USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 LYS NZ :NH3+ -145:sc= -3.41! (180deg=-4.4!) USER MOD Set 1.2: A 65 ASN : amide:sc= 1.49 K(o=-1.9,f=-12!) USER MOD Set 2.1: A 40 HIS : no HE2:sc= 0.0683 K(o=1.2,f=-5.5!) USER MOD Set 2.2: A 43 SER OG : rot 81:sc= 1.13 USER MOD Set 3.1: A 17 HIS : no HD1:sc= 0 X(o=0.64,f=0.51) USER MOD Set 3.2: A 67 TYR OH : rot -124:sc= 0.645 USER MOD Single : A 21 TYR OH : rot 52:sc= 0.319 USER MOD Single : A 22 GLN : amide:sc= 1.65 K(o=1.6,f=-4.1!) USER MOD Single : A 23 GLN : amide:sc= -0.653 K(o=-0.65,f=-3.7!) USER MOD Single : A 30 GLN : amide:sc= 0.574 K(o=0.57,f=-4.3!) USER MOD Single : A 33 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.039) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0217 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 38 GLN : amide:sc= 0.372 X(o=0.37,f=-0.096) USER MOD Single : A 44 ASN : amide:sc= -0.545 K(o=-0.55,f=-5.6!) USER MOD Single : A 47 GLN : amide:sc= -0.0916 X(o=-0.092,f=-0.099) USER MOD Single : A 56 MET CE :methyl 143:sc= -0.515 (180deg=-2.76!) USER MOD Single : A 60 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot -61:sc= -0.404 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl 163:sc= -0.502 (180deg=-1.65) USER MOD Single : A 89 SER OG : rot 82:sc= 0.0039 USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -3.897 -5.884 -1.712 1.00 33.14 N ATOM 52 CA HIS A 17 -4.253 -6.464 -0.402 1.00 72.20 C ATOM 53 C HIS A 17 -3.103 -7.179 0.217 1.00 24.13 C ATOM 54 O HIS A 17 -2.831 -7.033 1.383 1.00 0.13 O ATOM 55 CB HIS A 17 -5.431 -7.426 -0.534 1.00 14.44 C ATOM 56 CG HIS A 17 -6.773 -6.778 -0.554 1.00 4.20 C ATOM 57 ND1 HIS A 17 -7.461 -6.465 0.587 1.00 22.45 N ATOM 58 CD2 HIS A 17 -7.566 -6.404 -1.588 1.00 13.40 C ATOM 59 CE1 HIS A 17 -8.624 -5.925 0.245 1.00 24.41 C ATOM 60 NE2 HIS A 17 -8.749 -5.860 -1.078 1.00 53.34 N ATOM 0 HA HIS A 17 -4.533 -5.633 0.245 1.00 72.20 H new ATOM 0 HB2 HIS A 17 -5.309 -8.003 -1.451 1.00 14.44 H new ATOM 0 HB3 HIS A 17 -5.398 -8.133 0.295 1.00 14.44 H new ATOM 0 HD2 HIS A 17 -7.324 -6.509 -2.635 1.00 13.40 H new ATOM 0 HE1 HIS A 17 -9.370 -5.584 0.947 1.00 24.41 H new ATOM 0 HE2 HIS A 17 -9.539 -5.492 -1.607 1.00 53.34 H new ATOM 68 N ALA A 18 -2.380 -7.867 -0.608 1.00 72.13 N ATOM 69 CA ALA A 18 -1.269 -8.678 -0.210 1.00 3.44 C ATOM 70 C ALA A 18 -0.168 -7.929 0.587 1.00 24.10 C ATOM 71 O ALA A 18 0.756 -8.537 1.080 1.00 63.44 O ATOM 72 CB ALA A 18 -0.765 -9.516 -1.345 1.00 62.24 C ATOM 0 H ALA A 18 -2.551 -7.881 -1.613 1.00 72.13 H new ATOM 0 HA ALA A 18 -1.654 -9.376 0.534 1.00 3.44 H new ATOM 0 HB1 ALA A 18 0.078 -10.118 -1.006 1.00 62.24 H new ATOM 0 HB2 ALA A 18 -1.562 -10.172 -1.695 1.00 62.24 H new ATOM 0 HB3 ALA A 18 -0.444 -8.868 -2.161 1.00 62.24 H new ATOM 78 N ALA A 19 -0.210 -6.616 0.587 1.00 65.44 N ATOM 79 CA ALA A 19 0.712 -5.822 1.384 1.00 43.52 C ATOM 80 C ALA A 19 0.690 -6.208 2.891 1.00 31.34 C ATOM 81 O ALA A 19 1.715 -6.138 3.539 1.00 71.00 O ATOM 82 CB ALA A 19 0.415 -4.354 1.228 1.00 35.05 C ATOM 0 H ALA A 19 -0.875 -6.068 0.042 1.00 65.44 H new ATOM 0 HA ALA A 19 1.713 -6.036 1.009 1.00 43.52 H new ATOM 0 HB1 ALA A 19 1.114 -3.775 1.831 1.00 35.05 H new ATOM 0 HB2 ALA A 19 0.519 -4.071 0.180 1.00 35.05 H new ATOM 0 HB3 ALA A 19 -0.604 -4.152 1.559 1.00 35.05 H new ATOM 88 N ASP A 20 -0.472 -6.624 3.439 1.00 74.04 N ATOM 89 CA ASP A 20 -0.527 -7.034 4.874 1.00 43.42 C ATOM 90 C ASP A 20 -0.120 -8.502 4.981 1.00 4.14 C ATOM 91 O ASP A 20 0.396 -8.968 6.002 1.00 53.04 O ATOM 92 CB ASP A 20 -1.918 -6.803 5.512 1.00 32.34 C ATOM 93 CG ASP A 20 -2.945 -7.845 5.139 1.00 24.34 C ATOM 94 OD1 ASP A 20 -3.080 -8.146 3.939 1.00 15.35 O ATOM 95 OD2 ASP A 20 -3.640 -8.350 6.044 1.00 34.31 O ATOM 0 H ASP A 20 -1.358 -6.687 2.938 1.00 74.04 H new ATOM 0 HA ASP A 20 0.168 -6.407 5.432 1.00 43.42 H new ATOM 0 HB2 ASP A 20 -1.811 -6.785 6.597 1.00 32.34 H new ATOM 0 HB3 ASP A 20 -2.286 -5.822 5.212 1.00 32.34 H new ATOM 100 N TYR A 21 -0.344 -9.215 3.883 1.00 52.35 N ATOM 101 CA TYR A 21 0.136 -10.595 3.662 1.00 52.15 C ATOM 102 C TYR A 21 1.655 -10.667 3.856 1.00 63.15 C ATOM 103 O TYR A 21 2.203 -11.725 4.195 1.00 24.41 O ATOM 104 CB TYR A 21 -0.319 -11.004 2.244 1.00 43.43 C ATOM 105 CG TYR A 21 0.546 -11.916 1.367 1.00 72.40 C ATOM 106 CD1 TYR A 21 1.767 -11.483 0.819 1.00 25.11 C ATOM 107 CD2 TYR A 21 0.076 -13.142 0.971 1.00 1.22 C ATOM 108 CE1 TYR A 21 2.460 -12.256 -0.080 1.00 15.34 C ATOM 109 CE2 TYR A 21 0.781 -13.917 0.102 1.00 52.23 C ATOM 110 CZ TYR A 21 1.963 -13.477 -0.428 1.00 35.33 C ATOM 111 OH TYR A 21 2.601 -14.244 -1.364 1.00 10.45 O ATOM 0 H TYR A 21 -0.878 -8.849 3.095 1.00 52.35 H new ATOM 0 HA TYR A 21 -0.282 -11.295 4.385 1.00 52.15 H new ATOM 0 HB2 TYR A 21 -1.289 -11.489 2.348 1.00 43.43 H new ATOM 0 HB3 TYR A 21 -0.481 -10.083 1.683 1.00 43.43 H new ATOM 0 HD1 TYR A 21 2.167 -10.523 1.111 1.00 25.11 H new ATOM 0 HD2 TYR A 21 -0.869 -13.498 1.355 1.00 1.22 H new ATOM 0 HE1 TYR A 21 3.387 -11.901 -0.506 1.00 15.34 H new ATOM 0 HE2 TYR A 21 0.403 -14.891 -0.172 1.00 52.23 H new ATOM 0 HH TYR A 21 3.546 -14.337 -1.122 1.00 10.45 H new ATOM 121 N GLN A 22 2.315 -9.533 3.648 1.00 3.53 N ATOM 122 CA GLN A 22 3.730 -9.389 3.897 1.00 30.13 C ATOM 123 C GLN A 22 4.011 -9.677 5.366 1.00 24.45 C ATOM 124 O GLN A 22 4.813 -10.541 5.675 1.00 32.04 O ATOM 125 CB GLN A 22 4.195 -7.978 3.504 1.00 71.11 C ATOM 126 CG GLN A 22 5.656 -7.650 3.811 1.00 73.40 C ATOM 127 CD GLN A 22 6.654 -8.594 3.153 1.00 5.42 C ATOM 128 OE1 GLN A 22 6.396 -9.175 2.098 1.00 2.13 O ATOM 129 NE2 GLN A 22 7.800 -8.737 3.752 1.00 74.31 N ATOM 0 H GLN A 22 1.871 -8.684 3.298 1.00 3.53 H new ATOM 0 HA GLN A 22 4.288 -10.102 3.290 1.00 30.13 H new ATOM 0 HB2 GLN A 22 4.029 -7.846 2.435 1.00 71.11 H new ATOM 0 HB3 GLN A 22 3.564 -7.252 4.016 1.00 71.11 H new ATOM 0 HG2 GLN A 22 5.865 -6.631 3.485 1.00 73.40 H new ATOM 0 HG3 GLN A 22 5.804 -7.676 4.891 1.00 73.40 H new ATOM 0 HE21 GLN A 22 7.984 -8.243 4.625 1.00 74.31 H new ATOM 0 HE22 GLN A 22 8.514 -9.344 3.349 1.00 74.31 H new ATOM 138 N GLN A 23 3.284 -9.012 6.257 1.00 71.30 N ATOM 139 CA GLN A 23 3.458 -9.227 7.714 1.00 2.32 C ATOM 140 C GLN A 23 3.195 -10.673 8.129 1.00 72.24 C ATOM 141 O GLN A 23 3.847 -11.198 9.043 1.00 21.14 O ATOM 142 CB GLN A 23 2.619 -8.264 8.569 1.00 64.01 C ATOM 143 CG GLN A 23 3.170 -6.852 8.623 1.00 5.34 C ATOM 144 CD GLN A 23 3.127 -6.132 7.290 1.00 0.01 C ATOM 145 OE1 GLN A 23 2.216 -6.324 6.498 1.00 23.41 O ATOM 146 NE2 GLN A 23 4.156 -5.395 6.993 1.00 12.31 N ATOM 0 H GLN A 23 2.572 -8.323 6.013 1.00 71.30 H new ATOM 0 HA GLN A 23 4.508 -9.007 7.908 1.00 2.32 H new ATOM 0 HB2 GLN A 23 1.604 -8.233 8.173 1.00 64.01 H new ATOM 0 HB3 GLN A 23 2.554 -8.657 9.584 1.00 64.01 H new ATOM 0 HG2 GLN A 23 2.603 -6.277 9.355 1.00 5.34 H new ATOM 0 HG3 GLN A 23 4.201 -6.887 8.975 1.00 5.34 H new ATOM 0 HE21 GLN A 23 4.899 -5.256 7.678 1.00 12.31 H new ATOM 0 HE22 GLN A 23 4.221 -4.956 6.075 1.00 12.31 H new ATOM 155 N LEU A 24 2.234 -11.306 7.468 1.00 63.32 N ATOM 156 CA LEU A 24 1.941 -12.731 7.678 1.00 2.02 C ATOM 157 C LEU A 24 3.215 -13.540 7.440 1.00 33.01 C ATOM 158 O LEU A 24 3.715 -14.242 8.310 1.00 65.21 O ATOM 159 CB LEU A 24 0.917 -13.199 6.643 1.00 52.10 C ATOM 160 CG LEU A 24 0.653 -14.699 6.623 1.00 61.32 C ATOM 161 CD1 LEU A 24 -0.449 -15.097 7.567 1.00 40.03 C ATOM 162 CD2 LEU A 24 0.450 -15.227 5.211 1.00 62.34 C ATOM 0 H LEU A 24 1.636 -10.856 6.775 1.00 63.32 H new ATOM 0 HA LEU A 24 1.563 -12.870 8.691 1.00 2.02 H new ATOM 0 HB2 LEU A 24 -0.025 -12.683 6.829 1.00 52.10 H new ATOM 0 HB3 LEU A 24 1.258 -12.893 5.654 1.00 52.10 H new ATOM 0 HG LEU A 24 1.554 -15.185 6.997 1.00 61.32 H new ATOM 0 HD11 LEU A 24 -0.600 -16.175 7.517 1.00 40.03 H new ATOM 0 HD12 LEU A 24 -0.176 -14.816 8.584 1.00 40.03 H new ATOM 0 HD13 LEU A 24 -1.371 -14.588 7.285 1.00 40.03 H new ATOM 0 HD21 LEU A 24 0.265 -16.301 5.247 1.00 62.34 H new ATOM 0 HD22 LEU A 24 -0.404 -14.727 4.755 1.00 62.34 H new ATOM 0 HD23 LEU A 24 1.344 -15.033 4.618 1.00 62.34 H new ATOM 174 N ARG A 25 3.711 -13.364 6.247 1.00 3.31 N ATOM 175 CA ARG A 25 4.870 -14.004 5.676 1.00 51.32 C ATOM 176 C ARG A 25 6.099 -13.791 6.592 1.00 34.11 C ATOM 177 O ARG A 25 6.797 -14.747 6.942 1.00 54.02 O ATOM 178 CB ARG A 25 5.029 -13.279 4.367 1.00 21.23 C ATOM 179 CG ARG A 25 5.960 -13.772 3.314 1.00 62.13 C ATOM 180 CD ARG A 25 6.004 -12.664 2.275 1.00 43.52 C ATOM 181 NE ARG A 25 6.125 -13.098 0.904 1.00 62.34 N ATOM 182 CZ ARG A 25 5.932 -12.263 -0.135 1.00 32.12 C ATOM 183 NH1 ARG A 25 5.970 -10.940 0.038 1.00 12.12 N ATOM 184 NH2 ARG A 25 5.710 -12.743 -1.333 1.00 41.24 N ATOM 0 H ARG A 25 3.279 -12.713 5.591 1.00 3.31 H new ATOM 0 HA ARG A 25 4.773 -15.083 5.556 1.00 51.32 H new ATOM 0 HB2 ARG A 25 4.039 -13.222 3.914 1.00 21.23 H new