USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 601 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 59 LYS NZ :NH3+ 141:sc= 0.155 (180deg=-2.97!) USER MOD Set 1.2: A 70 GLN : amide:sc= -3.76 K(o=-3.6,f=-14!) USER MOD Set 2.1: A 67 GLN : amide:sc= 0.862 K(o=1.2,f=-4.9!) USER MOD Set 2.2: A 73 TYR OH : rot -94:sc= 0.292 USER MOD Set 3.1: A 60 GLN : amide:sc= 0.4 K(o=0.54,f=-1.8) USER MOD Set 3.2: A 63 LYS NZ :NH3+ -173:sc= 0.144 (180deg=-0.114) USER MOD Set 4.1: A 49 TYR OH : rot -110:sc= 0.19 USER MOD Set 4.2: A 53 SER OG : rot -150:sc= 0.113 USER MOD Set 5.1: A 37 CYS SG : rot -36:sc= -1.79! USER MOD Set 5.2: A 40 CYS SG : rot -157:sc= -1.71! USER MOD Set 6.1: A 24 GLN : amide:sc= -2.24 X(o=-3.2,f=-3.3) USER MOD Set 6.2: A 25 ASN :FLIP amide:sc= -0.985 F(o=-4!,f=-3.2) USER MOD Single : A 1 LEU N :NH3+ -169:sc= 0.912 (180deg=0.834) USER MOD Single : A 9 THR OG1 : rot -140:sc= -3.08! USER MOD Single : A 13 ASN : amide:sc= 1.16 K(o=1.2,f=-0.023) USER MOD Single : A 15 GLN : amide:sc= 0.157 K(o=0.16,f=-0.51) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 1.18 (180deg=1.02) USER MOD Single : A 17 SER OG : rot -55:sc= 0.0484 USER MOD Single : A 18 SER OG : rot -55:sc= 0.0565 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.338 K(o=0.34,f=-1.8) USER MOD Single : A 34 ASN : amide:sc= -0.796 K(o=-0.8,f=-6.9!) USER MOD Single : A 35 TYR OH : rot -135:sc= 0.776 USER MOD Single : A 36 HIS : no HE2:sc= -4.55 K(o=-4.5,f=-7.2!) USER MOD Single : A 38 GLN : amide:sc= 0.0503 X(o=0.05,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0497 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= 1.66 (180deg=1.38) USER MOD Single : A 58 ASN : amide:sc= -0.681 K(o=-0.68,f=-9.6!) USER MOD Single : A 66 GLN : amide:sc= 0.555 K(o=0.56,f=-4.9!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 38.497 -25.485 -4.283 1.00 0.00 N ATOM 2 CA LEU A 1 39.081 -25.356 -2.909 1.00 0.00 C ATOM 3 C LEU A 1 38.967 -23.892 -2.448 1.00 0.00 C ATOM 4 O LEU A 1 39.525 -22.999 -3.064 1.00 0.00 O ATOM 5 CB LEU A 1 40.566 -25.802 -2.915 1.00 0.00 C ATOM 6 CG LEU A 1 40.873 -26.752 -1.736 1.00 0.00 C ATOM 7 CD1 LEU A 1 40.571 -26.070 -0.396 1.00 0.00 C ATOM 8 CD2 LEU A 1 40.034 -28.031 -1.852 1.00 0.00 C ATOM 0 H1 LEU A 1 38.400 -26.492 -4.526 1.00 0.00 H new ATOM 0 H2 LEU A 1 37.562 -25.031 -4.307 1.00 0.00 H new ATOM 0 H3 LEU A 1 39.124 -25.022 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 1 38.532 -25.997 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 1 40.794 -26.302 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 1 41.211 -24.925 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 1 41.932 -27.006 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 1 40.794 -26.757 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 1 41.186 -25.176 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 1 39.518 -25.792 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 1 40.260 -28.692 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 1 38.975 -27.774 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 1 40.270 -28.537 -2.788 1.00 0.00 H new ATOM 22 N GLU A 2 38.219 -23.653 -1.391 1.00 0.00 N ATOM 23 CA GLU A 2 38.016 -22.257 -0.883 1.00 0.00 C ATOM 24 C GLU A 2 38.498 -22.163 0.576 1.00 0.00 C ATOM 25 O GLU A 2 38.178 -23.012 1.399 1.00 0.00 O ATOM 26 CB GLU A 2 36.520 -21.902 -0.956 1.00 0.00 C ATOM 27 CG GLU A 2 35.980 -22.065 -2.400 1.00 0.00 C ATOM 28 CD GLU A 2 35.534 -23.515 -2.668 1.00 0.00 C ATOM 29 OE1 GLU A 2 34.640 -23.985 -1.984 1.00 0.00 O ATOM 30 OE2 GLU A 2 36.097 -24.132 -3.555 1.00 0.00 O ATOM 0 H GLU A 2 37.737 -24.375 -0.855 1.00 0.00 H new ATOM 0 HA GLU A 2 38.587 -21.559 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 2 35.957 -22.544 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 2 36.369 -20.876 -0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 2 35.139 -21.389 -2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 2 36.753 -21.782 -3.114 1.00 0.00 H new ATOM 37 N ASP A 3 39.255 -21.133 0.898 1.00 0.00 N ATOM 38 CA ASP A 3 39.772 -20.955 2.293 1.00 0.00 C ATOM 39 C ASP A 3 39.057 -19.763 2.979 1.00 0.00 C ATOM 40 O ASP A 3 39.680 -18.896 3.578 1.00 0.00 O ATOM 41 CB ASP A 3 41.295 -20.734 2.226 1.00 0.00 C ATOM 42 CG ASP A 3 41.968 -21.488 3.368 1.00 0.00 C ATOM 43 OD1 ASP A 3 41.960 -20.981 4.476 1.00 0.00 O ATOM 44 OD2 ASP A 3 42.452 -22.582 3.124 1.00 0.00 O ATOM 0 H ASP A 3 39.537 -20.403 0.244 1.00 0.00 H new ATOM 0 HA ASP A 3 39.568 -21.844 2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 3 41.682 -21.082 1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 3 41.522 -19.670 2.294 1.00 0.00 H new ATOM 49 N ARG A 4 37.739 -19.725 2.901 1.00 0.00 N ATOM 50 CA ARG A 4 36.953 -18.611 3.548 1.00 0.00 C ATOM 51 C ARG A 4 36.792 -18.877 5.074 1.00 0.00 C ATOM 52 O ARG A 4 35.699 -19.081 5.580 1.00 0.00 O ATOM 53 CB ARG A 4 35.583 -18.446 2.849 1.00 0.00 C ATOM 54 CG ARG A 4 34.787 -19.758 2.863 1.00 0.00 C ATOM 55 CD ARG A 4 34.299 -20.076 1.451 1.00 0.00 C ATOM 56 NE ARG A 4 33.448 -21.304 1.493 1.00 0.00 N ATOM 57 CZ ARG A 4 33.533 -22.196 0.552 1.00 0.00 C ATOM 58 NH1 ARG A 4 33.080 -21.932 -0.634 1.00 0.00 N ATOM 59 NH2 ARG A 4 34.074 -23.347 0.801 1.00 0.00 N ATOM 0 H ARG A 4 37.172 -20.420 2.415 1.00 0.00 H new ATOM 0 HA ARG A 4 37.499 -17.675 3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 4 35.009 -17.665 3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 4 35.735 -18.121 1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 4 35.412 -20.570 3.234 1.00 0.00 H new ATOM 0 HG3 ARG A 4 33.938 -19.673 3.542 1.00 0.00 H new ATOM 0 HD2 ARG A 4 33.729 -19.237 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 4 35.148 -20.230 0.785 1.00 0.00 H new ATOM 0 HE ARG A 4 32.796 -21.443 2.265 1.00 0.00 H new ATOM 0 HH11 ARG A 4 32.657 -21.024 -0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 4 33.147 -22.632 -1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 4 34.432 -23.551 1.734 1.00 0.00 H new ATOM 0 HH22 ARG A 4 34.142 -24.049 0.064 1.00 0.00 H new ATOM 73 N ARG A 5 37.896 -18.870 5.801 1.00 0.00 N ATOM 74 CA ARG A 5 37.867 -19.112 7.285 1.00 0.00 C ATOM 75 C ARG A 5 37.937 -17.761 8.031 1.00 0.00 C ATOM 76 O ARG A 5 37.106 -17.488 8.876 1.00 0.00 O ATOM 77 CB ARG A 5 39.063 -19.996 7.676 1.00 0.00 C ATOM 78 CG ARG A 5 38.930 -21.375 7.012 1.00 0.00 C ATOM 79 CD ARG A 5 39.940 -22.344 7.634 1.00 0.00 C ATOM 80 NE ARG A 5 39.980 -23.612 6.832 1.00 0.00 N ATOM 81 CZ ARG A 5 40.659 -23.667 5.724 1.00 0.00 C ATOM 82 NH1 ARG A 5 41.952 -23.740 5.761 1.00 0.00 N ATOM 83 NH2 ARG A 5 40.039 -23.653 4.586 1.00 0.00 N ATOM 0 H ARG A 5 38.827 -18.704 5.420 1.00 0.00 H new ATOM 0 HA ARG A 5 36.941 -19.618 7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 5 39.994 -19.521 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 5 39.106 -20.107 8.760 1.00 0.00 H new ATOM 0 HG2 ARG A 5 37.917 -21.756 7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 5 39.104 -21.292 5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 5 40.929 -21.887 7.660 1.00 0.00 H new ATOM 0 HD3 ARG A 5 39.662 -22.562 8.665 1.00 0.00 H new ATOM 0 HE ARG A 5 39.472 -24.435 7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 5 42.437 -23.754 6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 5 42.485 -23.783 4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 5 39.021 -23.599 4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 5 40.569 -23.696 3.716 1.00 0.00 H new ATOM 97 N ILE A 6 38.918 -16.915 7.685 1.00 0.00 N ATOM 98 CA ILE A 6 39.105 -15.551 8.307 1.00 0.00 C ATOM 99 C ILE A 6 39.566 -15.698 9.796 1.00 0.00 C ATOM 100 O ILE A 6 38.986 -16.465 10.540 1.00 0.00 O ATOM 101 CB ILE A 6 37.811 -14.684 8.210 1.00 0.00 C ATOM 102 CG1 ILE A 6 36.946 -15.028 6.974 1.00 0.00 C ATOM 103 CG2 ILE A 6 38.193 -13.211 8.082 1.00 0.00 C ATOM 104 CD1 ILE A 6 35.488 -14.645 7.247 1.00 0.00 C ATOM 0 H ILE A 6 39.613 -17.134 6.971 1.00 0.00 H new ATOM 0 HA ILE A 6 39.881 -15.031 7.745 1.00 0.00 H new ATOM 0 HB ILE A 6 37.238 -14.890 9.114 1.00 0.00 H new ATOM 0 HG12 ILE A 6 37.315 -14.494 6.099 1.00 0.00 H new ATOM 0 HG13 ILE A 6 37.018 -16.093 6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 6 37.289 -12.605 8.014 1.00 0.00 H new ATOM 0 HG22 ILE A 6 38.769 -12.907 8.956 1.00 0.00 H new ATOM 0 HG23 ILE A 6 38.794 -13.068 7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.879 -14.887 6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 6 35.122 -15.199 8.111 1.00 0.00 H new ATOM 0 HD13 ILE A 6 35.424 -13.576 7.448 1.00 0.00 H new ATOM 116 N PRO A 7 40.615 -14.958 10.188 1.00 0.00 N ATOM 117 CA PRO A 7 41.165 -14.998 11.567 1.00 0.00 C ATOM 118 C PRO A 7 40.206 -14.327 12.601 1.00 0.00 C ATOM 119 O PRO A 7 39.014 -14.333 12.381 1.00 0.00 O ATOM 120 CB PRO A 7 42.527 -14.311 11.442 1.00 0.00 C ATOM 121 CG PRO A 7 42.455 -13.462 10.181 1.00 0.00 C ATOM 122 CD PRO A 7 41.335 -14.040 9.309 1.00 0.00 C ATOM 0 HA PRO A 7 41.271 -16.011 11.956 1.00 0.00 H new ATOM 0 HB2 PRO A 7 42.734 -13.694 12.316 1.00 0.00 H new ATOM 0 HB3 PRO A 7 43.329 -15.045 11.373 1.00 0.00 H new ATOM 0 HG2 PRO A 7 42.251 -12.421 10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 7 43.406 -13.482 9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 7 40.679 -13.254 8.935 1.00 0.00 H new ATOM 0 HD3 PRO A 7 41.738 -14.559 8.440 1.00 0.00 H new ATOM 130 N GLY A 8 40.725 -13.769 13.721 1.00 0.00 N ATOM 131 CA GLY A 8 39.888 -13.093 14.814 1.00 0.00 C ATOM 132 C GLY A 8 38.576 -12.522 14.266 1.00 0.00 C ATOM 133 O GLY A 8 37.538 -12.791 14.785 1.00 0.00 O ATOM 0 H GLY A 8 41.726 -13.760 13.918 1.00 0.00 H new ATOM 0 HA2 GLY A 8 39.668 -13.815 15.600 1.00 0.00 H new ATOM 0 HA3 GLY A 8 40.469 -12.292 15.271 1.00 0.00 H new ATOM 137 N THR A 9 38.659 -11.775 13.188 1.00 0.00 N ATOM 138 CA THR A 9 37.472 -11.173 12.458 1.00 0.00 C ATOM 139 C THR A 9 36.260 -12.138 12.369 1.00 0.00 C ATOM 140 O THR A 9 35.143 -11.693 12.439 1.00 0.00 O ATOM 141 CB THR A 9 37.916 -10.822 11.025 1.00 0.00 C ATOM 142 OG1 THR A 9 38.853 -11.786 10.546 1.00 0.00 O ATOM 143 CG2 THR A 9 38.603 -9.472 11.031 1.00 0.00 C ATOM 0 H THR A 9 39.552 -11.541 12.754 1.00 0.00 H new ATOM 0 HA THR A 9 37.151 -10.296 13.020 1.00 0.00 H new ATOM 0 HB THR A 9 37.035 -10.809 10.383 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.558 -11.333 10.039 1.00 0.00 H new ATOM 0 HG21 THR A 9 38.919 -9.220 10.019 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.910 -8.713 11.395 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.475 -9.510 11.684 1.00 0.00 H new ATOM 151 N ALA A 10 36.473 -13.440 12.238 1.00 0.00 N ATOM 152 CA ALA A 10 35.327 -14.432 12.186 1.00 0.00 C ATOM 153 C ALA A 10 34.789 -14.611 13.621 1.00 0.00 C ATOM 154 O ALA A 10 33.603 -14.486 13.865 1.00 0.00 O ATOM 155 CB ALA A 10 35.837 -15.760 11.634 1.00 0.00 C ATOM 0 H ALA A 10 37.399 -13.861 12.164 1.00 0.00 H new ATOM 0 HA ALA A 10 34.528 -14.074 11.537 1.00 0.00 H new ATOM 0 HB1 ALA A 10 35.017 -16.477 11.595 1.00 0.00 H new ATOM 0 HB2 ALA A 10 36.235 -15.608 10.631 1.00 0.00 H new ATOM 0 HB3 ALA A 10 36.624 -16.145 12.282 1.00 0.00 H new ATOM 161 N GLU A 11 35.674 -14.816 14.575 1.00 0.00 N ATOM 162 CA GLU A 11 35.263 -14.888 16.031 1.00 0.00 C ATOM 163 C GLU A 11 34.634 -13.509 16.394 1.00 0.00 C ATOM 164 O GLU A 11 33.616 -13.419 17.066 1.00 0.00 O ATOM 165 CB GLU A 11 36.514 -15.124 16.907 1.00 0.00 C ATOM 166 CG GLU A 11 37.168 -16.476 16.565 1.00 0.00 C ATOM 167 CD GLU A 11 38.433 -16.248 15.730 1.00 0.00 C ATOM 168 OE1 GLU A 11 38.311 -16.160 14.523 1.00 0.00 O ATOM 169 OE2 GLU A 11 39.499 -16.157 16.314 1.00 0.00 O ATOM 0 H GLU A 11 36.673 -14.938 14.411 1.00 0.00 H new ATOM 0 HA GLU A 11 34.557 -15.701 16.199 1.00 0.00 H new ATOM 0 HB2 GLU A 11 37.231 -14.318 16.752 1.00 0.00 H new ATOM 0 HB3 GLU A 11 36.236 -15.105 17.961 1.00 0.00 H new ATOM 0 HG2 GLU A 11 37.418 -17.011 17.481 1.00 0.00 H new ATOM 0 HG3 GLU A 11 36.465 -17.100 16.013 1.00 0.00 H new ATOM 176 N GLU A 12 35.240 -12.449 15.873 1.00 0.00 N ATOM 177 CA GLU A 12 34.783 -11.047 16.038 1.00 0.00 C ATOM 178 C GLU A 12 33.416 -10.866 15.319 1.00 0.00 C ATOM 179 O GLU A 12 32.576 -10.130 15.775 1.00 0.00 O ATOM 180 CB GLU A 12 35.898 -10.166 15.396 1.00 0.00 C ATOM 181 CG GLU A 12 35.335 -8.876 14.775 1.00 0.00 C ATOM 182 CD GLU A 12 34.809 -7.857 15.821 1.00 0.00 C ATOM 183 OE1 GLU A 12 34.615 -8.205 16.981 1.00 0.00 O ATOM 184 OE2 GLU A 12 34.594 -6.727 15.429 1.00 0.00 O ATOM 0 H GLU A 12 36.085 -12.527 15.307 1.00 0.00 H new ATOM 0 HA GLU A 12 34.631 -10.768 17.081 1.00 0.00 H new ATOM 0 HB2 GLU A 12 36.637 -9.909 16.155 1.00 0.00 H new ATOM 0 HB3 GLU A 12 36.416 -10.741 14.628 1.00 0.00 H new ATOM 0 HG2 GLU A 12 36.114 -8.401 14.178 1.00 0.00 H new ATOM 0 HG3 GLU A 12 34.524 -9.135 14.094 1.00 0.00 H new ATOM 191 N ASN A 13 33.210 -11.543 14.198 1.00 0.00 N ATOM 192 CA ASN A 13 31.921 -11.454 13.406 1.00 0.00 C ATOM 193 C ASN A 13 30.689 -11.638 14.310 1.00 0.00 C ATOM 194 O ASN A 13 29.659 -11.018 14.105 1.00 0.00 O ATOM 195 CB ASN A 13 31.950 -12.532 12.306 1.00 0.00 C ATOM 196 CG ASN A 13 32.061 -11.898 10.931 1.00 0.00 C ATOM 197 OD1 ASN A 13 31.183 -12.030 10.113 1.00 0.00 O ATOM 198 ND2 ASN A 13 33.116 -11.211 10.640 1.00 0.00 N ATOM 0 H ASN A 13 33.902 -12.171 13.788 1.00 0.00 H new ATOM 0 HA ASN A 13 31.843 -10.463 12.959 1.00 0.00 H new ATOM 0 HB2 ASN A 13 32.793 -13.203 12.471 1.00 0.00 H new ATOM 0 HB3 ASN A 13 31.045 -13.137 12.360 1.00 0.00 H new ATOM 0 HD21 ASN A 13 33.207 -10.781 9.720 1.00 0.00 H new ATOM 0 HD22 ASN A 13 33.858 -11.099 11.331 1.00 0.00 H new ATOM 205 N LEU A 14 30.816 -12.446 15.323 1.00 0.00 N ATOM 206 CA LEU A 14 29.700 -12.661 16.305 1.00 0.00 C ATOM 207 C LEU A 14 29.693 -11.516 17.356 1.00 0.00 C ATOM 208 O LEU A 14 28.642 -11.058 17.767 1.00 0.00 O ATOM 209 CB LEU A 14 29.882 -14.009 16.993 1.00 0.00 C ATOM 210 CG LEU A 14 29.119 -15.051 16.177 1.00 0.00 C ATOM 211 CD1 LEU A 14 30.105 -15.912 15.404 1.00 0.00 C ATOM 212 CD2 LEU A 14 28.289 -15.919 17.109 1.00 0.00 C ATOM 0 H LEU A 14 31.661 -12.981 15.522 1.00 0.00 H new ATOM 0 HA LEU A 14 28.746 -12.656 15.778 1.00 0.00 H new ATOM 0 HB2 LEU A 14 30.939 -14.269 17.053 1.00 0.00 H new ATOM 0 HB3 LEU A 14 29.504 -13.971 18.015 1.00 0.00 H new ATOM 0 HG LEU A 14 28.455 -14.549 15.473 1.00 0.00 H new ATOM 0 HD11 LEU A 14 29.560 -16.655 14.822 1.00 0.00 H new ATOM 0 HD12 LEU A 14 30.689 -15.283 14.733 1.00 0.00 H new ATOM 0 HD13 LEU A 14 30.773 -16.416 16.102 1.00 0.00 H new ATOM 0 HD21 LEU A 14 27.745 -16.662 16.526 1.00 0.00 H new ATOM 0 HD22 LEU A 14 28.946 -16.424 17.818 1.00 0.00 H new ATOM 0 HD23 LEU A 14 27.580 -15.295 17.653 1.00 0.00 H new ATOM 224 N GLN A 15 30.867 -11.053 17.773 1.00 0.00 N ATOM 225 CA GLN A 15 30.982 -9.943 18.791 1.00 0.00 C ATOM 226 C GLN A 15 30.723 -8.543 18.165 1.00 0.00 C ATOM 227 O GLN A 15 29.919 -7.789 18.683 1.00 0.00 O ATOM 228 CB GLN A 15 32.405 -9.984 19.391 1.00 0.00 C ATOM 229 CG GLN A 15 32.605 -8.835 20.399 1.00 0.00 C ATOM 230 CD GLN A 15 34.083 -8.719 20.790 1.00 0.00 C ATOM 231 OE1 GLN A 15 34.427 -8.891 21.935 1.00 0.00 O ATOM 232 NE2 GLN A 15 34.979 -8.427 19.891 1.00 0.00 N ATOM 0 H GLN A 15 31.764 -11.408 17.441 1.00 0.00 H new ATOM 0 HA GLN A 15 30.224 -10.098 19.559 1.00 0.00 H new ATOM 0 HB2 GLN A 15 32.569 -10.941 19.886 1.00 0.00 H new ATOM 0 HB3 GLN A 15 33.144 -9.907 18.593 1.00 0.00 H new ATOM 0 HG2 GLN A 15 32.263 -7.896 19.963 1.00 0.00 H new ATOM 0 HG3 GLN A 15 32.000 -9.013 21.288 1.00 0.00 H new ATOM 0 HE21 GLN A 15 34.699 -8.280 18.921 1.00 0.00 H new ATOM 0 HE22 GLN A 15 35.960 -8.346 20.157 1.00 0.00 H new ATOM 241 N LYS A 16 31.427 -8.188 17.093 1.00 0.00 N ATOM 242 CA LYS A 16 31.287 -6.829 16.434 1.00 0.00 C ATOM 243 C LYS A 16 31.858 -5.723 17.369 1.00 0.00 C ATOM 244 O LYS A 16 31.303 -4.640 17.491 1.00 0.00 O ATOM 245 CB LYS A 16 29.805 -6.545 16.078 1.00 0.00 C ATOM 246 CG LYS A 16 29.619 -6.574 14.555 1.00 0.00 C ATOM 247 CD LYS A 16 29.292 -8.001 14.101 1.00 0.00 C ATOM 248 CE LYS A 16 27.844 -8.361 14.475 1.00 0.00 C ATOM 249 NZ LYS A 16 27.850 -9.478 15.469 1.00 0.00 N ATOM 0 H LYS A 16 32.107 -8.799 16.640 1.00 0.00 H new ATOM 0 HA LYS A 16 31.859 -6.826 15.506 1.00 0.00 H new ATOM 0 HB2 LYS A 16 29.160 -7.289 16.546 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.507 -5.573 16.471 1.00 0.00 H new ATOM 0 HG2 LYS A 16 28.816 -5.897 14.264 1.00 0.00 H new ATOM 0 HG3 LYS A 16 30.526 -6.224 14.062 1.00 0.00 H new ATOM 0 HD2 LYS A 16 29.429 -8.087 13.023 1.00 0.00 H new ATOM 0 HD3 LYS A 16 29.981 -8.705 14.567 1.00 0.00 H new ATOM 0 HE2 LYS A 16 27.338 -7.491 14.893 1.00 0.00 H new ATOM 0 HE3 LYS A 16 27.289 -8.655 13.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 26.884 -9.847 15.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 28.474 -10.239 15.