 67 -6.655 -8.830 3.230 1.00 20.10 C ATOM 952 OH TYR A 67 -5.799 -7.905 2.757 1.00 71.53 O ATOM 0 H TYR A 67 -10.415 -10.194 6.739 1.00 55.42 H new ATOM 0 HA TYR A 67 -11.043 -10.438 3.925 1.00 4.11 H new ATOM 0 HB2 TYR A 67 -9.176 -11.928 5.755 1.00 74.42 H new ATOM 0 HB3 TYR A 67 -9.529 -12.485 4.131 1.00 74.42 H new ATOM 0 HD1 TYR A 67 -8.168 -9.674 6.074 1.00 42.45 H new ATOM 0 HD2 TYR A 67 -8.540 -11.418 2.222 1.00 3.44 H new ATOM 0 HE1 TYR A 67 -6.549 -8.073 5.205 1.00 43.51 H new ATOM 0 HE2 TYR A 67 -6.937 -9.783 1.328 1.00 74.34 H new ATOM 0 HH TYR A 67 -5.267 -7.543 3.496 1.00 71.53 H new ATOM 962 N ARG A 68 -12.669 -12.162 3.870 1.00 73.14 N ATOM 963 CA ARG A 68 -13.760 -13.093 3.772 1.00 51.33 C ATOM 964 C ARG A 68 -13.277 -14.421 3.148 1.00 22.02 C ATOM 965 O ARG A 68 -13.730 -14.845 2.083 1.00 21.13 O ATOM 966 CB ARG A 68 -14.931 -12.439 3.001 1.00 65.43 C ATOM 967 CG ARG A 68 -14.605 -12.029 1.572 1.00 23.23 C ATOM 968 CD ARG A 68 -14.998 -10.588 1.270 1.00 32.50 C ATOM 969 NE ARG A 68 -14.136 -9.607 1.979 1.00 51.43 N ATOM 970 CZ ARG A 68 -13.420 -8.625 1.371 1.00 5.23 C ATOM 971 NH1 ARG A 68 -13.455 -8.494 0.039 1.00 35.12 N ATOM 972 NH2 ARG A 68 -12.674 -7.795 2.102 1.00 62.23 N ATOM 0 H ARG A 68 -12.521 -11.609 3.026 1.00 73.14 H new ATOM 0 HA ARG A 68 -14.134 -13.344 4.765 1.00 51.33 H new ATOM 0 HB2 ARG A 68 -15.769 -13.136 2.982 1.00 65.43 H new ATOM 0 HB3 ARG A 68 -15.262 -11.558 3.550 1.00 65.43 H new ATOM 0 HG2 ARG A 68 -13.536 -12.154 1.397 1.00 23.23 H new ATOM 0 HG3 ARG A 68 -15.121 -12.695 0.880 1.00 23.23 H new ATOM 0 HD2 ARG A 68 -14.935 -10.414 0.196 1.00 32.50 H new ATOM 0 HD3 ARG A 68 -16.037 -10.429 1.558 1.00 32.50 H new ATOM 0 HE ARG A 68 -14.078 -9.676 2.995 1.00 51.43 H new ATOM 0 HH11 ARG A 68 -14.020 -9.132 -0.522 1.00 35.12 H new ATOM 0 HH12 ARG A 68 -12.917 -7.756 -0.415 1.00 35.12 H new ATOM 0 HH21 ARG A 68 -12.641 -7.898 3.116 1.00 62.23 H new ATOM 0 HH22 ARG A 68 -12.136 -7.058 1.647 1.00 62.23 H new ATOM 986 N LEU A 69 -12.306 -15.018 3.811 1.00 55.42 N ATOM 987 CA LEU A 69 -11.719 -16.291 3.397 1.00 72.34 C ATOM 988 C LEU A 69 -12.393 -17.410 4.165 1.00 71.12 C ATOM 989 O LEU A 69 -13.078 -17.153 5.169 1.00 1.21 O ATOM 990 CB LEU A 69 -10.219 -16.319 3.755 1.00 61.43 C ATOM 991 CG LEU A 69 -9.336 -15.208 3.185 1.00 23.40 C ATOM 992 CD1 LEU A 69 -7.932 -15.312 3.742 1.00 2.31 C ATOM 993 CD2 LEU A 69 -9.286 -15.277 1.684 1.00 52.21 C ATOM 0 H LEU A 69 -11.894 -14.634 4.662 1.00 55.42 H new ATOM 0 HA LEU A 69 -11.852 -16.411 2.322 1.00 72.34 H new ATOM 0 HB2 LEU A 69 -10.132 -16.294 4.841 1.00 61.43 H new ATOM 0 HB3 LEU A 69 -9.812 -17.275 3.425 1.00 61.43 H new ATOM 0 HG LEU A 