ATOM 0 HB3 ARG A 25 5.330 -12.259 4.604 1.00 21.23 H new ATOM 0 HG2 ARG A 25 6.951 -13.968 3.724 1.00 62.13 H new ATOM 0 HG3 ARG A 25 5.605 -14.706 2.879 1.00 62.13 H new ATOM 0 HD2 ARG A 25 5.097 -12.066 2.369 1.00 43.52 H new ATOM 0 HD3 ARG A 25 6.844 -12.008 2.505 1.00 43.52 H new ATOM 0 HE ARG A 25 6.365 -14.071 0.715 1.00 62.34 H new ATOM 0 HH11 ARG A 25 6.147 -10.552 0.964 1.00 12.12 H new ATOM 0 HH12 ARG A 25 5.822 -10.317 -0.756 1.00 12.12 H new ATOM 0 HH21 ARG A 25 5.683 -13.752 -1.481 1.00 41.24 H new ATOM 0 HH22 ARG A 25 5.564 -12.108 -2.118 1.00 41.24 H new ATOM 198 N GLU A 26 6.305 -12.541 7.015 1.00 33.14 N ATOM 199 CA GLU A 26 7.420 -12.160 7.898 1.00 22.21 C ATOM 200 C GLU A 26 7.324 -12.866 9.244 1.00 13.43 C ATOM 201 O GLU A 26 8.324 -13.394 9.756 1.00 33.51 O ATOM 202 CB GLU A 26 7.445 -10.643 8.093 1.00 2.11 C ATOM 203 CG GLU A 26 7.567 -9.890 6.789 1.00 41.33 C ATOM 204 CD GLU A 26 7.470 -8.386 6.924 1.00 24.43 C ATOM 205 OE1 GLU A 26 6.577 -7.898 7.644 1.00 22.25 O ATOM 206 OE2 GLU A 26 8.276 -7.687 6.264 1.00 25.33 O ATOM 0 H GLU A 26 5.703 -11.759 6.756 1.00 33.14 H new ATOM 0 HA GLU A 26 8.350 -12.472 7.422 1.00 22.21 H new ATOM 0 HB2 GLU A 26 6.534 -10.331 8.604 1.00 2.11 H new ATOM 0 HB3 GLU A 26 8.281 -10.378 8.741 1.00 2.11 H new ATOM 0 HG2 GLU A 26 8.522 -10.140 6.327 1.00 41.33 H new ATOM 0 HG3 GLU A 26 6.785 -10.233 6.111 1.00 41.33 H new ATOM 213 N ARG A 27 6.126 -12.909 9.810 1.00 62.51 N ATOM 214 CA ARG A 27 5.928 -13.578 11.046 1.00 52.44 C ATOM 215 C ARG A 27 6.097 -15.074 10.895 1.00 2.13 C ATOM 216 O ARG A 27 6.677 -15.694 11.745 1.00 31.22 O ATOM 217 CB ARG A 27 4.589 -13.240 11.648 1.00 11.22 C ATOM 218 CG ARG A 27 4.331 -13.984 12.934 1.00 43.52 C ATOM 219 CD ARG A 27 5.440 -13.813 13.976 1.00 54.01 C ATOM 220 NE ARG A 27 5.329 -14.809 15.041 1.00 20.32 N ATOM 221 CZ ARG A 27 6.212 -15.017 16.011 1.00 4.11 C ATOM 222 NH1 ARG A 27 7.314 -14.253 16.110 1.00 55.43 N ATOM 223 NH2 ARG A 27 6.006 -16.023 16.860 1.00 11.03 N ATOM 0 H ARG A 27 5.288 -12.482 9.416 1.00 62.51 H new ATOM 0 HA ARG A 27 6.696 -13.225 11.734 1.00 52.44 H new ATOM 0 HB2 ARG A 27 4.539 -12.167 11.836 1.00 11.22 H new ATOM 0 HB3 ARG A 27 3.802 -13.475 10.931 1.00 11.22 H new ATOM 0 HG2 ARG A 27 3.388 -13.640 13.360 1.00 43.52 H new ATOM 0 HG3 ARG A 27 4.213 -15.045 12.713 1.00 43.52 H new ATOM 0 HD2 ARG A 27 6.413 -13.902 13.492 1.00 54.01 H new ATOM 0 HD3 ARG A 27 5.388 -12.812 14.405 1.00 54.01 H new ATOM 0 HE ARG A 27 4.497 -15.398 15.039 1.00 20.32 H new ATOM 0 HH11 ARG A 27 7.478 -13.505 15.436 1.00 55.43 H new ATOM 0 HH12 ARG A 27 7.986 -14.421 16.859 1.00 55.43 H new ATOM 0 HH21 ARG A 27 5.182 -16.616 16.758 1.00 11.03 H new ATOM 0 HH22 ARG A 27 6.672 -16.200 17.612 1.00 11.03 H new ATOM 237 N LEU A 28 5.651 -15.623 9.784 1.00 13.43 N ATOM 238 CA LEU A 28 5.734 -17.063 9.536 1.00 74.32 C ATOM 239 C LEU A 28 7.156 -17.527 9.521 1.00 44.44 C ATOM 240 O LEU A 28 7.464 -18.572 10.048 1.00 72.02 O ATOM 241 CB LEU A 28 5.028 -17.434 8.254 1.00 53.55 C ATOM 242 CG LEU A 28 3.517 -17.342 8.308 1.00 42.43 C ATOM 243 CD1 LEU A 28 2.959 -17.434 6.939 1.00 22.31 C ATOM 244 CD2 LEU A 28 2.950 -18.455 9.154 1.00 2.12 C ATOM 0 H LEU A 28 5.221 -15.094 9.025 1.00 13.43 H new ATOM 0 HA LEU A 28 5.227 -17.572 10.356 1.00 74.32 H new ATOM 0 HB2 LEU A 28 5.389 -16.784 7.457 1.00 53.55 H new ATOM 0 HB3 LEU A 28 5.306 -18.453 7.985 1.00 53.55 H new ATOM 0 HG LEU A 28 3.244 -16.385 8.752 1.00 42.43 H new ATOM 0 HD11 LEU A 28 1.872 -17.367 6.984 1.00 22.31 H new ATOM 0 HD12 LEU A 28 3.348 -16.617 6.332 1.00 22.31 H new ATOM 0 HD13 LEU A 28 3.246 -18.386 6.492 1.00 22.31 H new ATOM 0 HD21 LEU A 28 1.863 -18.373 9.182 1.00 2.12 H new ATOM 0 HD22 LEU A 28 3.231 -19.417 8.725 1.00 2.12 H new ATOM 0 HD23 LEU A 28 3.346 -18.380 10.167 1.00 2.12 H new ATOM 256 N ILE A 29 8.008 -16.719 8.943 1.00 31.13 N ATOM 257 CA ILE A 29 9.439 -16.937 8.959 1.00 3.13 C ATOM 258 C ILE A 29 9.914 -17.188 10.411 1.00 54.34 C ATOM 259 O ILE A 29 10.542 -18.189 10.700 1.00 74.15 O ATOM 260 CB ILE A 29 10.140 -15.690 8.350 1.00 53.42 C ATOM 261 CG1 ILE A 29 9.957 -15.664 6.820 1.00 41.32 C ATOM 262 CG2 ILE A 29 11.595 -15.592 8.754 1.00 15.52 C ATOM 263 CD1 ILE A 29 10.516 -14.428 6.140 1.00 34.53 C ATOM 0 H ILE A 29 7.727 -15.878 8.440 1.00 31.13 H new ATOM 0 HA ILE A 29 9.695 -17.814 8.365 1.00 3.13 H new ATOM 0 HB ILE A 29 9.658 -14.803 8.761 1.00 53.42 H new ATOM 0 HG12 ILE A 29 10.437 -16.545 6.394 1.00 41.32 H new ATOM 0 HG13 ILE A 29 8.894 -15.739 6.593 1.00 41.32 H new ATOM 0 HG21 ILE A 29 12.039 -14.705 8.303 1.00 15.52 H new ATOM 0 HG22 ILE A 29 11.667 -15.522 9.839 1.00 15.52 H new ATOM 0 HG23 ILE A 29 12.128 -16.479 8.411 1.00 15.52 H new ATOM 0 HD11 ILE A 29 10.343 -14.494 5.066 1.00 34.53 H new ATOM 0 HD12 ILE A 29 10.020 -13.541 6.533 1.00 34.53 H new ATOM 0 HD13 ILE A 29 11.587 -14.360 6.332 1.00 34.53 H new ATOM 275 N GLN A 30 9.514 -16.321 11.308 1.00 15.53 N ATOM 276 CA GLN A 30 9.897 -16.421 12.709 1.00 51.32 C ATOM 277 C GLN A 30 9.129 -17.556 13.411 1.00 21.13 C ATOM 278 O GLN A 30 9.686 -18.315 14.190 1.00 51.43 O ATOM 279 CB GLN A 30 9.564 -15.118 13.421 1.00 62.33 C ATOM 280 CG GLN A 30 10.206 -13.873 12.852 1.00 12.14 C ATOM 281 CD GLN A 30 9.811 -12.640 13.644 1.00 23.02 C ATOM 282 OE1 GLN A 30 8.720 -12.580 14.233 1.00 73.05 O ATOM 283 NE2 GLN A 30 10.673 -11.659 13.674 1.00 13.41 N ATOM 0 H GLN A 30 8.914 -15.524 11.096 1.00 15.53 H new ATOM 0 HA GLN A 30 10.967 -16.626 12.751 1.00 51.32 H new ATOM 0 HB2 GLN A 30 8.482 -14.985 13.407 1.00 62.33 H new ATOM 0 HB3 GLN A 30 9.860 -15.211 14.466 1.00 62.33 H new ATOM 0 HG2 GLN A 30 11.290 -13.983 12.862 1.00 12.14 H new ATOM 0 HG3 GLN A 30 9.908 -13.750 11.811 1.00 12.14 H new ATOM 0 HE21 GLN A 30 11.560 -11.744 13.178 1.00 13.41 H new ATOM 0 HE22 GLN A 30 10.459 -10.808 14.194 1.00 13.41 H new ATOM 292 N GLU A 31 7.856 -17.640 13.096 1.00 13.33 N ATOM 293 CA GLU A 31 6.891 -18.548 13.711 1.00 51.15 C ATOM 294 C GLU A 31 7.263 -20.015 13.461 1.00 4.23 C ATOM 295 O GLU A 31 7.108 -20.866 14.334 1.00 33.03 O ATOM 296 CB GLU A 31 5.512 -18.252 13.101 1.00 21.12 C ATOM 297 CG GLU A 31 4.330 -18.772 13.877 1.00 12.35 C ATOM 298 CD GLU A 31 4.224 -18.129 15.237 1.00 1.53 C ATOM 299 OE1 GLU A 31 3.790 -16.972 15.320 1.00 61.04 O ATOM 300 OE2 GLU A 31 4.573 -18.773 16.238 1.00 63.04 O ATOM 0 H GLU A 31 7.438 -17.055 12.373 1.00 13.33 H new ATOM 0 HA GLU A 31 6.885 -18.392 14.790 1.00 51.15 H new ATOM 0 HB2 GLU A 31 5.407 -17.172 12.994 1.00 21.12 H new ATOM 0 HB3 GLU A 31 5.480 -18.677 12.098 1.00 21.12 H new ATOM 0 HG2 GLU A 31 3.415 -18.585 13.314 1.00 12.35 H new ATOM 0 HG3 GLU A 31 4.418 -19.852 13.992 1.00 12.35 H new ATOM 307 N LEU A 32 7.760 -20.286 12.272 1.00 10.52 N ATOM 308 CA LEU A 32 8.120 -21.636 11.870 1.00 20.04 C ATOM 309 C LEU A 32 9.587 -21.922 12.198 1.00 51.30 C ATOM 310 O LEU A 32 10.087 -23.008 11.915 1.00 3.42 O ATOM 311 CB LEU A 32 7.914 -21.793 10.367 1.00 63.14 C ATOM 312 CG LEU A 32 6.548 -21.385 9.802 1.00 63.13 C ATOM 313 CD1 LEU A 32 6.565 -21.514 8.316 1.00 61.23 C ATOM 314 CD2 LEU A 32 5.412 -22.204 10.380 1.00 34.15 C ATOM 0 H LEU A 32 7.927 -19.580 11.555 1.00 10.52 H new ATOM 0 HA LEU A 32 7.487 -22.338 12.413 1.00 20.04 H new ATOM 0 HB2 LEU A 32 8.679 -21.207 9.858 1.00 63.14 H new ATOM 0 HB3 LEU A 32 8.088 -22.838 10.109 1.00 63.14 H new ATOM 0 HG LEU A 32 6.371 -20.348 10.088 1.00 63.13 H new ATOM 0 HD11 LEU A 32 5.594 -21.224 7.914 1.00 61.23 H new ATOM 0 HD12 LEU A 32 7.337 -20.865 7.903 1.00 61.23 H new ATOM 0 HD13 LEU A 32 6.776 -22.548 8.043 1.00 61.23 H new ATOM 0 HD21 LEU A 32 4.468 -21.874 9.946 1.00 34.15 H new ATOM 0 HD22 LEU A 32 5.569 -23.258 10.149 1.00 34.15 H new ATOM 0 HD23 LEU A 32 5.381 -22.070 11.461 1.00 34.15 H new ATOM 326 N ASN A 33 10.266 -20.921 12.795 1.00 3.21 N ATOM 327 CA ASN A 33 11.706 -20.994 13.140 1.00 62.21 C ATOM 328 C ASN A 33 12.511 -21.174 11.833 1.00 23.41 C ATOM 329 O ASN A 33 13.461 -21.959 11.734 1.00 71.05 O ATOM 330 CB ASN A 33 11.966 -22.153 14.149 1.00 11.34 C ATOM 331 CG ASN A 33 13.351 -22.120 14.812 1.00 73.41 C ATOM 332 OD1 ASN A 33 13.533 -21.523 15.866 1.00 32.42 O ATOM 333 ND2 ASN A 33 14.322 -22.757 14.210 1.00 35.13 N ATOM 0 H ASN A 33 9.832 -20.035 13.053 1.00 3.21 H new ATOM 0 HA ASN A 33 12.028 -20.074 13.629 1.00 62.21 H new ATOM 0 HB2 ASN A 33 11.204 -22.119 14.927 1.00 11.34 H new ATOM 0 HB3 ASN A 33 11.848 -23.104 13.629 1.00 11.34 H new ATOM 0 HD21 ASN A 33 15.257 -22.764 14.618 1.00 35.13 H new ATOM 0 HD22 ASN A 33 14.144 -23.247 13.333 1.00 35.13 H new ATOM 340 N LEU A 34 12.128 -20.410 10.844 1.00 2.32 N ATOM 341 CA LEU A 34 12.711 -20.484 9.537 1.00 61.15 C ATOM 342 C LEU A 34 13.328 -19.160 9.125 1.00 75.21 C ATOM 343 O LEU A 34 13.343 -18.198 9.880 1.00 33.03 