USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 550 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 73 TYR OH : rot 180:sc= 0.898 USER MOD Set 1.2: A 98 LYS NZ :NH3+ -153:sc= 0.909 (180deg=-0.568) USER MOD Set 2.1: A 72 ASN : amide:sc= 0.495 K(o=1,f=-0.63) USER MOD Set 2.2: A 76 GLN : amide:sc= 0.546 K(o=1,f=-0.63) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 51 SER OG : rot 107:sc= 1.28 USER MOD Single : A 57 SER OG : rot 69:sc= 0.965 USER MOD Single : A 58 ASN : amide:sc= -0.0528 K(o=-0.053,f=-0.97!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= 1 (180deg=0.82) USER MOD Single : A 67 THR OG1 : rot -110:sc= -1.36 USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= -0.111 (180deg=-0.566) USER MOD Single : A 77 MET CE :methyl -130:sc= -0.336 (180deg=-1.06) USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= -0.421 (180deg=-1.72!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc=-0.000628 F(o=-0.98,f=-0.00063) USER MOD Single : A 97 LYS NZ :NH3+ 158:sc= -0.989! (180deg=-2.09!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 -21.428 25.853 11.848 1.00 0.00 N ATOM 22 CA ALA A 2 -21.184 26.481 13.147 1.00 0.00 C ATOM 23 C ALA A 2 -21.054 25.444 14.255 1.00 0.00 C ATOM 24 O ALA A 2 -20.260 25.603 15.182 1.00 0.00 O ATOM 25 CB ALA A 2 -22.301 27.462 13.474 1.00 0.00 C ATOM 0 HA ALA A 2 -20.239 27.021 13.084 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -22.108 27.923 14.443 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -22.343 28.235 12.706 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -23.253 26.932 13.507 1.00 0.00 H new ATOM 31 N ASP A 3 -21.824 24.379 14.156 1.00 0.00 N ATOM 32 CA ASP A 3 -21.762 23.307 15.145 1.00 0.00 C ATOM 33 C ASP A 3 -20.461 22.541 15.003 1.00 0.00 C ATOM 34 O ASP A 3 -19.782 22.286 15.986 1.00 0.00 O ATOM 35 CB ASP A 3 -22.946 22.361 15.008 1.00 0.00 C ATOM 36 CG ASP A 3 -22.946 21.261 16.042 1.00 0.00 C ATOM 37 OD1 ASP A 3 -23.469 21.472 17.159 1.00 0.00 O ATOM 38 OD2 ASP A 3 -22.466 20.170 15.757 1.00 0.00 O ATOM 0 H ASP A 3 -22.499 24.227 13.406 1.00 0.00 H new ATOM 0 HA ASP A 3 -21.805 23.759 16.136 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -23.871 22.931 15.092 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -22.935 21.916 14.013 1.00 0.00 H new ATOM 43 N GLU A 4 -20.102 22.245 13.754 1.00 0.00 N ATOM 44 CA GLU A 4 -18.874 21.515 13.411 1.00 0.00 C ATOM 45 C GLU A 4 -17.630 22.230 13.959 1.00 0.00 C ATOM 46 O GLU A 4 -16.722 21.593 14.503 1.00 0.00 O ATOM 47 CB GLU A 4 -18.755 21.342 11.879 1.00 0.00 C ATOM 48 CG GLU A 4 -19.808 20.427 11.255 1.00 0.00 C ATOM 49 CD GLU A 4 -19.692 20.337 9.741 1.00 0.00 C ATOM 50 OE1 GLU A 4 -18.900 19.523 9.225 1.00 0.00 O ATOM 51 OE2 GLU A 4 -20.398 21.088 9.036 1.00 0.00 O ATOM 0 H GLU A 4 -20.659 22.507 12.941 1.00 0.00 H new ATOM 0 HA GLU A 4 -18.933 20.530 13.875 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -18.823 22.324 11.410 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.766 20.946 11.648 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -19.713 19.428 11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -20.801 20.792 11.517 1.00 0.00 H new ATOM 58 N GLU A 5 -17.608 23.551 13.825 1.00 0.00 N ATOM 59 CA GLU A 5 -16.493 24.358 14.305 1.00 0.00 C ATOM 60 C GLU A 5 -16.469 24.380 15.834 1.00 0.00 C ATOM 61 O GLU A 5 -15.438 24.104 16.462 1.00 0.00 O ATOM 62 CB GLU A 5 -16.600 25.799 13.791 1.00 0.00 C ATOM 63 CG GLU A 5 -16.790 25.928 12.290 1.00 0.00 C ATOM 64 CD GLU A 5 -15.728 25.232 11.485 1.00 0.00 C ATOM 65 OE1 GLU A 5 -14.664 25.827 11.227 1.00 0.00 O ATOM 66 OE2 GLU A 5 -15.949 24.087 11.051 1.00 0.00 O ATOM 0 H GLU A 5 -18.355 24.089 13.385 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.574 23.909 13.929 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.436 26.287 14.292 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.698 26.339 14.076 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -17.764 25.520 12.020 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.801 26.985 12.024 1.00 0.00 H new ATOM 73 N LEU A 6 -17.630 24.683 16.421 1.00 0.00 N ATOM 74 CA LEU A 6 -17.779 24.785 17.870 1.00 0.00 C ATOM 75 C LEU A 6 -17.426 23.470 18.535 1.00 0.00 C ATOM 76 O LEU A 6 -16.704 23.457 19.538 1.00 0.00 O ATOM 77 CB LEU A 6 -19.229 25.242 18.229 1.00 0.00 C ATOM 78 CG LEU A 6 -19.611 25.530 19.726 1.00 0.00 C ATOM 79 CD1 LEU A 6 -19.757 24.266 20.566 1.00 0.00 C ATOM 80 CD2 LEU A 6 -18.615 26.485 20.377 1.00 0.00 C ATOM 0 H LEU A 6 -18.490 24.864 15.904 1.00 0.00 H new ATOM 0 HA LEU A 6 -17.087 25.538 18.248 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -19.433 26.150 17.661 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -19.911 24.476 17.861 1.00 0.00 H new ATOM 0 HG LEU A 6 -20.592 26.004 19.695 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -20.021 24.537 21.588 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -20.540 23.637 20.143 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -18.814 23.719 20.568 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -18.906 26.665 21.412 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -17.618 26.044 20.352 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -18.608 27.429 19.833 1.00 0.00 H new ATOM 92 N GLU A 7 -17.904 22.362 17.966 1.00 0.00 N ATOM 93 CA GLU A 7 -17.659 21.075 18.562 1.00 0.00 C ATOM 94 C GLU A 7 -16.187 20.761 18.512 1.00 0.00 C ATOM 95 O GLU A 7 -15.653 20.339 19.479 1.00 0.00 O ATOM 96 CB GLU A 7 -18.564 19.947 17.970 1.00 0.00 C ATOM 97 CG GLU A 7 -18.127 19.273 16.659 1.00 0.00 C ATOM 98 CD GLU A 7 -17.275 18.021 16.889 1.00 0.00 C ATOM 99 OE1 GLU A 7 -17.811 17.017 17.402 1.00 0.00 O ATOM 100 OE2 GLU A 7 -16.081 18.013 16.558 1.00 0.00 O ATOM 0 H GLU A 7 -18.453 22.342 17.107 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.949 21.121 19.612 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.663 19.169 18.727 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -19.558 20.367 17.813 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -19.012 19.004 16.082 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.561 19.987 16.060 1.00 0.00 H new ATOM 107 N ALA A 8 -15.529 21.096 17.404 1.00 0.00 N ATOM 108 CA ALA A 8 -14.090 20.846 17.239 1.00 0.00 C ATOM 109 C ALA A 8 -13.268 21.622 18.277 1.00 0.00 C ATOM 110 O ALA A 8 -12.286 21.104 18.831 1.00 0.00 O ATOM 111 CB ALA A 8 -13.640 21.215 15.833 1.00 0.00 C ATOM 0 H ALA A 8 -15.969 21.544 16.600 1.00 0.00 H new ATOM 0 HA ALA A 8 -13.919 19.781 17.396 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.572 21.023 15.731 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.188 20.615 15.106 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.837 22.272 15.653 1.00 0.00 H new ATOM 117 N LEU A 9 -13.675 22.856 18.533 1.00 0.00 N ATOM 118 CA LEU A 9 -13.021 23.697 19.515 1.00 0.00 C ATOM 119 C LEU A 9 -13.251 23.112 20.915 1.00 0.00 C ATOM 120 O LEU A 9 -12.295 22.831 21.650 1.00 0.00 O ATOM 121 CB LEU A 9 -13.545 25.159 19.373 1.00 0.00 C ATOM 122 CG LEU A 9 -12.888 26.276 20.232 1.00 0.00 C ATOM 123 CD1 LEU A 9 -13.219 27.635 19.638 1.00 0.00 C ATOM 124 CD2 LEU A 9 -13.385 26.246 21.676 1.00 0.00 C ATOM 0 H LEU A 9 -14.466 23.299 18.065 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.944 23.725 19.350 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.445 25.445 18.326 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.611 25.151 19.601 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.812 26.102 20.230 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.758 28.418 20.241 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.837 27.689 18.619 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.300 27.774 19.628 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.902 27.042 22.243 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.465 26.392 21.692 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.143 25.282 22.124 1.00 0.00 H new ATOM 136 N ARG A 10 -14.513 22.877 21.243 1.00 0.00 N ATOM 137 CA ARG A 10 -14.924 22.316 22.533 1.00 0.00 C ATOM 138 C ARG A 10 -14.265 20.951 22.779 1.00 0.00 C ATOM 139 O ARG A 10 -13.665 20.726 23.813 1.00 0.00 O ATOM 140 CB ARG A 10 -16.458 22.194 22.568 1.00 0.00 C ATOM 141 CG ARG A 10 -17.028 21.487 23.787 1.00 0.00 C ATOM 142 CD ARG A 10 -18.549 21.455 23.736 1.00 0.00 C ATOM 