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 28.196 -9.126 16.385 1.00 0.00 H new ATOM 263 N SER A 17 32.979 -5.995 18.019 1.00 0.00 N ATOM 264 CA SER A 17 33.620 -4.989 18.941 1.00 0.00 C ATOM 265 C SER A 17 35.169 -5.098 18.869 1.00 0.00 C ATOM 266 O SER A 17 35.857 -5.025 19.878 1.00 0.00 O ATOM 267 CB SER A 17 33.127 -5.246 20.373 1.00 0.00 C ATOM 268 OG SER A 17 33.384 -4.096 21.175 1.00 0.00 O ATOM 0 H SER A 17 33.479 -6.881 17.947 1.00 0.00 H new ATOM 0 HA SER A 17 33.341 -3.981 18.635 1.00 0.00 H new ATOM 0 HB2 SER A 17 32.060 -5.468 20.368 1.00 0.00 H new ATOM 0 HB3 SER A 17 33.632 -6.116 20.793 1.00 0.00 H new ATOM 0 HG SER A 17 34.335 -3.865 21.120 1.00 0.00 H new ATOM 274 N SER A 18 35.718 -5.270 17.677 1.00 0.00 N ATOM 275 CA SER A 18 37.214 -5.388 17.509 1.00 0.00 C ATOM 276 C SER A 18 37.679 -4.722 16.180 1.00 0.00 C ATOM 277 O SER A 18 38.612 -5.185 15.536 1.00 0.00 O ATOM 278 CB SER A 18 37.589 -6.878 17.515 1.00 0.00 C ATOM 279 OG SER A 18 38.977 -7.015 17.810 1.00 0.00 O ATOM 0 H SER A 18 35.188 -5.334 16.808 1.00 0.00 H new ATOM 0 HA SER A 18 37.712 -4.872 18.330 1.00 0.00 H new ATOM 0 HB2 SER A 18 36.994 -7.411 18.256 1.00 0.00 H new ATOM 0 HB3 SER A 18 37.366 -7.325 16.546 1.00 0.00 H new ATOM 0 HG SER A 18 39.500 -6.481 17.176 1.00 0.00 H new ATOM 285 N GLY A 19 37.044 -3.630 15.773 1.00 0.00 N ATOM 286 CA GLY A 19 37.438 -2.925 14.498 1.00 0.00 C ATOM 287 C GLY A 19 38.412 -1.777 14.804 1.00 0.00 C ATOM 288 O GLY A 19 37.997 -0.647 14.990 1.00 0.00 O ATOM 0 H GLY A 19 36.267 -3.199 16.274 1.00 0.00 H new ATOM 0 HA2 GLY A 19 37.903 -3.633 13.812 1.00 0.00 H new ATOM 0 HA3 GLY A 19 36.550 -2.535 14.000 1.00 0.00 H new ATOM 292 N GLY A 20 39.702 -2.063 14.856 1.00 0.00 N ATOM 293 CA GLY A 20 40.729 -0.997 15.151 1.00 0.00 C ATOM 294 C GLY A 20 41.353 -0.478 13.846 1.00 0.00 C ATOM 295 O GLY A 20 42.490 -0.790 13.538 1.00 0.00 O ATOM 0 H GLY A 20 40.088 -2.995 14.706 1.00 0.00 H new ATOM 0 HA2 GLY A 20 40.262 -0.173 15.691 1.00 0.00 H new ATOM 0 HA3 GLY A 20 41.507 -1.402 15.798 1.00 0.00 H new ATOM 299 N VAL A 21 40.617 0.311 13.084 1.00 0.00 N ATOM 300 CA VAL A 21 41.151 0.867 11.787 1.00 0.00 C ATOM 301 C VAL A 21 41.498 2.376 11.947 1.00 0.00 C ATOM 302 O VAL A 21 40.608 3.197 12.083 1.00 0.00 O ATOM 303 CB VAL A 21 40.127 0.660 10.646 1.00 0.00 C ATOM 304 CG1 VAL A 21 40.122 -0.812 10.233 1.00 0.00 C ATOM 305 CG2 VAL A 21 38.710 1.049 11.081 1.00 0.00 C ATOM 0 H VAL A 21 39.663 0.595 13.307 1.00 0.00 H new ATOM 0 HA VAL A 21 42.063 0.330 11.528 1.00 0.00 H new ATOM 0 HB VAL A 21 40.422 1.298 9.813 1.00 0.00 H new ATOM 0 HG11 VAL A 21 39.401 -0.962 9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 21 41.116 -1.096 9.887 1.00 0.00 H new ATOM 0 HG13 VAL A 21 39.845 -1.429 11.088 1.00 0.00 H new ATOM 0 HG21 VAL A 21 38.019 0.890 10.253 1.00 0.00 H new ATOM 0 HG22 VAL A 21 38.408 0.434 11.929 1.00 0.00 H new ATOM 0 HG23 VAL A 21 38.694 2.100 11.370 1.00 0.00 H new ATOM 315 N PRO A 22 42.795 2.704 11.938 1.00 0.00 N ATOM 316 CA PRO A 22 43.268 4.112 12.088 1.00 0.00 C ATOM 317 C PRO A 22 43.098 4.944 10.800 1.00 0.00 C ATOM 318 O PRO A 22 42.691 6.090 10.846 1.00 0.00 O ATOM 319 CB PRO A 22 44.747 3.955 12.466 1.00 0.00 C ATOM 320 CG PRO A 22 45.185 2.558 11.964 1.00 0.00 C ATOM 321 CD PRO A 22 43.903 1.722 11.792 1.00 0.00 C ATOM 0 HA PRO A 22 42.688 4.659 12.832 1.00 0.00 H new ATOM 0 HB2 PRO A 22 45.350 4.738 12.007 1.00 0.00 H new ATOM 0 HB3 PRO A 22 44.883 4.039 13.544 1.00 0.00 H new ATOM 0 HG2 PRO A 22 45.723 2.638 11.020 1.00 0.00 H new ATOM 0 HG3 PRO A 22 45.861 2.086 12.677 1.00 0.00 H new ATOM 0 HD2 PRO A 22 43.875 1.234 10.818 1.00 0.00 H new ATOM 0 HD3 PRO A 22 43.838 0.936 12.544 1.00 0.00 H new ATOM 329 N GLY A 23 43.416 4.367 9.671 1.00 0.00 N ATOM 330 CA GLY A 23 43.296 5.081 8.344 1.00 0.00 C ATOM 331 C GLY A 23 44.365 6.184 8.218 1.00 0.00 C ATOM 332 O GLY A 23 44.041 7.341 8.022 1.00 0.00 O ATOM 0 H GLY A 23 43.762 3.410 9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 23 43.407 4.365 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 23 42.302 5.519 8.250 1.00 0.00 H new ATOM 336 N GLN A 24 45.635 5.829 8.322 1.00 0.00 N ATOM 337 CA GLN A 24 46.748 6.857 8.215 1.00 0.00 C ATOM 338 C GLN A 24 47.037 7.321 6.757 1.00 0.00 C ATOM 339 O GLN A 24 47.945 8.108 6.532 1.00 0.00 O ATOM 340 CB GLN A 24 48.044 6.313 8.857 1.00 0.00 C ATOM 341 CG GLN A 24 48.477 4.978 8.217 1.00 0.00 C ATOM 342 CD GLN A 24 49.296 5.221 6.940 1.00 0.00 C ATOM 343 OE1 GLN A 24 48.833 4.943 5.854 1.00 0.00 O ATOM 344 NE2 GLN A 24 50.490 5.728 7.018 1.00 0.00 N ATOM 0 H GLN A 24 45.953 4.872 8.476 1.00 0.00 H new ATOM 0 HA GLN A 24 46.398 7.736 8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 24 48.842 7.047 8.745 1.00 0.00 H new ATOM 0 HB3 GLN A 24 47.889 6.171 9.927 1.00 0.00 H new ATOM 0 HG2 GLN A 24 49.069 4.404 8.930 1.00 0.00 H new ATOM 0 HG3 GLN A 24 47.596 4.381 7.981 1.00 0.00 H new ATOM 0 HE21 GLN A 24 50.885 5.964 7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 24 51.032 5.890 6.169 1.00 0.00 H new ATOM 353 N ASN A 25 46.286 6.860 5.781 1.00 0.00 N ATOM 354 CA ASN A 25 46.526 7.277 4.356 1.00 0.00 C ATOM 355 C ASN A 25 45.716 8.534 4.006 1.00 0.00 C ATOM 356 O ASN A 25 46.234 9.477 3.437 1.00 0.00 O ATOM 357 CB ASN A 25 46.149 6.117 3.420 1.00 0.00 C ATOM 358 CG ASN A 25 47.239 5.934 2.364 1.00 0.00 C ATOM 359 OD1 ASN A 25 48.302 5.242 2.647 1.00 0.00 O flip ATOM 360 ND2 ASN A 25 47.122 6.431 1.270 1.00 0.00 N flip ATOM 0 H ASN A 25 45.512 6.209 5.910 1.00 0.00 H new ATOM 0 HA ASN A 25 47.581 7.518 4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 25 46.027 5.198 3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 25 45.193 6.321 2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 25 46.289 6.975 1.043 1.00 0.00 H new ATOM 0 HD22 ASN A 25 47.856 6.307 0.572 1.00 0.00 H new ATOM 367 N THR A 26 44.456 8.530 4.353 1.00 0.00 N ATOM 368 CA THR A 26 43.534 9.702 4.067 1.00 0.00 C ATOM 369 C THR A 26 44.041 11.003 4.722 1.00 0.00 C ATOM 370 O THR A 26 44.104 12.047 4.091 1.00 0.00 O ATOM 371 CB THR A 26 42.092 9.375 4.545 1.00 0.00 C ATOM 372 OG1 THR A 26 41.239 10.473 4.260 1.00 0.00 O ATOM 373 CG2 THR A 26 42.052 9.094 6.057 1.00 0.00 C ATOM 0 H THR A 26 44.005 7.752 4.834 1.00 0.00 H new ATOM 0 HA THR A 26 43.525 9.864 2.989 1.00 0.00 H new ATOM 0 HB THR A 26 41.757 8.482 4.017 1.00 0.00 H new ATOM 0 HG1 THR A 26 40.329 10.267 4.560 1.00 0.00 H new ATOM 0 HG21 THR A 26 41.029 8.869 6.358 1.00 0.00 H new ATOM 0 HG22 THR A 26 42.693 8.243 6.286 1.00 0.00 H new ATOM 0 HG23 THR A 26 42.405 9.971 6.600 1.00 0.00 H new ATOM 381 N GLY A 27 44.409 10.928 5.967 1.00 0.00 N ATOM 382 CA GLY A 27 44.924 12.127 6.712 1.00 0.00 C ATOM 383 C GLY A 27 45.841 11.688 7.858 1.00 0.00 C ATOM 384 O GLY A 27 45.733 12.195 8.956 1.00 0.00 O ATOM 0 H GLY A 27 44.377 10.071 6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 27 45.469 12.780 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 27 44.088 12.705 7.107 1.00 0.00 H new ATOM 388 N GLY A 28 46.740 10.752 7.604 1.00 0.00 N ATOM 389 CA GLY A 28 47.668 10.266 8.677 1.00 0.00 C ATOM 390 C GLY A 28 49.099 10.779 8.442 1.00 0.00 C ATOM 391 O GLY A 28 49.307 11.922 8.057 1.00 0.00 O ATOM 0 H GLY A 28 46.866 10.306 6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 28 47.312 10.603 9.651 1.00 0.00 H new ATOM 0 HA3 GLY A 28 47.667 9.176 8.697 1.00 0.00 H new ATOM 395 N GLN A 29 50.081 9.934 8.681 1.00 0.00 N ATOM 396 CA GLN A 29 51.531 10.328 8.498 1.00 0.00 C ATOM 397 C GLN A 29 52.296 9.239 7.720 1.00 0.00 C ATOM 398 O GLN A 29 51.907 8.083 7.716 1.00 0.00 O ATOM 399 CB GLN A 29 52.230 10.553 9.872 1.00 0.00 C ATOM 400 CG GLN A 29 51.588 9.732 11.025 1.00 0.00 C ATOM 401 CD GLN A 29 51.608 8.223 10.728 1.00 0.00 C ATOM 402 OE1 GLN A 29 50.569 7.618 10.563 1.00 0.00 O ATOM 403 NE2 GLN A 29 52.735 7.588 10.645 1.00 0.00 N ATOM 0 H GLN A 29 49.942 8.975 8.999 1.00 0.00 H new ATOM 0 HA GLN A 29 51.546 11.260 7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.283 10.284 9.785 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.191 11.613 10.123 1.00 0.00 H new ATOM 0 HG2 GLN A 29 52.125 9.927 11.953 1.00 0.00 H new ATOM 0 HG3 GLN A 29 50.559 10.060 11.176 1.00 0.00 H new ATOM 0 HE21 GLN A 29 53.613 8.088 10.782 1.00 0.00 H new ATOM 0 HE22 GLN A 29 52.743 6.588 10.443 1.00 0.00 H new ATOM 412 N GLU A 30 53.392 9.617 7.065 1.00 0.00 N ATOM 413 CA GLU A 30 54.258 8.645 6.274 1.00 0.00 C ATOM 414 C GLU A 30 53.526 7.992 5.059 1.00 0.00 C ATOM 415 O GLU A 30 54.127 7.214 4.336 1.00 0.00 O ATOM 416 CB GLU A 30 54.774 7.547 7.226 1.00 0.00 C ATOM 417 CG GLU A 30 56.037 8.034 7.972 1.00 0.00 C ATOM 418 CD GLU A 30 55.683 9.110 9.011 1.00 0.00 C ATOM 419 OE1 GLU A 30 55.311 8.747 10.111 1.00 0.00 O ATOM 420 OE2 GLU A 30 55.796 10.282 8.687 1.00 0.00 O ATOM 0 H GLU A 30 53.729 10.579 7.046 1.00 0.00 H new ATOM 0 HA GLU A 30 55.082 9.222 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 30 53.997 7.285 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 30 55.003 6.644 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 30 56.519 7.191 8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 30 56.754 8.436 7.256 1.00 0.00 H new ATOM 427 N ALA A 31 52.259 8.299 4.816 1.00 0.00 N ATOM 428 CA ALA A 31 51.517 7.699 3.649 1.00 0.00 C ATOM 429 C ALA A 31 51.633 8.604 2.417 1.00 0.00 C ATOM 430 O ALA A 31 51.949 8.160 1.326 1.00 0.00 O ATOM 431 CB ALA A 31 50.041 7.527 4.025 1.00 0.00 C ATOM 0 H ALA A 31 51.708 8.944 5.382 1.00 0.00 H new ATOM 0 HA ALA A 31 51.954 6.729 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 31 49.500 7.093 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 31 49.960 6.867 4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 31 49.612 8.499 4.270 1.00 0.00 H new ATOM 437 N ARG A 32 51.373 9.864 2.611 1.00 0.00 N ATOM 438 CA ARG A 32 51.445 10.874 1.500 1.00 0.00 C ATOM 439 C ARG A 32 