O ATOM 344 CB LEU A 34 11.661 -20.937 8.500 1.00 63.40 C ATOM 345 CG LEU A 34 11.239 -22.410 8.559 1.00 75.21 C ATOM 346 CD1 LEU A 34 10.248 -22.726 7.455 1.00 15.54 C ATOM 347 CD2 LEU A 34 12.453 -23.330 8.464 1.00 3.01 C ATOM 0 H LEU A 34 11.391 -19.710 10.929 1.00 2.32 H new ATOM 0 HA LEU A 34 13.510 -21.224 9.574 1.00 61.15 H new ATOM 0 HB2 LEU A 34 10.770 -20.321 8.623 1.00 63.40 H new ATOM 0 HB3 LEU A 34 12.054 -20.733 7.504 1.00 63.40 H new ATOM 0 HG LEU A 34 10.755 -22.583 9.520 1.00 75.21 H new ATOM 0 HD11 LEU A 34 9.961 -23.776 7.514 1.00 15.54 H new ATOM 0 HD12 LEU A 34 9.363 -22.100 7.571 1.00 15.54 H new ATOM 0 HD13 LEU A 34 10.707 -22.529 6.486 1.00 15.54 H new ATOM 0 HD21 LEU A 34 12.126 -24.369 8.508 1.00 3.01 H new ATOM 0 HD22 LEU A 34 12.971 -23.152 7.522 1.00 3.01 H new ATOM 0 HD23 LEU A 34 13.129 -23.127 9.294 1.00 3.01 H new ATOM 359 N THR A 35 13.860 -19.134 7.938 1.00 0.24 N ATOM 360 CA THR A 35 14.449 -17.959 7.378 1.00 54.11 C ATOM 361 C THR A 35 13.786 -17.739 6.018 1.00 75.21 C ATOM 362 O THR A 35 13.170 -18.672 5.499 1.00 41.33 O ATOM 363 CB THR A 35 15.982 -18.163 7.199 1.00 25.31 C ATOM 364 OG1 THR A 35 16.221 -19.307 6.375 1.00 25.44 O ATOM 365 CG2 THR A 35 16.669 -18.368 8.545 1.00 32.30 C ATOM 0 H THR A 35 13.896 -19.946 7.322 1.00 0.24 H new ATOM 0 HA THR A 35 14.301 -17.098 8.030 1.00 54.11 H new ATOM 0 HB THR A 35 16.391 -17.268 6.730 1.00 25.31 H new ATOM 0 HG1 THR A 35 17.186 -19.433 6.262 1.00 25.44 H new ATOM 0 HG21 THR A 35 17.739 -18.508 8.390 1.00 32.30 H new ATOM 0 HG22 THR A 35 16.505 -17.493 9.174 1.00 32.30 H new ATOM 0 HG23 THR A 35 16.255 -19.250 9.034 1.00 32.30 H new ATOM 373 N PRO A 36 13.881 -16.537 5.407 1.00 4.44 N ATOM 374 CA PRO A 36 13.271 -16.265 4.078 1.00 62.32 C ATOM 375 C PRO A 36 13.819 -17.175 2.951 1.00 33.30 C ATOM 376 O PRO A 36 13.251 -17.257 1.883 1.00 63.14 O ATOM 377 CB PRO A 36 13.642 -14.797 3.803 1.00 31.03 C ATOM 378 CG PRO A 36 14.763 -14.494 4.742 1.00 41.41 C ATOM 379 CD PRO A 36 14.517 -15.327 5.962 1.00 22.32 C ATOM 0 HA PRO A 36 12.199 -16.461 4.092 1.00 62.32 H new ATOM 0 HB2 PRO A 36 13.948 -14.656 2.766 1.00 31.03 H new ATOM 0 HB3 PRO A 36 12.793 -14.137 3.978 1.00 31.03 H new ATOM 0 HG2 PRO A 36 15.725 -14.737 4.292 1.00 41.41 H new ATOM 0 HG3 PRO A 36 14.786 -13.433 4.992 1.00 41.41 H new ATOM 0 HD2 PRO A 36 15.444 -15.561 6.486 1.00 22.32 H new ATOM 0 HD3 PRO A 36 13.867 -14.819 6.675 1.00 22.32 H new ATOM 387 N GLN A 37 14.934 -17.842 3.212 1.00 2.24 N ATOM 388 CA GLN A 37 15.537 -18.745 2.232 1.00 41.45 C ATOM 389 C GLN A 37 15.159 -20.189 2.523 1.00 53.23 C ATOM 390 O GLN A 37 15.664 -21.117 1.905 1.00 44.30 O ATOM 391 CB GLN A 37 17.054 -18.572 2.184 1.00 43.41 C ATOM 392 CG GLN A 37 17.508 -17.191 1.730 1.00 23.22 C ATOM 393 CD GLN A 37 19.018 -17.039 1.734 1.00 14.15 C ATOM 394 OE1 GLN A 37 19.750 -17.992 1.546 1.00 45.14 O ATOM 395 NE2 GLN A 37 19.491 -15.835 1.940 1.00 44.13 N ATOM 0 H GLN A 37 15.443 -17.777 4.094 1.00 2.24 H new ATOM 0 HA GLN A 37 15.144 -18.486 1.249 1.00 41.45 H new ATOM 0 HB2 GLN A 37 17.463 -18.770 3.175 1.00 43.41 H new ATOM 0 HB3 GLN A 37 17.473 -19.320 1.511 1.00 43.41 H new ATOM 0 HG2 GLN A 37 17.131 -17.001 0.725 1.00 23.22 H new ATOM 0 HG3 GLN A 37 17.069 -16.436 2.383 1.00 23.22 H new ATOM 0 HE21 GLN A 37 18.852 -15.055 2.095 1.00 44.13 H new ATOM 0 HE22 GLN A 37 20.499 -15.677 1.946 1.00 44.13 H new ATOM 404 N GLN A 38 14.306 -20.364 3.489 1.00 24.03 N ATOM 405 CA GLN A 38 13.770 -21.665 3.827 1.00 44.34 C ATOM 406 C GLN A 38 12.279 -21.613 3.681 1.00 42.52 C ATOM 407 O GLN A 38 11.657 -22.527 3.171 1.00 33.34 O ATOM 408 CB GLN A 38 14.166 -22.075 5.246 1.00 62.01 C ATOM 409 CG GLN A 38 15.654 -22.338 5.414 1.00 34.12 C ATOM 410 CD GLN A 38 16.124 -23.566 4.651 1.00 73.44 C ATOM 411 OE1 GLN A 38 16.137 -24.659 5.182 1.00 23.12 O ATOM 412 NE2 GLN A 38 16.476 -23.401 3.401 1.00 65.45 N ATOM 0 H GLN A 38 13.955 -19.606 4.074 1.00 24.03 H new ATOM 0 HA GLN A 38 14.182 -22.416 3.153 1.00 44.34 H new ATOM 0 HB2 GLN A 38 13.864 -21.290 5.939 1.00 62.01 H new ATOM 0 HB3 GLN A 38 13.614 -22.973 5.522 1.00 62.01 H new ATOM 0 HG2 GLN A 38 16.213 -21.467 5.072 1.00 34.12 H new ATOM 0 HG3 GLN A 38 15.879 -22.466 6.473 1.00 34.12 H new ATOM 0 HE21 GLN A 38 16.454 -22.471 2.984 1.00 65.45 H new ATOM 0 HE22 GLN A 38 16.772 -24.203 2.844 1.00 65.45 H new ATOM 421 N LEU A 39 11.708 -20.517 4.110 1.00 52.22 N ATOM 422 CA LEU A 39 10.315 -20.312 3.966 1.00 30.15 C ATOM 423 C LEU A 39 10.079 -19.536 2.690 1.00 31.13 C ATOM 424 O LEU A 39 10.124 -18.312 2.670 1.00 52.11 O ATOM 425 CB LEU A 39 9.716 -19.611 5.222 1.00 34.20 C ATOM 426 CG LEU A 39 8.176 -19.505 5.346 1.00 32.34 C ATOM 427 CD1 LEU A 39 7.601 -18.375 4.514 1.00 15.43 C ATOM 428 CD2 LEU A 39 7.534 -20.814 4.955 1.00 22.40 C ATOM 0 H LEU A 39 12.205 -19.752 4.566 1.00 52.22 H new ATOM 0 HA LEU A 39 9.797 -21.268 3.891 1.00 30.15 H new ATOM 0 HB2 LEU A 39 10.084 -20.138 6.102 1.00 34.20 H new ATOM 0 HB3 LEU A 39 10.122 -18.600 5.263 1.00 34.20 H new ATOM 0 HG LEU A 39 7.953 -19.281 6.389 1.00 32.34 H new ATOM 0 HD11 LEU A 39 6.518 -18.346 4.638 1.00 15.43 H new ATOM 0 HD12 LEU A 39 8.029 -17.428 4.842 1.00 15.43 H new ATOM 0 HD13 LEU A 39 7.842 -18.538 3.463 1.00 15.43 H new ATOM 0 HD21 LEU A 39 6.451 -20.729 5.045 1.00 22.40 H new ATOM 0 HD22 LEU A 39 7.794 -21.053 3.924 1.00 22.40 H new ATOM 0 HD23 LEU A 39 7.892 -21.606 5.613 1.00 22.40 H new ATOM 440 N HIS A 40 9.997 -20.267 1.620 1.00 23.33 N ATOM 441 CA HIS A 40 9.621 -19.712 0.343 1.00 73.52 C ATOM 442 C HIS A 40 8.109 -19.773 0.194 1.00 11.04 C ATOM 443 O HIS A 40 7.443 -20.486 0.949 1.00 34.51 O ATOM 444 CB HIS A 40 10.363 -20.380 -0.845 1.00 12.30 C ATOM 445 CG HIS A 40 10.160 -21.862 -1.043 1.00 2.11 C ATOM 446 ND1 HIS A 40 9.434 -22.396 -2.075 1.00 14.44 N ATOM 447 CD2 HIS A 40 10.670 -22.919 -0.363 1.00 5.11 C ATOM 448 CE1 HIS A 40 9.516 -23.725 -2.000 1.00 1.30 C ATOM 449 NE2 HIS A 40 10.257 -24.098 -0.977 1.00 24.25 N ATOM 0 H HIS A 40 10.188 -21.269 1.602 1.00 23.33 H new ATOM 0 HA HIS A 40 9.933 -18.668 0.316 1.00 73.52 H new ATOM 0 HB2 HIS A 40 10.059 -19.873 -1.761 1.00 12.30 H new ATOM 0 HB3 HIS A 40 11.431 -20.200 -0.720 1.00 12.30 H new ATOM 0 HD1 HIS A 40 8.919 -21.868 -2.780 1.00 14.44 H new ATOM 0 HD2 HIS A 40 11.296 -22.856 0.515 1.00 5.11 H new ATOM 0 HE1 HIS A 40 9.037 -24.406 -2.688 1.00 1.30 H new ATOM 457 N GLU A 41 7.582 -19.052 -0.756 1.00 34.32 N ATOM 458 CA GLU A 41 6.138 -18.902 -0.953 1.00 34.23 C ATOM 459 C GLU A 41 5.418 -20.237 -1.188 1.00 41.00 C ATOM 460 O GLU A 41 4.273 -20.436 -0.741 1.00 62.04 O ATOM 461 CB GLU A 41 5.897 -17.981 -2.137 1.00 70.12 C ATOM 462 CG GLU A 41 6.539 -16.619 -1.982 1.00 44.04 C ATOM 463 CD GLU A 41 5.989 -15.856 -0.811 1.00 71.23 C ATOM 464 OE1 GLU A 41 4.917 -15.272 -0.949 1.00 20.14 O ATOM 465 OE2 GLU A 41 6.638 -15.776 0.236 1.00 50.50 O ATOM 0 H GLU A 41 8.141 -18.536 -1.436 1.00 34.32 H new ATOM 0 HA GLU A 41 5.727 -18.481 -0.036 1.00 34.23 H new ATOM 0 HB2 GLU A 41 6.282 -18.455 -3.040 1.00 70.12 H new ATOM 0 HB3 GLU A 41 4.823 -17.854 -2.276 1.00 70.12 H new ATOM 0 HG2 GLU A 41 7.615 -16.740 -1.860 1.00 44.04 H new ATOM 0 HG3 GLU A 41 6.384 -16.042 -2.893 1.00 44.04 H new ATOM 472 N GLU A 42 6.088 -21.140 -1.856 1.00 62.42 N ATOM 473 CA GLU A 42 5.519 -22.420 -2.243 1.00 52.30 C ATOM 474 C GLU A 42 5.559 -23.430 -1.093 1.00 23.42 C ATOM 475 O GLU A 42 4.992 -24.519 -1.206 1.00 53.42 O ATOM 476 CB GLU A 42 6.259 -23.015 -3.468 1.00 12.43 C ATOM 477 CG GLU A 42 6.318 -22.133 -4.732 1.00 5.43 C ATOM 478 CD GLU A 42 7.104 -20.849 -4.530 1.00 22.31 C ATOM 479 OE1 GLU A 42 8.110 -20.879 -3.765 1.00 24.23 O ATOM 480 OE2 GLU A 42 6.715 -19.822 -5.073 1.00 22.34 O ATOM 0 H GLU A 42 7.055 -21.013 -2.153 1.00 62.42 H new ATOM 0 HA GLU A 42 4.478 -22.231 -2.507 1.00 52.30 H new ATOM 0 HB2 GLU A 42 7.280 -23.250 -3.168 1.00 12.43 H new ATOM 0 HB3 GLU A 42 5.779 -23.957 -3.732 1.00 12.43 H new ATOM 0 HG2 GLU A 42 6.769 -22.703 -5.544 1.00 5.43 H new ATOM 0 HG3 GLU A 42 5.303 -21.885 -5.042 1.00 5.43 H new ATOM 487 N SER A 43 6.246 -23.086 -0.010 1.00 43.53 N ATOM 488 CA SER A 43 6.321 -23.969 1.147 1.00 23.33 C ATOM 489 C SER A 43 4.932 -24.216 1.732 1.00 64.11 C ATOM 490 O SER A 43 4.167 -23.260 1.974 1.00 24.02 O ATOM 491 CB SER A 43 7.175 -23.339 2.238 1.00 31.41 C ATOM 492 OG SER A 43 8.385 -22.857 1.721 1.00 63.45 O ATOM 0 H SER A 43 6.756 -22.208 0.091 1.00 43.53 H new ATOM 0 HA SER A 43 6.759 -24.909 0.812 1.00 23.33 H new ATOM 0 HB2 SER A 43 6.626 -22.522 2.707 1.00 31.41 H new ATOM 0 HB3 SER A 43 7.377 -24.075 3.016 1.00 31.41 H new ATOM 0 HG SER A 43 8.239 -21.980 1.310 1.00 63.45 H new ATOM 498 N ASN A 44 4.588 -25.480 1.926 1.00 42.14 N ATOM 499 CA ASN A 44 3.370 -25.810 2.636 1.00 62.01 C ATOM 500 C ASN A 44 