USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 596 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 75 TYR OH : rot -41:sc= -0.102 USER MOD Set 1.2: A 79 HIS : no HE2:sc= -1.78 K(o=-1.9,f=-4.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.17 F(o=-1.7,f=-0.17) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -3.96 K(o=-4,f=-10!) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= -1.01 (180deg=-1.06) USER MOD Single : A 28 ASN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.24 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 43 THR OG1 : rot 47:sc= 0.211 USER MOD Single : A 48 MET CE :methyl -108:sc= -1.95 (180deg=-5.17!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -42:sc= 1.21 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 70 GLN :FLIP amide:sc= -1.58 F(o=-2.2,f=-1.6) USER MOD Single : A 77 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.3) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 1.66 K(o=1.7,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.746 0.992 -0.329 1.00 64.03 N ATOM 2 CA GLY A 1 1.839 0.184 -0.838 1.00 5.20 C ATOM 3 C GLY A 1 3.076 1.007 -1.141 1.00 21.21 C ATOM 4 O GLY A 1 3.424 1.917 -0.388 1.00 22.55 O ATOM 0 H1 GLY A 1 -0.076 0.384 -0.137 1.00 64.03 H new ATOM 0 H2 GLY A 1 1.042 1.462 0.551 1.00 64.03 H new ATOM 0 H3 GLY A 1 0.488 1.711 -1.035 1.00 64.03 H new ATOM 0 HA2 GLY A 1 2.088 -0.586 -0.108 1.00 5.20 H new ATOM 0 HA3 GLY A 1 1.516 -0.329 -1.744 1.00 5.20 H new ATOM 8 N ILE A 2 3.742 0.686 -2.245 1.00 2.20 N ATOM 9 CA ILE A 2 4.947 1.402 -2.645 1.00 3.15 C ATOM 10 C ILE A 2 4.730 2.159 -3.950 1.00 73.25 C ATOM 11 O ILE A 2 4.199 1.625 -4.925 1.00 13.52 O ATOM 12 CB ILE A 2 6.142 0.444 -2.812 1.00 54.32 C ATOM 13 CG1 ILE A 2 6.383 -0.336 -1.518 1.00 70.25 C ATOM 14 CG2 ILE A 2 7.389 1.218 -3.211 1.00 3.21 C ATOM 15 CD1 ILE A 2 7.292 -1.532 -1.695 1.00 23.11 C ATOM 0 H ILE A 2 3.468 -0.065 -2.878 1.00 2.20 H new ATOM 0 HA ILE A 2 5.170 2.113 -1.849 1.00 3.15 H new ATOM 0 HB ILE A 2 5.911 -0.267 -3.605 1.00 54.32 H new ATOM 0 HG12 ILE A 2 6.817 0.333 -0.775 1.00 70.25 H new ATOM 0 HG13 ILE A 2 5.425 -0.673 -1.122 1.00 70.25 H new ATOM 0 HG21 ILE A 2 8.225 0.528 -3.325 1.00 3.21 H new ATOM 0 HG22 ILE A 2 7.211 1.732 -4.156 1.00 3.21 H new ATOM 0 HG23 ILE A 2 7.626 1.950 -2.439 1.00 3.21 H new ATOM 0 HD11 ILE A 2 7.419 -2.038 -0.738 1.00 23.11 H new ATOM 0 HD12 ILE A 2 6.850 -2.222 -2.414 1.00 23.11 H new ATOM 0 HD13 ILE A 2 8.263 -1.200 -2.061 1.00 23.11 H new ATOM 27 N PRO A 3 5.151 3.432 -3.974 1.00 11.12 N ATOM 28 CA PRO A 3 5.015 4.289 -5.155 1.00 40.31 C ATOM 29 C PRO A 3 5.937 3.861 -6.291 1.00 61.35 C ATOM 30 O PRO A 3 6.728 2.928 -6.145 1.00 32.32 O ATOM 31 CB PRO A 3 5.413 5.673 -4.637 1.00 0.43 C ATOM 32 CG PRO A 3 6.304 5.401 -3.474 1.00 63.35 C ATOM 33 CD PRO A 3 5.793 4.133 -2.849 1.00 34.32 C ATOM 0 HA PRO A 3 4.010 4.248 -5.574 1.00 40.31 H new ATOM 0 HB2 PRO A 3 5.929 6.250 -5.405 1.00 0.43 H new ATOM 0 HB3 PRO A 3 4.538 6.251 -4.339 1.00 0.43 H new ATOM 0 HG2 PRO A 3 7.340 5.289 -3.794 1.00 63.35 H new ATOM 0 HG3 PRO A 3 6.278 6.225 -2.761 1.00 63.35 H new ATOM 0 HD2 PRO A 3 6.602 3.544 -2.417 1.00 34.32 H new ATOM 0 HD3 PRO A 3 5.085 4.338 -2.046 1.00 34.32 H new ATOM 41 N LEU A 4 5.831 4.547 -7.424 1.00 3.22 N ATOM 42 CA LEU A 4 6.657 4.238 -8.586 1.00 73.21 C ATOM 43 C LEU A 4 7.871 5.158 -8.652 1.00 25.01 C ATOM 44 O LEU A 4 8.398 5.431 -9.730 1.00 41.15 O ATOM 45 CB LEU A 4 5.834 4.367 -9.869 1.00 43.44 C ATOM 46 CG LEU A 4 4.332 4.115 -9.732 1.00 44.44 C ATOM 47 CD1 LEU A 4 3.594 5.419 -9.469 1.00 62.32 C ATOM 48 CD2 LEU A 4 3.790 3.436 -10.981 1.00 34.40 C ATOM 0 H LEU A 4 5.181 5.321 -7.563 1.00 3.22 H new ATOM 0 HA LEU A 4 7.009 3.211 -8.488 1.00 73.21 H new ATOM 0 HB2 LEU A 4 5.979 5.370 -10.270 1.00 43.44 H new ATOM 0 HB3 LEU A 4 6.233 3.669 -10.605 1.00 43.44 H new ATOM 0 HG LEU A 4 4.170 3.452 -8.882 1.00 44.44 H new ATOM 0 HD11 LEU A 4 2.526 5.220 -9.374 1.00 62.32 H new ATOM 0 HD12 LEU A 4 3.963 5.866 -8.546 1.00 62.32 H new ATOM 0 HD13 LEU A 4 3.763 6.106 -10.298 1.00 62.32 H new ATOM 0 HD21 LEU A 4 2.720 3.264 -10.866 1.00 34.40 H new ATOM 0 HD22 LEU A 4 3.964 4.075 -11.847 1.00 34.40 H new ATOM 0 HD23 LEU A 4 4.297 2.482 -11.126 1.00 34.40 H new ATOM 60 N SER A 5 8.312 5.631 -7.491 1.00 4.42 N ATOM 61 CA SER A 5 9.464 6.522 -7.416 1.00 45.25 C ATOM 62 C SER A 5 10.484 6.009 -6.404 1.00 34.02 C ATOM 63 O SER A 5 11.686 6.009 -6.663 1.00 2.13 O ATOM 64 CB SER A 5 9.019 7.936 -7.037 1.00 61.12 C ATOM 65 OG SER A 5 8.326 8.556 -8.106 1.00 53.21 O ATOM 0 H SER A 5 7.889 5.412 -6.589 1.00 4.42 H new ATOM 0 HA SER A 5 9.935 6.548 -8.399 1.00 45.25 H new ATOM 0 HB2 SER A 5 8.376 7.895 -6.158 1.00 61.12 H new ATOM 0 HB3 SER A 5 9.889 8.535 -6.768 1.00 61.12 H new ATOM 0 HG SER A 5 8.051 9.458 -7.838 1.00 53.21 H new ATOM 71 N ASN A 6 9.992 5.572 -5.249 1.00 22.12 N ATOM 72 CA ASN A 6 10.859 5.056 -4.196 1.00 2.14 C ATOM 73 C ASN A 6 11.743 3.929 -4.722 1.00 33.04 C ATOM 74 O ASN A 6 12.969 3.998 -4.639 1.00 3.21 O ATOM 75 CB ASN A 6 10.022 4.555 -3.017 1.00 1.32 C ATOM 76 CG ASN A 6 10.812 4.514 -1.723 1.00 0.00 C ATOM 77 OD1 ASN A 6 11.798 3.626 -1.660 1.00 22.33 O flip ATOM 78 ND2 ASN A 6 10.539 5.272 -0.792 1.00 14.33 N flip ATOM 0 H ASN A 6 8.998 5.565 -5.019 1.00 22.12 H new ATOM 0 HA ASN A 6 11.501 5.869 -3.858 1.00 2.14 H new ATOM 0 HB2 ASN A 6 9.155 5.203 -2.890 1.00 1.32 H new ATOM 0 HB3 ASN A 6 9.645 3.557 -3.241 1.00 1.32 H new ATOM 0 HD21 ASN A 6 9.773 5.939 -0.885 1.00 14.33 H new ATOM 0 HD22 ASN A 6 11.079 5.233 0.072 1.00 14.33 H new ATOM 85 N ILE A 7 11.111 2.893 -5.263 1.00 32.24 N ATOM 86 CA ILE A 7 11.839 1.752 -5.804 1.00 3.15 C ATOM 87 C ILE A 7 12.864 2.196 -6.842 1.00 53.31 C ATOM 88 O ILE A 7 13.981 1.682 -6.886 1.00 35.34 O ATOM 89 CB ILE A 7 10.885 0.728 -6.446 1.00 21.24 C ATOM 90 CG1 ILE A 7 10.009 0.074 -5.375 1.00 60.42 C ATOM 91 CG2 ILE A 7 11.674 -0.326 -7.208 1.00 43.45 C ATOM 92 CD1 ILE A 7 8.713 -0.489 -5.916 1.00 1.21 C ATOM 0 H ILE A 7 10.096 2.820 -5.338 1.00 32.24 H new ATOM 0 HA ILE A 7 12.354 1.281 -4.967 1.00 3.15 H new ATOM 0 HB ILE A 7 10.237 1.249 -7.151 1.00 21.24 H new ATOM 0 HG12 ILE A 7 10.572 -0.727 -4.896 1.00 60.42 H new ATOM 0 HG13 ILE A 7 9.782 0.810 -4.603 1.00 60.42 H new ATOM 0 HG21 ILE A 7 10.986 -1.043 -7.656 1.00 43.45 H new ATOM 0 HG22 ILE A 7 12.259 0.154 -7.992 1.00 43.45 H new ATOM 0 HG23 ILE A 7 12.343 -0.846 -6.522 1.00 43.45 H new ATOM 0 HD11 ILE A 7 8.143 -0.937 -5.102 1.00 1.21 H new ATOM 0 HD12 ILE A 7 8.130 0.312 -6.370 1.00 1.21 H new ATOM 0 HD13 ILE A 7 8.932 -1.249 -6.667 1.00 1.21 H new ATOM 104 N GLU A 8 12.475 3.156 -7.676 1.00 2.44 N ATOM 105 CA GLU A 8 13.361 3.671 -8.713 1.00 61.45 C ATOM 106 C GLU A 8 14.689 4.129 -8.117 1.00 61.34 C ATOM 107 O GLU A 8 15.748 3.607 -8.463 1.00 65.10 O ATOM 108 CB GLU A 8 12.695 4.832 -9.455 1.00 33.53 C ATOM 109 CG GLU A 8 13.500 5.340 -10.638 1.00 41.34 C ATOM 110 CD GLU A 8 12.871 6.555 -11.293 1.00 61.33 C ATOM 111 OE1 GLU A 8 11.794 6.405 -11.907 1.00 53.43 O ATOM 112 OE2 GLU A 8 13.456 7.653 -11.192 1.00 55.44 O ATOM 0 H GLU A 8 11.553 3.592 -7.653 1.00 2.44 H new ATOM 0 HA GLU A 8 13.558 2.864 -9.419 1.00 61.45 H new ATOM 0 HB2 GLU A 8 11.713 4.513 -9.805 1.00 33.53 H new ATOM 0 HB3 GLU A 8 12.533 5.653 -8.757 1.00 33.53 H new ATOM 0 HG2 GLU A 8 14.507 5.591 -10.306 1.00 41.34 H new ATOM 0 HG3 GLU A 8 13.597 4.543 -11.376 1.00 41.34 H new ATOM 119 N GLU A 9 14.622 5.108 -7.221 1.00 22.12 N ATOM 120 CA GLU A 9 15.819 5.637 -6.578 1.00 43.20 C ATOM 121 C GLU A 9 16.561 4.539 -5.821 1.00 13.44 C ATOM 122 O GLU A 9 17.789 4.467 -5.857 1.00 22.41 O ATOM 123 CB GLU A 9 15.451 6.773 -5.621 1.00 44.11 C ATOM 124 CG GLU A 9 16.612 7.244 -4.761 1.00 31.03 C ATOM 125 CD GLU A 9 16.332 8.569 -4.078 1.00 31.53 C ATOM 126 OE1 GLU A 9 16.138 9.575 -4.791 1.00 11.04 O ATOM 127 OE2 GLU A 9 16.307 8.598 -2.829 1.00 74.23 O ATOM 0 H GLU A 9 13.752 5.551 -6.924 1.00 22.12 H new ATOM 0 HA GLU A 9 16.476 6.026 -7.356 1.00 43.20 H new ATOM 0 HB2 GLU A 9 15.073 7.616 -6.199 1.00 44.11 H new ATOM 0 HB3 GLU A 9 14.640 6.442 -4.972 1.00 44.11 H new ATOM 0 HG2 GLU A 9 16.830 6.489 -4.006 1.00 31.03 H new ATOM 0 HG3 GLU A 9 17.503 7.340 -5.381 1.00 31.03 H new ATOM 134 N ARG A 10 15.805 3.688 -5.135 1.00 21.11 N ATOM 135 CA ARG A 10 16.390 2.595 -4.367 1.00 73.02 C ATOM 136 C ARG A 10 17.215 1.679 -5.267 1.00 11.34 C ATOM 137 O ARG A 10 18.434 1.586 -5.124 1.00 42.44 O ATOM 138 CB ARG A 10 15.292 1.789 -3.670 1.00 61.12 C ATOM 139 CG ARG A 10 14.881 2.358 -2.322 1.00 64.10 C ATOM 140 CD ARG A 10 15.482 1.561 -1.175 1.00 2.14 C ATOM 141 NE ARG A 10 16.845 1.986 -0.868 1.00 3.12 N ATOM 142 CZ ARG A 10 17.447 1.744 0.291 1.00 24.31 C