143 NE ARG A 10 -19.121 20.636 24.815 1.00 0.00 N ATOM 144 CZ ARG A 10 -20.297 20.859 25.428 1.00 0.00 C ATOM 145 NH1 ARG A 10 -21.053 21.912 25.095 1.00 0.00 N ATOM 146 NH2 ARG A 10 -20.713 20.023 26.370 1.00 0.00 N ATOM 0 H ARG A 10 -15.294 23.071 20.617 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.596 22.984 23.329 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.886 23.195 22.516 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.784 21.661 21.675 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.641 20.469 23.836 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.701 21.997 24.693 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.935 22.472 23.809 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.871 21.060 22.772 1.00 0.00 H new ATOM 0 HE ARG A 10 -18.579 19.829 25.125 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -20.739 22.556 24.369 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -21.943 22.070 25.567 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -20.142 19.217 26.625 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -21.604 20.186 26.839 1.00 0.00 H new ATOM 160 N ARG A 11 -14.349 20.098 21.789 1.00 0.00 N ATOM 161 CA ARG A 11 -13.835 18.730 21.807 1.00 0.00 C ATOM 162 C ARG A 11 -12.354 18.714 22.119 1.00 0.00 C ATOM 163 O ARG A 11 -11.901 17.971 22.984 1.00 0.00 O ATOM 164 CB ARG A 11 -14.075 18.168 20.443 1.00 0.00 C ATOM 165 CG ARG A 11 -13.905 16.704 20.237 1.00 0.00 C ATOM 166 CD ARG A 11 -14.281 16.398 18.802 1.00 0.00 C ATOM 167 NE ARG A 11 -14.193 14.989 18.473 1.00 0.00 N ATOM 168 CZ ARG A 11 -14.727 14.441 17.390 1.00 0.00 C ATOM 169 NH1 ARG A 11 -15.418 15.190 16.524 1.00 0.00 N ATOM 170 NH2 ARG A 11 -14.595 13.138 17.169 1.00 0.00 N ATOM 0 H ARG A 11 -14.796 20.338 20.904 1.00 0.00 H new ATOM 0 HA ARG A 11 -14.334 18.142 22.577 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.093 18.427 20.152 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.406 18.680 19.751 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.875 16.406 20.435 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.537 16.144 20.926 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.298 16.744 18.619 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.628 16.961 18.135 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.688 14.380 19.116 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.537 16.189 16.695 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.826 14.763 15.693 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.082 12.558 17.833 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.006 12.718 16.336 1.00 0.00 H new ATOM 184 N GLN A 12 -11.613 19.560 21.438 1.00 0.00 N ATOM 185 CA GLN A 12 -10.185 19.665 21.655 1.00 0.00 C ATOM 186 C GLN A 12 -9.875 20.174 23.059 1.00 0.00 C ATOM 187 O GLN A 12 -8.963 19.678 23.718 1.00 0.00 O ATOM 188 CB GLN A 12 -9.540 20.533 20.578 1.00 0.00 C ATOM 189 CG GLN A 12 -8.067 20.824 20.794 1.00 0.00 C ATOM 190 CD GLN A 12 -7.450 21.479 19.594 1.00 0.00 C ATOM 191 OE1 GLN A 12 -7.468 22.703 19.460 1.00 0.00 O ATOM 192 NE2 GLN A 12 -6.895 20.690 18.726 1.00 0.00 N ATOM 0 H GLN A 12 -11.978 20.190 20.724 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.752 18.668 21.577 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.661 20.040 19.613 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.079 21.479 20.523 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.947 21.470 21.663 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.541 19.895 21.013 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.903 19.681 18.876 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.451 21.079 17.894 1.00 0.00 H new ATOM 201 N ARG A 13 -10.658 21.124 23.539 1.00 0.00 N ATOM 202 CA ARG A 13 -10.447 21.639 24.874 1.00 0.00 C ATOM 203 C ARG A 13 -10.811 20.591 25.923 1.00 0.00 C ATOM 204 O ARG A 13 -10.177 20.514 26.987 1.00 0.00 O ATOM 205 CB ARG A 13 -11.184 22.954 25.118 1.00 0.00 C ATOM 206 CG ARG A 13 -10.759 24.065 24.177 1.00 0.00 C ATOM 207 CD ARG A 13 -11.268 25.414 24.639 1.00 0.00 C ATOM 208 NE ARG A 13 -10.574 25.875 25.856 1.00 0.00 N ATOM 209 CZ ARG A 13 -10.887 26.979 26.547 1.00 0.00 C ATOM 210 NH1 ARG A 13 -11.963 27.680 26.230 1.00 0.00 N ATOM 211 NH2 ARG A 13 -10.133 27.358 27.574 1.00 0.00 N ATOM 0 H ARG A 13 -11.434 21.547 23.031 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.384 21.861 24.967 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.256 22.787 25.011 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.013 23.273 26.146 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.671 24.090 24.110 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.135 23.857 23.175 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.131 26.146 23.843 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.339 25.351 24.833 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.796 25.310 26.198 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.557 27.380 25.457 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.198 28.520 26.758 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.315 26.808 27.837 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.372 28.199 28.099 1.00 0.00 H new ATOM 225 N LEU A 14 -11.805 19.765 25.608 1.00 0.00 N ATOM 226 CA LEU A 14 -12.209 18.679 26.438 1.00 0.00 C ATOM 227 C LEU A 14 -11.137 17.614 26.490 1.00 0.00 C ATOM 228 O LEU A 14 -10.980 16.945 27.493 1.00 0.00 O ATOM 229 CB LEU A 14 -13.478 18.092 25.922 1.00 0.00 C ATOM 230 CG LEU A 14 -14.752 18.921 26.055 1.00 0.00 C ATOM 231 CD1 LEU A 14 -15.907 18.191 25.403 1.00 0.00 C ATOM 232 CD2 LEU A 14 -15.068 19.211 27.517 1.00 0.00 C ATOM 0 H LEU A 14 -12.350 19.849 24.750 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.368 19.059 27.447 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.336 17.864 24.866 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.641 17.144 26.434 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.597 19.875 25.551 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.815 18.786 25.500 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.688 18.033 24.347 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.051 17.227 25.892 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.981 19.803 27.581 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.206 18.272 28.053 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.243 19.766 27.964 1.00 0.00 H new ATOM 656 N ILE A 43 1.116 0.529 -1.776 1.00 0.00 N ATOM 657 CA ILE A 43 1.056 -0.916 -1.680 1.00 0.00 C ATOM 658 C ILE A 43 -0.127 -1.429 -2.465 1.00 0.00 C ATOM 659 O ILE A 43 -0.024 -2.396 -3.172 1.00 0.00 O ATOM 660 CB ILE A 43 1.043 -1.501 -0.220 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.301 -1.258 0.536 1.00 0.00 C ATOM 662 CG2 ILE A 43 2.222 -0.951 0.560 1.00 0.00 C ATOM 663 CD1 ILE A 43 -0.372 -1.895 1.903 1.00 0.00 C ATOM 0 HA ILE A 43 1.993 -1.272 -2.107 1.00 0.00 H new ATOM 0 HB ILE A 43 1.135 -2.584 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.456 -0.184 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.120 -1.640 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.211 -1.358 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.150 -1.235 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.153 0.136 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.339 -1.676 2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.252 -2.974 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.423 -1.495 2.532 1.00 0.00 H new ATOM 675 N LEU A 44 -1.230 -0.698 -2.398 1.00 0.00 N ATOM 676 CA LEU A 44 -2.488 -1.097 -3.032 1.00 0.00 C ATOM 677 C LEU A 44 -2.345 -1.215 -4.542 1.00 0.00 C ATOM 678 O LEU A 44 -2.982 -2.061 -5.174 1.00 0.00 O ATOM 679 CB LEU A 44 -3.584 -0.103 -2.669 1.00 0.00 C ATOM 680 CG LEU A 44 -3.874 0.038 -1.173 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.922 1.099 -0.930 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.312 -1.290 -0.585 1.00 0.00 C ATOM 0 H LEU A 44 -1.283 0.192 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.760 -2.084 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.308 0.876 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.503 -0.401 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.954 0.346 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.113 1.183 