3.647 -25.454 4.066 1.00 22.11 C ATOM 501 O ASN A 44 4.554 -26.022 4.665 1.00 71.42 O ATOM 502 CB ASN A 44 3.046 -27.309 2.567 1.00 22.31 C ATOM 503 CG ASN A 44 1.644 -27.656 3.100 1.00 74.12 C ATOM 504 OD1 ASN A 44 1.128 -27.018 4.015 1.00 4.42 O ATOM 505 ND2 ASN A 44 1.025 -28.661 2.528 1.00 11.44 N ATOM 0 H ASN A 44 5.130 -26.282 1.605 1.00 42.14 H new ATOM 0 HA ASN A 44 2.523 -25.279 2.201 1.00 62.01 H new ATOM 0 HB2 ASN A 44 3.127 -27.643 1.533 1.00 22.31 H new ATOM 0 HB3 ASN A 44 3.791 -27.861 3.140 1.00 22.31 H new ATOM 0 HD21 ASN A 44 0.092 -28.930 2.841 1.00 11.44 H new ATOM 0 HD22 ASN A 44 1.477 -29.174 1.770 1.00 11.44 H new ATOM 512 N LEU A 45 2.897 -24.540 4.609 1.00 2.00 N ATOM 513 CA LEU A 45 3.186 -24.032 5.934 1.00 22.05 C ATOM 514 C LEU A 45 3.014 -25.092 6.989 1.00 43.44 C ATOM 515 O LEU A 45 3.779 -25.147 7.941 1.00 73.04 O ATOM 516 CB LEU A 45 2.346 -22.819 6.256 1.00 54.33 C ATOM 517 CG LEU A 45 2.456 -21.650 5.291 1.00 1.32 C ATOM 518 CD1 LEU A 45 1.625 -20.505 5.796 1.00 21.30 C ATOM 519 CD2 LEU A 45 3.902 -21.209 5.099 1.00 70.34 C ATOM 0 H LEU A 45 2.079 -24.126 4.162 1.00 2.00 H new ATOM 0 HA LEU A 45 4.233 -23.729 5.935 1.00 22.05 H new ATOM 0 HB2 LEU A 45 1.302 -23.128 6.302 1.00 54.33 H new ATOM 0 HB3 LEU A 45 2.619 -22.468 7.251 1.00 54.33 H new ATOM 0 HG LEU A 45 2.084 -21.975 4.319 1.00 1.32 H new ATOM 0 HD11 LEU A 45 1.703 -19.666 5.105 1.00 21.30 H new ATOM 0 HD12 LEU A 45 0.583 -20.817 5.872 1.00 21.30 H new ATOM 0 HD13 LEU A 45 1.985 -20.200 6.779 1.00 21.30 H new ATOM 0 HD21 LEU A 45 3.938 -20.371 4.402 1.00 70.34 H new ATOM 0 HD22 LEU A 45 4.319 -20.901 6.058 1.00 70.34 H new ATOM 0 HD23 LEU A 45 4.485 -22.038 4.699 1.00 70.34 H new ATOM 531 N ILE A 46 2.045 -25.957 6.797 1.00 42.21 N ATOM 532 CA ILE A 46 1.786 -27.038 7.754 1.00 11.52 C ATOM 533 C ILE A 46 2.987 -27.989 7.778 1.00 42.10 C ATOM 534 O ILE A 46 3.443 -28.426 8.830 1.00 5.23 O ATOM 535 CB ILE A 46 0.485 -27.809 7.400 1.00 54.02 C ATOM 536 CG1 ILE A 46 -0.699 -26.825 7.346 1.00 5.10 C ATOM 537 CG2 ILE A 46 0.219 -28.924 8.419 1.00 70.44 C ATOM 538 CD1 ILE A 46 -2.035 -27.466 7.013 1.00 15.11 C ATOM 0 H ILE A 46 1.418 -25.944 5.993 1.00 42.21 H new ATOM 0 HA ILE A 46 1.645 -26.603 8.744 1.00 11.52 H new ATOM 0 HB ILE A 46 0.604 -28.275 6.422 1.00 54.02 H new ATOM 0 HG12 ILE A 46 -0.782 -26.322 8.310 1.00 5.10 H new ATOM 0 HG13 ILE A 46 -0.483 -26.057 6.603 1.00 5.10 H new ATOM 0 HG21 ILE A 46 -0.697 -29.451 8.151 1.00 70.44 H new ATOM 0 HG22 ILE A 46 1.054 -29.625 8.418 1.00 70.44 H new ATOM 0 HG23 ILE A 46 0.111 -28.490 9.413 1.00 70.44 H new ATOM 0 HD11 ILE A 46 -2.811 -26.701 6.996 1.00 15.11 H new ATOM 0 HD12 ILE A 46 -1.975 -27.944 6.035 1.00 15.11 H new ATOM 0 HD13 ILE A 46 -2.278 -28.213 7.768 1.00 15.11 H new ATOM 550 N GLN A 47 3.560 -28.185 6.607 1.00 2.23 N ATOM 551 CA GLN A 47 4.728 -29.040 6.426 1.00 34.32 C ATOM 552 C GLN A 47 5.995 -28.324 6.914 1.00 1.05 C ATOM 553 O GLN A 47 7.059 -28.917 7.007 1.00 71.22 O ATOM 554 CB GLN A 47 4.866 -29.418 4.941 1.00 64.25 C ATOM 555 CG GLN A 47 3.713 -30.251 4.388 1.00 74.41 C ATOM 556 CD GLN A 47 3.488 -31.542 5.154 1.00 74.41 C ATOM 557 OE1 GLN A 47 2.720 -31.586 6.093 1.00 51.41 O ATOM 558 NE2 GLN A 47 4.163 -32.591 4.760 1.00 0.11 N ATOM 0 H GLN A 47 3.229 -27.754 5.744 1.00 2.23 H new ATOM 0 HA GLN A 47 4.599 -29.948 7.015 1.00 34.32 H new ATOM 0 HB2 GLN A 47 4.951 -28.504 4.353 1.00 64.25 H new ATOM 0 HB3 GLN A 47 5.795 -29.972 4.805 1.00 64.25 H new ATOM 0 HG2 GLN A 47 2.799 -29.657 4.413 1.00 74.41 H new ATOM 0 HG3 GLN A 47 3.912 -30.486 3.342 1.00 74.41 H new ATOM 0 HE21 GLN A 47 4.800 -32.519 3.967 1.00 0.11 H new ATOM 0 HE22 GLN A 47 4.052 -33.481 5.246 1.00 0.11 H new ATOM 567 N ALA A 48 5.855 -27.042 7.200 1.00 31.41 N ATOM 568 CA ALA A 48 6.948 -26.216 7.657 1.00 64.01 C ATOM 569 C ALA A 48 6.853 -25.958 9.167 1.00 63.14 C ATOM 570 O ALA A 48 7.629 -25.191 9.720 1.00 44.34 O ATOM 571 CB ALA A 48 6.968 -24.902 6.877 1.00 40.34 C ATOM 0 H ALA A 48 4.969 -26.544 7.119 1.00 31.41 H new ATOM 0 HA ALA A 48 7.883 -26.745 7.475 1.00 64.01 H new ATOM 0 HB1 ALA A 48 7.795 -24.284 7.227 1.00 40.34 H new ATOM 0 HB2 ALA A 48 7.095 -25.111 5.815 1.00 40.34 H new ATOM 0 HB3 ALA A 48 6.028 -24.372 7.032 1.00 40.34 H new ATOM 577 N GLY A 49 5.890 -26.596 9.828 1.00 20.02 N ATOM 578 CA GLY A 49 5.789 -26.461 11.272 1.00 4.23 C ATOM 579 C GLY A 49 4.595 -25.648 11.739 1.00 55.03 C ATOM 580 O GLY A 49 4.490 -25.310 12.923 1.00 4.32 O ATOM 0 H GLY A 49 5.187 -27.196 9.397 1.00 20.02 H new ATOM 0 HA2 GLY A 49 5.733 -27.455 11.716 1.00 4.23 H new ATOM 0 HA3 GLY A 49 6.700 -25.995 11.647 1.00 4.23 H new ATOM 584 N LEU A 50 3.705 -25.319 10.836 1.00 35.23 N ATOM 585 CA LEU A 50 2.513 -24.583 11.201 1.00 12.52 C ATOM 586 C LEU A 50 1.451 -25.567 11.615 1.00 11.15 C ATOM 587 O LEU A 50 0.984 -26.355 10.793 1.00 10.24 O ATOM 588 CB LEU A 50 1.989 -23.766 10.010 1.00 33.22 C ATOM 589 CG LEU A 50 0.949 -22.695 10.319 1.00 12.40 C ATOM 590 CD1 LEU A 50 1.613 -21.491 10.948 1.00 63.31 C ATOM 591 CD2 LEU A 50 0.183 -22.296 9.072 1.00 14.23 C ATOM 0 H LEU A 50 3.780 -25.547 9.845 1.00 35.23 H new ATOM 0 HA LEU A 50 2.754 -23.901 12.016 1.00 12.52 H new ATOM 0 HB2 LEU A 50 2.839 -23.285 9.527 1.00 33.22 H new ATOM 0 HB3 LEU A 50 1.560 -24.458 9.285 1.00 33.22 H new ATOM 0 HG LEU A 50 0.232 -23.110 11.027 1.00 12.40 H new ATOM 0 HD11 LEU A 50 0.861 -20.732 11.164 1.00 63.31 H new ATOM 0 HD12 LEU A 50 2.105 -21.789 11.874 1.00 63.31 H new ATOM 0 HD13 LEU A 50 2.353 -21.082 10.260 1.00 63.31 H new ATOM 0 HD21 LEU A 50 -0.551 -21.531 9.325 1.00 14.23 H new ATOM 0 HD22 LEU A 50 0.877 -21.902 8.329 1.00 14.23 H new ATOM 0 HD23 LEU A 50 -0.328 -23.168 8.664 1.00 14.23 H new ATOM 603 N ASP A 51 1.106 -25.550 12.883 1.00 71.33 N ATOM 604 CA ASP A 51 0.026 -26.348 13.389 1.00 61.14 C ATOM 605 C ASP A 51 -1.266 -25.827 12.810 1.00 23.25 C ATOM 606 O ASP A 51 -1.329 -24.683 12.312 1.00 71.30 O ATOM 607 CB ASP A 51 0.006 -26.339 14.943 1.00 43.42 C ATOM 608 CG ASP A 51 0.131 -24.946 15.542 1.00 72.24 C ATOM 609 OD1 ASP A 51 1.252 -24.396 15.520 1.00 43.21 O ATOM 610 OD2 ASP A 51 -0.872 -24.376 16.041 1.00 71.52 O ATOM 0 H ASP A 51 1.571 -24.979 13.589 1.00 71.33 H new ATOM 0 HA ASP A 51 0.160 -27.387 13.087 1.00 61.14 H new ATOM 0 HB2 ASP A 51 -0.922 -26.793 15.289 1.00 43.42 H new ATOM 0 HB3 ASP A 51 0.822 -26.960 15.313 1.00 43.42 H new ATOM 667 N ILE A 53 -3.776 -25.175 14.351 1.00 22.41 N ATOM 668 CA ILE A 53 -4.287 -24.292 15.299 1.00 75.52 C ATOM 669 C ILE A 53 -3.792 -22.911 14.900 1.00 21.10 C ATOM 670 O ILE A 53 -4.555 -21.961 14.872 1.00 3.02 O ATOM 671 CB ILE A 53 -3.853 -24.672 16.724 1.00 23.24 C ATOM 672 CG1 ILE A 53 -4.190 -26.151 17.000 1.00 63.23 C ATOM 673 CG2 ILE A 53 -4.563 -23.784 17.746 1.00 32.25 C ATOM 674 CD1 ILE A 53 -5.665 -26.518 16.846 1.00 43.34 C ATOM 0 HA ILE A 53 -5.376 -24.322 15.317 1.00 75.52 H new ATOM 0 HB ILE A 53 -2.777 -24.526 16.813 1.00 23.24 H new ATOM 0 HG12 ILE A 53 -3.604 -26.774 16.324 1.00 63.23 H new ATOM 0 HG13 ILE A 53 -3.874 -26.397 18.014 1.00 63.23 H new ATOM 0 HG21 ILE A 53 -4.248 -24.063 18.751 1.00 32.25 H new ATOM 0 HG22 ILE A 53 -4.307 -22.741 17.561 1.00 32.25 H new ATOM 0 HG23 ILE A 53 -5.641 -23.915 17.655 1.00 32.25 H new ATOM 0 HD11 ILE A 53 -5.801 -27.578 17.061 1.00 43.34 H new ATOM 0 HD12 ILE A 53 -6.261 -25.928 17.542 1.00 43.34 H new ATOM 0 HD13 ILE A 53 -5.987 -26.311 15.826 1.00 43.34 H new ATOM 686 N ARG A 54 -2.497 -22.825 14.525 1.00 72.23 N ATOM 687 CA ARG A 54 -1.918 -21.621 13.970 1.00 1.42 C ATOM 688 C ARG A 54 -2.572 -21.228 12.685 1.00 54.33 C ATOM 689 O ARG A 54 -2.853 -20.066 12.487 1.00 44.32 O ATOM 690 CB ARG A 54 -0.457 -21.760 13.745 1.00 54.22 C ATOM 691 CG ARG A 54 0.384 -21.441 14.936 1.00 21.30 C ATOM 692 CD ARG A 54 1.786 -21.508 14.508 1.00 31.14 C ATOM 693 NE ARG A 54 2.780 -21.141 15.522 1.00 32.14 N ATOM 694 CZ ARG A 54 3.777 -21.944 15.904 1.00 60.43 C ATOM 695 NH1 ARG A 54 3.625 -23.270 15.862 1.00 15.41 N ATOM 696 NH2 ARG A 54 4.869 -21.411 16.432 1.00 32.41 N ATOM 0 H ARG A 54 -1.838 -23.599 14.606 1.00 72.23 H new ATOM 0 HA ARG A 54 -2.090 -20.840 14.710 1.00 1.42 H new ATOM 0 HB2 ARG A 54 -0.246 -22.782 13.430 1.00 54.22 H new ATOM 0 HB3 ARG A 54 -0.165 -21.106 12.923 1.00 54.22 H new ATOM 0 HG2 ARG A 54 0.146 -20.449 15.320 1.00 21.30 H new ATOM 0 HG3 ARG A 54 0.194 -22.149 15.742 1.00 21.30 H new ATOM 0 HD2 ARG A 54 1.996 -22.523 14.171 1.00 31.14 H new ATOM 0 HD3 ARG A 54 1.915 -20.853 13.646 1.00 31.14 H new ATOM 0 HE ARG A 54 2.706 -20.223 15.959 1.00 32.14 H new ATOM 0 HH11 ARG A 54 2.746 -23.673 15.538 1.00 15.41 H new ATOM 0 HH12 ARG A 54 4.388 -23.880 16.154 1.00 15.41 H new ATOM 0 HH21 ARG A 54 4.941 -20.400 16.542 1.00 32.41 H new ATOM 0 HH22 ARG A 54 5.638 -22.012 16.728 