69 -9.771 -14.253 3.478 1.00 23.40 H new ATOM 0 HD11 LEU A 69 -7.316 -14.514 3.327 1.00 2.31 H new ATOM 0 HD12 LEU A 69 -7.963 -15.219 4.828 1.00 2.31 H new ATOM 0 HD13 LEU A 69 -7.505 -16.278 3.473 1.00 2.31 H new ATOM 0 HD21 LEU A 69 -8.652 -14.476 1.304 1.00 52.21 H new ATOM 0 HD22 LEU A 69 -8.878 -16.240 1.377 1.00 52.21 H new ATOM 0 HD23 LEU A 69 -10.292 -15.165 1.281 1.00 52.21 H new ATOM 1005 N THR A 70 -12.240 -18.608 3.718 1.00 71.44 N ATOM 1006 CA THR A 70 -12.700 -19.732 4.457 1.00 32.50 C ATOM 1007 C THR A 70 -11.471 -20.405 5.056 1.00 52.41 C ATOM 1008 O THR A 70 -10.427 -20.485 4.412 1.00 31.21 O ATOM 1009 CB THR A 70 -13.411 -20.738 3.548 1.00 15.13 C ATOM 1010 OG1 THR A 70 -14.208 -20.032 2.604 1.00 24.24 O ATOM 1011 CG2 THR A 70 -14.316 -21.658 4.361 1.00 22.20 C ATOM 0 H THR A 70 -11.793 -18.836 2.830 1.00 71.44 H new ATOM 0 HA THR A 70 -13.406 -19.405 5.221 1.00 32.50 H new ATOM 0 HB THR A 70 -12.657 -21.340 3.041 1.00 15.13 H new ATOM 0 HG1 THR A 70 -13.633 -19.663 1.901 1.00 24.24 H new ATOM 0 HG21 THR A 70 -14.811 -22.364 3.694 1.00 22.20 H new ATOM 0 HG22 THR A 70 -13.718 -22.205 5.090 1.00 22.20 H new ATOM 0 HG23 THR A 70 -15.067 -21.063 4.881 1.00 22.20 H new ATOM 1019 N LEU A 71 -11.600 -20.902 6.260 1.00 55.51 N ATOM 1020 CA LEU A 71 -10.484 -21.551 6.954 1.00 62.14 C ATOM 1021 C LEU A 71 -10.089 -22.845 6.226 1.00 61.34 C ATOM 1022 O LEU A 71 -8.936 -23.253 6.234 1.00 62.21 O ATOM 1023 CB LEU A 71 -10.881 -21.838 8.412 1.00 14.13 C ATOM 1024 CG LEU A 71 -9.839 -22.540 9.297 1.00 50.32 C ATOM 1025 CD1 LEU A 71 -8.597 -21.701 9.533 1.00 51.54 C ATOM 1026 CD2 LEU A 71 -10.436 -22.928 10.609 1.00 0.00 C ATOM 0 H LEU A 71 -12.468 -20.876 6.795 1.00 55.51 H new ATOM 0 HA LEU A 71 -9.620 -20.887 6.953 1.00 62.14 H new ATOM 0 HB2 LEU A 71 -11.142 -20.891 8.884 1.00 14.13 H new ATOM 0 HB3 LEU A 71 -11.783 -22.449 8.403 1.00 14.13 H new ATOM 0 HG LEU A 71 -9.530 -23.432 8.752 1.00 50.32 H new ATOM 0 HD11 LEU A 71 -7.900 -22.252 10.165 1.00 51.54 H new ATOM 0 HD12 LEU A 71 -8.122 -21.478 8.578 1.00 51.54 H new ATOM 0 HD13 LEU A 71 -8.875 -20.770 10.026 1.00 51.54 H new ATOM 0 HD21 LEU A 71 -9.681 -23.423 11.220 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.792 -22.036 11.125 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.271 -23.608 10.442 1.00 0.00 H new ATOM 1038 N ARG A 72 -11.063 -23.438 5.550 1.00 51.13 N ATOM 1039 CA ARG A 72 -10.857 -24.672 4.818 1.00 15.34 C ATOM 1040 C ARG A 72 -9.933 -24.455 3.614 1.00 62.11 C ATOM 1041 O ARG A 72 -9.206 -25.354 3.236 1.00 0.23 O ATOM 1042 CB ARG A 72 -12.193 -25.247 4.352 1.00 2.42 C ATOM 1043 CG ARG A 72 -12.079 -26.597 3.650 1.00 65.24 C ATOM 1044 