USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=10 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 72 ASN : amide:sc= -0.0641 K(o=0.67,f=-0.13) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.736 K(o=0.67,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.26) USER MOD Single : A 50 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 80:sc= 0.312 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0.369 (180deg=0.22) USER MOD Single : A 67 THR OG1 : rot -27:sc= -4.45! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 153:sc= -0.566 (180deg=-1.01) USER MOD Single : A 86 LYS NZ :NH3+ -132:sc= 0.874 (180deg=-0.785) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.157 F(o=-0.68,f=-0.16) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= -0.461 (180deg=-0.461) USER MOD Single : A 100 SER OG : rot 78:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 32.799 37.635 10.372 1.00 0.00 N ATOM 22 CA ALA A 2 32.959 36.227 10.132 1.00 0.00 C ATOM 23 C ALA A 2 31.628 35.647 9.704 1.00 0.00 C ATOM 24 O ALA A 2 31.492 35.073 8.620 1.00 0.00 O ATOM 25 CB ALA A 2 33.479 35.526 11.378 1.00 0.00 C ATOM 0 HA ALA A 2 33.691 36.074 9.339 1.00 0.00 H new ATOM 0 HB1 ALA A 2 33.593 34.461 11.175 1.00 0.00 H new ATOM 0 HB2 ALA A 2 34.445 35.948 11.657 1.00 0.00 H new ATOM 0 HB3 ALA A 2 32.772 35.666 12.196 1.00 0.00 H new ATOM 31 N ASP A 3 30.640 35.869 10.523 1.00 0.00 N ATOM 32 CA ASP A 3 29.312 35.340 10.296 1.00 0.00 C ATOM 33 C ASP A 3 28.571 36.154 9.254 1.00 0.00 C ATOM 34 O ASP A 3 27.907 35.611 8.378 1.00 0.00 O ATOM 35 CB ASP A 3 28.535 35.318 11.603 1.00 0.00 C ATOM 36 CG ASP A 3 27.155 34.717 11.470 1.00 0.00 C ATOM 37 OD1 ASP A 3 27.047 33.495 11.228 1.00 0.00 O ATOM 38 OD2 ASP A 3 26.153 35.436 11.687 1.00 0.00 O ATOM 0 H ASP A 3 30.727 36.425 11.374 1.00 0.00 H new ATOM 0 HA ASP A 3 29.406 34.322 9.919 1.00 0.00 H new ATOM 0 HB2 ASP A 3 29.100 34.752 12.344 1.00 0.00 H new ATOM 0 HB3 ASP A 3 28.445 36.336 11.981 1.00 0.00 H new ATOM 43 N GLU A 4 28.733 37.459 9.322 1.00 0.00 N ATOM 44 CA GLU A 4 28.023 38.373 8.447 1.00 0.00 C ATOM 45 C GLU A 4 28.433 38.194 6.985 1.00 0.00 C ATOM 46 O GLU A 4 27.578 38.195 6.102 1.00 0.00 O ATOM 47 CB GLU A 4 28.188 39.847 8.869 1.00 0.00 C ATOM 48 CG GLU A 4 28.068 40.116 10.369 1.00 0.00 C ATOM 49 CD GLU A 4 29.383 39.967 11.113 1.00 0.00 C ATOM 50 OE1 GLU A 4 29.912 38.844 11.222 1.00 0.00 O ATOM 51 OE2 GLU A 4 29.910 40.988 11.593 1.00 0.00 O ATOM 0 H GLU A 4 29.359 37.917 9.984 1.00 0.00 H new ATOM 0 HA GLU A 4 26.968 38.118 8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 4 29.163 40.197 8.531 1.00 0.00 H new ATOM 0 HB3 GLU A 4 27.438 40.443 8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 4 27.685 41.125 10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 4 27.337 39.430 10.797 1.00 0.00 H new ATOM 58 N GLU A 5 29.734 38.022 6.725 1.00 0.00 N ATOM 59 CA GLU A 5 30.196 37.814 5.356 1.00 0.00 C ATOM 60 C GLU A 5 29.824 36.422 4.878 1.00 0.00 C ATOM 61 O GLU A 5 29.631 36.197 3.680 1.00 0.00 O ATOM 62 CB GLU A 5 31.701 38.087 5.187 1.00 0.00 C ATOM 63 CG GLU A 5 32.077 39.559 5.352 1.00 0.00 C ATOM 64 CD GLU A 5 33.575 39.833 5.271 1.00 0.00 C ATOM 65 OE1 GLU A 5 34.277 39.734 6.299 1.00 0.00 O ATOM 66 OE2 GLU A 5 34.077 40.166 4.190 1.00 0.00 O ATOM 0 H GLU A 5 30.470 38.023 7.432 1.00 0.00 H new ATOM 0 HA GLU A 5 29.686 38.545 4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 5 32.253 37.495 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 5 32.015 37.749 4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 5 31.570 40.141 4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 5 31.706 39.912 6.314 1.00 0.00 H new ATOM 73 N LEU A 6 29.705 35.489 5.821 1.00 0.00 N ATOM 74 CA LEU A 6 29.274 34.137 5.510 1.00 0.00 C