USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 644 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 83 CYS SG : rot 32:sc= 0.935 USER MOD Set 1.2: A 85 TYR OH : rot 119:sc= 1.06 USER MOD Set 2.1: A 68 GLN : amide:sc= 0.315 K(o=0.65,f=-1.2) USER MOD Set 2.2: A 70 SER OG : rot 142:sc= 0.336 USER MOD Set 3.1: A 27 CYS SG : rot 165:sc= 0.762 USER MOD Set 3.2: A 77 CYS SG : rot -142:sc= 1.33 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.501 K(o=-0.5,f=-1.7) USER MOD Single : A 16 HIS :FLIP no HD1:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 19 THR OG1 : rot 26:sc= 0.262 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -24:sc= 0.335 USER MOD Single : A 24 MET CE :methyl -132:sc= -0.337 (180deg=-0.626) USER MOD Single : A 39 TYR OH : rot -116:sc= 0.188 USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= 0.792 (180deg=0.0293) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 67 THR OG1 : rot 123:sc= 0.501 USER MOD Single : A 76 GLN : amide:sc= 0.0299 K(o=0.03,f=-0.49!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0473 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N VAL A 4 -11.219 -11.420 -2.544 1.00 23.41 N ATOM 51 CA VAL A 4 -9.806 -11.095 -2.231 1.00 4.02 C ATOM 52 C VAL A 4 -9.659 -10.404 -0.843 1.00 11.43 C ATOM 53 O VAL A 4 -9.869 -9.189 -0.685 1.00 32.11 O ATOM 54 CB VAL A 4 -9.157 -10.234 -3.384 1.00 11.02 C ATOM 55 CG1 VAL A 4 -10.018 -8.994 -3.733 1.00 74.43 C ATOM 56 CG2 VAL A 4 -7.689 -9.849 -3.049 1.00 21.45 C ATOM 0 HA VAL A 4 -9.260 -12.036 -2.170 1.00 4.02 H new ATOM 0 HB VAL A 4 -9.129 -10.857 -4.278 1.00 11.02 H new ATOM 0 HG11 VAL A 4 -9.536 -8.429 -4.531 1.00 74.43 H new ATOM 0 HG12 VAL A 4 -11.005 -9.318 -4.063 1.00 74.43 H new ATOM 0 HG13 VAL A 4 -10.120 -8.362 -2.851 1.00 74.43 H new ATOM 0 HG21 VAL A 4 -7.273 -9.257 -3.864 1.00 21.45 H new ATOM 0 HG22 VAL A 4 -7.667 -9.266 -2.129 1.00 21.45 H new ATOM 0 HG23 VAL A 4 -7.096 -10.754 -2.919 1.00 21.45 H new ATOM 66 N HIS A 5 -9.336 -11.217 0.175 1.00 61.24 N ATOM 67 CA HIS A 5 -9.057 -10.724 1.537 1.00 54.52 C ATOM 68 C HIS A 5 -7.590 -10.250 1.674 1.00 23.24 C ATOM 69 O HIS A 5 -6.661 -10.950 1.262 1.00 34.34 O ATOM 70 CB HIS A 5 -9.405 -11.800 2.605 1.00 74.43 C ATOM 71 CG HIS A 5 -10.893 -12.019 2.795 1.00 71.53 C ATOM 72 ND1 HIS A 5 -11.616 -11.432 3.816 1.00 13.52 N ATOM 73 CD2 HIS A 5 -11.790 -12.749 2.088 1.00 1.21 C ATOM 74 CE1 HIS A 5 -12.880 -11.793 3.727 1.00 0.32 C ATOM 75 NE2 HIS A 5 -13.015 -12.588 2.687 1.00 74.14 N ATOM 0 H HIS A 5 -9.261 -12.230 0.080 1.00 61.24 H new ATOM 0 HA HIS A 5 -9.699 -9.861 1.715 1.00 54.52 H new ATOM 0 HB2 HIS A 5 -8.942 -12.745 2.319 1.00 74.43 H new ATOM 0 HB3 HIS A 5 -8.966 -11.506 3.559 1.00 74.43 H new ATOM 0 HD2 HIS A 5 -11.580 -13.347 1.214 1.00 1.21 H new ATOM 0 HE1 HIS A 5 -13.672 -11.488 4.395 1.00 0.32 H new ATOM 0 HE2 HIS A 5 -13.888 -13.015 2.376 1.00 74.14 H new ATOM 84 N ILE A 6 -7.395 -9.034 2.223 1.00 21.20 N ATOM 85 CA ILE A 6 -6.050 -8.505 2.529 1.00 14.25 C ATOM 86 C ILE A 6 -5.481 -9.248 3.760 1.00 4.15 C ATOM 87 O ILE A 6 -5.808 -8.941 4.914 1.00 53.31 O ATOM 88 CB ILE A 6 -6.066 -6.946 2.732 1.00 63.12 C ATOM 89 CG1 ILE A 6 -6.553 -6.259 1.413 1.00 71.35 C ATOM 90 CG2 ILE A 6 -4.674 -6.403 3.166 1.00 43.40 C ATOM 91 CD1 ILE A 6 -6.625 -4.746 1.449 1.00 44.35 C ATOM 0 H ILE A 6 -8.155 -8.398 2.464 1.00 21.20 H new ATOM 0 HA ILE A 6 -5.394 -8.686 1.677 1.00 14.25 H new ATOM 0 HB ILE A 6 -6.758 -6.709 3.540 1.00 63.12 H new ATOM 0 HG12 ILE A 6 -5.885 -6.554 0.603 1.00 71.35 H new ATOM 0 HG13 ILE A 6 -7.542 -6.646 1.167 1.00 71.35 H new ATOM 0 HG21 ILE A 6 -4.729 -5.322 3.295 1.00 43.40 H new ATOM 0 HG22 ILE A 6 -4.380 -6.867 4.108 1.00 43.40 H new ATOM 0 HG23 ILE A 6 -3.936 -6.639 2.399 1.00 43.40 H new ATOM 0 HD11 ILE A 6 -6.974 -4.375 0.485 1.00 44.35 H new ATOM 0 HD12 ILE A 6 -7.318 -4.433 2.230 1.00 44.35 H new ATOM 0 HD13 ILE A 6 -5.635 -4.340 1.658 1.00 44.35 H new ATOM 103 N VAL A 7 -4.689 -10.282 3.452 1.00 14.22 N ATOM 104 CA VAL A 7 -4.099 -11.209 4.435 1.00 14.24 C ATOM 105 C VAL A 7 -3.127 -10.509 5.425 1.00 2.14 C ATOM 106 O VAL A 7 -3.067 -10.880 6.606 1.00 22.03 O ATOM 107 CB VAL A 7 -3.385 -12.399 3.684 1.00 42.12 C ATOM 108 CG1 VAL A 7 -4.426 -13.336 3.020 1.00 23.40 C ATOM 109 CG2 VAL A 7 -2.376 -11.877 2.623 1.00 31.25 C ATOM 0 H VAL A 7 -4.432 -10.506 2.491 1.00 14.22 H new ATOM 0 HA VAL A 7 -4.915 -11.600 5.043 1.00 14.24 H new ATOM 0 HB VAL A 7 -2.828 -12.968 4.428 1.00 42.12 H new ATOM 0 HG11 VAL A 7 -3.910 -14.149 2.508 1.00 23.40 H new ATOM 0 HG12 VAL A 7 -5.084 -13.749 3.785 1.00 23.40 H new ATOM 0 HG13 VAL A 7 -5.017 -12.771 2.299 1.00 23.40 H new ATOM 0 HG21 VAL A 7 -1.902 -12.723 2.125 1.00 31.25 H new ATOM 0 HG22 VAL A 7 -2.903 -11.271 1.887 1.00 31.25 H new ATOM 0 HG23 VAL A 7 -1.614 -11.271 3.113 1.00 31.25 H new ATOM 119 N ASP A 8 -2.390 -9.495 4.930 1.00 51.15 N ATOM 120 CA ASP A 8 -1.459 -8.687 5.749 1.00 33.33 C ATOM 121 C ASP A 8 -1.063 -7.389 4.983 1.00 12.00 C ATOM 122 O ASP A 8 -0.744 -7.468 3.808 1.00 52.31 O ATOM 123 CB ASP A 8 -0.200 -9.520 6.112 1.00 75.35 C ATOM 124 CG ASP A 8 0.640 -8.859 7.210 1.00 64.21 C ATOM 125 OD1 ASP A 8 0.149 -8.776 8.355 1.00 51.03 O ATOM 126 OD2 ASP A 8 1.786 -8.439 6.946 1.00 42.24 O ATOM 0 H ASP A 8 -2.422 -9.211 3.951 1.00 51.15 H new ATOM 0 HA ASP A 8 -1.957 -8.402 6.676 1.00 33.33 H new ATOM 0 HB2 ASP A 8 -0.507 -10.513 6.441 1.00 75.35 H new ATOM 0 HB3 ASP A 8 0.413 -9.655 5.221 1.00 75.35 H new ATOM 131 N PRO A 9 -1.082 -6.161 5.614 1.00 1.11 N ATOM 132 CA PRO A 9 -1.479 -5.939 7.021 1.00 34.12 C ATOM 133 C PRO A 9 -3.022 -5.927 7.233 1.00 65.41 C ATOM 134 O PRO A 9 -3.762 -5.136 6.637 1.00 21.52 O ATOM 135 CB PRO A 9 -0.837 -4.572 7.353 1.00 2.15 C ATOM 136 CG PRO A 9 -0.854 -3.828 6.054 1.00 22.53 C ATOM 137 CD PRO A 9 -0.679 -4.879 4.966 1.00 71.35 C ATOM 0 HA PRO A 9 -1.145 -6.745 7.674 1.00 34.12 H new ATOM 0 HB2 PRO A 9 -1.402 -4.044 8.121 1.00 2.15 H new ATOM 0 HB3 PRO A 9 0.179 -4.691 7.730 1.00 2.15 H new ATOM 0 HG2 PRO A 9 -1.792 -3.287 5.927 1.00 22.53 H new ATOM 0 HG3 PRO A 9 -0.052 -3.090 6.016 1.00 22.53 H new ATOM 0 HD2 PRO A 9 -1.302 -4.660 4.099 1.00 71.35 H new ATOM 0 HD3 PRO A 9 0.352 -4.919 4.615 1.00 71.35 H new ATOM 145 N ARG A 10 -3.470 -6.831 8.112 1.00 53.03 N ATOM 146 CA ARG A 10 -4.882 -6.926 8.583 1.00 35.44 C ATOM 147 C ARG A 10 -5.145 -5.927 9.757 1.00 34.04 C ATOM 148 O ARG A 10 -5.829 -6.248 10.734 1.00 74.14 O ATOM 149 CB ARG A 10 -5.236 -8.425 8.956 1.00 54.21 C ATOM 150 CG ARG A 10 -4.047 -9.289 9.465 1.00 61.02 C ATOM 151 CD ARG A 10 -3.371 -8.734 10.747 1.00 64.30 C ATOM 152 NE ARG A 10 -1.905 -8.924 10.727 1.00 5.14 N ATOM 153 CZ ARG A 10 -1.034 -8.216 11.423 1.00 54.13 C ATOM 154 NH1 ARG A 10 -1.420 -7.362 12.316 1.00 72.31 N ATOM 155 NH2 ARG A 10 0.231 -8.371 11.215 1.00 12.01 N ATOM 0 H ARG A 10 -2.862 -7.535 8.531 1.00 53.03 H new ATOM 0 HA ARG A 10 -5.552 -6.632 7.775 1.00 35.44 H new ATOM 0 HB2 ARG A 10 -6.010 -8.417 9.723 1.00 54.21 H new ATOM 0 HB3 ARG A 10 -5.663 -8.908 8.077 1.00 54.21 H new ATOM 0 HG2 ARG A 10 -4.403 -10.300 9.662 1.00 61.02 H new ATOM 0 HG3 ARG A 10 -3.300 -9.363 8.675 1.00 61.02 H new ATOM 0 HD2 ARG A 10 -3.598 -7.672 10.846 1.00 64.30 H new ATOM 0 HD3 ARG A 10 -3.789 -9.232 11.622 1.00 64.30 H new ATOM 0 HE ARG A 10 -1.536 -9.662 10.127 1.00 5.14 H new ATOM 0 HH11 ARG A 10 -2.415 -7.225 12.494 1.00 72.31 H new ATOM 0 HH12 ARG A 10 -0.729 -6.826 12.842 1.00 72.31 H new ATOM 0 HH21 ARG A 10 0.555 -9.039 10.515 1.00 12.01 H new ATOM 0 HH22 ARG A 10 0.906 -7.826 11.751 1.00 12.01 H new ATOM 169 N GLU A 11 -4.615 -4.693 9.609 1.00 23.35 N ATOM 170 CA GLU A 11 -4.646 -3.644 10.655 1.00 44.42 C ATOM 171 C GLU A 11 -4.542 -2.225 10.027 1.00 12.51 C ATOM 172 O GLU A 11 -4.588 -2.061 8.801 1.00 3.25 O ATOM 173 CB GLU A 11 -3.488 -3.871 11.677 1.00 1.10 C ATOM 174 CG GLU A 11 -2.063 -3.754 11.079 1.00 43.12 C ATOM 175 CD GLU A 11 -0.956 -3.697 12.147 1.00 15.34 C ATOM 176 OE1 GLU A 11 -0.493 -4.757 12.600 1.00 20.42 O ATOM 177 OE2 GLU A 11 -0.579 -2.582 12.562 1.00 12.02 O ATOM 0 H GLU A 11 -4.149 -4.393 8.753 1.00 23.35 H new ATOM 0 HA GLU A 11 -5.600 -3.712 11.178 1.00 44.42 H new ATOM 0 HB2 GLU A 11 -3.588 -3.147 12.486 1.00 1.10 H new ATOM 0 HB3 GLU A 11 -3.601 -4.861 12.120 1.00 1.10 H new ATOM 0 HG2 GLU A 11 -1.881 -4.605 10.423 1.00 43.12 H new ATOM 0 HG3 GLU A 11 -2.008 -2.858 10.461 1.00 43.12 H new ATOM 184 N HIS A 12 -4.410 -1.202 10.895 1.00 14.23 N ATOM 185 CA HIS A 12 -4.297 0.215 10.490 1.00 30.14 C ATOM 186 C HIS A 12 -2.867 0.728 10.800 1.00 71.41 C ATOM 187 O HIS A 12 -2.536 1.007 11.959 1.00 5.32 O ATOM 188 CB HIS A 12 -5.364 1.050 11.239 1.00 10.04 C ATOM 189 CG HIS A 12 -6.773 0.529 11.083 1.00 14.11 C ATOM 190 ND1 HIS A 12 -7.678 1.070 10.201 1.00 14.41 N ATOM 191 CD2 HIS A 12 -7.426 -0.492 11.698 1.00 31.10 C ATOM 192 CE1 HIS A 12 -8.810 0.411 10.274 1.00 31.14 C ATOM 193 NE2 HIS A 12 -8.684 -0.538 11.172 1.00 33.32 N ATOM 0 H HIS A 12 -4.378 -1.336 11.906 1.00 14.23 H new ATOM 0 HA HIS A 12 -4.472 0.314 9.419 1.00 30.14 H new ATOM 0 HB2 HIS A 12 -5.112 1.075 12.299 1.00 10.04 H new ATOM 0 HB3 HIS A 12 -5.326 2.078 10.878 1.00 10.04 H new ATOM 0 HD2 HIS A 12 -7.025 -1.144 12.460 1.00 31.10 H new ATOM 0 HE1 HIS A 12 -9.697 0.615 9.693 1.00 31.14 H new ATOM 0 HE2 HIS A 12 -9.411 -1.204 11.435 1.00 33.32 H new ATOM 202 N VAL A 13 -2.023 0.816 9.758 1.00 41.23 N ATOM 203 CA VAL A 13 -0.589 1.157 9.904 1.00 12.54 C ATOM 204 C VAL A 13 -0.339 2.677 9.728 1.00 0.12 C ATOM 205 O VAL A 13 -0.450 3.215 8.618 1.00 71.23 O ATOM 206 CB VAL A 13 0.293 0.346 8.877 1.00 23.44 C ATOM 207 CG1 VAL A 13 1.805 0.656 9.046 1.00 22.54 C ATOM 208 CG2 VAL A 13 0.015 -1.175 8.987 1.00 61.24 C ATOM 0 H VAL A 13 -2.310 0.654 8.793 1.00 41.23 H new ATOM 0 HA VAL A 13 -0.298 0.880 10.917 1.00 12.54 H new ATOM 0 HB VAL A 13 0.009 0.669 7.875 1.00 23.44 H new ATOM 0 HG11 VAL A 13 2.378 0.078 8.321 1.00 22.54 H new ATOM 0 HG12 VAL A 13 1.979 1.719 8.882 1.00 22.54 H new ATOM 0 HG13 VAL A 13 2.121 0.388 10.054 1.00 22.54 H new ATOM 0 HG21 VAL A 13 0.635 -1.711 8.269 1.00 61.24 H new ATOM 0 HG22 VAL A 13 0.250 -1.516 9.995 1.00 61.24 H new ATOM 0 HG23 VAL A 13 -1.036 -1.369 8.774 1.00 61.24 H new ATOM 218 N PHE A 14 -0.016 3.368 10.836 1.00 73.52 N ATOM 219 CA PHE A 14 0.446 4.769 10.788 1.00 33.42 C ATOM 220 C PHE A 14 1.944 4.814 10.387 1.00 15.45 C ATOM 221 O PHE A 14 2.817 4.422 11.171 1.00 2.20 O ATOM 222 CB PHE A 14 0.262 5.471 12.160 1.00 71.41 C ATOM 223 CG PHE A 14 -1.177 5.546 12.668 1.00 11.14 C ATOM 224 CD1 PHE A 14 -1.729 4.507 13.420 1.00 31.44 C ATOM 225 CD2 PHE A 14 -1.967 6.667 12.412 1.00 72.41 C ATOM 226 CE1 PHE A 14 -3.023 4.591 13.899 1.00 32.42 C ATOM 227 CE2 PHE A 14 -3.259 6.749 12.889 1.00 70.24 C ATOM 228 CZ PHE A 14 -3.786 5.713 13.633 1.00 64.34 C ATOM 0 H PHE A 14 -0.066 2.979 11.778 1.00 73.52 H new ATOM 0 HA PHE A 14 -0.155 5.296 10.047 1.00 33.42 H new ATOM 0 HB2 PHE A 14 0.865 4.946 12.901 1.00 71.41 H new ATOM 0 HB3 PHE A 14 0.657 6.484 12.087 1.00 71.41 H new ATOM 0 HD1 PHE A 14 -1.138 3.628 13.630 1.00 31.44 H new ATOM 0 HD2 PHE A 14 -1.561 7.483 11.832 1.00 72.41 H new ATOM 0 HE1 PHE A 14 -3.438 3.781 14.481 1.00 32.42 H new ATOM 0 HE2 PHE A 14 -3.858 7.623 12.680 1.00 70.24 H new ATOM 0 HZ PHE A 14 -4.797 5.779 14.008 1.00 64.34 H new ATOM 238 N VAL A 15 2.226 5.292 9.171 1.00 13.20 N ATOM 239 CA VAL A 15 3.600 5.532 8.688 1.00 1.21 C ATOM 240 C VAL A 15 4.031 6.962 9.089 1.00 51.24 C ATOM 241 O VAL A 15 3.224 7.883 9.054 1.00 22.21 O ATOM 242 CB VAL A 15 3.682 5.332 7.128 1.00 43.33 C ATOM 243 CG1 VAL A 15 5.102 5.621 6.578 1.00 65.32 C ATOM 244 CG2 VAL A 15 3.210 3.905 6.747 1.00 2.11 C ATOM 0 H VAL A 15 1.507 5.526 8.486 1.00 13.20 H new ATOM 0 HA VAL A 15 4.279 4.813 9.145 1.00 1.21 H new ATOM 0 HB VAL A 15 3.014 6.056 6.662 1.00 43.33 H new ATOM 0 HG11 VAL A 15 5.112 5.470 5.498 1.00 65.32 H new ATOM 0 HG12 VAL A 15 5.377 6.652 6.803 1.00 65.32 H new ATOM 0 HG13 VAL A 15 5.818 4.945 7.045 1.00 65.32 H new ATOM 0 HG21 VAL A 15 3.271 3.778 5.666 1.00 2.11 H new ATOM 0 HG22 VAL A 15 3.848 3.168 7.235 1.00 2.11 H new ATOM 0 HG23 VAL A 15 2.179 3.764 7.071 1.00 2.11 H new ATOM 254 N HIS A 16 5.284 7.143 9.521 1.00 72.20 N ATOM 255 CA HIS A 16 5.798 8.470 9.934 1.00 73.35 C ATOM 256 C HIS A 16 6.972 8.885 9.027 1.00 1.22 C ATOM 257 O HIS A 16 7.962 8.159 8.915 1.00 3.55 O ATOM 258 CB HIS A 16 6.193 8.427 11.429 1.00 23.14 C ATOM 259 CG HIS A 16 5.033 8.073 12.328 1.00 60.44 C ATOM 260 ND1 HIS A 16 3.925 8.777 12.673 1.00 30.54 N flip ATOM 261 CD2 HIS A 16 4.906 6.850 12.950 1.00 43.52 C flip ATOM 262 CE1 HIS A 16 3.169 7.968 13.480 1.00 31.22 C flip ATOM 263 NE2 HIS A 16 3.780 6.813 13.628 1.00 1.22 N flip ATOM 0 H HIS A 16 5.968 6.390 9.597 1.00 72.20 H new ATOM 0 HA HIS A 16 5.022 9.227 9.819 1.00 73.35 H new ATOM 0 HB2 HIS A 16 6.991 7.698 11.569 1.00 23.14 H new ATOM 0 HB3 HIS A 16 6.592 9.398 11.723 1.00 23.14 H new ATOM 0 HD2 HIS A 16 5.623 6.044 12.890 1.00 43.52 H new ATOM 0 HE1 HIS A 16 2.222 8.236 13.924 1.00 31.22 H new ATOM 0 HE2 HIS A 16 3.439 6.023 14.175 1.00 1.22 H new ATOM 272 N ALA A 17 6.837 10.049 8.363 1.00 42.24 N ATOM 273 CA ALA A 17 7.803 10.517 7.344 1.00 72.45 C ATOM 274 C ALA A 17 8.331 11.933 7.647 1.00 63.41 C ATOM 275 O ALA A 17 7.867 12.606 8.568 1.00 61.35 O ATOM 276 CB ALA A 17 7.143 10.476 5.957 1.00 52.44 C ATOM 0 H ALA A 17 6.059 10.691 8.515 1.00 42.24 H new ATOM 0 HA ALA A 17 8.663 9.848 7.364 1.00 72.45 H new ATOM 0 HB1 ALA A 17 7.854 10.821 5.206 1.00 52.44 H new ATOM 0 HB2 ALA A 17 6.840 9.454 5.728 1.00 52.44 H new ATOM 0 HB3 ALA A 17 6.267 11.124 5.952 1.00 52.44 H new ATOM 282 N ILE A 18 9.325 12.353 6.857 1.00 0.12 N ATOM 283 CA ILE A 18 9.902 13.719 6.881 1.00 43.23 C ATOM 284 C ILE A 18 9.757 14.349 5.465 1.00 60.11 C ATOM 285 O ILE A 18 9.514 13.627 4.480 1.00 20.42 O ATOM 286 CB ILE A 18 11.422 13.659 7.349 1.00 3.40 C ATOM 287 CG1 ILE A 18 11.539 13.078 8.798 1.00 14.31 C ATOM 288 CG2 ILE A 18 12.163 15.022 7.255 1.00 3.02 C ATOM 289 CD1 ILE A 18 10.869 13.919 9.878 1.00 21.51 C ATOM 0 H ILE A 18 9.766 11.747 6.165 1.00 0.12 H new ATOM 0 HA ILE A 18 9.367 14.345 7.595 1.00 43.23 H new ATOM 0 HB ILE A 18 11.919 12.990 6.646 1.00 3.40 H new ATOM 0 HG12 ILE A 18 11.102 12.080 8.811 1.00 14.31 H new ATOM 0 HG13 ILE A 18 12.595 12.967 9.046 1.00 14.31 H new ATOM 0 HG21 ILE A 18 13.193 14.900 7.591 1.00 3.02 H new ATOM 0 HG22 ILE A 18 12.157 15.369 6.222 1.00 3.02 H new ATOM 0 HG23 ILE A 18 11.660 15.754 7.886 1.00 3.02 H new ATOM 0 HD11 ILE A 18 11.002 13.439 10.848 1.00 21.51 H new ATOM 0 HD12 ILE A 18 11.321 14.911 9.899 1.00 21.51 H new ATOM 0 HD13 ILE A 18 9.805 14.010 9.661 1.00 21.51 H new ATOM 301 N THR A 19 9.864 15.692 5.372 1.00 35.20 N ATOM 302 CA THR A 19 9.902 16.418 4.079 1.00 43.11 C ATOM 303 C THR A 19 11.034 15.871 3.161 1.00 34.32 C ATOM 304 O THR A 19 12.194 15.805 3.585 1.00 22.43 O ATOM 305 CB THR A 19 10.110 17.960 4.298 1.00 45.02 C ATOM 306 OG1 THR A 19 11.365 18.206 4.965 1.00 3.21 O ATOM 307 CG2 THR A 19 8.970 18.577 5.132 1.00 34.14 C ATOM 0 H THR A 19 9.926 16.303 6.186 1.00 35.20 H new ATOM 0 HA THR A 19 8.940 16.256 3.593 1.00 43.11 H new ATOM 0 HB THR A 19 10.112 18.428 3.313 1.00 45.02 H new ATOM 0 HG1 THR A 19 11.987 17.473 4.773 1.00 3.21 H new ATOM 0 HG21 THR A 19 9.150 19.644 5.261 1.00 34.14 H new ATOM 0 HG22 THR A 19 8.021 18.429 4.617 1.00 34.14 H new ATOM 0 HG23 THR A 19 8.931 18.095 6.109 1.00 34.14 H new ATOM 315 N SER A 20 10.660 15.441 1.930 1.00 65.25 N ATOM 316 CA SER A 20 11.596 14.873 0.906 1.00 43.43 C ATOM 317 C SER A 20 12.160 13.473 1.289 1.00 43.13 C ATOM 318 O SER A 20 13.107 12.988 0.654 1.00 4.11 O ATOM 319 CB SER A 20 12.762 15.857 0.594 1.00 70.15 C ATOM 320 OG SER A 20 12.283 17.154 0.260 1.00 61.14 O ATOM 0 H SER A 20 9.692 15.476 1.609 1.00 65.25 H new ATOM 0 HA SER A 20 10.996 14.735 0.007 1.00 43.43 H new ATOM 0 HB2 SER A 20 13.422 15.925 1.459 1.00 70.15 H new ATOM 0 HB3 SER A 20 13.357 15.466 -0.231 1.00 70.15 H new ATOM 0 HG SER A 20 13.042 17.745 0.072 1.00 61.14 H new ATOM 326 N GLU A 21 11.569 12.817 2.308 1.00 75.42 N ATOM 327 CA GLU A 21 12.001 11.468 2.774 1.00 43.22 C ATOM 328 C GLU A 21 11.062 10.388 2.178 1.00 54.42 C ATOM 329 O GLU A 21 9.837 10.492 2.302 1.00 60.00 O ATOM 330 CB GLU A 21 12.006 11.424 4.341 1.00 0.21 C ATOM 331 CG GLU A 21 12.992 10.421 5.000 1.00 14.44 C ATOM 332 CD GLU A 21 12.663 8.934 4.759 1.00 41.31 C ATOM 333 OE1 GLU A 21 11.754 8.404 5.428 1.00 12.20 O ATOM 334 OE2 GLU A 21 13.320 8.288 3.911 1.00 3.42 O ATOM 0 H GLU A 21 10.782 13.198 2.834 1.00 75.42 H new ATOM 0 HA GLU A 21 13.015 11.264 2.430 1.00 43.22 H new ATOM 0 HB2 GLU A 21 12.237 12.423 4.710 1.00 0.21 H new ATOM 0 HB3 GLU A 21 10.998 11.185 4.679 1.00 0.21 H new ATOM 0 HG2 GLU A 21 13.996 10.621 4.625 1.00 14.44 H new ATOM 0 HG3 GLU A 21 13.010 10.605 6.074 1.00 14.44 H new ATOM 341 N CYS A 22 11.658 9.349 1.559 1.00 24.15 N ATOM 342 CA CYS A 22 10.920 8.315 0.785 1.00 11.05 C ATOM 343 C CYS A 22 10.007 7.414 1.668 1.00 64.41 C ATOM 344 O CYS A 22 10.432 6.910 2.714 1.00 2.54 O ATOM 345 CB CYS A 22 11.915 7.435 -0.009 1.00 64.25 C ATOM 346 SG CYS A 22 13.091 6.545 1.029 1.00 60.23 S ATOM 0 H CYS A 22 12.667 9.198 1.578 1.00 24.15 H new ATOM 0 HA CYS A 22 10.262 8.853 0.102 1.00 11.05 H new ATOM 0 HB2 CYS A 22 11.353 6.715 -0.604 1.00 64.25 H new ATOM 0 HB3 CYS A 22 12.466 8.065 -0.707 1.00 64.25 H new ATOM 0 HG CYS A 22 13.228 7.168 2.162 1.00 60.23 H new ATOM 352 N VAL A 23 8.744 7.228 1.222 1.00 4.52 N ATOM 353 CA VAL A 23 7.739 6.337 1.870 1.00 11.13 C ATOM 354 C VAL A 23 7.468 5.082 0.992 1.00 51.25 C ATOM 355 O VAL A 23 7.536 5.155 -0.233 1.00 11.44 O ATOM 356 CB VAL A 23 6.379 7.118 2.117 1.00 22.23 C ATOM 357 CG1 VAL A 23 5.276 6.219 2.739 1.00 2.12 C ATOM 358 CG2 VAL A 23 6.618 8.363 3.000 1.00 32.20 C ATOM 0 H VAL A 23 8.383 7.696 0.391 1.00 4.52 H new ATOM 0 HA VAL A 23 8.145 6.016 2.829 1.00 11.13 H new ATOM 0 HB VAL A 23 6.018 7.435 1.139 1.00 22.23 H new ATOM 0 HG11 VAL A 23 4.369 6.805 2.886 1.00 2.12 H new ATOM 0 HG12 VAL A 23 5.065 5.386 2.069 1.00 2.12 H new ATOM 0 HG13 VAL A 23 5.619 5.834 3.700 1.00 2.12 H new ATOM 0 HG21 VAL A 23 5.674 8.884 3.157 1.00 32.20 H new ATOM 0 HG22 VAL A 23 7.026 8.054 3.962 1.00 32.20 H new ATOM 0 HG23 VAL A 23 7.323 9.031 2.504 1.00 32.20 H new ATOM 368 N MET A 24 7.185 3.929 1.634 1.00 74.34 N ATOM 369 CA MET A 24 6.711 2.710 0.941 1.00 34.41 C ATOM 370 C MET A 24 5.573 2.047 1.757 1.00 51.11 C ATOM 371 O MET A 24 5.804 1.513 2.847 1.00 52.44 O ATOM 372 CB MET A 24 7.878 1.714 0.701 1.00 4.01 C ATOM 373 CG MET A 24 7.483 