CD ARG A 72 -13.429 -27.095 3.170 1.00 24.23 C ATOM 1045 NE ARG A 72 -13.320 -28.392 2.477 1.00 51.44 N ATOM 1046 CZ ARG A 72 -14.325 -29.016 1.828 1.00 24.21 C ATOM 1047 NH1 ARG A 72 -15.543 -28.457 1.771 1.00 23.51 N ATOM 1048 NH2 ARG A 72 -14.106 -30.199 1.237 1.00 4.31 N ATOM 0 H ARG A 72 -12.015 -23.075 5.496 1.00 51.13 H new ATOM 0 HA ARG A 72 -10.380 -25.383 5.493 1.00 15.34 H new ATOM 0 HB2 ARG A 72 -12.852 -25.352 5.214 1.00 2.42 H new ATOM 0 HB3 ARG A 72 -12.666 -24.536 3.675 1.00 2.42 H new ATOM 0 HG2 ARG A 72 -11.400 -26.510 2.801 1.00 65.24 H new ATOM 0 HG3 ARG A 72 -11.644 -27.327 4.333 1.00 65.24 H new ATOM 0 HD2 ARG A 72 -14.104 -27.193 4.021 1.00 24.23 H new ATOM 0 HD3 ARG A 72 -13.869 -26.359 2.497 1.00 24.23 H new ATOM 0 HE ARG A 72 -12.411 -28.855 2.489 1.00 51.44 H new ATOM 0 HH11 ARG A 72 -15.712 -27.557 2.219 1.00 23.51 H new ATOM 0 HH12 ARG A 72 -16.300 -28.932 1.279 1.00 23.51 H new ATOM 0 HH21 ARG A 72 -13.181 -30.626 1.278 1.00 4.31 H new ATOM 0 HH22 ARG A 72 -14.865 -30.672 0.746 1.00 4.31 H new ATOM 1062 N GLU A 73 -9.963 -23.250 3.039 1.00 11.22 N ATOM 1063 CA GLU A 73 -9.140 -22.926 1.871 1.00 2.45 C ATOM 1064 C GLU A 73 -7.668 -23.030 2.220 1.00 1.04 C ATOM 1065 O GLU A 73 -6.910 -23.726 1.552 1.00 61.43 O ATOM 1066 CB GLU A 73 -9.466 -21.525 1.347 1.00 20.22 C ATOM 1067 CG GLU A 73 -10.844 -21.401 0.720 1.00 40.53 C ATOM 1068 CD GLU A 73 -11.215 -19.969 0.405 1.00 74.21 C ATOM 1069 OE1 GLU A 73 -10.677 -19.384 -0.540 1.00 52.42 O ATOM 1070 OE2 GLU A 73 -12.050 -19.396 1.138 1.00 72.34 O ATOM 0 H GLU A 73 -10.549 -22.481 3.364 1.00 11.22 H new ATOM 0 HA GLU A 73 -9.365 -23.645 1.083 1.00 2.45 H new ATOM 0 HB2 GLU A 73 -9.388 -20.814 2.170 1.00 20.22 H new ATOM 0 HB3 GLU A 73 -8.716 -21.242 0.609 1.00 20.22 H new ATOM 0 HG2 GLU A 73 -10.876 -21.990 -0.196 1.00 40.53 H new ATOM 0 HG3 GLU A 73 -11.586 -21.824 1.397 1.00 40.53 H new ATOM 1077 N LEU A 74 -7.290 -22.365 3.295 1.00 1.24 N ATOM 1078 CA LEU A 74 -5.933 -22.374 3.776 1.00 23.34 C ATOM 1079 C LEU A 74 -5.482 -23.770 4.211 1.00 44.20 C ATOM 1080 O LEU A 74 -4.316 -24.108 4.071 1.00 54.40 O ATOM 1081 CB LEU A 74 -5.743 -21.395 4.935 1.00 61.10 C ATOM 1082 CG LEU A 74 -5.758 -19.897 4.611 1.00 64.04 C ATOM 1083 CD1 LEU A 74 -7.085 -19.431 4.132 1.00 15.23 C ATOM 1084 CD2 LEU A 74 -5.286 -19.069 5.784 1.00 72.44 C ATOM 0 H LEU A 74 -7.925 -21.801 3.859 1.00 1.24 H new ATOM 0 HA LEU A 74 -5.313 -22.059 2.937 1.00 23.34 H new ATOM 0 HB2 LEU A 74 -6.526 -21.587 5.669 1.00 61.10 H new ATOM 0 HB3 LEU A 74 -4.792 -21.625 5.416 1.00 61.10 H new ATOM 0 HG LEU A 74 -5.054 -19.754 3.791 1.00 64.04 H new ATOM 0 HD11 LEU A 74 -7.040 -18.363 3.917 1.00 