ATOM 143 NH1 ARG A 10 16.810 1.082 1.247 1.00 3.34 N ATOM 144 NH2 ARG A 10 18.690 2.163 0.495 1.00 32.32 N ATOM 0 H ARG A 10 14.787 3.734 -5.095 1.00 21.11 H new ATOM 0 HA ARG A 10 17.050 3.025 -3.613 1.00 73.02 H new ATOM 0 HB2 ARG A 10 14.417 1.746 -4.319 1.00 61.12 H new ATOM 0 HB3 ARG A 10 15.637 0.764 -3.532 1.00 61.12 H new ATOM 0 HG2 ARG A 10 15.201 3.397 -2.252 1.00 64.10 H new ATOM 0 HG3 ARG A 10 13.794 2.353 -2.240 1.00 64.10 H new ATOM 0 HD2 ARG A 10 14.858 1.675 -0.288 1.00 2.14 H new ATOM 0 HD3 ARG A 10 15.482 0.501 -1.431 1.00 2.14 H new ATOM 0 HE ARG A 10 17.363 2.497 -1.583 1.00 3.12 H new ATOM 0 HH11 ARG A 10 15.855 0.757 1.093 1.00 3.34 H new ATOM 0 HH12 ARG A 10 17.275 0.897 2.136 1.00 3.34 H new ATOM 0 HH21 ARG A 10 19.184 2.671 -0.239 1.00 32.32 H new ATOM 0 HH22 ARG A 10 19.151 1.977 1.385 1.00 32.32 H new ATOM 158 N VAL A 11 16.541 1.004 -6.193 1.00 3.14 N ATOM 159 CA VAL A 11 17.212 0.096 -7.116 1.00 14.23 C ATOM 160 C VAL A 11 18.437 0.754 -7.741 1.00 33.21 C ATOM 161 O VAL A 11 19.484 0.124 -7.893 1.00 11.23 O ATOM 162 CB VAL A 11 16.262 -0.366 -8.237 1.00 62.00 C ATOM 163 CG1 VAL A 11 16.946 -1.394 -9.126 1.00 12.12 C ATOM 164 CG2 VAL A 11 14.977 -0.928 -7.648 1.00 62.44 C ATOM 0 H VAL A 11 15.532 1.069 -6.324 1.00 3.14 H new ATOM 0 HA VAL A 11 17.526 -0.771 -6.536 1.00 14.23 H new ATOM 0 HB VAL A 11 16.005 0.497 -8.852 1.00 62.00 H new ATOM 0 HG11 VAL A 11 16.260 -1.709 -9.912 1.00 12.12 H new ATOM 0 HG12 VAL A 11 17.835 -0.952 -9.576 1.00 12.12 H new ATOM 0 HG13 VAL A 11 17.234 -2.259 -8.528 1.00 12.12 H new ATOM 0 HG21 VAL A 11 14.317 -1.250 -8.454 1.00 62.44 H new ATOM 0 HG22 VAL A 11 15.211 -1.780 -7.009 1.00 62.44 H new ATOM 0 HG23 VAL A 11 14.480 -0.158 -7.058 1.00 62.44 H new ATOM 174 N LYS A 12 18.299 2.025 -8.102 1.00 4.10 N ATOM 175 CA LYS A 12 19.395 2.771 -8.710 1.00 30.04 C ATOM 176 C LYS A 12 20.603 2.818 -7.779 1.00 51.14 C ATOM 177 O LYS A 12 21.744 2.673 -8.218 1.00 71.45 O ATOM 178 CB LYS A 12 18.944 4.193 -9.050 1.00 0.33 C ATOM 179 CG LYS A 12 18.622 4.394 -10.520 1.00 43.14 C ATOM 180 CD LYS A 12 17.322 3.709 -10.905 1.00 60.35 C ATOM 181 CE LYS A 12 17.224 3.504 -12.409 1.00 60.24 C ATOM 182 NZ LYS A 12 16.578 4.662 -13.086 1.00 52.41 N ATOM 0 H LYS A 12 17.439 2.560 -7.984 1.00 4.10 H new ATOM 0 HA LYS A 12 19.685 2.259 -9.628 1.00 30.04 H new ATOM 0 HB2 LYS A 12 18.063 4.437 -8.457 1.00 0.33 H new ATOM 0 HB3 LYS A 12 19.727 4.893 -8.759 1.00 0.33 H new ATOM 0 HG2 LYS A 12 18.550 5.460 -10.735 1.00 43.14 H new ATOM 0 HG3 LYS A 12 19.436 4.000 -11.129 1.00 43.14 H new ATOM 0 HD2 LYS A 12 17.254 2.745 -10.400 1.00 60.35 H new ATOM 0 HD3 LYS A 12 16.478 4.308 -10.563 1.00 60.35 H new ATOM 0 HE2 LYS A 12 18.222 3.353 -12.821 1.00 60.24 H new ATOM 0 HE3 LYS A 12 16.654 2.598 -12.616 1.00 60.24 H new ATOM 0 HZ1 LYS A 12 16.530 4.483 -14.109 1.00 52.41 H new ATOM 0 HZ2 LYS A 12 15.616 4.791 -12.712 1.00 52.41 H new ATOM 0 HZ3 LYS A 12 17.136 5.522 -12.910 1.00 52.41 H new ATOM 196 N LYS A 13 20.345 3.021 -6.492 1.00 31.11 N ATOM 197 CA LYS A 13 21.410 3.084 -5.498 1.00 41.33 C ATOM 198 C LYS A 13 22.122 1.741 -5.377 1.00 70.32 C ATOM 199 O LYS A 13 23.336 1.687 -5.178 1.00 60.14 O ATOM 200 CB LYS A 13 20.843 3.497 -4.138 1.00 40.42 C ATOM 201 CG LYS A 13 21.852 3.410 -3.007 1.00 4.35 C ATOM 202 CD LYS A 13 21.276 3.938 -1.704 1.00 1.55 C ATOM 203 CE LYS A 13 21.191 5.457 -1.707 1.00 12.11 C ATOM 204 NZ LYS A 13 21.412 6.028 -0.350 1.00 4.14 N ATOM 0 H LYS A 13 19.406 3.145 -6.112 1.00 31.11 H new ATOM 0 HA LYS A 13 22.134 3.831 -5.825 1.00 41.33 H new ATOM 0 HB2 LYS A 13 20.471 4.519 -4.204 1.00 40.42 H new ATOM 0 HB3 LYS A 13 19.989 2.862 -3.902 1.00 40.42 H new ATOM 0 HG2 LYS A 13 22.163 2.374 -2.875 1.00 4.35 H new ATOM 0 HG3 LYS A 13 22.744 3.980 -3.269 1.00 4.35 H new ATOM 0 HD2 LYS A 13 20.283 3.517 -1.547 1.00 1.55 H new ATOM 0 HD3 LYS A 13 21.897 3.609 -0.871 1.00 1.55 H new ATOM 0 HE2 LYS A 13 21.933 5.861 -2.396 1.00 12.11 H new ATOM 0 HE3 LYS A 13 20.213 5.765 -2.076 1.00 12.11 H new ATOM 0 HZ1 LYS A 13 21.346 7.065 -0.395 1.00 4.14 H new ATOM 0 HZ2 LYS A 13 20.689 5.663 0.302 1.00 4.14 H new ATOM 0 HZ3 LYS A 13 22.356 5.756 -0.008 1.00 4.14 H new ATOM 218 N ILE A 14 21.360 0.659 -5.500 1.00 13.33 N ATOM 219 CA ILE A 14 21.919 -0.683 -5.407 1.00 20.55 C ATOM 220 C ILE A 14 22.911 -0.945 -6.535 1.00 21.34 C ATOM 221 O ILE A 14 24.025 -1.415 -6.299 1.00 34.12 O ATOM 222 CB ILE A 14 20.816 -1.757 -5.449 1.00 33.11 C ATOM 223 CG1 ILE A 14 19.670 -1.380 -4.508 1.00 1.35 C ATOM 224 CG2 ILE A 14 21.386 -3.118 -5.079 1.00 3.14 C ATOM 225 CD1 ILE A 14 20.131 -0.987 -3.122 1.00 4.34 C ATOM 0 H ILE A 14 20.354 0.686 -5.664 1.00 13.33 H new ATOM 0 HA ILE A 14 22.437 -0.743 -4.450 1.00 20.55 H new ATOM 0 HB ILE A 14 20.424 -1.813 -6.464 1.00 33.11 H new ATOM 0 HG12 ILE A 14 19.110 -0.553 -4.944 1.00 1.35 H new ATOM 0 HG13 ILE A 14 18.984 -2.223 -4.428 1.00 1.35 H new ATOM 0 HG21 ILE A 14 20.594 -3.866 -5.113 1.00 3.14 H new ATOM 0 HG22 ILE A 14 22.171 -3.388 -5.786 1.00 3.14 H new ATOM 0 HG23 ILE A 14 21.802 -3.077 -4.073 1.00 3.14 H new ATOM 0 HD11 ILE A 14 19.266 -0.733 -2.509 1.00 4.34 H new ATOM 0 HD12 ILE A 14 20.666 -1.820 -2.666 1.00 4.34 H new ATOM 0 HD13 ILE A 14 20.794 -0.124 -3.190 1.00 4.34 H new ATOM 237 N ILE A 15 22.500 -0.637 -7.760 1.00 2.41 N ATOM 238 CA ILE A 15 23.354 -0.836 -8.924 1.00 41.33 C ATOM 239 C ILE A 15 24.555 0.103 -8.892 1.00 41.43 C ATOM 240 O ILE A 15 25.666 -0.280 -9.258 1.00 4.21 O ATOM 241 CB ILE A 15 22.578 -0.614 -10.236 1.00 61.10 C ATOM 242 CG1 ILE A 15 21.436 -1.625 -10.356 1.00 21.43 C ATOM 243 CG2 ILE A 15 23.515 -0.721 -11.430 1.00 52.11 C ATOM 244 CD1 ILE A 15 20.124 -1.007 -10.785 1.00 61.35 C ATOM 0 H ILE A 15 21.581 -0.249 -7.972 1.00 2.41 H new ATOM 0 HA ILE A 15 23.702 -1.868 -8.887 1.00 41.33 H new ATOM 0 HB ILE A 15 22.151 0.389 -10.223 1.00 61.10 H new ATOM 0 HG12 ILE A 15 21.717 -2.395 -11.074 1.00 21.43 H new ATOM 0 HG13 ILE A 15 21.298 -2.120 -9.395 1.00 21.43 H new ATOM 0 HG21 ILE A 15 22.952 -0.562 -12.350 1.00 52.11 H new ATOM 0 HG22 ILE A 15 24.297 0.034 -11.348 1.00 52.11 H new ATOM 0 HG23 ILE A 15 23.968 -1.712 -11.449 1.00 52.11 H new ATOM 0 HD11 ILE A 15 19.360 -1.782 -10.849 1.00 61.35 H new ATOM 0 HD12 ILE A 15 19.819 -0.257 -10.055 1.00 61.35 H new ATOM 0 HD13 ILE A 15 20.245 -0.536 -11.760 1.00 61.35 H new ATOM 256 N VAL A 16 24.324 1.336 -8.451 1.00 22.23 N ATOM 257 CA VAL A 16 25.388 2.330 -8.368 1.00 35.24 C ATOM 258 C VAL A 16 26.332 2.029 -7.210 1.00 21.44 C ATOM 259 O VAL A 16 27.488 2.449 -7.214 1.00 4.40 O ATOM 260 CB VAL A 16 24.816 3.750 -8.194 1.00 22.42 C ATOM 261 CG1 VAL A 16 25.939 4.758 -8.005 1.00 23.23 C ATOM 262 CG2 VAL A 16 23.948 4.124 -9.386 1.00 31.45 C ATOM 0 H VAL A 16 23.410 1.670 -8.146 1.00 22.23 H new ATOM 0 HA VAL A 16 25.941 2.281 -9.306 1.00 35.24 H new ATOM 0 HB VAL A 16 24.192 3.765 -7.300 1.00 22.42 H new ATOM 0 HG11 VAL A 16 25.516 5.755 -7.884 1.00 23.23 H new ATOM 0 HG12 VAL A 16 26.516 4.498 -7.117 1.00 23.23 H new ATOM 0 HG13 VAL A 16 26.591 4.744 -8.878 1.00 23.23 H new ATOM 0 HG21 VAL A 16 23.552 5.130 -9.246 1.00 31.45 H new ATOM 0 HG22 VAL A 16 24.547 4.093 -10.296 1.00 31.45 H new ATOM 0 HG23 VAL A 16 23.122 3.418 -9.471 1.00 31.45 H new ATOM 272 N GLU A 17 25.831 1.297 -6.219 1.00 60.02 N ATOM 273 CA GLU A 17 26.631 0.940 -5.054 1.00 23.33 C ATOM 274 C GLU A 17 27.417 -0.344 -5.306 1.00 42.30 C ATOM 275 O GLU A 17 28.468 -0.568 -4.706 1.00 12.34 O ATOM 276 CB GLU A 17 25.735 0.769 -3.825 1.00 64.01 C ATOM 277 CG GLU A 17 25.380 2.080 -3.144 1.00 74.13 C ATOM 278 CD GLU A 17 24.433 1.892 -1.975 1.00 22.34 C ATOM 279 OE1 GLU A 17 23.678 0.897 -1.978 1.00 14.33 O ATOM 280 OE2 GLU A 17 24.448 2.738 -1.057 1.00 13.22 O ATOM 0 H GLU A 17 24.876 0.940 -6.200 1.00 60.02 H new ATOM 0 HA GLU A 17 27.338 1.749 -4.870 1.00 23.33 H new ATOM 0 HB2 GLU A 17 24.816 0.264 -4.123 1.00 64.01 H new ATOM 0 HB3 GLU A 17 26.237 0.121 -3.107 1.00 64.01 H new ATOM 0 HG2 GLU A 17 26.293 2.562 -2.794 1.00 74.13 H new ATOM 0 HG3 GLU A 17 24.924 2.751 -3.872 1.00 74.13 H new ATOM 287 N GLN A 18 26.899 -1.182 -6.198 1.00 23.12 N ATOM 288 CA GLN A 18 27.552 -2.444 -6.529 1.00 14.54 C ATOM 289 C GLN A 18 28.534 -2.263 -7.681 1.00 1.50 C ATOM 290 O GLN A 18 29.745 -2.405 -7.507 1.00 21.14 O ATOM 291 CB GLN A 18 26.508 -3.501 -6.893 1.00 65.24 C ATOM 292 CG GLN A 18 26.173 -4.444 -5.750 1.00 33.45 C ATOM 293 CD GLN A 18 24.752 -4.968 -5.823 1.00 31.20 C ATOM 294 OE1 GLN A 18 24.363 -5.605 -6.802 1.00 73.22 O ATOM 295 NE2 GLN A 18 23.968 -4.702 -4.785 1.00 22.25 N ATOM 0 H GLN A 18 26.030 -1.011 -6.704 1.00 23.12 H new ATOM 0 HA GLN A 18 28.107 -2.778 -5.653 1.00 14.54 H new ATOM 0 HB2 GLN A 18 25.596 -3.001 -7.220 