52.926 11.127 1.115 1.00 0.00 C ATOM 440 O ARG A 32 53.764 11.224 1.993 1.00 0.00 O ATOM 441 CB ARG A 32 50.807 12.193 1.966 1.00 0.00 C ATOM 442 CG ARG A 32 49.272 12.072 1.934 1.00 0.00 C ATOM 443 CD ARG A 32 48.742 11.645 3.310 1.00 0.00 C ATOM 444 NE ARG A 32 48.912 12.780 4.283 1.00 0.00 N ATOM 445 CZ ARG A 32 47.885 13.333 4.865 1.00 0.00 C ATOM 446 NH1 ARG A 32 46.874 13.744 4.157 1.00 0.00 N ATOM 447 NH2 ARG A 32 47.881 13.472 6.156 1.00 0.00 N ATOM 0 H ARG A 32 51.106 10.255 3.515 1.00 0.00 H new ATOM 0 HA ARG A 32 50.907 10.492 0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 32 51.141 12.432 2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 32 51.130 13.011 1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 32 48.831 13.027 1.647 1.00 0.00 H new ATOM 0 HG3 ARG A 32 48.974 11.344 1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 32 47.690 11.368 3.237 1.00 0.00 H new ATOM 0 HD3 ARG A 32 49.280 10.765 3.663 1.00 0.00 H new ATOM 0 HE ARG A 32 49.850 13.124 4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 32 46.883 13.634 3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 32 46.072 14.176 4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 32 48.677 13.150 6.706 1.00 0.00 H new ATOM 0 HH22 ARG A 32 47.082 13.904 6.620 1.00 0.00 H new ATOM 461 N PRO A 33 53.216 11.226 -0.181 1.00 0.00 N ATOM 462 CA PRO A 33 54.571 11.468 -0.667 1.00 0.00 C ATOM 463 C PRO A 33 54.981 12.950 -0.503 1.00 0.00 C ATOM 464 O PRO A 33 54.290 13.843 -0.961 1.00 0.00 O ATOM 465 CB PRO A 33 54.513 11.054 -2.132 1.00 0.00 C ATOM 466 CG PRO A 33 53.052 11.122 -2.549 1.00 0.00 C ATOM 467 CD PRO A 33 52.239 11.102 -1.264 1.00 0.00 C ATOM 0 HA PRO A 33 55.322 10.910 -0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 33 55.122 11.718 -2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 33 54.907 10.046 -2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 33 52.853 12.028 -3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 33 52.790 10.278 -3.188 1.00 0.00 H new ATOM 0 HD2 PRO A 33 51.521 11.922 -1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 33 51.669 10.177 -1.174 1.00 0.00 H new ATOM 475 N ASN A 34 56.108 13.193 0.154 1.00 0.00 N ATOM 476 CA ASN A 34 56.631 14.590 0.394 1.00 0.00 C ATOM 477 C ASN A 34 55.629 15.423 1.224 1.00 0.00 C ATOM 478 O ASN A 34 54.793 16.135 0.693 1.00 0.00 O ATOM 479 CB ASN A 34 56.950 15.284 -0.944 1.00 0.00 C ATOM 480 CG ASN A 34 57.693 16.599 -0.698 1.00 0.00 C ATOM 481 OD1 ASN A 34 58.347 16.774 0.315 1.00 0.00 O ATOM 482 ND2 ASN A 34 57.631 17.535 -1.586 1.00 0.00 N ATOM 0 H ASN A 34 56.700 12.459 0.543 1.00 0.00 H new ATOM 0 HA ASN A 34 57.554 14.514 0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 34 57.557 14.627 -1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 34 56.027 15.477 -1.490 1.00 0.00 H new ATOM 0 HD21 ASN A 34 58.128 18.413 -1.437 1.00 0.00 H new ATOM 0 HD22 ASN A 34 57.086 17.396 -2.437 1.00 0.00 H new ATOM 489 N TYR A 35 55.719 15.316 2.531 1.00 0.00 N ATOM 490 CA TYR A 35 54.808 16.046 3.438 1.00 0.00 C ATOM 491 C TYR A 35 55.581 17.075 4.280 1.00 0.00 C ATOM 492 O TYR A 35 55.269 18.250 4.292 1.00 0.00 O ATOM 493 CB TYR A 35 54.068 15.028 4.341 1.00 0.00 C ATOM 494 CG TYR A 35 54.903 13.940 4.838 1.00 0.00 C ATOM 495 CD1 TYR A 35 55.179 12.884 4.012 1.00 0.00 C ATOM 496 CD2 TYR A 35 55.355 13.986 6.130 1.00 0.00 C ATOM 497 CE1 TYR A 35 55.932 11.850 4.463 1.00 0.00 C ATOM 498 CE2 TYR A 35 56.112 12.967 6.612 1.00 0.00 C ATOM 499 CZ TYR A 35 56.421 11.868 5.781 1.00 0.00 C ATOM 500 OH TYR A 35 57.192 10.829 6.249 1.00 0.00 O ATOM 0 H TYR A 35 56.409 14.734 3.007 1.00 0.00 H new ATOM 0 HA TYR A 35 54.076 16.597 2.848 1.00 0.00 H new ATOM 0 HB2 TYR A 35 53.642 15.559 5.192 1.00 0.00 H new ATOM 0 HB3 TYR A 35 53.235 14.603 3.781 1.00 0.00 H new ATOM 0 HD1 TYR A 35 54.797 12.874 3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 35 55.111 14.827 6.761 1.00 0.00 H new ATOM 0 HE1 TYR A 35 56.155 11.017 3.813 1.00 0.00 H new ATOM 0 HE2 TYR A 35 56.477 12.997 7.628 1.00 0.00 H new ATOM 0 HH TYR A 35 56.884 10.570 7.143 1.00 0.00 H new ATOM 510 N HIS A 36 56.583 16.614 4.963 1.00 0.00 N ATOM 511 CA HIS A 36 57.449 17.499 5.836 1.00 0.00 C ATOM 512 C HIS A 36 58.661 18.103 5.069 1.00 0.00 C ATOM 513 O HIS A 36 59.546 18.681 5.675 1.00 0.00 O ATOM 514 CB HIS A 36 57.912 16.731 7.108 1.00 0.00 C ATOM 515 CG HIS A 36 58.568 15.412 6.788 1.00 0.00 C ATOM 516 ND1 HIS A 36 58.908 14.500 7.768 1.00 0.00 N ATOM 517 CD2 HIS A 36 58.914 14.836 5.608 1.00 0.00 C ATOM 518 CE1 HIS A 36 59.435 13.426 7.153 1.00 0.00 C ATOM 519 NE2 HIS A 36 59.459 13.582 5.831 1.00 0.00 N ATOM 0 H HIS A 36 56.860 15.632 4.964 1.00 0.00 H new ATOM 0 HA HIS A 36 56.831 18.343 6.144 1.00 0.00 H new ATOM 0 HB2 HIS A 36 58.611 17.353 7.668 1.00 0.00 H new ATOM 0 HB3 HIS A 36 57.052 16.556 7.755 1.00 0.00 H new ATOM 0 HD1 HIS A 36 58.783 14.619 8.773 1.00 0.00 H new ATOM 0 HD2 HIS A 36 58.783 15.290 4.637 1.00 0.00 H new ATOM 0 HE1 HIS A 36 59.794 12.547 7.667 1.00 0.00 H new ATOM 527 N CYS A 37 58.696 17.977 3.745 1.00 0.00 N ATOM 528 CA CYS A 37 59.822 18.544 2.883 1.00 0.00 C ATOM 529 C CYS A 37 61.139 17.747 3.002 1.00 0.00 C ATOM 530 O CYS A 37 62.060 17.966 2.237 1.00 0.00 O ATOM 531 CB CYS A 37 60.067 20.031 3.199 1.00 0.00 C ATOM 532 SG CYS A 37 60.649 20.874 1.703 1.00 0.00 S ATOM 0 H CYS A 37 57.974 17.493 3.211 1.00 0.00 H new ATOM 0 HA CYS A 37 59.487 18.449 1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.148 20.495 3.557 1.00 0.00 H new ATOM 0 HB3 CYS A 37 60.805 20.129 3.996 1.00 0.00 H new ATOM 0 HG CYS A 37 61.408 20.070 1.019 1.00 0.00 H new ATOM 538 N GLN A 38 61.212 16.780 3.885 1.00 0.00 N ATOM 539 CA GLN A 38 62.427 15.915 3.991 1.00 0.00 C ATOM 540 C GLN A 38 62.420 15.012 2.745 1.00 0.00 C ATOM 541 O GLN A 38 63.439 14.805 2.126 1.00 0.00 O ATOM 542 CB GLN A 38 62.358 15.141 5.340 1.00 0.00 C ATOM 543 CG GLN A 38 62.474 13.607 5.173 1.00 0.00 C ATOM 544 CD GLN A 38 63.872 13.138 5.558 1.00 0.00 C ATOM 545 OE1 GLN A 38 64.046 12.456 6.540 1.00 0.00 O ATOM 546 NE2 GLN A 38 64.882 13.472 4.824 1.00 0.00 N ATOM 0 H GLN A 38 60.469 16.551 4.546 1.00 0.00 H new ATOM 0 HA GLN A 38 63.367 16.467 4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 38 63.159 15.490 5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 38 61.417 15.375 5.837 1.00 0.00 H new ATOM 0 HG2 GLN A 38 61.731 13.109 5.796 1.00 0.00 H new ATOM 0 HG3 GLN A 38 62.261 13.329 4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 38 64.741 14.048 3.994 1.00 0.00 H new ATOM 0 HE22 GLN A 38 65.820 13.160 5.075 1.00 0.00 H new ATOM 555 N LEU A 39 61.248 14.549 2.340 1.00 0.00 N ATOM 556 CA LEU A 39 61.126 13.744 1.085 1.00 0.00 C ATOM 557 C LEU A 39 61.499 14.663 -0.099 1.00 0.00 C ATOM 558 O LEU A 39 62.146 14.228 -1.034 1.00 0.00 O ATOM 559 CB LEU A 39 59.675 13.221 0.970 1.00 0.00 C ATOM 560 CG LEU A 39 59.519 11.841 1.646 1.00 0.00 C ATOM 561 CD1 LEU A 39 60.588 10.861 1.151 1.00 0.00 C ATOM 562 CD2 LEU A 39 59.640 11.990 3.166 1.00 0.00 C ATOM 0 H LEU A 39 60.369 14.700 2.835 1.00 0.00 H new ATOM 0 HA LEU A 39 61.793 12.882 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 39 58.992 13.934 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 39 59.395 13.147 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 39 58.536 11.448 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 39 60.454 9.898 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 39 60.493 10.734 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 39 61.578 11.254 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 39 59.529 11.013 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 39 60.617 12.404 3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 39 58.860 12.659 3.529 1.00 0.00 H new ATOM 574 N CYS A 40 61.173 15.952 -0.010 1.00 0.00 N ATOM 575 CA CYS A 40 61.595 16.933 -1.065 1.00 0.00 C ATOM 576 C CYS A 40 63.128 17.075 -0.992 1.00 0.00 C ATOM 577 O CYS A 40 63.769 17.271 -2.011 1.00 0.00 O ATOM 578 CB CYS A 40 60.851 18.285 -0.853 1.00 0.00 C ATOM 579 SG CYS A 40 61.976 19.647 -0.409 1.00 0.00 S ATOM 0 H CYS A 40 60.631 16.355 0.754 1.00 0.00 H new ATOM 0 HA CYS A 40 61.329 16.587 -2.064 1.00 0.00 H new ATOM 0 HB2 CYS A 40 60.314 18.546 -1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 40 60.105 18.165 -0.067 1.00 0.00 H new ATOM 0 HG CYS A 40 61.308 20.579 0.203 1.00 0.00 H new ATOM 585 N PHE A 41 63.730 16.891 0.187 1.00 0.00 N ATOM 586 CA PHE A 41 65.205 16.911 0.285 1.00 0.00 C ATOM 587 C PHE A 41 65.692 15.722 -0.469 1.00 0.00 C ATOM 588 O PHE A 41 66.580 15.867 -1.244 1.00 0.00 O ATOM 589 CB PHE A 41 65.632 16.872 1.803 1.00 0.00 C ATOM 590 CG PHE A 41 66.688 15.842 2.208 1.00 0.00 C ATOM 591 CD1 PHE A 41 66.511 14.462 2.101 1.00 0.00 C ATOM 592 CD2 PHE A 41 67.824 16.308 2.802 1.00 0.00 C ATOM 593 CE1 PHE A 41 67.457 13.588 2.597 1.00 0.00 C ATOM 594 CE2 PHE A 41 68.780 15.450 