15.23 H new ATOM 0 HD12 LEU A 74 -7.355 -19.973 3.225 1.00 15.23 H new ATOM 0 HD13 LEU A 74 -7.835 -19.615 4.902 1.00 15.23 H new ATOM 0 HD21 LEU A 74 -5.310 -18.013 5.517 1.00 72.44 H new ATOM 0 HD22 LEU A 74 -5.940 -19.242 6.638 1.00 72.44 H new ATOM 0 HD23 LEU A 74 -4.267 -19.354 6.044 1.00 72.44 H new ATOM 1096 N TYR A 75 -6.402 -24.566 4.760 1.00 52.50 N ATOM 1097 CA TYR A 75 -6.062 -25.936 5.162 1.00 34.30 C ATOM 1098 C TYR A 75 -5.905 -26.847 3.971 1.00 1.44 C ATOM 1099 O TYR A 75 -5.154 -27.814 4.020 1.00 32.41 O ATOM 1100 CB TYR A 75 -7.055 -26.551 6.182 1.00 41.02 C ATOM 1101 CG TYR A 75 -6.934 -26.025 7.546 1.00 72.42 C ATOM 1102 CD1 TYR A 75 -5.703 -25.869 8.136 1.00 15.05 C ATOM 1103 CD2 TYR A 75 -8.052 -25.691 8.247 1.00 42.20 C ATOM 1104 CE1 TYR A 75 -5.597 -25.378 9.413 1.00 1.54 C ATOM 1105 CE2 TYR A 75 -7.965 -25.204 9.510 1.00 34.41 C ATOM 1106 CZ TYR A 75 -6.742 -25.045 10.096 1.00 12.14 C ATOM 1107 OH TYR A 75 -6.671 -24.536 11.358 1.00 1.14 O ATOM 0 H TYR A 75 -7.370 -24.295 4.935 1.00 52.50 H new ATOM 0 HA TYR A 75 -5.101 -25.852 5.670 1.00 34.30 H new ATOM 0 HB2 TYR A 75 -8.072 -26.378 5.829 1.00 41.02 H new ATOM 0 HB3 TYR A 75 -6.906 -27.630 6.208 1.00 41.02 H new ATOM 0 HD1 TYR A 75 -4.810 -26.135 7.590 1.00 15.05 H new ATOM 0 HD2 TYR A 75 -9.023 -25.816 7.791 1.00 42.20 H new ATOM 0 HE1 TYR A 75 -4.628 -25.255 9.874 1.00 1.54 H new ATOM 0 HE2 TYR A 75 -8.862 -24.942 10.051 1.00 34.41 H new ATOM 0 HH TYR A 75 -5.835 -24.036 11.463 1.00 1.14 H new ATOM 1117 N ALA A 76 -6.604 -26.540 2.908 1.00 53.50 N ATOM 1118 CA ALA A 76 -6.525 -27.356 1.734 1.00 3.14 C ATOM 1119 C ALA A 76 -5.296 -26.988 0.910 1.00 21.23 C ATOM 1120 O ALA A 76 -4.586 -27.856 0.405 1.00 14.31 O ATOM 1121 CB ALA A 76 -7.797 -27.270 0.906 1.00 22.33 C ATOM 0 H ALA A 76 -7.228 -25.737 2.835 1.00 53.50 H new ATOM 0 HA ALA A 76 -6.422 -28.394 2.051 1.00 3.14 H new ATOM 0 HB1 ALA A 76 -7.700 -27.902 0.023 1.00 22.33 H new ATOM 0 HB2 ALA A 76 -8.644 -27.608 1.503 1.00 22.33 H new ATOM 0 HB3 ALA A 76 -7.961 -26.238 0.597 1.00 22.33 H new ATOM 1127 N ALA A 77 -5.048 -25.700 0.776 1.00 54.24 N ATOM 1128 CA ALA A 77 -3.881 -25.233 0.074 1.00 5.51 C ATOM 1129 C ALA A 77 -3.042 -24.364 0.982 1.00 33.34 C ATOM 1130 O ALA A 77 -3.188 -23.134 0.997 1.00 53.44 O ATOM 1131 CB ALA A 77 -4.238 -24.475 -1.201 1.00 21.54 C ATOM 0 H ALA A 77 -5.644 -24.960 1.147 1.00 54.24 H new ATOM 0 HA ALA A 77 -3.307 -26.111 -0.223 1.00 5.51 H new ATOM 0 HB1 ALA A 77 -3.325 -24.143 -1.695 1.00 21.54 H new ATOM 0 HB2 ALA A 77 -4.795 -25.131 -1.870 1.00 21.54 H new ATOM 0 HB3 ALA A 77 -4.850 -23.609 -0.950 1.00 21.54 H new ATOM 1137 N PRO A 78 -2.180 -24.959 1.799 