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.566 2.056 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.844 0.824 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.513 -1.168 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.217 -1.630 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.521 -2.027 -0.723 1.00 0.00 H new ATOM 694 N ALA A 45 -1.513 -0.366 -5.094 1.00 0.00 N ATOM 695 CA ALA A 45 -1.194 -0.363 -6.501 1.00 0.00 C ATOM 696 C ALA A 45 -0.440 -1.640 -6.927 1.00 0.00 C ATOM 697 O ALA A 45 -0.597 -2.101 -8.041 1.00 0.00 O ATOM 698 CB ALA A 45 -0.390 0.887 -6.835 1.00 0.00 C ATOM 0 H ALA A 45 -1.028 0.359 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.127 -0.352 -7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.148 0.891 -7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.977 1.773 -6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.532 0.893 -6.253 1.00 0.00 H new ATOM 704 N GLN A 46 0.393 -2.179 -6.046 1.00 0.00 N ATOM 705 CA GLN A 46 1.157 -3.403 -6.345 1.00 0.00 C ATOM 706 C GLN A 46 0.520 -4.684 -5.777 1.00 0.00 C ATOM 707 O GLN A 46 0.866 -5.794 -6.192 1.00 0.00 O ATOM 708 CB GLN A 46 2.622 -3.257 -5.947 1.00 0.00 C ATOM 709 CG GLN A 46 2.850 -2.811 -4.528 1.00 0.00 C ATOM 710 CD GLN A 46 4.306 -2.594 -4.247 1.00 0.00 C ATOM 711 OE1 GLN A 46 5.005 -3.493 -3.804 1.00 0.00 O ATOM 712 NE2 GLN A 46 4.787 -1.423 -4.558 1.00 0.00 N ATOM 0 H GLN A 46 0.563 -1.795 -5.117 1.00 0.00 H new ATOM 0 HA GLN A 46 1.120 -3.525 -7.427 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.121 -4.214 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.097 -2.541 -6.618 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.301 -1.887 -4.343 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.454 -3.560 -3.842 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.169 -0.699 -4.925 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.781 -1.231 -4.434 1.00 0.00 H new ATOM 721 N VAL A 47 -0.353 -4.534 -4.791 1.00 0.00 N ATOM 722 CA VAL A 47 -1.106 -5.668 -4.247 1.00 0.00 C ATOM 723 C VAL A 47 -2.136 -6.077 -5.258 1.00 0.00 C ATOM 724 O VAL A 47 -2.349 -7.263 -5.517 1.00 0.00 O ATOM 725 CB VAL A 47 -1.782 -5.342 -2.869 1.00 0.00 C ATOM 726 CG1 VAL A 47 -2.660 -6.490 -2.389 1.00 0.00 C ATOM 727 CG2 VAL A 47 -0.733 -5.032 -1.810 1.00 0.00 C ATOM 0 H VAL A 47 -0.561 -3.639 -4.347 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.410 -6.485 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.411 -4.465 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.111 -6.228 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.445 -6.678 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.053 -7.387 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.226 -4.809 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.078 -5.894 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.143 -4.171 -2.123 1.00 0.00 H new ATOM 737 N LEU A 48 -2.749 -5.103 -5.842 1.00 0.00 N ATOM 738 CA LEU A 48 -3.656 -5.342 -6.891 1.00 0.00 C ATOM 739 C LEU A 48 -2.891 -5.377 -8.168 1.00 0.00 C ATOM 740 O LEU A 48 -1.988 -4.569 -8.388 1.00 0.00 O ATOM 741 CB LEU A 48 -4.733 -4.260 -6.970 1.00 0.00 C ATOM 742 CG LEU A 48 -5.750 -4.221 -5.833 1.00 0.00 C ATOM 743 CD1 LEU A 48 -6.664 -3.037 -6.002 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.570 -5.486 -5.821 1.00 0.00 C ATOM 0 H LEU A 48 -2.629 -4.120 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.160 -6.291 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.238 -3.290 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.275 -4.387 -7.907 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.212 -4.134 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.387 -3.016 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.076 -2.119 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.191 -3.117 -6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.291 -5.444 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.100 -5.585 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.913 -6.344 -5.681 1.00 0.00 H new ATOM 756 N ASP A 49 -3.189 -6.341 -8.964 1.00 0.00 N ATOM 757 CA ASP A 49 -2.655 -6.407 -10.288 1.00 0.00 C ATOM 758 C ASP A 49 -3.156 -5.192 -11.045 1.00 0.00 C ATOM 759 O ASP A 49 -4.265 -4.720 -10.782 1.00 0.00 O ATOM 760 CB ASP A 49 -3.099 -7.699 -10.979 1.00 0.00 C ATOM 761 CG ASP A 49 -2.584 -7.814 -12.385 1.00 0.00 C ATOM 762 OD1 ASP A 49 -1.391 -8.115 -12.566 1.00 0.00 O ATOM 763 OD2 ASP A 49 -3.366 -7.613 -13.338 1.00 0.00 O ATOM 0 H ASP A 49 -3.811 -7.111 -8.720 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.565 -6.411 -10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.752 -8.554 -10.399 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.188 -7.743 -10.991 1.00 0.00 H new ATOM 768 N GLN A 50 -2.349 -4.688 -11.949 1.00 0.00 N ATOM 769 CA GLN A 50 -2.657 -3.471 -12.732 1.00 0.00 C ATOM 770 C GLN A 50 -4.069 -3.500 -13.330 1.00 0.00 C ATOM 771 O GLN A 50 -4.777 -2.490 -13.316 1.00 0.00 O ATOM 772 CB GLN A 50 -1.614 -3.273 -13.841 1.00 0.00 C ATOM 773 CG GLN A 50 -1.873 -2.065 -14.736 1.00 0.00 C ATOM 774 CD GLN A 50 -0.845 -1.904 -15.839 1.00 0.00 C ATOM 775 OE1 GLN A 50 -0.254 -2.883 -16.321 1.00 0.00 O ATOM 776 NE2 GLN A 50 -0.620 -0.693 -16.254 1.00 0.00 N ATOM 0 H GLN A 50 -1.445 -5.102 -12.179 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.618 -2.628 -12.042 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.630 -3.168 -13.384 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.584 -4.170 -14.460 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.863 -2.158 -15.182 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.883 -1.163 -14.124 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.123 0.091 -15.837 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.059 -0.526 -16.997 1.00 0.00 H new ATOM 785 N SER A 51 -4.495 -4.666 -13.772 1.00 0.00 N ATOM 786 CA SER A 51 -5.797 -4.823 -14.384 1.00 0.00 C ATOM 787 C SER A 51 -6.904 -4.550 -13.338 1.00 0.00 C ATOM 788 O SER A 51 -7.907 -3.880 -13.621 1.00 0.00 O ATOM 789 CB SER A 51 -5.914 -6.245 -14.906 1.00 0.00 C ATOM 790 OG SER A 51 -4.648 -6.693 -15.418 1.00 0.00 O ATOM 0 H SER A 51 -3.951 -5.527 -13.717 1.00 0.00 H new ATOM 0 HA SER A 51 -5.914 -4.115 -15.205 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.246 -6.907 -14.106 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.669 -6.291 -15.691 1.00 0.00 H new ATOM 0 HG SER A 51 -4.260 -7.349 -14.802 1.00 0.00 H new ATOM 796 N ALA A 52 -6.675 -5.026 -12.122 1.00 0.00 N ATOM 797 CA ALA A 52 -7.611 -4.876 -11.029 1.00 0.00 C ATOM 798 C ALA A 52 -7.577 -3.457 -10.494 1.00 0.00 C ATOM 799 O ALA A 52 -8.600 -2.905 -10.112 1.00 0.00 O ATOM 800 CB ALA A 52 -7.298 -5.865 -9.921 1.00 0.00 C ATOM 0 H ALA A 52 -5.825 -5.531 -11.870 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.614 -5.082 -11.404 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.012 -5.738 -9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.368 -6.881 -10.310 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.289 -5.688 -9.549 1.00 0.00 H new ATOM 806 N ARG A 53 -6.403 -2.859 -10.485 1.00 0.00 N ATOM 807 CA ARG A 53 -6.249 -1.508 -10.001 1.00 0.00 C ATOM 808 C ARG A 53 -6.986 -0.553 -10.946 1.00 0.00 C ATOM 809 O ARG A 53 -7.672 0.386 -10.510 1.00 0.00 O ATOM 810 CB ARG A 53 -4.772 -1.145 -9.920 1.00 0.00 C ATOM 811 CG ARG A 53 -4.489 0.081 -9.065 1.00 0.00 C ATOM 812 CD ARG A 53 -4.799 -0.169 -7.578 1.00 0.00 C ATOM 813 NE ARG A 53 -4.783 1.078 -6.797 1.00 0.00 N ATOM 814 CZ ARG A 53 -5.463 1.297 -5.657 1.00 0.00 C ATOM 815 NH1 ARG A 53 -6.078 0.307 -5.034 1.00 0.00 N ATOM 816 NH2 ARG A 53 -5.482 2.487 -5.115 1.00 0.00 N ATOM 0 H ARG A 53 -5.539 -3.293 -10.810 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.674 -1.425 -9.001 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.220 -1.994 -9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.394 -0.969 -10.927 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.442 0.366 -9.174 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.086 0.919 -9.424 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.776 -0.643 -7.486 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.067 -0.864 -7.167 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.207 1.842 -7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.041 -0.638 -5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.590 0.488 -4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.979 3.257 -5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.000 2.645 -4.251 1.00 0.00 H new ATOM 830 N ALA A 54 -6.861 -0.826 -12.231 1.00 0.00 N ATOM 831 CA ALA A 54 -7.573 -0.082 -13.269 1.00 0.00 C ATOM 832 C ALA A 54 -9.086 -0.220 -13.073 1.00 0.00 C ATOM 833 O ALA A 54 -9.832 0.760 -13.188 1.00 0.00 O ATOM 834 CB ALA A 54 -7.172 -0.573 -14.648 1.00 0.00 C ATOM 0 H ALA A 54 -6.264 -1.570 -12.592 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.303 0.971 -13.188 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.712 -0.007 -15.407 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.100 -0.434 -14.786 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.415 -1.631 -14.742 1.00 0.00 H new ATOM 840 N ARG A 55 -9.516 -1.437 -12.746 1.00 0.00 N ATOM 841 CA ARG A 55 -10.910 -1.745 -12.442 1.00 0.00 C ATOM 842 C ARG A 55 -11.379 -0.950 -11.222 1.00 0.00 C ATOM 843 O ARG A 55 -12.490 -0.439 -11.190 1.00 0.00 O ATOM 844 CB ARG A 55 -11.042 -3.243 -12.162 1.00 0.00 C ATOM 845 CG ARG A 55 -12.438 -3.682 -11.810 1.00 0.00 C ATOM 846 CD ARG A 55 -13.365 -3.689 -13.011 1.00 0.00 C ATOM 847 NE ARG A 55 -14.733 -4.031 -12.617 1.00 0.00 N ATOM 848 CZ ARG A 55 -15.458 -5.058 -13.088 1.00 0.00 C ATOM 849 NH1 ARG A 55 -14.959 -5.861 -14.024 1.00 0.00 N ATOM 850 NH2 ARG A 55 -16.683 -5.271 -12.614 1.00 0.00 N ATOM 0 H ARG A 55 -8.898 -2.246 -12.684 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.531 -1.470 -13.295 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.709 -3.796 -13.040 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.372 -3.509 -11.345 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.403 -4.681 -11.377 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.843 -3.018 -11.047 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.355 -2.709 -13.488 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.005 -4.407 -13.748 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.177 -3.433 -11.920 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.020 -5.698 -14.388 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.515 -6.640 -14.377 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.066 -4.656 -11.897 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.239 -6.050 -12.968 1.00 0.00 H new ATOM 864 N LEU A 56 -10.517 -0.822 -10.244 1.00 0.00 N ATOM 865 CA LEU A 56 -10.857 -0.123 -9.028 1.00 0.00 C ATOM 866 C LEU A 56 -10.923 1.390 -9.257 1.00 0.00 C ATOM 867 O LEU A 56 -11.694 2.095 -8.612 1.00 0.00 O ATOM 868 CB LEU A 56 -9.884 -0.478 -7.913 1.00 0.00 C ATOM 869 CG LEU A 56 -10.266 0.020 -6.525 1.00 0.00 C ATOM 870 CD1 LEU A 56 -11.652 -0.476 -6.150 1.00 0.00 C ATOM 871 CD2 LEU A 56 -9.262 -0.453 -5.509 1.00 0.00 C ATOM 0 H LEU A 56 -9.568 -1.195 -10.266 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.851 -0.446 -8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.782 -1.563 -7.875 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.904 -0.074 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.272 1.110 -6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.912 -0.113 -5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.379 -0.106 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.661 -1.566 -6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.546 -0.091 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.237 -1.543 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.275 -0.069 -5.767 1.00 0.00 H new ATOM 883 N SER A 57 -10.144 1.868 -10.195 1.00 0.00 N ATOM 884 CA SER A 57 -10.162 3.267 -10.570 1.00 0.00 C ATOM 885 C SER A 57 -11.510 3.596 -11.239 1.00 0.00 C ATOM 886 O SER A 57 -12.105 4.662 -11.032 1.00 0.00 O ATOM 887 CB SER A 57 -9.006 3.518 -11.519 1.00 0.00 C ATOM 888 OG SER A 57 -7.762 3.196 -10.899 1.00 0.00 O ATOM 0 H SER A 57 -9.479 1.302 -10.722 1.00 0.00 H new ATOM 0 HA SER A 57 -10.052 3.908 -9.695 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.134 2.919 -12.421 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.004 4.563 -11.828 1.00 0.00 H new ATOM 0 HG SER A 57 -7.703 2.227 -10.768 1.00 0.00 H new ATOM 894 N ASN A 58 -11.975 2.639 -12.008 1.00 0.00 N ATOM 895 CA ASN A 58 -13.285 2.671 -12.676 1.00 0.00 C ATOM 896 C ASN A 58 -14.394 2.646 -11.603 1.00 0.00 C ATOM 897 O ASN A 58 -15.408 3.336 -11.707 1.00 0.00 O ATOM 898 CB ASN A 58 -13.372 1.426 -13.600 1.00 0.00 C ATOM 899 CG ASN A 58 -14.615 1.298 -14.491 1.00 0.00 C ATOM 900 OD1 ASN A 58 -15.722 1.740 -14.166 1.00 0.00 O ATOM 901 ND2 ASN A 58 -14.432 0.649 -15.622 1.00 0.00 N ATOM 0 H ASN A 58 -11.449 1.787 -12.201 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.410 3.575 -13.273 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.493 1.422 -14.244 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.312 0.536 -12.974 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.216 0.500 -16.257 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.506 0.296 -15.863 1.00 0.00 H new ATOM 908 N LEU A 59 -14.154 1.878 -10.552 1.00 0.00 N ATOM 909 CA LEU A 59 -15.084 1.736 -9.434 1.00 0.00 C ATOM 910 C LEU A 59 -15.183 3.076 -8.677 1.00 0.00 C ATOM 911 O LEU A 59 -16.268 3.508 -8.280 1.00 0.00 O ATOM 912 CB LEU A 59 -14.572 0.618 -8.494 1.00 0.00 C ATOM 913 CG LEU A 59 -15.601 -0.167 -7.645 1.00 0.00 C ATOM 914 CD1 LEU A 59 -16.365 0.711 -6.670 1.00 0.00 C ATOM 915 CD2 LEU A 59 -16.551 -0.931 -8.546 1.00 0.00 C ATOM 0 H LEU A 59 -13.301 1.329 -10.446 1.00 0.00 H new ATOM 0 HA LEU A 59 -16.075 1.468 -9.800 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -14.027 -0.103 -9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.851 1.066 -7.810 1.00 0.00 H new ATOM 0 HG LEU A 59 -15.036 -0.873 -7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -17.070 0.100 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.665 1.186 -5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -16.909 1.478 -7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -17.269 -1.479 -7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -17.082 -0.231 -9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.986 -1.633 -9.159 1.00 0.00 H new ATOM 927 N ALA A 60 -14.046 3.733 -8.515 1.00 0.00 N ATOM 928 CA ALA A 60 -13.968 5.030 -7.832 1.00 0.00 C ATOM 929 C ALA A 60 -14.768 6.095 -8.580 1.00 0.00 C ATOM 930 O ALA A 60 -15.289 7.039 -7.975 1.00 0.00 O ATOM 931 CB ALA A 60 -12.518 5.464 -7.681 1.00 0.00 C ATOM 0 H ALA A 60 -13.146 3.389 -8.851 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.405 4.915 -6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.478 6.427 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.975 4.722 -7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.061 5.554 -8.666 1.00 0.00 H new ATOM 937 N LEU A 61 -14.878 5.915 -9.888 1.00 0.00 N ATOM 938 CA LEU A 61 -15.629 6.810 -10.733 1.00 0.00 C ATOM 939 C LEU A 61 -17.119 6.722 -10.430 1.00 0.00 C ATOM 940 O LEU A 61 -17.815 7.745 -10.340 1.00 0.00 O ATOM 941 CB LEU A 61 -15.384 6.476 -12.183 1.00 0.00 C ATOM 942 CG LEU A 61 -16.132 7.315 -13.226 1.00 0.00 C ATOM 943 CD1 LEU A 61 -15.675 8.759 -13.194 1.00 0.00 C ATOM 944 CD2 LEU A 61 -15.969 6.726 -14.614 1.00 0.00 C ATOM 0 H LEU A 61 -14.444 5.139 -10.388 1.00 0.00 H new ATOM 0 HA LEU A 61 -15.295 7.828 -10.533 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.315 6.569 -12.376 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.646 5.429 -12.339 1.00 0.00 H new ATOM 0 HG LEU A 61 -17.192 7.294 -12.973 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -16.222 9.330 -13.944 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.866 9.179 -12.207 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -14.607 8.808 -13.408 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -16.509 7.339 -15.335 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.912 6.702 -14.877 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -16.369 5.712 -14.628 1.00 0.00 H new ATOM 956 N VAL A 62 -17.602 5.512 -10.240 1.00 0.00 N ATOM 957 CA VAL A 62 -19.010 5.303 -9.988 1.00 0.00 C ATOM 958 C VAL A 62 -19.385 5.525 -8.515 1.00 0.00 C ATOM 959 O VAL A 62 -20.311 6.276 -8.228 1.00 0.00 O ATOM 960 CB VAL A 62 -19.544 3.936 -10.535 1.00 0.00 C ATOM 961 CG1 VAL A 62 -19.431 3.897 -12.050 1.00 0.00 C ATOM 962 CG2 VAL A 62 -18.800 2.749 -9.939 1.00 0.00 