1.00 32.41 H new ATOM 710 N LEU A 55 -2.822 -22.210 11.824 1.00 3.22 N ATOM 711 CA LEU A 55 -3.511 -21.999 10.536 1.00 22.24 C ATOM 712 C LEU A 55 -4.834 -21.274 10.820 1.00 53.21 C ATOM 713 O LEU A 55 -5.124 -20.221 10.244 1.00 43.53 O ATOM 714 CB LEU A 55 -3.785 -23.392 9.894 1.00 62.34 C ATOM 715 CG LEU A 55 -4.236 -23.506 8.403 1.00 41.13 C ATOM 716 CD1 LEU A 55 -5.408 -22.636 8.034 1.00 54.23 C ATOM 717 CD2 LEU A 55 -3.103 -23.311 7.444 1.00 52.43 C ATOM 0 H LEU A 55 -2.555 -23.180 11.992 1.00 3.22 H new ATOM 0 HA LEU A 55 -2.907 -21.402 9.853 1.00 22.24 H new ATOM 0 HB2 LEU A 55 -2.873 -23.979 9.999 1.00 62.34 H new ATOM 0 HB3 LEU A 55 -4.549 -23.880 10.499 1.00 62.34 H new ATOM 0 HG LEU A 55 -4.587 -24.534 8.312 1.00 41.13 H new ATOM 0 HD11 LEU A 55 -5.651 -22.780 6.981 1.00 54.23 H new ATOM 0 HD12 LEU A 55 -6.269 -22.907 8.646 1.00 54.23 H new ATOM 0 HD13 LEU A 55 -5.154 -21.590 8.208 1.00 54.23 H new ATOM 0 HD21 LEU A 55 -3.472 -23.400 6.422 1.00 52.43 H new ATOM 0 HD22 LEU A 55 -2.670 -22.321 7.588 1.00 52.43 H new ATOM 0 HD23 LEU A 55 -2.341 -24.069 7.622 1.00 52.43 H new ATOM 729 N MET A 56 -5.609 -21.826 11.730 1.00 22.52 N ATOM 730 CA MET A 56 -6.877 -21.239 12.096 1.00 50.12 C ATOM 731 C MET A 56 -6.689 -19.875 12.759 1.00 53.14 C ATOM 732 O MET A 56 -7.486 -18.958 12.537 1.00 64.24 O ATOM 733 CB MET A 56 -7.638 -22.138 13.025 1.00 54.44 C ATOM 734 CG MET A 56 -8.993 -21.580 13.419 1.00 65.55 C ATOM 735 SD MET A 56 -9.545 -22.195 14.987 1.00 34.24 S ATOM 736 CE MET A 56 -8.168 -21.585 15.947 1.00 33.52 C ATOM 0 H MET A 56 -5.380 -22.685 12.231 1.00 22.52 H new ATOM 0 HA MET A 56 -7.445 -21.109 11.175 1.00 50.12 H new ATOM 0 HB2 MET A 56 -7.776 -23.109 12.549 1.00 54.44 H new ATOM 0 HB3 MET A 56 -7.046 -22.306 13.924 1.00 54.44 H new ATOM 0 HG2 MET A 56 -8.938 -20.492 13.457 1.00 65.55 H new ATOM 0 HG3 MET A 56 -9.725 -21.836 12.653 1.00 65.55 H new ATOM 0 HE1 MET A 56 -8.524 -21.252 16.922 1.00 33.52 H new ATOM 0 HE2 MET A 56 -7.436 -22.382 16.081 1.00 33.52 H new ATOM 0 HE3 MET A 56 -7.703 -20.749 15.425 1.00 33.52 H new ATOM 746 N ARG A 57 -5.656 -19.750 13.591 1.00 62.25 N ATOM 747 CA ARG A 57 -5.342 -18.479 14.222 1.00 33.01 C ATOM 748 C ARG A 57 -5.092 -17.404 13.153 1.00 42.41 C ATOM 749 O ARG A 57 -5.484 -16.251 13.299 1.00 25.12 O ATOM 750 CB ARG A 57 -4.116 -18.585 15.075 1.00 4.12 C ATOM 751 CG ARG A 57 -4.281 -19.402 16.335 1.00 41.34 C ATOM 752 CD ARG A 57 -2.983 -19.405 17.061 1.00 22.42 C ATOM 753 NE ARG A 57 -2.962 -20.257 18.282 1.00 71.22 N ATOM 754 CZ ARG A 57 -2.239 -21.415 18.425 1.00 73.23 C ATOM 755 NH1 ARG A 57 -1.666 -21.989 17.363 1.00 51.24 N ATOM 756 NH2 ARG A 57 -2.154 -22.011 19.619 1.00 70.22 N ATOM 0 H ARG A 57 -5.027 -20.513 13.840 1.00 62.25 H new ATOM 0 HA ARG A 57 -6.193 -18.206 14.845 1.00 33.01 H new ATOM 0 HB2 ARG A 57 -3.315 -19.022 14.479 1.00 4.12 H new ATOM 0 HB3 ARG A 57 -3.796 -17.580 15.351 1.00 4.12 H new ATOM 0 HG2 ARG A 57 -5.066 -18.979 16.962 1.00 41.34 H new ATOM 0 HG3 ARG A 57 -4.582 -20.421 16.091 1.00 41.34 H new ATOM 0 HD2 ARG A 57 -2.202 -19.746 16.382 1.00 22.42 H new ATOM 0 HD3 ARG A 57 -2.736 -18.381 17.343 1.00 22.42 H new ATOM 0 HE ARG A 57 -3.530 -19.956 19.074 1.00 71.22 H new ATOM 0 HH11 ARG A 57 -1.765 -21.567 16.440 1.00 51.24 H new ATOM 0 HH12 ARG A 57 -1.130 -22.849 17.476 1.00 51.24 H new ATOM 0 HH21 ARG A 57 -2.627 -21.605 20.426 1.00 70.22 H new ATOM 0 HH22 ARG A 57 -1.616 -22.871 19.722 1.00 70.22 H new ATOM 770 N TRP A 58 -4.442 -17.824 12.068 1.00 2.22 N ATOM 771 CA TRP A 58 -4.158 -16.966 10.930 1.00 24.24 C ATOM 772 C TRP A 58 -5.417 -16.570 10.193 1.00 72.10 C ATOM 773 O TRP A 58 -5.536 -15.437 9.744 1.00 75.34 O ATOM 774 CB TRP A 58 -3.150 -17.611 9.970 1.00 31.43 C ATOM 775 CG TRP A 58 -1.738 -17.575 10.459 1.00 35.23 C ATOM 776 CD1 TRP A 58 -0.897 -18.632 10.607 1.00 74.22 C ATOM 777 CD2 TRP A 58 -1.000 -16.410 10.869 1.00 63.04 C ATOM 778 NE1 TRP A 58 0.319 -18.199 11.080 1.00 11.13 N ATOM 779 CE2 TRP A 58 0.281 -16.837 11.242 1.00 34.32 C ATOM 780 CE3 TRP A 58 -1.302 -15.042 10.948 1.00 50.11 C ATOM 781 CZ2 TRP A 58 1.264 -15.951 11.687 1.00 42.15 C ATOM 782 CZ3 TRP A 58 -0.331 -14.170 11.389 1.00 45.02 C ATOM 783 CH2 TRP A 58 0.936 -14.626 11.752 1.00 2.12 C ATOM 0 H TRP A 58 -4.097 -18.778 11.958 1.00 2.22 H new ATOM 0 HA TRP A 58 -3.708 -16.058 11.330 1.00 24.24 H new ATOM 0 HB2 TRP A 58 -3.438 -18.648 9.799 1.00 31.43 H new ATOM 0 HB3 TRP A 58 -3.204 -17.103 9.007 1.00 31.43 H new ATOM 0 HD1 TRP A 58 -1.147 -19.659 10.386 1.00 74.22 H new ATOM 0 HE1 TRP A 58 1.122 -18.796 11.279 1.00 11.13 H new ATOM 0 HE3 TRP A 58 -2.280 -14.679 10.668 1.00 50.11 H new ATOM 0 HZ2 TRP A 58 2.246 -16.300 11.969 1.00 42.15 H new ATOM 0 HZ3 TRP A 58 -0.555 -13.115 11.455 1.00 45.02 H new ATOM 0 HH2 TRP A 58 1.675 -13.916 12.092 1.00 2.12 H new ATOM 794 N LEU A 59 -6.369 -17.491 10.090 1.00 73.21 N ATOM 795 CA LEU A 59 -7.645 -17.192 9.444 1.00 33.34 C ATOM 796 C LEU A 59 -8.339 -16.095 10.238 1.00 75.24 C ATOM 797 O LEU A 59 -8.937 -15.174 9.675 1.00 42.42 O ATOM 798 CB LEU A 59 -8.517 -18.466 9.328 1.00 55.01 C ATOM 799 CG LEU A 59 -9.691 -18.451 8.310 1.00 11.43 C ATOM 800 CD1 LEU A 59 -10.827 -17.579 8.740 1.00 61.41 C ATOM 801 CD2 LEU A 59 -9.214 -18.018 6.944 1.00 41.42 C ATOM 0 H LEU A 59 -6.284 -18.445 10.442 1.00 73.21 H new ATOM 0 HA LEU A 59 -7.478 -16.841 8.426 1.00 33.34 H new ATOM 0 HB2 LEU A 59 -7.862 -19.298 9.071 1.00 55.01 H new ATOM 0 HB3 LEU A 59 -8.931 -18.679 10.313 1.00 55.01 H new ATOM 0 HG LEU A 59 -10.062 -19.475 8.265 1.00 11.43 H new ATOM 0 HD11 LEU A 59 -11.615 -17.611 7.988 1.00 61.41 H new ATOM 0 HD12 LEU A 59 -11.220 -17.936 9.692 1.00 61.41 H new ATOM 0 HD13 LEU A 59 -10.476 -16.554 8.854 1.00 61.41 H new ATOM 0 HD21 LEU A 59 -10.054 -18.016 6.249 1.00 41.42 H new ATOM 0 HD22 LEU A 59 -8.792 -17.015 7.007 1.00 41.42 H new ATOM 0 HD23 LEU A 59 -8.451 -18.711 6.589 1.00 41.42 H new ATOM 813 N HIS A 60 -8.205 -16.181 11.541 1.00 71.32 N ATOM 814 CA HIS A 60 -8.712 -15.170 12.444 1.00 34.22 C ATOM 815 C HIS A 60 -8.042 -13.845 12.173 1.00 25.41 C ATOM 816 O HIS A 60 -8.707 -12.813 12.100 1.00 12.42 O ATOM 817 CB HIS A 60 -8.481 -15.570 13.891 1.00 45.13 C ATOM 818 CG HIS A 60 -9.449 -16.553 14.412 1.00 43.31 C ATOM 819 ND1 HIS A 60 -9.361 -17.917 14.259 1.00 64.52 N ATOM 820 CD2 HIS A 60 -10.546 -16.326 15.111 1.00 42.22 C ATOM 821 CE1 HIS A 60 -10.415 -18.461 14.876 1.00 54.43 C ATOM 822 NE2 HIS A 60 -11.172 -17.532 15.412 1.00 52.24 N ATOM 0 H HIS A 60 -7.739 -16.958 12.009 1.00 71.32 H new ATOM 0 HA HIS A 60 -9.785 -15.075 12.275 1.00 34.22 H new ATOM 0 HB2 HIS A 60 -7.476 -15.982 13.986 1.00 45.13 H new ATOM 0 HB3 HIS A 60 -8.519 -14.676 14.513 1.00 45.13 H new ATOM 0 HD1 HIS A 60 -8.625 -18.422 13.765 1.00 64.52 H new ATOM 0 HD2 HIS A 60 -10.904 -15.350 15.405 1.00 42.22 H new ATOM 0 HE1 HIS A 60 -10.616 -19.521 14.927 1.00 54.43 H new ATOM 830 N TRP A 61 -6.723 -13.883 12.010 1.00 61.24 N ATOM 831 CA TRP A 61 -5.942 -12.708 11.696 1.00 72.43 C ATOM 832 C TRP A 61 -6.478 -12.073 10.411 1.00 30.22 C ATOM 833 O TRP A 61 -6.696 -10.869 10.376 1.00 32.11 O ATOM 834 CB TRP A 61 -4.440 -13.069 11.580 1.00 62.15 C ATOM 835 CG TRP A 61 -3.494 -11.908 11.326 1.00 34.23 C ATOM 836 CD1 TRP A 61 -2.911 -11.088 12.259 1.00 63.04 C ATOM 837 CD2 TRP A 61 -2.994 -11.474 10.055 1.00 31.11 C ATOM 838 NE1 TRP A 61 -2.096 -10.164 11.633 1.00 55.14 N ATOM 839 CE2 TRP A 61 -2.131 -10.388 10.283 1.00 13.20 C ATOM 840 CE3 TRP A 61 -3.194 -11.894 8.748 1.00 11.11 C ATOM 841 CZ2 TRP A 61 -1.475 -9.727 9.247 1.00 63.03 C ATOM 842 CZ3 TRP A 61 -2.541 -11.234 7.728 1.00 62.00 C ATOM 843 CH2 TRP A 61 -1.695 -10.168 7.985 1.00 11.31 C ATOM 0 H TRP A 61 -6.171 -14.737 12.094 1.00 61.24 H new ATOM 0 HA TRP A 61 -6.033 -11.979 12.501 1.00 72.43 H new ATOM 0 HB2 TRP A 61 -4.134 -13.566 12.500 1.00 62.15 H new ATOM 0 HB3 TRP A 61 -4.322 -13.792 10.773 1.00 62.15 H new ATOM 0 HD1 TRP A 61 -3.066 -11.155 13.326 1.00 63.04 H new ATOM 0 HE1 TRP A 61 -1.557 -9.435 12.100 1.00 55.14 H new ATOM 0 HE3 TRP A 61 -3.850 -12.724 8.533 1.00 11.11 H new ATOM 0 HZ2 TRP A 61 -0.816 -8.894 9.442 1.00 63.03 H new ATOM 0 HZ3 TRP A 61 -2.693 -11.555 6.708 1.00 62.00 H new ATOM 0 HH2 TRP A 61 -1.199 -9.677 7.161 1.00 11.31 H new ATOM 854 N PHE A 62 -6.752 -12.910 9.408 1.00 45.21 N ATOM 855 CA PHE A 62 -7.314 -12.471 8.127 1.00 74.33 C ATOM 856 C PHE A 62 -8.694 -11.826 8.289 1.00 50.14 C ATOM 857 O PHE A 62 -8.920 -10.728 7.799 1.00 62.34 O ATOM 858 CB PHE A 62 -7.401 -13.630 7.111 1.00 41.42 C ATOM 859 CG PHE A 62 -6.079 -14.191 6.677 1.00 23.24 C ATOM 860 CD1 PHE A 62 -5.043 -13.357 6.339 1.00 64.51 C ATOM 861 CD2 PHE A 62 -5.872 -15.554 6.620 1.00 61.33 C ATOM 862 CE1 PHE A 62 -3.818 -13.880 5.949 1.00 53.20 C ATOM 863 CE2 PHE A 62 -4.657 -16.074 6.236 1.00 34.22 C ATOM 864 CZ PHE A 62 -3.632 -15.237 5.900 1.00 75.11 C ATOM 0 H PHE A 62 -6.590 -13.916 9.461 1.00 45.21 H new ATOM 0 HA PHE A 62 -6.627 -11.718 7.742 1.00 74.33 H new ATOM 0 HB2 PHE A 62 -7.994 -14.433 7.548 1.00 41.42 H new ATOM 0 HB3 PHE A 62 -7.938 -13.281 6.229 1.00 41.42 H new ATOM 0 HD1 PHE A 62 -5.182 -12.287 6.377 1.00 64.51 H new ATOM 0 HD2 PHE A 62 -6.677 -16.224 6.881 1.00 61.33 H new ATOM 0 HE1 PHE A 62 -3.009 -13.216 5.683 1.00 53.20 H new ATOM 0 HE2 PHE A 62 -4.514 -17.144 6.200 1.00 34.22 H new ATOM 0 HZ PHE A 62 -2.678 -15.643 5.597 1.00 75.11 H new ATOM 874 N ARG A 63 -9.611 -12.499 8.996 1.00 61.04 N ATOM 875 CA ARG A 63 -10.994 -11.977 9.192 1.00 53.32 C ATOM 876 C ARG A 63 -10.955 -10.628 9.872 1.00 5.51 C ATOM 877 O ARG A 63 -11.690 -9.716 9.533 1.00 73.55 O ATOM 878 CB ARG A 63 -11.837 -12.912 10.073 1.00 52.11 C ATOM 879 CG ARG A 63 -11.973 -14.330 9.574 1.00 51.01 C ATOM 880 CD ARG A 63 -12.576 -14.401 8.184 1.00 73.15 C ATOM 881 NE ARG A 63 -13.927 -13.801 8.111 1.00 51.10 N ATOM 882 CZ ARG A 63 -14.860 -14.093 7.183 1.00 53.24 C ATOM 883 NH1 ARG A 63 -14.623 -15.022 6.258 1.00 73.10 N ATOM 884 NH2 ARG A 63 -16.036 -13.453 7.196 1.00 64.55 N ATOM 0 H ARG A 63 -9.435 -13.399 9.443 1.00 61.04 H new ATOM 0 HA ARG A 63 -11.443 -11.904 8.202 1.00 53.32 H new ATOM 0 HB2 ARG A 63 -11.397 -12.937 11.070 1.00 52.11 H new ATOM 0 HB3 ARG A 63 -12.834 -12.484 10.175 1.00 52.11 H new ATOM 0 HG2 ARG A 63 -10.992 -14.805 9.566 1.00 51.01 H new ATOM 0 HG3 ARG A 63 -12.595 -14.897 10.266 1.00 51.01 H new ATOM 0 HD2 ARG A 63 -11.918 -13.889 7.482 1.00 73.15 H new ATOM 0 HD3 ARG A 63 -12.629 -15.443 7.869 1.00 73.15 H new ATOM 0 HE ARG A 63 -14.172 -13.110 8.821 1.00 51.10 H new ATOM 0 HH11 ARG A 63 -13.731 -15.517 6.249 1.00 73.10 H new ATOM 0 HH12 ARG A 63 -15.333 -15.238 5.559 1.00 73.10 H new ATOM 0 HH21 ARG A 63 -16.224 -12.746 7.907 1.00 64.55 H new ATOM 0 HH22 ARG A 63 -16.744 -13.672 6.495 1.00 64.55 H new ATOM 898 N LYS A 64 -10.052 -10.531 10.800 1.00 72.24 N ATOM 899 CA LYS A 64 -9.843 -9.370 11.636 1.00 62.12 C ATOM 900 C LYS A 64 -9.187 -8.228 10.829 1.00 40.33 C ATOM 901 O LYS A 64 -9.087 -7.105 11.296 1.00 54.43 O ATOM 902 CB LYS A 64 -8.919 -9.835 12.730 1.00 73.42 C ATOM 903 CG LYS A 64 -8.669 -8.913 13.888 1.00 4.13 C ATOM 904 CD LYS A 64 -7.541 -9.489 14.731 1.00 64.50 C ATOM 905 CE LYS A 64 -6.133 -9.086 14.193 1.00 72.12 C ATOM 906 NZ LYS A 64 -5.920 -9.333 12.721 1.00 35.43 N ATOM 0 H LYS A 64 -9.406 -11.291 11.011 1.00 72.24 H new ATOM 0 HA LYS A 64 -10.782 -8.979 12.029 1.00 62.12 H new ATOM 0 HB2 LYS A 64 -9.317 -10.768 13.128 1.00 73.42 H new ATOM 0 HB3 LYS A 64 -7.956 -10.067 12.276 1.00 73.42 H new ATOM 0 HG2 LYS A 64 -8.404 -7.918 13.529 1.00 4.13 H new ATOM 0 HG3 LYS A 64 -9.573 -8.805 14.488 1.00 4.13 H new ATOM 0 HD2 LYS A 64 -7.647 -9.144 15.760 1.00 64.50 H new ATOM 0 HD3 LYS A 64 -7.623 -10.576 14.749 1.00 64.50 H new ATOM 0 HE2 LYS A 64 -5.972 -8.027 14.396 1.00 72.12 H new ATOM 0 HE3 LYS A 64 -5.376 -9.636 14.752 1.00 72.12 H new ATOM 0 HZ1 LYS A 64 -4.933 -9.616 12.556 1.00 35.43 H new ATOM 0 HZ2 LYS A 64 -6.556 -10.091 12.401 1.00 35.43 H new ATOM 0 HZ3 LYS A 64 -6.124 -8.462 12.190 1.00 35.43 H new ATOM 920 N ASN A 65 -8.706 -8.556 9.649 1.00 14.32 N ATOM 921 CA ASN A 65 -8.099 -7.586 8.740 1.00 13.30 C ATOM 922 C ASN A 65 -9.065 -7.268 7.607 1.00 74.13 C ATOM 923 O ASN A 65 -8.761 -6.491 6.711 1.00 62.44 O ATOM 924 CB ASN A 65 -6.763 -8.118 8.167 1.00 45.01 C ATOM 925 CG ASN A 65 -5.580 -8.031 9.130 1.00 22.10 C ATOM 926 OD1 ASN A 65 -5.734 -8.040 10.372 1.00 53.42 O ATOM 927 ND2 ASN A 65 -4.392 -8.004 8.587 1.00 32.25 N ATOM 0 H ASN A 65 -8.722 -9.508 9.284 1.00 14.32 H new ATOM 0 HA ASN A 65 -7.886 -6.676 9.301 1.00 13.30 H new ATOM 0 HB2 ASN A 65 -6.898 -9.158 7.871 1.00 45.01 H new ATOM 0 HB3 ASN A 65 -6.521 -7.558 7.263 1.00 45.01 H new ATOM 0 HD21 ASN A 65 -3.561 -7.990 9.178 1.00 32.25 H new ATOM 0 HD22 ASN A 65 -4.295 -7.997 7.572 1.00 32.25 H new ATOM 934 N GLY A 66 -10.240 -7.882 7.658 1.00 24.44 N ATOM 935 CA GLY A 66 -11.251 -7.638 6.654 1.00 61.44 C ATOM 936 C GLY A 66 -11.247 -8.666 5.538 1.00 12.32 C ATOM 937 O GLY A 66 -11.993 -8.537 4.555 1.00 14.43 O ATOM 0 H GLY A 66 -10.510 -8.548 8.382 1.00 24.44 H new ATOM 0 HA2 GLY A 66 -12.232 -7.632 7.130 1.00 61.44 H new ATOM 0 HA3 GLY A 66 -11.098 -6.647 6.227 1.00 61.44 H new ATOM 941 N TYR A 67 -10.432 -9.691 5.669 1.00 74.24 N ATOM 942 CA TYR A 67 -10.353 -10.705 4.652 1.00 12.41 C ATOM 943 C TYR A 67 -11.489 -11.672 4.708 1.00 73.11 C ATOM 944 O TYR A 67 -11.744 -12.338 5.719 1.00 13.13 O ATOM 945 CB TYR A 67 -8.998 -11.393 4.609 1.00 20.15 C ATOM 946 CG TYR A 67 -7.958 -10.476 4.072 1.00 4.23 C ATOM 947 CD1 TYR A 67 -7.724 -10.400 2.713 1.00 10.34 C ATOM 948 CD2 TYR A 67 -7.257 -9.639 4.909 1.00 41.31 C ATOM 949 CE1 TYR A 67 -6.826 -9.503 2.203 1.00 52.30 C ATOM 950 CE2 TYR A 67 -6.348 -8.749 4.411 1.00 32.04 C ATOM 951 CZ TYR A 67 -6.142 -8.679 3.060 1.00 75.11 C ATOM 952 OH TYR A 67 -5.271 -7.772 2.562 1.00 53.11 O ATOM 0 H TYR A 67 -9.818 -9.840 6.470 1.00 74.24 H new ATOM 0 HA TYR A 67 -10.453 -10.181 3.702 1.00 12.41 H new ATOM 0 HB2 TYR A 67 -8.719 -11.720 5.611 1.00 20.15 H new ATOM 0 HB3 TYR A 67 -9.058 -12.286 3.987 1.00 20.15 H new ATOM 0 HD1 TYR A 67 -8.258 -11.058 2.043 1.00 10.34 H new ATOM 0 HD2 TYR A 67 -7.428 -9.686 5.974 1.00 41.31 H new ATOM 0 HE1 TYR A 67 -6.658 -9.444 1.138 1.00 52.30 H new ATOM 0 HE2 TYR A 67 -5.796 -8.105 5.079 1.00 32.04 H new ATOM 0 HH TYR A 67 -4.388 -7.912 2.964 1.00 53.11 H new ATOM 962 N ARG A 68 -12.163 -11.756 3.596 1.00 21.24 N ATOM 963 CA ARG A 68 -13.336 -12.579 3.427 1.00 1.32 C ATOM 964 C ARG A 68 -12.875 -13.998 3.071 1.00 35.04 C ATOM 965 O ARG A 68 -13.288 -14.562 2.076 1.00 32.33 O ATOM 966 CB ARG A 68 -14.131 -11.970 2.251 1.00 0.52 C ATOM 967 CG ARG A 68 -14.320 -10.466 2.376 1.00 33.14 C ATOM 968 CD ARG A 68 -14.739 -9.814 1.061 1.00 34.14 C ATOM 969 NE ARG A 68 -14.686 -8.341 1.168 1.00 25.05 N ATOM 970 CZ ARG A 68 -13.983 -7.520 0.347 1.00 71.44 C ATOM 971 NH1 ARG A 68 -13.417 -7.988 -0.762 1.00 72.34 N ATOM 972 NH2 ARG A 68 -13.890 -6.218 0.627 1.00 61.14 N ATOM 0 H ARG A 68 -11.907 -11.240 2.754 1.00 21.24 H new ATOM 0 HA ARG A 68 -13.951 -12.620 4.326 1.00 1.32 H new ATOM 0 HB2 ARG A 68 -13.613 -12.189 1.317 1.00 0.52 H new ATOM 0 HB3 ARG A 68 -15.108 -12.450 2.193 1.00 0.52 H new ATOM 0 HG2 ARG A 68 -15.075 -10.261 3.135 1.00 33.14 H new ATOM 0 HG3 ARG A 68 -13.390 -10.014 2.721 1.00 33.14 H new ATOM 0 HD2 ARG A 68 -14.083 -10.149 0.258 1.00 34.14 H new ATOM 0 HD3 ARG A 68 -15.749 -10.128 0.799 1.00 34.14 H new ATOM 0 HE ARG A 68 -15.221 -7.906 1.920 1.00 25.05 H new ATOM 0 HH11 ARG A 68 -13.509 -8.975 -1.004 1.00 72.34 H new ATOM 0 HH12 ARG A 68 -12.891 -7.360 -1.370 1.00 72.34 H new ATOM 0 HH21 ARG A 68 -14.347 -5.841 1.457 1.00 61.14 H new ATOM 0 HH22 ARG A 68 -13.362 -5.600 0.011 1.00 61.14 H new ATOM 986 N LEU A 69 -12.057 -14.560 3.921 1.00 2.43 N ATOM 987 CA LEU A 69 -11.482 -15.877 3.717 1.00 30.50 C ATOM 988 C LEU A 69 -12.122 -16.868 4.633 1.00 3.52 C ATOM 989 O LEU A 69 -12.440 -16.540 5.790 1.00 52.22 O ATOM 990 CB LEU A 69 -9.969 -15.842 3.987 1.00 75.31 C ATOM 991 CG LEU A 69 -9.103 -15.153 2.935 1.00 42.35 C ATOM 992 CD1 LEU A 69 -7.695 -14.949 3.453 1.00 52.33 C ATOM 993 CD2 LEU A 69 -9.053 -16.004 1.690 1.00 63.21 C ATOM 0 H LEU A 69 -11.763 -14.114 4.790 1.00 2.43 H new ATOM 0 HA LEU A 69 -11.659 -16.174 2.683 1.00 30.50 H new ATOM 0 HB2 LEU A 69 -9.805 -15.344 4.943 1.00 75.31 H new ATOM 0 HB3 LEU A 69 -9.619 -16.868 4.098 1.00 75.31 H new ATOM 0 HG LEU A 69 -9.540 -14.181 2.708 1.00 42.35 H new ATOM 0 HD11 LEU A 69 -7.094 -14.457 2.689 1.00 52.33 H new ATOM 0 HD12 LEU A 69 -7.723 -14.328 4.348 1.00 52.33 H new ATOM 0 HD13 LEU A 69 -7.253 -15.915 3.696 1.00 52.33 H new ATOM 0 HD21 LEU A 69 -8.435 -15.513 0.938 1.00 63.21 H new ATOM 0 HD22 LEU A 69 -8.626 -16.977 1.932 1.00 63.21 H new ATOM 0 HD23 LEU A 69 -10.062 -16.137 1.300 1.00 63.21 H new ATOM 1005 N THR A 70 -12.371 -18.033 4.142 1.00 51.24 N ATOM 1006 CA THR A 70 -12.867 -19.071 4.964 1.00 21.05 C ATOM 1007 C THR A 70 -11.714 -19.998 5.311 1.00 44.35 C ATOM 1008 O THR A 70 -10.765 -20.149 4.535 1.00 33.44 O ATOM 1009 CB THR A 70 -14.020 -19.857 4.295 1.00 43.23 C ATOM 1010 OG1 THR A 70 -13.568 -20.473 3.104 1.00 3.35 O ATOM 1011 CG2 THR A 70 -15.198 -18.943 3.981 1.00 70.50 C ATOM 0 H THR A 70 -12.236 -18.288 3.164 1.00 51.24 H new ATOM 0 HA THR A 70 -13.287 -18.629 5.868 1.00 21.05 H new ATOM 0 HB THR A 70 -14.352 -20.623 4.996 1.00 43.23 H new ATOM 0 HG1 THR A 70 -13.269 -19.785 2.473 1.00 3.35 H new ATOM 0 HG21 THR A 70 -15.993 -19.522 3.512 1.00 70.50 H new ATOM 0 HG22 THR A 70 -15.570 -18.498 4.904 1.00 70.50 H