USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 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 17 HIS : no HD1:sc= 0 K(o=1.5,f=0.88) USER MOD Set 1.2: A 64 LYS NZ :NH3+ -163:sc= 2.5 (180deg=0.646) USER MOD Set 1.3: A 65 ASN : amide:sc= 1.16 K(o=1.5,f=-15!) USER MOD Set 1.4: A 67 TYR OH : rot 180:sc= -2.21! USER MOD Set 2.1: A 44 ASN : amide:sc= -1.06 K(o=-1,f=-9!) USER MOD Set 2.2: A 47 GLN : amide:sc= 0.0354 K(o=-1,f=-9) USER MOD Set 3.1: A 40 HIS : no HD1:sc= 0.578 K(o=-0.32,f=-3.1) USER MOD Set 3.2: A 43 SER OG : rot 47:sc= -0.897! USER MOD Set 4.1: A 35 THR OG1 : rot -86:sc= -0.959 USER MOD Set 4.2: A 38 GLN : amide:sc= -0.545 K(o=-1.5,f=-2.5) USER MOD Single : A 21 TYR OH : rot 80:sc= -0.52 USER MOD Single : A 22 GLN : amide:sc= -0.728 K(o=-0.73,f=-0.015) USER MOD Single : A 23 GLN : amide:sc= 0.0301 X(o=0.03,f=-0.051) USER MOD Single : A 30 GLN : amide:sc= 2.04 K(o=2,f=-2!) USER MOD Single : A 33 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.036) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 56 MET CE :methyl 147:sc= -0.54 (180deg=-2.66!) USER MOD Single : A 60 HIS : no HE2:sc= -2.06 X(o=-2.1,f=-2) USER MOD Single : A 70 THR OG1 : rot -59:sc= 2.16 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 138:sc= 0.612 USER MOD Single : A 84 ASN : amide:sc= -0.264 K(o=-0.26,f=-0.9) USER MOD Single : A 85 GLN : amide:sc= -0.575 K(o=-0.57,f=-1.4) USER MOD Single : A 87 MET CE :methyl 142:sc= -0.0418 (180deg=-1.83) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -4.524 -5.217 0.383 1.00 45.32 N ATOM 52 CA HIS A 17 -4.522 -6.029 1.599 1.00 42.14 C ATOM 53 C HIS A 17 -3.465 -7.089 1.545 1.00 24.54 C ATOM 54 O HIS A 17 -3.045 -7.610 2.561 1.00 1.01 O ATOM 55 CB HIS A 17 -5.912 -6.576 1.911 1.00 74.41 C ATOM 56 CG HIS A 17 -6.930 -5.528 2.256 1.00 53.33 C ATOM 57 ND1 HIS A 17 -7.180 -5.087 3.540 1.00 64.00 N ATOM 58 CD2 HIS A 17 -7.774 -4.835 1.453 1.00 13.23 C ATOM 59 CE1 HIS A 17 -8.145 -4.166 3.476 1.00 72.22 C ATOM 60 NE2 HIS A 17 -8.539 -3.973 2.229 1.00 54.04 N ATOM 0 HA HIS A 17 -4.261 -5.383 2.437 1.00 42.14 H new ATOM 0 HB2 HIS A 17 -6.268 -7.141 1.050 1.00 74.41 H new ATOM 0 HB3 HIS A 17 -5.835 -7.277 2.742 1.00 74.41 H new ATOM 0 HD2 HIS A 17 -7.841 -4.937 0.380 1.00 13.23 H new ATOM 0 HE1 HIS A 17 -8.551 -3.647 4.332 1.00 72.22 H new ATOM 0 HE2 HIS A 17 -9.256 -3.325 1.904 1.00 54.04 H new ATOM 68 N ALA A 18 -3.018 -7.391 0.345 1.00 51.34 N ATOM 69 CA ALA A 18 -1.895 -8.281 0.146 1.00 44.54 C ATOM 70 C ALA A 18 -0.632 -7.728 0.818 1.00 61.12 C ATOM 71 O ALA A 18 0.343 -8.410 0.943 1.00 11.13 O ATOM 72 CB ALA A 18 -1.688 -8.630 -1.309 1.00 52.34 C ATOM 0 H ALA A 18 -3.422 -7.027 -0.518 1.00 51.34 H new ATOM 0 HA ALA A 18 -2.129 -9.225 0.638 1.00 44.54 H new ATOM 0 HB1 ALA A 18 -0.833 -9.300 -1.404 1.00 52.34 H new ATOM 0 HB2 ALA A 18 -2.580 -9.123 -1.696 1.00 52.34 H new ATOM 0 HB3 ALA A 18 -1.501 -7.720 -1.878 1.00 52.34 H new ATOM 78 N ALA A 19 -0.648 -6.444 1.182 1.00 1.13 N ATOM 79 CA ALA A 19 0.430 -5.851 1.965 1.00 21.14 C ATOM 80 C ALA A 19 0.606 -6.611 3.303 1.00 14.23 C ATOM 81 O ALA A 19 1.720 -6.696 3.830 1.00 30.24 O ATOM 82 CB ALA A 19 0.160 -4.373 2.211 1.00 3.34 C ATOM 0 H ALA A 19 -1.399 -5.796 0.945 1.00 1.13 H new ATOM 0 HA ALA A 19 1.358 -5.936 1.400 1.00 21.14 H new ATOM 0 HB1 ALA A 19 0.975 -3.947 2.797 1.00 3.34 H new ATOM 0 HB2 ALA A 19 0.089 -3.852 1.256 1.00 3.34 H new ATOM 0 HB3 ALA A 19 -0.777 -4.260 2.757 1.00 3.34 H new ATOM 88 N ASP A 20 -0.498 -7.204 3.814 1.00 44.30 N ATOM 89 CA ASP A 20 -0.470 -8.050 5.029 1.00 74.44 C ATOM 90 C ASP A 20 0.436 -9.250 4.832 1.00 61.25 C ATOM 91 O ASP A 20 0.971 -9.796 5.796 1.00 63.33 O ATOM 92 CB ASP A 20 -1.872 -8.544 5.439 1.00 61.32 C ATOM 93 CG ASP A 20 -2.642 -7.596 6.343 1.00 64.45 C ATOM 94 OD1 ASP A 20 -3.391 -6.750 5.837 1.00 21.44 O ATOM 95 OD2 ASP A 20 -2.554 -7.749 7.593 1.00 43.02 O ATOM 0 H ASP A 20 -1.425 -7.111 3.400 1.00 44.30 H new ATOM 0 HA ASP A 20 -0.084 -7.419 5.829 1.00 74.44 H new ATOM 0 HB2 ASP A 20 -2.458 -8.720 4.537 1.00 61.32 H new ATOM 0 HB3 ASP A 20 -1.770 -9.504 5.945 1.00 61.32 H new ATOM 100 N TYR A 21 0.619 -9.649 3.564 1.00 22.55 N ATOM 101 CA TYR A 21 1.540 -10.772 3.186 1.00 65.34 C ATOM 102 C TYR A 21 2.913 -10.539 3.790 1.00 33.34 C ATOM 103 O TYR A 21 3.558 -11.473 4.271 1.00 30.51 O ATOM 104 CB TYR A 21 1.684 -10.862 1.648 1.00 45.11 C ATOM 105 CG TYR A 21 2.632 -11.930 1.087 1.00 11.43 C ATOM 106 CD1 TYR A 21 4.031 -11.796 1.150 1.00 23.45 C ATOM 107 CD2 TYR A 21 2.130 -13.052 0.465 1.00 44.11 C ATOM 108 CE1 TYR A 21 4.858 -12.736 0.625 1.00 72.41 C ATOM 109 CE2 TYR A 21 2.973 -14.001 -0.074 1.00 13.42 C ATOM 110 CZ TYR A 21 4.333 -13.835 0.011 1.00 54.04 C ATOM 111 OH TYR A 21 5.173 -14.777 -0.506 1.00 42.11 O ATOM 0 H TYR A 21 0.147 -9.219 2.769 1.00 22.55 H new ATOM 0 HA TYR A 21 1.117 -11.702 3.565 1.00 65.34 H new ATOM 0 HB2 TYR A 21 0.694 -11.036 1.227 1.00 45.11 H new ATOM 0 HB3 TYR A 21 2.018 -9.891 1.284 1.00 45.11 H new ATOM 0 HD1 TYR A 21 4.457 -10.926 1.627 1.00 23.45 H new ATOM 0 HD2 TYR A 21 1.061 -13.190 0.399 1.00 44.11 H new ATOM 0 HE1 TYR A 21 5.929 -12.614 0.693 1.00 72.41 H new ATOM 0 HE2 TYR A 21 2.564 -14.873 -0.562 1.00 13.42 H new ATOM 0 HH TYR A 21 5.496 -15.358 0.214 1.00 42.11 H new ATOM 121 N GLN A 22 3.345 -9.290 3.751 1.00 1.14 N ATOM 122 CA GLN A 22 4.641 -8.886 4.280 1.00 55.11 C ATOM 123 C GLN A 22 4.748 -9.258 5.758 1.00 75.12 C ATOM 124 O GLN A 22 5.678 -9.958 6.164 1.00 3.15 O ATOM 125 CB GLN A 22 4.842 -7.371 4.097 1.00 74.41 C ATOM 126 CG GLN A 22 6.177 -6.848 4.624 1.00 44.25 C ATOM 127 CD GLN A 22 7.391 -7.410 3.884 1.00 41.05 C ATOM 128 OE1 GLN A 22 8.447 -7.580 4.458 1.00 41.32 O ATOM 129 NE2 GLN A 22 7.255 -7.665 2.601 1.00 54.32 N ATOM 0 H GLN A 22 2.806 -8.523 3.350 1.00 1.14 H new ATOM 0 HA GLN A 22 5.422 -9.411 3.730 1.00 55.11 H new ATOM 0 HB2 GLN A 22 4.764 -7.131 3.037 1.00 74.41 H new ATOM 0 HB3 GLN A 22 4.033 -6.845 4.604 1.00 74.41 H new ATOM 0 HG2 GLN A 22 6.187 -5.761 4.548 1.00 44.25 H new ATOM 0 HG3 GLN A 22 6.262 -7.094 5.682 1.00 44.25 H new ATOM 0 HE21 GLN A 22 6.356 -7.513 2.143 1.00 54.32 H new ATOM 0 HE22 GLN A 22 8.048 -8.015 2.064 1.00 54.32 H new ATOM 138 N GLN A 23 3.749 -8.849 6.525 1.00 51.42 N ATOM 139 CA GLN A 23 3.721 -9.091 7.962 1.00 60.41 C ATOM 140 C GLN A 23 3.584 -10.591 8.223 1.00 11.35 C ATOM 141 O GLN A 23 4.206 -11.143 9.136 1.00 54.53 O ATOM 142 CB GLN A 23 2.535 -8.363 8.594 1.00 35.20 C ATOM 143 CG GLN A 23 2.561 -8.316 10.120 1.00 72.44 C ATOM 144 CD GLN A 23 3.675 -7.429 10.658 1.00 22.43 C ATOM 145 OE1 GLN A 23 3.481 -6.240 10.849 1.00 22.25 O ATOM 146 NE2 GLN A 23 4.830 -7.988 10.928 1.00 3.14 N ATOM 0 H GLN A 23 2.937 -8.342 6.172 1.00 51.42 H new ATOM 0 HA GLN A 23 4.647 -8.720 8.401 1.00 60.41 H new ATOM 0 HB2 GLN A 23 2.506 -7.342 8.212 1.00 35.20 H new ATOM 0 HB3 GLN A 23 1.614 -8.850 8.274 1.00 35.20 H new ATOM 0 HG2 GLN A 23 1.601 -7.950 10.485 1.00 72.44 H new ATOM 0 HG3 GLN A 23 2.686 -9.326 10.509 1.00 72.44 H new ATOM 0 HE21 GLN A 23 4.966 -8.985 10.759 1.00 3.14 H new ATOM 0 HE22 GLN A 23 5.592 -7.426 11.307 1.00 3.14 H new ATOM 155 N LEU A 24 2.757 -11.232 7.401 1.00 32.42 N ATOM 156 CA LEU A 24 2.519 -12.660 7.473 1.00 34.21 C ATOM 157 C LEU A 24 3.807 -13.429 7.314 1.00 71.54 C ATOM 158 O LEU A 24 4.154 -14.226 8.170 1.00 2.21 O ATOM 159 CB LEU A 24 1.505 -13.091 6.403 1.00 75.12 C ATOM 160 CG LEU A 24 1.162 -14.580 6.354 1.00 41.45 C ATOM 161 CD1 LEU A 24 0.534 -15.040 7.649 1.00 24.01 C ATOM 162 CD2 LEU A 24 0.241 -14.886 5.204 1.00 53.24 C ATOM 0 H LEU A 24 2.231 -10.765 6.662 1.00 32.42 H new ATOM 0 HA LEU A 24 2.106 -12.885 8.456 1.00 34.21 H new ATOM 0 HB2 LEU A 24 0.582 -12.533 6.562 1.00 75.12 H new ATOM 0 HB3 LEU A 24 1.892 -12.797 5.427 1.00 75.12 H new ATOM 0 HG LEU A 24 2.096 -15.122 6.209 1.00 41.45 H new ATOM 0 HD11 LEU A 24 0.301 -16.103 7.583 1.00 24.01 H new ATOM 0 HD12 LEU A 24 1.230 -14.871 8.471 1.00 24.01 H new ATOM 0 HD13 LEU A 24 -0.383 -14.478 7.828 1.00 24.01 H new ATOM 0 HD21 LEU A 24 0.014 -15.952 5.194 1.00 53.24 H new ATOM 0 HD22 LEU A 24 -0.683 -14.319 5.317 1.00 53.24 H new ATOM 0 HD23 LEU A 24 0.724 -14.609 4.267 1.00 53.24 H new ATOM 174 N ARG A 25 4.532 -13.152 6.248 1.00 25.10 N ATOM 175 CA ARG A 25 5.740 -13.856 5.956 1.00 51.11 C ATOM 176 C ARG A 25 6.774 -13.634 7.059 1.00 65.45 C ATOM 177 O ARG A 25 7.415 -14.579 7.498 1.00 65.20 O ATOM 178 CB ARG A 25 6.276 -13.438 4.595 1.00 12.53 C ATOM 179 CG ARG A 25 7.241 -14.435 4.032 1.00 63.33 C ATOM 180 CD ARG A 25 7.679 -14.081 2.626 1.00 14.10 C ATOM 181 NE ARG A 25 8.462 -15.185 2.022 1.00 11.52 N ATOM 182 CZ ARG A 25 8.612 -15.403 0.701 1.00 43.12 C ATOM 183 NH1 ARG A 25 8.144 -14.539 -0.175 1.00 2.13 N ATOM 184 NH2 ARG A 25 9.238 -16.494 0.267 1.00 55.41 N ATOM 0 H ARG A 25 4.291 -12.431 5.568 1.00 25.10 H new ATOM 0 HA ARG A 25 5.526 -14.924 5.919 1.00 51.11 H new ATOM 0 HB2 ARG A 25 5.444 -13.311 3.903 1.00 12.53 H new ATOM 0 HB3 ARG A 25 6.768 -12.469 4.683 1.00 12.53 H new ATOM 0 HG2 ARG A 25 8.116 -14.495 4.679 1.00 63.33 H new ATOM 0 HG3 ARG A 25 6.779 -15.422 4.028 1.00 63.33 H new ATOM 0 HD2 ARG A 25 6.804 -13.871 2.010 1.00 14.10 H new ATOM 0 HD3 ARG A 25 8.280 -13.172 2.646 1.00 14.10 H new ATOM 0 HE ARG A 25 8.925 -15.833 2.659 1.00 11.52 H new ATOM 0 HH11 ARG A 25 7.664 -13.698 0.145 1.00 2.13 H new ATOM 0 HH12 ARG A 25 8.261 -14.711 -1.174 1.00 2.13 H new ATOM 0 HH21 ARG A 25 9.607 -17.170 0.936 1.00 55.41 H new ATOM 0 HH22 ARG A 25 9.349 -16.654 -0.734 1.00 55.41 H new ATOM 198 N GLU A 26 6.870 -12.393 7.524 1.00 75.32 N ATOM 199 CA GLU A 26 7.770 -11.994 8.609 1.00 24.40 C ATOM 200 C GLU A 26 7.514 -12.843 9.863 1.00 12.31 C ATOM 201 O GLU A 26 8.444 -13.457 10.424 1.00 42.11 O ATOM 202 CB GLU A 26 7.555 -10.497 8.865 1.00 4.12 C ATOM 203 CG GLU A 26 8.445 -9.862 9.916 1.00 11.22 C ATOM 204 CD GLU A 26 7.884 -9.919 11.327 1.00 24.21 C ATOM 205 OE1 GLU A 26 6.635 -10.021 11.496 1.00 1.10 O ATOM 206 OE2 GLU A 26 8.678 -9.869 12.298 1.00 14.11 O ATOM 0 H GLU A 26 6.317 -11.620 7.154 1.00 75.32 H new ATOM 0 HA GLU A 26 8.811 -12.164 8.335 1.00 24.40 H new ATOM 0 HB2 GLU A 26 7.701 -9.964 7.925 1.00 4.12 H new ATOM 0 HB3 GLU A 26 6.516 -10.346 9.159 1.00 4.12 H new ATOM 0 HG2 GLU A 26 9.415 -10.359 9.903 1.00 11.22 H new ATOM 0 HG3 GLU A 26 8.617 -8.820 9.648 1.00 11.22 H new ATOM 213 N ARG A 27 6.261 -12.916 10.261 1.00 12.44 N ATOM 214 CA ARG A 27 5.855 -13.701 11.403 1.00 4.33 C ATOM 215 C ARG A 27 6.047 -15.166 11.202 1.00 35.02 C ATOM 216 O ARG A 27 6.529 -15.838 12.090 1.00 64.32 O ATOM 217 CB ARG A 27 4.431 -13.431 11.743 1.00 15.14 C ATOM 218 CG ARG A 27 4.256 -12.128 12.435 1.00 13.32 C ATOM 219 CD ARG A 27 4.354 -12.227 13.968 1.00 2.31 C ATOM 220 NE ARG A 27 5.582 -12.892 14.480 1.00 24.11 N ATOM 221 CZ ARG A 27 6.790 -12.301 14.606 1.00 31.22 C ATOM 222 NH1 ARG A 27 7.050 -11.194 13.951 1.00 70.23 N ATOM 223 NH2 ARG A 27 7.758 -12.886 15.318 1.00 14.43 N ATOM 0 H ARG A 27 5.494 -12.429 9.798 1.00 12.44 H new ATOM 0 HA ARG A 27 6.501 -13.397 12.227 1.00 4.33 H new ATOM 0 HB2 ARG A 27 3.834 -13.439 10.831 1.00 15.14 H new ATOM 0 HB3 ARG A 27 4.053 -14.232 12.379 1.00 15.14 H new ATOM 0 HG2 ARG A 27 5.012 -11.430 12.075 1.00 13.32 H new ATOM 0 HG3 ARG A 27 3.285 -11.711 12.167 1.00 13.32 H new ATOM 0 HD2 ARG A 27 4.303 -11.221 14.386 1.00 2.31 H new ATOM 0 HD3 ARG A 27 3.484 -12.770 14.338 1.00 2.31 H new ATOM 0 HE ARG A 27 5.506 -13.871 14.758 1.00 24.11 H new ATOM 0 HH11 ARG A 27 6.340 -10.780 13.347 1.00 70.23 H new ATOM 0 HH12 ARG A 27 7.962 -10.747 14.046 1.00 70.23 H new ATOM 0 HH21 ARG A 27 7.587 -13.784 15.770 1.00 14.43 H new ATOM 0 HH22 ARG A 27 8.668 -12.434 15.409 1.00 14.43 H new ATOM 237 N LEU A 28 5.717 -15.654 10.019 1.00 34.42 N ATOM 238 CA LEU A 28 5.783 -17.076 9.732 1.00 60.10 C ATOM 239 C LEU A 28 7.211 -17.549 9.782 1.00 5.31 C ATOM 240 O LEU A 28 7.494 -18.598 10.315 1.00 40.05 O ATOM 241 CB LEU A 28 5.168 -17.410 8.372 1.00 75.44 C ATOM 242 CG LEU A 28 3.662 -17.208 8.219 1.00 22.35 C ATOM 243 CD1 LEU A 28 3.271 -17.407 6.773 1.00 33.43 C ATOM 244 CD2 LEU A 28 2.891 -18.182 9.086 1.00 74.51 C ATOM 0 H LEU A 28 5.399 -15.082 9.237 1.00 34.42 H new ATOM 0 HA LEU A 28 5.202 -17.594 10.495 1.00 60.10 H new ATOM 0 HB2 LEU A 28 5.669 -16.804 7.617 1.00 75.44 H new ATOM 0 HB3 LEU A 28 5.394 -18.452 8.146 1.00 75.44 H new ATOM 0 HG LEU A 28 3.418 -16.194 8.537 1.00 22.35 H new ATOM 0 HD11 LEU A 28 2.196 -17.263 6.664 1.00 33.43 H new ATOM 0 HD12 LEU A 28 3.799 -16.685 6.151 1.00 33.43 H new ATOM 0 HD13 LEU A 28 3.535 -18.417 6.460 1.00 33.43 H new ATOM 0 HD21 LEU A 28 1.821 -18.016 8.957 1.00 74.51 H new ATOM 0 HD22 LEU A 28 3.137 -19.203 8.794 1.00 74.51 H new ATOM 0 HD23 LEU A 28 3.159 -18.029 10.131 1.00 74.51 H new ATOM 256 N ILE A 29 8.106 -16.736 9.252 1.00 4.35 N ATOM 257 CA ILE A 29 9.534 -17.009 9.283 1.00 54.03 C ATOM 258 C ILE A 29 9.991 -17.305 10.725 1.00 3.01 C ATOM 259 O ILE A 29 10.623 -18.313 10.998 1.00 70.11 O ATOM 260 CB ILE A 29 10.323 -15.802 8.662 1.00 3.34 C ATOM 261 CG1 ILE A 29 10.193 -15.812 7.127 1.00 43.55 C ATOM 262 CG2 ILE A 29 11.776 -15.788 9.089 1.00 65.51 C ATOM 263 CD1 ILE A 29 10.826 -14.618 6.435 1.00 23.42 C ATOM 0 H ILE A 29 7.863 -15.862 8.785 1.00 4.35 H new ATOM 0 HA ILE A 29 9.746 -17.894 8.683 1.00 54.03 H new ATOM 0 HB ILE A 29 9.877 -14.884 9.044 1.00 3.34 H new ATOM 0 HG12 ILE A 29 10.650 -16.724 6.742 1.00 43.55 H new ATOM 0 HG13 ILE A 29 9.136 -15.850 6.865 1.00 43.55 H new ATOM 0 HG21 ILE A 29 12.281 -14.935 8.634 1.00 65.51 H new ATOM 0 HG22 ILE A 29 11.835 -15.708 10.174 1.00 65.51 H new ATOM 0 HG23 ILE A 29 12.259 -16.710 8.766 1.00 65.51 H new ATOM 0 HD11 ILE A 29 10.688 -14.707 5.357 1.00 23.42 H new ATOM 0 HD12 ILE A 29 10.354 -13.701 6.787 1.00 23.42 H new ATOM 0 HD13 ILE A 29 11.892 -14.588 6.663 1.00 23.42 H new ATOM 275 N GLN A 30 9.560 -16.478 11.626 1.00 42.32 N ATOM 276 CA GLN A 30 9.919 -16.593 13.020 1.00 61.00 C ATOM 277 C GLN A 30 9.105 -17.662 13.759 1.00 2.12 C ATOM 278 O GLN A 30 9.621 -18.352 14.618 1.00 2.34 O ATOM 279 CB GLN A 30 9.738 -15.237 13.668 1.00 13.00 C ATOM 280 CG GLN A 30 10.819 -14.248 13.286 1.00 24.50 C ATOM 281 CD GLN A 30 10.408 -12.833 13.553 1.00 63.43 C ATOM 282 OE1 GLN A 30 10.589 -12.309 14.651 1.00 50.14 O ATOM 283 NE2 GLN A 30 9.842 -12.219 12.568 1.00 2.42 N ATOM 0 H GLN A 30 8.942 -15.693 11.420 1.00 42.32 H new ATOM 0 HA GLN A 30 10.958 -16.915 13.084 1.00 61.00 H new ATOM 0 HB2 GLN A 30 8.767 -14.832 13.384 1.00 13.00 H new ATOM 0 HB3 GLN A 30 9.730 -15.357 14.751 1.00 13.00 H new ATOM 0 HG2 GLN A 30 11.728 -14.472 13.844 1.00 24.50 H new ATOM 0 HG3 GLN A 30 11.057 -14.362 12.229 1.00 24.50 H new ATOM 0 HE21 GLN A 30 9.714 -12.696 11.676 1.00 2.42 H new ATOM 0 HE22 GLN A 30 9.523 -11.257 12.682 1.00 2.42 H new ATOM 292 N GLU A 31 7.853 -17.802 13.399 1.00 53.11 N ATOM 293 CA GLU A 31 6.935 -18.688 14.101 1.00 24.34 C ATOM 294 C GLU A 31 7.095 -20.156 13.654 1.00 35.54 C ATOM 295 O GLU A 31 6.758 -21.084 14.387 1.00 4.32 O ATOM 296 CB GLU A 31 5.512 -18.188 13.889 1.00 12.41 C ATOM 297 CG GLU A 31 4.489 -18.780 14.816 1.00 41.34 C ATOM 298 CD GLU A 31 3.140 -18.163 14.622 1.00 15.43 C ATOM 299 OE1 GLU A 31 2.926 -17.029 15.090 1.00 33.44 O ATOM 300 OE2 GLU A 31 2.251 -18.811 14.029 1.00 35.23 O ATOM 0 H GLU A 31 7.434 -17.308 12.611 1.00 53.11 H new ATOM 0 HA GLU A 31 7.169 -18.671 15.165 1.00 24.34 H new ATOM 0 HB2 GLU A 31 5.502 -17.104 14.005 1.00 12.41 H new ATOM 0 HB3 GLU A 31 5.217 -18.401 12.862 1.00 12.41 H new ATOM 0 HG2 GLU A 31 4.425 -19.855 14.647 1.00 41.34 H new ATOM 0 HG3 GLU A 31 4.809 -18.638 15.848 1.00 41.34 H new ATOM 307 N LEU A 32 7.568 -20.349 12.445 1.00 71.02 N ATOM 308 CA LEU A 32 7.868 -21.674 11.931 1.00 64.24 C ATOM 309 C LEU A 32 9.306 -22.048 12.231 1.00 1.42 C ATOM 310 O LEU A 32 9.710 -23.183 12.002 1.00 34.44 O ATOM 311 CB LEU A 32 7.636 -21.744 10.413 1.00 14.14 C ATOM 312 CG LEU A 32 6.189 -21.894 9.898 1.00 4.24 C ATOM 313 CD1 LEU A 32 5.266 -20.771 10.341 1.00 55.44 C ATOM 314 CD2 LEU A 32 6.194 -22.015 8.397 1.00 73.13 C ATOM 0 H LEU A 32 7.757 -19.594 11.786 1.00 71.02 H new ATOM 0 HA LEU A 32 7.198 -22.377 12.425 1.00 64.24 H new ATOM 0 HB2 LEU A 32 8.054 -20.839 9.971 1.00 14.14 H new ATOM 0 HB3 LEU A 32 8.214 -22.583 10.027 1.00 14.14 H new ATOM 0 HG LEU A 32 5.788 -22.803 10.345 1.00 4.24 H new ATOM 0 HD11 LEU A 32 4.266 -20.943 9.942 1.00 55.44 H new ATOM 0 HD12 LEU A 32 5.222 -20.744 11.430 1.00 55.44 H new ATOM 0 HD13 LEU A 32 5.646 -19.819 9.969 1.00 55.44 H new ATOM 0 HD21 LEU A 32 5.171 -22.121 8.037 1.00 73.13 H new ATOM 0 HD22 LEU A 32 6.641 -21.122 7.961 1.00 73.13 H new ATOM 0 HD23 LEU A 32 6.774 -22.890 8.104 1.00 73.13 H new ATOM 326 N ASN A 33 10.066 -21.069 12.753 1.00 74.20 N ATOM 327 CA ASN A 33 11.506 -21.222 13.050 1.00 4.43 C ATOM 328 C ASN A 33 12.237 -21.535 11.729 1.00 42.21 C ATOM 329 O ASN A 33 13.088 -22.429 11.628 1.00 21.34 O ATOM 330 CB ASN A 33 11.733 -22.332 14.119 1.00 1.41 C ATOM 331 CG ASN A 33 13.149 -22.352 14.716 1.00 4.23 C ATOM 332 OD1 ASN A 33 13.419 -21.711 15.723 1.00 54.13 O ATOM 333 ND2 ASN A 33 14.048 -23.080 14.109 1.00 21.13 N ATOM 0 H ASN A 33 9.700 -20.145 12.982 1.00 74.20 H new ATOM 0 HA ASN A 33 11.908 -20.301 13.471 1.00 4.43 H new ATOM 0 HB2 ASN A 33 11.013 -22.196 14.926 1.00 1.41 H new ATOM 0 HB3 ASN A 33 11.527 -23.303 13.668 1.00 1.41 H new ATOM 0 HD21 ASN A 33 15.000 -23.123 14.473 1.00 21.13 H new ATOM 0 HD22 ASN A 33 13.798 -23.605 13.271 1.00 21.13 H new ATOM 340 N LEU A 34 11.894 -20.774 10.723 1.00 44.20 N ATOM 341 CA LEU A 34 12.426 -20.954 9.404 1.00 