USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=14 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 67 TYR OH : rot -9:sc= -2.19! USER MOD Set 1.2: A 87 MET CE :methyl 166:sc= -4.35 (180deg=-6.24!) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -115:sc= 0.245 (180deg=-0.0121) USER MOD Set 2.2: A 65 ASN : amide:sc= 1.77 K(o=2,f=-9.6!) USER MOD Set 3.1: A 40 HIS : no HE2:sc= -1.5! C(o=-1.9!,f=-6.2!) USER MOD Set 3.2: A 43 SER OG : rot 180:sc= -0.438 USER MOD Single : A 17 HIS : no HE2:sc= 1.32 K(o=1.3,f=-4.2!) USER MOD Single : A 21 TYR OH : rot -105:sc= 2 USER MOD Single : A 22 GLN : amide:sc= 0.312 X(o=0.31,f=-0.053) USER MOD Single : A 23 GLN : amide:sc= -0.22 K(o=-0.22,f=-3.2!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 33 ASN : amide:sc= -0.0737 X(o=-0.074,f=-0.0042) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 37 GLN : amide:sc= -0.0965 X(o=-0.097,f=-0.25) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.126 F(o=-0.82,f=-0.13) USER MOD Single : A 44 ASN : amide:sc= -0.237 K(o=-0.24,f=-5.9!) USER MOD Single : A 47 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.8!) USER MOD Single : A 56 MET CE :methyl 145:sc= -0.454 (180deg=-2.5!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0545 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00871 USER MOD Single : A 84 ASN : amide:sc= 0.514 K(o=0.51,f=-2.1) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot -89:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -4.951 -6.369 -0.559 1.00 14.12 N ATOM 52 CA HIS A 17 -4.805 -6.901 0.780 1.00 50.43 C ATOM 53 C HIS A 17 -3.652 -7.832 0.913 1.00 54.12 C ATOM 54 O HIS A 17 -3.178 -8.077 1.986 1.00 53.13 O ATOM 55 CB HIS A 17 -6.076 -7.394 1.402 1.00 70.43 C ATOM 56 CG HIS A 17 -6.741 -6.357 2.236 1.00 21.33 C ATOM 57 ND1 HIS A 17 -6.472 -6.181 3.572 1.00 32.10 N ATOM 58 CD2 HIS A 17 -7.678 -5.436 1.915 1.00 4.32 C ATOM 59 CE1 HIS A 17 -7.240 -5.191 4.023 1.00 21.43 C ATOM 60 NE2 HIS A 17 -7.999 -4.697 3.046 1.00 15.43 N ATOM 0 HA HIS A 17 -4.550 -6.039 1.396 1.00 50.43 H new ATOM 0 HB2 HIS A 17 -6.759 -7.718 0.617 1.00 70.43 H new ATOM 0 HB3 HIS A 17 -5.861 -8.268 2.017 1.00 70.43 H new ATOM 0 HD1 HIS A 17 -5.800 -6.716 4.123 1.00 32.10 H new ATOM 0 HD2 HIS A 17 -8.108 -5.297 0.934 1.00 4.32 H new ATOM 0 HE1 HIS A 17 -7.247 -4.836 5.043 1.00 21.43 H new ATOM 68 N ALA A 18 -3.182 -8.341 -0.209 1.00 14.34 N ATOM 69 CA ALA A 18 -1.955 -9.137 -0.257 1.00 12.23 C ATOM 70 C ALA A 18 -0.769 -8.389 0.415 1.00 71.35 C ATOM 71 O ALA A 18 0.269 -8.939 0.643 1.00 60.05 O ATOM 72 CB ALA A 18 -1.633 -9.552 -1.665 1.00 11.04 C ATOM 0 H ALA A 18 -3.633 -8.219 -1.115 1.00 14.34 H new ATOM 0 HA ALA A 18 -2.124 -10.048 0.317 1.00 12.23 H new ATOM 0 HB1 ALA A 18 -0.716 -10.142 -1.670 1.00 11.04 H new ATOM 0 HB2 ALA A 18 -2.452 -10.150 -2.064 1.00 11.04 H new ATOM 0 HB3 ALA A 18 -1.497 -8.665 -2.284 1.00 11.04 H new ATOM 78 N ALA A 19 -0.928 -7.095 0.614 1.00 1.15 N ATOM 79 CA ALA A 19 -0.010 -6.294 1.382 1.00 24.02 C ATOM 80 C ALA A 19 0.143 -6.854 2.818 1.00 11.40 C ATOM 81 O ALA A 19 1.222 -6.793 3.379 1.00 13.32 O ATOM 82 CB ALA A 19 -0.490 -4.848 1.394 1.00 11.15 C ATOM 0 H ALA A 19 -1.715 -6.566 0.237 1.00 1.15 H new ATOM 0 HA ALA A 19 0.976 -6.330 0.918 1.00 24.02 H new ATOM 0 HB1 ALA A 19 0.203 -4.239 1.975 1.00 11.15 H new ATOM 0 HB2 ALA A 19 -0.535 -4.471 0.372 1.00 11.15 H new ATOM 0 HB3 ALA A 19 -1.482 -4.798 1.844 1.00 11.15 H new ATOM 88 N ASP A 20 -0.939 -7.460 3.365 1.00 21.11 N ATOM 89 CA ASP A 20 -0.914 -8.113 4.704 1.00 11.04 C ATOM 90 C ASP A 20 0.047 -9.299 4.671 1.00 40.23 C ATOM 91 O ASP A 20 0.610 -9.701 5.692 1.00 71.22 O ATOM 92 CB ASP A 20 -2.309 -8.671 5.131 1.00 63.23 C ATOM 93 CG ASP A 20 -3.410 -7.656 5.388 1.00 51.43 C ATOM 94 OD1 ASP A 20 -3.400 -7.016 6.448 1.00 51.32 O ATOM 95 OD2 ASP A 20 -4.352 -7.571 4.563 1.00 22.23 O ATOM 0 H ASP A 20 -1.845 -7.512 2.900 1.00 21.11 H new ATOM 0 HA ASP A 20 -0.605 -7.347 5.416 1.00 11.04 H new ATOM 0 HB2 ASP A 20 -2.653 -9.354 4.354 1.00 63.23 H new ATOM 0 HB3 ASP A 20 -2.174 -9.261 6.037 1.00 63.23 H new ATOM 100 N TYR A 21 0.234 -9.856 3.466 1.00 51.12 N ATOM 101 CA TYR A 21 1.115 -11.021 3.232 1.00 34.13 C ATOM 102 C TYR A 21 2.537 -10.717 3.645 1.00 51.23 C ATOM 103 O TYR A 21 3.286 -11.623 4.046 1.00 21.13 O ATOM 104 CB TYR A 21 1.031 -11.489 1.748 1.00 52.23 C ATOM 105 CG TYR A 21 2.361 -11.776 1.056 1.00 75.24 C ATOM 106 CD1 TYR A 21 3.075 -10.763 0.415 1.00 15.23 C ATOM 107 CD2 TYR A 21 2.892 -13.040 1.050 1.00 73.21 C ATOM 108 CE1 TYR A 21 4.280 -11.024 -0.198 1.00 50.34 C ATOM 109 CE2 TYR A 21 4.083 -13.319 0.442 1.00 41.22 C ATOM 110 CZ TYR A 21 4.783 -12.303 -0.184 1.00 22.11 C ATOM 111 OH TYR A 21 5.995 -12.565 -0.784 1.00 63.45 O ATOM 0 H TYR A 21 -0.221 -9.514 2.620 1.00 51.12 H new ATOM 0 HA TYR A 21 0.767 -11.845 3.855 1.00 34.13 H new ATOM 0 HB2 TYR A 21 0.422 -12.392 1.707 1.00 52.23 H new ATOM 0 HB3 TYR A 21 0.505 -10.724 1.177 1.00 52.23 H new ATOM 0 HD1 TYR A 21 2.677 -9.759 0.399 1.00 15.23 H new ATOM 0 HD2 TYR A 21 2.353 -13.838 1.540 1.00 73.21 H new ATOM 0 HE1 TYR A 21 4.826 -10.230 -0.686 1.00 50.34 H new ATOM 0 HE2 TYR A 21 4.475 -14.325 0.450 1.00 41.22 H new ATOM 0 HH TYR A 21 5.846 -13.034 -1.631 1.00 63.45 H new ATOM 121 N GLN A 22 2.886 -9.448 3.556 1.00 41.31 N ATOM 122 CA GLN A 22 4.180 -8.956 3.944 1.00 31.24 C ATOM 123 C GLN A 22 4.394 -9.297 5.409 1.00 41.23 C ATOM 124 O GLN A 22 5.250 -10.127 5.740 1.00 33.11 O ATOM 125 CB GLN A 22 4.217 -7.434 3.687 1.00 43.20 C ATOM 126 CG GLN A 22 5.497 -6.702 4.065 1.00 54.44 C ATOM 127 CD GLN A 22 6.734 -7.298 3.432 1.00 10.41 C ATOM 128 OE1 GLN A 22 7.091 -6.976 2.300 1.00 64.23 O ATOM 129 NE2 GLN A 22 7.445 -8.070 4.188 1.00 22.23 N ATOM 0 H GLN A 22 2.261 -8.722 3.205 1.00 41.31 H new ATOM 0 HA GLN A 22 4.983 -9.414 3.367 1.00 31.24 H new ATOM 0 HB2 GLN A 22 4.030 -7.265 2.627 1.00 43.20 H new ATOM 0 HB3 GLN A 22 3.391 -6.978 4.233 1.00 43.20 H new ATOM 0 HG2 GLN A 22 5.412 -5.657 3.767 1.00 54.44 H new ATOM 0 HG3 GLN A 22 5.609 -6.716 5.149 1.00 54.44 H new ATOM 0 HE21 GLN A 22 7.115 -8.314 5.122 1.00 22.23 H new ATOM 0 HE22 GLN A 22 8.336 -8.434 3.851 1.00 22.23 H new ATOM 138 N GLN A 23 3.510 -8.775 6.244 1.00 3.44 N ATOM 139 CA GLN A 23 3.592 -8.989 7.691 1.00 71.51 C ATOM 140 C GLN A 23 3.403 -10.464 8.040 1.00 51.41 C ATOM 141 O GLN A 23 4.035 -10.988 8.979 1.00 53.32 O ATOM 142 CB GLN A 23 2.555 -8.148 8.471 1.00 23.31 C ATOM 143 CG GLN A 23 2.753 -6.634 8.412 1.00 53.22 C ATOM 144 CD GLN A 23 2.526 -6.044 7.035 1.00 21.10 C ATOM 145 OE1 GLN A 23 1.718 -6.536 6.264 1.00 13.45 O ATOM 146 NE2 GLN A 23 3.267 -5.027 6.701 1.00 61.34 N ATOM 0 H GLN A 23 2.723 -8.197 5.949 1.00 3.44 H new ATOM 0 HA GLN A 23 4.589 -8.666 7.990 1.00 71.51 H new ATOM 0 HB2 GLN A 23 1.562 -8.382 8.087 1.00 23.31 H new ATOM 0 HB3 GLN A 23 2.574 -8.458 9.516 1.00 23.31 H new ATOM 0 HG2 GLN A 23 2.071 -6.159 9.118 1.00 53.22 H new ATOM 0 HG3 GLN A 23 3.766 -6.396 8.737 1.00 53.22 H new ATOM 0 HE21 GLN A 23 3.933 -4.640 7.370 1.00 61.34 H new ATOM 0 HE22 GLN A 23 3.182 -4.618 5.771 1.00 61.34 H new ATOM 155 N LEU A 24 2.517 -11.125 7.289 1.00 64.34 N ATOM 156 CA LEU A 24 2.235 -12.542 7.472 1.00 50.43 C ATOM 157 C LEU A 24 3.499 -13.366 7.379 1.00 21.41 C ATOM 158 O LEU A 24 3.890 -14.051 8.339 1.00 64.04 O ATOM 159 CB LEU A 24 1.289 -13.069 6.395 1.00 34.35 C ATOM 160 CG LEU A 24 0.964 -14.556 6.530 1.00 65.22 C ATOM 161 CD1 LEU A 24 -0.124 -14.815 7.538 1.00 3.31 C ATOM 162 CD2 LEU A 24 0.681 -15.211 5.204 1.00 71.33 C ATOM 0 H LEU A 24 1.979 -10.689 6.540 1.00 64.34 H new ATOM 0 HA LEU A 24 1.781 -12.634 8.459 1.00 50.43 H new ATOM 0 HB2 LEU A 24 0.360 -12.499 6.431 1.00 34.35 H new ATOM 0 HB3 LEU A 24 1.734 -12.892 5.416 1.00 34.35 H new ATOM 0 HG LEU A 24 1.866 -15.029 6.917 1.00 65.22 H new ATOM 0 HD11 LEU A 24 -0.318 -15.886 7.597 1.00 3.31 H new ATOM 0 HD12 LEU A 24 0.191 -14.449 8.515 1.00 3.31 H new ATOM 0 HD13 LEU A 24 -1.034 -14.298 7.233 1.00 3.31 H new ATOM 0 HD21 LEU A 24 0.456 -16.266 5.360 1.00 71.33 H new ATOM 0 HD22 LEU A 24 -0.173 -14.724 4.733 1.00 71.33 H new ATOM 0 HD23 LEU A 24 1.554 -15.117 4.558 1.00 71.33 H new ATOM 174 N ARG A 25 4.151 -13.279 6.228 1.00 34.33 N ATOM 175 CA ARG A 25 5.257 -14.104 5.934 1.00 42.01 C ATOM 176 C ARG A 25 6.447 -13.766 6.828 1.00 42.30 C ATOM 177 O ARG A 25 7.182 -14.662 7.226 1.00 50.43 O ATOM 178 CB ARG A 25 5.566 -14.080 4.423 1.00 34.42 C ATOM 179 CG ARG A 25 6.461 -15.211 3.999 1.00 63.14 C ATOM 180 CD ARG A 25 6.459 -15.463 2.480 1.00 20.35 C ATOM 181 NE ARG A 25 7.067 -14.409 1.652 1.00 63.15 N ATOM 182 CZ ARG A 25 8.149 -14.591 0.853 1.00 51.43 C ATOM 183 NH1 ARG A 25 8.984 -15.636 1.040 1.00 33.23 N ATOM 184 NH2 ARG A 25 8.384 -13.728 -0.133 1.00 25.25 N ATOM 0 H ARG A 25 3.907 -12.624 5.485 1.00 34.33 