C ATOM 0 H VAL A 62 -17.041 4.661 -10.255 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.524 6.074 -10.563 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.590 3.858 -10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.805 2.942 -12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -20.020 4.707 -12.480 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -18.387 4.014 -12.340 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -19.205 1.823 -10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.741 2.822 -10.186 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.921 2.751 -8.856 1.00 0.00 H new ATOM 972 N LYS A 63 -18.645 4.932 -7.592 1.00 0.00 N ATOM 973 CA LYS A 63 -18.925 5.093 -6.168 1.00 0.00 C ATOM 974 C LYS A 63 -17.714 4.768 -5.293 1.00 0.00 C ATOM 975 O LYS A 63 -17.395 3.600 -5.047 1.00 0.00 O ATOM 976 CB LYS A 63 -20.181 4.325 -5.714 1.00 0.00 C ATOM 977 CG LYS A 63 -20.263 2.872 -6.133 1.00 0.00 C ATOM 978 CD LYS A 63 -21.524 2.248 -5.578 1.00 0.00 C ATOM 979 CE LYS A 63 -21.582 0.765 -5.849 1.00 0.00 C ATOM 980 NZ LYS A 63 -21.780 0.429 -7.277 1.00 0.00 N ATOM 0 H LYS A 63 -17.845 4.334 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.142 6.152 -6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -20.237 4.372 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -21.058 4.843 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -20.258 2.797 -7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -19.389 2.330 -5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -21.574 2.423 -4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -22.394 2.733 -6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -20.657 0.305 -5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -22.394 0.329 -5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -21.810 -0.604 -7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -22.676 0.840 -7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.993 0.815 -7.837 1.00 0.00 H new ATOM 994 N PRO A 64 -17.066 5.814 -4.759 1.00 0.00 N ATOM 995 CA PRO A 64 -15.812 5.695 -3.999 1.00 0.00 C ATOM 996 C PRO A 64 -15.959 5.052 -2.612 1.00 0.00 C ATOM 997 O PRO A 64 -14.954 4.710 -1.970 1.00 0.00 O ATOM 998 CB PRO A 64 -15.336 7.140 -3.871 1.00 0.00 C ATOM 999 CG PRO A 64 -16.579 7.951 -3.916 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.512 7.228 -4.843 1.00 0.00 C ATOM 0 HA PRO A 64 -15.117 5.030 -4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.794 7.297 -2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.659 7.407 -4.682 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.016 8.051 -2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.374 8.959 -4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.551 7.339 -4.532 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.441 7.610 -5.861 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.192 4.840 -2.145 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.359 4.297 -0.805 1.00 0.00 C ATOM 1010 C GLU A 65 -17.027 2.844 -0.784 1.00 0.00 C ATOM 1011 O GLU A 65 -16.509 2.325 0.200 1.00 0.00 O ATOM 1012 CB GLU A 65 -18.745 4.536 -0.235 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.039 5.986 0.066 1.00 0.00 C ATOM 1014 CD GLU A 65 -20.391 6.170 0.689 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -21.403 6.169 -0.045 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -20.469 6.295 1.929 1.00 0.00 O ATOM 0 H GLU A 65 -18.055 5.029 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.662 4.835 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.487 4.164 -0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -18.856 3.955 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -18.275 6.379 0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -18.983 6.566 -0.855 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.299 2.193 -1.881 1.00 0.00 N ATOM 1024 CA LYS A 66 -17.003 0.794 -1.989 1.00 0.00 C ATOM 1025 C LYS A 66 -15.514 0.634 -2.269 1.00 0.00 C ATOM 1026 O LYS A 66 -14.889 -0.346 -1.863 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.845 0.140 -3.083 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.315 0.590 -3.103 1.00 0.00 C ATOM 1029 CD LYS A 66 -20.028 0.475 -1.752 1.00 0.00 C ATOM 1030 CE LYS A 66 -20.157 -0.952 -1.290 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.900 -1.043 -0.022 1.00 0.00 N ATOM 0 H LYS A 66 -17.724 2.608 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.252 0.292 -1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.396 0.361 -4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.810 -0.942 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.361 1.626 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.855 -0.007 -3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.479 1.048 -1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.020 0.920 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.667 -1.539 -2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.165 -1.386 -1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.757 -1.984 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.555 -0.315 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.914 -0.895 -0.202 1.00 0.00 H new ATOM 1045 N THR A 67 -14.960 1.635 -2.943 1.00 0.00 N ATOM 1046 CA THR A 67 -13.558 1.696 -3.267 1.00 0.00 C ATOM 1047 C THR A 67 -12.719 1.710 -1.983 1.00 0.00 C ATOM 1048 O THR A 67 -11.835 0.873 -1.811 1.00 0.00 O ATOM 1049 CB THR A 67 -13.287 2.973 -4.062 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.299 3.094 -5.075 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.919 2.931 -4.726 1.00 0.00 C ATOM 0 H THR A 67 -15.491 2.437 -3.282 1.00 0.00 H new ATOM 0 HA THR A 67 -13.286 0.821 -3.858 1.00 0.00 H new ATOM 0 HB THR A 67 -13.306 3.825 -3.382 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.899 2.943 -5.957 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.757 3.853 -5.284 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.147 2.827 -3.963 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.871 2.082 -5.408 1.00 0.00 H new ATOM 1059 N LYS A 68 -13.049 2.617 -1.052 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.297 2.711 0.189 1.00 0.00 C ATOM 1061 C LYS A 68 -12.423 1.447 1.023 1.00 0.00 C ATOM 1062 O LYS A 68 -11.491 1.082 1.746 1.00 0.00 O ATOM 1063 CB LYS A 68 -12.621 3.966 1.020 1.00 0.00 C ATOM 1064 CG LYS A 68 -14.002 4.039 1.632 1.00 0.00 C ATOM 1065 CD LYS A 68 -14.062 5.205 2.601 1.00 0.00 C ATOM 1066 CE LYS A 68 -15.368 5.257 3.357 1.00 0.00 C ATOM 1067 NZ LYS A 68 -16.522 5.568 2.496 1.00 0.00 N ATOM 0 H LYS A 68 -13.819 3.281 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.255 2.816 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.889 4.040 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.485 4.840 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.752 4.162 0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.232 3.108 2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.238 5.128 3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.925 6.137 2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.536 4.298 3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.296 6.008 4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.307 5.920 3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.252 6.296 1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.823 4.708 1.995 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.569 0.777 0.901 1.00 0.00 N ATOM 1082 CA ALA A 69 -13.827 -0.450 1.613 1.00 0.00 C ATOM 1083 C ALA A 69 -12.878 -1.540 1.150 1.00 0.00 C ATOM 1084 O ALA A 69 -12.193 -2.166 1.963 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.262 -0.882 1.395 1.00 0.00 C ATOM 0 H ALA A 69 -14.338 1.079 0.303 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.665 -0.278 2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.449 -1.810 1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.935 -0.107 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.436 -1.041 0.331 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.803 -1.742 -0.164 1.00 0.00 N ATOM 1092 CA VAL A 70 -11.919 -2.756 -0.696 1.00 0.00 C ATOM 1093 C VAL A 70 -10.458 -2.370 -0.528 1.00 0.00 C ATOM 1094 O VAL A 70 -9.642 -3.213 -0.218 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.220 -3.169 -2.170 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.588 -3.793 -2.285 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -12.115 -1.998 -3.110 1.00 0.00 C ATOM 0 H VAL A 70 -13.336 -1.224 -0.862 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.121 -3.643 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.467 -3.904 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.774 -4.072 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.637 -4.681 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.343 -3.077 -1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.332 -2.327 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.831 -1.230 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.106 -1.588 -3.069 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.134 -1.087 -0.689 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.762 -0.633 -0.507 1.00 0.00 C ATOM 1109 C GLU A 71 -8.284 -0.902 0.904 1.00 0.00 C ATOM 1110 O GLU A 71 -7.169 -1.388 1.105 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.582 0.841 -0.873 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.705 1.119 -2.355 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.303 2.521 -2.717 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -9.142 3.425 -2.663 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -7.117 2.731 -3.067 1.00 0.00 O ATOM 0 H GLU A 71 -10.796 -0.354 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.145 -1.209 -1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.325 1.432 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.603 1.174 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.083 0.413 -2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.735 0.948 -2.668 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.151 -0.650 1.872 1.00 0.00 N ATOM 1123 CA ASN A 72 -8.831 -0.882 3.269 1.00 0.00 C ATOM 1124 C ASN A 72 -8.654 -2.375 3.500 1.00 0.00 C ATOM 1125 O ASN A 72 -7.786 -2.815 4.260 1.00 0.00 O ATOM 1126 CB ASN A 72 -9.963 -0.384 4.161 1.00 0.00 C ATOM 1127 CG ASN A 72 -9.526 -0.192 5.594 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -9.547 -1.121 6.413 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -9.169 1.021 5.918 1.00 0.00 N ATOM 0 H ASN A 72 -10.089 -0.282 1.712 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.914 -0.346 3.513 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.341 0.560 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.788 -1.096 4.128 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.893 1.232 6.877 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.166 1.757 5.212 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.468 -3.143 2.800 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.476 -4.574 2.909 1.00 0.00 C ATOM 1138 C TYR A 73 -8.168 -5.165 2.364 1.00 0.00 C ATOM 1139 O TYR A 73 -7.587 -6.044 2.990 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.679 -5.147 2.162 1.00 0.00 C ATOM 1141 CG TYR A 73 -11.026 -6.563 2.546 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -10.435 -7.652 1.920 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -11.964 -6.804 3.538 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -10.765 -8.940 2.276 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -12.303 -8.082 3.902 1.00 0.00 C ATOM 1146 CZ TYR A 73 -11.698 -9.153 3.266 1.00 0.00 C ATOM 1147 OH TYR A 73 -12.038 -10.442 3.611 1.00 0.00 O ATOM 0 H TYR A 73 -10.148 -2.777 2.133 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.556 -4.845 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.544 -4.510 2.346 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.479 -5.111 1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.705 -7.486 1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.437 -5.969 4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.295 -9.778 1.782 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.035 -8.252 4.678 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.708 -10.423 4.326 1.00 0.00 H new ATOM 1157 N LEU A 74 -7.700 -4.673 1.203 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.438 -5.162 0.611 1.00 0.00 C ATOM 1159 C LEU A 74 -5.253 -4.946 1.536 1.00 0.00 C ATOM 1160 O LEU A 74 -4.378 -5.813 1.624 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.131 -4.585 -0.796 1.00 0.00 C ATOM 1162 CG LEU A 74 -6.778 -5.270 -2.032 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.381 -6.726 -2.119 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.283 -5.139 -2.053 1.00 0.00 C ATOM 0 H LEU A 74 -8.168 -3.947 0.661 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.595 -6.233 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.435 -3.538 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.050 -4.603 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.395 -4.744 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.849 -7.179 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.297 -6.803 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.711 -7.247 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.679 -5.636 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.701 -5.602 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.556 -4.084 -2.077 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.240 -3.805 2.245 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.181 -3.487 3.221 1.00 0.00 C ATOM 1178 C ILE A 75 -4.088 -4.639 4.237 1.00 0.00 C ATOM 1179 O ILE A 75 -3.000 -5.124 4.575 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.528 -2.203 4.039 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -4.811 -1.014 3.121 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.392 -1.859 5.011 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.286 0.222 3.856 1.00 0.00 C ATOM 0 H ILE A 75 -5.955 -3.083 2.160 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.253 -3.337 2.670 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.433 -2.412 4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.905 -0.771 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.565 -1.303 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.652 -0.961 5.572 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.241 -2.688 5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.474 -1.683 4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.467 1.024 3.140 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.210 -0.004 4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.524 0.537 4.569 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.253 -5.079 4.689 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.370 -6.126 5.687 1.00 0.00 C ATOM 1197 C GLN A 76 -5.092 -7.499 5.081 1.00 0.00 C ATOM 1198 O GLN A 76 -4.346 -8.296 5.640 1.00 0.00 O ATOM 1199 CB GLN A 76 -6.778 -6.135 6.283 1.00 0.00 C ATOM 1200 CG GLN A 76 -7.254 -4.799 6.815 1.00 0.00 C ATOM 1201 CD GLN A 76 -8.622 -4.890 7.457 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -8.986 -5.921 8.021 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -9.401 -3.843 7.352 1.00 0.00 N ATOM 0 H GLN A 76 -6.150 -4.715 4.369 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.634 -5.920 6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.478 -6.476 5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.809 -6.864 7.093 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.537 -4.425 7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.285 -4.076 6.000 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.067 -3.004 6.878 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.342 -3.866 7.745 1.00 0.00 H new ATOM 1212 N MET A 77 -5.676 -7.755 3.930 1.00 0.00 N ATOM 1213 CA MET A 77 -5.605 -9.062 3.297 1.00 0.00 C ATOM 1214 C MET A 77 -4.167 -9.408 2.888 1.00 0.00 C ATOM 1215 O MET A 77 -3.715 -10.544 3.073 1.00 0.00 O ATOM 1216 CB MET A 77 -6.537 -9.130 2.086 1.00 0.00 C ATOM 1217 CG MET A 77 -6.900 -10.550 1.689 1.00 0.00 C ATOM 1218 SD MET A 77 -7.889 -10.657 0.187 1.00 0.00 S ATOM 1219 CE MET A 77 -6.687 -10.198 -1.057 1.00 0.00 C ATOM 0 H MET A 77 -6.214 -7.066 3.404 1.00 0.00 H new ATOM 0 HA MET A 77 -5.933 -9.801 4.028 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.450 -8.577 2.307 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.060 -8.634 1.241 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.984 -11.124 1.551 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.448 -11.017 2.507 