1.00 70.24 N ATOM 1138 CA PRO A 78 -1.347 -24.207 2.669 1.00 2.23 C ATOM 1139 C PRO A 78 -0.055 -23.840 1.980 1.00 60.22 C ATOM 1140 O PRO A 78 0.944 -24.556 2.063 1.00 14.43 O ATOM 1141 CB PRO A 78 -1.089 -25.152 3.845 1.00 44.13 C ATOM 1142 CG PRO A 78 -1.522 -26.522 3.381 1.00 3.24 C ATOM 1143 CD PRO A 78 -1.967 -26.395 1.950 1.00 42.42 C ATOM 0 HA PRO A 78 -1.802 -23.267 2.982 1.00 2.23 H new ATOM 0 HB2 PRO A 78 -0.035 -25.149 4.124 1.00 44.13 H new ATOM 0 HB3 PRO A 78 -1.652 -24.842 4.725 1.00 44.13 H new ATOM 0 HG2 PRO A 78 -0.700 -27.233 3.465 1.00 3.24 H new ATOM 0 HG3 PRO A 78 -2.334 -26.899 4.003 1.00 3.24 H new ATOM 0 HD2 PRO A 78 -1.211 -26.766 1.258 1.00 42.42 H new ATOM 0 HD3 PRO A 78 -2.879 -26.961 1.759 1.00 42.42 H new ATOM 1151 N THR A 79 -0.102 -22.746 1.293 1.00 30.55 N ATOM 1152 CA THR A 79 1.002 -22.199 0.565 1.00 72.14 C ATOM 1153 C THR A 79 0.845 -20.718 0.620 1.00 75.12 C ATOM 1154 O THR A 79 -0.258 -20.213 0.430 1.00 44.40 O ATOM 1155 CB THR A 79 0.994 -22.654 -0.921 1.00 64.30 C ATOM 1156 OG1 THR A 79 -0.341 -22.627 -1.424 1.00 71.25 O ATOM 1157 CG2 THR A 79 1.579 -24.037 -1.111 1.00 13.35 C ATOM 0 H THR A 79 -0.948 -22.182 1.219 1.00 30.55 H new ATOM 0 HA THR A 79 1.941 -22.538 1.002 1.00 72.14 H new ATOM 0 HB THR A 79 1.624 -21.957 -1.474 1.00 64.30 H new ATOM 0 HG1 THR A 79 -0.343 -22.913 -2.361 1.00 71.25 H new ATOM 0 HG21 THR A 79 1.548 -24.303 -2.168 1.00 13.35 H new ATOM 0 HG22 THR A 79 2.613 -24.046 -0.765 1.00 13.35 H new ATOM 0 HG23 THR A 79 0.998 -24.760 -0.538 1.00 13.35 H new ATOM 1165 N LEU A 80 1.900 -20.021 0.876 1.00 22.12 N ATOM 1166 CA LEU A 80 1.821 -18.597 1.014 1.00 34.41 C ATOM 1167 C LEU A 80 1.481 -17.938 -0.330 1.00 32.34 C ATOM 1168 O LEU A 80 0.839 -16.912 -0.356 1.00 63.43 O ATOM 1169 CB LEU A 80 3.111 -18.065 1.606 1.00 40.10 C ATOM 1170 CG LEU A 80 2.957 -17.103 2.778 1.00 24.11 C ATOM 1171 CD1 LEU A 80 4.294 -16.615 3.227 1.00 11.13 C ATOM 1172 CD2 LEU A 80 2.078 -15.942 2.418 1.00 32.02 C ATOM 0 H LEU A 80 2.834 -20.412 0.995 1.00 22.12 H new ATOM 0 HA LEU A 80 1.013 -18.345 1.700 1.00 34.41 H new ATOM 0 HB2 LEU A 80 3.715 -18.912 1.933 1.00 40.10 H new ATOM 0 HB3 LEU A 80 3.669 -17.560 0.817 1.00 40.10 H new ATOM 0 HG LEU A 80 2.482 -17.645 3.596 1.00 24.11 H new ATOM 0 HD11 LEU A 80 4.168 -15.929 4.065 1.00 11.13 H new ATOM 0 HD12 LEU A 80 4.904 -17.462 3.540 1.00 11.13 H new ATOM 0 HD13 LEU A 80 4.787 -16.097 2.405 1.00 11.13 H new ATOM 0 HD21 LEU A 80 1.988 -15.274 3.275 1.00 32.02 H new ATOM 0 HD22 LEU A 80 2.516 -15.400 1.580 1.00 32.02 H new ATOM 0 HD23 LEU A 80 1.090 -16.307 2.137 1.00 32.02 H new ATOM 1184 N ALA A 81 1.867 -18.586 -1.425 1.00 72.41 N ATOM 