1.00 65.24 H new ATOM 0 HB3 GLN A 18 26.873 -4.084 -7.739 1.00 65.24 H new ATOM 0 HG2 GLN A 18 26.867 -5.284 -5.762 1.00 33.45 H new ATOM 0 HG3 GLN A 18 26.317 -3.925 -4.802 1.00 33.45 H new ATOM 0 HE21 GLN A 18 24.332 -4.170 -3.994 1.00 22.25 H new ATOM 0 HE22 GLN A 18 23.002 -5.029 -4.778 1.00 22.25 H new ATOM 304 N LEU A 19 28.006 -1.948 -8.858 1.00 75.24 N ATOM 305 CA LEU A 19 28.836 -1.748 -10.041 1.00 0.31 C ATOM 306 C LEU A 19 29.873 -0.656 -9.799 1.00 50.53 C ATOM 307 O LEU A 19 31.056 -0.835 -10.085 1.00 2.52 O ATOM 308 CB LEU A 19 27.965 -1.383 -11.244 1.00 50.42 C ATOM 309 CG LEU A 19 27.275 -2.549 -11.952 1.00 32.31 C ATOM 310 CD1 LEU A 19 26.277 -3.223 -11.022 1.00 45.12 C ATOM 311 CD2 LEU A 19 26.585 -2.070 -13.221 1.00 34.33 C ATOM 0 H LEU A 19 27.006 -1.825 -9.019 1.00 75.24 H new ATOM 0 HA LEU A 19 29.359 -2.681 -10.250 1.00 0.31 H new ATOM 0 HB2 LEU A 19 27.200 -0.681 -10.913 1.00 50.42 H new ATOM 0 HB3 LEU A 19 28.586 -0.859 -11.971 1.00 50.42 H new ATOM 0 HG LEU A 19 28.034 -3.281 -12.229 1.00 32.31 H new ATOM 0 HD11 LEU A 19 25.796 -4.051 -11.543 1.00 45.12 H new ATOM 0 HD12 LEU A 19 26.798 -3.602 -10.142 1.00 45.12 H new ATOM 0 HD13 LEU A 19 25.522 -2.500 -10.713 1.00 45.12 H new ATOM 0 HD21 LEU A 19 26.099 -2.913 -13.712 1.00 34.33 H new ATOM 0 HD22 LEU A 19 25.838 -1.318 -12.967 1.00 34.33 H new ATOM 0 HD23 LEU A 19 27.323 -1.635 -13.894 1.00 34.33 H new ATOM 323 N GLY A 20 29.420 0.477 -9.269 1.00 22.41 N ATOM 324 CA GLY A 20 30.322 1.580 -8.996 1.00 12.45 C ATOM 325 C GLY A 20 30.119 2.743 -9.946 1.00 44.53 C ATOM 326 O GLY A 20 30.590 3.852 -9.691 1.00 55.34 O ATOM 0 H GLY A 20 28.445 0.650 -9.024 1.00 22.41 H new ATOM 0 HA2 GLY A 20 30.174 1.922 -7.972 1.00 12.45 H new ATOM 0 HA3 GLY A 20 31.352 1.230 -9.070 1.00 12.45 H new ATOM 330 N VAL A 21 29.419 2.491 -11.047 1.00 72.34 N ATOM 331 CA VAL A 21 29.156 3.525 -12.040 1.00 53.44 C ATOM 332 C VAL A 21 28.417 4.707 -11.421 1.00 23.41 C ATOM 333 O VAL A 21 28.182 4.741 -10.213 1.00 24.42 O ATOM 334 CB VAL A 21 28.327 2.976 -13.217 1.00 44.31 C ATOM 335 CG1 VAL A 21 29.073 1.849 -13.915 1.00 42.33 C ATOM 336 CG2 VAL A 21 26.964 2.506 -12.734 1.00 72.44 C ATOM 0 H VAL A 21 29.023 1.579 -11.274 1.00 72.34 H new ATOM 0 HA VAL A 21 30.125 3.859 -12.412 1.00 53.44 H new ATOM 0 HB VAL A 21 28.174 3.779 -13.938 1.00 44.31 H new ATOM 0 HG11 VAL A 21 28.472 1.474 -14.744 1.00 42.33 H new ATOM 0 HG12 VAL A 21 30.023 2.223 -14.296 1.00 42.33 H new ATOM 0 HG13 VAL A 21 29.259 1.042 -13.206 1.00 42.33 H new ATOM 0 HG21 VAL A 21 26.392 2.121 -13.578 1.00 72.44 H new ATOM 0 HG22 VAL A 21 27.093 1.717 -11.993 1.00 72.44 H new ATOM 0 HG23 VAL A 21 26.429 3.342 -12.284 1.00 72.44 H new ATOM 346 N ASP A 22 28.053 5.673 -12.256 1.00 43.31 N ATOM 347 CA ASP A 22 27.339 6.857 -11.791 1.00 64.10 C ATOM 348 C ASP A 22 25.835 6.694 -11.982 1.00 73.03 C ATOM 349 O ASP A 22 25.385 6.095 -12.959 1.00 24.24 O ATOM 350 CB ASP A 22 27.829 8.100 -12.536 1.00 22.40 C ATOM 351 CG ASP A 22 27.396 9.387 -11.862 1.00 71.23 C ATOM 352 OD1 ASP A 22 26.835 9.314 -10.748 1.00 43.35 O ATOM 353 OD2 ASP A 22 27.618 10.467 -12.448 1.00 62.44 O ATOM 0 H ASP A 22 28.240 5.660 -13.259 1.00 43.31 H new ATOM 0 HA ASP A 22 27.541 6.978 -10.727 1.00 64.10 H new ATOM 0 HB2 ASP A 22 28.917 8.076 -12.601 1.00 22.40 H new ATOM 0 HB3 ASP A 22 27.448 8.082 -13.557 1.00 22.40 H new ATOM 358 N GLU A 23 25.062 7.231 -11.043 1.00 22.41 N ATOM 359 CA GLU A 23 23.608 7.142 -11.108 1.00 42.41 C ATOM 360 C GLU A 23 23.073 7.872 -12.337 1.00 4.21 C ATOM 361 O GLU A 23 21.929 7.671 -12.742 1.00 40.11 O ATOM 362 CB GLU A 23 22.982 7.728 -9.841 1.00 1.22 C ATOM 363 CG GLU A 23 23.238 9.216 -9.667 1.00 62.21 C ATOM 364 CD GLU A 23 22.750 9.740 -8.330 1.00 61.34 C ATOM 365 OE1 GLU A 23 23.156 9.181 -7.290 1.00 14.42 O ATOM 366 OE2 GLU A 23 21.962 10.709 -8.326 1.00 23.23 O ATOM 0 H GLU A 23 25.418 7.732 -10.229 1.00 22.41 H new ATOM 0 HA GLU A 23 23.337 6.089 -11.185 1.00 42.41 H new ATOM 0 HB2 GLU A 23 21.906 7.553 -9.863 1.00 1.22 H new ATOM 0 HB3 GLU A 23 23.373 7.197 -8.973 1.00 1.22 H new ATOM 0 HG2 GLU A 23 24.306 9.410 -9.761 1.00 62.21 H new ATOM 0 HG3 GLU A 23 22.743 9.762 -10.470 1.00 62.21 H new ATOM 373 N ALA A 24 23.910 8.721 -12.925 1.00 25.24 N ATOM 374 CA ALA A 24 23.523 9.480 -14.107 1.00 64.34 C ATOM 375 C ALA A 24 23.673 8.640 -15.372 1.00 15.05 C ATOM 376 O ALA A 24 23.094 8.958 -16.410 1.00 31.11 O ATOM 377 CB ALA A 24 24.354 10.750 -14.214 1.00 51.24 C ATOM 0 H ALA A 24 24.861 8.900 -12.601 1.00 25.24 H new ATOM 0 HA ALA A 24 22.473 9.753 -14.005 1.00 64.34 H new ATOM 0 HB1 ALA A 24 24.054 11.307 -15.102 1.00 51.24 H new ATOM 0 HB2 ALA A 24 24.194 11.365 -13.328 1.00 51.24 H new ATOM 0 HB3 ALA A 24 25.410 10.489 -14.289 1.00 51.24 H new ATOM 383 N GLU A 25 24.452 7.568 -15.276 1.00 24.33 N ATOM 384 CA GLU A 25 24.678 6.684 -16.413 1.00 71.23 C ATOM 385 C GLU A 25 23.789 5.446 -16.325 1.00 44.33 C ATOM 386 O GLU A 25 24.236 4.328 -16.581 1.00 42.01 O ATOM 387 CB GLU A 25 26.148 6.266 -16.479 1.00 63.22 C ATOM 388 CG GLU A 25 27.113 7.439 -16.537 1.00 34.30 C ATOM 389 CD GLU A 25 26.959 8.258 -17.803 1.00 52.44 C ATOM 390 OE1 GLU A 25 27.258 7.727 -18.893 1.00 74.33 O ATOM 391 OE2 GLU A 25 26.540 9.431 -17.705 1.00 23.31 O ATOM 0 H GLU A 25 24.937 7.291 -14.423 1.00 24.33 H new ATOM 0 HA GLU A 25 24.422 7.230 -17.321 1.00 71.23 H new ATOM 0 HB2 GLU A 25 26.383 5.656 -15.607 1.00 63.22 H new ATOM 0 HB3 GLU A 25 26.299 5.638 -17.357 1.00 63.22 H new ATOM 0 HG2 GLU A 25 26.951 8.081 -15.671 1.00 34.30 H new ATOM 0 HG3 GLU A 25 28.136 7.067 -16.471 1.00 34.30 H new ATOM 398 N VAL A 26 22.528 5.655 -15.961 1.00 3.22 N ATOM 399 CA VAL A 26 21.576 4.558 -15.839 1.00 71.10 C ATOM 400 C VAL A 26 20.276 4.875 -16.569 1.00 53.11 C ATOM 401 O VAL A 26 19.913 6.040 -16.738 1.00 64.31 O ATOM 402 CB VAL A 26 21.261 4.249 -14.363 1.00 41.13 C ATOM 403 CG1 VAL A 26 20.467 5.385 -13.737 1.00 52.45 C ATOM 404 CG2 VAL A 26 20.509 2.933 -14.244 1.00 35.53 C ATOM 0 H VAL A 26 22.142 6.574 -15.745 1.00 3.22 H new ATOM 0 HA VAL A 26 22.041 3.684 -16.294 1.00 71.10 H new ATOM 0 HB VAL A 26 22.202 4.154 -13.821 1.00 41.13 H new ATOM 0 HG11 VAL A 26 20.254 5.149 -12.694 1.00 52.45 H new ATOM 0 HG12 VAL A 26 21.047 6.306 -13.789 1.00 52.45 H new ATOM 0 HG13 VAL A 26 19.530 5.515 -14.278 1.00 52.45 H new ATOM 0 HG21 VAL A 26 20.295 2.730 -13.195 1.00 35.53 H new ATOM 0 HG22 VAL A 26 19.574 2.997 -14.800 1.00 35.53 H new ATOM 0 HG23 VAL A 26 21.119 2.127 -14.652 1.00 35.53 H new ATOM 414 N LYS A 27 19.576 3.831 -17.000 1.00 51.23 N ATOM 415 CA LYS A 27 18.314 3.997 -17.711 1.00 73.43 C ATOM 416 C LYS A 27 17.434 2.761 -17.553 1.00 31.43 C ATOM 417 O LYS A 27 17.922 1.677 -17.235 1.00 73.12 O ATOM 418 CB LYS A 27 18.572 4.265 -19.196 1.00 22.43 C ATOM 419 CG LYS A 27 19.439 3.211 -19.862 1.00 63.41 C ATOM 420 CD LYS A 27 20.365 3.824 -20.899 1.00 50.21 C ATOM 421 CE LYS A 27 19.607 4.226 -22.155 1.00 14.53 C ATOM 422 NZ LYS A 27 19.612 3.143 -23.177 1.00 15.34 N ATOM 0 H LYS A 27 19.862 2.861 -16.869 1.00 51.23 H new ATOM 0 HA LYS A 27 17.793 4.851 -17.279 1.00 73.43 H new ATOM 0 HB2 LYS A 27 17.617 4.321 -19.718 1.00 22.43 H new ATOM 0 HB3 LYS A 27 19.051 5.238 -19.303 1.00 22.43 H new ATOM 0 HG2 LYS A 27 20.030 2.694 -19.106 1.00 63.41 H new ATOM 0 HG3 LYS A 27 18.804 2.463 -20.337 1.00 63.41 H new ATOM 0 HD2 LYS A 27 20.859 4.698 -20.475 1.00 50.21 H new ATOM 0 HD3 LYS A 27 21.147 3.110 -21.158 1.00 50.21 H new ATOM 0 HE2 LYS A 27 18.578 4.474 -21.894 1.00 14.53 H new ATOM 0 HE3 LYS A 27 20.055 5.126 -22.577 1.00 14.53 H new ATOM 0 HZ1 LYS A 27 19.129 3.475 -24.037 1.00 15.34 H new ATOM 0 HZ2 LYS A 27 20.593 2.888 -23.408 1.00 15.34 H new ATOM 0 HZ3 LYS A 27 19.117 2.309 -22.802 1.00 15.34 H new ATOM 436 N ASN A 28 16.135 2.932 -17.777 1.00 62.44 N ATOM 437 CA ASN A 28 15.188 1.829 -17.660 1.00 54.11 C ATOM 438 C ASN A 28 15.210 0.957 -18.912 1.00 24.23 C ATOM 439 O ASN A 28 14.505 -0.049 -18.992 1.00 5.53 O ATOM 440 CB ASN A 28 13.775 2.367 -17.425 1.00 75.51 C ATOM 441 CG ASN A 28 13.504 2.660 -15.962 1.00 53.52 C ATOM 442 OD1 ASN A 28 13.505 3.817 -15.539 1.00 73.33 O ATOM 443 ND2 ASN A 28 13.270 1.612 -15.182 1.00 22.15 N ATOM 0 H ASN A 28 15.714 3.823 -18.040 1.00 62.44 H new ATOM 0 HA ASN A 28 15.484 1.217 -16.808 1.00 54.11 H new ATOM 0 HB2 ASN A 28 13.634 3.278 -18.007 1.00 75.51 H new ATOM 0 HB3 ASN A 28 13.048 1.641 -17.788 1.00 75.51 H new ATOM 0 HD21 ASN A 28 13.081 1.748 -14.189 1.00 22.15 H new ATOM 0 HD22 ASN A 28 13.279 0.671 -15.576 1.00 22.15 H new ATOM 450 N GLU A 29 16.026 1.350 -19.885 1.00 72.54 N ATOM 451 CA GLU A 29 16.140 0.603 -21.133 1.00 11.21 C ATOM 452 C GLU A 29 17.535 0.003 -21.282 1.00 41.45 C ATOM 453 O