new ATOM 0 HG23 THR A 70 -14.875 -18.154 3.302 1.00 70.50 H new ATOM 1019 N LEU A 71 -11.789 -20.607 6.467 1.00 63.35 N ATOM 1020 CA LEU A 71 -10.731 -21.477 6.975 1.00 5.24 C ATOM 1021 C LEU A 71 -10.502 -22.686 6.073 1.00 30.11 C ATOM 1022 O LEU A 71 -9.408 -23.230 6.011 1.00 51.12 O ATOM 1023 CB LEU A 71 -11.107 -21.932 8.382 1.00 23.21 C ATOM 1024 CG LEU A 71 -10.094 -22.787 9.125 1.00 45.52 C ATOM 1025 CD1 LEU A 71 -8.819 -22.023 9.402 1.00 30.23 C ATOM 1026 CD2 LEU A 71 -10.672 -23.284 10.409 1.00 3.02 C ATOM 0 H LEU A 71 -12.588 -20.520 7.095 1.00 63.35 H new ATOM 0 HA LEU A 71 -9.798 -20.914 6.994 1.00 5.24 H new ATOM 0 HB2 LEU A 71 -11.307 -21.045 8.983 1.00 23.21 H new ATOM 0 HB3 LEU A 71 -12.041 -22.491 8.319 1.00 23.21 H new ATOM 0 HG LEU A 71 -9.851 -23.636 8.485 1.00 45.52 H new ATOM 0 HD11 LEU A 71 -8.118 -22.666 9.934 1.00 30.23 H new ATOM 0 HD12 LEU A 71 -8.374 -21.703 8.460 1.00 30.23 H new ATOM 0 HD13 LEU A 71 -9.044 -21.148 10.012 1.00 30.23 H new ATOM 0 HD21 LEU A 71 -9.933 -23.895 10.928 1.00 3.02 H new ATOM 0 HD22 LEU A 71 -10.948 -22.436 11.036 1.00 3.02 H new ATOM 0 HD23 LEU A 71 -11.558 -23.885 10.201 1.00 3.02 H new ATOM 1038 N ARG A 72 -11.516 -23.059 5.335 1.00 22.15 N ATOM 1039 CA ARG A 72 -11.445 -24.257 4.540 1.00 3.12 C ATOM 1040 C ARG A 72 -10.619 -24.016 3.274 1.00 45.10 C ATOM 1041 O ARG A 72 -9.970 -24.925 2.780 1.00 55.52 O ATOM 1042 CB ARG A 72 -12.847 -24.769 4.213 1.00 64.54 C ATOM 1043 CG ARG A 72 -13.764 -24.849 5.417 1.00 51.41 C ATOM 1044 CD ARG A 72 -13.192 -25.732 6.481 1.00 22.13 C ATOM 1045 NE ARG A 72 -13.960 -25.652 7.745 1.00 64.14 N ATOM 1046 CZ ARG A 72 -13.429 -25.759 8.988 1.00 55.50 C ATOM 1047 NH1 ARG A 72 -12.153 -26.089 9.151 1.00 24.30 N ATOM 1048 NH2 ARG A 72 -14.183 -25.552 10.067 1.00 4.43 N ATOM 0 H ARG A 72 -12.398 -22.552 5.268 1.00 22.15 H new ATOM 0 HA ARG A 72 -10.940 -25.031 5.118 1.00 3.12 H new ATOM 0 HB2 ARG A 72 -13.298 -24.115 3.467 1.00 64.54 H new ATOM 0 HB3 ARG A 72 -12.767 -25.758 3.762 1.00 64.54 H new ATOM 0 HG2 ARG A 72 -13.926 -23.849 5.820 1.00 51.41 H new ATOM 0 HG3 ARG A 72 -14.738 -25.231 5.110 1.00 51.41 H new ATOM 0 HD2 ARG A 72 -13.182 -26.763 6.128 1.00 22.13 H new ATOM 0 HD3 ARG A 72 -12.156 -25.449 6.668 1.00 22.13 H new ATOM 0 HE ARG A 72 -14.967 -25.505 7.675 1.00 64.14 H new ATOM 0 HH11 ARG A 72 -11.564 -26.264 8.337 1.00 24.30 H new ATOM 0 HH12 ARG A 72 -11.762 -26.167 10.090 1.00 24.30 H new ATOM 0 HH21 ARG A 72 -15.168 -25.311 9.962 1.00 4.43 H new ATOM 0 HH22 ARG A 72 -13.775 -25.635 10.998 1.00 4.43 H new ATOM 1062 N GLU A 73 -10.612 -22.764 2.802 1.00 55.01 N ATOM 1063 CA GLU A 73 -9.837 -22.376 1.619 1.00 12.23 C ATOM 1064 C GLU A 73 -8.348 -22.478 1.906 1.00 43.21 C ATOM 1065 O GLU A 73 -7.576 -22.968 1.081 1.00 33.21 O ATOM 1066 CB GLU A 73 -10.168 -20.938 1.202 1.00 44.13 C ATOM 1067 CG GLU A 73 -11.591 -20.730 0.723 1.00 71.32 C ATOM 1068 CD GLU A 73 -11.922 -19.267 0.519 1.00 34.11 C ATOM 1069 OE1 GLU A 73 -12.359 -18.604 1.503 1.00 32.24 O ATOM 1070 OE2 GLU A 73 -11.755 -18.746 -0.602 1.00 53.13 O ATOM 0 H GLU A 73 -11.138 -21.999 3.224 1.00 55.01 H new ATOM 0 HA GLU A 73 -10.101 -23.055 0.808 1.00 12.23 H new ATOM 0 HB2 GLU A 73 -9.984 -20.277 2.049 1.00 44.13 H new ATOM 0 HB3 GLU A 73 -9.484 -20.638 0.408 1.00 44.13 H new ATOM 0 HG2 GLU A 73 -11.739 -21.267 -0.214 1.00 71.32 H new ATOM 0 HG3 GLU A 73 -12.282 -21.159 1.449 1.00 71.32 H new ATOM 1077 N LEU A 74 -7.953 -22.051 3.103 1.00 4.14 N ATOM 1078 CA LEU A 74 -6.543 -22.037 3.458 1.00 14.20 C ATOM 1079 C LEU A 74 -6.000 -23.435 3.581 1.00 21.42 C ATOM 1080 O LEU A 74 -4.867 -23.686 3.227 1.00 31.21 O ATOM 1081 CB LEU A 74 -6.264 -21.326 4.765 1.00 4.11 C ATOM 1082 CG LEU A 74 -6.767 -19.910 4.958 1.00 73.51 C ATOM 1083 CD1 LEU A 74 -6.028 -19.291 6.106 1.00 33.54 C ATOM 1084 CD2 LEU A 74 -6.626 -19.051 3.724 1.00 43.35 C ATOM 0 H LEU A 74 -8.582 -21.715 3.832 1.00 4.14 H new ATOM 0 HA LEU A 74 -6.053 -21.496 2.649 1.00 14.20 H new ATOM 0 HB2 LEU A 74 -6.683 -21.935 5.566 1.00 4.11 H new ATOM 0 HB3 LEU A 74 -5.183 -21.313 4.907 1.00 4.11 H new ATOM 0 HG LEU A 74 -7.836 -19.965 5.166 1.00 73.51 H new ATOM 0 HD11 LEU A 74 -6.380 -18.270 6.257 1.00 33.54 H new ATOM 0 HD12 LEU A 74 -6.206 -19.874 7.010 1.00 33.54 H new ATOM 0 HD13 LEU A 74 -4.960 -19.278 5.887 1.00 33.54 H new ATOM 0 HD21 LEU A 74 -7.005 -18.050 3.932 1.00 43.35 H new ATOM 0 HD22 LEU A 74 -5.575 -18.989 3.442 1.00 43.35 H new ATOM 0 HD23 LEU A 74 -7.196 -19.492 2.906 1.00 43.35 H new ATOM 1096 N TYR A 75 -6.821 -24.333 4.092 1.00 21.35 N ATOM 1097 CA TYR A 75 -6.428 -25.720 4.286 1.00 4.23 C ATOM 1098 C TYR A 75 -6.280 -26.476 2.994 1.00 44.53 C ATOM 1099 O TYR A 75 -5.587 -27.486 2.943 1.00 4.54 O ATOM 1100 CB TYR A 75 -7.389 -26.456 5.212 1.00 22.14 C ATOM 1101 CG TYR A 75 -7.132 -26.264 6.620 1.00 1.12 C ATOM 1102 CD1 TYR A 75 -5.949 -26.682 7.162 1.00 34.41 C ATOM 1103 CD2 TYR A 75 -8.067 -25.677 7.420 1.00 23.35 C ATOM 1104 CE1 TYR A 75 -5.698 -26.514 8.484 1.00 10.22 C ATOM 1105 CE2 TYR A 75 -7.835 -25.500 8.737 1.00 2.25 C ATOM 1106 CZ TYR A 75 -6.651 -25.921 9.268 1.00 64.11 C ATOM 1107 OH TYR A 75 -6.405 -25.722 10.557 1.00 73.15 O ATOM 0 H TYR A 75 -7.776 -24.125 4.384 1.00 21.35 H new ATOM 0 HA TYR A 75 -5.446 -25.681 4.757 1.00 4.23 H new ATOM 0 HB2 TYR A 75 -8.406 -26.129 4.994 1.00 22.14 H new ATOM 0 HB3 TYR A 75 -7.343 -27.522 4.990 1.00 22.14 H new ATOM 0 HD1 TYR A 75 -5.207 -27.150 6.532 1.00 34.41 H new ATOM 0 HD2 TYR A 75 -9.004 -25.350 6.994 1.00 23.35 H new ATOM 0 HE1 TYR A 75 -4.762 -26.842 8.911 1.00 10.22 H new ATOM 0 HE2 TYR A 75 -8.578 -25.030 9.364 1.00 2.25 H new ATOM 0 HH TYR A 75 -7.179 -25.291 10.975 1.00 73.15 H new ATOM 1117 N ALA A 76 -6.917 -25.989 1.957 1.00 15.41 N ATOM 1118 CA ALA A 76 -6.865 -26.651 0.682 1.00 23.44 C ATOM 1119 C ALA A 76 -5.500 -26.447 0.026 1.00 0.33 C ATOM 1120 O ALA A 76 -5.014 -27.305 -0.708 1.00 71.23 O ATOM 1121 CB ALA A 76 -7.991 -26.169 -0.213 1.00 43.40 C ATOM 0 H ALA A 76 -7.477 -25.136 1.974 1.00 15.41 H new ATOM 0 HA ALA A 76 -7.000 -27.721 0.837 1.00 23.44 H new ATOM 0 HB1 ALA A 76 -7.936 -26.681 -1.174 1.00 43.40 H new ATOM 0 HB2 ALA A 76 -8.949 -26.385 0.259 1.00 43.40 H new ATOM 0 HB3 ALA A 76 -7.898 -25.094 -0.368 1.00 43.40 H new ATOM 1127 N ALA A 77 -4.889 -25.313 0.310 1.00 24.22 N ATOM 1128 CA ALA A 77 -3.573 -25.000 -0.194 1.00 4.15 C ATOM 1129 C ALA A 77 -2.874 -24.033 0.752 1.00 45.55 C ATOM 1130 O ALA A 77 -2.900 -22.815 0.540 1.00 53.53 O ATOM 1131 CB ALA A 77 -3.641 -24.420 -1.608 1.00 12.25 C ATOM 0 H ALA A 77 -5.295 -24.584 0.898 1.00 24.22 H new ATOM 0 HA ALA A 77 -2.997 -25.924 -0.247 1.00 4.15 H new ATOM 0 HB1 ALA A 77 -2.633 -24.195 -1.958 1.00 12.25 H new ATOM 0 HB2 ALA A 77 -4.104 -25.145 -2.277 1.00 12.25 H new ATOM 0 HB3 ALA A 77 -4.234 -23.506 -1.598 1.00 12.25 H new ATOM 1137 N PRO A 78 -2.281 -24.534 1.847 1.00 41.52 N ATOM 1138 CA PRO A 78 -1.629 -23.684 2.812 1.00 45.24 C ATOM 1139 C PRO A 78 -0.223 -23.341 2.378 1.00 35.14 C ATOM 1140 O PRO A 78 0.747 -24.022 2.735 1.00 0.43 O ATOM 1141 CB PRO A 78 -1.612 -24.523 4.103 1.00 25.21 C ATOM 1142 CG PRO A 78 -2.170 -25.872 3.729 1.00 12.11 C ATOM 1143 CD PRO A 78 -2.208 -25.940 2.230 1.00 5.30 C ATOM 0 HA PRO A 78 -2.143 -22.731 2.936 1.00 45.24 H new ATOM 0 HB2 PRO A 78 -0.599 -24.615 4.495 1.00 25.21 H new ATOM 0 HB3 PRO A 78 -2.214 -24.054 4.881 1.00 25.21 H new ATOM 0 HG2 PRO A 78 -1.548 -26.671 4.134 1.00 12.11 H new ATOM 0 HG3 PRO A 78 -3.169 -26.003 4.145 1.00 12.11 H new ATOM 0 HD2 PRO A 78 -1.320 -26.425 1.824 1.00 5.30 H new ATOM 0 HD3 PRO A 78 -3.070 -26.503 1.872 1.00 5.30 H new ATOM 1151 N THR A 79 -0.129 -22.296 1.605 1.00 4.44 N ATOM 1152 CA THR A 79 1.106 -21.819 1.048 1.00 61.43 C ATOM 1153 C THR A 79 0.971 -20.328 0.908 1.00 13.11 C ATOM 1154 O THR A 79 -0.145 -19.833 0.723 1.00 64.01 O ATOM 1155 CB THR A 79 1.346 -22.415 -0.376 1.00 30.30 C ATOM 1156 OG1 THR A 79 0.198 -22.160 -1.204 1.00 34.34 O ATOM 1157 CG2 THR A 79 1.608 -23.914 -0.338 1.00 15.12 C ATOM 0 H THR A 79 -0.937 -21.734 1.336 1.00 4.44 H new ATOM 0 HA THR A 79 1.937 -22.109 1.692 1.00 61.43 H new ATOM 0 HB THR A 79 2.232 -21.931 -0.786 1.00 30.30 H new ATOM 0 HG1 THR A 79 0.350 -22.533 -2.098 1.00 34.34 H new ATOM 0 HG21 THR A 79 1.769 -24.281 -1.352 1.00 15.12 H new ATOM 0 HG22 THR A 79 2.494 -24.113 0.265 1.00 15.12 H new ATOM 0 HG23 THR A 79 0.749 -24.422 0.100 1.00 15.12 H new ATOM 1165 N LEU A 80 2.060 -19.616 0.971 1.00 63.22 N ATOM 1166 CA LEU A 80 2.021 -18.182 0.806 1.00 24.43 C ATOM 1167 C LEU A 80 1.656 -17.838 -0.627 1.00 51.00 C ATOM 1168 O LEU A 80 0.864 -16.938 -0.870 1.00 60.24 O ATOM 1169 CB LEU A 80 3.348 -17.553 1.244 1.00 54.54 C ATOM 1170 CG LEU A 80 3.303 -16.734 2.544 1.00 42.43 C ATOM 1171 CD1 LEU A 80 2.596 -15.444 2.353 