1185 CA ALA A 81 1.580 -18.099 -2.778 1.00 35.15 C ATOM 1186 C ALA A 81 0.090 -18.066 -3.024 1.00 10.34 C ATOM 1187 O ALA A 81 -0.459 -17.070 -3.509 1.00 34.45 O ATOM 1188 CB ALA A 81 2.252 -18.988 -3.819 1.00 73.22 C ATOM 0 H ALA A 81 2.387 -19.463 -1.404 1.00 72.41 H new ATOM 0 HA ALA A 81 1.976 -17.087 -2.865 1.00 35.15 H new ATOM 0 HB1 ALA A 81 2.028 -18.612 -4.817 1.00 73.22 H new ATOM 0 HB2 ALA A 81 3.331 -18.981 -3.662 1.00 73.22 H new ATOM 0 HB3 ALA A 81 1.878 -20.007 -3.723 1.00 73.22 H new ATOM 1194 N ALA A 82 -0.578 -19.152 -2.653 1.00 62.43 N ATOM 1195 CA ALA A 82 -2.002 -19.239 -2.831 1.00 51.41 C ATOM 1196 C ALA A 82 -2.699 -18.269 -1.922 1.00 51.02 C ATOM 1197 O ALA A 82 -3.666 -17.678 -2.307 1.00 23.14 O ATOM 1198 CB ALA A 82 -2.515 -20.644 -2.602 1.00 45.11 C ATOM 0 H ALA A 82 -0.149 -19.975 -2.230 1.00 62.43 H new ATOM 0 HA ALA A 82 -2.222 -18.978 -3.866 1.00 51.41 H new ATOM 0 HB1 ALA A 82 -3.595 -20.665 -2.747 1.00 45.11 H new ATOM 0 HB2 ALA A 82 -2.041 -21.324 -3.309 1.00 45.11 H new ATOM 0 HB3 ALA A 82 -2.279 -20.956 -1.585 1.00 45.11 H new ATOM 1204 N TRP A 83 -2.168 -18.083 -0.722 1.00 71.43 N ATOM 1205 CA TRP A 83 -2.759 -17.151 0.238 1.00 35.15 C ATOM 1206 C TRP A 83 -2.605 -15.733 -0.251 1.00 54.43 C ATOM 1207 O TRP A 83 -3.553 -14.968 -0.233 1.00 5.24 O ATOM 1208 CB TRP A 83 -2.154 -17.310 1.617 1.00 34.31 C ATOM 1209 CG TRP A 83 -2.396 -18.646 2.248 1.00 4.15 C ATOM 1210 CD1 TRP A 83 -2.993 -19.748 1.695 1.00 74.54 C ATOM 1211 CD2 TRP A 83 -2.066 -19.002 3.565 1.00 10.42 C ATOM 1212 NE1 TRP A 83 -2.990 -20.777 2.578 1.00 2.05 N ATOM 1213 CE2 TRP A 83 -2.444 -20.341 3.747 1.00 1.42 C ATOM 1214 CE3 TRP A 83 -1.473 -18.315 4.608 1.00 11.13 C ATOM 1215 CZ2 TRP A 83 -2.250 -21.000 4.935 1.00 35.25 C ATOM 1216 CZ3 TRP A 83 -1.288 -18.969 5.804 1.00 32.44 C ATOM 1217 CH2 TRP A 83 -1.678 -20.304 5.953 1.00 51.23 C ATOM 0 H TRP A 83 -1.332 -18.562 -0.387 1.00 71.43 H new ATOM 0 HA TRP A 83 -3.821 -17.383 0.320 1.00 35.15 H new ATOM 0 HB2 TRP A 83 -1.079 -17.143 1.550 1.00 34.31 H new ATOM 0 HB3 TRP A 83 -2.557 -16.535 2.269 1.00 34.31 H new ATOM 0 HD1 TRP A 83 -3.407 -19.791 0.698 1.00 74.54 H new ATOM 0 HE1 TRP A 83 -3.338 -21.719 2.397 1.00 2.05 H new ATOM 0 HE3 TRP A 83 -1.162 -17.288 4.487 1.00 11.13 H new ATOM 0 HZ2 TRP A 83 -2.541 -22.033 5.057 1.00 35.25 H new ATOM 0 HZ3 TRP A 83 -0.838 -18.447 6.635 1.00 32.44 H new ATOM 0 HH2 TRP A 83 -1.520 -20.795 6.902 1.00 51.23 H new ATOM 1228 N ASN A 84 -1.404 -15.409 -0.694 1.00 23.45 N ATOM 1229 CA ASN A 84 -1.081 -14.130 -1.355 1.00 34.15 C ATOM 1230 C ASN A 84 -2.117 -13.847 -2.465 1.00 32.11 C ATOM 1231 O ASN A 84 -2.663 -12.732 -2.571 1.00 40.15 O