GLU A 29 17.977 -0.299 -22.391 1.00 34.14 O ATOM 454 CB GLU A 29 15.832 1.511 -22.326 1.00 23.51 C ATOM 455 CG GLU A 29 16.502 2.872 -22.244 1.00 22.21 C ATOM 456 CD GLU A 29 16.614 3.549 -23.596 1.00 5.21 C ATOM 457 OE1 GLU A 29 16.384 2.871 -24.619 1.00 53.43 O ATOM 458 OE2 GLU A 29 16.933 4.756 -23.631 1.00 22.10 O ATOM 0 H GLU A 29 16.617 2.180 -19.834 1.00 72.54 H new ATOM 0 HA GLU A 29 15.415 -0.210 -21.108 1.00 11.21 H new ATOM 0 HB2 GLU A 29 16.150 1.013 -23.242 1.00 23.51 H new ATOM 0 HB3 GLU A 29 14.753 1.650 -22.397 1.00 23.51 H new ATOM 0 HG2 GLU A 29 15.935 3.512 -21.567 1.00 22.21 H new ATOM 0 HG3 GLU A 29 17.498 2.758 -21.815 1.00 22.21 H new ATOM 465 N ALA A 30 18.224 -0.165 -20.158 1.00 50.15 N ATOM 466 CA ALA A 30 19.568 -0.729 -20.163 1.00 72.34 C ATOM 467 C ALA A 30 19.579 -2.125 -19.549 1.00 63.03 C ATOM 468 O ALA A 30 18.694 -2.478 -18.771 1.00 32.33 O ATOM 469 CB ALA A 30 20.527 0.186 -19.417 1.00 63.31 C ATOM 0 H ALA A 30 17.873 0.082 -19.232 1.00 50.15 H new ATOM 0 HA ALA A 30 19.897 -0.814 -21.199 1.00 72.34 H new ATOM 0 HB1 ALA A 30 21.527 -0.248 -19.429 1.00 63.31 H new ATOM 0 HB2 ALA A 30 20.549 1.162 -19.901 1.00 63.31 H new ATOM 0 HB3 ALA A 30 20.193 0.300 -18.386 1.00 63.31 H new ATOM 475 N SER A 31 20.587 -2.915 -19.905 1.00 44.12 N ATOM 476 CA SER A 31 20.711 -4.274 -19.392 1.00 63.33 C ATOM 477 C SER A 31 21.566 -4.302 -18.128 1.00 75.35 C ATOM 478 O SER A 31 21.896 -3.258 -17.565 1.00 72.42 O ATOM 479 CB SER A 31 21.323 -5.189 -20.455 1.00 73.31 C ATOM 480 OG SER A 31 21.138 -6.554 -20.121 1.00 12.12 O ATOM 0 H SER A 31 21.330 -2.637 -20.547 1.00 44.12 H new ATOM 0 HA SER A 31 19.713 -4.634 -19.143 1.00 63.33 H new ATOM 0 HB2 SER A 31 20.866 -4.983 -21.423 1.00 73.31 H new ATOM 0 HB3 SER A 31 22.388 -4.976 -20.553 1.00 73.31 H new ATOM 0 HG SER A 31 21.536 -7.118 -20.816 1.00 12.12 H new ATOM 486 N PHE A 32 21.920 -5.505 -17.688 1.00 41.11 N ATOM 487 CA PHE A 32 22.735 -5.671 -16.490 1.00 40.22 C ATOM 488 C PHE A 32 24.178 -6.006 -16.856 1.00 72.43 C ATOM 489 O PHE A 32 25.114 -5.621 -16.155 1.00 72.14 O ATOM 490 CB PHE A 32 22.153 -6.771 -15.600 1.00 65.34 C ATOM 491 CG PHE A 32 21.130 -6.272 -14.621 1.00 72.12 C ATOM 492 CD1 PHE A 32 20.343 -5.172 -14.922 1.00 72.11 C ATOM 493 CD2 PHE A 32 20.954 -6.903 -13.400 1.00 61.13 C ATOM 494 CE1 PHE A 32 19.401 -4.710 -14.022 1.00 73.44 C ATOM 495 CE2 PHE A 32 20.013 -6.446 -12.497 1.00 22.03 C ATOM 496 CZ PHE A 32 19.235 -5.349 -12.809 1.00 12.22 C ATOM 0 H PHE A 32 21.655 -6.379 -18.143 1.00 41.11 H new ATOM 0 HA PHE A 32 22.728 -4.729 -15.942 1.00 40.22 H new ATOM 0 HB2 PHE A 32 21.698 -7.535 -16.231 1.00 65.34 H new ATOM 0 HB3 PHE A 32 22.964 -7.251 -15.053 1.00 65.34 H new ATOM 0 HD1 PHE A 32 20.467 -4.670 -15.870 1.00 72.11 H new ATOM 0 HD2 PHE A 32 21.559 -7.762 -13.151 1.00 61.13 H new ATOM 0 HE1 PHE A 32 18.795 -3.850 -14.267 1.00 73.44 H new ATOM 0 HE2 PHE A 32 19.886 -6.946 -11.548 1.00 22.03 H new ATOM 0 HZ PHE A 32 18.498 -4.991 -12.106 1.00 12.22 H new ATOM 506 N VAL A 33 24.350 -6.728 -17.959 1.00 73.13 N ATOM 507 CA VAL A 33 25.678 -7.116 -18.420 1.00 14.01 C ATOM 508 C VAL A 33 25.889 -6.725 -19.878 1.00 63.22 C ATOM 509 O VAL A 33 26.988 -6.337 -20.274 1.00 65.34 O ATOM 510 CB VAL A 33 25.904 -8.632 -18.268 1.00 54.01 C ATOM 511 CG1 VAL A 33 25.015 -9.404 -19.232 1.00 45.31 C ATOM 512 CG2 VAL A 33 27.369 -8.976 -18.488 1.00 71.42 C ATOM 0 H VAL A 33 23.586 -7.056 -18.550 1.00 73.13 H new ATOM 0 HA VAL A 33 26.398 -6.585 -17.797 1.00 14.01 H new ATOM 0 HB VAL A 33 25.635 -8.922 -17.252 1.00 54.01 H new ATOM 0 HG11 VAL A 33 25.189 -10.473 -19.110 1.00 45.31 H new ATOM 0 HG12 VAL A 33 23.969 -9.180 -19.022 1.00 45.31 H new ATOM 0 HG13 VAL A 33 25.250 -9.113 -20.256 1.00 45.31 H new ATOM 0 HG21 VAL A 33 27.511 -10.051 -18.377 1.00 71.42 H new ATOM 0 HG22 VAL A 33 27.667 -8.672 -19.491 1.00 71.42 H new ATOM 0 HG23 VAL A 33 27.980 -8.452 -17.754 1.00 71.42 H new ATOM 522 N ASP A 34 24.830 -6.830 -20.673 1.00 13.34 N ATOM 523 CA ASP A 34 24.898 -6.486 -22.088 1.00 44.41 C ATOM 524 C ASP A 34 25.191 -5.000 -22.273 1.00 1.25 C ATOM 525 O ASP A 34 25.778 -4.592 -23.275 1.00 61.51 O ATOM 526 CB ASP A 34 23.588 -6.851 -22.788 1.00 2.33 C ATOM 527 CG ASP A 34 23.771 -7.081 -24.275 1.00 72.10 C ATOM 528 OD1 ASP A 34 24.469 -8.048 -24.645 1.00 24.44 O ATOM 529 OD2 ASP A 34 23.215 -6.295 -25.069 1.00 55.25 O ATOM 0 H ASP A 34 23.913 -7.151 -20.361 1.00 13.34 H new ATOM 0 HA ASP A 34 25.711 -7.057 -22.536 1.00 44.41 H new ATOM 0 HB2 ASP A 34 23.174 -7.751 -22.332 1.00 2.33 H new ATOM 0 HB3 ASP A 34 22.862 -6.053 -22.633 1.00 2.33 H new ATOM 534 N ASP A 35 24.777 -4.195 -21.300 1.00 23.53 N ATOM 535 CA ASP A 35 24.995 -2.755 -21.354 1.00 51.55 C ATOM 536 C ASP A 35 26.026 -2.321 -20.317 1.00 13.20 C ATOM 537 O ASP A 35 27.134 -1.910 -20.662 1.00 4.51 O ATOM 538 CB ASP A 35 23.679 -2.009 -21.126 1.00 72.45 C ATOM 539 CG ASP A 35 23.886 -0.525 -20.897 1.00 60.22 C ATOM 540 OD1 ASP A 35 24.092 -0.128 -19.731 1.00 42.42 O ATOM 541 OD2 ASP A 35 23.843 0.239 -21.884 1.00 31.21 O ATOM 0 H ASP A 35 24.288 -4.516 -20.464 1.00 23.53 H new ATOM 0 HA ASP A 35 25.377 -2.508 -22.345 1.00 51.55 H new ATOM 0 HB2 ASP A 35 23.029 -2.153 -21.989 1.00 72.45 H new ATOM 0 HB3 ASP A 35 23.166 -2.438 -20.265 1.00 72.45 H new ATOM 546 N LEU A 36 25.653 -2.414 -19.045 1.00 71.34 N ATOM 547 CA LEU A 36 26.545 -2.031 -17.956 1.00 53.45 C ATOM 548 C LEU A 36 27.900 -2.716 -18.096 1.00 4.32 C ATOM 549 O LEU A 36 28.925 -2.178 -17.678 1.00 40.13 O ATOM 550 CB LEU A 36 25.917 -2.386 -16.608 1.00 20.24 C ATOM 551 CG LEU A 36 24.499 -1.866 -16.369 1.00 71.33 C ATOM 552 CD1 LEU A 36 23.910 -2.480 -15.108 1.00 43.23 C ATOM 553 CD2 LEU A 36 24.496 -0.347 -16.277 1.00 61.41 C ATOM 0 H LEU A 36 24.739 -2.751 -18.743 1.00 71.34 H new ATOM 0 HA LEU A 36 26.697 -0.953 -18.006 1.00 53.45 H new ATOM 0 HB2 LEU A 36 25.905 -3.472 -16.510 1.00 20.24 H new ATOM 0 HB3 LEU A 36 26.561 -2.001 -15.817 1.00 20.24 H new ATOM 0 HG LEU A 36 23.878 -2.160 -17.215 1.00 71.33 H new ATOM 0 HD11 LEU A 36 22.901 -2.098 -14.954 1.00 43.23 H new ATOM 0 HD12 LEU A 36 23.875 -3.564 -15.213 1.00 43.23 H new ATOM 0 HD13 LEU A 36 24.531 -2.218 -14.251 1.00 43.23 H new ATOM 0 HD21 LEU A 36 23.479 0.005 -16.107 1.00 61.41 H new ATOM 0 HD22 LEU A 36 25.132 -0.031 -15.450 1.00 61.41 H new ATOM 0 HD23 LEU A 36 24.875 0.075 -17.208 1.00 61.41 H new ATOM 565 N GLY A 37 27.898 -3.906 -18.688 1.00 62.30 N ATOM 566 CA GLY A 37 29.134 -4.645 -18.874 1.00 54.40 C ATOM 567 C GLY A 37 29.593 -5.336 -17.605 1.00 54.34 C ATOM 568 O GLY A 37 30.757 -5.716 -17.484 1.00 74.33 O ATOM 0 H GLY A 37 27.063 -4.372 -19.042 1.00 62.30 H new ATOM 0 HA2 GLY A 37 28.995 -5.388 -19.659 1.00 54.40 H new ATOM 0 HA3 GLY A 37 29.913 -3.964 -19.215 1.00 54.40 H new ATOM 572 N ALA A 38 28.676 -5.497 -16.657 1.00 22.04 N ATOM 573 CA ALA A 38 28.993 -6.147 -15.391 1.00 61.10 C ATOM 574 C ALA A 38 29.325 -7.621 -15.599 1.00 15.12 C ATOM 575 O ALA A 38 29.490 -8.076 -16.731 1.00 33.33 O ATOM 576 CB ALA A 38 27.835 -5.997 -14.416 1.00 12.00 C ATOM 0 H ALA A 38 27.708 -5.187 -16.741 1.00 22.04 H new ATOM 0 HA ALA A 38 29.872 -5.659 -14.971 1.00 61.10 H new ATOM 0 HB1 ALA A 38 28.086 -6.487 -13.475 1.00 12.00 H new ATOM 0 HB2 ALA A 38 27.647 -4.939 -14.235 1.00 12.00 H new ATOM 0 HB3 ALA A 38 26.942 -6.458 -14.838 1.00 12.00 H new ATOM 582 N ASP A 39 29.421 -8.361 -14.500 1.00 61.31 N ATOM 583 CA ASP A 39 29.733 -9.785 -14.562 1.00 53.41 C ATOM 584 C ASP A 39 28.759 -10.592 -13.709 1.00 53.25 C ATOM 585 O ASP A 39 27.887 -10.031 -13.046 1.00 11.31 O ATOM 586 CB ASP A 39 31.167 -10.035 -14.095 1.00 24.10 C ATOM 587 CG ASP A 39 32.195 -9.432 -15.033 1.00 21.55 C ATOM 588 OD1 ASP A 39 32.564 -8.257 -14.831 1.00 51.21 O ATOM 589 OD2 ASP A 39 32.630 -10.136 -15.968 1.00 71.33 O ATOM 0 H ASP A 39 29.287 -7.999 -13.556 1.00 61.31 H new ATOM 0 HA ASP A 39 29.635 -10.109 -15.598 1.00 53.41 H new ATOM 0 HB2 ASP A 39 31.299 -9.616 -13.098 1.00 24.10 H new ATOM 0 HB3 ASP A 39 31.338 -11.109 -14.015 1.00 24.10 H new ATOM 594 N SER A 40 28.913 -11.912 -13.733 1.00 53.24 N ATOM 595 CA SER A 40 28.044 -12.797 -12.967 1.00 13.24 C ATOM 596 C SER A 40 27.979 -12.362 -11.506 1.00 32.24 C ATOM 597 O SER A 40 26.943 -12.495 -10.852 1.00 4.34 O ATOM 598 CB SER A 40 28.541 -14.241 -13.059 1.00 42.43 C ATOM 599 OG SER A 40 28.875 -14.580 -14.394 1.00 23.21 O ATOM 0 H SER A 40 29.632 -12.392 -14.275 1.00 53.24 H new ATOM 0 HA SER A 40 27.042 -12.738 -13.391 1.00 13.24 H new ATOM 0 HB2 SER A 40 29.413 -14.370 -12.418 1.00 42.43 H new ATOM 0 HB3 SER A 40 27.771 -14.918 -12.690 1.00 42.43 H new ATOM 0 HG SER A 40 29.192 -15.507 -14.427 1.00 23.21 H new ATOM 605 N LEU A 41 29.092 -11.843 -11.000 