0.460 -0.099 1.00 23.15 C ATOM 374 SD MET A 24 8.854 -0.691 -0.345 1.00 23.11 S ATOM 375 CE MET A 24 10.035 0.321 -1.239 1.00 11.15 C ATOM 0 H MET A 24 7.278 3.816 2.643 1.00 74.34 H new ATOM 0 HA MET A 24 6.319 2.996 -0.035 1.00 34.41 H new ATOM 0 HB2 MET A 24 8.679 2.231 0.173 1.00 4.01 H new ATOM 0 HB3 MET A 24 8.280 1.404 1.665 1.00 4.01 H new ATOM 0 HG2 MET A 24 6.674 -0.054 0.421 1.00 23.15 H new ATOM 0 HG3 MET A 24 7.094 0.765 -1.071 1.00 23.15 H new ATOM 0 HE1 MET A 24 10.404 -0.229 -2.105 1.00 11.15 H new ATOM 0 HE2 MET A 24 9.550 1.238 -1.572 1.00 11.15 H new ATOM 0 HE3 MET A 24 10.870 0.570 -0.584 1.00 11.15 H new ATOM 385 N LEU A 25 4.345 2.132 1.230 1.00 52.14 N ATOM 386 CA LEU A 25 3.138 1.550 1.853 1.00 73.43 C ATOM 387 C LEU A 25 2.965 0.073 1.420 1.00 3.43 C ATOM 388 O LEU A 25 2.570 -0.192 0.285 1.00 73.34 O ATOM 389 CB LEU A 25 1.914 2.385 1.419 1.00 2.13 C ATOM 390 CG LEU A 25 2.005 3.917 1.703 1.00 43.11 C ATOM 391 CD1 LEU A 25 0.916 4.682 0.936 1.00 71.44 C ATOM 392 CD2 LEU A 25 1.938 4.215 3.219 1.00 15.15 C ATOM 0 H LEU A 25 4.154 2.611 0.350 1.00 52.14 H new ATOM 0 HA LEU A 25 3.235 1.571 2.938 1.00 73.43 H new ATOM 0 HB2 LEU A 25 1.760 2.241 0.350 1.00 2.13 H new ATOM 0 HB3 LEU A 25 1.032 1.992 1.924 1.00 2.13 H new ATOM 0 HG LEU A 25 2.974 4.265 1.345 1.00 43.11 H new ATOM 0 HD11 LEU A 25 1.000 5.747 1.150 1.00 71.44 H new ATOM 0 HD12 LEU A 25 1.040 4.516 -0.134 1.00 71.44 H new ATOM 0 HD13 LEU A 25 -0.066 4.326 1.247 1.00 71.44 H new ATOM 0 HD21 LEU A 25 2.004 5.291 3.382 1.00 15.15 H new ATOM 0 HD22 LEU A 25 0.995 3.844 3.621 1.00 15.15 H new ATOM 0 HD23 LEU A 25 2.768 3.720 3.724 1.00 15.15 H new ATOM 404 N ALA A 26 3.277 -0.872 2.319 1.00 71.02 N ATOM 405 CA ALA A 26 3.225 -2.322 2.017 1.00 21.11 C ATOM 406 C ALA A 26 1.815 -2.910 2.282 1.00 23.32 C ATOM 407 O ALA A 26 1.290 -2.772 3.388 1.00 52.13 O ATOM 408 CB ALA A 26 4.285 -3.056 2.860 1.00 34.42 C ATOM 0 H ALA A 26 3.572 -0.661 3.272 1.00 71.02 H new ATOM 0 HA ALA A 26 3.439 -2.463 0.958 1.00 21.11 H new ATOM 0 HB1 ALA A 26 4.250 -4.123 2.640 1.00 34.42 H new ATOM 0 HB2 ALA A 26 5.275 -2.668 2.618 1.00 34.42 H new ATOM 0 HB3 ALA A 26 4.082 -2.897 3.919 1.00 34.42 H new ATOM 414 N CYS A 27 1.221 -3.562 1.263 1.00 55.10 N ATOM 415 CA CYS A 27 -0.097 -4.241 1.375 1.00 33.12 C ATOM 416 C CYS A 27 -0.149 -5.507 0.489 1.00 64.14 C ATOM 417 O CYS A 27 -0.050 -5.424 -0.732 1.00 50.12 O ATOM 418 CB CYS A 27 -1.255 -3.290 0.988 1.00 11.41 C ATOM 419 SG CYS A 27 -2.894 -4.047 1.124 1.00 33.44 S ATOM 0 H CYS A 27 1.638 -3.636 0.335 1.00 55.10 H new ATOM 0 HA CYS A 27 -0.218 -4.534 2.418 1.00 33.12 H new ATOM 0 HB2 CYS A 27 -1.218 -2.408 1.627 1.00 11.41 H new ATOM 0 HB3 CYS A 27 -1.106 -2.948 -0.036 1.00 11.41 H new ATOM 0 HG CYS A 27 -3.804 -3.119 1.097 1.00 33.44 H new ATOM 425 N GLU A 28 -0.308 -6.679 1.116 1.00 21.31 N ATOM 426 CA GLU A 28 -0.426 -7.977 0.413 1.00 61.20 C ATOM 427 C GLU A 28 -1.894 -8.422 0.282 1.00 21.22 C ATOM 428 O GLU A 28 -2.697 -8.283 1.211 1.00 30.03 O ATOM 429 CB GLU A 28 0.391 -9.068 1.143 1.00 53.44 C ATOM 430 CG GLU A 28 1.911 -8.856 1.072 1.00 54.22 C ATOM 431 CD GLU A 28 2.707 -9.933 1.825 1.00 73.14 C ATOM 432 OE1 GLU A 28 2.528 -11.134 1.511 1.00 61.34 O ATOM 433 OE2 GLU A 28 3.514 -9.599 2.715 1.00 34.13 O ATOM 0 H GLU A 28 -0.360 -6.761 2.131 1.00 21.31 H new ATOM 0 HA GLU A 28 -0.024 -7.839 -0.591 1.00 61.20 H new ATOM 0 HB2 GLU A 28 0.086 -9.098 2.189 1.00 53.44 H new ATOM 0 HB3 GLU A 28 0.149 -10.040 0.712 1.00 53.44 H new ATOM 0 HG2 GLU A 28 2.222 -8.847 0.027 1.00 54.22 H new ATOM 0 HG3 GLU A 28 2.155 -7.877 1.485 1.00 54.22 H new ATOM 440 N VAL A 29 -2.212 -8.982 -0.886 1.00 73.45 N ATOM 441 CA VAL A 29 -3.557 -9.458 -1.239 1.00 25.33 C ATOM 442 C VAL A 29 -3.593 -11.000 -1.359 1.00 25.33 C ATOM 443 O VAL A 29 -2.558 -11.648 -1.567 1.00 43.52 O ATOM 444 CB VAL A 29 -4.025 -8.792 -2.587 1.00 73.44 C ATOM 445 CG1 VAL A 29 -4.207 -7.263 -2.414 1.00 11.35 C ATOM 446 CG2 VAL A 29 -3.043 -9.112 -3.751 1.00 71.24 C ATOM 0 H VAL A 29 -1.530 -9.122 -1.631 1.00 73.45 H new ATOM 0 HA VAL A 29 -4.241 -9.170 -0.441 1.00 25.33 H new ATOM 0 HB VAL A 29 -4.993 -9.220 -2.849 1.00 73.44 H new ATOM 0 HG11 VAL A 29 -4.530 -6.826 -3.359 1.00 11.35 H new ATOM 0 HG12 VAL A 29 -4.959 -7.070 -1.649 1.00 11.35 H new ATOM 0 HG13 VAL A 29 -3.260 -6.816 -2.113 1.00 11.35 H new ATOM 0 HG21 VAL A 29 -3.396 -8.637 -4.666 1.00 71.24 H new ATOM 0 HG22 VAL A 29 -2.051 -8.733 -3.505 1.00 71.24 H new ATOM 0 HG23 VAL A 29 -2.993 -10.191 -3.898 1.00 71.24 H new ATOM 456 N ASP A 30 -4.793 -11.574 -1.193 1.00 55.41 N ATOM 457 CA ASP A 30 -5.040 -13.020 -1.404 1.00 24.22 C ATOM 458 C ASP A 30 -5.035 -13.389 -2.913 1.00 54.42 C ATOM 459 O ASP A 30 -4.584 -14.472 -3.298 1.00 34.32 O ATOM 460 CB ASP A 30 -6.391 -13.399 -0.744 1.00 50.51 C ATOM 461 CG ASP A 30 -6.820 -14.852 -1.006 1.00 71.35 C ATOM 462 OD1 ASP A 30 -6.216 -15.774 -0.409 1.00 12.51 O ATOM 463 OD2 ASP A 30 -7.766 -15.084 -1.800 1.00 23.24 O ATOM 0 H ASP A 30 -5.624 -11.055 -0.909 1.00 55.41 H new ATOM 0 HA ASP A 30 -4.233 -13.588 -0.940 1.00 24.22 H new ATOM 0 HB2 ASP A 30 -6.317 -13.239 0.332 1.00 50.51 H new ATOM 0 HB3 ASP A 30 -7.167 -12.728 -1.113 1.00 50.51 H new ATOM 468 N ARG A 31 -5.513 -12.465 -3.757 1.00 45.31 N ATOM 469 CA ARG A 31 -5.734 -12.722 -5.198 1.00 4.25 C ATOM 470 C ARG A 31 -4.979 -11.670 -6.045 1.00 75.11 C ATOM 471 O ARG A 31 -5.270 -10.472 -5.970 1.00 5.51 O ATOM 472 CB ARG A 31 -7.270 -12.722 -5.493 1.00 1.32 C ATOM 473 CG ARG A 31 -7.713 -13.499 -6.755 1.00 51.24 C ATOM 474 CD ARG A 31 -7.212 -14.968 -6.757 1.00 22.32 C ATOM 475 NE ARG A 31 -7.303 -15.620 -5.424 1.00 1.32 N ATOM 476 CZ ARG A 31 -6.484 -16.558 -4.974 1.00 44.22 C ATOM 477 NH1 ARG A 31 -5.598 -17.108 -5.744 1.00 2.20 N ATOM 478 NH2 ARG A 31 -6.575 -16.954 -3.751 1.00 74.13 N ATOM 0 H ARG A 31 -5.759 -11.518 -3.467 1.00 45.31 H new ATOM 0 HA ARG A 31 -5.339 -13.701 -5.470 1.00 4.25 H new ATOM 0 HB2 ARG A 31 -7.787 -13.143 -4.630 1.00 1.32 H new ATOM 0 HB3 ARG A 31 -7.602 -11.688 -5.590 1.00 1.32 H new ATOM 0 HG2 ARG A 31 -8.801 -13.490 -6.820 1.00 51.24 H new ATOM 0 HG3 ARG A 31 -7.337 -12.989 -7.642 1.00 51.24 H new ATOM 0 HD2 ARG A 31 -7.795 -15.543 -7.476 1.00 22.32 H new ATOM 0 HD3 ARG A 31 -6.176 -14.991 -7.096 1.00 22.32 H new ATOM 0 HE ARG A 31 -8.057 -15.321 -4.806 1.00 1.32 H new ATOM 0 HH11 ARG A 31 -5.521 -16.820 -6.719 1.00 2.20 H new ATOM 0 HH12 ARG A 31 -4.978 -17.829 -5.374 1.00 2.20 H new ATOM 0 HH21 ARG A 31 -7.276 -16.545 -3.133 1.00 74.13 H new ATOM 0 HH22 ARG A 31 -5.946 -17.676 -3.401 1.00 74.13 H new ATOM 492 N GLU A 32 -4.001 -12.140 -6.844 1.00 44.33 N ATOM 493 CA GLU A 32 -3.087 -11.275 -7.633 1.00 53.42 C ATOM 494 C GLU A 32 -3.840 -10.611 -8.809 1.00 53.21 C ATOM 495 O GLU A 32 -3.639 -9.426 -9.105 1.00 52.25 O ATOM 496 CB GLU A 32 -1.868 -12.088 -8.181 1.00 11.40 C ATOM 497 CG GLU A 32 -1.007 -12.831 -7.124 1.00 64.24 C ATOM 498 CD GLU A 32 -1.696 -14.061 -6.499 1.00 25.25 C ATOM 499 OE1 GLU A 32 -1.990 -15.019 -7.243 1.00 71.25 O ATOM 500 OE2 GLU A 32 -1.992 -14.059 -5.289 1.00 65.13 O ATOM 0 H GLU A 32 -3.818 -13.136 -6.964 1.00 44.33 H new ATOM 0 HA GLU A 32 -2.714 -10.499 -6.964 1.00 53.42 H new ATOM 0 HB2 GLU A 32 -2.240 -12.821 -8.897 1.00 11.40 H new ATOM 0 HB3 GLU A 32 -1.221 -11.405 -8.731 1.00 11.40 H new ATOM 0 HG2 GLU A 32 -0.074 -13.149 -7.590 1.00 64.24 H new ATOM 0 HG3 GLU A 32 -0.745 -12.133 -6.329 1.00 64.24 H new ATOM 507 N ASP A 33 -4.724 -11.392 -9.465 1.00 65.35 N ATOM 508 CA ASP A 33 -5.546 -10.928 -10.609 1.00 70.23 C ATOM 509 C ASP A 33 -6.542 -9.799 -10.199 1.00 73.12 C ATOM 510 O ASP A 33 -7.001 -9.027 -11.051 1.00 21.42 O ATOM 511 CB ASP A 33 -6.293 -12.141 -11.230 1.00 14.23 C ATOM 512 CG ASP A 33 -7.037 -11.797 -12.536 1.00 32.12 C ATOM 513 OD1 ASP A 33 -6.368 -11.634 -13.580 1.00 62.31 O ATOM 514 OD2 ASP A 33 -8.284 -11.680 -12.528 1.00 24.41 O ATOM 0 H ASP A 33 -4.890 -12.367 -9.217 1.00 65.35 H new ATOM 0 HA ASP A 33 -4.882 -10.493 -11.355 1.00 70.23 H new ATOM 0 HB2 ASP A 33 -5.576 -12.938 -11.428 1.00 14.23 H new ATOM 0 HB3 ASP A 33 -7.008 -12.529 -10.504 1.00 14.23 H new ATOM 519 N ALA A 34 -6.846 -9.703 -8.886 1.00 64.20 N ATOM 520 CA ALA A 34 -7.704 -8.635 -8.332 1.00 23.44 C ATOM 521 C ALA A 34 -6.988 -7.252 -8.406 1.00 75.15 C ATOM 522 O ALA A 34 -5.970 -7.051 -7.730 1.00 12.31 O ATOM 523 CB ALA A 34 -8.097 -8.979 -6.886 1.00 20.12 C ATOM 0 H ALA A 34 -6.505 -10.360 -8.185 1.00 64.20 H new ATOM 0 HA ALA A 34 -8.612 -8.566 -8.932 1.00 23.44 H new ATOM 0 HB1 ALA A 34 -8.729 -8.188 -6.483 1.00 20.12 H new ATOM 0 HB2 ALA A 34 -8.643 -9.923 -6.872 1.00 20.12 H new ATOM 0 HB3 ALA A 34 -7.198 -9.071 -6.277 1.00 20.12 H new ATOM 529 N PRO A 35 -7.492 -6.289 -9.249 1.00 4.14 N ATOM 530 CA PRO A 35 -6.829 -4.971 -9.442 1.00 73.34 C ATOM 531 C PRO A 35 -6.994 -4.029 -8.213 1.00 44.13 C ATOM 532 O PRO A 35 -8.094 -3.559 -7.915 1.00 41.02 O ATOM 533 CB PRO A 35 -7.532 -4.414 -10.709 1.00 32.52 C ATOM 534 CG PRO A 35 -8.901 -5.026 -10.683 1.00 0.34 C ATOM 535 CD PRO A 35 -8.734 -6.404 -10.072 1.00 54.41 C ATOM 0 HA PRO A 35 -5.748 -5.055 -9.553 1.00 73.34 H new ATOM 0 HB2 PRO A 35 -7.584 -3.325 -10.687 1.00 32.52 H new ATOM 0 HB3 PRO A 35 -6.992 -4.689 -11.615 1.00 32.52 H new ATOM 0 HG2 PRO A 35 -9.588 -4.419 -10.094 1.00 0.34 