3.282 1.00 0.00 C ATOM 595 CZ PHE A 41 68.599 14.074 3.199 1.00 0.00 C ATOM 0 H PHE A 41 63.241 16.730 1.068 1.00 0.00 H new ATOM 0 HA PHE A 41 65.639 17.817 -0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 41 66.003 17.860 2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 41 64.738 16.692 2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 41 65.623 14.073 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 41 67.973 17.373 2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 41 67.303 12.522 2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 41 69.680 15.846 3.728 1.00 0.00 H new ATOM 0 HZ PHE A 41 69.340 13.397 3.599 1.00 0.00 H new ATOM 605 N LEU A 42 65.104 14.556 -0.286 1.00 0.00 N ATOM 606 CA LEU A 42 65.620 13.399 -1.031 1.00 0.00 C ATOM 607 C LEU A 42 65.387 13.637 -2.540 1.00 0.00 C ATOM 608 O LEU A 42 66.138 13.131 -3.356 1.00 0.00 O ATOM 609 CB LEU A 42 64.949 12.094 -0.559 1.00 0.00 C ATOM 610 CG LEU A 42 65.685 11.519 0.664 1.00 0.00 C ATOM 611 CD1 LEU A 42 65.013 11.996 1.961 1.00 0.00 C ATOM 612 CD2 LEU A 42 65.651 9.992 0.608 1.00 0.00 C ATOM 0 H LEU A 42 64.313 14.376 0.332 1.00 0.00 H new ATOM 0 HA LEU A 42 66.689 13.291 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.906 12.286 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 42 64.952 11.364 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 42 66.718 11.866 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 42 65.543 11.582 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 42 65.042 13.085 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 42 63.976 11.660 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 42 66.172 9.584 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 42 64.616 9.651 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.141 9.650 -0.304 1.00 0.00 H new ATOM 624 N ARG A 43 64.382 14.454 -2.912 1.00 0.00 N ATOM 625 CA ARG A 43 64.158 14.771 -4.351 1.00 0.00 C ATOM 626 C ARG A 43 65.425 15.450 -4.933 1.00 0.00 C ATOM 627 O ARG A 43 65.764 15.187 -6.076 1.00 0.00 O ATOM 628 CB ARG A 43 62.938 15.701 -4.495 1.00 0.00 C ATOM 629 CG ARG A 43 62.526 15.820 -5.972 1.00 0.00 C ATOM 630 CD ARG A 43 62.935 17.197 -6.514 1.00 0.00 C ATOM 631 NE ARG A 43 63.273 17.088 -7.971 1.00 0.00 N ATOM 632 CZ ARG A 43 64.455 16.698 -8.347 1.00 0.00 C ATOM 633 NH1 ARG A 43 65.440 17.541 -8.355 1.00 0.00 N ATOM 634 NH2 ARG A 43 64.638 15.469 -8.714 1.00 0.00 N ATOM 0 H ARG A 43 63.728 14.897 -2.267 1.00 0.00 H new ATOM 0 HA ARG A 43 63.963 13.851 -4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 43 62.105 15.312 -3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 43 63.176 16.687 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 43 63.001 15.032 -6.557 1.00 0.00 H new ATOM 0 HG3 ARG A 43 61.449 15.685 -6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 43 62.123 17.910 -6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 43 63.793 17.576 -5.959 1.00 0.00 H new ATOM 0 HE ARG A 43 62.570 17.322 -8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 43 65.287 18.507 -8.067 1.00 0.00 H new ATOM 0 HH12 ARG A 43 66.368 17.238 -8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 43 63.857 14.813 -8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 43 65.563 15.157 -9.010 1.00 0.00 H new ATOM 648 N SER A 44 66.147 16.308 -4.180 1.00 0.00 N ATOM 649 CA SER A 44 67.386 16.933 -4.805 1.00 0.00 C ATOM 650 C SER A 44 68.492 17.269 -3.766 1.00 0.00 C ATOM 651 O SER A 44 69.276 18.187 -3.976 1.00 0.00 O ATOM 652 CB SER A 44 66.970 18.209 -5.554 1.00 0.00 C ATOM 653 OG SER A 44 67.718 18.308 -6.764 1.00 0.00 O ATOM 0 H SER A 44 65.940 16.582 -3.220 1.00 0.00 H new ATOM 0 HA SER A 44 67.816 16.200 -5.487 1.00 0.00 H new ATOM 0 HB2 SER A 44 65.903 18.184 -5.773 1.00 0.00 H new ATOM 0 HB3 SER A 44 67.147 19.085 -4.930 1.00 0.00 H new ATOM 0 HG SER A 44 67.455 19.120 -7.246 1.00 0.00 H new ATOM 659 N LEU A 45 68.592 16.529 -2.674 1.00 0.00 N ATOM 660 CA LEU A 45 69.668 16.793 -1.643 1.00 0.00 C ATOM 661 C LEU A 45 70.975 16.118 -2.099 1.00 0.00 C ATOM 662 O LEU A 45 71.469 15.178 -1.521 1.00 0.00 O ATOM 663 CB LEU A 45 69.166 16.415 -0.210 1.00 0.00 C ATOM 664 CG LEU A 45 69.085 14.928 0.178 1.00 0.00 C ATOM 665 CD1 LEU A 45 68.778 13.987 -0.941 1.00 0.00 C ATOM 666 CD2 LEU A 45 70.316 14.479 0.966 1.00 0.00 C ATOM 0 H LEU A 45 67.972 15.750 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 45 69.896 17.856 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 45 69.819 16.909 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 45 68.172 16.844 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 45 68.212 14.871 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 45 68.744 12.967 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.813 14.243 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 45 69.553 14.063 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 45 70.220 13.424 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 45 71.210 14.626 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 45 70.397 15.067 1.880 1.00 0.00 H new ATOM 678 N GLY A 46 71.508 16.593 -3.221 1.00 0.00 N ATOM 679 CA GLY A 46 72.726 15.969 -3.818 1.00 0.00 C ATOM 680 C GLY A 46 72.238 14.644 -4.388 1.00 0.00 C ATOM 681 O GLY A 46 72.167 13.668 -3.674 1.00 0.00 O ATOM 0 H GLY A 46 71.139 17.390 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 46 73.155 16.601 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 46 73.502 15.816 -3.068 1.00 0.00 H new ATOM 685 N ILE A 47 71.830 14.606 -5.641 1.00 0.00 N ATOM 686 CA ILE A 47 71.266 13.311 -6.198 1.00 0.00 C ATOM 687 C ILE A 47 72.288 12.148 -6.173 1.00 0.00 C ATOM 688 O ILE A 47 71.880 11.000 -6.217 1.00 0.00 O ATOM 689 CB ILE A 47 70.533 13.454 -7.556 1.00 0.00 C ATOM 690 CG1 ILE A 47 70.930 14.740 -8.340 1.00 0.00 C ATOM 691 CG2 ILE A 47 69.020 13.448 -7.243 1.00 0.00 C ATOM 692 CD1 ILE A 47 70.080 15.951 -7.908 1.00 0.00 C ATOM 0 H ILE A 47 71.858 15.390 -6.293 1.00 0.00 H new ATOM 0 HA ILE A 47 70.475 13.036 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 47 70.818 12.628 -8.208 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.985 14.957 -8.174 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.804 14.569 -9.409 1.00 0.00 H new ATOM 0 HG21 ILE A 47 68.456 13.547 -8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 47 68.753 12.511 -6.754 1.00 0.00 H new ATOM 0 HG23 ILE A 47 68.782 14.282 -6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 47 70.385 16.830 -8.476 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.027 15.743 -8.098 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.226 16.137 -6.844 1.00 0.00 H new ATOM 704 N ASP A 48 73.573 12.410 -5.939 1.00 0.00 N ATOM 705 CA ASP A 48 74.557 11.285 -5.714 1.00 0.00 C ATOM 706 C ASP A 48 74.171 10.636 -4.359 1.00 0.00 C ATOM 707 O ASP A 48 74.399 9.458 -4.157 1.00 0.00 O ATOM 708 CB ASP A 48 75.992 11.839 -5.660 1.00 0.00 C ATOM 709 CG ASP A 48 76.425 12.308 -7.050 1.00 0.00 C ATOM 710 OD1 ASP A 48 76.054 13.403 -7.426 1.00 0.00 O ATOM 711 OD2 ASP A 48 77.119 11.559 -7.712 1.00 0.00 O ATOM 0 H ASP A 48 73.974 13.347 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 48 74.522 10.555 -6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 48 76.044 12.669 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 48 76.674 11.070 -5.298 1.00 0.00 H new ATOM 716 N TYR A 49 73.484 11.373 -3.463 1.00 0.00 N ATOM 717 CA TYR A 49 72.988 10.755 -2.223 1.00 0.00 C ATOM 718 C TYR A 49 71.774 9.840 -2.618 1.00 0.00 C ATOM 719 O TYR A 49 71.400 8.978 -1.881 1.00 0.00 O ATOM 720 CB TYR A 49 72.559 11.806 -1.146 1.00 0.00 C ATOM 721 CG TYR A 49 71.572 11.153 -0.258 1.00 0.00 C ATOM 722 CD1 TYR A 49 71.973 10.197 0.631 1.00 0.00 C ATOM 723 CD2 TYR A 49 70.253 11.410 -0.453 1.00 0.00 C ATOM 724 CE1 TYR A 49 71.041 9.490 1.337 1.00 0.00 C ATOM 725 CE2 TYR A 49 69.300 10.740 0.236 1.00 0.00 C ATOM 726 CZ TYR A 49 69.674 9.754 1.154 1.00 0.00 C ATOM 727 OH TYR A 49 68.719 9.044 1.846 1.00 0.00 O ATOM 0 H TYR A 49 73.267 12.364 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 49 73.791 10.179 -1.764 1.00 0.00 H new ATOM 0 HB2 TYR A 49 73.423 12.145 -0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 49 72.125 12.686 -1.620 1.00 0.00 H new ATOM 0 HD1 TYR A 49 73.025 10.000 0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 49 69.959 12.162 -1.170 1.00 0.00 H new ATOM 0 HE1 TYR A 49 71.355 8.729 2.035 1.00 0.00 H new ATOM 0 HE2 TYR A 49 68.256 10.966 0.077 1.00 0.00 H new ATOM 0 HH TYR A 49 68.235 8.457 1.228 1.00 0.00 H new ATOM 737 N LEU A 50 71.156 9.977 -3.768 1.00 0.00 N ATOM 738 CA LEU A 50 70.031 9.023 -4.091 1.00 0.00 C ATOM 739 C LEU A 50 70.637 7.754 -4.662 1.00 0.00 C ATOM 740 O LEU A 50 70.150 6.660 -4.417 1.00 0.00 O ATOM 741 CB LEU A 50 68.901 9.715 -4.836 1.00 0.00 C ATOM 742 CG LEU A 50 68.180 10.580 -3.753 1.00 0.00 C ATOM 743 CD1 LEU A 50 67.779 9.715 -2.533 1.00 0.00 C ATOM 744 CD2 LEU A 50 69.172 11.583 -3.195 1.00 0.00 C ATOM 0 H LEU A 50 71.366 10.679 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 50 69.489 8.684 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 50 69.283 10.335 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 50 68.219 8.991 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 50 67.310 11.038 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 50 67.279 10.340 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 50 67.104 8.922 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 50 68.672 9.273 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 50 68.683 12.195 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 50 70.012 11.053 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 50 69.534 12.223 -4.000 1.00 0.00 H new ATOM 756 N ASP A 51 71.843 7.903 -5.172 1.00 0.00 N ATOM 757 CA ASP A 51 72.700 6.764 -5.489 1.00 0.00 C ATOM 758 C ASP A 51 72.996 6.135 -4.060 1.00 0.00 C ATOM 759 O ASP A 51 73.013 4.938 -3.897 1.00 0.00 O ATOM 760 CB ASP A 51 73.903 7.400 -6.183 1.00 0.00 C ATOM 761 CG ASP A 51 74.355 6.534 -7.351 1.00 0.00 C ATOM 762 OD1 ASP A 51 75.140 5.634 -7.126 1.00 0.00 O ATOM 763 OD2 ASP A 51 73.924 6.800 -8.456 1.00 0.00 O ATOM 0 H ASP A 51 72.261 8.810 -5.380 1.00 0.00 H new ATOM 0 HA ASP A 51 72.320 5.977 -6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 51 73.642 8.396 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 51 74.721 7.520 -5.472 1.00 0.00 H new ATOM 768 N ALA A 52 73.079 7.005 -3.008 1.00 0.00 N ATOM 769 CA ALA A 52 73.191 6.584 -1.546 1.00 0.00 C ATOM 770 C ALA A 52 71.878 5.907 -1.156 1.00 0.00 C ATOM 771 O ALA A 52 71.917 4.818 -0.615 1.00 0.00 O ATOM 772 CB ALA A 52 73.334 7.824 -0.601 1.00 0.00 C ATOM 0 H ALA A 52 73.071 8.017 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 52 74.062 5.937 -1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 52 73.411 7.487 0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 52 74.230 8.384 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 52 72.460 8.466 -0.709 1.00 0.00 H new ATOM 778 N SER A 53 70.702 6.534 -1.406 1.00 0.00 N ATOM 779 CA SER A 53 69.403 5.850 -1.032 1.00 0.00 C ATOM 780 C SER A 53 69.401 4.392 -1.566 1.00 0.00 C ATOM 781 O SER A 53 68.857 3.506 -0.929 1.00 0.00 O ATOM 782 CB SER A 53 68.211 6.616 -1.606 1.00 0.00 C ATOM 783 OG SER A 53 67.648 7.422 -0.572 1.00 0.00 O ATOM 0 H SER A 53 70.607 7.454 -1.837 1.00 0.00 H new ATOM 0 HA SER A 53 69.317 5.835 0.054 1.00 0.00 H new ATOM 0 HB2 SER A 53 68.529 7.240 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A 53 67.465 5.921 -1.993 1.00 0.00 H new ATOM 0 HG SER A 53 66.687 7.532 -0.729 1.00 0.00 H new ATOM 789 N LEU A 54 70.052 4.138 -2.704 1.00 0.00 N ATOM 790 CA LEU A 54 70.135 2.746 -3.257 1.00 0.00 C ATOM 791 C LEU A 54 71.625 2.286 -3.409 1.00 0.00 C ATOM 792 O LEU A 54 71.957 1.614 -4.373 1.00 0.00 O ATOM 793 CB LEU A 54 69.409 2.710 -4.618 1.00 0.00 C ATOM 794 CG LEU A 54 68.945 1.277 -4.933 1.00 0.00 C ATOM 795 CD1 LEU A 54 67.691 0.943 -4.122 1.00 0.00 C ATOM 796 CD2 LEU A 54 68.619 1.161 -6.422 1.00 0.00 C ATOM 0 H LEU A 54 70.526 4.847 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 54 69.654 2.054 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 54 68.551 3.382 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 54 70.075 3.066 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 54 69.743 0.582 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 54 67.369 -0.073 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 54 67.914 1.022 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 54 66.895 1.642 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 54 68.290 0.146 -6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 54 67.825 1.863 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 54 69.509 1.391 -7.008 1.00 0.00 H new ATOM 808 N ARG A 55 72.528 2.659 -2.476 1.00 0.00 N ATOM 809 CA ARG A 55 74.006 2.256 -2.557 1.00 0.00 C ATOM 810 C ARG A 55 74.241 0.791 -3.030 1.00 0.00 C ATOM 811 O ARG A 55 75.257 0.523 -3.647 1.00 0.00 O ATOM 812 CB ARG A 55 74.733 2.488 -1.206 1.00 0.00 C ATOM 813 CG ARG A 55 74.241 1.519 -0.119 1.00 0.00 C ATOM 814 CD ARG A 55 72.919 2.037 0.427 1.00 0.00 C ATOM 815 NE ARG A 55 72.955 2.102 1.921 1.00 0.00 N ATOM 816 CZ ARG A 55 71.859 2.293 2.596 1.00 0.00 C ATOM 817 NH1 ARG A 55 71.149 3.365 2.391 1.00 0.00 N ATOM 818 NH2 ARG A 55 71.485 1.415 3.475 1.00 0.00 N ATOM 0 H ARG A 55 72.296 3.228 -1.662 1.00 0.00 H new ATOM 0 HA ARG A 55 74.430 2.908 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 55 75.807 2.363 -1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 55 74.571 3.515 -0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 55 74.114 0.519 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.977 1.442 0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 55 72.714 3.027 0.019 1.00 0.00 H new ATOM 0 HD3 ARG A 55 72.106 1.386 0.106 1.00 0.00 H new ATOM 0 HE ARG A 55 73.842 1.996 2.413 1.00 0.00 H new ATOM 0 HH11 ARG A 55 71.452 4.053 1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 55 70.290 3.516 2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 55 72.049 0.580 3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 55 70.627 1.560 4.007 1.00 0.00 H new ATOM 832 N LYS A 56 73.315 -0.140 -2.783 1.00 0.00 N ATOM 833 CA LYS A 56 73.488 -1.564 -3.276 1.00 0.00 C ATOM 834 C LYS A 56 73.720 -1.550 -4.814 1.00 0.00 C ATOM 835 O LYS A 56 74.510 -2.322 -5.328 1.00 0.00 O ATOM 836 CB LYS A 56 72.225 -2.384 -2.945 1.00 0.00 C ATOM 837 CG LYS A 56 72.543 -3.890 -2.981 1.00 0.00 C ATOM 838 CD LYS A 56 72.850 -4.396 -1.560 1.00 0.00 C ATOM 839 CE LYS A 56 72.367 -5.845 -1.403 1.00 0.00 C ATOM 840 NZ LYS A 56 72.422 -6.240 0.041 1.00 0.00 N ATOM 0 H LYS A 56 72.454 0.030 -2.264 1.00 0.00 H new ATOM 0 HA LYS A 56 74.347 -2.020 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 56 71.851 -2.107 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 56 71.436 -2.155 -3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 56 71.698 -4.439 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 56 73.396 -4.075 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 56 73.921 -4.338 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 56 72.360 -3.759 -0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 56 71.348 -5.942 -1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 56 72.991 -6.513 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 72.095 -7.222 0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 73.400 -6.163 0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 71.809 -5.610 0.597 1.00 0.00 H new ATOM 854 N LYS A 57 73.061 -0.642 -5.530 1.00 0.00 N ATOM 855 CA LYS A 57 73.260 -0.518 -7.016 1.00 0.00 C ATOM 856 C LYS A 57 74.597 0.208 -7.305 1.00 0.00 C ATOM 857 O LYS A 57 75.235 -0.088 -8.302 1.00 0.00 O ATOM 858 CB LYS A 57 72.102 0.283 -7.645 1.00 0.00 C ATOM 859 CG LYS A 57 71.096 -0.654 -8.352 1.00 0.00 C ATOM 860 CD LYS A 57 71.783 -1.541 -9.418 1.00 0.00 C ATOM 861 CE LYS A 57 72.505 -0.690 -10.479 1.00 0.00 C ATOM 862 NZ LYS A 57 73.900 -1.194 -10.647 1.00 0.00 N ATOM 0 H LYS A 57 72.391 0.019 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 57 73.282 -1.518 -7.450 1.00 0.00 H new ATOM 0 HB2 LYS A 57 71.589 0.855 -6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 57 72.500 1.001 -8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 57 70.609 -1.288 -7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 57 70.315 -0.058 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 57 72.499 -2.205 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 57 71.038 -2.173 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 57 71.971 -0.740 -11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 57 72.518 0.357 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 74.478 -0.466 -11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 74.305 -1.413 -9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 73.890 -2.055 -11.231 1.00 0.00 H new ATOM 876 N ASN A 58 75.012 1.149 -6.445 1.00 0.00 N ATOM 877 CA ASN A 58 76.300 1.895 -6.631 1.00 0.00 C ATOM 878 C ASN A 58 77.476 0.901 -6.656 1.00 0.00 C ATOM 879 O ASN A 58 77.891 0.530 -7.737 1.00 0.00 O ATOM 880 CB ASN A 58 76.427 2.941 -5.487 1.00 0.00 C ATOM 881 CG ASN A 58 77.653 3.842 -5.645 1.00 0.00 C ATOM 882 OD1 ASN A 58 78.751 3.386 -5.881 1.00 0.00 O ATOM 883 ND2 ASN A 58 77.520 5.115 -5.497 1.00 0.00 N ATOM 0 H ASN A 58 74.489 1.423 -5.613 1.00 0.00 H new ATOM 0 HA ASN A 58 76.315 2.426 -7.583 1.00 0.00 H new ATOM 0 HB2 ASN A 58 75.529 3.558 -5.463 1.00 0.00 H new ATOM 0 HB3 ASN A 58 76.483 2.422 -4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 58 78.333 5.726 -5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 58 76.602 5.512 -5.298 1.00 0.00 H new ATOM 890 N LYS A 59 78.017 0.479 -5.501 1.00 0.00 