34.33 C ATOM 342 C LEU A 34 13.234 -19.756 8.998 1.00 3.45 C ATOM 343 O LEU A 34 13.233 -18.733 9.671 1.00 14.23 O ATOM 344 CB LEU A 34 11.303 -21.221 8.389 1.00 33.32 C ATOM 345 CG LEU A 34 11.264 -22.629 7.800 1.00 54.23 C ATOM 346 CD1 LEU A 34 11.150 -23.678 8.890 1.00 71.30 C ATOM 347 CD2 LEU A 34 10.130 -22.759 6.805 1.00 20.52 C ATOM 0 H LEU A 34 11.230 -20.004 10.801 1.00 44.20 H new ATOM 0 HA LEU A 34 13.081 -21.825 9.417 1.00 34.33 H new ATOM 0 HB2 LEU A 34 10.347 -21.023 8.873 1.00 33.32 H new ATOM 0 HB3 LEU A 34 11.401 -20.507 7.571 1.00 33.32 H new ATOM 0 HG LEU A 34 12.203 -22.799 7.274 1.00 54.23 H new ATOM 0 HD11 LEU A 34 11.124 -24.670 8.439 1.00 71.30 H new ATOM 0 HD12 LEU A 34 12.009 -23.605 9.557 1.00 71.30 H new ATOM 0 HD13 LEU A 34 10.234 -23.514 9.458 1.00 71.30 H new ATOM 0 HD21 LEU A 34 10.119 -23.769 6.396 1.00 20.52 H new ATOM 0 HD22 LEU A 34 9.182 -22.559 7.305 1.00 20.52 H new ATOM 0 HD23 LEU A 34 10.272 -22.042 5.996 1.00 20.52 H new ATOM 359 N THR A 35 13.928 -19.876 7.914 1.00 51.14 N ATOM 360 CA THR A 35 14.734 -18.808 7.445 1.00 3.14 C ATOM 361 C THR A 35 14.066 -18.196 6.197 1.00 75.45 C ATOM 362 O THR A 35 13.286 -18.883 5.521 1.00 50.00 O ATOM 363 CB THR A 35 16.180 -19.312 7.169 1.00 52.51 C ATOM 364 OG1 THR A 35 16.170 -20.292 6.138 1.00 15.02 O ATOM 365 CG2 THR A 35 16.749 -19.954 8.428 1.00 32.14 C ATOM 0 H THR A 35 13.950 -20.715 7.334 1.00 51.14 H new ATOM 0 HA THR A 35 14.817 -18.026 8.199 1.00 3.14 H new ATOM 0 HB THR A 35 16.790 -18.460 6.867 1.00 52.51 H new ATOM 0 HG1 THR A 35 15.993 -21.174 6.527 1.00 15.02 H new ATOM 0 HG21 THR A 35 17.762 -20.306 8.231 1.00 32.14 H new ATOM 0 HG22 THR A 35 16.770 -19.220 9.233 1.00 32.14 H new ATOM 0 HG23 THR A 35 16.123 -20.797 8.722 1.00 32.14 H new ATOM 373 N PRO A 36 14.336 -16.901 5.886 1.00 64.12 N ATOM 374 CA PRO A 36 13.688 -16.168 4.768 1.00 3.31 C ATOM 375 C PRO A 36 13.652 -16.910 3.419 1.00 63.40 C ATOM 376 O PRO A 36 12.662 -16.843 2.708 1.00 71.11 O ATOM 377 CB PRO A 36 14.528 -14.899 4.651 1.00 63.34 C ATOM 378 CG PRO A 36 15.030 -14.661 6.029 1.00 52.53 C ATOM 379 CD PRO A 36 15.274 -16.022 6.626 1.00 24.54 C ATOM 0 HA PRO A 36 12.632 -16.010 4.987 1.00 3.31 H new ATOM 0 HB2 PRO A 36 15.349 -15.029 3.946 1.00 63.34 H new ATOM 0 HB3 PRO A 36 13.932 -14.059 4.294 1.00 63.34 H new ATOM 0 HG2 PRO A 36 15.947 -14.072 6.013 1.00 52.53 H new ATOM 0 HG3 PRO A 36 14.303 -14.102 6.618 1.00 52.53 H new ATOM 0 HD2 PRO A 36 16.309 -16.338 6.494 1.00 24.54 H new ATOM 0 HD3 PRO A 36 15.072 -16.032 7.697 1.00 24.54 H new ATOM 387 N GLN A 37 14.715 -17.624 3.089 1.00 52.44 N ATOM 388 CA GLN A 37 14.792 -18.311 1.796 1.00 73.40 C ATOM 389 C GLN A 37 14.322 -19.754 1.896 1.00 34.21 C ATOM 390 O GLN A 37 14.102 -20.414 0.893 1.00 4.41 O ATOM 391 CB GLN A 37 16.208 -18.242 1.225 1.00 20.44 C ATOM 392 CG GLN A 37 16.685 -16.826 0.925 1.00 10.44 C ATOM 393 CD GLN A 37 18.097 -16.783 0.366 1.00 12.01 C ATOM 394 OE1 GLN A 37 18.546 -17.700 -0.293 1.00 31.12 O ATOM 395 NE2 GLN A 37 18.801 -15.707 0.622 1.00 23.41 N ATOM 0 H GLN A 37 15.532 -17.747 3.687 1.00 52.44 H new ATOM 0 HA GLN A 37 14.119 -17.793 1.112 1.00 73.40 H new ATOM 0 HB2 GLN A 37 16.897 -18.705 1.932 1.00 20.44 H new ATOM 0 HB3 GLN A 37 16.249 -18.830 0.308 1.00 20.44 H new ATOM 0 HG2 GLN A 37 16.003 -16.362 0.212 1.00 10.44 H new ATOM 0 HG3 GLN A 37 16.643 -16.233 1.839 1.00 10.44 H new ATOM 0 HE21 GLN A 37 18.397 -14.954 1.178 1.00 23.41 H new ATOM 0 HE22 GLN A 37 19.753 -15.623 0.265 1.00 23.41 H new ATOM 404 N GLN A 38 14.163 -20.230 3.108 1.00 25.13 N ATOM 405 CA GLN A 38 13.713 -21.566 3.346 1.00 74.21 C ATOM 406 C GLN A 38 12.203 -21.573 3.264 1.00 44.42 C ATOM 407 O GLN A 38 11.580 -22.553 2.840 1.00 61.42 O ATOM 408 CB GLN A 38 14.162 -21.971 4.724 1.00 41.03 C ATOM 409 CG GLN A 38 13.972 -23.409 5.076 1.00 11.20 C ATOM 410 CD GLN A 38 14.471 -23.699 6.476 1.00 32.12 C ATOM 411 OE1 GLN A 38 15.380 -23.029 6.972 1.00 72.12 O ATOM 412 NE2 GLN A 38 13.905 -24.686 7.119 1.00 31.14 N ATOM 0 H GLN A 38 14.345 -19.693 3.956 1.00 25.13 H new ATOM 0 HA GLN A 38 14.119 -22.263 2.613 1.00 74.21 H new ATOM 0 HB2 GLN A 38 15.220 -21.729 4.826 1.00 41.03 H new ATOM 0 HB3 GLN A 38 13.624 -21.365 5.453 1.00 41.03 H new ATOM 0 HG2 GLN A 38 12.916 -23.668 5.002 1.00 11.20 H new ATOM 0 HG3 GLN A 38 14.504 -24.035 4.360 1.00 11.20 H new ATOM 0 HE21 GLN A 38 13.156 -25.219 6.678 1.00 31.14 H new ATOM 0 HE22 GLN A 38 14.213 -24.923 8.062 1.00 31.14 H new ATOM 421 N LEU A 39 11.611 -20.466 3.664 1.00 40.32 N ATOM 422 CA LEU A 39 10.198 -20.332 3.604 1.00 41.55 C ATOM 423 C LEU A 39 9.837 -19.761 2.239 1.00 21.22 C ATOM 424 O LEU A 39 9.727 -18.539 2.048 1.00 10.41 O ATOM 425 CB LEU A 39 9.661 -19.464 4.763 1.00 61.11 C ATOM 426 CG LEU A 39 8.191 -19.671 5.181 1.00 2.24 C ATOM 427 CD1 LEU A 39 7.871 -18.833 6.389 1.00 51.44 C ATOM 428 CD2 LEU A 39 7.232 -19.344 4.065 1.00 62.23 C ATOM 0 H LEU A 39 12.102 -19.652 4.033 1.00 40.32 H new ATOM 0 HA LEU A 39 9.724 -21.306 3.724 1.00 41.55 H new ATOM 0 HB2 LEU A 39 10.288 -19.643 5.636 1.00 61.11 H new ATOM 0 HB3 LEU A 39 9.789 -18.417 4.487 1.00 61.11 H new ATOM 0 HG LEU A 39 8.070 -20.727 5.423 1.00 2.24 H new ATOM 0 HD11 LEU A 39 6.830 -18.988 6.674 1.00 51.44 H new ATOM 0 HD12 LEU A 39 8.521 -19.122 7.215 1.00 51.44 H new ATOM 0 HD13 LEU A 39 8.030 -17.781 6.154 1.00 51.44 H new ATOM 0 HD21 LEU A 39 6.209 -19.505 4.406 1.00 62.23 H new ATOM 0 HD22 LEU A 39 7.357 -18.302 3.771 1.00 62.23 H new ATOM 0 HD23 LEU A 39 7.435 -19.989 3.210 1.00 62.23 H new ATOM 440 N HIS A 40 9.786 -20.650 1.300 1.00 32.31 N ATOM 441 CA HIS A 40 9.379 -20.377 -0.053 1.00 0.23 C ATOM 442 C HIS A 40 7.864 -20.211 -0.109 1.00 52.43 C ATOM 443 O HIS A 40 7.141 -20.855 0.658 1.00 21.35 O ATOM 444 CB HIS A 40 9.857 -21.545 -0.950 1.00 4.33 C ATOM 445 CG HIS A 40 9.241 -21.641 -2.324 1.00 32.42 C ATOM 446 ND1 HIS A 40 8.362 -22.639 -2.679 1.00 20.43 N ATOM 447 CD2 HIS A 40 9.401 -20.874 -3.428 1.00 60.53 C ATOM 448 CE1 HIS A 40 8.019 -22.459 -3.954 1.00 12.43 C ATOM 449 NE2 HIS A 40 8.619 -21.401 -4.458 1.00 34.21 N ATOM 0 H HIS A 40 10.035 -21.627 1.454 1.00 32.31 H new ATOM 0 HA HIS A 40 9.825 -19.450 -0.413 1.00 0.23 H new ATOM 0 HB2 HIS A 40 10.938 -21.464 -1.067 1.00 4.33 H new ATOM 0 HB3 HIS A 40 9.662 -22.480 -0.424 1.00 4.33 H new ATOM 0 HD2 HIS A 40 10.030 -19.999 -3.500 1.00 60.53 H new ATOM 0 HE1 HIS A 40 7.340 -23.096 -4.501 1.00 12.43 H new ATOM 0 HE2 HIS A 40 8.531 -21.040 -5.408 1.00 34.21 H new ATOM 457 N GLU A 41 7.429 -19.350 -1.013 1.00 2.40 N ATOM 458 CA GLU A 41 6.044 -19.014 -1.292 1.00 1.10 C ATOM 459 C GLU A 41 5.118 -20.222 -1.234 1.00 42.23 C ATOM 460 O GLU A 41 4.300 -20.342 -0.327 1.00 52.44 O ATOM 461 CB GLU A 41 5.928 -18.371 -2.698 1.00 33.51 C ATOM 462 CG GLU A 41 6.381 -16.902 -2.849 1.00 35.03 C ATOM 463 CD GLU A 41 7.861 -16.597 -2.597 1.00 4.21 C ATOM 464 OE1 GLU A 41 8.662 -17.512 -2.321 1.00 63.01 O ATOM 465 OE2 GLU A 41 8.219 -15.410 -2.620 1.00 31.11 O ATOM 0 H GLU A 41 8.076 -18.834 -1.610 1.00 2.40 H new ATOM 0 HA GLU A 41 5.733 -18.315 -0.516 1.00 1.10 H new ATOM 0 HB2 GLU A 41 6.510 -18.976 -3.394 1.00 33.51 H new ATOM 0 HB3 GLU A 41 4.887 -18.436 -3.013 1.00 33.51 H new ATOM 0 HG2 GLU A 41 6.136 -16.575 -3.859 1.00 35.03 H new ATOM 0 HG3 GLU A 41 5.789 -16.294 -2.165 1.00 35.03 H new ATOM 472 N GLU A 42 5.290 -21.135 -2.161 1.00 33.03 N ATOM 473 CA GLU A 42 4.392 -22.265 -2.270 1.00 2.53 C ATOM 474 C GLU A 42 4.865 -23.498 -1.510 1.00 73.13 C ATOM 475 O GLU A 42 4.516 -24.629 -1.848 1.00 71.35 O ATOM 476 CB GLU A 42 4.039 -22.570 -3.727 1.00 35.51 C ATOM 477 CG GLU A 42 3.252 -21.443 -4.400 1.00 24.24 C ATOM 478 CD GLU A 42 1.993 -21.063 -3.623 1.00 23.41 C ATOM 479 OE1 GLU A 42 0.924 -21.638 -3.869 1.00 4.52 O ATOM 480 OE2 GLU A 42 2.076 -20.182 -2.741 1.00 40.03 O ATOM 0 H GLU A 42 6.042 -21.119 -2.850 1.00 33.03 H new ATOM 0 HA GLU A 42 3.470 -21.965 -1.772 1.00 2.53 H new ATOM 0 HB2 GLU A 42 4.956 -22.750 -4.287 1.00 35.51 H new ATOM 0 HB3 GLU A 42 3.455 -23.489 -3.769 1.00 35.51 H new ATOM 0 HG2 GLU A 42 3.892 -20.566 -4.499 1.00 24.24 H new ATOM 0 HG3 GLU A 42 2.974 -21.750 -5.408 1.00 24.24 H new ATOM 487 N SER A 43 5.641 -23.289 -0.488 1.00 61.05 N ATOM 488 CA SER A 43 5.985 -24.365 0.381 1.00 32.21 C ATOM 489 C SER A 43 4.918 -24.466 1.474 1.00 22.50 C ATOM 490 O SER A 43 4.580 -23.464 2.105 1.00 54.01 O ATOM 491 CB SER A 43 7.376 -24.157 0.955 1.00 54.00 C ATOM 492 OG SER A 43 8.340 -24.142 -0.100 1.00 41.03 O ATOM 0 H SER A 43 6.044 -22.386 -0.240 1.00 61.05 H new ATOM 0 HA SER A 43 6.011 -25.306 -0.168 1.00 32.21 H new ATOM 0 HB2 SER A 43 7.414 -23.218 1.508 1.00 54.00 H new ATOM 0 HB3 SER A 43 7.610 -24.953 1.662 1.00 54.00 H new ATOM 0 HG SER A 43 8.024 -23.562 -0.824 1.00 41.03 H new ATOM 498 N ASN A 44 4.361 -25.672 1.639 1.00 74.30 N ATOM 499 CA ASN A 44 3.289 -25.949 2.617 1.00 64.53 C ATOM 500 C ASN A 44 3.702 -25.466 4.001 1.00 35.52 C ATOM 501 O ASN A 44 4.670 -25.958 4.559 1.00 22.52 O ATOM 502 CB ASN A 44 3.020 -27.461 2.706 1.00 1.21 C ATOM 503 CG ASN A 44 1.758 -27.820 3.517 1.00 62.11 C ATOM 504 OD1 ASN A 44 1.360 -27.116 4.435 1.00 54.51 O ATOM 505 ND2 ASN A 44 1.156 -28.935 3.211 1.00 72.11 N ATOM 0 H ASN A 44 4.639 -26.491 1.098 1.00 74.30 H new ATOM 0 HA ASN A 44 2.392 -25.427 2.284 1.00 64.53 H new ATOM 0 HB2 ASN A 44 2.920 -27.863 1.698 1.00 1.21 H new ATOM 0 HB3 ASN A 44 3.883 -27.949 3.159 1.00 1.21 H new ATOM 0 HD21 ASN A 44 0.337 -29.235 3.741 1.00 72.11 H new ATOM 0 HD22 ASN A 44 1.504 -29.508 2.442 1.00 72.11 H new ATOM 512 N LEU A 45 2.942 -24.546 4.557 1.00 33.23 N ATOM 513 CA LEU A 45 3.264 -23.962 5.854 1.00 52.40 C ATOM 514 C LEU A 45 3.058 -24.946 6.983 1.00 54.01 C ATOM 515 O LEU A 45 3.816 -24.958 7.946 1.00 51.32 O ATOM 516 CB LEU A 45 2.443 -22.711 6.093 1.00 35.14 C ATOM 517 CG LEU A 45 2.619 -21.619 5.054 1.00 4.31 C ATOM 518 CD1 LEU A 45 1.731 -20.442 5.375 1.00 1.25 C ATOM 519 CD2 LEU A 45 4.074 -21.184 4.968 1.00 54.21 C ATOM 0 H LEU A 45 2.090 -24.181 4.132 1.00 33.23 H new ATOM 0 HA LEU A 45 4.321 -23.697 5.836 1.00 52.40 H new ATOM 0 HB2 LEU A 45 1.390 -22.988 6.132 1.00 35.14 H new ATOM 0 HB3 LEU A 45 2.702 -22.306 7.071 1.00 35.14 H new ATOM 0 HG LEU A 45 2.328 -22.019 4.083 1.00 4.31 H new ATOM 0 HD11 LEU A 45 1.868 -19.667 4.621 1.00 1.25 H new ATOM 0 HD12 LEU A 45 0.689 -20.763 5.380 1.00 1.25 H new ATOM 0 HD13 LEU A 45 1.993 -20.045 6.356 1.00 1.25 H new ATOM 0 HD21 LEU A 45 4.176 -20.401 4.217 1.00 54.21 H new ATOM 0 HD22 LEU A 45 4.398 -20.802 5.936 1.00 54.21 H new ATOM 0 HD23 LEU A 45 4.693 -22.037 4.689 1.00 54.21 H new ATOM 531 N ILE A 46 2.065 -25.790 6.843 1.00 60.01 N ATOM 532 CA ILE A 46 1.757 -26.789 7.867 1.00 32.53 C ATOM 533 C ILE A 46 2.895 -27.804 7.934 1.00 22.14 C ATOM 534 O ILE A 46 3.365 -28.171 9.003 1.00 20.54 O ATOM 535 CB ILE A 46 0.403 -27.506 7.587 1.00 4.15 C ATOM 536 CG1 ILE A 46 -0.736 -26.471 7.537 1.00 1.14 C ATOM 537 CG2 ILE A 46 0.117 -28.578 8.647 1.00 40.10 C ATOM 538 CD1 ILE A 46 -2.109 -27.062 7.271 1.00 65.42 C ATOM 0 H ILE A 46 1.448 -25.814 6.031 1.00 60.01 H new ATOM 0 HA ILE A 46 1.657 -26.281 8.826 1.00 32.53 H new ATOM 0 HB ILE A 46 0.468 -28.006 6.621 1.00 4.15 H new ATOM 0 HG12 ILE A 46 -0.763 -25.932 8.484 1.00 1.14 H new ATOM 0 HG13 ILE A 46 -0.512 -25.739 6.761 1.00 1.14 H new ATOM 0 HG21 ILE A 46 -0.834 -29.063 8.427 1.00 40.10 H new ATOM 0 HG22 ILE A 46 0.914 -29.322 8.637 1.00 40.10 H new ATOM 0 HG23 ILE A 46 0.068 -28.112 9.631 1.00 40.10 H new ATOM 0 HD11 ILE A 46 -2.851 -26.264 7.252 1.00 65.42 H new ATOM 0 HD12 ILE A 46 -2.104 -27.576 6.310 1.00 65.42 H new ATOM 0 HD13 ILE A 46 -2.359 -27.771 8.060 1.00 65.42 H new ATOM 550 N GLN A 47 3.373 -28.172 6.771 1.00 44.33 N ATOM 551 CA GLN A 47 4.483 -29.106 6.631 1.00 44.22 C ATOM 552 C GLN A 47 5.836 -28.436 6.909 1.00 4.03 C ATOM 553 O GLN A 47 6.858 -29.104 6.987 1.00 70.23 O ATOM 554 CB GLN A 47 4.453 -29.755 5.243 1.00 50.11 C ATOM 555 CG GLN A 47 3.450 -30.885 5.089 1.00 21.01 C ATOM 556 CD GLN A 47 3.534 -31.547 3.725 1.00 24.51 C ATOM 557 OE1 GLN A 47 2.865 -31.145 2.780 1.00 74.11 O ATOM 558 NE2 GLN A 47 4.353 -32.561 3.614 1.00 60.04 N ATOM 0 H GLN A 47 3.005 -27.833 5.882 1.00 44.33 H new ATOM 0 HA GLN A 47 4.363 -29.887 7.382 1.00 44.22 H new ATOM 0 HB2 GLN A 47 4.230 -28.987 4.503 1.00 50.11 H new ATOM 0 HB3 GLN A 47 5.448 -30.138 5.015 1.00 50.11 H new ATOM 0 HG2 GLN A 47 3.625 -31.631 5.864 1.00 21.01 H new ATOM 0 HG3 GLN A 47 2.443 -30.497 5.241 1.00 21.01 H new ATOM 0 HE21 GLN A 47 4.895 -32.870 4.421 1.00 60.04 H new ATOM 0 HE22 GLN A 47 4.450 -33.043 2.720 1.00 60.04 H new ATOM 567 N ALA A 48 5.827 -27.119 7.024 1.00 71.41 N ATOM 568 CA ALA A 48 7.030 -26.367 7.316 1.00 43.43 C ATOM 569 C ALA A 48 7.163 -26.120 8.820 1.00 62.24 C ATOM 570 O ALA A 48 8.253 -26.209 9.372 1.00 62.35 O ATOM 571 CB ALA A 48 7.041 -25.052 6.546 1.00 54.14 C ATOM 0 H ALA A 48 4.990 -26.546 6.918 1.00 71.41 H new ATOM 0 HA ALA A 48 7.889 -26.956 6.994 1.00 43.43 H new ATOM 0 HB1 ALA A 48 7.953 -24.502 6.779 1.00 54.14 H new ATOM 0 HB2 ALA A 48 7.004 -25.257 5.476 1.00 54.14 H new ATOM 0 HB3 ALA A 48 6.174 -24.456 6.832 1.00 54.14 H new ATOM 577 N GLY A 49 6.050 -25.801 9.475 1.00 43.24 N ATOM 578 CA GLY A 49 6.087 -25.601 10.910 1.00 12.01 C ATOM 579 C GLY A 49 4.921 -24.780 11.430 1.00 25.54 C ATOM 580 O GLY A 49 5.105 -23.872 12.245 1.00 20.45 O ATOM 0 H GLY A 49 5.134 -25.679 9.043 1.00 43.24 H new ATOM 0 HA2 GLY A 49 6.089 -26.572 11.406 1.00 12.01 H new ATOM 0 HA3 GLY A 49 7.020 -25.105 11.177 1.00 12.01 H new ATOM 584 N LEU A 50 3.732 -25.113 10.998 1.00 55.42 N ATOM 585 CA LEU A 50 2.510 -24.416 11.391 1.00 53.01 C ATOM 586 C LEU A 50 1.483 -25.478 11.590 1.00 55.04 C ATOM 587 O LEU A 50 1.508 -26.484 10.899 1.00 21.32 O ATOM 588 CB LEU A 50 2.071 -23.461 10.268 1.00 23.50 C ATOM 589 CG LEU A 50 0.989 -22.442 10.619 1.00 41.34 C ATOM 590 CD1 LEU A 50 1.530 -21.419 11.601 1.00 15.44 C ATOM 591 CD2 LEU A 50 0.472 -21.755 9.371 1.00 11.22 C ATOM 0 H LEU A 50 3.571 -25.886 10.353 1.00 55.42 H new ATOM 0 HA LEU A 50 2.654 -23.823 12.294 1.00 53.01 H new ATOM 0 HB2 LEU A 50 2.950 -22.918 9.920 1.00 23.50 H new ATOM 0 HB3 LEU A 50 1.715 -24.061 9.431 1.00 23.50 H new ATOM 0 HG LEU A 50 0.158 -22.970 11.086 1.00 41.34 H new ATOM 0 HD11 LEU A 50 0.749 -20.698 11.843 1.00 15.44 H new ATOM 0 HD12 LEU A 50 1.853 -21.924 12.512 1.00 15.44 H new ATOM 0 HD13 LEU A 50 2.378 -20.899 11.155 1.00 15.44 H new ATOM 0 HD21 LEU A 50 -0.298 -21.034 9.645 1.00 11.22 H new ATOM 0 HD22 LEU A 50 1.293 -21.238 8.873 1.00 11.22 H new ATOM 0 HD23 LEU A 50 0.049 -22.498 8.695 1.00 11.22 H new ATOM 603 N ASP A 51 0.622 -25.291 12.524 1.00 24.12 N ATOM 604 CA ASP A 51 -0.352 -26.273 12.844 1.00 71.13 C ATOM 605 C ASP A 51 -1.714 -25.712 12.658 1.00 42.22 C ATOM 606 O ASP A 51 -1.862 -24.508 12.493 1.00 74.41 O ATOM 607 CB ASP A 51 -0.183 -26.750 14.299 1.00 5.01 C ATOM 608 CG ASP A 51 -0.080 -25.596 15.288 1.00 25.43 C ATOM 609 OD1 ASP A 51 -1.082 -24.896 15.541 1.00 4.33 O ATOM 610 OD2 ASP A 51 1.056 -25.330 15.762 1.00 34.14 O ATOM 0 H ASP A 51 0.572 -24.446 13.093 1.00 24.12 H new ATOM 0 HA ASP A 51 -0.216 -27.125 12.178 1.00 71.13 H new ATOM 0 HB2 ASP A 51 -1.029 -27.381 14.571 1.00 5.01 H new ATOM 0 HB3 ASP A 51 0.712 -27.367 14.373 1.00 5.01 H new ATOM 667 N ILE A 53 -4.382 -25.117 14.612 1.00 24.20 N ATOM 668 CA ILE A 53 -4.702 -24.006 15.495 1.00 54.42 C ATOM 669 C ILE A 53 -3.997 -22.710 15.078 1.00 62.51 C ATOM 670 O ILE A 53 -4.660 -21.660 14.949 1.00 24.51 O ATOM 671 CB ILE A 53 -4.338 -24.344 16.956 1.00 24.41 C ATOM 672 CG1 ILE A 53 -5.159 -25.555 17.449 1.00 54.50 C ATOM 673 CG2 ILE A 53 -4.539 -23.129 17.881 1.00 1.40 C ATOM 674 CD1 ILE A 53 -6.679 -25.358 17.397 1.00 45.21 C ATOM 0 HA ILE A 53 -5.777 -23.845 15.415 1.00 54.42 H new ATOM 0 HB ILE A 53 -3.281 -24.607 16.988 1.00 24.41 H new ATOM 0 HG12 ILE A 53 -4.897 -26.425 16.846 1.00 54.50 H new ATOM 0 HG13 ILE A 53 -4.870 -25.780 18.475 1.00 54.50 H new ATOM 0 HG21 ILE A 53 -4.274 -23.402 18.902 1.00 1.40 H new ATOM 0 HG22 ILE A 53 -3.903 -22.309 17.547 1.00 1.40 H new ATOM 0 HG23 ILE A 53 -5.583 -22.816 17.849 1.00 1.40 H new ATOM 0 HD11 ILE A 53 -7.175 -26.258 17.761 1.00 45.21 H new ATOM 0 HD12 ILE A 53 -6.958 -24.511 18.024 1.00 45.21 H new ATOM 0 HD13 ILE A 53 -6.986 -25.165 16.369 1.00 45.21 H new ATOM 686 N ARG A 54 -2.679 -22.761 14.832 1.00 4.00 N ATOM 687 CA ARG A 54 -1.974 -21.583 14.416 1.00 32.54 C ATOM 688 C ARG A 54 -2.428 -21.080 13.081 1.00 2.35 C ATOM 689 O ARG A 54 -2.453 -19.882 12.851 1.00 55.04 O ATOM 690 CB ARG A 54 -0.513 -21.775 14.443 1.00 71.33 C ATOM 691 CG ARG A 54 0.031 -21.636 15.816 1.00 3.33 C ATOM 692 CD ARG A 54 1.498 -21.621 15.761 1.00 61.21 C ATOM 693 NE ARG A 54 2.030 -22.927 15.430 1.00 73.23 N ATOM 694 CZ ARG A 54 3.147 -23.172 14.782 1.00 53.44 C ATOM 695 NH1 ARG A 54 3.868 -22.180 14.265 1.00 73.33 N ATOM 696 NH2 ARG A 54 3.516 -24.429 14.617 1.00 15.33 N ATOM 0 H ARG A 54 -2.105 -23.600 14.918 1.00 4.00 H new ATOM 0 HA ARG A 54 -2.220 -20.812 15.146 1.00 32.54 H new ATOM 0 HB2 ARG A 54 -0.268 -22.763 14.052 1.00 71.33 H new ATOM 0 HB3 ARG A 54 -0.037 -21.046 13.787 1.00 71.33 H new ATOM 0 HG2 ARG A 54 -0.336 -20.717 16.273 1.00 3.33 H new ATOM 0 HG3 ARG A 54 -0.312 -22.461 16.440 1.00 3.33 H new ATOM 0 HD2 ARG A 54 1.828 -20.894 15.019 1.00 61.21 H new ATOM 0 HD3 ARG A 54 1.896 -21.298 16.723 1.00 61.21 H new ATOM 0 HE ARG A 54 1.485 -23.735 15.729 1.00 73.23 H new ATOM 0 HH11 ARG A 54 3.556 -21.215 14.369 1.00 73.33 H new ATOM 0 HH12 ARG A 54 4.733 -22.385 13.765 1.00 73.33 H new ATOM 0 HH21 ARG