ATOM 1232 CB ASN A 84 0.383 -14.214 -1.895 1.00 71.11 C ATOM 1233 CG ASN A 84 0.828 -13.122 -2.862 1.00 33.45 C ATOM 1234 OD1 ASN A 84 0.334 -11.988 -2.850 1.00 10.40 O ATOM 1235 ND2 ASN A 84 1.829 -13.436 -3.663 1.00 13.44 N ATOM 0 H ASN A 84 -0.600 -16.031 -0.609 1.00 23.45 H new ATOM 0 HA ASN A 84 -1.134 -13.295 -0.657 1.00 34.15 H new ATOM 0 HB2 ASN A 84 1.060 -14.207 -1.041 1.00 71.11 H new ATOM 0 HB3 ASN A 84 0.506 -15.177 -2.391 1.00 71.11 H new ATOM 0 HD21 ASN A 84 2.216 -12.735 -4.295 1.00 13.44 H new ATOM 0 HD22 ASN A 84 2.216 -14.380 -3.650 1.00 13.44 H new ATOM 1242 N GLN A 85 -2.440 -14.883 -3.224 1.00 21.24 N ATOM 1243 CA GLN A 85 -3.480 -14.819 -4.230 1.00 64.31 C ATOM 1244 C GLN A 85 -4.875 -14.657 -3.568 1.00 41.22 C ATOM 1245 O GLN A 85 -5.607 -13.744 -3.908 1.00 61.13 O ATOM 1246 CB GLN A 85 -3.449 -16.075 -5.112 1.00 63.20 C ATOM 1247 CG GLN A 85 -4.510 -16.094 -6.204 1.00 71.12 C ATOM 1248 CD GLN A 85 -4.475 -17.355 -7.041 1.00 44.22 C ATOM 1249 OE1 GLN A 85 -4.099 -18.417 -6.573 1.00 2.35 O ATOM 1250 NE2 GLN A 85 -4.872 -17.247 -8.282 1.00 75.04 N ATOM 0 H GLN A 85 -1.985 -15.793 -3.157 1.00 21.24 H new ATOM 0 HA GLN A 85 -3.296 -13.947 -4.858 1.00 64.31 H new ATOM 0 HB2 GLN A 85 -2.465 -16.157 -5.575 1.00 63.20 H new ATOM 0 HB3 GLN A 85 -3.578 -16.953 -4.480 1.00 63.20 H new ATOM 0 HG2 GLN A 85 -5.495 -15.995 -5.748 1.00 71.12 H new ATOM 0 HG3 GLN A 85 -4.371 -15.230 -6.853 1.00 71.12 H new ATOM 0 HE21 GLN A 85 -5.180 -16.344 -8.642 1.00 75.04 H new ATOM 0 HE22 GLN A 85 -4.873 -18.066 -8.890 1.00 75.04 H new ATOM 1259 N LEU A 86 -5.199 -15.533 -2.602 1.00 43.33 N ATOM 1260 CA LEU A 86 -6.503 -15.560 -1.871 1.00 4.13 C ATOM 1261 C LEU A 86 -6.876 -14.206 -1.257 1.00 63.31 C ATOM 1262 O LEU A 86 -8.057 -13.879 -1.128 1.00 64.20 O ATOM 1263 CB LEU A 86 -6.476 -16.586 -0.714 1.00 71.11 C ATOM 1264 CG LEU A 86 -6.295 -18.076 -1.056 1.00 12.53 C ATOM 1265 CD1 LEU A 86 -6.224 -18.885 0.208 1.00 2.42 C ATOM 1266 CD2 LEU A 86 -7.426 -18.604 -1.907 1.00 44.54 C ATOM 0 H LEU A 86 -4.557 -16.262 -2.292 1.00 43.33 H new ATOM 0 HA LEU A 86 -7.242 -15.832 -2.625 1.00 4.13 H new ATOM 0 HB2 LEU A 86 -5.670 -16.301 -0.037 1.00 71.11 H new ATOM 0 HB3 LEU A 86 -7.409 -16.484 -0.159 1.00 71.11 H new ATOM 0 HG LEU A 86 -5.368 -18.166 -1.622 1.00 12.53 H new ATOM 0 HD11 LEU A 86 -6.096 -19.938 -0.041 1.00 2.42 H new ATOM 0 HD12 LEU A 86 -5.379 -18.549 0.808 1.00 2.42 H new ATOM 0 HD13 LEU A 86 -7.146 -18.756 0.775 1.00 2.42 H new ATOM 0 HD21 LEU A 86 -7.256 -19.659 -2.124 1.00 44.54 H new ATOM 0 HD22 LEU A 86 -8.368 -18.491 -1.371 1.00 44.54 H new ATOM 0 HD23 LEU A 86 -7.470 -18.044 -2.841 1.00 44.54 H new ATOM 1278 N MET A 