H new ATOM 0 HA ARG A 25 5.010 -15.140 6.168 1.00 42.01 H new ATOM 0 HB2 ARG A 25 4.632 -14.131 3.864 1.00 34.42 H new ATOM 0 HB3 ARG A 25 6.039 -13.132 4.167 1.00 34.42 H new ATOM 0 HG2 ARG A 25 7.480 -14.998 4.322 1.00 63.14 H new ATOM 0 HG3 ARG A 25 6.149 -16.122 4.510 1.00 63.14 H new ATOM 0 HD2 ARG A 25 6.984 -16.398 2.286 1.00 20.35 H new ATOM 0 HD3 ARG A 25 5.428 -15.603 2.156 1.00 20.35 H new ATOM 0 HE ARG A 25 6.647 -13.480 1.681 1.00 63.15 H new ATOM 0 HH11 ARG A 25 8.806 -16.303 1.791 1.00 33.23 H new ATOM 0 HH12 ARG A 25 9.793 -15.758 0.430 1.00 33.23 H new ATOM 0 HH21 ARG A 25 7.754 -12.940 -0.282 1.00 25.25 H new ATOM 0 HH22 ARG A 25 9.194 -13.855 -0.740 1.00 25.25 H new ATOM 198 N GLU A 26 6.581 -12.488 7.194 1.00 11.22 N ATOM 199 CA GLU A 26 7.618 -12.049 8.139 1.00 34.11 C ATOM 200 C GLU A 26 7.496 -12.777 9.474 1.00 60.12 C ATOM 201 O GLU A 26 8.481 -13.328 9.981 1.00 65.34 O ATOM 202 CB GLU A 26 7.550 -10.549 8.380 1.00 24.02 C ATOM 203 CG GLU A 26 7.981 -9.708 7.205 1.00 5.23 C ATOM 204 CD GLU A 26 7.772 -8.239 7.459 1.00 24.33 C ATOM 205 OE1 GLU A 26 8.546 -7.654 8.228 1.00 53.42 O ATOM 206 OE2 GLU A 26 6.834 -7.669 6.866 1.00 30.11 O ATOM 0 H GLU A 26 5.984 -11.736 6.851 1.00 11.22 H new ATOM 0 HA GLU A 26 8.579 -12.293 7.686 1.00 34.11 H new ATOM 0 HB2 GLU A 26 6.527 -10.282 8.646 1.00 24.02 H new ATOM 0 HB3 GLU A 26 8.177 -10.302 9.237 1.00 24.02 H new ATOM 0 HG2 GLU A 26 9.034 -9.893 6.993 1.00 5.23 H new ATOM 0 HG3 GLU A 26 7.420 -10.007 6.320 1.00 5.23 H new ATOM 213 N ARG A 27 6.287 -12.806 10.037 1.00 22.34 N ATOM 214 CA ARG A 27 6.084 -13.471 11.291 1.00 73.33 C ATOM 215 C ARG A 27 6.222 -14.975 11.162 1.00 62.04 C ATOM 216 O ARG A 27 6.740 -15.626 12.053 1.00 40.31 O ATOM 217 CB ARG A 27 4.764 -13.107 11.932 1.00 24.22 C ATOM 218 CG ARG A 27 4.562 -13.876 13.211 1.00 2.45 C ATOM 219 CD ARG A 27 3.460 -13.335 14.028 1.00 5.55 C ATOM 220 NE ARG A 27 3.120 -14.259 15.118 1.00 10.43 N ATOM 221 CZ ARG A 27 2.505 -13.958 16.253 1.00 74.24 C ATOM 222 NH1 ARG A 27 2.101 -12.704 16.507 1.00 73.11 N ATOM 223 NH2 ARG A 27 2.292 -14.926 17.132 1.00 34.25 N ATOM 0 H ARG A 27 5.452 -12.377 9.637 1.00 22.34 H new ATOM 0 HA ARG A 27 6.874 -13.116 11.952 1.00 73.33 H new ATOM 0 HB2 ARG A 27 4.737 -12.037 12.137 1.00 24.22 H new ATOM 0 HB3 ARG A 27 3.948 -13.320 11.241 1.00 24.22 H new ATOM 0 HG2 ARG A 27 4.356 -14.920 12.975 1.00 2.45 H new ATOM 0 HG3 ARG A 27 5.484 -13.857 13.792 1.00 2.45 H new ATOM 0 HD2 ARG A 27 3.747 -12.368 14.441 1.00 5.55 H new ATOM 0 HD3 ARG A 27 2.584 -13.167 13.401 1.00 5.55 H new ATOM 0 HE ARG A 27 3.385 -15.235 14.988 1.00 10.43 H new ATOM 0 HH11 ARG A 27 2.266 -11.966 15.822 1.00 73.11 H new ATOM 0 HH12 ARG A 27 1.629 -12.488 17.385 1.00 73.11 H new ATOM 0 HH21 ARG A 27 2.599 -15.877 16.928 1.00 34.25 H new ATOM 0 HH22 ARG A 27 1.821 -14.720 18.013 1.00 34.25 H new ATOM 237 N LEU A 28 5.806 -15.516 10.038 1.00 1.44 N ATOM 238 CA LEU A 28 5.874 -16.956 9.819 1.00 73.23 C ATOM 239 C LEU A 28 7.304 -17.420 9.806 1.00 23.22 C ATOM 240 O LEU A 28 7.626 -18.426 10.397 1.00 71.02 O ATOM 241 CB LEU A 28 5.168 -17.354 8.539 1.00 62.04 C ATOM 242 CG LEU A 28 3.657 -17.236 8.553 1.00 20.43 C ATOM 243 CD1 LEU A 28 3.116 -17.450 7.178 1.00 72.23 C ATOM 244 CD2 LEU A 28 3.064 -18.260 9.479 1.00 4.53 C ATOM 0 H LEU A 28 5.416 -14.986 9.258 1.00 1.44 H new ATOM 0 HA LEU A 28 5.359 -17.445 10.646 1.00 73.23 H new ATOM 0 HB2 LEU A 28 5.554 -16.738 7.727 1.00 62.04 H new ATOM 0 HB3 LEU A 28 5.431 -18.386 8.308 1.00 62.04 H new ATOM 0 HG LEU A 28 3.392 -16.237 8.900 1.00 20.43 H new ATOM 0 HD11 LEU A 28 2.030 -17.364 7.197 1.00 72.23 H new ATOM 0 HD12 LEU A 28 3.528 -16.699 6.504 1.00 72.23 H new ATOM 0 HD13 LEU A 28 3.395 -18.444 6.828 1.00 72.23 H new ATOM 0 HD21 LEU A 28 1.978 -18.164 9.480 1.00 4.53 H new ATOM 0 HD22 LEU A 28 3.340 -19.259 9.141 1.00 4.53 H new ATOM 0 HD23 LEU A 28 3.443 -18.100 10.488 1.00 4.53 H new ATOM 256 N ILE A 29 8.149 -16.644 9.162 1.00 2.54 N ATOM 257 CA ILE A 29 9.585 -16.880 9.127 1.00 64.32 C ATOM 258 C ILE A 29 10.131 -17.073 10.552 1.00 11.13 C ATOM 259 O ILE A 29 10.880 -17.997 10.827 1.00 73.45 O ATOM 260 CB ILE A 29 10.279 -15.670 8.432 1.00 3.33 C ATOM 261 CG1 ILE A 29 10.054 -15.718 6.913 1.00 71.43 C ATOM 262 CG2 ILE A 29 11.750 -15.557 8.788 1.00 25.52 C ATOM 263 CD1 ILE A 29 10.542 -14.491 6.173 1.00 54.23 C ATOM 0 H ILE A 29 7.858 -15.818 8.639 1.00 2.54 H new ATOM 0 HA ILE A 29 9.793 -17.789 8.563 1.00 64.32 H new ATOM 0 HB ILE A 29 9.812 -14.762 8.814 1.00 3.33 H new ATOM 0 HG12 ILE A 29 10.559 -16.596 6.510 1.00 71.43 H new ATOM 0 HG13 ILE A 29 8.989 -15.846 6.719 1.00 71.43 H new ATOM 0 HG21 ILE A 29 12.183 -14.698 8.276 1.00 25.52 H new ATOM 0 HG22 ILE A 29 11.855 -15.429 9.865 1.00 25.52 H new ATOM 0 HG23 ILE A 29 12.270 -16.464 8.478 1.00 25.52 H new ATOM 0 HD11 ILE A 29 10.345 -14.607 5.107 1.00 54.23 H new ATOM 0 HD12 ILE A 29 10.019 -13.610 6.545 1.00 54.23 H new ATOM 0 HD13 ILE A 29 11.614 -14.372 6.333 1.00 54.23 H new ATOM 275 N GLN A 30 9.670 -16.248 11.442 1.00 33.25 N ATOM 276 CA GLN A 30 10.127 -16.253 12.807 1.00 11.14 C ATOM 277 C GLN A 30 9.432 -17.360 13.624 1.00 63.33 C ATOM 278 O GLN A 30 10.075 -18.091 14.363 1.00 54.32 O ATOM 279 CB GLN A 30 9.840 -14.888 13.417 1.00 74.04 C ATOM 280 CG GLN A 30 10.440 -13.730 12.629 1.00 70.44 C ATOM 281 CD GLN A 30 10.002 -12.372 13.143 1.00 32.22 C ATOM 282 OE1 GLN A 30 9.741 -12.191 14.321 1.00 42.21 O ATOM 283 NE2 GLN A 30 9.882 -11.422 12.250 1.00 21.43 N ATOM 0 H GLN A 30 8.959 -15.544 11.244 1.00 33.25 H new ATOM 0 HA GLN A 30 11.198 -16.457 12.827 1.00 11.14 H new ATOM 0 HB2 GLN A 30 8.761 -14.749 13.486 1.00 74.04 H new ATOM 0 HB3 GLN A 30 10.230 -14.865 14.435 1.00 74.04 H new ATOM 0 HG2 GLN A 30 11.527 -13.794 12.671 1.00 70.44 H new ATOM 0 HG3 GLN A 30 10.155 -13.825 11.581 1.00 70.44 H new ATOM 0 HE21 GLN A 30 10.109 -11.609 11.273 1.00 21.43 H new ATOM 0 HE22 GLN A 30 9.561 -10.495 12.531 1.00 21.43 H new ATOM 292 N GLU A 31 8.128 -17.502 13.440 1.00 11.03 N ATOM 293 CA GLU A 31 7.327 -18.407 14.258 1.00 64.51 C ATOM 294 C GLU A 31 7.478 -19.884 13.834 1.00 73.03 C ATOM 295 O GLU A 31 7.236 -20.793 14.637 1.00 41.44 O ATOM 296 CB GLU A 31 5.851 -17.990 14.228 1.00 33.30 C ATOM 297 CG GLU A 31 5.054 -18.519 15.414 1.00 13.23 C ATOM 298 CD GLU A 31 3.599 -18.159 15.368 1.00 22.10 C ATOM 299 OE1 GLU A 31 3.226 -17.022 15.724 1.00 10.12 O ATOM 300 OE2 GLU A 31 2.789 -19.016 14.986 1.00 15.44 O ATOM 0 H GLU A 31 7.598 -17.000 12.728 1.00 11.03 H new ATOM 0 HA GLU A 31 7.704 -18.330 15.278 1.00 64.51 H new ATOM 0 HB2 GLU A 31 5.788 -16.902 14.212 1.00 33.30 H new ATOM 0 HB3 GLU A 31 5.397 -18.349 13.304 1.00 33.30 H new ATOM 0 HG2 GLU A 31 5.150 -19.604 15.451 1.00 13.23 H new ATOM 0 HG3 GLU A 31 5.487 -18.129 16.335 1.00 13.23 H new ATOM 307 N LEU A 32 7.843 -20.119 12.580 1.00 50.14 N ATOM 308 CA LEU A 32 8.064 -21.489 12.087 1.00 64.42 C ATOM 309 C LEU A 32 9.514 -21.868 12.287 1.00 3.54 C ATOM 310 O LEU A 32 9.885 -23.028 12.134 1.00 2.32 O ATOM 311 CB LEU A 32 7.768 -21.604 10.591 1.00 74.22 C ATOM 312 CG LEU A 32 6.391 -21.177 10.076 1.00 20.33 C ATOM 313 CD1 LEU A 32 6.382 -21.311 8.584 1.00 74.43 C ATOM 314 CD2 LEU A 32 5.263 -22.004 10.676 1.00 53.01 C ATOM 0 H LEU A 32 7.994 -19.390 11.883 1.00 50.14 H new ATOM 0 HA LEU A 32 7.395 -22.146 12.643 1.00 64.42 H new ATOM 0 HB2 LEU A 32 8.516 -21.015 10.060 1.00 74.22 H new ATOM 0 HB3 LEU A 32 7.920 -22.644 10.304 1.00 74.22 H new ATOM 0 HG LEU A 32 6.218 -20.144 10.377 1.00 20.33 H new ATOM 0 HD11 LEU A 32 5.408 -21.011 8.198 1.00 74.43 H new ATOM 0 HD12 LEU A 32 7.154 -20.672 8.157 1.00 74.43 H new ATOM 0 HD13 LEU A 32 6.577 -22.348 8.311 1.00 74.43 H new ATOM 0 HD21 LEU A 32 4.308 -21.660 10.278 1.00 53.01 H new ATOM 0 HD22 LEU A 32 5.406 -23.054 10.421 1.00 53.01 H new ATOM 0 HD23 LEU A 32 5.266 -21.891 11.760 1.00 53.01 H new ATOM 326 N ASN A 33 10.319 -20.864 12.638 1.00 71.03 N ATOM 327 CA ASN A 33 11.769 -20.994 12.781 1.00 43.54 C ATOM 328 C ASN A 33 12.384 -21.308 11.408 1.00 41.15 C ATOM 329 O ASN A 33 12.886 -22.408 11.136 1.00 63.12 O ATOM 330 CB ASN A 33 12.156 -22.045 13.856 1.00 22.23 C ATOM 331 CG ASN A 33 13.657 -22.110 14.157 1.00 44.33 C ATOM 332 OD1 ASN A 33 14.157 -21.426 15.039 1.00 53.32 O ATOM 333 ND2 ASN A 33 14.376 -22.926 13.429 1.00 31.11 N ATOM 0 H ASN A 33 9.976 -19.924 12.834 1.00 71.03 H new ATOM 0 HA ASN A 33 12.177 -20.048 13.137 1.00 43.54 H new ATOM 0 HB2 ASN A 33 11.621 -21.819 14.778 1.00 22.23 H new ATOM 0 HB3 ASN A 33 11.820 -23.028 13.525 1.00 22.23 H new ATOM 0 HD21 ASN A 33 15.380 -23.003 13.591 1.00 31.11 H new ATOM 0 HD22 ASN A 33 13.932 -23.485 12.700 1.00 31.11 H new ATOM 340 N LEU A 34 12.259 -20.347 10.526 1.00 33.23 N ATOM 341 CA LEU A 34 12.730 -20.440 9.170 1.00 1.20 C ATOM 342 