N ATOM 891 CA LYS A 59 79.196 -0.481 -5.479 1.00 0.00 C ATOM 892 C LYS A 59 80.210 -0.051 -6.576 1.00 0.00 C ATOM 893 O LYS A 59 80.517 -0.801 -7.482 1.00 0.00 O ATOM 894 CB LYS A 59 78.682 -1.918 -5.708 1.00 0.00 C ATOM 895 CG LYS A 59 78.468 -2.609 -4.355 1.00 0.00 C ATOM 896 CD LYS A 59 78.276 -4.121 -4.567 1.00 0.00 C ATOM 897 CE LYS A 59 79.292 -4.908 -3.726 1.00 0.00 C ATOM 898 NZ LYS A 59 80.602 -4.999 -4.441 1.00 0.00 N ATOM 0 H LYS A 59 77.686 0.763 -4.579 1.00 0.00 H new ATOM 0 HA LYS A 59 79.703 -0.455 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.747 -1.896 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 59 79.399 -2.481 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 59 79.324 -2.429 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.595 -2.189 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.262 -4.409 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.399 -4.366 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.430 -4.420 -2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 59 78.910 -5.909 -3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.379 -4.895 -3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 80.677 -5.923 -4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.663 -4.242 -5.151 1.00 0.00 H new ATOM 912 N GLN A 60 80.628 1.213 -6.507 1.00 0.00 N ATOM 913 CA GLN A 60 81.534 1.870 -7.526 1.00 0.00 C ATOM 914 C GLN A 60 80.685 2.252 -8.786 1.00 0.00 C ATOM 915 O GLN A 60 81.086 2.049 -9.920 1.00 0.00 O ATOM 916 CB GLN A 60 82.819 1.010 -7.820 1.00 0.00 C ATOM 917 CG GLN A 60 82.645 -0.025 -8.964 1.00 0.00 C ATOM 918 CD GLN A 60 83.672 0.209 -10.081 1.00 0.00 C ATOM 919 OE1 GLN A 60 84.395 -0.693 -10.449 1.00 0.00 O ATOM 920 NE2 GLN A 60 83.754 1.370 -10.665 1.00 0.00 N ATOM 0 H GLN A 60 80.361 1.838 -5.747 1.00 0.00 H new ATOM 0 HA GLN A 60 81.942 2.798 -7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 60 83.641 1.680 -8.073 1.00 0.00 H new ATOM 0 HB3 GLN A 60 83.106 0.484 -6.910 1.00 0.00 H new ATOM 0 HG2 GLN A 60 82.759 -1.034 -8.567 1.00 0.00 H new ATOM 0 HG3 GLN A 60 81.637 0.045 -9.372 1.00 0.00 H new ATOM 0 HE21 GLN A 60 83.151 2.136 -10.364 1.00 0.00 H new ATOM 0 HE22 GLN A 60 84.421 1.513 -11.423 1.00 0.00 H new ATOM 929 N ARG A 61 79.479 2.809 -8.558 1.00 0.00 N ATOM 930 CA ARG A 61 78.523 3.220 -9.660 1.00 0.00 C ATOM 931 C ARG A 61 79.197 3.874 -10.898 1.00 0.00 C ATOM 932 O ARG A 61 78.660 3.758 -11.983 1.00 0.00 O ATOM 933 CB ARG A 61 77.442 4.158 -9.074 1.00 0.00 C ATOM 934 CG ARG A 61 78.013 5.536 -8.721 1.00 0.00 C ATOM 935 CD ARG A 61 77.759 6.533 -9.859 1.00 0.00 C ATOM 936 NE ARG A 61 76.559 7.361 -9.519 1.00 0.00 N ATOM 937 CZ ARG A 61 76.693 8.536 -8.987 1.00 0.00 C ATOM 938 NH1 ARG A 61 76.780 9.582 -9.746 1.00 0.00 N ATOM 939 NH2 ARG A 61 76.720 8.661 -7.698 1.00 0.00 N ATOM 0 H ARG A 61 79.122 2.994 -7.621 1.00 0.00 H new ATOM 0 HA ARG A 61 78.078 2.299 -10.037 1.00 0.00 H new ATOM 0 HB2 ARG A 61 76.632 4.274 -9.795 1.00 0.00 H new ATOM 0 HB3 ARG A 61 77.012 3.704 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 61 77.555 5.901 -7.802 1.00 0.00 H new ATOM 0 HG3 ARG A 61 79.084 5.455 -8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 61 78.630 7.172 -10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 61 77.597 6.002 -10.797 1.00 0.00 H new ATOM 0 HE ARG A 61 75.625 6.997 -9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 61 76.743 9.481 -10.760 1.00 0.00 H new ATOM 0 HH12 ARG A 61 76.885 10.507 -9.329 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.636 7.836 -7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 61 76.825 9.584 -7.277 1.00 0.00 H new ATOM 953 N LEU A 62 80.360 4.507 -10.779 1.00 0.00 N ATOM 954 CA LEU A 62 81.047 5.068 -12.000 1.00 0.00 C ATOM 955 C LEU A 62 81.607 3.843 -12.773 1.00 0.00 C ATOM 956 O LEU A 62 82.754 3.468 -12.607 1.00 0.00 O ATOM 957 CB LEU A 62 82.175 6.030 -11.577 1.00 0.00 C ATOM 958 CG LEU A 62 81.593 7.426 -11.316 1.00 0.00 C ATOM 959 CD1 LEU A 62 82.344 8.088 -10.161 1.00 0.00 C ATOM 960 CD2 LEU A 62 81.743 8.287 -12.573 1.00 0.00 C ATOM 0 H LEU A 62 80.853 4.655 -9.899 1.00 0.00 H new ATOM 0 HA LEU A 62 80.365 5.642 -12.627 1.00 0.00 H new ATOM 0 HB2 LEU A 62 82.667 5.657 -10.679 1.00 0.00 H new ATOM 0 HB3 LEU A 62 82.934 6.082 -12.358 1.00 0.00 H new ATOM 0 HG LEU A 62 80.538 7.332 -11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 62 81.929 9.079 -9.978 1.00 0.00 H new ATOM 0 HD12 LEU A 62 82.240 7.479 -9.263 1.00 0.00 H new ATOM 0 HD13 LEU A 62 83.399 8.179 -10.418 1.00 0.00 H new ATOM 0 HD21 LEU A 62 81.329 9.278 -12.387 1.00 0.00 H new ATOM 0 HD22 LEU A 62 82.799 8.377 -12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 62 81.208 7.820 -13.400 1.00 0.00 H new ATOM 972 N LYS A 63 80.716 3.192 -13.533 1.00 0.00 N ATOM 973 CA LYS A 63 80.967 1.906 -14.313 1.00 0.00 C ATOM 974 C LYS A 63 80.016 0.805 -13.745 1.00 0.00 C ATOM 975 O LYS A 63 79.603 -0.089 -14.465 1.00 0.00 O ATOM 976 CB LYS A 63 82.432 1.413 -14.234 1.00 0.00 C ATOM 977 CG LYS A 63 82.632 0.178 -15.133 1.00 0.00 C ATOM 978 CD LYS A 63 84.087 -0.331 -15.043 1.00 0.00 C ATOM 979 CE LYS A 63 84.482 -0.652 -13.586 1.00 0.00 C ATOM 980 NZ LYS A 63 83.605 -1.733 -13.028 1.00 0.00 N ATOM 0 H LYS A 63 79.761 3.532 -13.646 1.00 0.00 H new ATOM 0 HA LYS A 63 80.770 2.111 -15.365 1.00 0.00 H new ATOM 0 HB2 LYS A 63 83.108 2.210 -14.544 1.00 0.00 H new ATOM 0 HB3 LYS A 63 82.684 1.165 -13.203 1.00 0.00 H new ATOM 0 HG2 LYS A 63 81.945 -0.613 -14.831 1.00 0.00 H new ATOM 0 HG3 LYS A 63 82.393 0.431 -16.166 1.00 0.00 H new ATOM 0 HD2 LYS A 63 84.200 -1.224 -15.658 1.00 0.00 H new ATOM 0 HD3 LYS A 63 84.763 0.422 -15.447 1.00 0.00 H new ATOM 0 HE2 LYS A 63 85.525 -0.966 -13.547 1.00 0.00 H new ATOM 0 HE3 LYS A 63 84.396 0.246 -12.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 83.805 -1.853 -12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 82.607 -1.471 -13.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 83.795 -2.626 -13.527 1.00 0.00 H new ATOM 994 N ALA A 64 79.667 0.871 -12.458 1.00 0.00 N ATOM 995 CA ALA A 64 78.746 -0.146 -11.832 1.00 0.00 C ATOM 996 C ALA A 64 77.270 0.334 -11.825 1.00 0.00 C ATOM 997 O ALA A 64 76.382 -0.464 -11.581 1.00 0.00 O ATOM 998 CB ALA A 64 79.178 -0.368 -10.384 1.00 0.00 C ATOM 0 H ALA A 64 79.990 1.597 -11.818 1.00 0.00 H new ATOM 0 HA ALA A 64 78.809 -1.062 -12.419 1.00 0.00 H new ATOM 0 HB1 ALA A 64 78.521 -1.102 -9.917 1.00 0.00 H new ATOM 0 HB2 ALA A 64 80.204 -0.734 -10.363 1.00 0.00 H new ATOM 0 HB3 ALA A 64 79.117 0.573 -9.838 1.00 0.00 H new ATOM 1004 N ILE A 65 76.987 1.607 -12.092 1.00 0.00 N ATOM 1005 CA ILE A 65 75.555 2.095 -12.104 1.00 0.00 C ATOM 1006 C ILE A 65 74.768 1.331 -13.196 1.00 0.00 C ATOM 1007 O ILE A 65 73.637 0.930 -12.978 1.00 0.00 O ATOM 1008 CB ILE A 65 75.509 3.631 -12.310 1.00 0.00 C ATOM 1009 CG1 ILE A 65 74.100 4.156 -12.001 1.00 0.00 C ATOM 1010 CG2 ILE A 65 75.886 4.013 -13.741 1.00 0.00 C ATOM 1011 CD1 ILE A 65 73.917 4.278 -10.486 1.00 0.00 C ATOM 0 H ILE A 65 77.685 2.321 -12.300 1.00 0.00 H new ATOM 0 HA ILE A 65 75.082 1.893 -11.143 1.00 0.00 H new ATOM 0 HB ILE A 65 76.233 4.081 -11.631 1.00 0.00 H new ATOM 0 HG12 ILE A 65 73.951 5.126 -12.475 1.00 0.00 H new ATOM 0 HG13 ILE A 65 73.351 3.481 -12.415 1.00 0.00 H new ATOM 0 HG21 ILE A 65 75.844 5.097 -13.851 1.00 0.00 H new ATOM 0 HG22 ILE A 65 76.896 3.665 -13.956 1.00 0.00 H new ATOM 0 HG23 ILE A 65 75.187 3.550 -14.437 1.00 0.00 H new ATOM 0 HD11 ILE A 65 72.916 4.651 -10.269 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.048 3.300 -10.024 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.657 4.971 -10.085 1.00 0.00 H new ATOM 1023 N GLN A 66 75.400 1.070 -14.330 1.00 0.00 N ATOM 1024 CA GLN A 66 74.761 0.269 -15.432 1.00 0.00 C ATOM 1025 C GLN A 66 74.876 -1.246 -15.102 1.00 0.00 C ATOM 1026 O GLN A 66 74.135 -2.051 -15.635 1.00 0.00 O ATOM 1027 CB GLN A 66 75.484 0.545 -16.769 1.00 0.00 C ATOM 1028 CG GLN A 66 75.558 2.062 -17.053 1.00 0.00 C ATOM 1029 CD GLN A 66 76.938 2.627 -16.683 1.00 0.00 C ATOM 1030 OE1 GLN A 66 77.614 2.132 -15.801 1.00 0.00 O ATOM 1031 NE2 GLN A 66 77.380 3.668 -17.307 1.00 0.00 N ATOM 0 H GLN A 66 76.348 1.386 -14.537 1.00 0.00 H new ATOM 0 HA GLN A 66 73.713 0.555 -15.518 1.00 0.00 H new ATOM 0 HB2 GLN A 66 76.490 0.128 -16.736 1.00 0.00 H new ATOM 0 HB3 GLN A 66 74.958 0.044 -17.582 1.00 0.00 H new ATOM 0 HG2 GLN A 66 75.356 2.248 -18.108 1.00 0.00 H new ATOM 0 HG3 GLN A 66 74.785 2.580 -16.485 1.00 0.00 H new ATOM 0 HE21 GLN A 66 76.823 4.093 -18.049 1.00 0.00 H new ATOM 0 HE22 GLN A 66 78.286 4.065 -17.058 1.00 0.00 H new ATOM 1040 N GLN A 67 75.819 -1.629 -14.236 1.00 0.00 N ATOM 1041 CA GLN A 67 76.026 -3.070 -13.856 1.00 0.00 C ATOM 1042 C GLN A 67 74.821 -3.672 -13.116 1.00 0.00 C ATOM 1043 O GLN A 67 73.831 -3.015 -12.824 1.00 0.00 O ATOM 1044 CB GLN A 67 77.229 -3.173 -12.899 1.00 0.00 C ATOM 1045 CG