1.00 63.12 C ATOM 1172 CD2 LEU A 80 2.629 -17.493 3.628 1.00 1.04 C ATOM 0 H LEU A 80 2.990 -20.001 1.136 1.00 63.22 H new ATOM 0 HA LEU A 80 1.249 -17.761 1.450 1.00 24.43 H new ATOM 0 HB2 LEU A 80 4.084 -18.348 1.363 1.00 54.54 H new ATOM 0 HB3 LEU A 80 3.704 -16.907 0.442 1.00 54.54 H new ATOM 0 HG LEU A 80 4.337 -16.534 2.825 1.00 42.43 H new ATOM 0 HD11 LEU A 80 2.584 -14.893 3.293 1.00 63.12 H new ATOM 0 HD12 LEU A 80 3.111 -14.856 1.594 1.00 63.12 H new ATOM 0 HD13 LEU A 80 1.572 -15.634 2.031 1.00 63.12 H new ATOM 0 HD21 LEU A 80 2.611 -16.891 4.537 1.00 1.04 H new ATOM 0 HD22 LEU A 80 1.608 -17.727 3.327 1.00 1.04 H new ATOM 0 HD23 LEU A 80 3.173 -18.418 3.817 1.00 1.04 H new ATOM 1184 N ALA A 81 2.153 -18.654 -1.553 1.00 41.03 N ATOM 1185 CA ALA A 81 1.900 -18.494 -2.981 1.00 5.32 C ATOM 1186 C ALA A 81 0.396 -18.509 -3.316 1.00 74.42 C ATOM 1187 O ALA A 81 -0.076 -17.679 -4.104 1.00 24.23 O ATOM 1188 CB ALA A 81 2.627 -19.575 -3.769 1.00 3.31 C ATOM 0 H ALA A 81 2.748 -19.452 -1.330 1.00 41.03 H new ATOM 0 HA ALA A 81 2.284 -17.515 -3.269 1.00 5.32 H new ATOM 0 HB1 ALA A 81 2.430 -19.444 -4.833 1.00 3.31 H new ATOM 0 HB2 ALA A 81 3.699 -19.500 -3.587 1.00 3.31 H new ATOM 0 HB3 ALA A 81 2.273 -20.556 -3.452 1.00 3.31 H new ATOM 1194 N ALA A 82 -0.358 -19.436 -2.723 1.00 3.11 N ATOM 1195 CA ALA A 82 -1.790 -19.500 -3.003 1.00 44.11 C ATOM 1196 C ALA A 82 -2.567 -18.523 -2.159 1.00 75.11 C ATOM 1197 O ALA A 82 -3.545 -17.942 -2.632 1.00 32.33 O ATOM 1198 CB ALA A 82 -2.358 -20.889 -2.844 1.00 61.20 C ATOM 0 H ALA A 82 -0.012 -20.134 -2.064 1.00 3.11 H new ATOM 0 HA ALA A 82 -1.898 -19.221 -4.051 1.00 44.11 H new ATOM 0 HB1 ALA A 82 -3.425 -20.873 -3.065 1.00 61.20 H new ATOM 0 HB2 ALA A 82 -1.855 -21.569 -3.532 1.00 61.20 H new ATOM 0 HB3 ALA A 82 -2.205 -21.230 -1.820 1.00 61.20 H new ATOM 1204 N TRP A 83 -2.136 -18.317 -0.912 1.00 32.31 N ATOM 1205 CA TRP A 83 -2.808 -17.363 -0.040 1.00 21.40 C ATOM 1206 C TRP A 83 -2.738 -15.979 -0.634 1.00 51.00 C ATOM 1207 O TRP A 83 -3.661 -15.224 -0.527 1.00 51.32 O ATOM 1208 CB TRP A 83 -2.250 -17.383 1.370 1.00 52.50 C ATOM 1209 CG TRP A 83 -2.597 -18.615 2.164 1.00 3.22 C ATOM 1210 CD1 TRP A 83 -3.279 -19.727 1.754 1.00 22.24 C ATOM 1211 CD2 TRP A 83 -2.284 -18.827 3.515 1.00 24.04 C ATOM 1212 NE1 TRP A 83 -3.378 -20.623 2.777 1.00 61.40 N ATOM 1213 CE2 TRP A 83 -2.786 -20.085 3.882 1.00 3.14 C ATOM 1214 CE3 TRP A 83 -1.623 -18.065 4.443 1.00 73.02 C ATOM 1215 CZ2 TRP A 83 -2.646 -20.594 5.160 1.00 25.40 C ATOM 1216 CZ3 TRP A 83 -1.477 -18.560 5.728 1.00 24.22 C ATOM 1217 CH2 TRP A 83 -1.993 -19.821 6.077 1.00 50.25 C ATOM 0 H TRP A 83 -1.337 -18.792 -0.492 1.00 32.31 H new ATOM 0 HA TRP A 83 -3.854 -17.661 0.035 1.00 21.40 H new ATOM 0 HB2 TRP A 83 -1.165 -17.294 1.319 1.00 52.50 H new ATOM 0 HB3 TRP A 83 -2.617 -16.507 1.904 1.00 52.50 H new ATOM 0 HD1 TRP A 83 -3.681 -19.874 0.763 1.00 22.24 H new ATOM 0 HE1 TRP A 83 -3.820 -21.541 2.725 1.00 61.40 H new ATOM 0 HE3 TRP A 83 -1.224 -17.097 4.177 1.00 73.02 H new ATOM 0 HZ2 TRP A 83 -3.038 -21.565 5.423 1.00 25.40 H new ATOM 0 HZ3 TRP A 83 -0.961 -17.971 6.471 1.00 24.22 H new ATOM 0 HH2 TRP A 83 -1.871 -20.184 7.087 1.00 50.25 H new ATOM 1228 N ASN A 84 -1.620 -15.688 -1.257 1.00 1.52 N ATOM 1229 CA ASN A 84 -1.413 -14.470 -2.091 1.00 55.33 C ATOM 1230 C ASN A 84 -2.622 -14.193 -2.975 1.00 74.31 C ATOM 1231 O ASN A 84 -3.194 -13.096 -2.942 1.00 43.34 O ATOM 1232 CB ASN A 84 -0.180 -14.701 -2.972 1.00 44.11 C ATOM 1233 CG ASN A 84 0.130 -13.610 -3.991 1.00 1.44 C ATOM 1234 OD1 ASN A 84 -0.087 -12.407 -3.772 1.00 20.24 O ATOM 1235 ND2 ASN A 84 0.651 -14.029 -5.125 1.00 64.52 N ATOM 0 H ASN A 84 -0.796 -16.288 -1.214 1.00 1.52 H new ATOM 0 HA ASN A 84 -1.272 -13.609 -1.438 1.00 55.33 H new ATOM 0 HB2 ASN A 84 0.688 -14.821 -2.323 1.00 44.11 H new ATOM 0 HB3 ASN A 84 -0.311 -15.642 -3.506 1.00 44.11 H new ATOM 0 HD21 ASN A 84 0.889 -13.358 -5.856 1.00 64.52 H new ATOM 0 HD22 ASN A 84 0.817 -15.025 -5.273 1.00 64.52 H new ATOM 1242 N GLN A 85 -3.036 -15.208 -3.711 1.00 33.55 N ATOM 1243 CA GLN A 85 -4.186 -15.113 -4.585 1.00 43.33 C ATOM 1244 C GLN A 85 -5.448 -14.949 -3.747 1.00 42.43 C ATOM 1245 O GLN A 85 -6.240 -14.051 -3.968 1.00 41.35 O ATOM 1246 CB GLN A 85 -4.290 -16.371 -5.464 1.00 62.42 C ATOM 1247 CG GLN A 85 -5.524 -16.398 -6.358 1.00 42.23 C ATOM 1248 CD GLN A 85 -5.593 -17.632 -7.222 1.00 22.33 C ATOM 1249 OE1 GLN A 85 -6.138 -18.650 -6.829 1.00 51.04 O ATOM 1250 NE2 GLN A 85 -5.063 -17.545 -8.414 1.00 4.21 N ATOM 0 H GLN A 85 -2.582 -16.122 -3.718 1.00 33.55 H new ATOM 0 HA GLN A 85 -4.073 -14.246 -5.236 1.00 43.33 H new ATOM 0 HB2 GLN A 85 -3.399 -16.441 -6.088 1.00 62.42 H new ATOM 0 HB3 GLN A 85 -4.299 -17.252 -4.822 1.00 62.42 H new ATOM 0 HG2 GLN A 85 -6.418 -16.344 -5.737 1.00 42.23 H new ATOM 0 HG3 GLN A 85 -5.525 -15.514 -6.995 1.00 42.23 H new ATOM 0 HE21 GLN A 85 -4.615 -16.678 -8.711 1.00 4.21 H new ATOM 0 HE22 GLN A 85 -5.098 -18.344 -9.047 1.00 4.21 H new ATOM 1259 N LEU A 86 -5.573 -15.779 -2.738 1.00 72.11 N ATOM 1260 CA LEU A 86 -6.741 -15.802 -1.873 1.00 20.11 C ATOM 1261 C LEU A 86 -6.956 -14.478 -1.112 1.00 64.43 C ATOM 1262 O LEU A 86 -8.066 -14.152 -0.766 1.00 0.32 O ATOM 1263 CB LEU A 86 -6.635 -16.965 -0.891 1.00 32.40 C ATOM 1264 CG LEU A 86 -6.525 -18.360 -1.516 1.00 64.21 C ATOM 1265 CD1 LEU A 86 -6.386 -19.403 -0.439 1.00 61.24 C ATOM 1266 CD2 LEU A 86 -7.734 -18.669 -2.388 1.00 44.55 C ATOM 0 H LEU A 86 -4.862 -16.466 -2.488 1.00 72.11 H new ATOM 0 HA LEU A 86 -7.611 -15.935 -2.516 1.00 20.11 H new ATOM 0 HB2 LEU A 86 -5.763 -16.802 -0.257 1.00 32.40 H new ATOM 0 HB3 LEU A 86 -7.510 -16.947 -0.241 1.00 32.40 H new ATOM 0 HG LEU A 86 -5.637 -18.377 -2.148 1.00 64.21 H new ATOM 0 HD11 LEU A 86 -6.309 -20.390 -0.896 1.00 61.24 H new ATOM 0 HD12 LEU A 86 -5.489 -19.203 0.147 1.00 61.24 H new ATOM 0 HD13 LEU A 86 -7.259 -19.372 0.212 1.00 61.24 H new ATOM 0 HD21 LEU A 86 -7.628 -19.665 -2.818 1.00 44.55 H new ATOM 0 HD22 LEU A 86 -8.639 -18.630 -1.782 1.00 44.55 H new ATOM 0 HD23 LEU A 86 -7.802 -17.933 -3.190 1.00 44.55 H new ATOM 1278 N MET A 87 -5.902 -13.703 -0.928 1.00 72.43 N ATOM 1279 CA MET A 87 -5.955 -12.469 -0.140 1.00 45.12 C ATOM 1280 C MET A 87 -6.470 -11.385 -1.003 1.00 31.12 C ATOM 1281 O MET A 87 -7.391 -10.647 -0.667 1.00 41.40 O ATOM 1282 CB MET A 87 -4.540 -12.073 0.351 1.00 62.12 C ATOM 1283 CG MET A 87 -3.964 -12.980 1.415 1.00 32.41 C ATOM 1284 SD MET A 87 -4.707 -12.735 3.023 1.00 24.23 S ATOM 1285 CE MET A 87 -3.874 -11.229 3.560 1.00 10.40 C ATOM 0 H MET A 87 -4.981 -13.905 -1.318 1.00 72.43 H new ATOM 0 HA MET A 87 -6.600 -12.626 0.724 1.00 45.12 H new ATOM 0 HB2 MET A 87 -3.863 -12.063 -0.504 1.00 62.12 H new ATOM 0 HB3 MET A 87 -4.577 -11.056 0.741 1.00 62.12 H new ATOM 0 HG2 MET A 87 -4.101 -14.018 1.112 1.00 32.41 H new ATOM 0 HG3 MET A 87 -2.890 -12.809 1.488 1.00 32.41 H new ATOM 0 HE1 MET A 87 -4.427 -10.782 4.386 1.00 10.40 H new ATOM 0 HE2 MET A 87 -2.863 -11.470 3.888 1.00 10.40 H new ATOM 0 HE3 MET A 87 -3.828 -10.523 2.731 1.00 10.40 H new ATOM 1295 N LEU A 88 -5.913 -11.352 -2.145 1.00 51.02 N ATOM 1296 CA LEU A 88 -6.113 -10.351 -3.070 1.00 50.51 C ATOM 1297 C LEU A 88 -7.393 -10.528 -3.841 1.00 33.13 C ATOM 1298 O LEU A 88 -8.205 -9.593 -3.903 1.00 25.42 O ATOM 1299 CB LEU A 88 -4.902 -10.329 -3.952 1.00 45.04 C ATOM 1300 CG LEU A 88 -5.069 -9.535 -5.155 1.00 75.52 C ATOM 1301 CD1 LEU A 88 -5.154 -8.055 -4.799 1.00 70.41 C ATOM 1302 CD2 LEU A 88 -4.012 -9.826 -6.188 1.00 1.52 C ATOM 0 H LEU A 88 -5.268 -12.074 -2.465 1.00 51.02 H new ATOM 0 HA LEU A 88 -6.232 -9.389 -2.572 1.00 50.51 H new ATOM 0 HB2 LEU A 88 -4.057 -9.939 -3.384 1.00 45.04 H new ATOM 0 HB3 LEU A 88 -4.651 -11.351 -4.234 1.00 45.04 H new ATOM 0 HG LEU A 88 -6.012 -9.820 -5.622 1.00 75.52 H new ATOM 0 HD11 LEU A 88 -5.279 -7.468 -5.709 1.00 70.41 H new ATOM 0 HD12 LEU A 88 -6.006 -7.888 -4.139 1.00 70.41 H new ATOM 0 HD13 LEU A 88 -4.238 -7.749 -4.293 1.00 70.41 H new ATOM 0 HD21 LEU A 88 -4.183 -9.206 -7.068 1.00 1.52 H new ATOM 0 HD22 LEU A 88 -3.028 -9.605 -5.774 1.00 1.52 H new ATOM 0 HD23 LEU A 88 -4.059 -10.878 -6.471 1.00 1.52 H new ATOM 1314 N SER A 89 -7.620 -11.713 -4.360 1.00 50.32 N ATOM 1315 CA SER A 89 -8.788 -11.973 -5.156 1.00 52.14 C ATOM 1316 C SER A 89 -10.086 -11.979 -4.303 1.00 74.24 C ATOM 1317 O SER A 89 -11.156 -12.341 -4.781 1.00 11.31 O ATOM 1318 CB SER A 89 -8.612 -13.259 -5.958 1.00 11.30 C ATOM 1319 OG SER A 89 -7.437 -13.184 -6.755 1.00 42.45 O ATOM 0 H SER A 89 -7.002 -12.516 -4.241 1.00 50.32 H new ATOM 0 HA SER A 89 -8.902 -11.154 -5.866 1.00 52.14 H new ATOM 0 HB2 SER A 89 -8.548 -14.112 -5.282 1.00 11.30 H new ATOM 0 HB3 SER A 89 -9.482 -13.421 -6.594 1.00 11.30 H new ATOM 0 HG SER A 89 -6.656 -13.414 -6.209 1.00 42.45 H new