C LEU A 34 13.390 -19.133 8.764 1.00 43.14 C ATOM 343 O LEU A 34 13.558 -18.238 9.578 1.00 11.53 O ATOM 344 CB LEU A 34 11.564 -20.790 8.201 1.00 43.24 C ATOM 345 CG LEU A 34 11.032 -22.227 8.252 1.00 41.11 C ATOM 346 CD1 LEU A 34 9.901 -22.403 7.261 1.00 33.32 C ATOM 347 CD2 LEU A 34 12.146 -23.228 7.959 1.00 12.33 C ATOM 0 H LEU A 34 11.814 -19.454 10.740 1.00 33.23 H new ATOM 0 HA LEU A 34 13.466 -21.242 9.110 1.00 1.20 H new ATOM 0 HB2 LEU A 34 10.735 -20.113 8.408 1.00 43.24 H new ATOM 0 HB3 LEU A 34 11.895 -20.586 7.183 1.00 43.24 H new ATOM 0 HG LEU A 34 10.655 -22.416 9.257 1.00 41.11 H new ATOM 0 HD11 LEU A 34 9.533 -23.428 7.308 1.00 33.32 H new ATOM 0 HD12 LEU A 34 9.092 -21.715 7.506 1.00 33.32 H new ATOM 0 HD13 LEU A 34 10.263 -22.193 6.255 1.00 33.32 H new ATOM 0 HD21 LEU A 34 11.745 -24.241 8.001 1.00 12.33 H new ATOM 0 HD22 LEU A 34 12.553 -23.039 6.965 1.00 12.33 H new ATOM 0 HD23 LEU A 34 12.937 -23.120 8.701 1.00 12.33 H new ATOM 359 N THR A 35 13.786 -19.036 7.525 1.00 64.34 N ATOM 360 CA THR A 35 14.403 -17.841 7.018 1.00 13.54 C ATOM 361 C THR A 35 13.625 -17.419 5.774 1.00 33.13 C ATOM 362 O THR A 35 12.825 -18.218 5.269 1.00 2.44 O ATOM 363 CB THR A 35 15.893 -18.106 6.644 1.00 4.40 C ATOM 364 OG1 THR A 35 15.967 -19.113 5.631 1.00 3.05 O ATOM 365 CG2 THR A 35 16.697 -18.558 7.858 1.00 41.22 C ATOM 0 H THR A 35 13.690 -19.783 6.838 1.00 64.34 H new ATOM 0 HA THR A 35 14.385 -17.058 7.776 1.00 13.54 H new ATOM 0 HB THR A 35 16.317 -17.172 6.275 1.00 4.40 H new ATOM 0 HG1 THR A 35 16.905 -19.275 5.398 1.00 3.05 H new ATOM 0 HG21 THR A 35 17.732 -18.735 7.564 1.00 41.22 H new ATOM 0 HG22 THR A 35 16.665 -17.784 8.625 1.00 41.22 H new ATOM 0 HG23 THR A 35 16.270 -19.479 8.255 1.00 41.22 H new ATOM 373 N PRO A 36 13.832 -16.186 5.240 1.00 3.23 N ATOM 374 CA PRO A 36 13.135 -15.724 4.016 1.00 22.11 C ATOM 375 C PRO A 36 13.418 -16.618 2.805 1.00 34.42 C ATOM 376 O PRO A 36 12.628 -16.672 1.866 1.00 44.41 O ATOM 377 CB PRO A 36 13.716 -14.322 3.778 1.00 70.23 C ATOM 378 CG PRO A 36 14.227 -13.886 5.105 1.00 62.55 C ATOM 379 CD PRO A 36 14.705 -15.127 5.795 1.00 43.42 C ATOM 0 HA PRO A 36 12.052 -15.742 4.142 1.00 22.11 H new ATOM 0 HB2 PRO A 36 14.514 -14.346 3.036 1.00 70.23 H new ATOM 0 HB3 PRO A 36 12.955 -13.638 3.404 1.00 70.23 H new ATOM 0 HG2 PRO A 36 15.037 -13.166 4.993 1.00 62.55 H new ATOM 0 HG3 PRO A 36 13.443 -13.396 5.683 1.00 62.55 H new ATOM 0 HD2 PRO A 36 15.757 -15.323 5.586 1.00 43.42 H new ATOM 0 HD3 PRO A 36 14.604 -15.049 6.878 1.00 43.42 H new ATOM 387 N GLN A 37 14.535 -17.330 2.859 1.00 34.13 N ATOM 388 CA GLN A 37 14.941 -18.196 1.773 1.00 34.24 C ATOM 389 C GLN A 37 14.356 -19.586 1.946 1.00 0.43 C ATOM 390 O GLN A 37 14.078 -20.269 0.975 1.00 44.41 O ATOM 391 CB GLN A 37 16.465 -18.279 1.686 1.00 42.22 C ATOM 392 CG GLN A 37 17.160 -16.933 1.528 1.00 53.33 C ATOM 393 CD GLN A 37 16.652 -16.131 0.343 1.00 2.20 C ATOM 394 OE1 GLN A 37 15.731 -15.342 0.467 1.00 53.20 O ATOM 395 NE2 GLN A 37 17.242 -16.333 -0.806 1.00 11.24 N ATOM 0 H GLN A 37 15.177 -17.321 3.652 1.00 34.13 H new ATOM 0 HA GLN A 37 14.561 -17.769 0.845 1.00 34.24 H new ATOM 0 HB2 GLN A 37 16.842 -18.766 2.585 1.00 42.22 H new ATOM 0 HB3 GLN A 37 16.735 -18.915 0.843 1.00 42.22 H new ATOM 0 HG2 GLN A 37 17.021 -16.351 2.439 1.00 53.33 H new ATOM 0 HG3 GLN A 37 18.232 -17.096 1.415 1.00 53.33 H new ATOM 0 HE21 GLN A 37 18.010 -17.001 -0.875 1.00 11.24 H new ATOM 0 HE22 GLN A 37 16.934 -15.823 -1.634 1.00 11.24 H new ATOM 404 N GLN A 38 14.173 -20.001 3.191 1.00 33.25 N ATOM 405 CA GLN A 38 13.611 -21.313 3.456 1.00 32.23 C ATOM 406 C GLN A 38 12.112 -21.290 3.339 1.00 65.13 C ATOM 407 O GLN A 38 11.501 -22.290 2.994 1.00 54.15 O ATOM 408 CB GLN A 38 14.010 -21.856 4.832 1.00 72.12 C ATOM 409 CG GLN A 38 15.496 -22.132 4.999 1.00 72.54 C ATOM 410 CD GLN A 38 16.051 -23.132 3.994 1.00 13.53 C ATOM 411 OE1 GLN A 38 15.241 -24.070 3.556 1.00 14.50 O flip ATOM 412 NE2 GLN A 38 17.205 -23.058 3.626 1.00 21.11 N flip ATOM 0 H GLN A 38 14.402 -19.456 4.022 1.00 33.25 H new ATOM 0 HA GLN A 38 14.025 -21.982 2.701 1.00 32.23 H new ATOM 0 HB2 GLN A 38 13.699 -21.141 5.594 1.00 72.12 H new ATOM 0 HB3 GLN A 38 13.460 -22.779 5.017 1.00 72.12 H new ATOM 0 HG2 GLN A 38 16.043 -21.194 4.905 1.00 72.54 H new ATOM 0 HG3 GLN A 38 15.676 -22.506 6.007 1.00 72.54 H new ATOM 0 HE21 GLN A 38 17.808 -22.318 3.985 1.00 21.11 H new ATOM 0 HE22 GLN A 38 17.572 -23.736 2.958 1.00 21.11 H new ATOM 421 N LEU A 39 11.518 -20.161 3.638 1.00 32.31 N ATOM 422 CA LEU A 39 10.097 -20.053 3.553 1.00 44.23 C ATOM 423 C LEU A 39 9.744 -19.344 2.261 1.00 53.32 C ATOM 424 O LEU A 39 9.497 -18.116 2.236 1.00 13.25 O ATOM 425 CB LEU A 39 9.507 -19.311 4.772 1.00 52.23 C ATOM 426 CG LEU A 39 8.057 -19.647 5.191 1.00 35.22 C ATOM 427 CD1 LEU A 39 7.641 -18.784 6.349 1.00 61.02 C ATOM 428 CD2 LEU A 39 7.067 -19.502 4.059 1.00 55.24 C ATOM 0 H LEU A 39 11.999 -19.314 3.940 1.00 32.31 H new ATOM 0 HA LEU A 39 9.662 -21.052 3.557 1.00 44.23 H new ATOM 0 HB2 LEU A 39 10.155 -19.504 5.627 1.00 52.23 H new ATOM 0 HB3 LEU A 39 9.557 -18.241 4.569 1.00 52.23 H new ATOM 0 HG LEU A 39 8.050 -20.696 5.486 1.00 35.22 H new ATOM 0 HD11 LEU A 39 6.618 -19.029 6.636 1.00 61.02 H new ATOM 0 HD12 LEU A 39 8.307 -18.962 7.193 1.00 61.02 H new ATOM 0 HD13 LEU A 39 7.695 -17.735 6.059 1.00 61.02 H new ATOM 0 HD21 LEU A 39 6.068 -19.751 4.415 1.00 55.24 H new ATOM 0 HD22 LEU A 39 7.077 -18.474 3.696 1.00 55.24 H new ATOM 0 HD23 LEU A 39 7.341 -20.176 3.247 1.00 55.24 H new ATOM 440 N HIS A 40 9.799 -20.082 1.197 1.00 22.12 N ATOM 441 CA HIS A 40 9.378 -19.596 -0.081 1.00 70.34 C ATOM 442 C HIS A 40 7.876 -19.750 -0.170 1.00 75.13 C ATOM 443 O HIS A 40 7.278 -20.444 0.652 1.00 43.31 O ATOM 444 CB HIS A 40 10.165 -20.229 -1.277 1.00 13.40 C ATOM 445 CG HIS A 40 10.191 -21.738 -1.382 1.00 71.40 C ATOM 446 ND1 HIS A 40 9.740 -22.434 -2.475 1.00 5.24 N ATOM 447 CD2 HIS A 40 10.682 -22.670 -0.531 1.00 52.44 C ATOM 448 CE1 HIS A 40 9.946 -23.729 -2.263 1.00 22.41 C ATOM 449 NE2 HIS A 40 10.519 -23.934 -1.091 1.00 52.40 N ATOM 0 H HIS A 40 10.139 -21.044 1.190 1.00 22.12 H new ATOM 0 HA HIS A 40 9.623 -18.538 -0.169 1.00 70.34 H new ATOM 0 HB2 HIS A 40 9.743 -19.836 -2.202 1.00 13.40 H new ATOM 0 HB3 HIS A 40 11.196 -19.879 -1.223 1.00 13.40 H new ATOM 0 HD1 HIS A 40 9.318 -22.026 -3.309 1.00 5.24 H new ATOM 0 HD2 HIS A 40 11.129 -22.465 0.430 1.00 52.44 H new ATOM 0 HE1 HIS A 40 9.680 -24.512 -2.958 1.00 22.41 H new ATOM 457 N GLU A 41 7.251 -19.116 -1.106 1.00 64.24 N ATOM 458 CA GLU A 41 5.804 -19.089 -1.128 1.00 60.53 C ATOM 459 C GLU A 41 5.193 -20.444 -1.492 1.00 42.22 C ATOM 460 O GLU A 41 4.053 -20.755 -1.121 1.00 2.44 O ATOM 461 CB GLU A 41 5.293 -17.947 -1.997 1.00 23.35 C ATOM 462 CG GLU A 41 5.629 -16.581 -1.418 1.00 11.03 C ATOM 463 CD GLU A 41 5.073 -15.429 -2.215 1.00 72.35 C ATOM 464 OE1 GLU A 41 3.853 -15.401 -2.461 1.00 75.45 O ATOM 465 OE2 GLU A 41 5.843 -14.494 -2.515 1.00 75.44 O ATOM 0 H GLU A 41 7.704 -18.609 -1.866 1.00 64.24 H new ATOM 0 HA GLU A 41 5.464 -18.891 -0.111 1.00 60.53 H new ATOM 0 HB2 GLU A 41 5.725 -18.032 -2.994 1.00 23.35 H new ATOM 0 HB3 GLU A 41 4.212 -18.035 -2.109 1.00 23.35 H new ATOM 0 HG2 GLU A 41 5.246 -16.524 -0.399 1.00 11.03 H new ATOM 0 HG3 GLU A 41 6.713 -16.479 -1.357 1.00 11.03 H new ATOM 472 N GLU A 42 5.961 -21.249 -2.153 1.00 4.33 N ATOM 473 CA GLU A 42 5.544 -22.567 -2.561 1.00 72.11 C ATOM 474 C GLU A 42 5.685 -23.565 -1.398 1.00 70.45 C ATOM 475 O GLU A 42 5.234 -24.708 -1.502 1.00 60.05 O ATOM 476 CB GLU A 42 6.358 -23.064 -3.779 1.00 23.51 C ATOM 477 CG GLU A 42 6.622 -22.018 -4.881 1.00 71.53 C ATOM 478 CD GLU A 42 7.776 -21.084 -4.527 1.00 1.13 C ATOM 479 OE1 GLU A 42 8.919 -21.441 -4.811 1.00 53.13 O ATOM 480 OE2 GLU A 42 7.550 -20.043 -3.883 1.00 42.35 O ATOM 0 H GLU A 42 6.913 -21.012 -2.433 1.00 4.33 H new ATOM 0 HA GLU A 42 4.495 -22.503 -2.852 1.00 72.11 H new ATOM 0 HB2 GLU A 42 7.317 -23.439 -3.423 1.00 23.51 H new ATOM 0 HB3 GLU A 42 5.831 -23.908 -4.224 1.00 23.51 H new ATOM 0 HG2 GLU A 42 6.845 -22.529 -5.818 1.00 71.53 H new ATOM 0 HG3 GLU A 42 5.719 -21.430 -5.045 1.00 71.53 H new ATOM 487 N SER A 43 6.329 -23.143 -0.306 1.00 23.11 N ATOM 488 CA SER A 43 6.445 -23.993 0.866 1.00 41.13 C ATOM 489 C SER A 43 5.067 -24.284 1.460 1.00 21.14 C ATOM 490 O SER A 43 4.234 -23.370 1.622 1.00 14.12 O ATOM 491 CB SER A 43 7.305 -23.326 1.937 1.00 41.12 C ATOM 492 OG SER A 43 8.583 -23.012 1.446 1.00 4.14 O ATOM 0 H SER A 43 6.771 -22.228 -0.216 1.00 23.11 H new ATOM 0 HA SER A 43 6.913 -24.925 0.549 1.00 41.13 H new ATOM 0 HB2 SER A 43 6.814 -22.417 2.286 1.00 41.12 H new ATOM 0 HB3 SER A 43 7.397 -23.989 2.797 1.00 41.12 H new ATOM 0 HG SER A 43 9.110 -22.585 2.154 1.00 4.14 H new ATOM 498 N ASN A 44 4.815 -25.546 1.751 