87 -5.874 -13.415 -0.928 1.00 53.30 N ATOM 1279 CA MET A 87 -6.070 -12.174 -0.201 1.00 1.31 C ATOM 1280 C MET A 87 -6.469 -11.115 -1.160 1.00 52.53 C ATOM 1281 O MET A 87 -7.513 -10.473 -1.026 1.00 5.11 O ATOM 1282 CB MET A 87 -4.771 -11.759 0.506 1.00 53.33 C ATOM 1283 CG MET A 87 -4.327 -12.703 1.609 1.00 63.35 C ATOM 1284 SD MET A 87 -2.713 -12.278 2.290 1.00 21.23 S ATOM 1285 CE MET A 87 -3.062 -10.666 2.983 1.00 32.05 C ATOM 0 H MET A 87 -4.900 -13.614 -1.157 1.00 53.30 H new ATOM 0 HA MET A 87 -6.848 -12.315 0.550 1.00 1.31 H new ATOM 0 HB2 MET A 87 -3.975 -11.687 -0.236 1.00 53.33 H new ATOM 0 HB3 MET A 87 -4.904 -10.763 0.929 1.00 53.33 H new ATOM 0 HG2 MET A 87 -5.067 -12.692 2.409 1.00 63.35 H new ATOM 0 HG3 MET A 87 -4.294 -13.720 1.218 1.00 63.35 H new ATOM 0 HE1 MET A 87 -2.555 -9.900 2.396 1.00 32.05 H new ATOM 0 HE2 MET A 87 -4.137 -10.486 2.963 1.00 32.05 H new ATOM 0 HE3 MET A 87 -2.707 -10.628 4.013 1.00 32.05 H new ATOM 1295 N LEU A 88 -5.667 -10.989 -2.165 1.00 11.22 N ATOM 1296 CA LEU A 88 -5.841 -10.039 -3.158 1.00 44.15 C ATOM 1297 C LEU A 88 -7.038 -10.370 -4.039 1.00 54.30 C ATOM 1298 O LEU A 88 -7.833 -9.505 -4.326 1.00 11.00 O ATOM 1299 CB LEU A 88 -4.550 -9.948 -3.940 1.00 35.01 C ATOM 1300 CG LEU A 88 -4.685 -9.392 -5.306 1.00 22.31 C ATOM 1301 CD1 LEU A 88 -5.092 -7.910 -5.276 1.00 21.11 C ATOM 1302 CD2 LEU A 88 -3.443 -9.604 -6.122 1.00 31.53 C ATOM 0 H LEU A 88 -4.847 -11.579 -2.302 1.00 11.22 H new ATOM 0 HA LEU A 88 -6.064 -9.066 -2.721 1.00 44.15 H new ATOM 0 HB2 LEU A 88 -3.846 -9.331 -3.381 1.00 35.01 H new ATOM 0 HB3 LEU A 88 -4.114 -10.945 -4.011 1.00 35.01 H new ATOM 0 HG LEU A 88 -5.489 -9.942 -5.796 1.00 22.31 H new ATOM 0 HD11 LEU A 88 -5.181 -7.536 -6.296 1.00 21.11 H new ATOM 0 HD12 LEU A 88 -6.050 -7.806 -4.766 1.00 21.11 H new ATOM 0 HD13 LEU A 88 -4.334 -7.335 -4.744 1.00 21.11 H new ATOM 0 HD21 LEU A 88 -3.585 -9.181 -7.117 1.00 31.53 H new ATOM 0 HD22 LEU A 88 -2.600 -9.113 -5.636 1.00 31.53 H new ATOM 0 HD23 LEU A 88 -3.241 -10.672 -6.207 1.00 31.53 H new ATOM 1314 N SER A 89 -7.205 -11.625 -4.386 1.00 32.42 N ATOM 1315 CA SER A 89 -8.267 -12.023 -5.298 1.00 14.50 C ATOM 1316 C SER A 89 -9.665 -11.916 -4.656 1.00 4.44 C ATOM 1317 O SER A 89 -10.672 -12.173 -5.299 1.00 45.13 O ATOM 1318 CB SER A 89 -8.018 -13.430 -5.836 1.00 54.21 C ATOM 1319 OG SER A 89 -6.724 -13.518 -6.418 1.00 21.35 O ATOM 0 H SER A 89 -6.622 -12.393 -4.054 1.00 32.42 H new ATOM 0 HA SER A 89 -8.250 -11.323 -6.133 1.00 14.50 H new ATOM 0 HB2 SER A 89 -8.110 -14.156 -5.028 1.00 54.21 H new ATOM 0 HB3 SER A 89 -8.775 -13.681 -6.579 1.00 54.21 H new ATOM 0 HG SER A 89 -6.054 -13.628 -5.711 1.00 21.35 H new