1.00 13.44 N ATOM 606 CA LEU A 41 29.163 -11.388 -9.615 1.00 42.44 C ATOM 607 C LEU A 41 28.223 -10.210 -9.380 1.00 75.20 C ATOM 608 O LEU A 41 27.525 -10.153 -8.367 1.00 75.25 O ATOM 609 CB LEU A 41 30.597 -10.988 -9.263 1.00 0.13 C ATOM 610 CG LEU A 41 30.951 -11.003 -7.775 1.00 43.43 C ATOM 611 CD1 LEU A 41 30.734 -12.389 -7.189 1.00 2.25 C ATOM 612 CD2 LEU A 41 32.389 -10.552 -7.565 1.00 45.21 C ATOM 0 H LEU A 41 29.957 -11.727 -11.527 1.00 13.44 H new ATOM 0 HA LEU A 41 28.852 -12.211 -8.971 1.00 42.44 H new ATOM 0 HB2 LEU A 41 31.279 -11.659 -9.785 1.00 0.13 H new ATOM 0 HB3 LEU A 41 30.779 -9.985 -9.649 1.00 0.13 H new ATOM 0 HG LEU A 41 30.293 -10.305 -7.257 1.00 43.43 H new ATOM 0 HD11 LEU A 41 30.991 -12.381 -6.130 1.00 2.25 H new ATOM 0 HD12 LEU A 41 29.689 -12.674 -7.306 1.00 2.25 H new ATOM 0 HD13 LEU A 41 31.367 -13.107 -7.710 1.00 2.25 H new ATOM 0 HD21 LEU A 41 32.624 -10.569 -6.501 1.00 45.21 H new ATOM 0 HD22 LEU A 41 33.063 -11.225 -8.096 1.00 45.21 H new ATOM 0 HD23 LEU A 41 32.512 -9.539 -7.948 1.00 45.21 H new ATOM 624 N ASP A 42 28.208 -9.274 -10.322 1.00 53.04 N ATOM 625 CA ASP A 42 27.350 -8.099 -10.219 1.00 60.15 C ATOM 626 C ASP A 42 25.878 -8.499 -10.225 1.00 51.23 C ATOM 627 O ASP A 42 25.118 -8.127 -9.330 1.00 25.54 O ATOM 628 CB ASP A 42 27.633 -7.132 -11.370 1.00 63.12 C ATOM 629 CG ASP A 42 28.785 -6.194 -11.068 1.00 24.21 C ATOM 630 OD1 ASP A 42 28.616 -5.304 -10.209 1.00 33.55 O ATOM 631 OD2 ASP A 42 29.856 -6.349 -11.692 1.00 25.25 O ATOM 0 H ASP A 42 28.780 -9.306 -11.166 1.00 53.04 H new ATOM 0 HA ASP A 42 27.569 -7.601 -9.274 1.00 60.15 H new ATOM 0 HB2 ASP A 42 27.859 -7.701 -12.272 1.00 63.12 H new ATOM 0 HB3 ASP A 42 26.737 -6.547 -11.578 1.00 63.12 H new ATOM 636 N THR A 43 25.480 -9.258 -11.242 1.00 12.33 N ATOM 637 CA THR A 43 24.099 -9.706 -11.366 1.00 14.02 C ATOM 638 C THR A 43 23.618 -10.369 -10.080 1.00 10.52 C ATOM 639 O THR A 43 22.605 -9.969 -9.505 1.00 23.33 O ATOM 640 CB THR A 43 23.932 -10.697 -12.533 1.00 42.35 C ATOM 641 OG1 THR A 43 25.151 -11.420 -12.739 1.00 74.33 O ATOM 642 CG2 THR A 43 23.548 -9.967 -13.812 1.00 13.14 C ATOM 0 H THR A 43 26.095 -9.575 -11.991 1.00 12.33 H new ATOM 0 HA THR A 43 23.496 -8.819 -11.562 1.00 14.02 H new ATOM 0 HB THR A 43 23.134 -11.394 -12.278 1.00 42.35 H new ATOM 0 HG1 THR A 43 25.492 -11.738 -11.877 1.00 74.33 H new ATOM 0 HG21 THR A 43 23.436 -10.687 -14.622 1.00 13.14 H new ATOM 0 HG22 THR A 43 22.606 -9.440 -13.661 1.00 13.14 H new ATOM 0 HG23 THR A 43 24.327 -9.250 -14.070 1.00 13.14 H new ATOM 650 N VAL A 44 24.351 -11.383 -9.632 1.00 61.14 N ATOM 651 CA VAL A 44 24.000 -12.100 -8.412 1.00 63.34 C ATOM 652 C VAL A 44 23.892 -11.148 -7.227 1.00 2.11 C ATOM 653 O VAL A 44 22.955 -11.233 -6.434 1.00 51.31 O ATOM 654 CB VAL A 44 25.036 -13.193 -8.086 1.00 73.03 C ATOM 655 CG1 VAL A 44 24.645 -13.937 -6.818 1.00 64.34 C ATOM 656 CG2 VAL A 44 25.181 -14.155 -9.256 1.00 12.12 C ATOM 0 H VAL A 44 25.192 -11.727 -10.096 1.00 61.14 H new ATOM 0 HA VAL A 44 23.031 -12.568 -8.587 1.00 63.34 H new ATOM 0 HB VAL A 44 26.001 -12.716 -7.916 1.00 73.03 H new ATOM 0 HG11 VAL A 44 25.388 -14.705 -6.603 1.00 64.34 H new ATOM 0 HG12 VAL A 44 24.597 -13.236 -5.985 1.00 64.34 H new ATOM 0 HG13 VAL A 44 23.670 -14.404 -6.956 1.00 64.34 H new ATOM 0 HG21 VAL A 44 25.917 -14.920 -9.009 1.00 12.12 H new ATOM 0 HG22 VAL A 44 24.220 -14.627 -9.460 1.00 12.12 H new ATOM 0 HG23 VAL A 44 25.510 -13.607 -10.139 1.00 12.12 H new ATOM 666 N GLU A 45 24.858 -10.241 -7.113 1.00 31.40 N ATOM 667 CA GLU A 45 24.871 -9.273 -6.023 1.00 53.21 C ATOM 668 C GLU A 45 23.577 -8.464 -5.999 1.00 40.20 C ATOM 669 O GLU A 45 23.032 -8.174 -4.933 1.00 3.11 O ATOM 670 CB GLU A 45 26.070 -8.333 -6.161 1.00 3.15 C ATOM 671 CG GLU A 45 27.139 -8.552 -5.103 1.00 2.30 C ATOM 672 CD GLU A 45 27.626 -9.987 -5.054 1.00 0.13 C ATOM 673 OE1 GLU A 45 28.420 -10.374 -5.937 1.00 31.02 O ATOM 674 OE2 GLU A 45 27.213 -10.723 -4.133 1.00 45.22 O ATOM 0 H GLU A 45 25.641 -10.157 -7.762 1.00 31.40 H new ATOM 0 HA GLU A 45 24.954 -9.821 -5.085 1.00 53.21 H new ATOM 0 HB2 GLU A 45 26.514 -8.466 -7.147 1.00 3.15 H new ATOM 0 HB3 GLU A 45 25.721 -7.302 -6.105 1.00 3.15 H new ATOM 0 HG2 GLU A 45 27.983 -7.892 -5.303 1.00 2.30 H new ATOM 0 HG3 GLU A 45 26.741 -8.274 -4.127 1.00 2.30 H new ATOM 681 N LEU A 46 23.091 -8.102 -7.181 1.00 13.30 N ATOM 682 CA LEU A 46 21.861 -7.325 -7.297 1.00 61.42 C ATOM 683 C LEU A 46 20.660 -8.133 -6.817 1.00 33.13 C ATOM 684 O LEU A 46 19.865 -7.660 -6.004 1.00 51.12 O ATOM 685 CB LEU A 46 21.647 -6.885 -8.747 1.00 25.44 C ATOM 686 CG LEU A 46 22.601 -5.811 -9.269 1.00 43.42 C ATOM 687 CD1 LEU A 46 22.619 -5.807 -10.790 1.00 4.21 C ATOM 688 CD2 LEU A 46 22.206 -4.442 -8.735 1.00 41.53 C ATOM 0 H LEU A 46 23.529 -8.334 -8.072 1.00 13.30 H new ATOM 0 HA LEU A 46 21.957 -6.441 -6.666 1.00 61.42 H new ATOM 0 HB2 LEU A 46 21.733 -7.762 -9.388 1.00 25.44 H new ATOM 0 HB3 LEU A 46 20.626 -6.516 -8.847 1.00 25.44 H new ATOM 0 HG LEU A 46 23.606 -6.041 -8.915 1.00 43.42 H new ATOM 0 HD11 LEU A 46 23.304 -5.036 -11.144 1.00 4.21 H new ATOM 0 HD12 LEU A 46 22.950 -6.780 -11.153 1.00 4.21 H new ATOM 0 HD13 LEU A 46 21.616 -5.602 -11.165 1.00 4.21 H new ATOM 0 HD21 LEU A 46 22.896 -3.690 -9.117 1.00 41.53 H new ATOM 0 HD22 LEU A 46 21.193 -4.203 -9.059 1.00 41.53 H new ATOM 0 HD23 LEU A 46 22.246 -4.451 -7.646 1.00 41.53 H new ATOM 700 N VAL A 47 20.535 -9.356 -7.323 1.00 15.13 N ATOM 701 CA VAL A 47 19.432 -10.231 -6.943 1.00 22.42 C ATOM 702 C VAL A 47 19.312 -10.337 -5.427 1.00 14.12 C ATOM 703 O VAL A 47 18.258 -10.056 -4.857 1.00 12.52 O ATOM 704 CB VAL A 47 19.608 -11.643 -7.532 1.00 61.44 C ATOM 705 CG1 VAL A 47 18.471 -12.552 -7.091 1.00 12.00 C ATOM 706 CG2 VAL A 47 19.692 -11.580 -9.050 1.00 5.01 C ATOM 0 H VAL A 47 21.184 -9.763 -7.997 1.00 15.13 H new ATOM 0 HA VAL A 47 18.522 -9.787 -7.347 1.00 22.42 H new ATOM 0 HB VAL A 47 20.542 -12.061 -7.155 1.00 61.44 H new ATOM 0 HG11 VAL A 47 18.613 -13.545 -7.517 1.00 12.00 H new ATOM 0 HG12 VAL A 47 18.462 -12.622 -6.003 1.00 12.00 H new ATOM 0 HG13 VAL A 47 17.522 -12.141 -7.436 1.00 12.00 H new ATOM 0 HG21 VAL A 47 19.816 -12.586 -9.450 1.00 5.01 H new ATOM 0 HG22 VAL A 47 18.776 -11.142 -9.447 1.00 5.01 H new ATOM 0 HG23 VAL A 47 20.544 -10.966 -9.342 1.00 5.01 H new ATOM 716 N MET A 48 20.398 -10.744 -4.779 1.00 44.11 N ATOM 717 CA MET A 48 20.415 -10.885 -3.328 1.00 13.02 C ATOM 718 C MET A 48 20.111 -9.553 -2.649 1.00 32.33 C ATOM 719 O MET A 48 19.434 -9.510 -1.622 1.00 5.05 O ATOM 720 CB MET A 48 21.773 -11.411 -2.860 1.00 42.13 C ATOM 721 CG MET A 48 22.934 -10.496 -3.217 1.00 21.55 C ATOM 722 SD MET A 48 24.522 -11.140 -2.655 1.00 44.43 S ATOM 723 CE MET A 48 24.566 -12.719 -3.500 1.00 12.51 C ATOM 0 H MET A 48 21.278 -10.982 -5.236 1.00 44.11 H new ATOM 0 HA MET A 48 19.641 -11.600 -3.049 1.00 13.02 H new ATOM 0 HB2 MET A 48 21.748 -11.548 -1.779 1.00 42.13 H new ATOM 0 HB3 MET A 48 21.945 -12.393 -3.302 1.00 42.13 H new ATOM 0 HG2 MET A 48 22.964 -10.358 -4.298 1.00 21.55 H new ATOM 0 HG3 MET A 48 22.767 -9.514 -2.775 1.00 21.55 H new ATOM 0 HE1 MET A 48 24.417 -13.522 -2.778 1.00 12.51 H new ATOM 0 HE2 MET A 48 23.775 -12.753 -4.249 1.00 12.51 H new ATOM 0 HE3 MET A 48 25.533 -12.844 -3.988 1.00 12.51 H new ATOM 733 N ALA A 49 20.615 -8.469 -3.229 1.00 63.41 N ATOM 734 CA ALA A 49 20.396 -7.137 -2.681 1.00 0.15 C ATOM 735 C ALA A 49 18.910 -6.798 -2.639 1.00 72.11 C ATOM 736 O ALA A 49 18.447 -6.096 -1.739 1.00 24.35 O ATOM 737 CB ALA A 49 21.153 -6.099 -3.496 1.00 23.31 C ATOM 0 H ALA A 49 21.178 -8.488 -4.079 1.00 63.41 H new ATOM 0 HA ALA A 49 20.774 -7.126 -1.659 1.00 0.15 H new ATOM 0 HB1 ALA A 49 20.980 -5.109 -3.075 1.00 23.31 H new ATOM 0 HB2 ALA A 49 22.219 -6.323 -3.470 1.00 23.31 H new ATOM 0 HB3 ALA A 49 20.803 -6.121 -4.528 1.00 23.31 H new ATOM 743 N LEU A 50 18.166 -7.300 -3.619 1.00 10.23 N ATOM 744 CA LEU A 50 16.731 -7.050 -3.695 1.00 12.44 C ATOM 745 C LEU A 50 15.977 -7.885 -2.664 1.00 42.42 C ATOM 746 O LEU A 50 15.258 -7.347 -1.823 1.00 33.41 O ATOM 747 CB LEU A 50 16.212 -7.362 -5.099 1.00 61.42 C ATOM 748 CG LEU A 50 16.781 -6.506 -6.231 1.00 13.41 C ATOM 749 CD1 LEU A 50 16.300 -7.016 -7.580 1.00 72.23 C ATOM 750 CD2 LEU A 50 16.393 -5.046 -6.042 1.00 34.44 C ATOM 0 H LEU A 50 18.533 -7.882 -4.372 1.00 10.23 H new ATOM 0 HA LEU A 50 16.559 -5.996 -3.477 1.00 12.44 H new ATOM 0 HB2 LEU A 50 16.425 -8.408 -5.319 1.00 61.42 H new ATOM 0 HB3 LEU A 50 15.128 -7.251 -5.097 1.00 61.42 H new ATOM 0 HG LEU A 50 17.868 -6.579 -6.205 1.00 13.41 H new ATOM 0 HD11 LEU A 50 16.715 -6.394 -8.373 1.00 72.23 H new ATOM 0 HD12 LEU A 50 16.628 -8.046 -7.717 1.00 72.23 H new ATOM 0 HD13 LEU A 50 15.211 -6.973 -7.618 1.00 72.23 H new ATOM 0 HD21 LEU A 50 16.806 -4.451 -6.857 1.00 34.44 H new ATOM 0 HD22 LEU A 50 15.307 -4.955 -6.041 1.00 34.44 H new ATOM 0 HD23 LEU A 50 16.788 -4.685 -5.092 1.00 34.44 H new ATOM 762 N GLU A 51 16.150 -9.201 -2.736 1.00 11.20 N ATOM 763 CA GLU A 51 15.487 -10.109 -1.808 1.00 33.20 C ATOM 764 C GLU A 51 15.883 -9.800 -0.367 1.00 70.02 C ATOM 765 O GLU A 51 15.192 -10.188 0.574 1.00 71.41 O ATOM 766 CB GLU A 51 15.835 -11.561 -2.144 1.00 0.21 C ATOM 767 CG GLU A 51 17.306 -11.893 -1.957 1.00 11.21 C ATOM 768 CD GLU A 51 17.722 -13.142 -2.709 1.00 44.32 C ATOM 769 OE1 GLU A 51 17.630 -13.143 -3.954 1.00 62.55 O ATOM 770 OE2 GLU A 51 18.141 -14.118 -2.052 1.00 12.33 O ATOM 0 H GLU A 51 16.743 -9.661 -3.426 1.00 11.20 H new ATOM 0 HA GLU A 51 14.411 -9.968 -1.909 1.00 33.20 H new ATOM 0 HB2 GLU A 51 15.239 -12.223 -1.516 1.00 0.21 H new ATOM 0 HB3 GLU A 51 15.554 -11.763 -3.178 1.00 0.21 H new ATOM 0 HG2 GLU A 51 17.910 -11.051 -2.295 1.00 11.21 H new ATOM 0 HG3 GLU A 51 17.512 -12.027 -0.895 1.00 11.21 H new ATOM 777 N GLU A 52 17.001 -9.099 -0.204 1.00 53.04 N ATOM 778 CA GLU A 52 17.490 -8.739 1.121 1.00 33.04 C ATOM 779 C GLU A 52 16.983 -7.359 1.532 1.00 21.40 C ATOM 780 O GLU A 52 16.296 -7.215 2.542 1.00 32.34 O ATOM 781 CB GLU A 52 19.019 -8.762 1.149 1.00 44.43 C ATOM 782 CG GLU A 52 19.604 -8.698 2.550 1.00 61.24 C ATOM 783 CD GLU A 52 21.115 -8.570 2.546 1.00 41.11 C ATOM 784 OE1 GLU A 52 21.780 -9.402 1.895 1.00 22.41 O ATOM 785 OE2 GLU A 52 21.632 -7.636 3.194 1.00 1.12 O ATOM 0 H GLU A 52 17.584 -8.770 -0.973 1.00 53.04 H new ATOM 0 HA GLU A 52 17.110 -9.473 1.832 1.00 33.04 H new ATOM 0 HB2 GLU A 52 19.369 -9.671 0.660 1.00 44.43 H new ATOM 0 HB3 GLU A 52 19.397 -7.921 0.568 1.00 44.43 H new ATOM 0 HG2 GLU A 52 19.173 -7.850 3.081 1.00 61.24 H new ATOM 0 HG3 GLU A 52 19.321 -9.596 3.099 1.00 61.24 H new ATOM 792 N GLU A 53 17.329 -6.349 0.741 1.00 52.34 N ATOM 793 CA GLU A 53 16.910 -4.981 1.023 1.00 43.32 C ATOM 794 C GLU A 53 15.392 -4.848 0.939 1.00 4.13 C ATOM 795 O GLU A 53 14.736 -4.472 1.911 1.00 24.42 O ATOM 796 CB GLU A 53 17.573 -4.009 0.044 1.00 11.12 C ATOM 797 CG GLU A 53 17.682 -2.590 0.576 1.00 40.43 C ATOM 798 CD GLU A 53 19.000 -1.932 0.216 1.00 1.31 C ATOM 799 OE1 GLU A 53 20.049 -2.596 0.348 1.00 64.11 O ATOM 800 OE2 GLU A 53 18.983 -0.753 -0.197 1.00 34.44 O ATOM 0 H GLU A 53 17.898 -6.452 -0.099 1.00 52.34 H new ATOM 0 HA GLU A 53 17.223 -4.734 2.037 1.00 43.32 H new ATOM 0 HB2 GLU A 53 18.571 -4.375 -0.199 1.00 11.12 H new ATOM 0 HB3 GLU A 53 17.003 -3.997 -0.885 1.00 11.12 H new ATOM 0 HG2 GLU A 53 16.861 -1.993 0.178 1.00 40.43 H new ATOM 0 HG3 GLU A 53 17.571 -2.603 1.660 1.00 40.43 H new ATOM 807 N PHE A 54 14.841 -5.158 -0.229 1.00 73.02 N ATOM 808 CA PHE A 54 13.401 -5.072 -0.442 1.00 35.25 C ATOM 809 C PHE A 54 12.678 -6.221 0.257 1.00 4.52 C ATOM 810 O PHE A 54 11.449 -6.252 0.314 1.00 70.25 O ATOM 811 CB PHE A 54 13.082 -5.090 -1.938 1.00 43.10 C ATOM 812 CG PHE A 54 13.170 -3.738 -2.586 1.00 13.54 C ATOM 813 CD1 PHE A 54 12.104 -2.854 -2.522 1.00 23.11 C ATOM 814 CD2 PHE A 54 14.317 -3.350 -3.258 1.00 43.14 C ATOM 815 CE1 PHE A 54 12.182 -1.609 -3.116 1.00 54.44 C ATOM 816 CE2 PHE A 54 14.401 -2.106 -3.854 1.00 55.24 C ATOM 817 CZ PHE A 54 13.331 -1.235 -3.784 1.00 50.54 C ATOM 0 H PHE A 54 15.370 -5.471 -1.043 1.00 73.02 H new ATOM 0 HA PHE A 54 13.052 -4.132 -0.015 1.00 35.25 H new ATOM 0 HB2 PHE A 54 13.770 -5.770 -2.440 1.00 43.10 H new ATOM 0 HB3 PHE A 54 12.078 -5.489 -2.082 1.00 43.10 H new ATOM 0 HD1 PHE A 54 11.202 -3.142 -2.002 1.00 23.11 H new ATOM 0 HD2 PHE A 54 15.156 -4.028 -3.317 1.00 43.14 H new ATOM 0 HE1 PHE A 54 11.345 -0.929 -3.058 1.00 54.44 H new ATOM 0 HE2 PHE A 54 15.302 -1.815 -4.374 1.00 55.24 H new ATOM 0 HZ PHE A 54 13.393 -0.263 -4.251 1.00 50.54 H new ATOM 827 N ASP A 55 13.451 -7.162 0.787 1.00 3.14 N ATOM 828 CA ASP A 55 12.887 -8.313 1.483 1.00 12.51 C ATOM 829 C ASP A 55 11.970 -9.109 0.560 1.00 30.42 C ATOM 830 O ASP A 55 10.957 -9.658 0.995 1.00 13.23 O ATOM 831 CB ASP A 55 12.114 -7.858 2.722 1.00 54.42 C ATOM 832 CG ASP A 55 12.889 -6.853 3.552 1.00 71.33 C ATOM 833 OD1 ASP A 55 13.956 -7.222 4.085 1.00 24.12 O ATOM 834 OD2 ASP A 55 12.429 -5.698 3.667 1.00 33.41 O ATOM 0 H ASP A 55 14.470 -7.151 0.748 1.00 3.14 H new ATOM 0 HA ASP A 55 13.709 -8.958 1.794 1.00 12.51 H new ATOM 0 HB2 ASP A 55 11.167 -7.416 2.413 1.00 54.42 H new ATOM 0 HB3 ASP A 55 11.876 -8.726 3.337 1.00 54.42 H new ATOM 839 N THR A 56 12.332 -9.169 -0.718 1.00 15.22 N ATOM 840 CA THR A 56 11.541 -9.896 -1.703 1.00 20.13 C ATOM 841 C THR A 56 12.033 -11.331 -1.851 1.00 71.33 C ATOM 842 O THR A 56 13.025 -11.723 -1.238 1.00 44.24 O ATOM 843 CB THR A 56 11.585 -9.205 -3.079 1.00 35.51 C ATOM 844 OG1 THR A 56 12.942 -8.959 -3.461 1.00 25.04 O ATOM 845 CG2 THR A 56 10.814 -7.894 -3.051 1.00 3.02 C ATOM 0 H THR A 56 13.168 -8.723 -1.095 1.00 15.22 H new ATOM 0 HA THR A 56 10.513 -9.903 -1.341 1.00 20.13 H new ATOM 0 HB THR A 56 11.118 -9.867 -3.808 1.00 35.51 H new ATOM 0 HG1 THR A 56 12.961 -8.521 -4.337 1.00 25.04 H new ATOM 0 HG21 THR A 56 10.859 -7.424 -4.034 1.00 3.02 H new ATOM 0 HG22 THR A 56 9.774 -8.089 -2.790 1.00 3.02 H new ATOM 0 HG23 THR A 56 11.256 -7.228 -2.310 1.00 3.02 H new ATOM 853 N GLU A 57 11.332 -12.110 -2.669 1.00 64.54 N ATOM 854 CA GLU A 57 11.699 -13.503 -2.897 1.00 64.15 C ATOM 855 C GLU A 57 12.170 -13.714 -4.334 1.00 1.43 C ATOM 856 O GLU A 57 11.391 -14.109 -5.202 1.00 10.24 O ATOM 857 CB GLU A 57 10.513 -14.422 -2.598 1.00 61.01 C ATOM 858 CG GLU A 57 10.318 -14.701 -1.117 1.00 71.03 C ATOM 859 CD GLU A 57 9.565 -15.992 -0.861 1.00 62.33 C ATOM 860 OE1 GLU A 57 8.640 -16.305 -1.640 1.00 2.15 O ATOM 861 OE2 GLU A 57 9.902 -16.690 0.118 1.00 21.40 O ATOM 0 H GLU A 57 10.508 -11.801 -3.184 1.00 64.54 H new ATOM 0 HA GLU A 57 12.520 -13.750 -2.224 1.00 64.15 H new ATOM 0 HB2 GLU A 57 9.605 -13.970 -2.997 1.00 61.01 H new ATOM 0 HB3 GLU A 57 10.655 -15.367 -3.122 1.00 61.01 H new ATOM 0 HG2 GLU A 57 11.291 -14.750 -0.629 1.00 71.03 H new ATOM 0 HG3 GLU A 57 9.775 -13.872 -0.663 1.00 71.03 H new ATOM 868 N ILE A 58 13.449 -13.446 -4.576 1.00 72.22 N ATOM 869 CA ILE A 58 14.023 -13.607 -5.906 1.00 44.51 C ATOM 870 C ILE A 58 14.998 -14.779 -5.946 1.00 53.13 C ATOM 871 O ILE A 58 16.213 -14.612 -5.840 1.00 31.44 O ATOM 872 CB ILE A 58 14.755 -12.330 -6.361 1.00 0.21 C ATOM 873 CG1 ILE A 58 13.801 -11.134 -6.340 1.00 74.12 C ATOM 874 CG2 ILE A 58 15.341 -12.522 -7.751 1.00 65.45 C ATOM 875 CD1 ILE A 58 14.430 -9.850 -6.832 1.00 4.31 C ATOM 0 H ILE A 58 14.107 -13.117 -3.869 1.00 72.22 H new ATOM 0 HA ILE A 58 13.194 -13.804 -6.586 1.00 44.51 H new ATOM 0 HB ILE A 58 15.572 -12.131 -5.668 1.00 0.21 H new ATOM 0 HG12 ILE A 58 12.932 -11.362 -6.956 1.00 74.12 H new ATOM 0 HG13 ILE A 58 13.440 -10.985 -5.322 1.00 74.12 H new ATOM 0 HG21 ILE A 58 15.855 -11.611 -8.058 1.00 65.45 H new ATOM 0 HG22 ILE A 58 16.049 -13.351 -7.736 1.00 65.45 H new ATOM 0 HG23 ILE A 58 14.540 -12.742 -8.456 1.00 65.45 H new ATOM 0 HD11 ILE A 58 13.696 -9.045 -6.789 1.00 4.31 H new ATOM 0 HD12 ILE A 58 15.282 -9.597 -6.201 1.00 4.31 H new ATOM 0 HD13 ILE A 58 14.766 -9.980 -7.861 1.00 4.31 H new ATOM 887 N PRO A 59 14.454 -15.995 -6.106 1.00 1.32 N ATOM 888 CA PRO A 59 15.258 -17.219 -6.166 1.00 74.35 C ATOM 889 C PRO A 59 16.079 -17.311 -7.448 1.00 10.21 C ATOM 890 O PRO A 59 16.163 -16.349 -8.212 1.00 64.43 O ATOM 891 CB PRO A 59 14.209 -18.334 -6.123 1.00 3.15 C ATOM 892 CG PRO A 59 12.970 -17.710 -6.664 1.00 13.54 C ATOM 893 CD PRO A 59 13.013 -16.267 -6.240 1.00 23.53 C ATOM 0 HA PRO A 59 15.987 -17.268 -5.357 1.00 74.35 H new ATOM 0 HB2 PRO A 59 14.516 -19.190 -6.724 1.00 3.15 H new ATOM 0 HB3 PRO A 59 14.058 -18.696 -5.106 1.00 3.15 H new ATOM 0 HG2 PRO A 59 12.932 -17.797 -7.750 1.00 13.54 H new ATOM 0 HG3 PRO A 59 12.081 -18.205 -6.273 1.00 13.54 H new ATOM 0 HD2 PRO A 59 12.548 -15.616 -6.981 1.00 23.53 H new ATOM 0 HD3 PRO A 59 12.485 -16.108 -5.300 1.00 23.53 H new ATOM 901 N ASP A 60 16.682 -18.472 -7.677 1.00 21.02 N ATOM 902 CA ASP A 60 17.496 -18.689 -8.867 1.00 71.42 C ATOM 903 C ASP A 60 16.639 -18.635 -10.128 1.00 63.44 C ATOM 904 O ASP A 60 17.070 -18.123 -11.161 1.00 24.32 O ATOM 905 CB ASP A 60 18.214 -20.037 -8.781 1.00 2.01 C ATOM 906 CG ASP A 60 19.365 -20.017 -7.794 1.00 62.45 C ATOM 907 OD1 ASP A 60 19.108 -19.834 -6.587 1.00 12.34 O ATOM 908 OD2 ASP A 60 20.524 -20.185 -8.230 1.00 53.14 O ATOM 0 H ASP A 60 16.622 -19.278 -7.054 1.00 21.02 H new ATOM 0 HA ASP A 60 18.239 -17.893 -8.919 1.00 71.42 H new ATOM 0 HB2 ASP A 60 17.501 -20.807 -8.488 1.00 2.01 H new ATOM 0 HB3 ASP A 60 18.590 -20.309 -9.767 1.00 2.01 H new ATOM 913 N GLU A 61 15.425 -19.168 -10.036 1.00 71.32 N ATOM 914 CA GLU A 61 14.509 -19.182 -11.171 1.00 23.01 C ATOM 915 C GLU A 61 14.182 -17.762 -11.623 1.00 42.23 C ATOM 916 O GLU A 61 14.307 -17.431 -12.802 1.00 74.30 O ATOM 917 CB GLU A 61 13.221 -19.922 -10.806 1.00 72.21 C ATOM 918 CG GLU A 61 13.331 -21.433 -10.928 1.00 41.33 C ATOM 919 CD GLU A 61 11.979 -22.119 -10.915 1.00 62.35 C ATOM 920 OE1 GLU A 61 11.256 -22.025 -11.929 1.00 33.42 O ATOM 921 OE2 GLU A 61 11.645 -22.751 -9.891 1.00 61.22 O ATOM 0 H GLU A 61 15.053 -19.596 -9.188 1.00 71.32 H new ATOM 0 HA GLU A 61 14.998 -19.703 -11.994 1.00 23.01 H new ATOM 0 HB2 GLU A 61 12.943 -19.668 -9.783 1.00 72.21 H new ATOM 0 HB3 GLU A 61 12.415 -19.572 -11.451 1.00 72.21 H new ATOM 0 HG2 GLU A 61 13.852 -21.682 -11.853 1.00 41.33 H new ATOM 0 HG3 GLU A 61 13.937 -21.817 -10.107 1.00 41.33 H new ATOM 928 N GLU A 62 13.763 -16.927 -10.677 1.00 62.31 N ATOM 929 CA GLU A 62 13.417 -15.543 -10.979 1.00 31.32 C ATOM 930 C GLU A 62 14.671 -14.713 -11.237 1.00 14.41 C ATOM 931 O GLU A 62 14.638 -13.737 -11.986 1.00 42.11 O ATOM 932 CB GLU A 62 12.615 -14.932 -9.828 1.00 30.43 C ATOM 933 CG GLU A 62 11.155 -15.353 -9.813 1.00 11.43 C ATOM 934 CD GLU A 62 10.965 -16.788 -9.361 1.00 4.43 C ATOM 935 OE1 GLU A 62 11.173 -17.701 -10.186 1.00 64.34 O ATOM 936 OE2 GLU A 62 10.609 -16.997 -8.182 1.00 41.04 O ATOM 0 H GLU A 62 13.655 -17.185 -9.696 1.00 62.31 H new ATOM 0 HA GLU A 62 12.806 -15.536 -11.882 1.00 31.32 H new ATOM 0 HB2 GLU A 62 13.077 -15.218 -8.883 1.00 30.43 H new ATOM 0 HB3 GLU A 62 12.670 -13.845 -9.894 1.00 30.43 H new ATOM 0 HG2 GLU A 62 10.597 -14.691 -9.151 1.00 11.43 H new ATOM 0 HG3 GLU A 62 10.736 -15.232 -10.812 1.00 11.43 H new ATOM 943 N ALA A 63 15.774 -15.107 -10.610 1.00 21.10 N ATOM 944 CA ALA A 63 17.039 -14.401 -10.772 1.00 52.12 C ATOM 945 C ALA A 63 17.499 -14.425 -12.226 1.00 33.41 C ATOM 946 O ALA A 63 17.935 -13.409 -12.765 1.00 52.01 O ATOM 947 CB ALA A 63 18.102 -15.009 -9.870 1.00 3.12 C ATOM 0 H ALA A 63 15.817 -15.912 -9.985 1.00 21.10 H new ATOM 0 HA ALA A 63 16.886 -13.361 -10.484 1.00 52.12 H new ATOM 0 HB1 ALA A 63 19.041 -14.472 -10.001 1.00 3.12 H new ATOM 0 HB2 ALA A 63 17.783 -14.934 -8.830 1.00 3.12 H new ATOM 0 HB3 ALA A 63 18.244 -16.058 -10.131 1.00 3.12 H new ATOM 953 N GLU A 64 17.399 -15.593 -12.854 1.00 13.21 N ATOM 954 CA GLU A 64 17.806 -15.748 -14.245 1.00 64.43 C ATOM 955 C GLU A 64 17.042 -14.784 -15.147 1.00 74.25 C ATOM 956 O GLU A 64 17.486 -14.462 -16.250 1.00 12.14 O ATOM 957 CB GLU A 64 17.578 -17.188 -14.709 1.00 75.40 C ATOM 958 CG GLU A 64 16.130 -17.493 -15.056 1.00 70.31 C ATOM 959 CD GLU A 64 15.884 -17.530 -16.552 1.00 11.11 C ATOM 960 OE1 GLU A 64 16.606 -18.269 -17.253 1.00 43.24 O ATOM 961 OE2 GLU A 64 14.970 -16.820 -17.021 1.00 60.10 O ATOM 0 H GLU A 64 17.040 -16.444 -12.422 1.00 13.21 H new ATOM 0 HA GLU A 64 18.869 -15.516 -14.313 1.00 64.43 H new ATOM 0 HB2 GLU A 64 18.201 -17.383 -15.582 1.00 75.40 H new ATOM 0 HB3 GLU A 64 17.906 -17.870 -13.925 1.00 75.40 H new ATOM 0 HG2 GLU A 64 15.851 -18.453 -14.622 1.00 70.31 H new ATOM 0 HG3 GLU A 64 15.485 -16.739 -14.604 1.00 70.31 H new ATOM 968 N LYS A 65 15.888 -14.327 -14.672 1.00 21.22 N ATOM 969 CA LYS A 65 15.060 -13.399 -15.433 1.00 31.51 C ATOM 970 C LYS A 65 15.517 -11.960 -15.218 1.00 71.10 C ATOM 971 O LYS A 65 15.723 -11.215 -16.176 1.00 53.05 O ATOM 972 CB LYS A 65 13.591 -13.545 -15.029 1.00 21.24 C ATOM 973 CG LYS A 65 13.144 -14.988 -14.873 1.00 34.34 C ATOM 974 CD LYS A 65 11.728 -15.192 -15.386 1.00 11.32 C ATOM 975 CE LYS A 65 10.795 -15.655 -14.278 1.00 34.12 C ATOM 976 NZ LYS A 65 9.371 -15.649 -14.713 1.00 54.14 N ATOM 0 H LYS A 65 15.505 -14.585 -13.763 1.00 21.22 H new ATOM 0 HA LYS A 65 15.165 -13.641 -16.491 1.00 31.51 H new ATOM 0 HB2 LYS A 65 13.428 -13.019 -14.088 1.00 21.24 H new ATOM 0 HB3 LYS A 65 12.967 -13.059 -15.779 1.00 21.24 H new ATOM 0 HG2 LYS A 65 13.826 -15.642 -15.416 1.00 34.34 H new ATOM 0 HG3 LYS A 65 13.196 -15.274 -13.823 1.00 34.34 H new ATOM 0 HD2 LYS A 65 11.356 -14.260 -15.810 1.00 11.32 H new ATOM 0 HD3 LYS A 65 11.734 -15.928 -16.190 1.00 11.32 H new ATOM 0 HE2 LYS A 65 11.075 -16.661 -13.964 1.00 34.12 H new ATOM 0 HE3 LYS A 65 10.912 -15.006 -13.410 1.00 34.12 H new ATOM 0 HZ1 LYS A 65 8.767 -15.971 -13.930 1.00 54.14 H new ATOM 0 HZ2 LYS A 65 9.096 -14.684 -14.988 1.00 54.14 H new ATOM 0 HZ3 LYS A 65 9.254 -16.288 -15.525 1.00 54.14 H new ATOM 990 N ILE A 66 15.675 -11.577 -13.956 1.00 13.43 N ATOM 991 CA ILE A 66 16.110 -10.227 -13.617 1.00 31.45 C ATOM 992 C ILE A 66 17.519 -9.958 -14.133 1.00 24.43 C ATOM 993 O ILE A 66 18.507 -10.250 -13.457 1.00 12.11 O ATOM 994 CB ILE A 66 16.079 -9.992 -12.095 1.00 11.21 C ATOM 995 CG1 ILE A 66 14.665 -10.207 -11.552 1.00 74.22 C ATOM 996 CG2 ILE A 66 16.571 -8.590 -11.766 1.00 35.11 C ATOM 997 CD1 ILE A 66 13.655 -9.215 -12.086 1.00 71.40 C ATOM 0 H ILE A 66 15.509 -12.182 -13.151 1.00 13.43 H new ATOM 0 HA ILE A 66 15.413 -9.540 -14.097 1.00 31.45 H new ATOM 0 HB ILE A 66 16.744 -10.711 -11.617 1.00 11.21 H new ATOM 0 HG12 ILE A 66 14.338 -11.216 -11.802 1.00 74.22 H new ATOM 0 HG13 ILE A 66 14.688 -10.140 -10.464 1.00 74.22 H new ATOM 0 HG21 ILE A 66 16.543 -8.439 -10.687 1.00 35.11 H new ATOM 0 HG22 ILE A 66 17.594 -8.470 -12.123 1.00 35.11 H new ATOM 0 HG23 ILE A 66 15.929 -7.856 -12.252 1.00 35.11 H new ATOM 0 HD11 ILE A 66 12.675 -9.428 -11.659 1.00 71.40 H new ATOM 0 HD12 ILE A 66 13.958 -8.204 -11.813 1.00 71.40 H new ATOM 0 HD13 ILE A 66 13.603 -9.298 -13.172 1.00 71.40 H new ATOM 1009 N THR A 67 17.607 -9.398 -15.335 1.00 74.33 N ATOM 1010 CA THR A 67 18.895 -9.089 -15.943 1.00 13.34 C ATOM 1011 C THR A 67 18.864 -7.732 -16.636 1.00 55.42 C ATOM 1012 O THR A 67 19.741 -7.412 -17.439 1.00 71.34 O ATOM 1013 CB THR A 67 19.307 -10.165 -16.964 1.00 64.21 C ATOM 1014 OG1 THR A 67 20.605 -9.868 -17.492 1.00 54.44 O ATOM 1015 CG2 THR A 67 18.299 -10.249 -18.100 1.00 13.42 C ATOM 0 H THR A 67 16.800 -9.149 -15.907 1.00 74.33 H new ATOM 0 HA THR A 67 19.628 -9.065 -15.136 1.00 13.34 H new ATOM 0 HB THR A 67 19.334 -11.127 -16.453 1.00 64.21 H new ATOM 0 HG1 THR A 67 20.671 -8.908 -17.678 1.00 54.44 H new ATOM 0 HG21 THR A 67 18.612 -11.016 -18.808 1.00 13.42 H new ATOM 0 HG22 THR A 67 17.318 -10.505 -17.698 1.00 13.42 H new ATOM 0 HG23 THR A 67 18.243 -9.287 -18.609 1.00 13.42 H new ATOM 1023 N THR A 68 17.848 -6.934 -16.321 1.00 75.21 N ATOM 1024 CA THR A 68 17.702 -5.611 -16.914 1.00 71.04 C ATOM 1025 C THR A 68 16.993 -4.656 -15.961 1.00 40.10 C ATOM 1026 O THR A 68 16.209 -5.079 -15.111 1.00 64.00 O ATOM 1027 CB THR A 68 16.918 -5.672 -18.239 1.00 34.43 C ATOM 1028 OG1 THR A 68 15.579 -6.120 -17.995 1.00 65.33 O ATOM 1029 CG2 THR A 68 17.598 -6.606 -19.228 1.00 63.30 C ATOM 0 H THR A 68 17.114 -7.182 -15.658 1.00 75.21 H new ATOM 0 HA THR A 68 18.708 -5.241 -17.112 1.00 71.04 H new ATOM 0 HB THR A 68 16.894 -4.670 -18.668 1.00 34.43 H new ATOM 0 HG1 THR A 68 15.086 -6.155 -18.841 1.00 65.33 H new ATOM 0 HG21 THR A 68 17.026 -6.633 -20.156 1.00 63.30 H new ATOM 0 HG22 THR A 68 18.606 -6.247 -19.434 1.00 63.30 H new ATOM 0 HG23 THR A 68 17.650 -7.609 -18.805 1.00 63.30 H new ATOM 1037 N VAL A 69 17.273 -3.365 -16.108 1.00 14.41 N ATOM 1038 CA VAL A 69 16.660 -2.349 -15.260 1.00 52.45 C ATOM 1039 C VAL A 69 15.140 -2.466 -15.273 1.00 71.20 C ATOM 1040 O VAL A 69 14.501 -2.481 -14.222 1.00 34.14 O ATOM 1041 CB VAL A 69 17.058 -0.930 -15.708 1.00 53.34 C ATOM 1042 CG1 VAL A 69 16.536 0.107 -14.725 1.00 71.11 C ATOM 1043 CG2 VAL A 69 18.568 -0.822 -15.858 1.00 32.34 C ATOM 0 H VAL A 69 17.920 -2.998 -16.806 1.00 14.41 H new ATOM 0 HA VAL A 69 17.026 -2.519 -14.247 1.00 52.45 H new ATOM 0 HB VAL A 69 16.605 -0.735 -16.680 1.00 53.34 H new ATOM 0 HG11 VAL A 69 16.827 1.103 -15.058 1.00 71.11 H new ATOM 0 HG12 VAL A 69 15.449 0.045 -14.674 1.00 71.11 H new ATOM 0 HG13 VAL A 69 16.957 -0.083 -13.738 1.00 71.11 H new ATOM 0 HG21 VAL A 69 18.831 0.187 -16.175 1.00 32.34 H new ATOM 0 HG22 VAL A 69 19.045 -1.038 -14.902 1.00 32.34 H new ATOM 0 HG23 VAL A 69 18.912 -1.538 -16.605 1.00 32.34 H new ATOM 1053 N GLN A 70 14.568 -2.550 -16.470 1.00 2.30 N ATOM 1054 CA GLN A 70 13.122 -2.666 -16.619 1.00 4.10 C ATOM 1055 C GLN A 70 12.606 -3.935 -15.948 1.00 42.41 C ATOM 1056 O GLN A 70 11.614 -3.904 -15.221 1.00 74.13 O ATOM 1057 CB GLN A 70 12.739 -2.666 -18.100 1.00 4.11 C ATOM 1058 CG GLN A 70 11.348 -2.115 -18.369 1.00 5.33 C ATOM 1059 CD GLN A 70 10.323 -2.602 -17.364 1.00 4.24 C ATOM 1060 OE1 GLN A 70 10.127 -1.834 -16.298 1.00 64.05 O flip ATOM 1061 NE2 GLN A 70 9.714 -3.657 -17.542 1.00 41.12 N flip ATOM 0 H GLN A 70 15.083 -2.540 -17.350 1.00 2.30 H new ATOM 0 HA GLN A 70 12.662 -1.806 -16.132 1.00 