GLN A 67 78.436 -3.766 -13.611 1.00 0.00 C ATOM 1046 CD GLN A 67 78.140 -5.174 -14.160 1.00 0.00 C ATOM 1047 OE1 GLN A 67 77.498 -5.978 -13.511 1.00 0.00 O ATOM 1048 NE2 GLN A 67 78.578 -5.510 -15.335 1.00 0.00 N ATOM 0 H GLN A 67 76.459 -0.981 -13.776 1.00 0.00 H new ATOM 0 HA GLN A 67 76.180 -3.616 -14.786 1.00 0.00 H new ATOM 0 HB2 GLN A 67 77.478 -2.185 -12.513 1.00 0.00 H new ATOM 0 HB3 GLN A 67 76.966 -3.793 -12.042 1.00 0.00 H new ATOM 0 HG2 GLN A 67 78.733 -3.111 -14.430 1.00 0.00 H new ATOM 0 HG3 GLN A 67 79.278 -3.814 -12.921 1.00 0.00 H new ATOM 0 HE21 GLN A 67 79.117 -4.844 -15.888 1.00 0.00 H new ATOM 0 HE22 GLN A 67 78.383 -6.440 -15.705 1.00 0.00 H new ATOM 1057 N GLY A 68 74.959 -4.933 -12.762 1.00 0.00 N ATOM 1058 CA GLY A 68 73.893 -5.651 -11.986 1.00 0.00 C ATOM 1059 C GLY A 68 74.005 -5.245 -10.510 1.00 0.00 C ATOM 1060 O GLY A 68 73.239 -4.423 -10.035 1.00 0.00 O ATOM 0 H GLY A 68 75.777 -5.501 -12.982 1.00 0.00 H new ATOM 0 HA2 GLY A 68 72.907 -5.397 -12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 68 74.010 -6.730 -12.092 1.00 0.00 H new ATOM 1064 N ARG A 69 74.965 -5.807 -9.792 1.00 0.00 N ATOM 1065 CA ARG A 69 75.156 -5.451 -8.333 1.00 0.00 C ATOM 1066 C ARG A 69 76.601 -5.765 -7.838 1.00 0.00 C ATOM 1067 O ARG A 69 76.820 -5.933 -6.649 1.00 0.00 O ATOM 1068 CB ARG A 69 74.124 -6.236 -7.497 1.00 0.00 C ATOM 1069 CG ARG A 69 73.610 -5.369 -6.333 1.00 0.00 C ATOM 1070 CD ARG A 69 72.552 -4.376 -6.833 1.00 0.00 C ATOM 1071 NE ARG A 69 71.213 -5.047 -6.879 1.00 0.00 N ATOM 1072 CZ ARG A 69 70.727 -5.477 -8.004 1.00 0.00 C ATOM 1073 NH1 ARG A 69 70.148 -4.647 -8.816 1.00 0.00 N ATOM 1074 NH2 ARG A 69 70.823 -6.735 -8.308 1.00 0.00 N ATOM 0 H ARG A 69 75.624 -6.497 -10.153 1.00 0.00 H new ATOM 0 HA ARG A 69 75.007 -4.378 -8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 69 73.290 -6.540 -8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 69 74.578 -7.147 -7.108 1.00 0.00 H new ATOM 0 HG2 ARG A 69 73.183 -6.005 -5.558 1.00 0.00 H new ATOM 0 HG3 ARG A 69 74.441 -4.828 -5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 69 72.513 -3.509 -6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 69 72.821 -4.011 -7.824 1.00 0.00 H new ATOM 0 HE ARG A 69 70.678 -5.167 -6.019 1.00 0.00 H new ATOM 0 HH11 ARG A 69 70.076 -3.660 -8.570 1.00 0.00 H new ATOM 0 HH12 ARG A 69 69.765 -4.982 -9.700 1.00 0.00 H new ATOM 0 HH21 ARG A 69 71.279 -7.382 -7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 69 70.443 -7.077 -9.191 1.00 0.00 H new ATOM 1088 N GLN A 70 77.589 -5.821 -8.737 1.00 0.00 N ATOM 1089 CA GLN A 70 78.993 -6.092 -8.385 1.00 0.00 C ATOM 1090 C GLN A 70 79.174 -7.308 -7.427 1.00 0.00 C ATOM 1091 O GLN A 70 79.867 -7.196 -6.429 1.00 0.00 O ATOM 1092 CB GLN A 70 79.569 -4.806 -7.819 1.00 0.00 C ATOM 1093 CG GLN A 70 80.879 -4.572 -8.536 1.00 0.00 C ATOM 1094 CD GLN A 70 81.846 -3.718 -7.704 1.00 0.00 C ATOM 1095 OE1 GLN A 70 81.610 -3.432 -6.545 1.00 0.00 O ATOM 1096 NE2 GLN A 70 82.943 -3.302 -8.251 1.00 0.00 N ATOM 0 H GLN A 70 77.440 -5.679 -9.736 1.00 0.00 H new ATOM 0 HA GLN A 70 79.540 -6.391 -9.279 1.00 0.00 H new ATOM 0 HB2 GLN A 70 78.885 -3.972 -7.977 1.00 0.00 H new ATOM 0 HB3 GLN A 70 79.725 -4.891 -6.744 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.345 -5.531 -8.762 1.00 0.00 H new ATOM 0 HG3 GLN A 70 80.688 -4.078 -9.489 1.00 0.00 H new ATOM 0 HE21 GLN A 70 83.150 -3.537 -9.222 1.00 0.00 H new ATOM 0 HE22 GLN A 70 83.601 -2.740 -7.711 1.00 0.00 H new ATOM 1105 N PRO A 71 78.545 -8.446 -7.756 1.00 0.00 N ATOM 1106 CA PRO A 71 78.634 -9.666 -6.953 1.00 0.00 C ATOM 1107 C PRO A 71 79.992 -10.357 -6.815 1.00 0.00 C ATOM 1108 O PRO A 71 80.254 -11.373 -7.439 1.00 0.00 O ATOM 1109 CB PRO A 71 77.632 -10.573 -7.553 1.00 0.00 C ATOM 1110 CG PRO A 71 77.371 -10.103 -8.945 1.00 0.00 C ATOM 1111 CD PRO A 71 77.653 -8.629 -8.921 1.00 0.00 C ATOM 0 HA PRO A 71 78.455 -9.388 -5.914 1.00 0.00 H new ATOM 0 HB2 PRO A 71 78.000 -11.599 -7.558 1.00 0.00 H new ATOM 0 HB3 PRO A 71 76.712 -10.567 -6.968 1.00 0.00 H new ATOM 0 HG2 PRO A 71 78.014 -10.615 -9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 71 76.341 -10.302 -9.242 1.00 0.00 H new ATOM 0 HD2 PRO A 71 78.131 -8.301 -9.844 1.00 0.00 H new ATOM 0 HD3 PRO A 71 76.736 -8.050 -8.814 1.00 0.00 H new ATOM 1119 N GLN A 72 80.792 -9.844 -5.922 1.00 0.00 N ATOM 1120 CA GLN A 72 82.157 -10.383 -5.528 1.00 0.00 C ATOM 1121 C GLN A 72 83.169 -10.480 -6.682 1.00 0.00 C ATOM 1122 O GLN A 72 84.308 -10.072 -6.549 1.00 0.00 O ATOM 1123 CB GLN A 72 81.945 -11.718 -4.846 1.00 0.00 C ATOM 1124 CG GLN A 72 81.427 -11.465 -3.421 1.00 0.00 C ATOM 1125 CD GLN A 72 81.859 -12.580 -2.467 1.00 0.00 C ATOM 1126 OE1 GLN A 72 82.062 -13.709 -2.860 1.00 0.00 O ATOM 1127 NE2 GLN A 72 81.991 -12.314 -1.208 1.00 0.00 N ATOM 0 H GLN A 72 80.543 -9.003 -5.401 1.00 0.00 H new ATOM 0 HA GLN A 72 82.619 -9.666 -4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 72 81.230 -12.320 -5.407 1.00 0.00 H new ATOM 0 HB3 GLN A 72 82.879 -12.279 -4.815 1.00 0.00 H new ATOM 0 HG2 GLN A 72 81.803 -10.508 -3.059 1.00 0.00 H new ATOM 0 HG3 GLN A 72 80.339 -11.396 -3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 72 81.823 -11.368 -0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 72 82.263 -13.050 -0.557 1.00 0.00 H new ATOM 1136 N TYR A 73 82.734 -10.982 -7.793 1.00 0.00 N ATOM 1137 CA TYR A 73 83.541 -11.119 -9.041 1.00 0.00 C ATOM 1138 C TYR A 73 84.291 -9.814 -9.380 1.00 0.00 C ATOM 1139 O TYR A 73 85.377 -9.823 -9.931 1.00 0.00 O ATOM 1140 CB TYR A 73 82.542 -11.507 -10.155 1.00 0.00 C ATOM 1141 CG TYR A 73 81.768 -10.316 -10.733 1.00 0.00 C ATOM 1142 CD1 TYR A 73 80.955 -9.511 -9.926 1.00 0.00 C ATOM 1143 CD2 TYR A 73 81.870 -10.020 -12.093 1.00 0.00 C ATOM 1144 CE1 TYR A 73 80.285 -8.439 -10.473 1.00 0.00 C ATOM 1145 CE2 TYR A 73 81.177 -8.939 -12.633 1.00 0.00 C ATOM 1146 CZ TYR A 73 80.386 -8.149 -11.819 1.00 0.00 C ATOM 1147 OH TYR A 73 79.715 -7.068 -12.335 1.00 0.00 O ATOM 0 H TYR A 73 81.781 -11.330 -7.897 1.00 0.00 H new ATOM 0 HA TYR A 73 84.315 -11.878 -8.926 1.00 0.00 H new ATOM 0 HB2 TYR A 73 83.084 -12.002 -10.961 1.00 0.00 H new ATOM 0 HB3 TYR A 73 81.832 -12.232 -9.757 1.00 0.00 H new ATOM 0 HD1 TYR A 73 80.853 -9.731 -8.874 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.490 -10.633 -12.731 1.00 0.00 H new ATOM 0 HE1 TYR A 73 79.671 -7.816 -9.839 1.00 0.00 H new ATOM 0 HE2 TYR A 73 81.257 -8.718 -13.687 1.00 0.00 H new ATOM 0 HH TYR A 73 78.845 -7.358 -12.680 1.00 0.00 H new ATOM 1157 N LEU A 74 83.683 -8.722 -9.030 1.00 0.00 N ATOM 1158 CA LEU A 74 84.259 -7.366 -9.264 1.00 0.00 C ATOM 1159 C LEU A 74 84.763 -6.780 -7.926 1.00 0.00 C ATOM 1160 O LEU A 74 85.892 -6.330 -7.834 1.00 0.00 O ATOM 1161 CB LEU A 74 83.149 -6.469 -9.837 1.00 0.00 C ATOM 1162 CG LEU A 74 83.549 -5.857 -11.197 1.00 0.00 C ATOM 1163 CD1 LEU A 74 84.757 -4.927 -11.028 1.00 0.00 C ATOM 1164 CD2 LEU A 74 83.889 -6.967 -12.204 1.00 0.00 C ATOM 0 H LEU A 74 82.772 -8.710 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 74 85.096 -7.423 -9.960 1.00 0.00 H new ATOM 0 HB2 LEU A 74 82.236 -7.052 -9.956 1.00 0.00 H new ATOM 0 HB3 LEU A 74 82.927 -5.669 -9.130 1.00 0.00 H new ATOM 0 HG LEU A 74 82.705 -5.280 -11.575 1.00 0.00 H new ATOM 0 HD11 LEU A 74 85.028 -4.503 -11.995 1.00 0.00 H new ATOM 0 HD12 LEU A 74 84.503 -4.123 -10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 74 85.600 -5.493 -10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 74 84.169 -6.520 -13.158 1.00 0.00 H new ATOM 0 HD22 LEU A 74 84.720 -7.561 -11.824 1.00 0.00 H new ATOM 0 HD23 LEU A 74 83.019 -7.609 -12.346 1.00 0.00 H new ATOM 1176 N LEU A 75 83.918 -6.783 -6.905 1.00 0.00 N ATOM 1177 CA LEU A 75 84.294 -6.234 -5.549 1.00 0.00 C ATOM 1178 C LEU A 75 83.199 -6.585 -4.495 1.00 0.00 C ATOM 1179 O LEU A 75 82.282 -7.333 -4.814 1.00 0.00 O ATOM 1180 CB LEU A 75 84.454 -4.701 -5.661 1.00 0.00 C ATOM 1181 CG LEU A 75 85.852 -4.278 -5.193 1.00 0.00 C ATOM 1182 CD1 LEU A 75 86.417 -3.231 -6.153 1.00 0.00 C ATOM 1183 CD2 LEU A 75 85.763 -3.677 -3.788 1.00 0.00 C ATOM 1184 OXT LEU A 75 83.279 -6.087 -3.380 1.00 0.00 O ATOM 0 H LEU A 75 82.968 -7.150 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 75 85.233 -6.681 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 75 84.297 -4.386 -6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 75 83.695 -4.204 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 75 86.505 -5.151 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 75 87.410 -2.931 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 75 86.483 -3.654 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 75 85.761 -2.361 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.757 -3.377 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 75 85.108 -2.806 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 75 85.360 -4.420 -3.099 1.00 0.00 H new TER 1196 LEU A 75