A 54 2.938 -25.183 14.989 1.00 15.33 H new ATOM 0 HH22 ARG A 54 4.379 -24.646 14.118 1.00 15.33 H new ATOM 710 N LEU A 55 -2.825 -21.980 12.224 1.00 3.04 N ATOM 711 CA LEU A 55 -3.349 -21.625 10.936 1.00 0.33 C ATOM 712 C LEU A 55 -4.680 -20.916 11.073 1.00 31.34 C ATOM 713 O LEU A 55 -4.920 -19.921 10.405 1.00 22.01 O ATOM 714 CB LEU A 55 -3.528 -22.831 10.043 1.00 40.33 C ATOM 715 CG LEU A 55 -4.124 -22.506 8.685 1.00 40.43 C ATOM 716 CD1 LEU A 55 -3.324 -21.463 7.989 1.00 62.02 C ATOM 717 CD2 LEU A 55 -4.157 -23.689 7.845 1.00 61.52 C ATOM 0 H LEU A 55 -2.794 -22.984 12.401 1.00 3.04 H new ATOM 0 HA LEU A 55 -2.619 -20.958 10.477 1.00 0.33 H new ATOM 0 HB2 LEU A 55 -2.560 -23.311 9.899 1.00 40.33 H new ATOM 0 HB3 LEU A 55 -4.170 -23.553 10.548 1.00 40.33 H new ATOM 0 HG LEU A 55 -5.137 -22.140 8.855 1.00 40.43 H new ATOM 0 HD11 LEU A 55 -3.772 -21.248 7.019 1.00 62.02 H new ATOM 0 HD12 LEU A 55 -3.309 -20.554 8.591 1.00 62.02 H new ATOM 0 HD13 LEU A 55 -2.304 -21.821 7.847 1.00 62.02 H new ATOM 0 HD21 LEU A 55 -4.587 -23.435 6.876 1.00 61.52 H new ATOM 0 HD22 LEU A 55 -3.143 -24.064 7.705 1.00 61.52 H new ATOM 0 HD23 LEU A 55 -4.765 -24.457 8.322 1.00 61.52 H new ATOM 729 N MET A 56 -5.554 -21.419 11.927 1.00 14.11 N ATOM 730 CA MET A 56 -6.831 -20.745 12.137 1.00 61.45 C ATOM 731 C MET A 56 -6.594 -19.398 12.744 1.00 21.45 C ATOM 732 O MET A 56 -7.303 -18.439 12.468 1.00 65.24 O ATOM 733 CB MET A 56 -7.776 -21.514 13.018 1.00 62.43 C ATOM 734 CG MET A 56 -9.038 -20.709 13.333 1.00 21.53 C ATOM 735 SD MET A 56 -9.743 -21.130 14.905 1.00 23.42 S ATOM 736 CE MET A 56 -8.306 -20.787 15.910 1.00 62.55 C ATOM 0 H MET A 56 -5.414 -22.268 12.475 1.00 14.11 H new ATOM 0 HA MET A 56 -7.299 -20.660 11.156 1.00 61.45 H new ATOM 0 HB2 MET A 56 -8.053 -22.447 12.528 1.00 62.43 H new ATOM 0 HB3 MET A 56 -7.272 -21.780 13.947 1.00 62.43 H new ATOM 0 HG2 MET A 56 -8.799 -19.646 13.320 1.00 21.53 H new ATOM 0 HG3 MET A 56 -9.777 -20.879 12.550 1.00 21.53 H new ATOM 0 HE1 MET A 56 -8.624 -20.417 16.885 1.00 62.55 H new ATOM 0 HE2 MET A 56 -7.726 -21.701 16.040 1.00 62.55 H new ATOM 0 HE3 MET A 56 -7.690 -20.033 15.419 1.00 62.55 H new ATOM 746 N ARG A 57 -5.601 -19.336 13.564 1.00 11.34 N ATOM 747 CA ARG A 57 -5.187 -18.118 14.128 1.00 73.04 C ATOM 748 C ARG A 57 -4.721 -17.148 13.020 1.00 54.33 C ATOM 749 O ARG A 57 -4.929 -15.954 13.100 1.00 71.25 O ATOM 750 CB ARG A 57 -4.106 -18.389 15.089 1.00 60.14 C ATOM 751 CG ARG A 57 -3.367 -17.189 15.559 1.00 22.23 C ATOM 752 CD ARG A 57 -2.424 -17.634 16.581 1.00 2.52 C ATOM 753 NE ARG A 57 -1.309 -16.713 16.758 1.00 54.04 N ATOM 754 CZ ARG A 57 -0.112 -16.885 16.157 1.00 25.53 C ATOM 755 NH1 ARG A 57 0.020 -17.791 15.180 1.00 62.24 N ATOM 756 NH2 ARG A 57 0.920 -16.124 16.476 1.00 42.22 N ATOM 0 H ARG A 57 -5.054 -20.145 13.859 1.00 11.34 H new ATOM 0 HA ARG A 57 -6.018 -17.644 14.650 1.00 73.04 H new ATOM 0 HB2 ARG A 57 -4.529 -18.898 15.955 1.00 60.14 H new ATOM 0 HB3 ARG A 57 -3.396 -19.077 14.630 1.00 60.14 H new ATOM 0 HG2 ARG A 57 -2.841 -16.713 14.732 1.00 22.23 H new ATOM 0 HG3 ARG A 57 -4.055 -16.449 15.967 1.00 22.23 H new ATOM 0 HD2 ARG A 57 -2.949 -17.748 17.529 1.00 2.52 H new ATOM 0 HD3 ARG A 57 -2.038 -18.617 16.310 1.00 2.52 H new ATOM 0 HE ARG A 57 -1.438 -15.902 17.363 1.00 54.04 H new ATOM 0 HH11 ARG A 57 -0.783 -18.350 14.891 1.00 62.24 H new ATOM 0 HH12 ARG A 57 0.923 -17.922 14.725 1.00 62.24 H new ATOM 0 HH21 ARG A 57 0.818 -15.397 17.184 1.00 42.22 H new ATOM 0 HH22 ARG A 57 1.819 -16.264 16.015 1.00 42.22 H new ATOM 770 N TRP A 58 -4.128 -17.677 11.962 1.00 34.13 N ATOM 771 CA TRP A 58 -3.762 -16.822 10.872 1.00 11.00 C ATOM 772 C TRP A 58 -4.996 -16.468 10.057 1.00 41.40 C ATOM 773 O TRP A 58 -5.133 -15.361 9.576 1.00 63.31 O ATOM 774 CB TRP A 58 -2.634 -17.413 10.028 1.00 32.21 C ATOM 775 CG TRP A 58 -1.284 -17.288 10.690 1.00 4.32 C ATOM 776 CD1 TRP A 58 -0.476 -18.288 11.150 1.00 51.22 C ATOM 777 CD2 TRP A 58 -0.605 -16.065 10.978 1.00 44.33 C ATOM 778 NE1 TRP A 58 0.677 -17.754 11.689 1.00 34.25 N ATOM 779 CE2 TRP A 58 0.622 -16.387 11.583 1.00 70.01 C ATOM 780 CE3 TRP A 58 -0.917 -14.723 10.766 1.00 13.03 C ATOM 781 CZ2 TRP A 58 1.537 -15.404 11.972 1.00 12.33 C ATOM 782 CZ3 TRP A 58 -0.020 -13.762 11.156 1.00 54.12 C ATOM 783 CH2 TRP A 58 1.189 -14.103 11.743 1.00 12.50 C ATOM 0 H TRP A 58 -3.900 -18.664 11.845 1.00 34.13 H new ATOM 0 HA TRP A 58 -3.356 -15.895 11.277 1.00 11.00 H new ATOM 0 HB2 TRP A 58 -2.843 -18.465 9.835 1.00 32.21 H new ATOM 0 HB3 TRP A 58 -2.608 -16.911 9.061 1.00 32.21 H new ATOM 0 HD1 TRP A 58 -0.705 -19.342 11.099 1.00 51.22 H new ATOM 0 HE1 TRP A 58 1.444 -18.288 12.099 1.00 34.25 H new ATOM 0 HE3 TRP A 58 -1.851 -14.444 10.301 1.00 13.03 H new ATOM 0 HZ2 TRP A 58 2.479 -15.662 12.434 1.00 12.33 H new ATOM 0 HZ3 TRP A 58 -0.260 -12.720 11.003 1.00 54.12 H new ATOM 0 HH2 TRP A 58 1.875 -13.318 12.027 1.00 12.50 H new ATOM 794 N LEU A 59 -5.923 -17.404 9.981 1.00 53.43 N ATOM 795 CA LEU A 59 -7.199 -17.202 9.316 1.00 21.51 C ATOM 796 C LEU A 59 -7.996 -16.098 10.015 1.00 34.42 C ATOM 797 O LEU A 59 -8.602 -15.266 9.359 1.00 73.42 O ATOM 798 CB LEU A 59 -7.996 -18.543 9.254 1.00 1.14 C ATOM 799 CG LEU A 59 -9.396 -18.572 8.556 1.00 24.32 C ATOM 800 CD1 LEU A 59 -10.492 -17.929 9.399 1.00 61.44 C ATOM 801 CD2 LEU A 59 -9.332 -17.925 7.182 1.00 50.40 C ATOM 0 H LEU A 59 -5.812 -18.335 10.382 1.00 53.43 H new ATOM 0 HA LEU A 59 -7.020 -16.878 8.291 1.00 21.51 H new ATOM 0 HB2 LEU A 59 -7.365 -19.276 8.752 1.00 1.14 H new ATOM 0 HB3 LEU A 59 -8.134 -18.889 10.278 1.00 1.14 H new ATOM 0 HG LEU A 59 -9.661 -19.623 8.441 1.00 24.32 H new ATOM 0 HD11 LEU A 59 -11.440 -17.979 8.863 1.00 61.44 H new ATOM 0 HD12 LEU A 59 -10.582 -18.461 10.346 1.00 61.44 H new ATOM 0 HD13 LEU A 59 -10.239 -16.886 9.591 1.00 61.44 H new ATOM 0 HD21 LEU A 59 -10.318 -17.958 6.718 1.00 50.40 H new ATOM 0 HD22 LEU A 59 -9.013 -16.888 7.283 1.00 50.40 H new ATOM 0 HD23 LEU A 59 -8.619 -18.465 6.559 1.00 50.40 H new ATOM 813 N HIS A 60 -7.992 -16.075 11.338 1.00 33.31 N ATOM 814 CA HIS A 60 -8.741 -15.051 12.037 1.00 50.02 C ATOM 815 C HIS A 60 -8.046 -13.677 11.929 1.00 20.01 C ATOM 816 O HIS A 60 -8.680 -12.631 12.018 1.00 14.30 O ATOM 817 CB HIS A 60 -9.204 -15.469 13.485 1.00 15.12 C ATOM 818 CG HIS A 60 -8.171 -15.667 14.559 1.00 75.12 C ATOM 819 ND1 HIS A 60 -8.317 -16.576 15.591 1.00 63.30 N ATOM 820 CD2 HIS A 60 -7.044 -15.012 14.810 1.00 42.04 C ATOM 821 CE1 HIS A 60 -7.287 -16.426 16.421 1.00 32.24 C ATOM 822 NE2 HIS A 60 -6.477 -15.486 15.995 1.00 74.41 N ATOM 0 H HIS A 60 -7.492 -16.735 11.934 1.00 33.31 H new ATOM 0 HA HIS A 60 -9.693 -14.935 11.520 1.00 50.02 H new ATOM 0 HB2 HIS A 60 -9.902 -14.710 13.838 1.00 15.12 H new ATOM 0 HB3 HIS A 60 -9.764 -16.399 13.394 1.00 15.12 H new ATOM 0 HD1 HIS A 60 -9.080 -17.244 15.698 1.00 63.30 H new ATOM 0 HD2 HIS A 60 -6.628 -14.231 14.191 1.00 42.04 H new ATOM 0 HE1 HIS A 60 -7.138 -17.001 17.323 1.00 32.24 H new ATOM 830 N TRP A 61 -6.755 -13.716 11.648 1.00 50.15 N ATOM 831 CA TRP A 61 -5.956 -12.531 11.353 1.00 33.10 C ATOM 832 C TRP A 61 -6.236 -12.089 9.889 1.00 42.35 C ATOM 833 O TRP A 61 -6.048 -10.935 9.522 1.00 72.43 O ATOM 834 CB TRP A 61 -4.468 -12.868 11.597 1.00 44.41 C ATOM 835 CG TRP A 61 -3.465 -11.841 11.157 1.00 1.42 C ATOM 836 CD1 TRP A 61 -2.971 -10.792 11.875 1.00 1.54 C ATOM 837 CD2 TRP A 61 -2.810 -11.807 9.891 1.00 12.14 C ATOM 838 NE1 TRP A 61 -2.054 -10.098 11.113 1.00 24.13 N ATOM 839 CE2 TRP A 61 -1.939 -10.713 9.891 1.00 13.23 C ATOM 840 CE3 TRP A 61 -2.887 -12.605 8.758 1.00 44.55 C ATOM 841 CZ2 TRP A 61 -1.147 -10.402 8.793 1.00 2.04 C ATOM 842 CZ3 TRP A 61 -2.108 -12.299 7.677 1.00 31.53 C ATOM 843 CH2 TRP A 61 -1.251 -11.213 7.697 1.00 52.40 C ATOM 0 H TRP A 61 -6.220 -14.584 11.617 1.00 50.15 H new ATOM 0 HA TRP A 61 -6.219 -11.697 12.003 1.00 33.10 H new ATOM 0 HB2 TRP A 61 -4.329 -13.045 12.664 1.00 44.41 H new ATOM 0 HB3 TRP A 61 -4.243 -13.805 11.087 1.00 44.41 H new ATOM 0 HD1 TRP A 61 -3.255 -10.542 12.887 1.00 1.54 H new ATOM 0 HE1 TRP A 61 -1.545 -9.265 11.409 1.00 24.13 H new ATOM 0 HE3 TRP A 61 -3.553 -13.455 8.731 1.00 44.55 H new ATOM 0 HZ2 TRP A 61 -0.477 -9.555 8.804 1.00 2.04 H new ATOM 0 HZ3 TRP A 61 -2.163 -12.916 6.792 1.00 31.53 H new ATOM 0 HH2 TRP A 61 -0.649 -11.001 6.826 1.00 52.40 H new ATOM 854 N PHE A 62 -6.665 -13.023 9.067 1.00 62.41 N ATOM 855 CA PHE A 62 -7.157 -12.708 7.732 1.00 71.11 C ATOM 856 C PHE A 62 -8.552 -12.124 7.846 1.00 53.03 C ATOM 857 O PHE A 62 -8.898 -11.138 7.196 1.00 42.10 O ATOM 858 CB PHE A 62 -7.200 -13.958 6.832 1.00 11.22 C ATOM 859 CG PHE A 62 -5.941 -14.246 6.074 1.00 73.42 C ATOM 860 CD1 PHE A 62 -4.792 -14.652 6.708 1.00 45.32 C ATOM 861 CD2 PHE A 62 -5.928 -14.112 4.708 1.00 2.01 C ATOM 862 CE1 PHE A 62 -3.643 -14.916 