4.10 H new ATOM 0 HB2 GLN A 70 13.468 -2.076 -18.655 1.00 4.11 H new ATOM 0 HB3 GLN A 70 12.797 -3.685 -18.482 1.00 4.11 H new ATOM 0 HG2 GLN A 70 11.383 -1.026 -18.348 1.00 5.33 H new ATOM 0 HG3 GLN A 70 11.034 -2.405 -19.372 1.00 5.33 H new ATOM 0 HE21 GLN A 70 9.896 -4.216 -18.375 1.00 41.12 H new ATOM 0 HE22 GLN A 70 9.028 -3.972 -16.856 1.00 41.12 H new ATOM 1070 N ALA A 71 13.287 -5.049 -16.197 1.00 55.35 N ATOM 1071 CA ALA A 71 12.898 -6.328 -15.616 1.00 55.52 C ATOM 1072 C ALA A 71 12.981 -6.287 -14.094 1.00 51.12 C ATOM 1073 O ALA A 71 12.136 -6.853 -13.402 1.00 12.25 O ATOM 1074 CB ALA A 71 13.773 -7.445 -16.165 1.00 53.40 C ATOM 0 H ALA A 71 14.111 -5.091 -16.797 1.00 55.35 H new ATOM 0 HA ALA A 71 11.862 -6.525 -15.892 1.00 55.52 H new ATOM 0 HB1 ALA A 71 13.471 -8.394 -15.722 1.00 53.40 H new ATOM 0 HB2 ALA A 71 13.660 -7.497 -17.248 1.00 53.40 H new ATOM 0 HB3 ALA A 71 14.816 -7.245 -15.919 1.00 53.40 H new ATOM 1080 N ALA A 72 14.006 -5.614 -13.580 1.00 75.51 N ATOM 1081 CA ALA A 72 14.198 -5.499 -12.140 1.00 21.22 C ATOM 1082 C ALA A 72 13.161 -4.569 -11.520 1.00 32.11 C ATOM 1083 O ALA A 72 12.410 -4.967 -10.629 1.00 23.54 O ATOM 1084 CB ALA A 72 15.604 -5.004 -11.833 1.00 72.33 C ATOM 0 H ALA A 72 14.715 -5.141 -14.140 1.00 75.51 H new ATOM 0 HA ALA A 72 14.069 -6.488 -11.701 1.00 21.22 H new ATOM 0 HB1 ALA A 72 15.734 -4.923 -10.754 1.00 72.33 H new ATOM 0 HB2 ALA A 72 16.333 -5.708 -12.234 1.00 72.33 H new ATOM 0 HB3 ALA A 72 15.754 -4.026 -12.291 1.00 72.33 H new ATOM 1090 N ILE A 73 13.125 -3.329 -11.997 1.00 33.45 N ATOM 1091 CA ILE A 73 12.179 -2.344 -11.489 1.00 12.54 C ATOM 1092 C ILE A 73 10.749 -2.869 -11.554 1.00 52.15 C ATOM 1093 O ILE A 73 9.907 -2.511 -10.731 1.00 34.22 O ATOM 1094 CB ILE A 73 12.265 -1.023 -12.276 1.00 3.41 C ATOM 1095 CG1 ILE A 73 11.509 0.085 -11.540 1.00 52.32 C ATOM 1096 CG2 ILE A 73 11.712 -1.206 -13.681 1.00 71.41 C ATOM 1097 CD1 ILE A 73 12.371 0.867 -10.574 1.00 31.33 C ATOM 0 H ILE A 73 13.740 -2.983 -12.734 1.00 33.45 H new ATOM 0 HA ILE A 73 12.447 -2.157 -10.449 1.00 12.54 H new ATOM 0 HB ILE A 73 13.312 -0.732 -12.354 1.00 3.41 H new ATOM 0 HG12 ILE A 73 11.084 0.771 -12.272 1.00 52.32 H new ATOM 0 HG13 ILE A 73 10.675 -0.356 -10.994 1.00 52.32 H new ATOM 0 HG21 ILE A 73 11.780 -0.264 -14.224 1.00 71.41 H new ATOM 0 HG22 ILE A 73 12.290 -1.968 -14.203 1.00 71.41 H new ATOM 0 HG23 ILE A 73 10.669 -1.518 -13.624 1.00 71.41 H new ATOM 0 HD11 ILE A 73 11.769 1.635 -10.089 1.00 31.33 H new ATOM 0 HD12 ILE A 73 12.776 0.193 -9.819 1.00 31.33 H new ATOM 0 HD13 ILE A 73 13.191 1.338 -11.117 1.00 31.33 H new ATOM 1109 N ASP A 74 10.482 -3.721 -12.538 1.00 42.34 N ATOM 1110 CA ASP A 74 9.154 -4.299 -12.711 1.00 4.44 C ATOM 1111 C ASP A 74 8.877 -5.351 -11.641 1.00 51.24 C ATOM 1112 O ASP A 74 7.865 -5.289 -10.943 1.00 11.32 O ATOM 1113 CB ASP A 74 9.022 -4.920 -14.102 1.00 12.02 C ATOM 1114 CG ASP A 74 7.591 -5.295 -14.434 1.00 50.25 C ATOM 1115 OD1 ASP A 74 6.741 -4.383 -14.512 1.00 11.13 O ATOM 1116 OD2 ASP A 74 7.321 -6.500 -14.618 1.00 63.05 O ATOM 0 H ASP A 74 11.168 -4.027 -13.228 1.00 42.34 H new ATOM 0 HA ASP A 74 8.420 -3.500 -12.608 1.00 4.44 H new ATOM 0 HB2 ASP A 74 9.393 -4.217 -14.848 1.00 12.02 H new ATOM 0 HB3 ASP A 74 9.651 -5.808 -14.161 1.00 12.02 H new ATOM 1121 N TYR A 75 9.781 -6.316 -11.520 1.00 60.33 N ATOM 1122 CA TYR A 75 9.632 -7.384 -10.539 1.00 30.21 C ATOM 1123 C TYR A 75 9.372 -6.814 -9.148 1.00 52.31 C ATOM 1124 O TYR A 75 8.397 -7.174 -8.489 1.00 33.14 O ATOM 1125 CB TYR A 75 10.884 -8.263 -10.516 1.00 10.31 C ATOM 1126 CG TYR A 75 10.711 -9.543 -9.730 1.00 2.32 C ATOM 1127 CD1 TYR A 75 10.627 -9.523 -8.343 1.00 30.20 C ATOM 1128 CD2 TYR A 75 10.633 -10.771 -10.373 1.00 63.55 C ATOM 1129 CE1 TYR A 75 10.470 -10.690 -7.620 1.00 72.14 C ATOM 1130 CE2 TYR A 75 10.475 -11.943 -9.659 1.00 74.22 C ATOM 1131 CZ TYR A 75 10.394 -11.897 -8.283 1.00 73.40 C ATOM 1132 OH TYR A 75 10.237 -13.063 -7.568 1.00 1.42 O ATOM 0 H TYR A 75 10.625 -6.381 -12.089 1.00 60.33 H new ATOM 0 HA TYR A 75 8.775 -7.992 -10.829 1.00 30.21 H new ATOM 0 HB2 TYR A 75 11.163 -8.510 -11.540 1.00 10.31 H new ATOM 0 HB3 TYR A 75 11.710 -7.693 -10.090 1.00 10.31 H new ATOM 0 HD1 TYR A 75 10.685 -8.579 -7.821 1.00 30.20 H new ATOM 0 HD2 TYR A 75 10.697 -10.811 -11.450 1.00 63.55 H new ATOM 0 HE1 TYR A 75 10.407 -10.657 -6.542 1.00 72.14 H new ATOM 0 HE2 TYR A 75 10.415 -12.890 -10.175 1.00 74.22 H new ATOM 0 HH TYR A 75 10.807 -13.037 -6.771 1.00 1.42 H new ATOM 1142 N VAL A 76 10.252 -5.920 -8.708 1.00 53.43 N ATOM 1143 CA VAL A 76 10.118 -5.296 -7.397 1.00 30.40 C ATOM 1144 C VAL A 76 8.815 -4.513 -7.291 1.00 55.33 C ATOM 1145 O VAL A 76 8.032 -4.712 -6.363 1.00 63.11 O ATOM 1146 CB VAL A 76 11.298 -4.351 -7.102 1.00 32.22 C ATOM 1147 CG1 VAL A 76 11.135 -3.704 -5.735 1.00 54.21 C ATOM 1148 CG2 VAL A 76 12.617 -5.103 -7.191 1.00 23.04 C ATOM 0 H VAL A 76 11.066 -5.612 -9.240 1.00 53.43 H new ATOM 0 HA VAL A 76 10.115 -6.101 -6.662 1.00 30.40 H new ATOM 0 HB VAL A 76 11.305 -3.561 -7.853 1.00 32.22 H new ATOM 0 HG11 VAL A 76 11.978 -3.040 -5.544 1.00 54.21 H new ATOM 0 HG12 VAL A 76 10.209 -3.130 -5.712 1.00 54.21 H new ATOM 0 HG13 VAL A 76 11.102 -4.478 -4.968 1.00 54.21 H new ATOM 0 HG21 VAL A 76 13.440 -4.420 -6.980 1.00 23.04 H new ATOM 0 HG22 VAL A 76 12.623 -5.915 -6.463 1.00 23.04 H new ATOM 0 HG23 VAL A 76 12.735 -5.514 -8.194 1.00 23.04 H new ATOM 1158 N ASN A 77 8.588 -3.620 -8.250 1.00 34.42 N ATOM 1159 CA ASN A 77 7.378 -2.806 -8.265 1.00 0.22 C ATOM 1160 C ASN A 77 6.131 -3.683 -8.222 1.00 34.23 C ATOM 1161 O ASN A 77 5.076 -3.258 -7.750 1.00 41.12 O ATOM 1162 CB ASN A 77 7.350 -1.921 -9.512 1.00 53.45 C ATOM 1163 CG ASN A 77 6.163 -0.977 -9.525 1.00 53.10 C ATOM 1164 OD1 ASN A 77 5.023 -1.398 -9.723 1.00 51.24 O ATOM 1165 ND2 ASN A 77 6.426 0.307 -9.313 1.00 11.32 N ATOM 0 H ASN A 77 9.226 -3.442 -9.026 1.00 34.42 H new ATOM 0 HA ASN A 77 7.385 -2.173 -7.378 1.00 0.22 H new ATOM 0 HB2 ASN A 77 8.272 -1.342 -9.564 1.00 53.45 H new ATOM 0 HB3 ASN A 77 7.319 -2.551 -10.401 1.00 53.45 H new ATOM 0 HD21 ASN A 77 5.668 0.989 -9.310 1.00 11.32 H new ATOM 0 HD22 ASN A 77 7.386 0.611 -9.153 1.00 11.32 H new ATOM 1172 N SER A 78 6.259 -4.910 -8.717 1.00 24.15 N ATOM 1173 CA SER A 78 5.142 -5.847 -8.738 1.00 1.13 C ATOM 1174 C SER A 78 5.088 -6.658 -7.446 1.00 45.43 C ATOM 1175 O SER A 78 4.024 -7.117 -7.032 1.00 33.02 O ATOM 1176 CB SER A 78 5.260 -6.787 -9.939 1.00 20.12 C ATOM 1177 OG SER A 78 4.062 -7.519 -10.133 1.00 24.31 O ATOM 0 H SER A 78 7.126 -5.278 -9.109 1.00 24.15 H new ATOM 0 HA SER A 78 4.220 -5.272 -8.824 1.00 1.13 H new ATOM 0 HB2 SER A 78 5.487 -6.210 -10.836 1.00 20.12 H new ATOM 0 HB3 SER A 78 6.090 -7.476 -9.785 1.00 20.12 H new ATOM 0 HG SER A 78 4.162 -8.111 -10.907 1.00 24.31 H new ATOM 1183 N HIS A 79 6.245 -6.829 -6.814 1.00 62.43 N ATOM 1184 CA HIS A 79 6.331 -7.584 -5.569 1.00 64.22 C ATOM 1185 C HIS A 79 6.292 -6.650 -4.364 1.00 11.24 C ATOM 1186 O HIS A 79 7.199 -6.656 -3.533 1.00 25.45 O ATOM 1187 CB HIS A 79 7.613 -8.418 -5.541 1.00 53.12 C ATOM 1188 CG HIS A 79 7.535 -9.664 -6.368 1.00 74.22 C ATOM 1189 ND1 HIS A 79 7.296 -9.652 -7.726 1.00 75.52 N ATOM 1190 CD2 HIS A 79 7.667 -10.966 -6.022 1.00 62.02 C ATOM 1191 CE1 HIS A 79 7.283 -10.893 -8.179 1.00 73.34 C ATOM 1192 NE2 HIS A 79 7.506 -11.710 -7.165 1.00 42.44 N ATOM 0 H HIS A 79 7.135 -6.455 -7.143 1.00 62.43 H new ATOM 0 HA HIS A 79 5.471 -8.252 -5.517 1.00 64.22 H new ATOM 0 HB2 HIS A 79 8.442 -7.807 -5.897 1.00 53.12 H new ATOM 0 HB3 HIS A 79 7.837 -8.690 -4.510 1.00 53.12 H new ATOM 0 HD1 HIS A 79 7.152 -8.816 -8.292 1.00 75.52 H new ATOM 0 HD2 HIS A 79 7.863 -11.349 -5.031 1.00 62.02 H new ATOM 0 HE1 HIS A 79 7.118 -11.189 -9.204 1.00 73.34 H new ATOM 1200 N GLN A 80 5.236 -5.848 -4.277 1.00 15.02 N ATOM 1201 CA GLN A 80 5.080 -4.907 -3.174 1.00 32.33 C ATOM 1202 C GLN A 80 4.595 -5.620 -1.915 1.00 42.42 C ATOM 1203 O GLN A 80 4.581 -5.041 -0.828 1.00 54.11 O ATOM 1204 CB GLN A 80 4.098 -3.798 -3.556 1.00 63.12 C ATOM 1205 CG GLN A 80 4.337 -3.226 -4.944 1.00 62.44 C ATOM 1206 CD GLN A 80 3.801 -1.816 -5.095 1.00 72.51 C ATOM 1207 OE1 GLN A 80 3.094 -1.312 -4.222 1.00 70.20 O ATOM 1208 NE2 GLN A 80 4.135 -1.171 -6.207 1.00 30.44 N ATOM 0 H GLN A 80 4.476 -5.831 -4.957 1.00 15.02 H new ATOM 0 HA GLN A 80 6.054 -4.464 -2.967 1.00 32.33 H new ATOM 0 HB2 GLN A 80 3.082 -4.190 -3.503 1.00 63.12 H new ATOM 0 HB3 GLN A 80 4.168 -2.994 -2.824 1.00 63.12 H new ATOM 0 HG2 GLN A 80 5.406 -3.228 -5.154 1.00 62.44 H new ATOM 0 HG3 GLN A 80 3.865 -3.871 -5.685 1.00 62.44 H new ATOM 0 HE21 GLN A 80 4.723 -1.627 -6.904 1.00 30.44 H new ATOM 0 HE22 GLN A 80 3.803 -0.219 -6.364 1.00 30.44 H new TER 1217 GLN A 80