1.00 23.35 N ATOM 499 CA ASN A 44 3.599 -25.920 2.433 1.00 71.52 C ATOM 500 C ASN A 44 3.803 -25.524 3.868 1.00 62.01 C ATOM 501 O ASN A 44 4.800 -25.917 4.463 1.00 34.11 O ATOM 502 CB ASN A 44 3.372 -27.422 2.404 1.00 3.21 C ATOM 503 CG ASN A 44 1.973 -27.801 2.866 1.00 12.42 C ATOM 504 OD1 ASN A 44 1.733 -27.978 4.053 1.00 21.41 O ATOM 505 ND2 ASN A 44 1.054 -27.943 1.941 1.00 1.00 N ATOM 0 H ASN A 44 5.435 -26.324 1.525 1.00 23.35 H new ATOM 0 HA ASN A 44 2.745 -25.440 1.955 1.00 71.52 H new ATOM 0 HB2 ASN A 44 3.531 -27.792 1.391 1.00 3.21 H new ATOM 0 HB3 ASN A 44 4.108 -27.911 3.042 1.00 3.21 H new ATOM 0 HD21 ASN A 44 0.104 -28.209 2.202 1.00 1.00 H new ATOM 0 HD22 ASN A 44 1.289 -27.788 0.961 1.00 1.00 H new ATOM 512 N LEU A 45 2.893 -24.788 4.436 1.00 74.04 N ATOM 513 CA LEU A 45 3.122 -24.284 5.769 1.00 43.40 C ATOM 514 C LEU A 45 2.963 -25.357 6.801 1.00 45.54 C ATOM 515 O LEU A 45 3.682 -25.375 7.780 1.00 1.34 O ATOM 516 CB LEU A 45 2.240 -23.105 6.097 1.00 33.22 C ATOM 517 CG LEU A 45 2.357 -21.903 5.184 1.00 1.25 C ATOM 518 CD1 LEU A 45 1.576 -20.748 5.769 1.00 21.31 C ATOM 519 CD2 LEU A 45 3.813 -21.508 4.952 1.00 53.42 C ATOM 0 H LEU A 45 2.003 -24.525 4.014 1.00 74.04 H new ATOM 0 HA LEU A 45 4.155 -23.938 5.789 1.00 43.40 H new ATOM 0 HB2 LEU A 45 1.203 -23.441 6.088 1.00 33.22 H new ATOM 0 HB3 LEU A 45 2.463 -22.784 7.115 1.00 33.22 H new ATOM 0 HG LEU A 45 1.940 -22.168 4.213 1.00 1.25 H new ATOM 0 HD11 LEU A 45 1.660 -19.882 5.112 1.00 21.31 H new ATOM 0 HD12 LEU A 45 0.528 -21.030 5.866 1.00 21.31 H new ATOM 0 HD13 LEU A 45 1.977 -20.498 6.751 1.00 21.31 H new ATOM 0 HD21 LEU A 45 3.854 -20.642 4.292 1.00 53.42 H new ATOM 0 HD22 LEU A 45 4.279 -21.260 5.906 1.00 53.42 H new ATOM 0 HD23 LEU A 45 4.347 -22.340 4.493 1.00 53.42 H new ATOM 531 N ILE A 46 2.043 -26.266 6.571 1.00 50.25 N ATOM 532 CA ILE A 46 1.824 -27.375 7.511 1.00 63.23 C ATOM 533 C ILE A 46 3.086 -28.240 7.579 1.00 14.31 C ATOM 534 O ILE A 46 3.544 -28.620 8.653 1.00 74.41 O ATOM 535 CB ILE A 46 0.580 -28.238 7.137 1.00 73.14 C ATOM 536 CG1 ILE A 46 -0.690 -27.359 7.142 1.00 32.25 C ATOM 537 CG2 ILE A 46 0.424 -29.419 8.103 1.00 53.34 C ATOM 538 CD1 ILE A 46 -1.978 -28.114 6.846 1.00 11.00 C ATOM 0 H ILE A 46 1.433 -26.272 5.754 1.00 50.25 H new ATOM 0 HA ILE A 46 1.618 -26.947 8.492 1.00 63.23 H new ATOM 0 HB ILE A 46 0.725 -28.642 6.135 1.00 73.14 H new ATOM 0 HG12 ILE A 46 -0.781 -26.878 8.116 1.00 32.25 H new ATOM 0 HG13 ILE A 46 -0.571 -26.565 6.405 1.00 32.25 H new ATOM 0 HG21 ILE A 46 -0.450 -30.006 7.822 1.00 53.34 H new ATOM 0 HG22 ILE A 46 1.313 -30.047 8.056 1.00 53.34 H new ATOM 0 HG23 ILE A 46 0.298 -29.044 9.119 1.00 53.34 H new ATOM 0 HD11 ILE A 46 -2.819 -27.421 6.870 1.00 11.00 H new ATOM 0 HD12 ILE A 46 -1.913 -28.572 5.859 1.00 11.00 H new ATOM 0 HD13 ILE A 46 -2.126 -28.890 7.597 1.00 11.00 H new ATOM 550 N GLN A 47 3.692 -28.432 6.420 1.00 31.31 N ATOM 551 CA GLN A 47 4.944 -29.187 6.286 1.00 42.45 C ATOM 552 C GLN A 47 6.131 -28.389 6.861 1.00 70.01 C ATOM 553 O GLN A 47 7.231 -28.903 7.002 1.00 31.32 O ATOM 554 CB GLN A 47 5.184 -29.522 4.803 1.00 14.43 C ATOM 555 CG GLN A 47 4.125 -30.437 4.174 1.00 2.54 C ATOM 556 CD GLN A 47 4.068 -31.843 4.776 1.00 61.24 C ATOM 557 OE1 GLN A 47 4.355 -32.061 5.935 1.00 11.54 O ATOM 558 NE2 GLN A 47 3.692 -32.805 3.974 1.00 64.24 N ATOM 0 H GLN A 47 3.334 -28.070 5.536 1.00 31.31 H new ATOM 0 HA GLN A 47 4.861 -30.114 6.854 1.00 42.45 H new ATOM 0 HB2 GLN A 47 5.224 -28.592 4.236 1.00 14.43 H new ATOM 0 HB3 GLN A 47 6.160 -29.997 4.705 1.00 14.43 H new ATOM 0 HG2 GLN A 47 3.147 -29.968 4.282 1.00 2.54 H new ATOM 0 HG3 GLN A 47 4.322 -30.520 3.105 1.00 2.54 H new ATOM 0 HE21 GLN A 47 3.456 -32.597 3.004 1.00 64.24 H new ATOM 0 HE22 GLN A 47 3.635 -33.763 4.319 1.00 64.24 H new ATOM 567 N ALA A 48 5.885 -27.126 7.170 1.00 52.35 N ATOM 568 CA ALA A 48 6.884 -26.246 7.741 1.00 62.10 C ATOM 569 C ALA A 48 6.605 -26.018 9.232 1.00 40.22 C ATOM 570 O ALA A 48 7.250 -25.200 9.875 1.00 31.34 O ATOM 571 CB ALA A 48 6.906 -24.920 6.991 1.00 13.24 C ATOM 0 H ALA A 48 4.978 -26.682 7.029 1.00 52.35 H new ATOM 0 HA ALA A 48 7.863 -26.716 7.643 1.00 62.10 H new ATOM 0 HB1 ALA A 48 7.661 -24.267 7.429 1.00 13.24 H new ATOM 0 HB2 ALA A 48 7.145 -25.099 5.943 1.00 13.24 H new ATOM 0 HB3 ALA A 48 5.928 -24.444 7.064 1.00 13.24 H new ATOM 577 N GLY A 49 5.628 -26.739 9.768 1.00 55.52 N ATOM 578 CA GLY A 49 5.345 -26.642 11.186 1.00 62.15 C ATOM 579 C GLY A 49 4.131 -25.791 11.532 1.00 74.05 C ATOM 580 O GLY A 49 3.949 -25.416 12.693 1.00 54.31 O ATOM 0 H GLY A 49 5.031 -27.384 9.250 1.00 55.52 H new ATOM 0 HA2 GLY A 49 5.194 -27.646 11.583 1.00 62.15 H new ATOM 0 HA3 GLY A 49 6.218 -26.228 11.690 1.00 62.15 H new ATOM 584 N LEU A 50 3.309 -25.473 10.555 1.00 23.33 N ATOM 585 CA LEU A 50 2.095 -24.716 10.818 1.00 31.21 C ATOM 586 C LEU A 50 0.969 -25.689 11.076 1.00 43.51 C ATOM 587 O LEU A 50 0.537 -26.404 10.175 1.00 24.33 O ATOM 588 CB LEU A 50 1.712 -23.829 9.631 1.00 64.55 C ATOM 589 CG LEU A 50 0.677 -22.741 9.913 1.00 24.10 C ATOM 590 CD1 LEU A 50 1.342 -21.538 10.535 1.00 11.43 C ATOM 591 CD2 LEU A 50 -0.079 -22.354 8.664 1.00 14.53 C ATOM 0 H LEU A 50 3.454 -25.723 9.577 1.00 23.33 H new ATOM 0 HA LEU A 50 2.272 -24.074 11.681 1.00 31.21 H new ATOM 0 HB2 LEU A 50 2.616 -23.353 9.252 1.00 64.55 H new ATOM 0 HB3 LEU A 50 1.331 -24.468 8.834 1.00 64.55 H new ATOM 0 HG LEU A 50 -0.050 -23.143 10.618 1.00 24.10 H new ATOM 0 HD11 LEU A 50 0.594 -20.770 10.731 1.00 11.43 H new ATOM 0 HD12 LEU A 50 1.818 -21.829 11.472 1.00 11.43 H new ATOM 0 HD13 LEU A 50 2.095 -21.145 9.852 1.00 11.43 H new ATOM 0 HD21 LEU A 50 -0.806 -21.578 8.904 1.00 14.53 H new ATOM 0 HD22 LEU A 50 0.620 -21.977 7.917 1.00 14.53 H new ATOM 0 HD23 LEU A 50 -0.598 -23.227 8.268 1.00 14.53 H new ATOM 603 N ASP A 51 0.538 -25.730 12.296 1.00 22.04 N ATOM 604 CA ASP A 51 -0.564 -26.557 12.727 1.00 44.30 C ATOM 605 C ASP A 51 -1.897 -25.945 12.281 1.00 74.21 C ATOM 606 O ASP A 51 -1.933 -24.888 11.624 1.00 42.03 O ATOM 607 CB ASP A 51 -0.510 -26.708 14.248 1.00 4.52 C ATOM 608 CG ASP A 51 -0.378 -25.372 14.926 1.00 33.31 C ATOM 609 OD1 ASP A 51 0.776 -24.877 15.056 1.00 24.15 O ATOM 610 OD2 ASP A 51 -1.392 -24.775 15.277 1.00 41.04 O ATOM 0 H ASP A 51 0.949 -25.177 13.048 1.00 22.04 H new ATOM 0 HA ASP A 51 -0.484 -27.543 12.270 1.00 44.30 H new ATOM 0 HB2 ASP A 51 -1.413 -27.208 14.598 1.00 4.52 H new ATOM 0 HB3 ASP A 51 0.333 -27.342 14.523 1.00 4.52 H new ATOM 667 N ILE A 53 -4.192 -24.913 14.251 1.00 5.23 N ATOM 668 CA ILE A 53 -4.567 -23.946 15.232 1.00 40.25 C ATOM 669 C ILE A 53 -3.989 -22.631 14.795 1.00 70.31 C ATOM 670 O ILE A 53 -4.682 -21.611 14.765 1.00 4.43 O ATOM 671 CB ILE A 53 -4.075 -24.334 16.648 1.00 51.31 C ATOM 672 CG1 ILE A 53 -4.687 -25.684 17.072 1.00 1.10 C ATOM 673 CG2 ILE A 53 -4.395 -23.243 17.675 1.00 13.22 C ATOM 674 CD1 ILE A 53 -6.214 -25.721 17.080 1.00 31.22 C ATOM 0 HA ILE A 53 -5.653 -23.887 15.304 1.00 40.25 H new ATOM 0 HB ILE A 53 -2.990 -24.436 16.612 1.00 51.31 H new ATOM 0 HG12 ILE A 53 -4.322 -26.460 16.399 1.00 1.10 H new ATOM 0 HG13 ILE A 53 -4.326 -25.933 18.070 1.00 1.10 H new ATOM 0 HG21 ILE A 53 -4.035 -23.551 18.657 1.00 13.22 H new ATOM 0 HG22 ILE A 53 -3.905 -22.314 17.383 1.00 13.22 H new ATOM 0 HG23 ILE A 53 -5.473 -23.087 17.716 1.00 13.22 H new ATOM 0 HD11 ILE A 53 -6.552 -26.709 17.391 1.00 31.22 H new ATOM 0 HD12 ILE A 53 -6.592 -24.972 17.776 1.00 31.22 H new ATOM 0 HD13 ILE A 53 -6.588 -25.507 16.079 1.00 31.22 H new ATOM 686 N ARG A 54 -2.720 -22.668 14.406 1.00 72.53 N ATOM 687 CA ARG A 54 -2.068 -21.552 13.800 1.00 25.43 C ATOM 688 C ARG A 54 -2.778 -21.142 12.538 1.00 24.01 C ATOM 689 O ARG A 54 -2.999 -19.961 12.315 1.00 35.45 O ATOM 690 CB ARG A 54 -0.661 -21.874 13.466 1.00 5.23 C ATOM 691 CG ARG A 54 0.297 -21.776 14.605 1.00 25.24 C ATOM 692 CD ARG A 54 1.639 -21.954 14.026 1.00 12.52 C ATOM 693 NE ARG A 54 2.774 -21.727 14.925 1.00 31.22 N ATOM 694 CZ ARG A 54 3.643 -22.691 15.257 1.00 34.40 C ATOM 695 NH1 ARG A 54 3.236 -23.961 15.299 1.00 32.42 N ATOM 696 NH2 ARG A 54 4.887 -22.378 15.641 1.00 21.25 N ATOM 0 H ARG A 54 -2.124 -23.489 14.511 1.00 72.53 H new ATOM 0 HA ARG A 54 -2.092 -20.734 14.520 1.00 25.43 H new ATOM 0 HB2 ARG A 54 -0.622 -22.886 13.064 1.00 5.23 H new ATOM 0 HB3 ARG A 54 -0.329 -21.203 12.673 1.00 5.23 H new ATOM 0 HG2 ARG A 54 0.212 -20.810 15.103 1.00 25.24 H new ATOM 0 HG3 ARG A 54 0.091 -22.540 15.354 1.00 25.24 H new ATOM 0 HD2 ARG A 54 1.710 -22.969 13.636 1.00 12.52 H new ATOM 0 HD3 ARG A 54 1.736 -21.278 13.176 1.00 12.52 H new ATOM 0 HE ARG A 54 2.908 -20.794 15.315 1.00 31.22 H new ATOM 0 HH11 ARG A 54 2.268 -24.194 15.079 1.00 32.42 H new ATOM 0 HH12 ARG A 54 3.893 -24.699 15.551 1.00 32.42 H new ATOM 0 HH21 ARG A 54 5.178 -21.401 15.682 1.00 21.25 H new ATOM 0 HH22 ARG A 54 5.544 -23.116 15.893 1.00 21.25 H new ATOM 710 N LEU A 55 -3.153 -22.138 11.729 1.00 40.21 N ATOM 711 CA LEU A 55 -3.878 -21.929 10.464 1.00 12.33 C ATOM 712 C LEU A 55 -5.158 -21.127 10.755 1.00 65.32 C ATOM 713 O LEU A 55 -5.402 -20.084 10.146 1.00 10.24 O ATOM 714 CB LEU A 55 -4.237 -23.319 9.854 1.00 51.23 C ATOM 715 CG LEU A 55 -4.586 -23.436 8.337 1.00 13.41 C ATOM 716 CD1 LEU A 55 -5.711 -22.534 7.899 1.00 4.32 C ATOM 717 CD2 LEU A 55 -3.377 -23.213 7.484 1.00 44.11 C ATOM 0 H LEU A 55 -2.963 -23.119 11.932 1.00 40.21 H new ATOM 0 HA LEU A 55 -3.262 -21.376 9.754 1.00 12.33 H new ATOM 0 HB2 LEU A 55 -3.396 -23.985 10.046 1.00 51.23 H new ATOM 0 HB3 LEU A 55 -5.087 -23.710 10.414 1.00 51.23 H new ATOM 0 HG LEU A 55 -4.940 -24.458 8.199 1.00 13.41 H new ATOM 0 HD11 LEU A 55 -5.895 -22.672 6.834 1.00 4.32 H new ATOM 0 HD12 LEU A 55 -6.614 -22.781 8.458 1.00 4.32 H new ATOM 0 HD13 LEU A 55 -5.440 -21.495 8.088 1.00 4.32 H new ATOM 0 HD21 LEU A 55 -3.652 -23.301 6.433 1.00 44.11 H new ATOM 0 HD22 LEU A 55 -2.978 -22.216 7.672 1.00 44.11 H new ATOM 0 HD23 LEU A 55 -2.619 -23.959 7.724 1.00 44.11 H new ATOM 729 N MET A 56 -5.949 -21.594 11.713 1.00 43.24 N ATOM 730 CA MET A 56 -7.192 -20.911 12.049 1.00 5.43 C ATOM 731 C MET A 56 -6.927 -19.562 12.672 1.00 2.31 C ATOM 732 O MET A 56 -7.640 -18.608 12.411 1.00 34.50 O ATOM 733 CB MET A 56 -8.057 -21.721 12.981 1.00 50.44 C ATOM 734 CG MET A 56 -9.365 -21.009 13.333 1.00 51.41 C ATOM 735 SD MET A 56 -9.990 -21.480 14.925 1.00 14.15 S ATOM 736 CE MET A 56 -8.566 -21.004 15.897 1.00 73.34 C ATOM 0 H MET A 56 -5.756 -22.430 12.264 1.00 43.24 H new ATOM 0 HA MET A 56 -7.726 -20.779 11.108 1.00 5.43 H new ATOM 0 HB2 MET A 56 -8.283 -22.682 12.519 1.00 50.44 H new ATOM 0 HB3 MET A 56 -7.503 -21.930 13.896 1.00 50.44 H new ATOM 0 HG2 MET A 56 -9.204 -19.931 13.314 1.00 51.41 H new ATOM 0 HG3 MET A 56 -10.113 -21.233 12.572 1.00 51.41 H new ATOM 0 HE1 MET A 56 -8.896 -20.625 16.864 1.00 73.34 H new ATOM 0 HE2 MET A 56 -7.922 -21.871 16.048 1.00 73.34 H new ATOM 0 HE3 MET A 56 -8.011 -20.226 15.372 1.00 73.34 H new ATOM 746 N ARG A 57 -5.910 -19.492 13.501 1.00 24.33 N ATOM 747 CA ARG A 57 -5.514 -18.263 14.129 1.00 13.40 C ATOM 748 C ARG A 57 -5.189 -17.209 13.061 1.00 44.44 C ATOM 749 O ARG A 57 -5.464 -16.023 13.224 1.00 22.24 O ATOM 750 CB ARG A 57 -4.292 -18.502 14.896 1.00 43.42 C ATOM 751 CG ARG A 57 -3.852 -17.323 15.696 1.00 74.22 C ATOM 752 CD ARG A 57 -2.523 -17.614 16.216 1.00 72.34 C ATOM 753 NE ARG A 57 -1.550 -17.718 15.109 1.00 75.23 N ATOM 754 CZ ARG A 57 -0.268 -18.083 15.200 1.00 23.52 C ATOM 755 NH1 ARG A 57 0.268 -18.442 16.359 1.00 20.30 N ATOM 756 NH2 ARG A 57 0.478 -18.112 14.117 1.00 30.52 N ATOM 0 H ARG A 57 -5.334 -20.294 13.757 1.00 24.33 H new ATOM 0 HA ARG A 57 -6.325 -17.913 14.768 1.00 13.40 H new ATOM 0 HB2 ARG A 57 -4.452 -19.346 15.566 1.00 43.42 H new ATOM 0 HB3 ARG A 57 -3.492 -18.786 14.212 1.00 43.42 H new ATOM 0 HG2 ARG A 57 -3.833 -16.426 15.077 1.00 74.22 H new ATOM 0 HG3 ARG A 57 -4.549 -17.132 16.512 1.00 74.22 H new ATOM 0 HD2 ARG A 57 -2.216 -16.829 16.907 1.00 72.34 H new ATOM 0 HD3 ARG A 57 -2.542 -18.546 16.781 1.00 72.34 H new ATOM 0 HE ARG A 57 -1.893 -17.487 14.177 1.00 75.23 H new ATOM 0 HH11 ARG A 57 -0.301 -18.443 17.205 1.00 20.30 H new ATOM 0 HH12 ARG A 57 1.249 -18.717 16.404 1.00 20.30 H new ATOM 0 HH21 ARG A 57 0.077 -17.857 13.215 1.00 30.52 H new ATOM 0 HH22 ARG A 57 1.457 -18.390 14.180 1.00 30.52 H new ATOM 770 N TRP A 58 -4.567 -17.673 11.982 1.00 14.22 N ATOM 771 CA TRP A 58 -4.256 -16.842 10.842 1.00 35.15 C ATOM 772 C TRP A 58 -5.510 -16.426 10.120 1.00 41.15 C ATOM 773 O TRP A 58 -5.661 -15.266 9.772 1.00 22.44 O ATOM 774 CB TRP A 58 -3.272 -17.530 9.891 1.00 53.12 C ATOM 775 CG TRP A 58 -1.853 -17.490 10.359 1.00 74.11 C ATOM 776 CD1 TRP A 58 -1.013 -18.546 10.513 1.00 13.32 C ATOM 777 CD2 TRP A 58 -1.108 -16.320 10.737 1.00 20.21 C ATOM 778 NE1 TRP A 58 0.210 -18.110 10.964 1.00 12.10 N ATOM 779 CE2 TRP A 58 0.178 -16.742 11.097 1.00 13.33 C ATOM 780 CE3 TRP A 58 -1.408 -14.953 10.796 1.00 2.42 C ATOM 781 CZ2 TRP A 58 1.168 -15.848 11.511 1.00 63.01 C ATOM 782 CZ3 TRP A 58 -0.430 -14.073 11.202 1.00 54.53 C ATOM 783 CH2 TRP A 58 0.842 -14.523 11.553 1.00 1.45 C ATOM 0 H TRP A 58 -4.266 -18.642 11.881 1.00 14.22 H new ATOM 0 HA TRP A 58 -3.768 -15.942 11.216 1.00 35.15 H new ATOM 0 HB2 TRP A 58 -3.573 -18.570 9.761 1.00 53.12 H new ATOM 0 HB3 TRP A 58 -3.335 -17.055 8.912 1.00 53.12 H new ATOM 0 HD1 TRP A 58 -1.268 -19.576 10.311 1.00 13.32 H new ATOM 0 HE1 TRP A 58 1.013 -18.706 11.167 1.00 12.10 H new ATOM 0 HE3 TRP A 58 -2.391 -14.595 10.527 1.00 2.42 H new ATOM 0 HZ2 TRP A 58 2.154 -16.192 11.787 1.00 63.01 H new ATOM 0 HZ3 TRP A 58 -0.652 -13.017 11.249 1.00 54.53 H new ATOM 0 HH2 TRP A 58 1.587 -13.806 11.866 1.00 1.45 H new ATOM 794 N LEU A 59 -6.421 -17.375 9.929 1.00 63.33 N ATOM 795 CA LEU A 59 -7.720 -17.103 9.311 1.00 31.04 C ATOM 796 C LEU A 59 -8.423 -16.019 10.128 1.00 31.02 C ATOM 797 O LEU A 59 -8.987 -15.080 9.583 1.00 43.13 O ATOM 798 CB LEU A 59 -8.558 -18.412 9.254 1.00 22.23 C ATOM 799 CG LEU A 59 -9.855 -18.423 8.400 1.00 32.34 C ATOM 800 CD1 LEU A 59 -10.971 -17.596 9.007 1.00 25.52 C ATOM 801 CD2 LEU A 59 -9.557 -17.942 7.000 1.00 74.03 C ATOM 0 H LEU A 59 -6.284 -18.350 10.196 1.00 63.33 H new ATOM 0 HA LEU A 59 -7.596 -16.749 8.288 1.00 31.04 H new ATOM 0 HB2 LEU A 59 -7.909 -19.205 8.882 1.00 22.23 H new ATOM 0 HB3 LEU A 59 -8.831 -18.676 10.276 1.00 22.23 H new ATOM 0 HG LEU A 59 -10.206 -19.455 8.373 1.00 32.34 H new ATOM 0 HD11 LEU A 59 -11.850 -17.643 8.364 1.00 25.52 H new ATOM 0 HD12 LEU A 59 -11.221 -17.989 9.992 1.00 25.52 H new ATOM 0 HD13 LEU A 59 -10.646 -16.560 9.101 1.00 25.52 H new ATOM 0 HD21 LEU A 59 -10.473 -17.953 6.409 1.00 74.03 H new ATOM 0 HD22 LEU A 59 -9.164 -16.926 7.040 1.00 74.03 H new ATOM 0 HD23 LEU A 59 -8.819 -18.599 6.539 1.00 74.03 H new ATOM 813 N HIS A 60 -8.343 -16.166 11.433 1.00 22.21 N ATOM 814 CA HIS A 60 -8.849 -15.209 12.402 1.00 71.30 C ATOM 815 C HIS A 60 -8.215 -13.826 12.171 1.00 51.52 C ATOM 816 O HIS A 60 -8.912 -12.826 12.152 1.00 63.20 O ATOM 817 CB HIS A 60 -8.527 -15.734 13.822 1.00 11.43 C ATOM 818 CG HIS A 60 -8.699 -14.749 14.939 1.00 54.23 C ATOM 819 ND1 HIS A 60 -7.655 -14.064 15.524 1.00 60.35 N ATOM 820 CD2 HIS A 60 -9.803 -14.351 15.569 1.00 32.21 C ATOM 821 CE1 HIS A 60 -8.165 -13.283 16.479 1.00 14.32 C ATOM 822 NE2 HIS A 60 -9.470 -13.417 16.547 1.00 65.11 N ATOM 0 H HIS A 60 -7.910 -16.981 11.866 1.00 22.21 H new ATOM 0 HA HIS A 60 -9.928 -15.099 12.290 1.00 71.30 H new ATOM 0 HB2 HIS A 60 -9.163 -16.596 14.023 1.00 11.43 H new ATOM 0 HB3 HIS A 60 -7.497 -16.089 13.832 1.00 11.43 H new ATOM 0 HD2 HIS A 60 -10.803 -14.699 15.354 1.00 32.21 H new ATOM 0 HE1 HIS A 60 -7.583 -12.629 17.111 1.00 14.32 H new ATOM 0 HE2 HIS A 60 -10.107 -12.937 17.183 1.00 65.11 H new ATOM 830 N TRP A 61 -6.902 -13.798 11.992 1.00 1.31 N ATOM 831 CA TRP A 61 -6.170 -12.564 11.735 1.00 3.34 C ATOM 832 C TRP A 61 -6.693 -11.903 10.463 1.00 74.15 C ATOM 833 O TRP A 61 -6.977 -10.709 10.461 1.00 74.22 O ATOM 834 CB TRP A 61 -4.657 -12.850 11.657 1.00 1.40 C ATOM 835 CG TRP A 61 -3.780 -11.665 11.326 1.00 0.53 C ATOM 836 CD1 TRP A 61 -3.488 -10.594 12.125 1.00 71.34 C ATOM 837 CD2 TRP A 61 -3.045 -11.466 10.112 1.00 3.20 C ATOM 838 NE1 TRP A 61 -2.628 -9.737 11.468 1.00 61.54 N ATOM 839 CE2 TRP A 61 -2.343 -10.255 10.235 1.00 70.41 C ATOM 840 CE3 TRP A 61 -2.917 -12.194 8.933 1.00 72.41 C ATOM 841 CZ2 TRP A 61 -1.525 -9.761 9.222 1.00 63.14 C ATOM 842 CZ3 TRP A 61 -2.104 -11.700 7.936 1.00 4.12 C ATOM 843 CH2 TRP A 61 -1.420 -10.498 8.087 1.00 64.55 C ATOM 0 H TRP A 61 -6.313 -14.630 12.021 1.00 1.31 H new ATOM 0 HA TRP A 61 -6.329 -11.867 12.558 1.00 3.34 H new ATOM 0 HB2 TRP A 61 -4.334 -13.261 12.614 1.00 1.40 H new ATOM 0 HB3 TRP A 61 -4.491 -13.622 10.906 1.00 1.40 H new ATOM 0 HD1 TRP A 61 -3.873 -10.441 13.122 1.00 71.34 H new ATOM 0 HE1 TRP A 61 -2.264 -8.860 11.841 1.00 61.54 H new ATOM 0 HE3 TRP A 61 -3.444 -13.127 8.802 1.00 72.41 H new ATOM 0 HZ2 TRP A 61 -0.994 -8.827 9.335 1.00 63.14 H new ATOM 0 HZ3 TRP A 61 -1.995 -12.258 7.018 1.00 4.12 H new ATOM 0 HH2 TRP A 61 -0.792 -10.143 7.283 1.00 64.55 H new ATOM 854 N PHE A 62 -6.874 -12.702 9.414 1.00 43.33 N ATOM 855 CA PHE A 62 -7.428 -12.214 8.157 1.00 45.25 C ATOM 856 C PHE A 62 -8.858 -11.719 8.361 1.00 55.11 C ATOM 857 O PHE A 62 -9.220 -10.637 7.915 1.00 70.34 O ATOM 858 CB PHE A 62 -7.407 -13.301 7.067 1.00 15.31 C ATOM 859 CG PHE A 62 -6.037 -13.714 6.625 1.00 24.15 C ATOM 860 CD1 PHE A 62 -5.206 -12.813 6.010 1.00 44.12 C ATOM 861 CD2 PHE A 62 -5.590 -15.005 6.813 1.00 21.42 C ATOM 862 CE1 PHE A 62 -3.951 -13.193 5.593 1.00 64.12 C