5.994 1.00 72.02 C ATOM 863 CE2 PHE A 62 -4.792 -14.379 3.981 1.00 32.15 C ATOM 864 CZ PHE A 62 -3.644 -14.779 4.628 1.00 21.31 C ATOM 0 H PHE A 62 -6.685 -14.016 9.298 1.00 62.41 H new ATOM 0 HA PHE A 62 -6.475 -11.990 7.277 1.00 71.11 H new ATOM 0 HB2 PHE A 62 -7.437 -14.823 7.451 1.00 11.22 H new ATOM 0 HB3 PHE A 62 -8.016 -13.843 6.118 1.00 11.22 H new ATOM 0 HD1 PHE A 62 -4.789 -14.766 7.782 1.00 45.32 H new ATOM 0 HD2 PHE A 62 -6.824 -13.792 4.197 1.00 2.01 H new ATOM 0 HE1 PHE A 62 -2.746 -15.229 6.507 1.00 72.02 H new ATOM 0 HE2 PHE A 62 -4.800 -14.275 2.906 1.00 32.15 H new ATOM 0 HZ PHE A 62 -2.747 -14.984 4.062 1.00 21.31 H new ATOM 874 N ARG A 63 -9.333 -12.712 8.718 1.00 43.45 N ATOM 875 CA ARG A 63 -10.706 -12.306 8.946 1.00 30.40 C ATOM 876 C ARG A 63 -10.761 -10.876 9.501 1.00 44.45 C ATOM 877 O ARG A 63 -11.762 -10.191 9.355 1.00 35.25 O ATOM 878 CB ARG A 63 -11.392 -13.285 9.906 1.00 42.14 C ATOM 879 CG ARG A 63 -12.907 -13.163 9.957 1.00 21.01 C ATOM 880 CD ARG A 63 -13.527 -13.550 8.619 1.00 63.32 C ATOM 881 NE ARG A 63 -14.993 -13.470 8.636 1.00 22.52 N ATOM 882 CZ ARG A 63 -15.815 -14.276 7.939 1.00 64.42 C ATOM 883 NH1 ARG A 63 -15.315 -15.283 7.200 1.00 52.13 N ATOM 884 NH2 ARG A 63 -17.142 -14.085 7.992 1.00 63.14 N ATOM 0 H ARG A 63 -9.034 -13.496 9.298 1.00 43.45 H new ATOM 0 HA ARG A 63 -11.237 -12.321 7.994 1.00 30.40 H new ATOM 0 HB2 ARG A 63 -11.132 -14.302 9.614 1.00 42.14 H new ATOM 0 HB3 ARG A 63 -10.994 -13.130 10.909 1.00 42.14 H new ATOM 0 HG2 ARG A 63 -13.302 -13.805 10.745 1.00 21.01 H new ATOM 0 HG3 ARG A 63 -13.186 -12.140 10.210 1.00 21.01 H new ATOM 0 HD2 ARG A 63 -13.139 -12.895 7.839 1.00 63.32 H new ATOM 0 HD3 ARG A 63 -13.224 -14.565 8.362 1.00 63.32 H new ATOM 0 HE ARG A 63 -15.420 -12.750 9.219 1.00 22.52 H new ATOM 0 HH11 ARG A 63 -14.308 -15.439 7.166 1.00 52.13 H new ATOM 0 HH12 ARG A 63 -15.943 -15.890 6.674 1.00 52.13 H new ATOM 0 HH21 ARG A 63 -17.526 -13.330 8.560 1.00 63.14 H new ATOM 0 HH22 ARG A 63 -17.767 -14.695 7.464 1.00 63.14 H new ATOM 898 N LYS A 64 -9.650 -10.438 10.097 1.00 51.44 N ATOM 899 CA LYS A 64 -9.509 -9.089 10.644 1.00 54.41 C ATOM 900 C LYS A 64 -9.586 -8.038 9.499 1.00 11.42 C ATOM 901 O LYS A 64 -9.953 -6.897 9.716 1.00 13.31 O ATOM 902 CB LYS A 64 -8.159 -8.976 11.404 1.00 3.33 C ATOM 903 CG LYS A 64 -7.039 -8.318 10.620 1.00 31.20 C ATOM 904 CD LYS A 64 -5.738 -8.344 11.370 1.00 71.53 C ATOM 905 CE LYS A 64 -4.610 -7.724 10.535 1.00 21.11 C ATOM 906 NZ LYS A 64 -4.464 -8.386 9.214 1.00 11.53 N ATOM 0 H LYS A 64 -8.817 -11.015 10.214 1.00 51.44 H new ATOM 0 HA LYS A 64 -10.323 -8.893 11.342 1.00 54.41 H new ATOM 0 HB2 LYS A 64 -8.321 -8.411 12.322 1.00 3.33 H new ATOM 0 HB3 LYS A 64 -7.839 -9.976 11.698 1.00 3.33 H new ATOM 0 HG2 LYS A 64 -6.917 -8.828 9.664 1.00 31.20 H new ATOM 0 HG3 LYS A 64 -7.309 -7.286 10.398 1.00 31.20 H new ATOM 0 HD2 LYS A 64 -5.844 -7.798 12.308 1.00 71.53 H new ATOM 0 HD3 LYS A 64 -5.483 -9.372 11.627 1.00 71.53 H new ATOM 0 HE2 LYS A 64 -4.810 -6.663 10.388 1.00 21.11 H new ATOM 0 HE3 LYS A 64 -3.671 -7.799 11.083 1.00 21.11 H new ATOM 0 HZ1 LYS A 64 -3.537 -8.148 8.807 1.00 11.53 H new ATOM 0 HZ2 LYS A 64 -4.536 -9.417 9.332 1.00 11.53 H new ATOM 0 HZ3 LYS A 64 -5.217 -8.058 8.576 1.00 11.53 H new ATOM 920 N ASN A 65 -9.234 -8.467 8.277 1.00 62.41 N ATOM 921 CA ASN A 65 -9.269 -7.593 7.084 1.00 35.25 C ATOM 922 C ASN A 65 -10.602 -7.705 6.408 1.00 72.33 C ATOM 923 O ASN A 65 -10.881 -7.014 5.434 1.00 1.13 O ATOM 924 CB ASN A 65 -8.183 -7.973 6.058 1.00 52.02 C ATOM 925 CG ASN A 65 -6.775 -7.594 6.455 1.00 34.14 C ATOM 926 OD1 ASN A 65 -6.447 -7.513 7.630 1.00 22.32 O ATOM 927 ND2 ASN A 65 -5.922 -7.418 5.479 1.00 14.14 N ATOM 0 H ASN A 65 -8.920 -9.418 8.084 1.00 62.41 H new ATOM 0 HA ASN A 65 -9.089 -6.575 7.430 1.00 35.25 H new ATOM 0 HB2 ASN A 65 -8.221 -9.050 5.892 1.00 52.02 H new ATOM 0 HB3 ASN A 65 -8.418 -7.495 5.107 1.00 52.02 H new ATOM 0 HD21 ASN A 65 -4.946 -7.205 5.687 1.00 14.14 H new ATOM 0 HD22 ASN A 65 -6.233 -7.493 4.510 1.00 14.14 H new ATOM 934 N GLY A 66 -11.416 -8.593 6.915 1.00 33.32 N ATOM 935 CA GLY A 66 -12.695 -8.819 6.339 1.00 52.45 C ATOM 936 C GLY A 66 -12.629 -9.691 5.106 1.00 14.44 C ATOM 937 O GLY A 66 -13.524 -9.619 4.248 1.00 32.30 O ATOM 0 H GLY A 66 -11.205 -9.169 7.730 1.00 33.32 H new ATOM 0 HA2 GLY A 66 -13.345 -9.288 7.078 1.00 52.45 H new ATOM 0 HA3 GLY A 66 -13.147 -7.862 6.079 1.00 52.45 H new ATOM 941 N TYR A 67 -11.580 -10.512 4.973 1.00 53.34 N ATOM 942 CA TYR A 67 -11.522 -11.412 3.850 1.00 51.40 C ATOM 943 C TYR A 67 -12.634 -12.425 3.972 1.00 52.11 C ATOM 944 O TYR A 67 -12.863 -12.996 5.058 1.00 31.20 O ATOM 945 CB TYR A 67 -10.205 -12.173 3.756 1.00 63.11 C ATOM 946 CG TYR A 67 -8.961 -11.358 3.522 1.00 73.34 C ATOM 947 CD1 TYR A 67 -8.777 -10.620 2.367 1.00 0.42 C ATOM 948 CD2 TYR A 67 -7.946 -11.375 4.443 1.00 14.34 C ATOM 949 CE1 TYR A 67 -7.604 -9.924 2.164 1.00 51.42 C ATOM 950 CE2 TYR A 67 -6.787 -10.688 4.255 1.00 13.34 C ATOM 951 CZ TYR A 67 -6.616 -9.969 3.123 1.00 33.32 C ATOM 952 OH TYR A 67 -5.459 -9.291 2.938 1.00 42.50 O ATOM 0 H TYR A 67 -10.789 -10.562 5.616 1.00 53.34 H new ATOM 0 HA TYR A 67 -11.620 -10.800 2.954 1.00 51.40 H new ATOM 0 HB2 TYR A 67 -10.072 -12.736 4.680 1.00 63.11 H new ATOM 0 HB3 TYR A 67 -10.291 -12.900 2.949 1.00 63.11 H new ATOM 0 HD1 TYR A 67 -9.556 -10.589 1.620 1.00 0.42 H new ATOM 0 HD2 TYR A 67 -8.070 -11.952 5.347 1.00 14.34 H new ATOM 0 HE1 TYR A 67 -7.461 -9.349 1.261 1.00 51.42 H new ATOM 0 HE2 TYR A 67 -6.010 -10.717 5.004 1.00 13.34 H new ATOM 0 HH TYR A 67 -4.872 -9.429 3.710 1.00 42.50 H new ATOM 962 N ARG A 68 -13.337 -12.638 2.897 1.00 2.23 N ATOM 963 CA ARG A 68 -14.373 -13.630 2.882 1.00 45.20 C ATOM 964 C ARG A 68 -13.741 -14.968 2.635 1.00 34.43 C ATOM 965 O ARG A 68 -13.668 -15.438 1.515 1.00 43.35 O ATOM 966 CB ARG A 68 -15.472 -13.348 1.855 1.00 31.23 C ATOM 967 CG ARG A 68 -16.379 -12.178 2.149 1.00 62.33 C ATOM 968 CD ARG A 68 -15.693 -10.879 1.873 1.00 75.31 C ATOM 969 NE ARG A 68 -16.628 -9.730 1.867 1.00 22.45 N ATOM 970 CZ ARG A 68 -16.289 -8.438 2.100 1.00 21.20 C ATOM 971 NH1 ARG A 68 -15.109 -8.131 2.644 1.00 2.04 N ATOM 972 NH2 ARG A 68 -17.177 -7.462 1.856 1.00 14.34 N ATOM 0 H ARG A 68 -13.211 -12.137 2.018 1.00 2.23 H new ATOM 0 HA ARG A 68 -14.872 -13.611 3.851 1.00 45.20 H new ATOM 0 HB2 ARG A 68 -15.000 -13.180 0.887 1.00 31.23 H new ATOM 0 HB3 ARG A 68 -16.088 -14.242 1.759 1.00 31.23 H new ATOM 0 HG2 ARG A 68 -17.281 -12.252 1.541 1.00 62.33 H new ATOM 0 HG3 ARG A 68 -16.694 -12.212 3.192 1.00 62.33 H new ATOM 0 HD2 ARG A 68 -14.923 -10.712 2.626 1.00 75.31 H new ATOM 0 HD3 ARG A 68 -15.188 -10.937 0.909 1.00 75.31 H new ATOM 0 HE ARG A 68 -17.609 -9.927 1.671 1.00 22.45 H new ATOM 0 HH11 ARG A 68 -14.452 -8.872 2.889 1.00 2.04 H new ATOM 0 HH12 ARG A 68 -14.864 -7.156 2.815 1.00 2.04 H new ATOM 0 HH21 ARG A 68 -18.103 -7.693 1.497 1.00 14.34 H new ATOM 0 HH22 ARG A 68 -16.926 -6.489 2.030 1.00 14.34 H new ATOM 986 N LEU A 69 -13.212 -15.493 3.680 1.00 25.10 N ATOM 987 CA LEU A 69 -12.469 -16.734 3.685 1.00 31.34 C ATOM 988 C LEU A 69 -12.985 -17.656 4.745 1.00 54.02 C ATOM 989 O LEU A 69 -13.582 -17.211 5.754 1.00 10.41 O ATOM 990 CB LEU A 69 -10.984 -16.460 3.985 1.00 43.33 C ATOM 991 CG LEU A 69 -10.122 -15.899 2.858 1.00 60.12 C ATOM 992 CD1 LEU A 69 -8.822 -15.384 3.423 1.00 11.44 C ATOM 993 CD2 LEU A 69 -9.808 -16.988 1.865 1.00 51.15 C ATOM 0 H LEU A 69 -13.279 -15.063 4.603 1.00 25.10 H new ATOM 0 HA LEU A 69 -12.585 -17.192 2.703 1.00 31.34 H new ATOM 0 HB2 LEU A 69 -10.934 -15.764 4.823 1.00 43.33 H new ATOM 0 HB3 LEU A 69 -10.532 -17.394 4.319 1.00 43.33 H new ATOM 0 HG LEU A 69 -10.667 -15.092 2.368 1.00 60.12 H new ATOM 0 HD11 LEU A 69 -8.208 -14.984 2.616 1.00 11.44 H new ATOM 0 HD12 LEU A 69 -9.027 -14.596 4.148 1.00 11.44 H new ATOM 0 HD13 LEU A 69 -8.290 -16.199 3.914 1.00 11.44 H new ATOM 0 HD21 LEU A 69 -9.192 -16.582 1.062 1.00 51.15 H new ATOM 0 HD22 LEU A 69 -9.268 -17.792 2.365 1.00 51.15 H new ATOM 0 HD23 LEU A 69 -10.736 -17.379 1.448 1.00 51.15 H new ATOM 1005 N THR A 70 -12.785 -18.912 4.512 1.00 32.11 N ATOM 1006 CA THR A 70 -13.048 -19.938 5.456 1.00 52.12 C ATOM 1007 C THR A 70 -11.729 -20.664 5.708 1.00 72.32 C ATOM 1008 O THR A 70 -10.877 -20.696 4.812 1.00 65.12 O ATOM 1009 CB THR A 70 -14.127 -20.931 4.929 1.00 13.15 C ATOM 1010 OG1 THR A 70 -13.759 -21.465 3.629 1.00 74.23 O ATOM 1011 CG2 THR A 70 -15.493 -20.261 4.837 1.00 23.44 C ATOM 0 H THR A 70 -12.421 -19.260 3.625 1.00 32.11 H new ATOM 0 HA THR A 70 -13.441 -19.509 6.378 1.00 52.12 H new ATOM 0 HB THR A 70 -14.184 -21.752 5.643 1.00 13.15 H new ATOM 0 HG1 THR A 70 -13.656 -20.729 2.990 1.00 74.23 H new ATOM 0 HG21 THR A 70 -16.226 -20.978 4.466 1.00 23.44 H new ATOM 0 HG22 THR A 70 -15.794 -19.912 5.825 1.00 23.44 H new ATOM 0 HG23 THR A 70 -15.437 -19.413 4.154 1.00 23.44 H new ATOM 1019 N LEU A 71 -11.545 -21.226 6.915 1.00 73.15 N ATOM 1020 CA LEU A 71 -10.287 -21.925 7.273 1.00 60.24 C ATOM 1021 C LEU A 71 -9.915 -22.948 6.230 1.00 50.32 C ATOM 1022 O LEU A 71 -8.782 -23.016 5.822 1.00 31.43 O ATOM 1023 CB LEU A 71 -10.405 -22.646 8.621 1.00 64.30 C ATOM 1024 CG LEU A 71 -9.121 -23.267 9.166 1.00 71.31 C ATOM 1025 CD1 LEU A 71 -8.081 -22.206 9.410 1.00 71.23 C ATOM 1026 CD2 LEU A 71 -9.401 -23.996 10.443 1.00 10.34 C ATOM 0 H LEU A 71 -12.243 -21.213 7.659 1.00 73.15 H new ATOM 0 HA LEU A 71 -9.517 -21.156 7.334 1.00 60.24 H new ATOM 0 HB2 LEU A 71 -10.782 -21.937 9.358 1.00 64.30 H new ATOM 0 HB3 LEU A 71 -11.153 -23.433 8.525 1.00 64.30 H new ATOM 0 HG LEU A 71 -8.741 -23.970 8.425 1.00 71.31 H new ATOM 0 HD11 LEU A 71 -7.174 -22.668 9.798 1.00 71.23 H new ATOM 0 HD12 LEU A 71 -7.856 -21.695 8.474 1.00 71.23 H new ATOM 0 HD13 LEU A 71 -8.460 -21.485 10.135 1.00 71.23 H new ATOM 0 HD21 LEU A 71 -8.478 -24.434 10.822 1.00 10.34 H new ATOM 0 HD22 LEU A 71 -9.801 -23.299 11.180 1.00 10.34 H new ATOM 0 HD23 LEU A 71 -10.129 -24.786 10.259 1.00 10.34 H new ATOM 1038 N ARG A 72 -10.932 -23.675 5.775 1.00 54.10 N ATOM 1039 CA ARG A 72 -10.824 -24.799 4.831 1.00 72.03 C ATOM 1040 C ARG A 72 -9.875 -24.493 3.659 1.00 72.24 C ATOM 1041 O ARG A 72 -9.061 -25.314 3.294 1.00 51.25 O ATOM 1042 CB ARG A 72 -12.181 -25.064 4.224 1.00 1.30 C ATOM 1043 CG ARG A 72 -13.309 -25.273 5.205 1.00 31.13 C ATOM 1044 CD ARG A 72 -14.618 -25.351 4.454 1.00 40.35 C ATOM 1045 NE ARG A 72 -14.850 -24.125 3.649 1.00 40.31 N ATOM 1046 CZ ARG A 72 -15.779 -23.965 2.696 1.00 20.31 C ATOM 1047 NH1 ARG A 72 -16.661 -24.942 2.430 1.00 63.32 N ATOM 1048 NH2 ARG A 72 -15.821 -22.815 2.020 1.00 42.34 N ATOM 0 H ARG A 72 -11.894 -23.495 6.061 1.00 54.10 H new ATOM 0 HA ARG A 72 -10.440 -25.649 5.395 1.00 72.03 H new ATOM 0 HB2 ARG A 72 -12.438 -24.226 3.576 1.00 1.30 H new ATOM 0 HB3 ARG A 72 -12.108 -25.947 3.589 1.00 1.30 H new ATOM 0 HG2 ARG A 72 -13.147 -26.189 5.772 1.00 31.13 H new ATOM 0 HG3 ARG A 72 -13.337 -24.454 5.924 1.00 31.13 H new ATOM 0 HD2 ARG A 72 -14.613 -26.223 3.800 1.00 40.35 H new ATOM 0 HD3 ARG A 72 -15.438 -25.486 5.160 1.00 40.35 H new ATOM 0 HE ARG A 72 -14.244 -23.327 3.840 1.00 40.31 H new ATOM 0 HH11 ARG A 72 -16.628 -25.816 2.955 1.00 63.32 H new ATOM 0 HH12 ARG A 72 -17.364 -24.810 1.703 1.00 63.32 H new ATOM 0 HH21 ARG A 72 -15.153 -22.074 2.232 1.00 42.34 H new ATOM 0 HH22 ARG A 72 -16.522 -22.677 1.292 1.00 42.34 H new ATOM 1062 N GLU A 73 -10.003 -23.290 3.110 1.00 43.45 N ATOM 1063 CA GLU A 73 -9.245 -22.854 1.938 1.00 42.32 C ATOM 1064 C GLU A 73 -7.747 -22.827 2.213 1.00 54.43 C ATOM 1065 O GLU A 73 -6.973 -23.512 1.549 1.00 2.25 O ATOM 1066 CB GLU A 73 -9.753 -21.482 1.514 1.00 54.44 C ATOM 1067 CG GLU A 73 -11.191 -21.523 1.042 1.00 71.21 C ATOM 1068 CD GLU A 73 -11.837 -20.172 0.984 1.00 1.32 C ATOM 1069 OE1 GLU A 73 -11.703 -19.479 -0.043 1.00 2.12 O ATOM 1070 OE2 GLU A 73 -12.509 -19.792 1.982 1.00 61.52 O ATOM 0 H GLU A 73 -10.642 -22.581 3.469 1.00 43.45 H new ATOM 0 HA GLU A 73 -9.396 -23.568 1.128 1.00 42.32 H new ATOM 0 HB2 GLU A 73 -9.667 -20.790 2.352 1.00 54.44 H new ATOM 0 HB3 GLU A 73 -9.121 -21.094 0.715 1.00 54.44 H new ATOM 0 HG2 GLU A 73 -11.228 -21.978 0.052 1.00 71.21 H new ATOM 0 HG3 GLU A 73 -11.767 -22.164 1.709 1.00 71.21 H new ATOM 1077 N LEU A 74 -7.359 -22.085 3.232 1.00 11.41 N ATOM 1078 CA LEU A 74 -5.955 -21.952 3.614 1.00 52.54 C ATOM 1079 C LEU A 74 -5.451 -23.234 4.247 1.00 53.32 C ATOM 1080 O LEU A 74 -4.267 -23.449 4.379 1.00 35.03 O ATOM 1081 CB LEU A 74 -5.740 -20.815 4.635 1.00 72.35 C ATOM 1082 CG LEU A 74 -5.996 -19.382 4.175 1.00 13.53 C ATOM 1083 CD1 LEU A 74 -7.440 -19.124 4.019 1.00 22.23 C ATOM 1084 CD2 LEU A 74 -5.376 -18.380 5.122 1.00 23.31 C ATOM 0 H LEU A 74 -8.002 -21.556 3.821 1.00 11.41 H new ATOM 0 HA LEU A 74 -5.407 -21.728 2.699 1.00 52.54 H new ATOM 0 HB2 LEU A 74 -6.383 -21.010 5.493 1.00 72.35 H new ATOM 0 HB3 LEU A 74 -4.711 -20.874 4.988 1.00 72.35 H new ATOM 0 HG LEU A 74 -5.521 -19.262 3.201 1.00 13.53 H new ATOM 0 HD11 LEU A 74 -7.593 -18.096 3.691 1.00 22.23 H new ATOM 0 HD12 LEU A 74 -7.854 -19.807 3.277 1.00 22.23 H new ATOM 0 HD13 LEU A 74 -7.942 -19.278 4.974 1.00 22.23 H new ATOM 0 HD21 LEU A 74 -5.577 -17.370 4.765 1.00 23.31 H new ATOM 0 HD22 LEU A 74 -5.805 -18.506 6.116 1.00 23.31 H new ATOM 0 HD23 LEU A 74 -4.299 -18.541 5.168 1.00 23.31 H new ATOM 1096 N TYR A 75 -6.373 -24.037 4.675 1.00 23.35 N ATOM 1097 CA TYR A 75 -6.086 -25.258 5.375 1.00 72.53 C ATOM 1098 C TYR A 75 -5.757 -26.361 4.369 1.00 71.00 C ATOM 1099 O TYR A 75 -4.884 -27.189 4.605 1.00 1.51 O ATOM 1100 CB TYR A 75 -7.322 -25.595 6.203 1.00 73.54 C ATOM 1101 CG TYR A 75 -7.161 -26.440 7.388 1.00 20.12 C ATOM 1102 CD1 TYR A 75 -5.948 -26.980 7.775 1.00 54.03 C ATOM 1103 CD2 TYR A 75 -8.255 -26.652 8.162 1.00 12.14 C ATOM 1104 CE1 TYR A 75 -5.857 -27.725 8.920 1.00 10.42 C ATOM 1105 CE2 TYR A 75 -8.199 -27.364 9.289 1.00 32.43 C ATOM 1106 CZ TYR A 75 -6.988 -27.918 9.686 1.00 11.54 C ATOM 1107 OH TYR A 75 -6.899 -28.635 10.840 1.00 5.22 O ATOM 0 H TYR A 75 -7.370 -23.862 4.547 1.00 23.35 H new ATOM 0 HA TYR A 75 -5.221 -25.157 6.031 1.00 72.53 H new ATOM 0 HB2 TYR A 75 -7.772 -24.656 6.525 1.00 73.54 H new ATOM 0 HB3 TYR A 75 -8.040 -26.083 5.543 1.00 73.54 H new ATOM 0 HD1 TYR A 75 -5.068 -26.813 7.171 1.00 54.03 H new ATOM 0 HD2 TYR A 75 -9.201 -26.231 7.856 1.00 12.14 H new ATOM 0 HE1 TYR A 75 -4.913 -28.156 9.219 1.00 10.42 H new ATOM 0 HE2 TYR A 75 -9.087 -27.508 9.887 1.00 32.43 H new ATOM 0 HH TYR A 75 -7.781 -28.681 11.266 1.00 5.22 H new ATOM 1117 N ALA A 76 -6.462 -26.356 3.253 1.00 61.44 N ATOM 1118 CA ALA A 76 -6.216 -27.309 2.192 1.00 24.00 C ATOM 1119 C ALA A 76 -5.030 -26.858 1.360 1.00 11.25 C ATOM 1120 O ALA A 76 -4.233 -27.671 0.893 1.00 11.41 O ATOM 1121 CB ALA A 76 -7.452 -27.470 1.317 1.00 10.43 C ATOM 0 H ALA A 76 -7.215 -25.696 3.059 1.00 61.44 H new ATOM 0 HA ALA A 76 -5.988 -28.278 2.636 1.00 24.00 H new ATOM 0 HB1 ALA A 76 -7.246 -28.191 0.526 1.00 10.43 H new ATOM 0 HB2 ALA A 76 -8.284 -27.826 1.925 1.00 10.43 H new ATOM 0 HB3 ALA A 76 -7.712 -26.509 0.874 1.00 10.43 H new ATOM 1127 N ALA A 77 -4.912 -25.558 1.185 1.00 32.52 N ATOM 1128 CA ALA A 77 -3.812 -24.991 0.453 1.00 33.43 C ATOM 1129 C ALA A 77 -3.119 -23.934 1.294 1.00 31.12 C ATOM 1130 O ALA A 77 -3.491 -22.760 1.245 1.00 5.32 O ATOM 1131 CB ALA A 77 -4.283 -24.388 -0.872 1.00 73.43 C ATOM 0 H ALA A 77 -5.575 -24.873 1.546 1.00 32.52 H new ATOM 0 HA ALA A 77 -3.105 -25.789 0.227 1.00 33.43 H new ATOM 0 HB1 ALA A 77 -3.430 -23.967 -1.404 1.00 73.43 H new ATOM 0 HB2 ALA A 77 -4.743 -25.165 -1.482 1.00 73.43 H new ATOM 0 HB3 ALA A 77 -5.012 -23.602 -0.675 1.00 73.43 H new ATOM 1137 N PRO A 78 -2.183 -24.328 2.169 1.00 54.42 N ATOM 1138 CA PRO A 78 -1.431 -23.384 2.941 1.00 44.10 C ATOM 1139 C PRO A 78 -0.131 -23.026 2.251 1.00 74.02 C ATOM 1140 O PRO A 78 0.922 -23.648 2.506 1.00 21.33 O ATOM 1141 CB PRO A 78 -1.153 -24.133 4.257 1.00 4.41 C ATOM 1142 CG PRO A 78 -1.500 -25.578 3.988 1.00 30.13 C ATOM 1143 CD PRO A 78 -1.842 -25.697 2.525 1.00 30.11 C ATOM 0 HA PRO A 78 -1.963 -22.444 3.085 1.00 44.10 H new ATOM 0 HB2 PRO A 78 -0.109 -24.030 4.553 1.00 4.41 H new ATOM 0 HB3 PRO A 78 -1.756 -23.731 5.071 1.00 4.41 H new ATOM 0 HG2 PRO A 78 -0.661 -26.227 4.240 1.00 30.13 H new ATOM 0 HG3 PRO A 78 -2.342 -25.891 4.605 1.00 30.13 H new ATOM 0 HD2 PRO A 78 -1.001 -26.071 1.941 1.00 30.11 H new ATOM 0 HD3 PRO A 78 -2.675 -26.379 2.357 1.00 30.11 H new ATOM 1151 N THR A 79 -0.209 -22.046 1.389 1.00 61.12 N ATOM 1152 CA THR A 79 0.904 -21.575 0.621 1.00 33.41 C ATOM 1153 C THR A 79 0.806 -20.049 0.487 1.00 73.21 C ATOM 1154 O THR A 79 -0.279 -19.504 0.278 1.00 41.11 O ATOM 1155 CB THR A 79 0.936 -22.257 -0.771 1.00 4.42 C ATOM 1156 OG1 THR A 79 -0.341 -22.182 -1.410 1.00 52.42 O ATOM 1157 CG2 THR A 79 1.379 -23.714 -0.691 1.00 62.10 C ATOM 0 H THR A 79 -1.075 -21.542 1.200 1.00 61.12 H new ATOM 0 HA THR A 79 1.834 -21.830 1.130 1.00 33.41 H new ATOM 0 HB THR A 79 1.670 -21.711 -1.364 1.00 4.42 H new ATOM 0 HG1 THR A 79 -0.220 -21.969 -2.359 1.00 52.42 H new ATOM 0 HG21 THR A 79 1.385 -24.148 -1.691 1.00 62.10 H new ATOM 0 HG22 THR A 79 2.381 -23.767 -0.266 1.00 62.10 H new ATOM 0 HG23 THR A 79 0.687 -24.270 -0.058 1.00 62.10 H new ATOM 1165 N LEU A 80 1.918 -19.373 0.601 1.00 71.12 N ATOM 1166 CA LEU A 80 1.941 -17.926 0.672 1.00 0.41 C ATOM 1167 C LEU A 80 1.522 -17.199 -0.608 1.00 73.43 C ATOM 1168 O LEU A 80 0.831 -16.178 -0.530 1.00 41.44 O ATOM 1169 CB LEU A 80 3.276 -17.414 1.231 1.00 52.24 C ATOM 1170 CG LEU A 80 3.264 -17.026 2.720 1.00 22.44 C ATOM 1171 CD1 LEU A 