H new ATOM 0 HG3 PRO A 35 -9.317 -5.093 -11.688 1.00 0.34 H new ATOM 0 HD2 PRO A 35 -9.594 -6.676 -9.460 1.00 54.41 H new ATOM 0 HD3 PRO A 35 -8.634 -7.171 -10.840 1.00 54.41 H new ATOM 543 N VAL A 36 -5.886 -3.780 -7.494 1.00 43.10 N ATOM 544 CA VAL A 36 -5.881 -2.914 -6.291 1.00 10.32 C ATOM 545 C VAL A 36 -6.014 -1.417 -6.656 1.00 1.20 C ATOM 546 O VAL A 36 -5.606 -0.988 -7.741 1.00 24.40 O ATOM 547 CB VAL A 36 -4.596 -3.147 -5.413 1.00 22.01 C ATOM 548 CG1 VAL A 36 -4.516 -4.626 -4.967 1.00 2.35 C ATOM 549 CG2 VAL A 36 -3.300 -2.710 -6.155 1.00 72.55 C ATOM 0 H VAL A 36 -4.971 -4.168 -7.724 1.00 43.10 H new ATOM 0 HA VAL A 36 -6.754 -3.197 -5.703 1.00 10.32 H new ATOM 0 HB VAL A 36 -4.677 -2.520 -4.525 1.00 22.01 H new ATOM 0 HG11 VAL A 36 -3.623 -4.775 -4.360 1.00 2.35 H new ATOM 0 HG12 VAL A 36 -5.400 -4.877 -4.380 1.00 2.35 H new ATOM 0 HG13 VAL A 36 -4.469 -5.269 -5.846 1.00 2.35 H new ATOM 0 HG21 VAL A 36 -2.436 -2.888 -5.514 1.00 72.55 H new ATOM 0 HG22 VAL A 36 -3.195 -3.287 -7.074 1.00 72.55 H new ATOM 0 HG23 VAL A 36 -3.360 -1.649 -6.398 1.00 72.55 H new ATOM 559 N ARG A 37 -6.603 -0.637 -5.736 1.00 34.31 N ATOM 560 CA ARG A 37 -6.808 0.819 -5.895 1.00 31.43 C ATOM 561 C ARG A 37 -6.368 1.557 -4.619 1.00 22.02 C ATOM 562 O ARG A 37 -6.978 1.398 -3.563 1.00 24.14 O ATOM 563 CB ARG A 37 -8.302 1.139 -6.211 1.00 52.25 C ATOM 564 CG ARG A 37 -8.779 0.733 -7.641 1.00 52.14 C ATOM 565 CD ARG A 37 -10.074 -0.103 -7.645 1.00 51.25 C ATOM 566 NE ARG A 37 -9.863 -1.435 -7.048 1.00 45.21 N ATOM 567 CZ ARG A 37 -10.804 -2.305 -6.767 1.00 74.25 C ATOM 568 NH1 ARG A 37 -12.060 -1.998 -6.844 1.00 51.04 N ATOM 569 NH2 ARG A 37 -10.475 -3.491 -6.391 1.00 0.33 N ATOM 0 H ARG A 37 -6.955 -0.999 -4.850 1.00 34.31 H new ATOM 0 HA ARG A 37 -6.200 1.161 -6.733 1.00 31.43 H new ATOM 0 HB2 ARG A 37 -8.929 0.631 -5.478 1.00 52.25 H new ATOM 0 HB3 ARG A 37 -8.463 2.209 -6.081 1.00 52.25 H new ATOM 0 HG2 ARG A 37 -8.937 1.635 -8.232 1.00 52.14 H new ATOM 0 HG3 ARG A 37 -7.988 0.165 -8.131 1.00 52.14 H new ATOM 0 HD2 ARG A 37 -10.850 0.425 -7.092 1.00 51.25 H new ATOM 0 HD3 ARG A 37 -10.432 -0.215 -8.668 1.00 51.25 H new ATOM 0 HE ARG A 37 -8.902 -1.703 -6.835 1.00 45.21 H new ATOM 0 HH11 ARG A 37 -12.339 -1.059 -7.129 1.00 51.04 H new ATOM 0 HH12 ARG A 37 -12.770 -2.695 -6.620 1.00 51.04 H new ATOM 0 HH21 ARG A 37 -9.491 -3.747 -6.314 1.00 0.33 H new ATOM 0 HH22 ARG A 37 -11.199 -4.175 -6.170 1.00 0.33 H new ATOM 583 N TRP A 38 -5.306 2.351 -4.731 1.00 44.45 N ATOM 584 CA TRP A 38 -4.810 3.212 -3.650 1.00 13.43 C ATOM 585 C TRP A 38 -5.552 4.570 -3.690 1.00 45.22 C ATOM 586 O TRP A 38 -5.925 5.045 -4.768 1.00 51.05 O ATOM 587 CB TRP A 38 -3.284 3.418 -3.811 1.00 44.32 C ATOM 588 CG TRP A 38 -2.476 2.144 -3.703 1.00 20.14 C ATOM 589 CD1 TRP A 38 -2.184 1.255 -4.703 1.00 43.12 C ATOM 590 CD2 TRP A 38 -1.868 1.624 -2.517 1.00 13.24 C ATOM 591 NE1 TRP A 38 -1.429 0.223 -4.208 1.00 42.45 N ATOM 592 CE2 TRP A 38 -1.227 0.422 -2.864 1.00 61.44 C ATOM 593 CE3 TRP A 38 -1.810 2.065 -1.195 1.00 22.13 C ATOM 594 CZ2 TRP A 38 -0.529 -0.343 -1.935 1.00 55.02 C ATOM 595 CZ3 TRP A 38 -1.122 1.308 -0.275 1.00 0.35 C ATOM 596 CH2 TRP A 38 -0.492 0.110 -0.645 1.00 54.44 C ATOM 0 H TRP A 38 -4.755 2.418 -5.586 1.00 44.45 H new ATOM 0 HA TRP A 38 -4.998 2.740 -2.686 1.00 13.43 H new ATOM 0 HB2 TRP A 38 -3.090 3.878 -4.780 1.00 44.32 H new ATOM 0 HB3 TRP A 38 -2.940 4.120 -3.051 1.00 44.32 H new ATOM 0 HD1 TRP A 38 -2.502 1.352 -5.731 1.00 43.12 H new ATOM 0 HE1 TRP A 38 -1.075 -0.565 -4.750 1.00 42.45 H new ATOM 0 HE3 TRP A 38 -2.296 2.983 -0.899 1.00 22.13 H new ATOM 0 HZ2 TRP A 38 -0.035 -1.260 -2.222 1.00 55.02 H new ATOM 0 HZ3 TRP A 38 -1.066 1.642 0.751 1.00 0.35 H new ATOM 0 HH2 TRP A 38 0.032 -0.466 0.103 1.00 54.44 H new ATOM 607 N TYR A 39 -5.809 5.169 -2.514 1.00 41.44 N ATOM 608 CA TYR A 39 -6.501 6.479 -2.406 1.00 22.35 C ATOM 609 C TYR A 39 -5.688 7.452 -1.539 1.00 43.11 C ATOM 610 O TYR A 39 -5.329 7.132 -0.416 1.00 11.40 O ATOM 611 CB TYR A 39 -7.935 6.294 -1.824 1.00 33.54 C ATOM 612 CG TYR A 39 -8.859 5.505 -2.756 1.00 0.55 C ATOM 613 CD1 TYR A 39 -8.899 4.108 -2.731 1.00 21.32 C ATOM 614 CD2 TYR A 39 -9.649 6.156 -3.705 1.00 62.21 C ATOM 615 CE1 TYR A 39 -9.685 3.401 -3.616 1.00 62.00 C ATOM 616 CE2 TYR A 39 -10.445 5.447 -4.581 1.00 62.54 C ATOM 617 CZ TYR A 39 -10.454 4.074 -4.539 1.00 63.23 C ATOM 618 OH TYR A 39 -11.220 3.367 -5.439 1.00 73.33 O ATOM 0 H TYR A 39 -5.548 4.767 -1.614 1.00 41.44 H new ATOM 0 HA TYR A 39 -6.588 6.903 -3.406 1.00 22.35 H new ATOM 0 HB2 TYR A 39 -7.869 5.780 -0.865 1.00 33.54 H new ATOM 0 HB3 TYR A 39 -8.372 7.274 -1.631 1.00 33.54 H new ATOM 0 HD1 TYR A 39 -8.304 3.573 -2.006 1.00 21.32 H new ATOM 0 HD2 TYR A 39 -9.637 7.235 -3.754 1.00 62.21 H new ATOM 0 HE1 TYR A 39 -9.698 2.322 -3.585 1.00 62.00 H new ATOM 0 HE2 TYR A 39 -11.060 5.970 -5.298 1.00 62.54 H new ATOM 0 HH TYR A 39 -10.896 3.536 -6.348 1.00 73.33 H new ATOM 628 N LYS A 40 -5.417 8.646 -2.079 1.00 21.12 N ATOM 629 CA LYS A 40 -4.708 9.726 -1.375 1.00 2.35 C ATOM 630 C LYS A 40 -5.754 10.665 -0.718 1.00 43.42 C ATOM 631 O LYS A 40 -6.371 11.482 -1.412 1.00 30.44 O ATOM 632 CB LYS A 40 -3.788 10.484 -2.393 1.00 5.14 C ATOM 633 CG LYS A 40 -2.601 11.273 -1.785 1.00 3.23 C ATOM 634 CD LYS A 40 -2.999 12.538 -0.990 1.00 11.10 C ATOM 635 CE LYS A 40 -1.778 13.287 -0.467 1.00 11.43 C ATOM 636 NZ LYS A 40 -0.836 13.667 -1.559 1.00 0.31 N ATOM 0 H LYS A 40 -5.687 8.895 -3.031 1.00 21.12 H new ATOM 0 HA LYS A 40 -4.070 9.329 -0.586 1.00 2.35 H new ATOM 0 HB2 LYS A 40 -3.390 9.758 -3.102 1.00 5.14 H new ATOM 0 HB3 LYS A 40 -4.406 11.179 -2.962 1.00 5.14 H new ATOM 0 HG2 LYS A 40 -2.042 10.609 -1.126 1.00 3.23 H new ATOM 0 HG3 LYS A 40 -1.927 11.565 -2.590 1.00 3.23 H new ATOM 0 HD2 LYS A 40 -3.585 13.199 -1.629 1.00 11.10 H new ATOM 0 HD3 LYS A 40 -3.638 12.255 -0.153 1.00 11.10 H new ATOM 0 HE2 LYS A 40 -2.103 14.185 0.058 1.00 11.43 H new ATOM 0 HE3 LYS A 40 -1.256 12.664 0.259 1.00 11.43 H new ATOM 0 HZ1 LYS A 40 -0.165 14.379 -1.207 1.00 0.31 H new ATOM 0 HZ2 LYS A 40 -0.313 12.825 -1.875 1.00 0.31 H new ATOM 0 HZ3 LYS A 40 -1.372 14.062 -2.358 1.00 0.31 H new ATOM 650 N ASP A 41 -5.952 10.502 0.609 1.00 4.12 N ATOM 651 CA ASP A 41 -6.899 11.292 1.439 1.00 23.23 C ATOM 652 C ASP A 41 -8.388 11.031 1.052 1.00 42.42 C ATOM 653 O ASP A 41 -9.129 10.385 1.804 1.00 62.12 O ATOM 654 CB ASP A 41 -6.552 12.807 1.408 1.00 30.25 C ATOM 655 CG ASP A 41 -7.518 13.669 2.250 1.00 42.34 C ATOM 656 OD1 ASP A 41 -7.386 13.687 3.486 1.00 14.24 O ATOM 657 OD2 ASP A 41 -8.420 14.326 1.680 1.00 11.14 O ATOM 0 H ASP A 41 -5.446 9.800 1.150 1.00 4.12 H new ATOM 0 HA ASP A 41 -6.782 10.949 2.467 1.00 23.23 H new ATOM 0 HB2 ASP A 41 -5.535 12.948 1.775 1.00 30.25 H new ATOM 0 HB3 ASP A 41 -6.569 13.156 0.376 1.00 30.25 H new ATOM 662 N GLY A 42 -8.813 11.548 -0.116 1.00 72.35 N ATOM 663 CA GLY A 42 -10.188 11.361 -0.619 1.00 74.35 C ATOM 664 C GLY A 42 -10.266 11.268 -2.149 1.00 32.54 C ATOM 665 O GLY A 42 -11.364 11.227 -2.714 1.00 74.04 O ATOM 0 H GLY A 42 -8.219 12.102 -0.733 1.00 72.35 H new ATOM 0 HA2 GLY A 42 -10.606 10.453 -0.185 1.00 74.35 H new ATOM 0 HA3 GLY A 42 -10.808 12.191 -0.280 1.00 74.35 H new ATOM 669 N GLN A 43 -9.097 11.225 -2.818 1.00 61.44 N ATOM 670 CA GLN A 43 -8.987 11.084 -4.297 1.00 2.11 C ATOM 671 C GLN A 43 -8.238 9.777 -4.647 1.00 53.52 C ATOM 672 O GLN A 43 -7.423 9.313 -3.857 1.00 13.31 O ATOM 673 CB GLN A 43 -8.228 12.305 -4.890 1.00 35.54 C ATOM 674 CG GLN A 43 -8.195 12.363 -6.437 1.00 35.14 C ATOM 675 CD GLN A 43 -7.247 13.436 -6.985 1.00 34.23 C ATOM 676 OE1 GLN A 43 -7.626 14.588 -7.182 1.00 41.10 O ATOM 677 NE2 GLN A 43 -6.004 13.061 -7.239 1.00 13.00 N ATOM 0 H GLN A 43 -8.192 11.287 -2.351 1.00 61.44 H new ATOM 0 HA GLN A 43 -9.988 11.045 -4.726 1.00 2.11 H new ATOM 0 HB2 GLN A 43 -8.691 13.218 -4.516 1.00 35.54 H new ATOM 0 HB3 GLN A 43 -7.203 12.292 -4.519 1.00 35.54 H new ATOM 0 HG2 GLN A 43 -7.893 11.390 -6.823 1.00 35.14 H new ATOM 0 HG3 GLN A 43 -9.202 12.554 -6.808 1.00 35.14 H new ATOM 0 HE21 GLN A 43 -5.716 12.098 -7.066 1.00 13.00 H new ATOM 0 HE22 GLN A 43 -5.333 13.735 -7.608 1.00 13.00 H new ATOM 686 N GLU A 44 -8.515 9.189 -5.828 1.00 32.12 N ATOM 687 CA GLU A 44 -7.854 7.939 -6.274 1.00 74.02 C ATOM 688 C GLU A 44 -6.423 8.198 -6.820 1.00 31.14 C ATOM 689 O GLU A 44 -6.122 9.276 -7.352 1.00 63.44 O ATOM 690 CB GLU A 44 -8.742 7.217 -7.329 1.00 23.22 C ATOM 691 CG GLU A 44 -8.266 5.797 -7.731 1.00 10.14 C ATOM 692 CD GLU A 44 -9.256 5.045 -8.647 1.00 32.03 C ATOM 693 OE1 GLU A 44 -9.387 5.415 -9.832 1.00 74.30 O ATOM 694 OE2 GLU A 44 -9.903 4.077 -8.186 1.00 12.33 O ATOM 0 H GLU A 44 -9.193 9.558 -6.494 1.00 32.12 H new ATOM 0 HA GLU A 44 -7.741 7.289 -5.406 1.00 74.02 H new ATOM 0 HB2 GLU A 44 -9.757 7.146 -6.938 1.00 23.22 H new ATOM 0 HB3 GLU A 44 -8.788 7.835 -8.226 1.00 23.22 H new ATOM 0 HG2 GLU A 44 -7.304 5.876 -8.238 1.00 10.14 H new ATOM 0 HG3 GLU A 44 -8.103 5.209 -6.828 1.00 10.14 H new ATOM 701 N VAL A 45 -5.551 7.193 -6.662 1.00 70.33 N ATOM 702 CA VAL A 45 -4.129 7.247 -7.059 1.00 30.33 C ATOM 703 C VAL A 45 -3.870 6.479 -8.383 1.00 73.14 C ATOM 704 O VAL A 45 -4.461 5.425 -8.635 1.00 14.03 O ATOM 705 CB VAL A 45 -3.228 6.646 -5.911 1.00 54.32 C ATOM 706 CG1 VAL A 45 -1.754 6.470 -6.331 1.00 