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.106 -9.423 -1.699 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.787 -9.821 -0.572 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.435 -11.071 -1.659 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.443 -8.424 2.364 1.00 0.00 N ATOM 1230 CA ALA A 78 -2.052 -8.631 1.961 1.00 0.00 C ATOM 1231 C ALA A 78 -1.189 -8.916 3.184 1.00 0.00 C ATOM 1232 O ALA A 78 -0.288 -9.760 3.147 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.524 -7.411 1.223 1.00 0.00 C ATOM 0 H ALA A 78 -3.792 -7.478 2.208 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.010 -9.489 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.488 -7.583 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.128 -7.235 0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.577 -6.540 1.876 1.00 0.00 H new ATOM 1353 N LYS A 86 -0.006 -10.788 -7.298 1.00 0.00 N ATOM 1354 CA LYS A 86 -0.900 -9.665 -7.426 1.00 0.00 C ATOM 1355 C LYS A 86 -2.334 -10.121 -7.573 1.00 0.00 C ATOM 1356 O LYS A 86 -2.652 -10.983 -8.429 1.00 0.00 O ATOM 1357 CB LYS A 86 -0.511 -8.838 -8.623 1.00 0.00 C ATOM 1358 CG LYS A 86 0.845 -8.181 -8.514 1.00 0.00 C ATOM 1359 CD LYS A 86 1.237 -7.450 -9.794 1.00 0.00 C ATOM 1360 CE LYS A 86 1.745 -8.383 -10.912 1.00 0.00 C ATOM 1361 NZ LYS A 86 0.741 -9.354 -11.442 1.00 0.00 N ATOM 0 HA LYS A 86 -0.821 -9.065 -6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.523 -9.474 -9.508 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.264 -8.065 -8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.839 -7.476 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.596 -8.937 -8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.375 -6.893 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.013 -6.720 -9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.104 -7.770 -11.739 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.601 -8.942 -10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.025 -9.662 -12.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.690 -10.180 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.192 -8.897 -11.490 1.00 0.00 H new ATOM 1375 N VAL A 87 -3.176 -9.570 -6.743 1.00 0.00 N ATOM 1376 CA VAL A 87 -4.572 -9.889 -6.719 1.00 0.00 C ATOM 1377 C VAL A 87 -5.189 -9.410 -8.014 1.00 0.00 C ATOM 1378 O VAL A 87 -5.167 -8.217 -8.326 1.00 0.00 O ATOM 1379 CB VAL A 87 -5.274 -9.238 -5.498 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -6.754 -9.586 -5.457 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -4.594 -9.665 -4.204 1.00 0.00 C ATOM 0 H VAL A 87 -2.903 -8.872 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.701 -10.967 -6.622 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.188 -8.156 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.215 -9.114 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.238 -9.227 -6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.872 -10.667 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.098 -9.200 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.646 -10.749 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.550 -9.352 -4.221 1.00 0.00 H new ATOM 1391 N SER A 88 -5.671 -10.344 -8.775 1.00 0.00 N ATOM 1392 CA SER A 88 -6.208 -10.085 -10.070 1.00 0.00 C ATOM 1393 C SER A 88 -7.622 -9.510 -9.976 1.00 0.00 C ATOM 1394 O SER A 88 -8.187 -9.402 -8.868 1.00 0.00 O ATOM 1395 CB SER A 88 -6.191 -11.381 -10.857 1.00 0.00 C ATOM 1396 OG SER A 88 -4.876 -11.938 -10.857 1.00 0.00 O ATOM 0 H SER A 88 -5.701 -11.327 -8.505 1.00 0.00 H new ATOM 0 HA SER A 88 -5.601 -9.338 -10.580 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.895 -12.090 -10.420 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.517 -11.198 -11.881 1.00 0.00 H new ATOM 0 HG SER A 88 -4.875 -12.775 -11.366 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.189 -9.168 -11.129 1.00 0.00 N ATOM 1403 CA GLU A 89 -9.521 -8.570 -11.234 1.00 0.00 C ATOM 1404 C GLU A 89 -10.560 -9.384 -10.472 1.00 0.00 C ATOM 1405 O GLU A 89 -11.298 -8.842 -9.651 1.00 0.00 O ATOM 1406 CB GLU A 89 -9.926 -8.461 -12.703 1.00 0.00 C ATOM 1407 CG GLU A 89 -8.999 -7.611 -13.533 1.00 0.00 C ATOM 1408 CD GLU A 89 -9.383 -7.589 -14.986 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -9.143 -8.596 -15.698 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -9.896 -6.571 -15.460 1.00 0.00 O ATOM 0 H GLU A 89 -7.732 -9.299 -12.031 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.479 -7.576 -10.789 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.967 -9.462 -13.133 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.933 -8.047 -12.762 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.000 -6.592 -13.145 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.981 -7.988 -13.435 1.00 0.00 H new ATOM 1417 N GLN A 90 -10.554 -10.690 -10.696 1.00 0.00 N ATOM 1418 CA GLN A 90 -11.494 -11.606 -10.060 1.00 0.00 C ATOM 1419 C GLN A 90 -11.318 -11.623 -8.530 1.00 0.00 C ATOM 1420 O GLN A 90 -12.276 -11.848 -7.799 1.00 0.00 O ATOM 1421 CB GLN A 90 -11.335 -13.024 -10.628 1.00 0.00 C ATOM 1422 CG GLN A 90 -10.007 -13.692 -10.285 1.00 0.00 C ATOM 1423 CD GLN A 90 -9.802 -15.030 -10.963 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -10.298 -15.181 -12.159 1.00 0.00 O flip ATOM 1425 NE2 GLN A 90 -9.153 -15.910 -10.412 1.00 0.00 N flip ATOM 0 H GLN A 90 -9.895 -11.147 -11.326 1.00 0.00 H new ATOM 0 HA GLN A 90 -12.500 -11.249 -10.279 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.148 -13.646 -10.254 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.438 -12.982 -11.712 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.192 -13.025 -10.566 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.949 -13.830 -9.205 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.780 -15.758 -9.475 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.986 -16.795 -10.890 1.00 0.00 H new ATOM 1434 N GLY A 91 -10.108 -11.344 -8.065 1.00 0.00 N ATOM 1435 CA GLY A 91 -9.831 -11.346 -6.646 1.00 0.00 C ATOM 1436 C GLY A 91 -10.384 -10.108 -5.993 1.00 0.00 C ATOM 1437 O GLY A 91 -10.941 -10.165 -4.892 1.00 0.00 O ATOM 0 H GLY A 91 -9.307 -11.114 -8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.269 -12.232 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.755 -11.400 -6.481 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.242 -8.985 -6.685 1.00 0.00 N ATOM 1442 CA LEU A 92 -10.778 -7.718 -6.223 1.00 0.00 C ATOM 1443 C LEU A 92 -12.294 -7.776 -6.230 1.00 0.00 C ATOM 1444 O LEU A 92 -12.943 -7.417 -5.255 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.309 -6.569 -7.119 1.00 0.00 C ATOM 1446 CG LEU A 92 -10.877 -5.184 -6.778 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.376 -4.692 -5.428 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.562 -4.190 -7.872 1.00 0.00 C ATOM 0 H LEU A 92 -9.753 -8.930 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.417 -7.539 -5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.221 -6.517 -7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.573 -6.806 -8.150 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.961 -5.278 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.798 -3.709 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.682 -5.391 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.288 -4.623 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.974 -3.216 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.481 -4.107 -7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.003 -4.529 -8.809 1.00 0.00 H new ATOM 1460 N ILE A 93 -12.843 -8.263 -7.336 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.282 -8.404 -7.514 1.00 0.00 C ATOM 1462 C ILE A 93 -14.869 -9.354 -6.463 1.00 0.00 C ATOM 1463 O ILE A 93 -15.997 -9.175 -6.001 1.00 0.00 O ATOM 1464 CB ILE A 93 -14.616 -8.894 -8.955 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.225 -7.812 -9.975 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.089 -9.270 -9.093 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -14.377 -8.234 -11.419 1.00 0.00 C ATOM 0 H ILE A 93 -12.298 -8.573 -8.140 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.739 -7.424 -7.377 1.00 0.00 H new ATOM 0 HB ILE A 93 -14.036 -9.795 -9.155 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -14.837 -6.927 -9.801 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.189 -7.522 -9.801 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -16.285 -9.607 -10.111 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -16.327 -10.071 -8.393 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -16.709 -8.401 -8.873 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.080 -7.413 -12.071 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -13.743 -9.099 -11.614 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -15.417 -8.495 -11.614 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.069 -10.313 -6.048 1.00 0.00 N ATOM 1480 CA GLU A 94 -14.465 -11.270 -5.048 1.00 0.00 C ATOM 1481 C GLU A 94 -14.759 -10.540 -3.735 1.00 0.00 C ATOM 1482 O GLU A 94 -15.826 -10.718 -3.135 1.00 0.00 O ATOM 1483 CB GLU A 94 -13.344 -12.291 -4.856 1.00 0.00 C ATOM 1484 CG GLU A 94 -13.691 -13.412 -3.923 1.00 0.00 C ATOM 1485 CD GLU A 94 -14.852 -14.210 -4.422 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -15.996 -13.844 -4.143 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -14.641 -15.206 -5.119 1.00 0.00 O ATOM 0 H GLU A 94 -13.121 -10.448 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 94 -15.367 -11.793 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.078 -12.709 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.460 -11.778 -4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.827 -14.065 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.925 -13.006 -2.939 1.00 0.00 H new ATOM 1494 N ILE A 95 -13.839 -9.672 -3.352 1.00 0.00 N ATOM 1495 CA ILE A 95 -13.962 -8.872 -2.143 1.00 0.00 C ATOM 1496 C ILE A 95 -15.074 -7.839 -2.329 1.00 0.00 C ATOM 1497 O ILE A 95 -15.908 -7.628 -1.437 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.627 -8.134 -1.845 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.484 -9.142 -1.690 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.750 -7.258 -0.605 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -10.113 -8.506 -1.643 1.00 0.00 C ATOM 0 H ILE A 95 -12.979 -9.500 -3.874 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.199 -9.531 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.401 -7.483 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.640 -9.716 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.519 -9.848 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.801 -6.754 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.532 -6.515 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.005 -7.878 0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.356 -9.282 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.936 -7.955 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.058 -7.822 -0.796 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.083 -7.239 -3.508 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.027 -6.204 -3.891 1.00 0.00 C ATOM 1515 C LEU A 96 -17.465 -6.658 -3.700 1.00 0.00 C ATOM 1516 O LEU A 96 -18.257 -5.944 -3.132 1.00 0.00 O ATOM 1517 CB LEU A 96 -15.800 -5.797 -5.349 1.00 0.00 C ATOM 1518 CG LEU A 96 -16.667 -4.655 -5.887 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.380 -3.350 -5.149 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -16.452 -4.494 -7.383 1.00 0.00 C ATOM 0 H LEU A 96 -14.415 -7.465 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 96 -15.857 -5.345 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -14.754 -5.513 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -15.964 -6.673 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.713 -4.906 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.010 -2.558 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.593 -3.478 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.332 -3.081 -5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.074 -3.679 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.404 -4.268 -7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -16.724 -5.419 -7.891 1.00 0.00 H new ATOM 1532 N LYS A 97 -17.779 -7.859 -4.150 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.136 -8.390 -4.035 1.00 0.00 C ATOM 1534 C LYS A 97 -19.593 -8.489 -2.579 1.00 0.00 C ATOM 1535 O LYS A 97 -20.712 -8.085 -2.240 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.248 -9.748 -4.724 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.056 -9.691 -6.235 1.00 0.00 C ATOM 1538 CD LYS A 97 -19.123 -11.070 -6.925 1.00 0.00 C ATOM 1539 CE LYS A 97 -17.929 -11.992 -6.606 1.00 0.00 C ATOM 1540 NZ LYS A 97 -17.955 -12.557 -5.235 1.00 0.00 N ATOM 0 H LYS A 97 -17.116 -8.490 -4.600 1.00 0.00 H new ATOM 0 HA LYS A 97 -19.799 -7.686 -4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.505 -10.423 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.227 -10.175 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -19.820 -9.043 -6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.091 -9.233 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.044 -11.570 -6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.176 -10.922 -8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.913 -12.811 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.004 -11.431 -6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -17.374 -13.419 -5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.574 -11.859 -4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.934 -12.790 -4.974 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.741 -9.006 -1.716 1.00 0.00 N ATOM 1555 CA LYS A 98 -19.115 -9.143 -0.324 1.00 0.00 C ATOM 1556 C LYS A 98 -19.183 -7.803 0.432 1.00 0.00 C ATOM 1557 O LYS A 98 -19.985 -7.640 1.356 1.00 0.00 O ATOM 1558 CB LYS A 98 -18.364 -10.295 0.403 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.838 -10.261 0.440 1.00 0.00 C ATOM 1560 CD LYS A 98 -16.307 -9.306 1.487 1.00 0.00 C ATOM 1561 CE LYS A 98 -14.811 -9.488 1.690 1.00 0.00 C ATOM 1562 NZ LYS A 98 -14.464 -10.860 2.153 1.00 0.00 N ATOM 0 H LYS A 98 -17.803 -9.332 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 98 -20.153 -9.477 -0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.720 -10.325 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.663 -11.233 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.460 -11.263 0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.460 -9.968 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.513 -8.279 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.827 -9.471 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.292 -9.281 0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.455 -8.760 2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.579 -10.829 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -15.229 -11.227 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.342 -11.484 1.330 1.00 0.00 H new ATOM 1576 N VAL A 99 -18.379 -6.820 0.022 1.00 0.00 N ATOM 1577 CA VAL A 99 -18.475 -5.494 0.639 1.00 0.00 C ATOM 1578 C VAL A 99 -19.614 -4.693 -0.011 1.00 0.00 C ATOM 1579 O VAL A 99 -20.093 -3.704 0.550 1.00 0.00 O ATOM 1580 CB VAL A 99 -17.152 -4.650 0.587 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.981 -5.366 1.242 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.802 -4.226 -0.822 1.00 0.00 C ATOM 0 H VAL A 99 -17.675 -6.909 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 99 -18.676 -5.679 1.694 1.00 0.00 H new ATOM 0 HB VAL A 99 -17.349 -3.748 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -15.091 -4.740 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -16.214 -5.562 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.798 -6.310 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.880 -3.645 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.665 -5.110 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.609 -3.617 -1.230 1.00 0.00 H new ATOM 1592 N SER A 100 -20.023 -5.124 -1.193 1.00 0.00 N ATOM 1593 CA SER A 100 -21.083 -4.488 -1.937 1.00 0.00 C ATOM 1594 C SER A 100 -22.388 -4.614 -1.169 1.00 0.00 C ATOM 1595 O SER A 100 -23.081 -3.618 -0.937 1.00 0.00 O ATOM 1596 CB SER A 100 -21.194 -5.110 -3.350 1.00 0.00 C ATOM 1597 OG SER A 100 -22.122 -4.426 -4.175 1.00 0.00 O ATOM 0 H SER A 100 -19.620 -5.935 -1.663 1.00 0.00 H new ATOM 0 HA SER A 100 -20.859 -3.429 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 100 -20.213 -5.099 -3.826 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.493 -6.154 -3.261 1.00 0.00 H new ATOM 0 HG SER A 100 -22.155 -4.855 -5.056 1.00 0.00 H new