80 4.663 -16.826 3.241 1.00 3.13 C ATOM 1172 CD2 LEU A 80 2.517 -15.738 2.895 1.00 41.52 C ATOM 0 H LEU A 80 2.840 -19.807 0.648 1.00 71.12 H new ATOM 0 HA LEU A 80 1.153 -17.668 1.380 1.00 0.41 H new ATOM 0 HB2 LEU A 80 4.033 -18.184 1.080 1.00 52.24 H new ATOM 0 HB3 LEU A 80 3.585 -16.545 0.649 1.00 52.24 H new ATOM 0 HG LEU A 80 2.785 -17.835 3.272 1.00 22.44 H new ATOM 0 HD11 LEU A 80 4.623 -16.553 4.295 1.00 3.13 H new ATOM 0 HD12 LEU A 80 5.229 -17.750 3.127 1.00 3.13 H new ATOM 0 HD13 LEU A 80 5.151 -16.030 2.678 1.00 3.13 H new ATOM 0 HD21 LEU A 80 2.508 -15.463 3.950 1.00 41.52 H new ATOM 0 HD22 LEU A 80 3.006 -14.952 2.319 1.00 41.52 H new ATOM 0 HD23 LEU A 80 1.493 -15.861 2.544 1.00 41.52 H new ATOM 1184 N ALA A 81 1.863 -17.717 -1.769 1.00 3.34 N ATOM 1185 CA ALA A 81 1.533 -17.020 -3.003 1.00 64.24 C ATOM 1186 C ALA A 81 0.070 -17.221 -3.332 1.00 65.53 C ATOM 1187 O ALA A 81 -0.595 -16.298 -3.838 1.00 14.13 O ATOM 1188 CB ALA A 81 2.428 -17.442 -4.162 1.00 52.20 C ATOM 0 H ALA A 81 2.359 -18.600 -1.889 1.00 3.34 H new ATOM 0 HA ALA A 81 1.716 -15.957 -2.848 1.00 64.24 H new ATOM 0 HB1 ALA A 81 2.143 -16.894 -5.060 1.00 52.20 H new ATOM 0 HB2 ALA A 81 3.467 -17.222 -3.918 1.00 52.20 H new ATOM 0 HB3 ALA A 81 2.315 -18.512 -4.338 1.00 52.20 H new ATOM 1194 N ALA A 82 -0.446 -18.408 -3.025 1.00 54.13 N ATOM 1195 CA ALA A 82 -1.863 -18.665 -3.200 1.00 52.20 C ATOM 1196 C ALA A 82 -2.657 -17.796 -2.256 1.00 40.30 C ATOM 1197 O ALA A 82 -3.667 -17.236 -2.638 1.00 71.51 O ATOM 1198 CB ALA A 82 -2.219 -20.117 -2.984 1.00 23.34 C ATOM 0 H ALA A 82 0.091 -19.194 -2.659 1.00 54.13 H new ATOM 0 HA ALA A 82 -2.113 -18.423 -4.233 1.00 52.20 H new ATOM 0 HB1 ALA A 82 -3.291 -20.254 -3.127 1.00 23.34 H new ATOM 0 HB2 ALA A 82 -1.676 -20.735 -3.699 1.00 23.34 H new ATOM 0 HB3 ALA A 82 -1.948 -20.411 -1.970 1.00 23.34 H new ATOM 1204 N TRP A 83 -2.180 -17.661 -1.023 1.00 13.01 N ATOM 1205 CA TRP A 83 -2.837 -16.802 -0.043 1.00 74.13 C ATOM 1206 C TRP A 83 -2.837 -15.375 -0.483 1.00 72.42 C ATOM 1207 O TRP A 83 -3.822 -14.695 -0.325 1.00 31.42 O ATOM 1208 CB TRP A 83 -2.225 -16.924 1.323 1.00 2.15 C ATOM 1209 CG TRP A 83 -2.484 -18.228 1.972 1.00 60.55 C ATOM 1210 CD1 TRP A 83 -3.109 -19.314 1.444 1.00 63.53 C ATOM 1211 CD2 TRP A 83 -2.147 -18.567 3.280 1.00 43.30 C ATOM 1212 NE1 TRP A 83 -3.137 -20.315 2.343 1.00 74.34 N ATOM 1213 CE2 TRP A 83 -2.565 -19.882 3.489 1.00 55.11 C ATOM 1214 CE3 TRP A 83 -1.525 -17.886 4.293 1.00 63.23 C ATOM 1215 CZ2 TRP A 83 -2.385 -20.527 4.677 1.00 71.23 C ATOM 1216 CZ3 TRP A 83 -1.347 -18.526 5.499 1.00 63.23 C ATOM 1217 CH2 TRP A 83 -1.786 -19.846 5.668 1.00 30.30 C ATOM 0 H TRP A 83 -1.344 -18.133 -0.679 1.00 13.01 H new ATOM 0 HA TRP A 83 -3.869 -17.146 0.025 1.00 74.13 H new ATOM 0 HB2 TRP A 83 -1.148 -16.774 1.245 1.00 2.15 H new ATOM 0 HB3 TRP A 83 -2.613 -16.128 1.958 1.00 2.15 H new ATOM 0 HD1 TRP A 83 -3.523 -19.366 0.448 1.00 63.53 H new ATOM 0 HE1 TRP A 83 -3.525 -21.245 2.186 1.00 74.34 H new ATOM 0 HE3 TRP A 83 -1.183 -16.872 4.149 1.00 63.23 H new ATOM 0 HZ2 TRP A 83 -2.712 -21.547 4.816 1.00 71.23 H new ATOM 0 HZ3 TRP A 83 -0.868 -18.009 6.317 1.00 63.23 H new ATOM 0 HH2 TRP A 83 -1.639 -20.330 6.622 1.00 30.30 H new ATOM 1228 N ASN A 84 -1.714 -14.927 -1.010 1.00 13.14 N ATOM 1229 CA ASN A 84 -1.614 -13.589 -1.633 1.00 14.22 C ATOM 1230 C ASN A 84 -2.749 -13.394 -2.655 1.00 15.51 C ATOM 1231 O ASN A 84 -3.433 -12.359 -2.665 1.00 51.01 O ATOM 1232 CB ASN A 84 -0.245 -13.422 -2.324 1.00 20.55 C ATOM 1233 CG ASN A 84 -0.096 -12.105 -3.083 1.00 71.04 C ATOM 1234 OD1 ASN A 84 0.305 -11.097 -2.525 1.00 74.33 O ATOM 1235 ND2 ASN A 84 -0.374 -12.125 -4.368 1.00 5.44 N ATOM 0 H ASN A 84 -0.845 -15.461 -1.027 1.00 13.14 H new ATOM 0 HA ASN A 84 -1.707 -12.833 -0.853 1.00 14.22 H new ATOM 0 HB2 ASN A 84 0.542 -13.489 -1.573 1.00 20.55 H new ATOM 0 HB3 ASN A 84 -0.095 -14.250 -3.017 1.00 20.55 H new ATOM 0 HD21 ASN A 84 -0.256 -11.281 -4.929 1.00 5.44 H new ATOM 0 HD22 ASN A 84 -0.708 -12.985 -4.804 1.00 5.44 H new ATOM 1242 N GLN A 85 -2.975 -14.420 -3.470 1.00 33.34 N ATOM 1243 CA GLN A 85 -4.037 -14.414 -4.468 1.00 71.04 C ATOM 1244 C GLN A 85 -5.399 -14.388 -3.754 1.00 62.11 C ATOM 1245 O GLN A 85 -6.267 -13.577 -4.088 1.00 61.14 O ATOM 1246 CB GLN A 85 -3.874 -15.651 -5.404 1.00 1.04 C ATOM 1247 CG GLN A 85 -4.821 -15.728 -6.618 1.00 1.03 C ATOM 1248 CD GLN A 85 -6.254 -16.138 -6.292 1.00 71.31 C ATOM 1249 OE1 GLN A 85 -6.510 -16.886 -5.359 1.00 31.15 O ATOM 1250 NE2 GLN A 85 -7.191 -15.647 -7.057 1.00 33.00 N ATOM 0 H GLN A 85 -2.426 -15.279 -3.456 1.00 33.34 H new ATOM 0 HA GLN A 85 -3.977 -13.524 -5.094 1.00 71.04 H new ATOM 0 HB2 GLN A 85 -2.848 -15.668 -5.771 1.00 1.04 H new ATOM 0 HB3 GLN A 85 -4.013 -16.551 -4.806 1.00 1.04 H new ATOM 0 HG2 GLN A 85 -4.840 -14.754 -7.108 1.00 1.03 H new ATOM 0 HG3 GLN A 85 -4.410 -16.438 -7.336 1.00 1.03 H new ATOM 0 HE21 GLN A 85 -6.946 -15.025 -7.828 1.00 33.00 H new ATOM 0 HE22 GLN A 85 -8.168 -15.885 -6.884 1.00 33.00 H new ATOM 1259 N LEU A 86 -5.541 -15.236 -2.734 1.00 64.25 N ATOM 1260 CA LEU A 86 -6.760 -15.335 -1.925 1.00 22.34 C ATOM 1261 C LEU A 86 -7.095 -14.000 -1.242 1.00 22.12 C ATOM 1262 O LEU A 86 -8.252 -13.745 -0.912 1.00 2.03 O ATOM 1263 CB LEU A 86 -6.624 -16.419 -0.828 1.00 64.12 C ATOM 1264 CG LEU A 86 -6.313 -17.865 -1.270 1.00 40.24 C ATOM 1265 CD1 LEU A 86 -6.256 -18.771 -0.074 1.00 2.42 C ATOM 1266 CD2 LEU A 86 -7.340 -18.402 -2.236 1.00 72.14 C ATOM 0 H LEU A 86 -4.806 -15.881 -2.442 1.00 64.25 H new ATOM 0 HA LEU A 86 -7.562 -15.605 -2.613 1.00 22.34 H new ATOM 0 HB2 LEU A 86 -5.837 -16.103 -0.143 1.00 64.12 H new ATOM 0 HB3 LEU A 86 -7.554 -16.437 -0.259 1.00 64.12 H new ATOM 0 HG LEU A 86 -5.348 -17.839 -1.776 1.00 40.24 H new ATOM 0 HD11 LEU A 86 -6.036 -19.788 -0.398 1.00 2.42 H new ATOM 0 HD12 LEU A 86 -5.474 -18.429 0.604 1.00 2.42 H new ATOM 0 HD13 LEU A 86 -7.216 -18.754 0.441 1.00 2.42 H new ATOM 0 HD21 LEU A 86 -7.077 -19.422 -2.517 1.00 72.14 H new ATOM 0 HD22 LEU A 86 -8.322 -18.398 -1.763 1.00 72.14 H new ATOM 0 HD23 LEU A 86 -7.364 -17.775 -3.127 1.00 72.14 H new ATOM 1278 N MET A 87 -6.078 -13.155 -1.030 1.00 14.50 N ATOM 1279 CA MET A 87 -6.269 -11.893 -0.341 1.00 51.25 C ATOM 1280 C MET A 87 -6.746 -10.883 -1.319 1.00 44.11 C ATOM 1281 O MET A 87 -7.869 -10.400 -1.274 1.00 71.42 O ATOM 1282 CB MET A 87 -4.944 -11.322 0.219 1.00 43.14 C ATOM 1283 CG MET A 87 -4.186 -12.139 1.230 1.00 73.12 C ATOM 1284 SD MET A 87 -2.679 -11.275 1.729 1.00 33.20 S ATOM 1285 CE MET A 87 -1.872 -12.494 2.739 1.00 5.30 C ATOM 0 H MET A 87 -5.119 -13.331 -1.329 1.00 14.50 H new ATOM 0 HA MET A 87 -6.971 -12.082 0.472 1.00 51.25 H new ATOM 0 HB2 MET A 87 -4.279 -11.137 -0.625 1.00 43.14 H new ATOM 0 HB3 MET A 87 -5.163 -10.354 0.671 1.00 43.14 H new ATOM 0 HG2 MET A 87 -4.813 -12.324 2.102 1.00 73.12 H new ATOM 0 HG3 MET A 87 -3.933 -13.111 0.807 1.00 73.12 H new ATOM 0 HE1 MET A 87 -0.796 -12.455 2.566 1.00 5.30 H new ATOM 0 HE2 MET A 87 -2.078 -12.290 3.790 1.00 5.30 H new ATOM 0 HE3 MET A 87 -2.245 -13.485 2.481 1.00 5.30 H new ATOM 1295 N LEU A 88 -5.885 -10.661 -2.266 1.00 42.42 N ATOM 1296 CA LEU A 88 -5.973 -9.624 -3.198 1.00 15.52 C ATOM 1297 C LEU A 88 -7.103 -9.811 -4.192 1.00 20.12 C ATOM 1298 O LEU A 88 -7.914 -8.921 -4.366 1.00 34.42 O ATOM 1299 CB LEU A 88 -4.614 -9.523 -3.865 1.00 65.01 C ATOM 1300 CG LEU A 88 -4.593 -8.917 -5.215 1.00 2.34 C ATOM 1301 CD1 LEU A 88 -4.992 -7.435 -5.174 1.00 21.14 C ATOM 1302 CD2 LEU A 88 -3.257 -9.114 -5.883 1.00 51.51 C ATOM 0 H LEU A 88 -5.060 -11.245 -2.400 1.00 42.42 H new ATOM 0 HA LEU A 88 -6.223 -8.689 -2.697 1.00 15.52 H new ATOM 0 HB2 LEU A 88 -3.957 -8.942 -3.218 1.00 65.01 H new ATOM 0 HB3 LEU A 88 -4.190 -10.525 -3.932 1.00 65.01 H new ATOM 0 HG LEU A 88 -5.339 -9.434 -5.818 1.00 2.34 H new ATOM 0 HD11 LEU A 88 -4.965 -7.023 -6.183 1.00 21.14 H new ATOM 0 HD12 LEU A 88 -6.000 -7.341 -4.770 1.00 21.14 H new ATOM 0 HD13 LEU A 88 -4.294 -6.888 -4.540 1.00 21.14 H new ATOM 0 HD21 LEU A 88 -3.274 -8.658 -6.873 1.00 51.51 H new ATOM 0 HD22 LEU A 88 -2.477 -8.647 -5.282 1.00 51.51 H new ATOM 0 HD23 LEU A 88 -3.052 -10.180 -5.979 1.00 51.51 H new ATOM 1314 N SER A 89 -7.207 -10.978 -4.778 1.00 73.14 N ATOM 1315 CA SER A 89 -8.193 -11.200 -5.813 1.00 10.34 C ATOM 1316 C SER A 89 -9.605 -11.401 -5.227 1.00 23.11 C ATOM 1317 O SER A 89 -10.541 -11.757 -5.934 1.00 0.55 O ATOM 1318 CB SER A 89 -7.775 -12.386 -6.665 1.00 13.24 C ATOM 1319 OG SER A 89 -6.455 -12.193 -7.166 1.00 22.33 O ATOM 0 H SER A 89 -6.625 -11.787 -4.559 1.00 73.14 H new ATOM 0 HA SER A 89 -8.241 -10.310 -6.441 1.00 10.34 H new ATOM 0 HB2 SER A 89 -7.817 -13.300 -6.073 1.00 13.24 H new ATOM 0 HB3 SER A 89 -8.472 -12.511 -7.494 1.00 13.24 H new ATOM 0 HG SER A 89 -6.196 -12.965 -7.712 1.00 22.33 H new