21.21 C ATOM 707 CG2 VAL A 45 -3.323 7.492 -4.620 1.00 52.04 C ATOM 0 H VAL A 45 -5.815 6.300 -6.247 1.00 70.33 H new ATOM 0 HA VAL A 45 -3.871 8.293 -7.223 1.00 30.33 H new ATOM 0 HB VAL A 45 -3.623 5.650 -5.709 1.00 54.32 H new ATOM 0 HG11 VAL A 45 -1.186 6.053 -5.499 1.00 21.21 H new ATOM 0 HG12 VAL A 45 -1.697 5.794 -7.184 1.00 21.21 H new ATOM 0 HG13 VAL A 45 -1.336 7.438 -6.607 1.00 21.21 H new ATOM 0 HG21 VAL A 45 -2.691 7.051 -3.849 1.00 52.04 H new ATOM 0 HG22 VAL A 45 -2.989 8.509 -4.826 1.00 52.04 H new ATOM 0 HG23 VAL A 45 -4.356 7.513 -4.274 1.00 52.04 H new ATOM 717 N GLU A 46 -2.984 7.049 -9.219 1.00 62.44 N ATOM 718 CA GLU A 46 -2.375 6.367 -10.385 1.00 25.02 C ATOM 719 C GLU A 46 -0.842 6.665 -10.394 1.00 1.54 C ATOM 720 O GLU A 46 -0.346 7.411 -9.535 1.00 2.14 O ATOM 721 CB GLU A 46 -3.067 6.846 -11.709 1.00 41.34 C ATOM 722 CG GLU A 46 -2.751 5.990 -12.956 1.00 14.33 C ATOM 723 CD GLU A 46 -3.386 6.519 -14.256 1.00 55.41 C ATOM 724 OE1 GLU A 46 -4.550 6.173 -14.549 1.00 5.23 O ATOM 725 OE2 GLU A 46 -2.727 7.285 -14.989 1.00 61.44 O ATOM 0 H GLU A 46 -2.663 8.011 -9.106 1.00 62.44 H new ATOM 0 HA GLU A 46 -2.521 5.289 -10.314 1.00 25.02 H new ATOM 0 HB2 GLU A 46 -4.146 6.853 -11.555 1.00 41.34 H new ATOM 0 HB3 GLU A 46 -2.766 7.875 -11.907 1.00 41.34 H new ATOM 0 HG2 GLU A 46 -1.670 5.941 -13.086 1.00 14.33 H new ATOM 0 HG3 GLU A 46 -3.098 4.971 -12.782 1.00 14.33 H new ATOM 732 N GLU A 47 -0.090 6.066 -11.336 1.00 34.52 N ATOM 733 CA GLU A 47 1.326 6.402 -11.572 1.00 43.14 C ATOM 734 C GLU A 47 1.417 7.767 -12.308 1.00 13.12 C ATOM 735 O GLU A 47 1.694 7.836 -13.513 1.00 43.52 O ATOM 736 CB GLU A 47 2.054 5.267 -12.367 1.00 11.04 C ATOM 737 CG GLU A 47 2.059 3.863 -11.691 1.00 21.35 C ATOM 738 CD GLU A 47 0.876 2.927 -12.061 1.00 42.42 C ATOM 739 OE1 GLU A 47 -0.245 3.398 -12.322 1.00 13.13 O ATOM 740 OE2 GLU A 47 1.071 1.697 -12.092 1.00 71.10 O ATOM 0 H GLU A 47 -0.446 5.337 -11.954 1.00 34.52 H new ATOM 0 HA GLU A 47 1.836 6.489 -10.613 1.00 43.14 H new ATOM 0 HB2 GLU A 47 1.584 5.176 -13.346 1.00 11.04 H new ATOM 0 HB3 GLU A 47 3.087 5.572 -12.536 1.00 11.04 H new ATOM 0 HG2 GLU A 47 2.990 3.360 -11.951 1.00 21.35 H new ATOM 0 HG3 GLU A 47 2.063 4.002 -10.610 1.00 21.35 H new ATOM 747 N SER A 48 1.126 8.845 -11.554 1.00 5.05 N ATOM 748 CA SER A 48 0.980 10.214 -12.093 1.00 13.53 C ATOM 749 C SER A 48 2.323 10.775 -12.606 1.00 3.32 C ATOM 750 O SER A 48 2.404 11.277 -13.734 1.00 53.03 O ATOM 751 CB SER A 48 0.386 11.149 -11.011 1.00 4.43 C ATOM 752 OG SER A 48 -0.834 10.637 -10.497 1.00 33.52 O ATOM 0 H SER A 48 0.984 8.791 -10.545 1.00 5.05 H new ATOM 0 HA SER A 48 0.299 10.166 -12.943 1.00 13.53 H new ATOM 0 HB2 SER A 48 1.103 11.269 -10.199 1.00 4.43 H new ATOM 0 HB3 SER A 48 0.217 12.138 -11.436 1.00 4.43 H new ATOM 0 HG SER A 48 -1.184 11.248 -9.815 1.00 33.52 H new ATOM 758 N ASP A 49 3.361 10.652 -11.757 1.00 50.12 N ATOM 759 CA ASP A 49 4.738 11.120 -12.030 1.00 12.13 C ATOM 760 C ASP A 49 5.640 10.763 -10.822 1.00 72.10 C ATOM 761 O ASP A 49 6.482 9.864 -10.898 1.00 70.42 O ATOM 762 CB ASP A 49 4.780 12.656 -12.306 1.00 32.34 C ATOM 763 CG ASP A 49 6.196 13.167 -12.629 1.00 51.13 C ATOM 764 OD1 ASP A 49 6.680 12.926 -13.757 1.00 74.01 O ATOM 765 OD2 ASP A 49 6.831 13.800 -11.762 1.00 65.01 O ATOM 0 H ASP A 49 3.266 10.215 -10.840 1.00 50.12 H new ATOM 0 HA ASP A 49 5.104 10.622 -12.928 1.00 12.13 H new ATOM 0 HB2 ASP A 49 4.116 12.889 -13.139 1.00 32.34 H new ATOM 0 HB3 ASP A 49 4.397 13.187 -11.435 1.00 32.34 H new ATOM 770 N PHE A 50 5.424 11.477 -9.698 1.00 23.44 N ATOM 771 CA PHE A 50 6.140 11.229 -8.427 1.00 44.41 C ATOM 772 C PHE A 50 5.653 9.916 -7.780 1.00 13.02 C ATOM 773 O PHE A 50 6.448 9.135 -7.254 1.00 53.14 O ATOM 774 CB PHE A 50 5.941 12.422 -7.452 1.00 3.53 C ATOM 775 CG PHE A 50 6.448 13.756 -8.001 1.00 53.23 C ATOM 776 CD1 PHE A 50 7.807 14.070 -7.954 1.00 30.10 C ATOM 777 CD2 PHE A 50 5.574 14.688 -8.563 1.00 12.25 C ATOM 778 CE1 PHE A 50 8.275 15.273 -8.449 1.00 3.12 C ATOM 779 CE2 PHE A 50 6.044 15.892 -9.058 1.00 40.14 C ATOM 780 CZ PHE A 50 7.394 16.184 -9.001 1.00 22.23 C ATOM 0 H PHE A 50 4.750 12.241 -9.645 1.00 23.44 H new ATOM 0 HA PHE A 50 7.204 11.132 -8.643 1.00 44.41 H new ATOM 0 HB2 PHE A 50 4.881 12.515 -7.218 1.00 3.53 H new ATOM 0 HB3 PHE A 50 6.456 12.205 -6.516 1.00 3.53 H new ATOM 0 HD1 PHE A 50 8.502 13.364 -7.525 1.00 30.10 H new ATOM 0 HD2 PHE A 50 4.518 14.467 -8.612 1.00 12.25 H new ATOM 0 HE1 PHE A 50 9.330 15.501 -8.404 1.00 3.12 H new ATOM 0 HE2 PHE A 50 5.356 16.604 -9.489 1.00 40.14 H new ATOM 0 HZ PHE A 50 7.760 17.124 -9.388 1.00 22.23 H new ATOM 790 N VAL A 51 4.334 9.687 -7.843 1.00 63.54 N ATOM 791 CA VAL A 51 3.708 8.471 -7.296 1.00 60.32 C ATOM 792 C VAL A 51 3.953 7.272 -8.240 1.00 31.41 C ATOM 793 O VAL A 51 3.605 7.342 -9.425 1.00 13.11 O ATOM 794 CB VAL A 51 2.157 8.649 -7.094 1.00 64.31 C ATOM 795 CG1 VAL A 51 1.597 7.500 -6.226 1.00 4.22 C ATOM 796 CG2 VAL A 51 1.812 10.037 -6.501 1.00 33.31 C ATOM 0 H VAL A 51 3.672 10.334 -8.272 1.00 63.54 H new ATOM 0 HA VAL A 51 4.165 8.286 -6.324 1.00 60.32 H new ATOM 0 HB VAL A 51 1.678 8.601 -8.072 1.00 64.31 H new ATOM 0 HG11 VAL A 51 0.523 7.634 -6.093 1.00 4.22 H new ATOM 0 HG12 VAL A 51 1.785 6.546 -6.719 1.00 4.22 H new ATOM 0 HG13 VAL A 51 2.087 7.508 -5.252 1.00 4.22 H new ATOM 0 HG21 VAL A 51 0.732 10.121 -6.377 1.00 33.31 H new ATOM 0 HG22 VAL A 51 2.299 10.150 -5.532 1.00 33.31 H new ATOM 0 HG23 VAL A 51 2.161 10.818 -7.176 1.00 33.31 H new ATOM 806 N VAL A 52 4.567 6.194 -7.724 1.00 25.52 N ATOM 807 CA VAL A 52 4.794 4.947 -8.494 1.00 14.02 C ATOM 808 C VAL A 52 4.193 3.726 -7.749 1.00 13.44 C ATOM 809 O VAL A 52 4.378 3.563 -6.536 1.00 3.41 O ATOM 810 CB VAL A 52 6.327 4.725 -8.821 1.00 51.41 C ATOM 811 CG1 VAL A 52 6.871 5.850 -9.738 1.00 24.03 C ATOM 812 CG2 VAL A 52 7.188 4.600 -7.540 1.00 23.33 C ATOM 0 H VAL A 52 4.920 6.156 -6.768 1.00 25.52 H new ATOM 0 HA VAL A 52 4.279 5.051 -9.449 1.00 14.02 H new ATOM 0 HB VAL A 52 6.401 3.777 -9.355 1.00 51.41 H new ATOM 0 HG11 VAL A 52 7.926 5.672 -9.946 1.00 24.03 H new ATOM 0 HG12 VAL A 52 6.313 5.858 -10.674 1.00 24.03 H new ATOM 0 HG13 VAL A 52 6.757 6.813 -9.240 1.00 24.03 H new ATOM 0 HG21 VAL A 52 8.232 4.449 -7.816 1.00 23.33 H new ATOM 0 HG22 VAL A 52 7.097 5.512 -6.950 1.00 23.33 H new ATOM 0 HG23 VAL A 52 6.842 3.751 -6.951 1.00 23.33 H new ATOM 822 N LEU A 53 3.435 2.891 -8.485 1.00 71.01 N ATOM 823 CA LEU A 53 2.740 1.708 -7.930 1.00 1.11 C ATOM 824 C LEU A 53 3.467 0.414 -8.371 1.00 52.23 C ATOM 825 O LEU A 53 3.463 0.060 -9.558 1.00 32.51 O ATOM 826 CB LEU A 53 1.255 1.692 -8.396 1.00 23.32 C ATOM 827 CG LEU A 53 0.430 2.983 -8.073 1.00 10.34 C ATOM 828 CD1 LEU A 53 -0.999 2.905 -8.653 1.00 13.22 C ATOM 829 CD2 LEU A 53 0.411 3.266 -6.553 1.00 63.30 C ATOM 0 H LEU A 53 3.285 3.016 -9.486 1.00 71.01 H new ATOM 0 HA LEU A 53 2.757 1.761 -6.841 1.00 1.11 H new ATOM 0 HB2 LEU A 53 1.233 1.529 -9.473 1.00 23.32 H new ATOM 0 HB3 LEU A 53 0.757 0.839 -7.934 1.00 23.32 H new ATOM 0 HG LEU A 53 0.928 3.822 -8.559 1.00 10.34 H new ATOM 0 HD11 LEU A 53 -1.541 3.818 -8.409 1.00 13.22 H new ATOM 0 HD12 LEU A 53 -0.947 2.793 -9.736 1.00 13.22 H new ATOM 0 HD13 LEU A 53 -1.519 2.049 -8.224 1.00 13.22 H new ATOM 0 HD21 LEU A 53 -0.169 4.168 -6.358 1.00 63.30 H new ATOM 0 HD22 LEU A 53 -0.043 2.423 -6.032 1.00 63.30 H new ATOM 0 HD23 LEU A 53 1.431 3.406 -6.196 1.00 63.30 H new ATOM 841 N GLU A 54 4.101 -0.279 -7.408 1.00 12.43 N ATOM 842 CA GLU A 54 4.927 -1.476 -7.680 1.00 53.24 C ATOM 843 C GLU A 54 4.134 -2.781 -7.432 1.00 74.24 C ATOM 844 O GLU A 54 3.705 -3.059 -6.305 1.00 64.21 O ATOM 845 CB GLU A 54 6.200 -1.439 -6.792 1.00 1.13 C ATOM 846 CG GLU A 54 7.038 -0.149 -6.917 1.00 43.34 C ATOM 847 CD GLU A 54 7.472 0.154 -8.361 1.00 63.24 C ATOM 848 OE1 GLU A 54 8.361 -0.557 -8.885 1.00 41.34 O ATOM 849 OE2 GLU A 54 6.924 1.091 -8.984 1.00 42.34 O ATOM 0 H GLU A 54 4.057 -0.028 -6.420 1.00 12.43 H new ATOM 0 HA GLU A 54 5.215 -1.464 -8.731 1.00 53.24 H new ATOM 0 HB2 GLU A 54 5.903 -1.564 -5.751 1.00 1.13 H new ATOM 0 HB3 GLU A 54 6.830 -2.291 -7.048 1.00 1.13 H new ATOM 0 HG2 GLU A 54 6.459 0.691 -6.535 1.00 43.34 H new ATOM 0 HG3 GLU A 54 7.924 -0.237 -6.289 1.00 43.34 H new ATOM 856 N ASN A 55 3.930 -3.560 -8.508 1.00 41.21 N ATOM 857 CA ASN A 55 3.264 -4.877 -8.444 1.00 12.24 C ATOM 858 C ASN A 55 4.323 -6.002 -8.466 1.00 22.03 C ATOM 859 O ASN A 55 5.009 -6.201 -9.477 1.00 32.14 O ATOM 860 CB ASN A 55 2.278 -5.040 -9.633 1.00 21.50 C ATOM 861 CG ASN A 55 1.165 -3.989 -9.650 1.00 1.42 C ATOM 862 OD1 ASN A 55 0.723 -3.512 -8.609 1.00 0.21 O ATOM 863 ND2 ASN A 55 0.702 -3.623 -10.834 1.00 75.21 N ATOM 0 H ASN A 55 4.222 -3.296 -9.449 1.00 41.21 H new ATOM 0 HA ASN A 55 2.698 -4.943 -7.515 1.00 12.24 H new ATOM 0 HB2 ASN A 55 2.836 -4.983 -10.568 1.00 21.50 H new ATOM 0 HB3 ASN A 55 1.829 -6.032 -9.590 1.00 21.50 H new ATOM 0 HD21 ASN A 55 -0.041 -2.927 -10.898 1.00 75.21 H new ATOM 0 HD22 ASN A 55 1.088 -4.036 -11.683 1.00 75.21 H new ATOM 870 N GLU A 56 4.443 -6.733 -7.347 1.00 5.40 N ATOM 871 CA GLU A 56 5.428 -7.827 -7.182 1.00 51.03 C ATOM 872 C GLU A 56 4.699 -9.088 -6.662 1.00 0.54 C ATOM 873 O GLU A 56 4.632 -9.334 -5.457 1.00 11.23 O ATOM 874 CB GLU A 56 6.574 -7.336 -6.231 1.00 0.32 C ATOM 875 CG GLU A 56 