ATOM 863 CE2 PHE A 62 -4.335 -15.388 6.400 1.00 13.34 C ATOM 864 CZ PHE A 62 -3.514 -14.481 5.789 1.00 12.02 C ATOM 0 H PHE A 62 -6.643 -13.696 9.412 1.00 43.33 H new ATOM 0 HA PHE A 62 -6.801 -11.387 7.825 1.00 45.25 H new ATOM 0 HB2 PHE A 62 -7.935 -14.179 7.438 1.00 15.31 H new ATOM 0 HB3 PHE A 62 -7.960 -12.939 6.200 1.00 15.31 H new ATOM 0 HD1 PHE A 62 -5.539 -11.798 5.852 1.00 44.12 H new ATOM 0 HD2 PHE A 62 -6.235 -15.727 7.292 1.00 21.42 H new ATOM 0 HE1 PHE A 62 -3.306 -12.475 5.109 1.00 64.12 H new ATOM 0 HE2 PHE A 62 -3.999 -16.402 6.558 1.00 13.34 H new ATOM 0 HZ PHE A 62 -2.528 -14.775 5.462 1.00 12.02 H new ATOM 874 N ARG A 63 -9.649 -12.511 9.054 1.00 15.30 N ATOM 875 CA ARG A 63 -11.043 -12.201 9.375 1.00 74.04 C ATOM 876 C ARG A 63 -11.131 -10.861 10.103 1.00 53.23 C ATOM 877 O ARG A 63 -11.965 -10.012 9.793 1.00 41.30 O ATOM 878 CB ARG A 63 -11.598 -13.313 10.278 1.00 32.23 C ATOM 879 CG ARG A 63 -13.049 -13.160 10.735 1.00 73.50 C ATOM 880 CD ARG A 63 -14.054 -13.372 9.607 1.00 22.40 C ATOM 881 NE ARG A 63 -14.026 -12.310 8.570 1.00 25.21 N ATOM 882 CZ ARG A 63 -14.879 -11.268 8.485 1.00 12.03 C ATOM 883 NH1 ARG A 63 -15.850 -11.108 9.393 1.00 12.54 N ATOM 884 NH2 ARG A 63 -14.752 -10.394 7.484 1.00 10.52 N ATOM 0 H ARG A 63 -9.342 -13.411 9.422 1.00 15.30 H new ATOM 0 HA ARG A 63 -11.624 -12.137 8.455 1.00 74.04 H new ATOM 0 HB2 ARG A 63 -11.505 -14.261 9.748 1.00 32.23 H new ATOM 0 HB3 ARG A 63 -10.967 -13.380 11.164 1.00 32.23 H new ATOM 0 HG2 ARG A 63 -13.250 -13.875 11.533 1.00 73.50 H new ATOM 0 HG3 ARG A 63 -13.189 -12.164 11.156 1.00 73.50 H new ATOM 0 HD2 ARG A 63 -13.857 -14.334 9.134 1.00 22.40 H new ATOM 0 HD3 ARG A 63 -15.056 -13.425 10.032 1.00 22.40 H new ATOM 0 HE ARG A 63 -13.298 -12.374 7.859 1.00 25.21 H new ATOM 0 HH11 ARG A 63 -15.949 -11.777 10.157 1.00 12.54 H new ATOM 0 HH12 ARG A 63 -16.490 -10.317 9.321 1.00 12.54 H new ATOM 0 HH21 ARG A 63 -14.014 -10.517 6.790 1.00 10.52 H new ATOM 0 HH22 ARG A 63 -15.393 -9.604 7.413 1.00 10.52 H new ATOM 898 N LYS A 64 -10.224 -10.683 11.023 1.00 65.02 N ATOM 899 CA LYS A 64 -10.123 -9.508 11.854 1.00 44.54 C ATOM 900 C LYS A 64 -9.475 -8.326 11.068 1.00 20.04 C ATOM 901 O LYS A 64 -9.302 -7.222 11.600 1.00 24.31 O ATOM 902 CB LYS A 64 -9.263 -9.874 13.048 1.00 41.33 C ATOM 903 CG LYS A 64 -9.163 -8.817 14.120 1.00 63.43 C ATOM 904 CD LYS A 64 -7.861 -8.947 14.870 1.00 63.10 C ATOM 905 CE LYS A 64 -6.665 -8.753 13.912 1.00 25.34 C ATOM 906 NZ LYS A 64 -6.812 -7.527 13.059 1.00 41.10 N ATOM 0 H LYS A 64 -9.505 -11.378 11.225 1.00 65.02 H new ATOM 0 HA LYS A 64 -11.114 -9.184 12.171 1.00 44.54 H new ATOM 0 HB2 LYS A 64 -9.661 -10.785 13.495 1.00 41.33 H new ATOM 0 HB3 LYS A 64 -8.258 -10.105 12.694 1.00 41.33 H new ATOM 0 HG2 LYS A 64 -9.233 -7.827 13.670 1.00 63.43 H new ATOM 0 HG3 LYS A 64 -9.999 -8.913 14.812 1.00 63.43 H new ATOM 0 HD2 LYS A 64 -7.819 -8.207 15.669 1.00 63.10 H new ATOM 0 HD3 LYS A 64 -7.802 -9.928 15.341 1.00 63.10 H new ATOM 0 HE2 LYS A 64 -5.745 -8.681 14.493 1.00 25.34 H new ATOM 0 HE3 LYS A 64 -6.570 -9.630 13.271 1.00 25.34 H new ATOM 0 HZ1 LYS A 64 -6.901 -7.807 12.061 1.00 41.10 H new ATOM 0 HZ2 LYS A 64 -7.662 -7.003 13.348 1.00 41.10 H new ATOM 0 HZ3 LYS A 64 -5.975 -6.921 13.175 1.00 41.10 H new ATOM 920 N ASN A 65 -9.038 -8.595 9.860 1.00 50.14 N ATOM 921 CA ASN A 65 -8.520 -7.558 8.959 1.00 52.03 C ATOM 922 C ASN A 65 -9.550 -7.277 7.877 1.00 13.42 C ATOM 923 O ASN A 65 -9.307 -6.534 6.939 1.00 3.41 O ATOM 924 CB ASN A 65 -7.141 -7.932 8.334 1.00 63.40 C ATOM 925 CG ASN A 65 -5.941 -7.730 9.279 1.00 54.52 C ATOM 926 OD1 ASN A 65 -6.060 -7.815 10.519 1.00 62.15 O ATOM 927 ND2 ASN A 65 -4.785 -7.450 8.726 1.00 43.04 N ATOM 0 H ASN A 65 -9.026 -9.534 9.462 1.00 50.14 H new ATOM 0 HA ASN A 65 -8.347 -6.658 9.549 1.00 52.03 H new ATOM 0 HB2 ASN A 65 -7.169 -8.975 8.019 1.00 63.40 H new ATOM 0 HB3 ASN A 65 -6.987 -7.332 7.437 1.00 63.40 H new ATOM 0 HD21 ASN A 65 -3.963 -7.297 9.311 1.00 43.04 H new ATOM 0 HD22 ASN A 65 -4.708 -7.385 7.711 1.00 43.04 H new ATOM 934 N GLY A 66 -10.717 -7.898 8.022 1.00 60.43 N ATOM 935 CA GLY A 66 -11.812 -7.643 7.124 1.00 52.01 C ATOM 936 C GLY A 66 -12.029 -8.735 6.101 1.00 63.35 C ATOM 937 O GLY A 66 -13.101 -8.807 5.497 1.00 35.04 O ATOM 0 H GLY A 66 -10.917 -8.578 8.755 1.00 60.43 H new ATOM 0 HA2 GLY A 66 -12.725 -7.516 7.706 1.00 52.01 H new ATOM 0 HA3 GLY A 66 -11.632 -6.702 6.604 1.00 52.01 H new ATOM 941 N TYR A 67 -11.059 -9.623 5.951 1.00 43.24 N ATOM 942 CA TYR A 67 -11.093 -10.666 4.914 1.00 54.20 C ATOM 943 C TYR A 67 -12.289 -11.558 4.977 1.00 24.44 C ATOM 944 O TYR A 67 -12.812 -11.881 6.056 1.00 51.30 O ATOM 945 CB TYR A 67 -9.895 -11.576 4.994 1.00 11.53 C ATOM 946 CG TYR A 67 -8.628 -11.042 4.443 1.00 63.15 C ATOM 947 CD1 TYR A 67 -7.891 -10.092 5.117 1.00 72.33 C ATOM 948 CD2 TYR A 67 -8.138 -11.536 3.255 1.00 21.14 C ATOM 949 CE1 TYR A 67 -6.706 -9.652 4.622 1.00 63.21 C ATOM 950 CE2 TYR A 67 -6.961 -11.097 2.748 1.00 2.15 C ATOM 951 CZ TYR A 67 -6.249 -10.154 3.437 1.00 62.43 C ATOM 952 OH TYR A 67 -5.071 -9.743 2.957 1.00 31.52 O ATOM 0 H TYR A 67 -10.225 -9.649 6.538 1.00 43.24 H new ATOM 0 HA TYR A 67 -11.113 -10.095 3.986 1.00 54.20 H new ATOM 0 HB2 TYR A 67 -9.731 -11.835 6.040 1.00 11.53 H new ATOM 0 HB3 TYR A 67 -10.133 -12.502 4.470 1.00 11.53 H new ATOM 0 HD1 TYR A 67 -8.261 -9.693 6.050 1.00 72.33 H new ATOM 0 HD2 TYR A 67 -8.701 -12.286 2.719 1.00 21.14 H new ATOM 0 HE1 TYR A 67 -6.131 -8.913 5.160 1.00 63.21 H new ATOM 0 HE2 TYR A 67 -6.590 -11.487 1.812 1.00 2.15 H new ATOM 0 HH TYR A 67 -4.748 -8.985 3.488 1.00 31.52 H new ATOM 962 N ARG A 68 -12.707 -11.951 3.824 1.00 52.32 N ATOM 963 CA ARG A 68 -13.708 -12.937 3.657 1.00 72.14 C ATOM 964 C ARG A 68 -13.029 -14.182 3.140 1.00 74.40 C ATOM 965 O ARG A 68 -12.707 -14.281 1.975 1.00 61.21 O ATOM 966 CB ARG A 68 -14.793 -12.461 2.708 1.00 22.32 C ATOM 967 CG ARG A 68 -15.817 -11.541 3.314 1.00 53.43 C ATOM 968 CD ARG A 68 -16.768 -11.022 2.247 1.00 71.10 C ATOM 969 NE ARG A 68 -17.325 -12.099 1.399 1.00 43.43 N ATOM 970 CZ ARG A 68 -18.325 -11.954 0.514 1.00 43.14 C ATOM 971 NH1 ARG A 68 -18.714 -10.737 0.140 1.00 65.55 N ATOM 972 NH2 ARG A 68 -18.790 -13.021 -0.134 1.00 44.42 N ATOM 0 H ARG A 68 -12.347 -11.580 2.945 1.00 52.32 H new ATOM 0 HA ARG A 68 -14.202 -13.144 4.606 1.00 72.14 H new ATOM 0 HB2 ARG A 68 -14.321 -11.950 1.869 1.00 22.32 H new ATOM 0 HB3 ARG A 68 -15.306 -13.333 2.302 1.00 22.32 H new ATOM 0 HG2 ARG A 68 -16.379 -12.070 4.084 1.00 53.43 H new ATOM 0 HG3 ARG A 68 -15.318 -10.704 3.802 1.00 53.43 H new ATOM 0 HD2 ARG A 68 -17.586 -10.485 2.727 1.00 71.10 H new ATOM 0 HD3 ARG A 68 -16.242 -10.305 1.616 1.00 71.10 H new ATOM 0 HE ARG A 68 -16.916 -13.028 1.494 1.00 43.43 H new ATOM 0 HH11 ARG A 68 -18.253 -9.913 0.526 1.00 65.55 H new ATOM 0 HH12 ARG A 68 -19.473 -10.628 -0.532 1.00 65.55 H new ATOM 0 HH21 ARG A 68 -18.387 -13.941 0.043 1.00 44.42 H new ATOM 0 HH22 ARG A 68 -19.549 -12.918 -0.807 1.00 44.42 H new ATOM 986 N LEU A 69 -12.716 -15.056 4.049 1.00 40.10 N ATOM 987 CA LEU A 69 -12.058 -16.309 3.777 1.00 51.04 C ATOM 988 C LEU A 69 -12.601 -17.289 4.771 1.00 74.33 C ATOM 989 O LEU A 69 -12.923 -16.890 5.900 1.00 21.33 O ATOM 990 CB LEU A 69 -10.526 -16.190 4.018 1.00 2.42 C ATOM 991 CG LEU A 69 -9.701 -15.294 3.081 1.00 64.21 C ATOM 992 CD1 LEU A 69 -8.305 -15.096 3.650 1.00 0.02 C ATOM 993 CD2 LEU A 69 -9.583 -15.932 1.713 1.00 3.24 C ATOM 0 H LEU A 69 -12.917 -14.915 5.039 1.00 40.10 H new ATOM 0 HA LEU A 69 -12.228 -16.608 2.743 1.00 51.04 H new ATOM 0 HB2 LEU A 69 -10.378 -15.829 5.036 1.00 2.42 H new ATOM 0 HB3 LEU A 69 -10.105 -17.194 3.971 1.00 2.42 H new ATOM 0 HG LEU A 69 -10.206 -14.332 2.992 1.00 64.21 H new ATOM 0 HD11 LEU A 69 -7.726 -14.460 2.980 1.00 0.02 H new ATOM 0 HD12 LEU A 69 -8.375 -14.623 4.630 1.00 0.02 H new ATOM 0 HD13 LEU A 69 -7.812 -16.063 3.748 1.00 0.02 H new ATOM 0 HD21 LEU A 69 -8.996 -15.286 1.060 1.00 3.24 H new ATOM 0 HD22 LEU A 69 -9.090 -16.900 1.804 1.00 3.24 H new ATOM 0 HD23 LEU A 69 -10.578 -16.070 1.289 1.00 3.24 H new ATOM 1005 N THR A 70 -12.761 -18.520 4.389 1.00 45.30 N ATOM 1006 CA THR A 70 -13.140 -19.507 5.342 1.00 22.44 C ATOM 1007 C THR A 70 -11.896 -20.314 5.635 1.00 45.31 C ATOM 1008 O THR A 70 -10.937 -20.266 4.838 1.00 34.04 O ATOM 1009 CB THR A 70 -14.297 -20.428 4.847 1.00 23.22 C ATOM 1010 OG1 THR A 70 -13.878 -21.236 3.751 1.00 62.14 O ATOM 1011 CG2 THR A 70 -15.501 -19.602 4.418 1.00 41.42 C ATOM 0 H THR A 70 -12.636 -18.858 3.435 1.00 45.30 H new ATOM 0 HA THR A 70 -13.531 -19.021 6.236 1.00 22.44 H new ATOM 0 HB THR A 70 -14.575 -21.072 5.681 1.00 23.22 H new ATOM 0 HG1 THR A 70 -14.621 -21.805 3.461 1.00 62.14 H new ATOM 0 HG21 THR A 70 -16.295 -20.266 4.077 1.00 41.42 H new ATOM 0 HG22 THR A 70 -15.858 -19.014 5.263 1.00 41.42 H new ATOM 0 HG23 THR A 70 -15.213 -18.934 3.606 1.00 41.42 H new ATOM 1019 N LEU A 71 -11.876 -21.031 6.756 1.00 34.33 N ATOM 1020 CA LEU A 71 -10.698 -21.807 7.152 1.00 73.21 C ATOM 1021 C LEU A 71 -10.289 -22.754 6.043 1.00 54.44 C ATOM 1022 O LEU A 71 -9.121 -22.860 5.715 1.00 44.25 O ATOM 1023 CB LEU A 71 -10.977 -22.616 8.428 1.00 45.41 C ATOM 1024 CG LEU A 71 -9.762 -23.231 9.103 1.00 42.11 C ATOM 1025 CD1 LEU A 71 -8.784 -22.153 9.459 1.00 30.41 C ATOM 1026 CD2 LEU A 71 -10.165 -23.953 10.357 1.00 23.40 C ATOM 0 H LEU A 71 -12.659 -21.092 7.407 1.00 34.33 H new ATOM 0 HA LEU A 71 -9.889 -21.103 7.347 1.00 73.21 H new ATOM 0 HB2 LEU A 71 -11.477 -21.965 9.146 1.00 45.41 H new ATOM 0 HB3 LEU A 71 -11.676 -23.416 8.182 1.00 45.41 H new ATOM 0 HG LEU A 71 -9.305 -23.939 8.412 1.00 42.11 H new ATOM 0 HD11 LEU A 71 -7.914 -22.597 9.943 1.00 30.41 H new ATOM 0 HD12 LEU A 71 -8.470 -21.633 8.554 1.00 30.41 H new ATOM 0 HD13 LEU A 71 -9.256 -21.444 10.140 1.00 30.41 H new ATOM 0 HD21 LEU A 71 -9.282 -24.387 10.827 1.00 23.40 H new ATOM 0 HD22 LEU A 71 -10.635 -23.251 11.046 1.00 23.40 H new ATOM 0 HD23 LEU A 71 -10.871 -24.746 10.110 1.00 23.40 H new ATOM 1038 N ARG A 72 -11.297 -23.345 5.436 1.00 74.43 N ATOM 1039 CA ARG A 72 -11.181 -24.358 4.406 1.00 1.33 C ATOM 1040 C ARG A 72 -10.178 -23.984 3.285 1.00 65.30 C ATOM 1041 O ARG A 72 -9.328 -24.791 2.947 1.00 44.41 O ATOM 1042 CB ARG A 72 -12.547 -24.554 3.795 1.00 73.32 C ATOM 1043 CG ARG A 72 -12.603 -25.533 2.641 1.00 61.44 C ATOM 1044 CD ARG A 72 -13.958 -25.465 1.990 1.00 70.21 C ATOM 1045 NE ARG A 72 -14.233 -24.104 1.495 1.00 63.33 N ATOM 1046 CZ ARG A 72 -15.383 -23.640 1.018 1.00 45.34 C ATOM 1047 NH1 ARG A 72 -16.456 -24.439 0.900 1.00 34.21 N ATOM 1048 NH2 ARG A 72 -15.445 -22.366 0.658 1.00 1.42 N ATOM 0 H ARG A 72 -12.267 -23.121 5.658 1.00 74.43 H new ATOM 0 HA ARG A 72 -10.802 -25.267 4.874 1.00 1.33 H new ATOM 0 HB2 ARG A 72 -13.230 -24.895 4.573 1.00 73.32 H new ATOM 0 HB3 ARG A 72 -12.915 -23.588 3.449 1.00 73.32 H new ATOM 0 HG2 ARG A 72 -11.826 -25.298 1.913 1.00 61.44 H new ATOM 0 HG3 ARG A 72 -12.410 -26.544 2.999 1.00 61.44 H new ATOM 0 HD2 ARG A 72 -14.005 -26.174 1.163 1.00 70.21 H new ATOM 0 HD3 ARG A 72 -14.726 -25.758 2.706 1.00 70.21 H new ATOM 0 HE ARG A 72 -13.454 -23.446 1.522 1.00 63.33 H new ATOM 0 HH11 ARG A 72 -16.396 -25.418 1.179 1.00 34.21 H new ATOM 0 HH12 ARG A 72 -17.331 -24.066 0.532 1.00 34.21 H new ATOM 0 HH21 ARG A 72 -14.623 -21.769 0.750 1.00 1.42 H new ATOM 0 HH22 ARG A 72 -16.315 -21.982 0.288 1.00 1.42 H new ATOM 1062 N GLU A 73 -10.288 -22.758 2.734 1.00 41.31 N ATOM 1063 CA GLU A 73 -9.432 -22.327 1.601 1.00 50.31 C ATOM 1064 C GLU A 73 -7.939 -22.474 1.897 1.00 4.43 C ATOM 1065 O GLU A 73 -7.208 -23.162 1.177 1.00 44.22 O ATOM 1066 CB GLU A 73 -9.701 -20.863 1.159 1.00 40.23 C ATOM 1067 CG GLU A 73 -10.999 -20.596 0.390 1.00 22.34 C ATOM 1068 CD GLU A 73 -12.246 -20.698 1.213 1.00 31.30 C ATOM 1069 OE1 GLU A 73 -12.645 -19.683 1.849 1.00 23.13 O ATOM 1070 OE2 GLU A 73 -12.866 -21.761 1.232 1.00 23.11 O ATOM 0 H GLU A 73 -10.953 -22.052 3.049 1.00 41.31 H new ATOM 0 HA GLU A 73 -9.706 -23.000 0.788 1.00 50.31 H new ATOM 0 HB2 GLU A 73 -9.700 -20.235 2.050 1.00 40.23 H new ATOM 0 HB3 GLU A 73 -8.866 -20.538 0.538 1.00 40.23 H new ATOM 0 HG2 GLU A 73 -10.948 -19.598 -0.046 1.00 22.34 H new ATOM 0 HG3 GLU A 73 -11.067 -21.302 -0.437 1.00 22.34 H new ATOM 1077 N LEU A 74 -7.512 -21.870 2.981 1.00 13.33 N ATOM 1078 CA LEU A 74 -6.096 -21.817 3.341 1.00 21.22 C ATOM 1079 C LEU A 74 -5.644 -23.134 3.893 1.00 32.23 C ATOM 1080 O LEU A 74 -4.461 -23.437 3.920 1.00 23.14 O ATOM 1081 CB LEU A 74 -5.817 -20.764 4.426 1.00 64.34 C ATOM 1082 CG LEU A 74 -6.124 -19.305 4.123 1.00 51.22 C ATOM 1083 CD1 LEU A 74 -7.567 -19.093 4.122 1.00 2.04 C ATOM 1084 CD2 LEU A 74 -5.481 -18.404 5.130 1.00 63.24 C ATOM 0 H LEU A 74 -8.128 -21.399 3.644 1.00 13.33 H new ATOM 0 HA LEU A 74 -5.560 -21.562 2.427 1.00 21.22 H new ATOM 0 HB2 LEU A 74 -6.385 -21.044 5.313 1.00 64.34 H new ATOM 0 HB3 LEU A 74 -4.761 -20.832 4.689 1.00 64.34 H new ATOM 0 HG LEU A 74 -5.720 -19.066 3.139 1.00 51.22 H new ATOM 0 HD11 LEU A 74 -7.781 -18.047 3.905 1.00 2.04 H new ATOM 0 HD12 LEU A 74 -8.027 -19.723 3.361 1.00 2.04 H new ATOM 0 HD13 LEU A 74 -7.973 -19.351 5.100 1.00 2.04 H new ATOM 0 HD21 LEU A 74 -5.715 -17.366 4.892 1.00 63.24 H new ATOM 0 HD22 LEU A 74 -5.858 -18.642 6.125 1.00 63.24 H new ATOM 0 HD23 LEU A 74 -4.401 -18.546 5.108 1.00 63.24 H new ATOM 1096 N TYR A 75 -6.592 -23.877 4.352 1.00 11.00 N ATOM 1097 CA TYR A 75 -6.366 -25.123 5.005 1.00 44.24 C ATOM 1098 C TYR A 75 -6.138 -26.209 3.950 1.00 31.13 C ATOM 1099 O TYR A 75 -5.333 -27.114 4.140 1.00 51.31 O ATOM 1100 CB TYR A 75 -7.610 -25.397 5.835 1.00 20.24 C ATOM 1101 CG TYR A 75 -7.518 -26.348 6.930 1.00 22.51 C ATOM 1102 CD1 TYR A 75 -6.355 -27.020 7.260 1.00 31.04 C ATOM 1103 CD2 TYR A 75 -8.626 -26.525 7.686 1.00 62.53 C ATOM 1104 CE1 TYR A 75 -6.325 -27.852 8.338 1.00 25.33 C ATOM 1105 CE2 TYR A 75 -8.638 -27.334 8.737 1.00 31.12 C ATOM 1106 CZ TYR A 75 -7.474 -28.018 9.087 1.00 21.11 C ATOM 1107 OH TYR A 75 -7.447 -28.831 10.178 1.00 51.23 O ATOM 0 H TYR A 75 -7.578 -23.627 4.281 1.00 11.00 H new ATOM 0 HA TYR A 75 -5.484 -25.107 5.646 1.00 44.24 H new ATOM 0 HB2 TYR A 75 -7.948 -24.447 6.249 1.00 20.24 H new ATOM 0 HB3 TYR A 75 -8.390 -25.746 5.158 1.00 20.24 H new ATOM 0 HD1 TYR A 75 -5.467 -26.884 6.660 1.00 31.04 H new ATOM 0 HD2 TYR A 75 -9.528 -25.991 7.426 1.00 62.53 H new ATOM 0 HE1 TYR A 75 -5.417 -28.374 8.603 1.00 25.33 H new ATOM 0 HE2 TYR A 75 -9.541 -27.462 9.316 1.00 31.12 H new ATOM 0 HH TYR A 75 -8.332 -28.843 10.599 1.00 51.23 H new ATOM 1117 N ALA A 76 -6.852 -26.092 2.839 1.00 62.21 N ATOM 1118 CA ALA A 76 -6.715 -27.020 1.733 1.00 34.24 C ATOM 1119 C ALA A 76 -5.428 -26.744 0.975 1.00 22.10 C ATOM 1120 O ALA A 76 -4.741 -27.664 0.533 1.00 33.11 O ATOM 1121 CB ALA A 76 -7.916 -26.926 0.802 1.00 22.11 C ATOM 0 H ALA A 76 -7.538 -25.354 2.682 1.00 62.21 H new ATOM 0 HA ALA A 76 -6.674 -28.033 2.132 1.00 34.24 H new ATOM 0 HB1 ALA A 76 -7.794 -27.630 -0.021 1.00 22.11 H new ATOM 0 HB2 ALA A 76 -8.824 -27.167 1.354 1.00 22.11 H new ATOM 0 HB3 ALA A 76 -7.991 -25.913 0.405 1.00 22.11 H new ATOM 1127 N ALA A 77 -5.098 -25.476 0.832 1.00 30.13 N ATOM 1128 CA ALA A 77 -3.874 -25.098 0.173 1.00 11.41 C ATOM 1129 C ALA A 77 -3.032 -24.206 1.076 1.00 52.12 C ATOM 1130 O ALA A 77 -3.051 -22.976 0.947 1.00 73.35 O ATOM 1131 CB ALA A 77 -4.144 -24.419 -1.166 1.00 44.32 C ATOM 0 H ALA A 77 -5.663 -24.694 1.164 1.00 30.13 H new ATOM 0 HA ALA A 77 -3.312 -26.009 -0.032 1.00 11.41 H new ATOM 0 HB1 ALA A 77 -3.198 -24.148 -1.634 1.00 44.32 H new ATOM 0 HB2 ALA A 77 -4.688 -25.103 -1.817 1.00 44.32 H new ATOM 0 HB3 ALA A 77 -4.739 -23.520 -1.005 1.00 44.32 H new ATOM 1137 N PRO A 78 -2.306 -24.786 2.037 1.00 12.45 N ATOM 1138 CA PRO A 78 -1.496 -24.018 2.931 1.00 71.54 C ATOM 1139 C PRO A 78 -0.128 -23.771 2.341 1.00 51.33 C ATOM 1140 O PRO A 78 0.812 -24.542 2.552 1.00 43.13 O ATOM 1141 CB PRO A 78 -1.400 -24.887 4.193 1.00 63.41 C ATOM 1142 CG PRO A 78 -1.940 -26.240 3.809 1.00 51.22 C ATOM 1143 CD PRO A 78 -2.226 -26.214 2.333 1.00 13.21 C ATOM 0 HA PRO A 78 -1.917 -23.033 3.134 1.00 71.54 H new ATOM 0 HB2 PRO A 78 -0.368 -24.962 4.537 1.00 63.41 H new ATOM 0 HB3 PRO A 78 -1.978 -24.454 5.010 1.00 63.41 H new ATOM 0 HG2 PRO A 78 -1.218 -27.021 4.045 1.00 51.22 H new ATOM 0 HG3 PRO A 78 -2.847 -26.464 4.371 1.00 51.22 H new ATOM 0 HD2 PRO A 78 -1.436 -26.701 1.761 1.00 13.21 H new ATOM 0 HD3 PRO A 78 -3.157 -26.728 2.093 1.00 13.21 H new ATOM 1151 N THR A 79 -0.044 -22.721 1.586 1.00 42.14 N ATOM 1152 CA THR A 79 1.156 -22.284 0.929 1.00 4.45 C ATOM 1153 C THR A 79 1.082 -20.795 0.881 1.00 24.34 C ATOM 1154 O THR A 79 -0.014 -20.250 0.740 1.00 55.44 O ATOM 1155 CB THR A 79 1.249 -22.826 -0.525 1.00 44.20 C ATOM 1156 OG1 THR A 79 0.004 -22.615 -1.198 1.00 23.34 O ATOM 1157 CG2 THR A 79 1.600 -24.298 -0.570 1.00 11.23 C ATOM 0 H THR A 79 -0.844 -22.116 1.400 1.00 42.14 H new ATOM 0 HA THR A 79 2.030 -22.649 1.469 1.00 4.45 H new ATOM 0 HB THR A 79 2.049 -22.280 -1.024 1.00 44.20 H new ATOM 0 HG1 THR A 79 0.066 -22.956 -2.115 1.00 23.34 H new ATOM 0 HG21 THR A 79 1.653 -24.628 -1.608 1.00 11.23 H new ATOM 0 HG22 THR A 79 2.565 -24.457 -0.089 1.00 11.23 H new ATOM 0 HG23 THR A 79 0.835 -24.871 -0.046 1.00 11.23 H new ATOM 1165 N LEU A 80 2.187 -20.133 0.986 1.00 64.42 N ATOM 1166 CA LEU A 80 2.171 -18.700 1.002 1.00 63.22 C ATOM 1167 C LEU A 80 1.773 -18.130 -0.354 1.00 65.24 C ATOM 1168 O LEU A 80 1.104 -17.122 -0.412 1.00 44.32 O ATOM 1169 CB LEU A 80 3.495 -18.143 1.508 1.00 54.34 C ATOM 1170 CG LEU A 80 3.375 -17.188 2.696 1.00 32.11 C ATOM 1171 CD1 LEU A 80 2.569 -15.995 2.348 1.00 50.30 C ATOM 1172 CD2 LEU A 80 2.766 -17.876 3.864 1.00 65.22 C ATOM 0 H LEU A 80 3.112 -20.556 1.062 1.00 64.42 H new ATOM 0 HA LEU A 80 1.404 -18.378 1.706 1.00 63.22 H new ATOM 0 HB2 LEU A 80 4.139 -18.975 1.792 1.00 54.34 H new ATOM 0 HB3 LEU A 80 3.991 -17.622 0.689 1.00 54.34 H new ATOM 0 HG LEU A 80 4.382 -16.863 2.956 1.00 32.11 H new ATOM 0 HD11 LEU A 80 2.502 -15.336 3.214 1.00 50.30 H new ATOM 0 HD12 LEU A 80 3.043 -15.464 1.523 1.00 50.30 H new ATOM 0 HD13 LEU A 80 1.567 -16.306 2.051 1.00 50.30 H new ATOM 0 HD21 LEU A 80 2.690 -17.178 4.698 1.00 65.22 H new ATOM 0 HD22 LEU A 80 1.771 -18.233 3.598 1.00 65.22 H new ATOM 0 HD23 LEU A 80 3.390 -18.722 4.154 1.00 65.22 H new ATOM 1184 N ALA A 81 2.120 -18.837 -1.422 1.00 44.15 N ATOM 1185 CA ALA A 81 1.781 -18.423 -2.780 1.00 25.22 C ATOM 1186 C ALA A 81 0.275 -18.398 -2.978 1.00 24.35 C ATOM 1187 O ALA A 81 -0.279 -17.422 -3.483 1.00 61.24 O ATOM 1188 CB ALA A 81 2.426 -19.353 -3.803 1.00 44.12 C ATOM 0 H ALA A 81 2.643 -19.711 -1.373 1.00 44.15 H new ATOM 0 HA ALA A 81 2.168 -17.415 -2.929 1.00 25.22 H new ATOM 0 HB1 ALA A 81 2.161 -19.027 -4.809 1.00 44.12 H new ATOM 0 HB2 ALA A 81 3.509 -19.326 -3.687 1.00 44.12 H new ATOM 0 HB3 ALA A 81 2.069 -20.371 -3.645 1.00 44.12 H new ATOM 1194 N ALA A 82 -0.396 -19.469 -2.551 1.00 63.12 N ATOM 1195 CA ALA A 82 -1.834 -19.545 -2.697 1.00 3.31 C ATOM 1196 C ALA A 82 -2.507 -18.538 -1.806 1.00 13.04 C ATOM 1197 O ALA A 82 -3.468 -17.914 -2.213 1.00 34.21 O ATOM 1198 CB ALA A 82 -2.365 -20.934 -2.423 1.00 63.03 C ATOM 0 H ALA A 82 0.034 -20.281 -2.108 1.00 63.12 H new ATOM 0 HA ALA A 82 -2.065 -19.312 -3.736 1.00 3.31 H new ATOM 0 HB1 ALA A 82 -3.448 -20.940 -2.545 1.00 63.03 H new ATOM 0 HB2 ALA A 82 -1.917 -21.639 -3.123 1.00 63.03 H new ATOM 0 HB3 ALA A 82 -2.113 -21.225 -1.403 1.00 63.03 H new ATOM 1204 N TRP A 83 -1.981 -18.370 -0.599 1.00 55.31 N ATOM 1205 CA TRP A 83 -2.516 -17.391 0.338 1.00 12.31 C ATOM 1206 C TRP A 83 -2.400 -16.005 -0.230 1.00 52.40 C ATOM 1207 O TRP A 83 -3.391 -15.335 -0.381 1.00 74.05 O ATOM 1208 CB TRP A 83 -1.829 -17.470 1.692 1.00 24.42 C ATOM 1209 CG TRP A 83 -2.198 -18.673 2.502 1.00 11.33 C ATOM 1210 CD1 TRP A 83 -2.754 -19.840 2.065 1.00 2.44 C ATOM 1211 CD2 TRP A 83 -2.072 -18.802 3.900 1.00 15.35 C ATOM 1212 NE1 TRP A 83 -2.909 -20.704 3.093 1.00 72.34 N ATOM 1213 CE2 TRP A 83 -2.524 -20.080 4.243 1.00 52.23 C ATOM 1214 CE3 TRP A 83 -1.611 -17.959 4.897 1.00 31.20 C ATOM 1215 CZ2 TRP A 83 -2.536 -20.533 5.536 1.00 71.40 C ATOM 1216 CZ3 TRP A 83 -1.628 -18.409 6.202 1.00 23.20 C ATOM 1217 CH2 TRP A 83 -2.095 -19.693 6.506 1.00 53.32 C ATOM 0 H TRP A 83 -1.184 -18.900 -0.246 1.00 55.31 H new ATOM 0 HA TRP A 83 -3.570 -17.624 0.492 1.00 12.31 H new ATOM 0 HB2 TRP A 83 -0.750 -17.467 1.539 1.00 24.42 H new ATOM 0 HB3 TRP A 83 -2.073 -16.574 2.263 1.00 24.42 H new ATOM 0 HD1 TRP A 83 -3.031 -20.045 1.041 1.00 2.44 H new ATOM 0 HE1 TRP A 83 -3.255 -21.661 3.021 1.00 72.34 H new ATOM 0 HE3 TRP A 83 -1.246 -16.971 4.659 1.00 31.20 H new ATOM 0 HZ2 TRP A 83 -2.885 -21.527 5.775 1.00 71.40 H new ATOM 0 HZ3 TRP A 83 -1.278 -17.765 6.995 1.00 23.20 H new ATOM 0 HH2 TRP A 83 -2.105 -20.022 7.535 1.00 53.32 H new ATOM 1228 N ASN A 84 -1.187 -15.620 -0.587 1.00 11.23 N ATOM 1229 CA ASN A 84 -0.887 -14.316 -1.218 1.00 32.33 C ATOM 1230 C ASN A 84 -1.831 -14.069 -2.418 1.00 31.13 C ATOM 1231 O ASN A 84 -2.418 -12.982 -2.562 1.00 61.33 O ATOM 1232 CB ASN A 84 0.620 -14.292 -1.606 1.00 30.24 C ATOM 1233 CG ASN A 84 1.103 -13.075 -2.381 1.00 20.20 C ATOM 1234 OD1 ASN A 84 0.524 -11.990 -2.315 1.00 65.01 O ATOM 1235 ND2 ASN A 84 2.234 -13.226 -3.039 1.00 61.14 N ATOM 0 H ASN A 84 -0.361 -16.202 -0.451 1.00 11.23 H new ATOM 0 HA ASN A 84 -1.067 -13.496 -0.523 1.00 32.33 H new ATOM 0 HB2 ASN A 84 1.209 -14.370 -0.692 1.00 30.24 H new ATOM 0 HB3 ASN A 84 0.834 -15.181 -2.199 1.00 30.24 H new ATOM 0 HD21 ASN A 84 2.658 -12.429 -3.515 1.00 61.14 H new ATOM 0 HD22 ASN A 84 2.686 -14.140 -3.073 1.00 61.14 H new ATOM 1242 N GLN A 85 -2.052 -15.115 -3.209 1.00 30.41 N ATOM 1243 CA GLN A 85 -3.000 -15.082 -4.317 1.00 34.04 C ATOM 1244 C GLN A 85 -4.439 -14.818 -3.798 1.00 3.14 C ATOM 1245 O GLN A 85 -5.109 -13.869 -4.238 1.00 11.50 O ATOM 1246 CB GLN A 85 -2.950 -16.413 -5.080 1.00 13.21 C ATOM 1247 CG GLN A 85 -3.902 -16.502 -6.261 1.00 62.11 C ATOM 1248 CD GLN A 85 -3.824 -17.843 -6.957 1.00 1.23 C ATOM 1249 OE1 GLN A 85 -3.050 -18.031 -7.873 1.00 74.11 O ATOM 1250 NE2 GLN A 85 -4.624 -18.782 -6.519 1.00 13.13 N ATOM 0 H GLN A 85 -1.577 -16.011 -3.099 1.00 30.41 H new ATOM 0 HA GLN A 85 -2.724 -14.270 -4.990 1.00 34.04 H new ATOM 0 HB2 GLN A 85 -1.933 -16.574 -5.437 1.00 13.21 H new ATOM 0 HB3 GLN A 85 -3.176 -17.223 -4.386 1.00 13.21 H new ATOM 0 HG2 GLN A 85 -4.922 -16.332 -5.917 1.00 62.11 H new ATOM 0 HG3 GLN A 85 -3.670 -15.711 -6.973 1.00 62.11 H new ATOM 0 HE21 GLN A 85 -5.262 -18.589 -5.747 1.00 13.13 H new ATOM 0 HE22 GLN A 85 -4.609 -19.706 -6.950 1.00 13.13 H new ATOM 1259 N LEU A 86 -4.883 -15.641 -2.838 1.00 51.10 N ATOM 1260 CA LEU A 86 -6.233 -15.561 -2.224 1.00 45.42 C ATOM 1261 C LEU A 86 -6.469 -14.221 -1.548 1.00 64.24 C ATOM 1262 O LEU A 86 -7.585 -13.714 -1.512 1.00 50.33 O ATOM 1263 CB LEU A 86 -6.397 -16.638 -1.141 1.00 31.42 C ATOM 1264 CG LEU A 86 -6.360 -18.099 -1.580 1.00 33.31 C ATOM 1265 CD1 LEU A 86 -6.366 -18.992 -0.371 1.00 14.21 C ATOM 1266 CD2 LEU A 86 -7.537 -18.440 -2.466 1.00 22.54 C ATOM 0 H LEU A 86 -4.313 -16.395 -2.455 1.00 51.10 H new ATOM 0 HA LEU A 86 -6.946 -15.701 -3.036 1.00 45.42 H new ATOM 0 HB2 LEU A 86 -5.611 -16.491 -0.400 1.00 31.42 H new ATOM 0 HB3 LEU A 86 -7.347 -16.464 -0.636 1.00 31.42 H new ATOM 0 HG LEU A 86 -5.446 -18.255 -2.153 1.00 33.31 H new ATOM 0 HD11 LEU A 86 -6.340 -20.034 -0.688 1.00 14.21 H new ATOM 0 HD12 LEU A 86 -5.492 -18.778 0.244 1.00 14.21 H new ATOM 0 HD13 LEU A 86 -7.271 -18.812 0.209 1.00 14.21 H new ATOM 0 HD21 LEU A 86 -7.479 -19.488 -2.760 1.00 22.54 H new ATOM 0 HD22 LEU A 86 -8.465 -18.267 -1.921 1.00 22.54 H new ATOM 0 HD23 LEU A 86 -7.516 -17.811 -3.356 1.00 22.54 H new ATOM 1278 N MET A 87 -5.408 -13.630 -1.074 1.00 65.21 N ATOM 1279 CA MET A 87 -5.494 -12.464 -0.235 1.00 45.32 C ATOM 1280 C MET A 87 -5.776 -11.264 -1.045 1.00 41.14 C ATOM 1281 O MET A 87 -6.476 -10.363 -0.624 1.00 70.50 O ATOM 1282 CB MET A 87 -4.221 -12.266 0.583 1.00 3.13 C ATOM 1283 CG MET A 87 -4.017 -13.294 1.682 1.00 41.05 C ATOM 1284 SD MET A 87 -2.406 -13.159 2.474 1.00 4.12 S ATOM 1285 CE MET A 87 -2.473 -11.473 3.034 1.00 45.44 C ATOM 0 H MET A 87 -4.455 -13.943 -1.258 1.00 65.21 H new ATOM 0 HA MET A 87 -6.317 -12.620 0.463 1.00 45.32 H new ATOM 0 HB2 MET A 87 -3.363 -12.295 -0.089 1.00 3.13 H new ATOM 0 HB3 MET A 87 -4.242 -11.272 1.031 1.00 3.13 H new ATOM 0 HG2 MET A 87 -4.797 -13.175 2.434 1.00 41.05 H new ATOM 0 HG3 MET A 87 -4.128 -14.294 1.263 1.00 41.05 H new ATOM 0 HE1 MET A 87 -1.673 -11.296 3.753 1.00 45.44 H new ATOM 0 HE2 MET A 87 -2.351 -10.802 2.184 1.00 45.44 H new ATOM 0 HE3 MET A 87 -3.436 -11.285 3.509 1.00 45.44 H new ATOM 1295 N LEU A 88 -5.263 -11.264 -2.212 1.00 14.04 N ATOM 1296 CA LEU A 88 -5.441 -10.180 -3.096 1.00 41.13 C ATOM 1297 C LEU A 88 -6.692 -10.348 -3.937 1.00 14.54 C ATOM 1298 O LEU A 88 -7.466 -9.388 -4.097 1.00 71.51 O ATOM 1299 CB LEU A 88 -4.174 -10.009 -3.926 1.00 41.52 C ATOM 1300 CG LEU A 88 -4.333 -9.633 -5.370 1.00 63.22 C ATOM 1301 CD1 LEU A 88 -4.824 -8.192 -5.540 1.00 63.51 C ATOM 1302 CD2 LEU A 88 -3.052 -9.869 -6.125 1.00 50.14 C ATOM 0 H LEU A 88 -4.699 -12.027 -2.587 1.00 14.04 H new ATOM 0 HA LEU A 88 -5.600 -9.262 -2.531 1.00 41.13 H new ATOM 0 HB2 LEU A 88 -3.559 -9.247 -3.447 1.00 41.52 H new ATOM 0 HB3 LEU A 88 -3.615 -10.944 -3.882 1.00 41.52 H new ATOM 0 HG LEU A 88 -5.103 -10.278 -5.793 1.00 63.22 H new ATOM 0 HD11 LEU A 88 -4.924 -7.965 -6.601 1.00 63.51 H new ATOM 0 HD12 LEU A 88 -5.792 -8.077 -5.051 1.00 63.51 H new ATOM 0 HD13 LEU A 88 -4.106 -7.507 -5.089 1.00 63.51 H new ATOM 0 HD21 LEU A 88 -3.189 -9.590 -7.170 1.00 50.14 H new ATOM 0 HD22 LEU A 88 -2.256 -9.265 -5.689 1.00 50.14 H new ATOM 0 HD23 LEU A 88 -2.782 -10.923 -6.063 1.00 50.14 H new ATOM 1314 N SER A 89 -6.909 -11.542 -4.440 1.00 74.20 N ATOM 1315 CA SER A 89 -8.041 -11.780 -5.295 1.00 3.35 C ATOM 1316 C SER A 89 -9.352 -11.601 -4.534 1.00 23.20 C ATOM 1317 O SER A 89 -10.334 -11.105 -5.078 1.00 23.32 O ATOM 1318 CB SER A 89 -7.939 -13.171 -5.932 1.00 25.41 C ATOM 1319 OG SER A 89 -7.660 -14.163 -4.950 1.00 45.44 O ATOM 0 H SER A 89 -6.319 -12.356 -4.271 1.00 74.20 H new ATOM 0 HA SER A 89 -8.035 -11.041 -6.096 1.00 3.35 H new ATOM 0 HB2 SER A 89 -8.872 -13.411 -6.441 1.00 25.41 H new ATOM 0 HB3 SER A 89 -7.154 -13.172 -6.688 1.00 25.41 H new ATOM 0 HG SER A 89 -6.690 -14.249 -4.838 1.00 45.44 H new