7.760 -8.324 -5.984 1.00 63.24 C ATOM 876 CD GLU A 56 7.701 -9.051 -4.622 1.00 25.11 C ATOM 877 OE1 GLU A 56 7.863 -8.381 -3.579 1.00 74.02 O ATOM 878 OE2 GLU A 56 7.489 -10.280 -4.581 1.00 32.24 O ATOM 0 H GLU A 56 3.859 -6.585 -6.524 1.00 5.40 H new ATOM 0 HA GLU A 56 5.891 -8.097 -8.131 1.00 51.03 H new ATOM 0 HB2 GLU A 56 6.982 -6.412 -6.640 1.00 0.32 H new ATOM 0 HB3 GLU A 56 6.132 -7.089 -5.266 1.00 0.32 H new ATOM 0 HG2 GLU A 56 7.771 -9.068 -6.781 1.00 63.24 H new ATOM 0 HG3 GLU A 56 8.698 -7.773 -6.049 1.00 63.24 H new ATOM 885 N GLY A 57 4.082 -9.843 -7.596 1.00 43.33 N ATOM 886 CA GLY A 57 3.241 -11.003 -7.247 1.00 43.14 C ATOM 887 C GLY A 57 1.973 -10.602 -6.463 1.00 12.20 C ATOM 888 O GLY A 57 1.177 -9.819 -6.974 1.00 54.23 O ATOM 0 H GLY A 57 4.152 -9.668 -8.598 1.00 43.33 H new ATOM 0 HA2 GLY A 57 2.950 -11.524 -8.159 1.00 43.14 H new ATOM 0 HA3 GLY A 57 3.825 -11.705 -6.652 1.00 43.14 H new ATOM 892 N PRO A 58 1.734 -11.136 -5.225 1.00 61.42 N ATOM 893 CA PRO A 58 0.649 -10.639 -4.329 1.00 61.51 C ATOM 894 C PRO A 58 1.053 -9.386 -3.498 1.00 73.24 C ATOM 895 O PRO A 58 0.223 -8.818 -2.776 1.00 44.43 O ATOM 896 CB PRO A 58 0.394 -11.860 -3.425 1.00 11.35 C ATOM 897 CG PRO A 58 1.739 -12.516 -3.300 1.00 41.14 C ATOM 898 CD PRO A 58 2.438 -12.307 -4.633 1.00 44.15 C ATOM 0 HA PRO A 58 -0.225 -10.297 -4.883 1.00 61.51 H new ATOM 0 HB2 PRO A 58 0.006 -11.560 -2.452 1.00 11.35 H new ATOM 0 HB3 PRO A 58 -0.339 -12.536 -3.866 1.00 11.35 H new ATOM 0 HG2 PRO A 58 2.313 -12.074 -2.486 1.00 41.14 H new ATOM 0 HG3 PRO A 58 1.635 -13.578 -3.077 1.00 41.14 H new ATOM 0 HD2 PRO A 58 3.502 -12.109 -4.500 1.00 44.15 H new ATOM 0 HD3 PRO A 58 2.355 -13.187 -5.270 1.00 44.15 H new ATOM 906 N HIS A 59 2.330 -8.969 -3.595 1.00 42.41 N ATOM 907 CA HIS A 59 2.872 -7.826 -2.826 1.00 5.32 C ATOM 908 C HIS A 59 2.631 -6.496 -3.594 1.00 75.11 C ATOM 909 O HIS A 59 3.227 -6.260 -4.646 1.00 40.44 O ATOM 910 CB HIS A 59 4.392 -8.026 -2.560 1.00 70.04 C ATOM 911 CG HIS A 59 4.759 -9.358 -1.948 1.00 30.21 C ATOM 912 ND1 HIS A 59 4.953 -9.546 -0.596 1.00 53.24 N ATOM 913 CD2 HIS A 59 5.003 -10.564 -2.518 1.00 24.34 C ATOM 914 CE1 HIS A 59 5.301 -10.794 -0.370 1.00 25.31 C ATOM 915 NE2 HIS A 59 5.332 -11.432 -1.514 1.00 31.43 N ATOM 0 H HIS A 59 3.016 -9.412 -4.206 1.00 42.41 H new ATOM 0 HA HIS A 59 2.354 -7.775 -1.868 1.00 5.32 H new ATOM 0 HB2 HIS A 59 4.929 -7.915 -3.502 1.00 70.04 H new ATOM 0 HB3 HIS A 59 4.739 -7.231 -1.900 1.00 70.04 H new ATOM 0 HD2 HIS A 59 4.948 -10.796 -3.571 1.00 24.34 H new ATOM 0 HE1 HIS A 59 5.524 -11.221 0.597 1.00 25.31 H new ATOM 0 HE2 HIS A 59 5.564 -12.418 -1.636 1.00 31.43 H new ATOM 924 N ARG A 60 1.722 -5.658 -3.071 1.00 74.41 N ATOM 925 CA ARG A 60 1.387 -4.335 -3.651 1.00 50.14 C ATOM 926 C ARG A 60 1.973 -3.224 -2.757 1.00 22.14 C ATOM 927 O ARG A 60 1.711 -3.207 -1.554 1.00 2.23 O ATOM 928 CB ARG A 60 -0.156 -4.177 -3.736 1.00 15.23 C ATOM 929 CG ARG A 60 -0.877 -5.328 -4.463 1.00 30.01 C ATOM 930 CD ARG A 60 -0.449 -5.462 -5.932 1.00 55.42 C ATOM 931 NE ARG A 60 -1.170 -6.545 -6.622 1.00 63.43 N ATOM 932 CZ ARG A 60 -0.645 -7.354 -7.516 1.00 12.01 C ATOM 933 NH1 ARG A 60 0.604 -7.264 -7.848 1.00 11.50 N ATOM 934 NH2 ARG A 60 -1.372 -8.257 -8.060 1.00 20.45 N ATOM 0 H ARG A 60 1.191 -5.875 -2.227 1.00 74.41 H new ATOM 0 HA ARG A 60 1.810 -4.259 -4.653 1.00 50.14 H new ATOM 0 HB2 ARG A 60 -0.556 -4.095 -2.725 1.00 15.23 H new ATOM 0 HB3 ARG A 60 -0.385 -3.242 -4.246 1.00 15.23 H new ATOM 0 HG2 ARG A 60 -0.674 -6.264 -3.943 1.00 30.01 H new ATOM 0 HG3 ARG A 60 -1.954 -5.164 -4.416 1.00 30.01 H new ATOM 0 HD2 ARG A 60 -0.630 -4.520 -6.449 1.00 55.42 H new ATOM 0 HD3 ARG A 60 0.623 -5.652 -5.981 1.00 55.42 H new ATOM 0 HE ARG A 60 -2.154 -6.678 -6.388 1.00 63.43 H new ATOM 0 HH11 ARG A 60 1.197 -6.557 -7.414 1.00 11.50 H new ATOM 0 HH12 ARG A 60 0.994 -7.900 -8.543 1.00 11.50 H new ATOM 0 HH21 ARG A 60 -2.354 -8.347 -7.799 1.00 20.45 H new ATOM 0 HH22 ARG A 60 -0.969 -8.887 -8.754 1.00 20.45 H new ATOM 948 N ARG A 61 2.754 -2.300 -3.336 1.00 15.22 N ATOM 949 CA ARG A 61 3.424 -1.238 -2.550 1.00 64.02 C ATOM 950 C ARG A 61 3.453 0.118 -3.298 1.00 64.20 C ATOM 951 O ARG A 61 3.926 0.213 -4.434 1.00 24.22 O ATOM 952 CB ARG A 61 4.851 -1.708 -2.130 1.00 13.51 C ATOM 953 CG ARG A 61 5.741 -2.178 -3.296 1.00 64.10 C ATOM 954 CD ARG A 61 7.088 -2.776 -2.844 1.00 23.50 C ATOM 955 NE ARG A 61 6.906 -4.012 -2.055 1.00 13.42 N ATOM 956 CZ ARG A 61 7.252 -5.228 -2.436 1.00 65.34 C ATOM 957 NH1 ARG A 61 7.765 -5.452 -3.604 1.00 41.00 N ATOM 958 NH2 ARG A 61 7.072 -6.228 -1.640 1.00 54.21 N ATOM 0 H ARG A 61 2.940 -2.261 -4.338 1.00 15.22 H new ATOM 0 HA ARG A 61 2.840 -1.065 -1.646 1.00 64.02 H new ATOM 0 HB2 ARG A 61 5.352 -0.888 -1.615 1.00 13.51 H new ATOM 0 HB3 ARG A 61 4.754 -2.523 -1.413 1.00 13.51 H new ATOM 0 HG2 ARG A 61 5.199 -2.924 -3.878 1.00 64.10 H new ATOM 0 HG3 ARG A 61 5.932 -1.334 -3.959 1.00 64.10 H new ATOM 0 HD2 ARG A 61 7.701 -2.991 -3.719 1.00 23.50 H new ATOM 0 HD3 ARG A 61 7.629 -2.041 -2.248 1.00 23.50 H new ATOM 0 HE ARG A 61 6.475 -3.918 -1.135 1.00 13.42 H new ATOM 0 HH11 ARG A 61 7.910 -4.679 -4.254 1.00 41.00 H new ATOM 0 HH12 ARG A 61 8.024 -6.401 -3.874 1.00 41.00 H new ATOM 0 HH21 ARG A 61 6.663 -6.078 -0.718 1.00 54.21 H new ATOM 0 HH22 ARG A 61 7.339 -7.168 -1.933 1.00 54.21 H new ATOM 972 N LEU A 62 2.907 1.158 -2.637 1.00 64.32 N ATOM 973 CA LEU A 62 2.942 2.555 -3.124 1.00 62.11 C ATOM 974 C LEU A 62 4.250 3.215 -2.644 1.00 50.04 C ATOM 975 O LEU A 62 4.443 3.417 -1.440 1.00 13.43 O ATOM 976 CB LEU A 62 1.673 3.326 -2.618 1.00 54.34 C ATOM 977 CG LEU A 62 1.392 4.772 -3.198 1.00 50.32 C ATOM 978 CD1 LEU A 62 -0.079 5.192 -2.962 1.00 12.22 C ATOM 979 CD2 LEU A 62 2.331 5.858 -2.613 1.00 71.20 C ATOM 0 H LEU A 62 2.426 1.053 -1.744 1.00 64.32 H new ATOM 0 HA LEU A 62 2.924 2.583 -4.214 1.00 62.11 H new ATOM 0 HB2 LEU A 62 0.801 2.707 -2.831 1.00 54.34 H new ATOM 0 HB3 LEU A 62 1.746 3.411 -1.534 1.00 54.34 H new ATOM 0 HG LEU A 62 1.591 4.702 -4.267 1.00 50.32 H new ATOM 0 HD11 LEU A 62 -0.243 6.189 -3.371 1.00 12.22 H new ATOM 0 HD12 LEU A 62 -0.743 4.484 -3.457 1.00 12.22 H new ATOM 0 HD13 LEU A 62 -0.288 5.200 -1.892 1.00 12.22 H new ATOM 0 HD21 LEU A 62 2.086 6.825 -3.052 1.00 71.20 H new ATOM 0 HD22 LEU A 62 2.202 5.907 -1.532 1.00 71.20 H new ATOM 0 HD23 LEU A 62 3.366 5.607 -2.844 1.00 71.20 H new ATOM 991 N VAL A 63 5.148 3.539 -3.582 1.00 41.32 N ATOM 992 CA VAL A 63 6.420 4.221 -3.273 1.00 31.14 C ATOM 993 C VAL A 63 6.316 5.734 -3.615 1.00 20.33 C ATOM 994 O VAL A 63 5.830 6.113 -4.695 1.00 64.33 O ATOM 995 CB VAL A 63 7.625 3.555 -4.043 1.00 31.31 C ATOM 996 CG1 VAL A 63 8.984 4.202 -3.664 1.00 31.21 C ATOM 997 CG2 VAL A 63 7.653 2.018 -3.823 1.00 64.35 C ATOM 0 H VAL A 63 5.019 3.339 -4.574 1.00 41.32 H new ATOM 0 HA VAL A 63 6.612 4.117 -2.205 1.00 31.14 H new ATOM 0 HB VAL A 63 7.467 3.738 -5.106 1.00 31.31 H new ATOM 0 HG11 VAL A 63 9.786 3.713 -4.217 1.00 31.21 H new ATOM 0 HG12 VAL A 63 8.964 5.263 -3.914 1.00 31.21 H new ATOM 0 HG13 VAL A 63 9.157 4.085 -2.594 1.00 31.21 H new ATOM 0 HG21 VAL A 63 8.494 1.588 -4.366 1.00 64.35 H new ATOM 0 HG22 VAL A 63 7.760 1.805 -2.760 1.00 64.35 H new ATOM 0 HG23 VAL A 63 6.724 1.581 -4.189 1.00 64.35 H new ATOM 1007 N LEU A 64 6.774 6.590 -2.681 1.00 73.34 N ATOM 1008 CA LEU A 64 6.743 8.061 -2.827 1.00 0.21 C ATOM 1009 C LEU A 64 8.158 8.641 -2.532 1.00 23.22 C ATOM 1010 O LEU A 64 8.550 8.727 -1.367 1.00 23.53 O ATOM 1011 CB LEU A 64 5.660 8.689 -1.864 1.00 11.54 C ATOM 1012 CG LEU A 64 4.767 9.829 -2.463 1.00 14.32 C ATOM 1013 CD1 LEU A 64 5.598 10.947 -3.119 1.00 43.01 C ATOM 1014 CD2 LEU A 64 3.733 9.254 -3.444 1.00 1.25 C ATOM 0 H LEU A 64 7.179 6.280 -1.798 1.00 73.34 H new ATOM 0 HA LEU A 64 6.465 8.317 -3.849 1.00 0.21 H new ATOM 0 HB2 LEU A 64 5.005 7.889 -1.519 1.00 11.54 H new ATOM 0 HB3 LEU A 64 6.172 9.083 -0.986 1.00 11.54 H new ATOM 0 HG LEU A 64 4.234 10.287 -1.630 1.00 14.32 H new ATOM 0 HD11 LEU A 64 4.930 11.711 -3.518 1.00 43.01 H new ATOM 0 HD12 LEU A 64 6.258 11.394 -2.375 1.00 43.01 H new ATOM 0 HD13 LEU A 64 6.195 10.529 -3.929 1.00 43.01 H new ATOM 0 HD21 LEU A 64 3.125 10.064 -3.847 1.00 1.25 H new ATOM 0 HD22 LEU A 64 4.248 8.746 -4.260 1.00 1.25 H new ATOM 0 HD23 LEU A 64 3.092 8.544 -2.922 1.00 1.25 H new ATOM 1026 N PRO A 65 8.962 9.002 -3.588 1.00 12.30 N ATOM 1027 CA PRO A 65 10.295 9.647 -3.404 1.00 65.35 C ATOM 1028 C PRO A 65 10.212 11.045 -2.702 1.00 13.30 C ATOM 1029 O PRO A 65 10.609 11.183 -1.534 1.00 55.33 O ATOM 1030 CB PRO A 65 10.854 9.728 -4.856 1.00 64.42 C ATOM 1031 CG PRO A 65 9.645 9.656 -5.744 1.00 24.20 C ATOM 1032 CD PRO A 65 8.669 8.754 -5.026 1.00 43.13 C ATOM 0 HA PRO A 65 10.943 9.082 -2.734 1.00 65.35 H new ATOM 0 HB2 PRO A 65 11.406 10.655 -5.015 1.00 64.42 H new ATOM 0 HB3 PRO A 65 11.543 8.908 -5.060 1.00 64.42 H new ATOM 0 HG2 PRO A 65 9.218 10.646 -5.906 1.00 24.20 H new ATOM 0 HG3 PRO A 65 9.902 9.255 -6.724 1.00 24.20 H new ATOM 0 HD2 PRO A 65 7.637 9.001 -5.274 1.00 43.13 H new ATOM 0 HD3 PRO A 65 8.819 7.708 -5.292 1.00 43.13 H new ATOM 1040 N ALA A 66 9.675 12.067 -3.407 1.00 12.31 N ATOM 1041 CA ALA A 66 9.467 13.422 -2.842 1.00 3.42 C ATOM 1042 C ALA A 66 8.089 13.496 -2.145 1.00 4.01 C ATOM 1043 O ALA A 66 7.119 14.010 -2.712 1.00 41.02 O ATOM 1044 CB ALA A 66 9.605 14.491 -3.946 1.00 52.25 C ATOM 0 H ALA A 66 9.375 11.978 -4.378 1.00 12.31 H new ATOM 0 HA ALA A 66 10.234 13.623 -2.094 1.00 3.42 H new ATOM 0 HB1 ALA A 66 9.450 15.480 -3.516 1.00 52.25 H new ATOM 0 HB2 ALA A 66 10.603 14.437 -4.382 1.00 52.25 H new ATOM 0 HB3 ALA A 66 8.860 14.312 -4.721 1.00 52.25 H new ATOM 1050 N THR A 67 8.014 12.913 -0.929 1.00 0.00 N ATOM 1051 CA THR A 67 6.766 12.835 -0.126 1.00 42.34 C ATOM 1052 C THR A 67 6.214 14.230 0.229 1.00 2.51 C ATOM 1053 O THR A 67 5.076 14.554 -0.126 1.00 20.20 O ATOM 1054 CB THR A 67 6.988 11.996 1.179 1.00 62.13 C ATOM 1055 OG1 THR A 67 7.424 10.676 0.823 1.00 3.20 O ATOM 1056 CG2 THR A 67 5.722 11.887 2.058 1.00 41.10 C ATOM 0 H THR A 67 8.817 12.481 -0.472 1.00 0.00 H new ATOM 0 HA THR A 67 6.025 12.333 -0.748 1.00 42.34 H new ATOM 0 HB THR A 67 7.743 12.519 1.767 1.00 62.13 H new ATOM 0 HG1 THR A 67 8.286 10.490 1.250 1.00 3.20 H new ATOM 0 HG21 THR A 67 5.945 11.294 2.945 1.00 41.10 H new ATOM 0 HG22 THR A 67 5.402 12.884 2.360 1.00 41.10 H new ATOM 0 HG23 THR A 67 4.925 11.406 1.490 1.00 41.10 H new ATOM 1064 N GLN A 68 7.045 15.040 0.943 1.00 4.21 N ATOM 1065 CA GLN A 68 6.717 16.455 1.317 1.00 64.34 C ATOM 1066 C GLN A 68 5.459 16.532 2.266 1.00 53.12 C ATOM 1067 O GLN A 68 4.814 15.507 2.513 1.00 43.13 O ATOM 1068 CB GLN A 68 6.494 17.300 0.012 1.00 44.55 C ATOM 1069 CG GLN A 68 7.655 17.259 -1.007 1.00 13.23 C ATOM 1070 CD GLN A 68 7.313 17.914 -2.355 1.00 44.45 C ATOM 1071 OE1 GLN A 68 6.158 17.949 -2.772 1.00 11.23 O ATOM 1072 NE2 GLN A 68 8.311 18.412 -3.058 1.00 60.53 N ATOM 0 H GLN A 68 7.960 14.736 1.277 1.00 4.21 H new ATOM 0 HA GLN A 68 7.556 16.870 1.875 1.00 64.34 H new ATOM 0 HB2 GLN A 68 5.588 16.946 -0.480 1.00 44.55 H new ATOM 0 HB3 GLN A 68 6.318 18.338 0.296 1.00 44.55 H new ATOM 0 HG2 GLN A 68 8.522 17.761 -0.578 1.00 13.23 H new ATOM 0 HG3 GLN A 68 7.940 16.221 -1.179 1.00 13.23 H new ATOM 0 HE21 GLN A 68 9.262 18.372 -2.692 1.00 60.53 H new ATOM 0 HE22 GLN A 68 8.132 18.837 -3.968 1.00 60.53 H new ATOM 1081 N PRO A 69 5.063 17.738 2.820 1.00 43.14 N ATOM 1082 CA PRO A 69 3.721 17.916 3.463 1.00 2.11 C ATOM 1083 C PRO A 69 2.541 17.614 2.480 1.00 61.11 C ATOM 1084 O PRO A 69 1.391 17.463 2.912 1.00 31.23 O ATOM 1085 CB PRO A 69 3.724 19.406 3.932 1.00 15.15 C ATOM 1086 CG PRO A 69 4.826 20.053 3.142 1.00 22.32 C ATOM 1087 CD PRO A 69 5.876 18.978 2.945 1.00 54.11 C ATOM 0 HA PRO A 69 3.565 17.218 4.286 1.00 2.11 H new ATOM 0 HB2 PRO A 69 2.764 19.884 3.737 1.00 15.15 H new ATOM 0 HB3 PRO A 69 3.907 19.483 5.004 1.00 15.15 H new ATOM 0 HG2 PRO A 69 4.457 20.420 2.184 1.00 22.32 H new ATOM 0 HG3 PRO A 69 5.238 20.910 3.675 1.00 22.32 H new ATOM 0 HD2 PRO A 69 6.477 19.159 2.054 1.00 54.11 H new ATOM 0 HD3 PRO A 69 6.564 18.926 3.788 1.00 54.11 H new ATOM 1095 N SER A 70 2.863 17.538 1.161 1.00 63.41 N ATOM 1096 CA SER A 70 1.941 17.102 0.087 1.00 45.52 C ATOM 1097 C SER A 70 1.290 15.730 0.389 1.00 60.15 C ATOM 1098 O SER A 70 0.065 15.609 0.365 1.00 33.35 O ATOM 1099 CB SER A 70 2.713 17.017 -1.250 1.00 24.12 C ATOM 1100 OG SER A 70 3.377 18.239 -1.538 1.00 22.12 O ATOM 0 H SER A 70 3.789 17.784 0.812 1.00 63.41 H new ATOM 0 HA SER A 70 1.141 17.840 0.024 1.00 45.52 H new ATOM 0 HB2 SER A 70 3.441 16.207 -1.202 1.00 24.12 H new ATOM 0 HB3 SER A 70 2.022 16.777 -2.058 1.00 24.12 H new ATOM 0 HG SER A 70 4.250 18.050 -1.941 1.00 22.12 H new ATOM 1106 N ASP A 71 2.122 14.704 0.685 1.00 33.50 N ATOM 1107 CA ASP A 71 1.652 13.317 0.971 1.00 75.52 C ATOM 1108 C ASP A 71 1.682 12.975 2.480 1.00 3.11 C ATOM 1109 O ASP A 71 1.764 11.803 2.863 1.00 72.23 O ATOM 1110 CB ASP A 71 2.479 12.300 0.134 1.00 34.22 C ATOM 1111 CG ASP A 71 2.085 12.327 -1.353 1.00 13.43 C ATOM 1112 OD1 ASP A 71 2.608 13.169 -2.109 1.00 52.35 O ATOM 1113 OD2 ASP A 71 1.196 11.537 -1.757 1.00 1.02 O ATOM 0 H ASP A 71 3.136 14.808 0.734 1.00 33.50 H new ATOM 0 HA ASP A 71 0.605 13.251 0.675 1.00 75.52 H new ATOM 0 HB2 ASP A 71 3.541 12.527 0.233 1.00 34.22 H new ATOM 0 HB3 ASP A 71 2.329 11.296 0.531 1.00 34.22 H new ATOM 1118 N GLY A 72 1.539 14.005 3.330 1.00 10.34 N ATOM 1119 CA GLY A 72 1.458 13.827 4.791 1.00 14.12 C ATOM 1120 C GLY A 72 0.020 13.586 5.279 1.00 64.55 C ATOM 1121 O GLY A 72 -0.469 14.289 6.169 1.00 61.35 O ATOM 0 H GLY A 72 1.477 14.977 3.028 1.00 10.34 H new ATOM 0 HA2 GLY A 72 2.084 12.985 5.086 1.00 14.12 H new ATOM 0 HA3 GLY A 72 1.861 14.712 5.284 1.00 14.12 H new ATOM 1125 N GLY A 73 -0.641 12.554 4.712 1.00 23.14 N ATOM 1126 CA GLY A 73 -2.055 12.260 5.001 1.00 0.33 C ATOM 1127 C GLY A 73 -2.393 10.773 4.882 1.00 71.25 C ATOM 1128 O GLY A 73 -1.498 9.930 4.823 1.00 64.24 O ATOM 0 H GLY A 73 -0.212 11.909 4.048 1.00 23.14 H new ATOM 0 HA2 GLY A 73 -2.293 12.601 6.008 1.00 0.33 H new ATOM 0 HA3 GLY A 73 -2.686 12.826 4.315 1.00 0.33 H new ATOM 1132 N GLU A 74 -3.698 10.455 4.838 1.00 31.41 N ATOM 1133 CA GLU A 74 -4.201 9.060 4.824 1.00 50.22 C ATOM 1134 C GLU A 74 -4.114 8.406 3.422 1.00 41.14 C ATOM 1135 O GLU A 74 -4.156 9.091 2.399 1.00 30.43 O ATOM 1136 CB GLU A 74 -5.663 9.032 5.325 1.00 35.24 C ATOM 1137 CG GLU A 74 -5.839 9.500 6.786 1.00 40.13 C ATOM 1138 CD GLU A 74 -7.312 9.622 7.199 1.00 33.13 C ATOM 1139 OE1 GLU A 74 -7.986 8.579 7.330 1.00 65.03 O ATOM 1140 OE2 GLU A 74 -7.808 10.760 7.361 1.00 52.25 O ATOM 0 H GLU A 74 -4.439 11.155 4.811 1.00 31.41 H new ATOM 0 HA GLU A 74 -3.561 8.478 5.488 1.00 50.22 H new ATOM 0 HB2 GLU A 74 -6.270 9.664 4.677 1.00 35.24 H new ATOM 0 HB3 GLU A 74 -6.048 8.017 5.231 1.00 35.24 H new ATOM 0 HG2 GLU A 74 -5.337 8.797 7.451 1.00 40.13 H new ATOM 0 HG3 GLU A 74 -5.349 10.465 6.915 1.00 40.13 H new ATOM 1147 N PHE A 75 -3.977 7.067 3.412 1.00 12.14 N ATOM 1148 CA PHE A 75 -3.912 6.245 2.186 1.00 11.25 C ATOM 1149 C PHE A 75 -4.755 4.959 2.358 1.00 24.12 C ATOM 1150 O PHE A 75 -4.653 4.285 3.374 1.00 41.12 O ATOM 1151 CB PHE A 75 -2.441 5.889 1.852 1.00 3.20 C ATOM 1152 CG PHE A 75 -1.595 7.080 1.388 1.00 33.40 C ATOM 1153 CD1 PHE A 75 -0.881 7.866 2.297 1.00 22.42 C ATOM 1154 CD2 PHE A 75 -1.513 7.406 0.035 1.00 15.23 C ATOM 1155 CE1 PHE A 75 -0.121 8.937 1.863 1.00 33.33 C ATOM 1156 CE2 PHE A 75 -0.752 8.472 -0.392 1.00 33.02 C ATOM 1157 CZ PHE A 75 -0.055 9.238 0.519 1.00 70.24 C ATOM 0 H PHE A 75 -3.907 6.516 4.268 1.00 12.14 H new ATOM 0 HA PHE A 75 -4.324 6.821 1.357 1.00 11.25 H new ATOM 0 HB2 PHE A 75 -1.976 5.450 2.735 1.00 3.20 H new ATOM 0 HB3 PHE A 75 -2.432 5.126 1.074 1.00 3.20 H new ATOM 0 HD1 PHE A 75 -0.923 7.634 3.351 1.00 22.42 H new ATOM 0 HD2 PHE A 75 -2.054 6.814 -0.689 1.00 15.23 H new ATOM 0 HE1 PHE A 75 0.421 9.538 2.578 1.00 33.33 H new ATOM 0 HE2 PHE A 75 -0.701 8.709 -1.444 1.00 33.02 H new ATOM 0 HZ PHE A 75 0.541 10.072 0.180 1.00 70.24 H new ATOM 1167 N GLN A 76 -5.581 4.623 1.353 1.00 3.10 N ATOM 1168 CA GLN A 76 -6.509 3.464 1.413 1.00 22.40 C ATOM 1169 C GLN A 76 -6.259 2.493 0.237 1.00 62.54 C ATOM 1170 O GLN A 76 -6.441 2.867 -0.916 1.00 2.03 O ATOM 1171 CB GLN A 76 -7.969 3.987 1.380 1.00 24.22 C ATOM 1172 CG GLN A 76 -9.057 2.898 1.437 1.00 32.12 C ATOM 1173 CD GLN A 76 -10.471 3.466 1.282 1.00 44.52 C ATOM 1174 OE1 GLN A 76 -11.114 3.847 2.252 1.00 13.24 O ATOM 1175 NE2 GLN A 76 -10.964 3.541 0.056 1.00 74.41 N ATOM 0 H GLN A 76 -5.630 5.141 0.476 1.00 3.10 H new ATOM 0 HA GLN A 76 -6.335 2.914 2.338 1.00 22.40 H new ATOM 0 HB2 GLN A 76 -8.114 4.667 2.220 1.00 24.22 H new ATOM 0 HB3 GLN A 76 -8.109 4.570 0.470 1.00 24.22 H new ATOM 0 HG2 GLN A 76 -8.875 2.167 0.649 1.00 32.12 H new ATOM 0 HG3 GLN A 76 -8.985 2.368 2.387 1.00 32.12 H new ATOM 0 HE21 GLN A 76 -10.410 3.218 -0.737 1.00 74.41 H new ATOM 0 HE22 GLN A 76 -11.898 3.922 -0.096 1.00 74.41 H new ATOM 1184 N CYS A 77 -5.839 1.252 0.544 1.00 50.52 N ATOM 1185 CA CYS A 77 -5.619 0.193 -0.473 1.00 15.15 C ATOM 1186 C CYS A 77 -6.833 -0.760 -0.550 1.00 4.24 C ATOM 1187 O CYS A 77 -6.996 -1.634 0.303 1.00 24.32 O ATOM 1188 CB CYS A 77 -4.343 -0.616 -0.147 1.00 4.14 C ATOM 1189 SG CYS A 77 -3.981 -1.937 -1.331 1.00 14.34 S ATOM 0 H CYS A 77 -5.642 0.950 1.498 1.00 50.52 H new ATOM 0 HA CYS A 77 -5.495 0.681 -1.440 1.00 15.15 H new ATOM 0 HB2 CYS A 77 -3.493 0.066 -0.109 1.00 4.14 H new ATOM 0 HB3 CYS A 77 -4.446 -1.052 0.847 1.00 4.14 H new ATOM 0 HG CYS A 77 -3.513 -2.971 -0.698 1.00 14.34 H new ATOM 1195 N VAL A 78 -7.701 -0.566 -1.555 1.00 23.13 N ATOM 1196 CA VAL A 78 -8.853 -1.459 -1.815 1.00 23.01 C ATOM 1197 C VAL A 78 -8.444 -2.598 -2.775 1.00 3.52 C ATOM 1198 O VAL A 78 -8.195 -2.359 -3.963 1.00 31.41 O ATOM 1199 CB VAL A 78 -10.079 -0.682 -2.423 1.00 62.11 C ATOM 1200 CG1 VAL A 78 -11.287 -1.628 -2.670 1.00 70.44 C ATOM 1201 CG2 VAL A 78 -10.478 0.513 -1.527 1.00 74.43 C ATOM 0 H VAL A 78 -7.629 0.211 -2.212 1.00 23.13 H new ATOM 0 HA VAL A 78 -9.158 -1.874 -0.854 1.00 23.01 H new ATOM 0 HB VAL A 78 -9.771 -0.287 -3.391 1.00 62.11 H new ATOM 0 HG11 VAL A 78 -12.116 -1.058 -3.090 1.00 70.44 H new ATOM 0 HG12 VAL A 78 -10.997 -2.414 -3.367 1.00 70.44 H new ATOM 0 HG13 VAL A 78 -11.597 -2.076 -1.726 1.00 70.44 H new ATOM 0 HG21 VAL A 78 -11.328 1.032 -1.970 1.00 74.43 H new ATOM 0 HG22 VAL A 78 -10.752 0.150 -0.536 1.00 74.43 H new ATOM 0 HG23 VAL A 78 -9.637 1.201 -1.442 1.00 74.43 H new ATOM 1211 N ALA A 79 -8.375 -3.827 -2.247 1.00 51.44 N ATOM 1212 CA ALA A 79 -8.103 -5.041 -3.048 1.00 50.03 C ATOM 1213 C ALA A 79 -9.308 -5.403 -3.950 1.00 33.21 C ATOM 1214 O ALA A 79 -9.140 -5.880 -5.077 1.00 61.53 O ATOM 1215 CB ALA A 79 -7.765 -6.210 -2.113 1.00 55.32 C ATOM 0 H ALA A 79 -8.505 -4.014 -1.253 1.00 51.44 H new ATOM 0 HA ALA A 79 -7.252 -4.840 -3.699 1.00 50.03 H new ATOM 0 HB1 ALA A 79 -7.565 -7.103 -2.705 1.00 55.32 H new ATOM 0 HB2 ALA A 79 -6.883 -5.961 -1.523 1.00 55.32 H new ATOM 0 HB3 ALA A 79 -8.607 -6.398 -1.446 1.00 55.32 H new ATOM 1221 N GLY A 80 -10.522 -5.160 -3.426 1.00 4.41 N ATOM 1222 CA GLY A 80 -11.784 -5.493 -4.110 1.00 50.05 C ATOM 1223 C GLY A 80 -12.863 -5.930 -3.125 1.00 2.15 C ATOM 1224 O GLY A 80 -13.989 -5.417 -3.132 1.00 1.11 O ATOM 0 H GLY A 80 -10.656 -4.726 -2.513 1.00 4.41 H new ATOM 0 HA2 GLY A 80 -12.133 -4.626 -4.671 1.00 50.05 H new ATOM 0 HA3 GLY A 80 -11.607 -6.290 -4.832 1.00 50.05 H new ATOM 1228 N ASP A 81 -12.501 -6.897 -2.269 1.00 53.43 N ATOM 1229 CA ASP A 81 -13.365 -7.395 -1.184 1.00 34.15 C ATOM 1230 C ASP A 81 -13.047 -6.648 0.134 1.00 20.11 C ATOM 1231 O ASP A 81 -13.946 -6.121 0.796 1.00 71.23 O ATOM 1232 CB ASP A 81 -13.160 -8.920 -1.037 1.00 53.12 C ATOM 1233 CG ASP A 81 -13.998 -9.541 0.087 1.00 11.31 C ATOM 1234 OD1 ASP A 81 -15.227 -9.659 -0.087 1.00 62.14 O ATOM 1235 OD2 ASP A 81 -13.435 -9.903 1.139 1.00 63.12 O ATOM 0 H ASP A 81 -11.593 -7.360 -2.309 1.00 53.43 H new ATOM 0 HA ASP A 81 -14.412 -7.207 -1.422 1.00 34.15 H new ATOM 0 HB2 ASP A 81 -13.413 -9.406 -1.980 1.00 53.12 H new ATOM 0 HB3 ASP A 81 -12.106 -9.121 -0.848 1.00 53.12 H new ATOM 1240 N GLU A 82 -11.753 -6.621 0.502 1.00 44.22 N ATOM 1241 CA GLU A 82 -11.261 -5.896 1.702 1.00 71.33 C ATOM 1242 C GLU A 82 -10.552 -4.570 1.324 1.00 35.05 C ATOM 1243 O GLU A 82 -10.159 -4.356 0.167 1.00 1.51 O ATOM 1244 CB GLU A 82 -10.294 -6.810 2.502 1.00 10.44 C ATOM 1245 CG GLU A 82 -10.921 -8.117 3.041 1.00 33.02 C ATOM 1246 CD GLU A 82 -11.845 -7.934 4.259 1.00 64.14 C ATOM 1247 OE1 GLU A 82 -13.004 -7.509 4.087 1.00 1.34 O ATOM 1248 OE2 GLU A 82 -11.407 -8.225 5.399 1.00 23.13 O ATOM 0 H GLU A 82 -11.016 -7.098 -0.018 1.00 44.22 H new ATOM 0 HA GLU A 82 -12.123 -5.641 2.319 1.00 71.33 H new ATOM 0 HB2 GLU A 82 -9.450 -7.067 1.862 1.00 10.44 H new ATOM 0 HB3 GLU A 82 -9.895 -6.243 3.343 1.00 10.44 H new ATOM 0 HG2 GLU A 82 -11.489 -8.589 2.239 1.00 33.02 H new ATOM 0 HG3 GLU A 82 -10.119 -8.804 3.311 1.00 33.02 H new ATOM 1255 N CYS A 83 -10.392 -3.689 2.330 1.00 1.11 N ATOM 1256 CA CYS A 83 -9.669 -2.403 2.198 1.00 45.52 C ATOM 1257 C CYS A 83 -8.777 -2.153 3.438 1.00 73.50 C ATOM 1258 O CYS A 83 -9.270 -2.126 4.573 1.00 54.50 O ATOM 1259 CB CYS A 83 -10.671 -1.243 1.996 1.00 62.42 C ATOM 1260 SG CYS A 83 -11.888 -1.053 3.322 1.00 72.03 S ATOM 0 H CYS A 83 -10.763 -3.848 3.267 1.00 1.11 H new ATOM 0 HA CYS A 83 -9.023 -2.453 1.322 1.00 45.52 H new ATOM 0 HB2 CYS A 83 -10.113 -0.312 1.898 1.00 62.42 H new ATOM 0 HB3 CYS A 83 -11.200 -1.398 1.056 1.00 62.42 H new ATOM 0 HG CYS A 83 -11.358 -1.415 4.453 1.00 72.03 H new ATOM 1266 N ALA A 84 -7.461 -1.986 3.206 1.00 11.02 N ATOM 1267 CA ALA A 84 -6.465 -1.710 4.263 1.00 54.03 C ATOM 1268 C ALA A 84 -6.242 -0.193 4.408 1.00 42.11 C ATOM 1269 O ALA A 84 -6.268 0.546 3.413 1.00 14.11 O ATOM 1270 CB ALA A 84 -5.137 -2.417 3.941 1.00 71.12 C ATOM 0 H ALA A 84 -7.054 -2.039 2.272 1.00 11.02 H new ATOM 0 HA ALA A 84 -6.846 -2.096 5.209 1.00 54.03 H new ATOM 0 HB1 ALA A 84 -4.412 -2.206 4.727 1.00 71.12 H new ATOM 0 HB2 ALA A 84 -5.303 -3.493 3.880 1.00 71.12 H new ATOM 0 HB3 ALA A 84 -4.754 -2.054 2.987 1.00 71.12 H new ATOM 1276 N TYR A 85 -6.019 0.267 5.647 1.00 21.13 N ATOM 1277 CA TYR A 85 -5.891 1.704 5.962 1.00 13.31 C ATOM 1278 C TYR A 85 -4.475 2.049 6.479 1.00 50.14 C ATOM 1279 O TYR A 85 -3.955 1.418 7.406 1.00 53.52 O ATOM 1280 CB TYR A 85 -6.963 2.122 6.998 1.00 72.53 C ATOM 1281 CG TYR A 85 -8.415 1.966 6.504 1.00 41.35 C ATOM 1282 CD1 TYR A 85 -9.047 2.981 5.774 1.00 74.54 C ATOM 1283 CD2 TYR A 85 -9.153 0.802 6.765 1.00 3.42 C ATOM 1284 CE1 TYR A 85 -10.348 2.839 5.329 1.00 13.10 C ATOM 1285 CE2 TYR A 85 -10.452 0.663 6.318 1.00 41.41 C ATOM 1286 CZ TYR A 85 -11.044 1.682 5.605 1.00 1.31 C ATOM 1287 OH TYR A 85 -12.342 1.544 5.164 1.00 33.23 O ATOM 0 H TYR A 85 -5.922 -0.342 6.460 1.00 21.13 H new ATOM 0 HA TYR A 85 -6.050 2.264 5.040 1.00 13.31 H new ATOM 0 HB2 TYR A 85 -6.832 1.525 7.900 1.00 72.53 H new ATOM 0 HB3 TYR A 85 -6.796 3.162 7.277 1.00 72.53 H new ATOM 0 HD1 TYR A 85 -8.508 3.891 5.555 1.00 74.54 H new ATOM 0 HD2 TYR A 85 -8.697 -0.000 7.326 1.00 3.42 H new ATOM 0 HE1 TYR A 85 -10.818 3.632 4.767 1.00 13.10 H new ATOM 0 HE2 TYR A 85 -11.002 -0.242 6.527 1.00 41.41 H new ATOM 0 HH TYR A 85 -12.400 0.781 4.551 1.00 33.23 H new ATOM 1297 N PHE A 86 -3.875 3.057 5.843 1.00 50.31 N ATOM 1298 CA PHE A 86 -2.569 3.635 6.201 1.00 33.43 C ATOM 1299 C PHE A 86 -2.749 5.134 6.511 1.00 64.41 C ATOM 1300 O PHE A 86 -3.727 5.752 6.075 1.00 40.42 O ATOM 1301 CB PHE A 86 -1.559 3.461 5.030 1.00 10.12 C ATOM 1302 CG PHE A 86 -1.383 2.018 4.566 1.00 2.21 C ATOM 1303 CD1 PHE A 86 -0.475 1.170 5.198 1.00 4.21 C ATOM 1304 CD2 PHE A 86 -2.140 1.504 3.509 1.00 3.04 C ATOM 1305 CE1 PHE A 86 -0.328 -0.140 4.788 1.00 33.44 C ATOM 1306 CE2 PHE A 86 -1.993 0.192 3.103 1.00 53.34 C ATOM 1307 CZ PHE A 86 -1.086 -0.628 3.742 1.00 60.13 C ATOM 0 H PHE A 86 -4.297 3.513 5.034 1.00 50.31 H new ATOM 0 HA PHE A 86 -2.178 3.119 7.077 1.00 33.43 H new ATOM 0 HB2 PHE A 86 -1.891 4.065 4.185 1.00 10.12 H new ATOM 0 HB3 PHE A 86 -0.590 3.852 5.340 1.00 10.12 H new ATOM 0 HD1 PHE A 86 0.121 1.542 6.018 1.00 4.21 H new ATOM 0 HD2 PHE A 86 -2.850 2.142 3.003 1.00 3.04 H new ATOM 0 HE1 PHE A 86 0.381 -0.784 5.286 1.00 33.44 H new ATOM 0 HE2 PHE A 86 -2.587 -0.191 2.287 1.00 53.34 H new ATOM 0 HZ PHE A 86 -0.969 -1.653 3.424 1.00 60.13 H new ATOM 1317 N THR A 87 -1.817 5.712 7.277 1.00 1.21 N ATOM 1318 CA THR A 87 -1.794 7.169 7.549 1.00 72.42 C ATOM 1319 C THR A 87 -0.346 7.665 7.702 1.00 13.35 C ATOM 1320 O THR A 87 0.336 7.315 8.665 1.00 14.44 O ATOM 1321 CB THR A 87 -2.620 7.547 8.836 1.00 13.10 C ATOM 1322 OG1 THR A 87 -3.988 7.105 8.706 1.00 55.34 O ATOM 1323 CG2 THR A 87 -2.614 9.066 9.117 1.00 43.31 C ATOM 0 H THR A 87 -1.060 5.196 7.726 1.00 1.21 H new ATOM 0 HA THR A 87 -2.262 7.659 6.695 1.00 72.42 H new ATOM 0 HB THR A 87 -2.136 7.043 9.672 1.00 13.10 H new ATOM 0 HG1 THR A 87 -4.488 7.346 9.514 1.00 55.34 H new ATOM 0 HG21 THR A 87 -3.197 9.272 10.014 1.00 43.31 H new ATOM 0 HG22 THR A 87 -1.589 9.405 9.265 1.00 43.31 H new ATOM 0 HG23 THR A 87 -3.052 9.594 8.270 1.00 43.31 H new ATOM 1331 N VAL A 88 0.108 8.493 6.750 1.00 23.43 N ATOM 1332 CA VAL A 88 1.442 9.124 6.795 1.00 51.31 C ATOM 1333 C VAL A 88 1.349 10.455 7.575 1.00 42.44 C ATOM 1334 O VAL A 88 0.519 11.306 7.267 1.00 62.04 O ATOM 1335 CB VAL A 88 2.020 9.364 5.349 1.00 43.42 C ATOM 1336 CG1 VAL A 88 3.397 10.081 5.391 1.00 55.23 C ATOM 1337 CG2 VAL A 88 2.116 8.027 4.572 1.00 43.15 C ATOM 0 H VAL A 88 -0.437 8.746 5.926 1.00 23.43 H new ATOM 0 HA VAL A 88 2.129 8.449 7.306 1.00 51.31 H new ATOM 0 HB VAL A 88 1.329 10.022 4.822 1.00 43.42 H new ATOM 0 HG11 VAL A 88 3.762 10.228 4.374 1.00 55.23 H new ATOM 0 HG12 VAL A 88 3.289 11.048 5.881 1.00 55.23 H new ATOM 0 HG13 VAL A 88 4.108 9.470 5.947 1.00 55.23 H new ATOM 0 HG21 VAL A 88 2.517 8.213 3.576 1.00 43.15 H new ATOM 0 HG22 VAL A 88 2.774 7.342 5.106 1.00 43.15 H new ATOM 0 HG23 VAL A 88 1.124 7.584 4.487 1.00 43.15 H new ATOM 1347 N THR A 89 2.182 10.593 8.619 1.00 24.21 N ATOM 1348 CA THR A 89 2.189 11.767 9.521 1.00 75.21 C ATOM 1349 C THR A 89 3.611 12.368 9.590 1.00 70.43 C ATOM 1350 O THR A 89 4.569 11.667 9.934 1.00 72.33 O ATOM 1351 CB THR A 89 1.695 11.372 10.961 1.00 73.41 C ATOM 1352 OG1 THR A 89 0.405 10.734 10.878 1.00 52.53 O ATOM 1353 CG2 THR A 89 1.597 12.589 11.911 1.00 14.31 C ATOM 0 H THR A 89 2.877 9.889 8.867 1.00 24.21 H new ATOM 0 HA THR A 89 1.503 12.514 9.121 1.00 75.21 H new ATOM 0 HB THR A 89 2.436 10.687 11.374 1.00 73.41 H new ATOM 0 HG1 THR A 89 0.103 10.489 11.777 1.00 52.53 H new ATOM 0 HG21 THR A 89 1.251 12.259 12.891 1.00 14.31 H new ATOM 0 HG22 THR A 89 2.578 13.053 12.010 1.00 14.31 H new ATOM 0 HG23 THR A 89 0.892 13.313 11.503 1.00 14.31 H new ATOM 1361 N ILE A 90 3.736 13.664 9.245 1.00 44.50 N ATOM 1362 CA ILE A 90 5.033 14.371 9.176 1.00 34.22 C ATOM 1363 C ILE A 90 5.091 15.516 10.210 1.00 11.25 C ATOM 1364 O ILE A 90 5.381 15.304 11.395 1.00 73.32 O ATOM 1365 CB ILE A 90 5.273 14.941 7.724 1.00 35.44 C ATOM 1366 CG1 ILE A 90 5.177 13.786 6.666 1.00 71.03 C ATOM 1367 CG2 ILE A 90 6.628 15.685 7.620 1.00 41.42 C ATOM 1368 CD1 ILE A 90 5.468 14.188 5.233 1.00 53.02 C ATOM 0 H ILE A 90 2.939 14.253 9.005 1.00 44.50 H new ATOM 0 HA ILE A 90 5.821 13.655 9.409 1.00 34.22 H new ATOM 0 HB ILE A 90 4.491 15.670 7.513 1.00 35.44 H new ATOM 0 HG12 ILE A 90 5.872 12.996 6.952 1.00 71.03 H new ATOM 0 HG13 ILE A 90 4.175 13.360 6.709 1.00 71.03 H new ATOM 0 HG21 ILE A 90 6.758 16.063 6.606 1.00 41.42 H new ATOM 0 HG22 ILE A 90 6.641 16.518 8.323 1.00 41.42 H new ATOM 0 HG23 ILE A 90 7.440 14.998 7.858 1.00 41.42 H new ATOM 0 HD11 ILE A 90 5.374 13.317 4.585 1.00 53.02 H new ATOM 0 HD12 ILE A 90 4.758 14.953 4.918 1.00 53.02 H new ATOM 0 HD13 ILE A 90 6.481 14.584 5.165 1.00 53.02 H new