ATOM 75 C LEU A 6 27.841 34.220 5.004 1.00 0.00 C ATOM 76 O LEU A 6 27.545 33.759 3.909 1.00 0.00 O ATOM 77 CB LEU A 6 29.410 33.226 6.769 1.00 0.00 C ATOM 78 CG LEU A 6 29.186 31.690 6.615 1.00 0.00 C ATOM 79 CD1 LEU A 6 29.668 30.977 7.864 1.00 0.00 C ATOM 80 CD2 LEU A 6 27.715 31.337 6.391 1.00 0.00 C ATOM 0 H LEU A 6 29.903 35.650 6.809 1.00 0.00 H new ATOM 0 HA LEU A 6 29.899 33.687 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 6 30.410 33.374 7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.704 33.589 7.516 1.00 0.00 H new ATOM 0 HG LEU A 6 29.751 31.370 5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 6 29.510 29.904 7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 6 30.730 31.175 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 6 29.110 31.339 8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 6 27.611 30.257 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 6 27.125 31.680 7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 6 27.359 31.822 5.482 1.00 0.00 H new ATOM 92 N GLU A 7 26.978 34.868 5.795 1.00 0.00 N ATOM 93 CA GLU A 7 25.580 35.100 5.429 1.00 0.00 C ATOM 94 C GLU A 7 25.471 35.819 4.097 1.00 0.00 C ATOM 95 O GLU A 7 24.662 35.447 3.260 1.00 0.00 O ATOM 96 CB GLU A 7 24.861 35.912 6.505 1.00 0.00 C ATOM 97 CG GLU A 7 24.579 35.155 7.788 1.00 0.00 C ATOM 98 CD GLU A 7 23.563 34.050 7.593 1.00 0.00 C ATOM 99 OE1 GLU A 7 22.330 34.338 7.639 1.00 0.00 O ATOM 100 OE2 GLU A 7 23.947 32.887 7.412 1.00 0.00 O ATOM 0 H GLU A 7 27.232 35.246 6.708 1.00 0.00 H new ATOM 0 HA GLU A 7 25.104 34.123 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 7 25.463 36.789 6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 7 23.917 36.274 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 7 25.508 34.729 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 7 24.215 35.850 8.545 1.00 0.00 H new ATOM 107 N ALA A 8 26.304 36.829 3.912 1.00 0.00 N ATOM 108 CA ALA A 8 26.331 37.619 2.687 1.00 0.00 C ATOM 109 C ALA A 8 26.540 36.734 1.466 1.00 0.00 C ATOM 110 O ALA A 8 25.701 36.700 0.566 1.00 0.00 O ATOM 111 CB ALA A 8 27.424 38.672 2.766 1.00 0.00 C ATOM 0 H ALA A 8 26.985 37.128 4.610 1.00 0.00 H new ATOM 0 HA ALA A 8 25.366 38.115 2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 8 27.434 39.256 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 8 27.233 39.332 3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 8 28.390 38.185 2.897 1.00 0.00 H new ATOM 117 N LEU A 9 27.623 35.976 1.476 1.00 0.00 N ATOM 118 CA LEU A 9 27.966 35.093 0.366 1.00 0.00 C ATOM 119 C LEU A 9 26.905 34.006 0.190 1.00 0.00 C ATOM 120 O LEU A 9 26.511 33.672 -0.936 1.00 0.00 O ATOM 121 CB LEU A 9 29.315 34.435 0.618 1.00 0.00 C ATOM 122 CG LEU A 9 29.846 33.572 -0.521 1.00 0.00 C ATOM 123 CD1 LEU A 9 30.234 34.433 -1.706 1.00 0.00 C ATOM 124 CD2 LEU A 9 31.004 32.718 -0.059 1.00 0.00 C ATOM 0 H LEU A 9 28.289 35.952 2.248 1.00 0.00 H new ATOM 0 HA LEU A 9 28.014 35.695 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 9 30.046 35.215 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 9 29.237 33.818 1.513 1.00 0.00 H new ATOM 0 HG LEU A 9 29.050 32.900 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 9 30.611 33.799 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 9 29.361 34.983 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 9 31.010 35.137 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 9 31.364 32.112 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 9 31.810 33.360 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 9 30.675 32.065 0.750 1.00 0.00 H new ATOM 136 N ARG A 10 26.450 33.478 1.312 1.00 0.00 N ATOM 137 CA ARG A 10 25.445 32.432 1.368 1.00 0.00 C ATOM 138 C ARG A 10 24.188 32.881 0.629 1.00 0.00 C ATOM 139 O ARG A 10 23.677 32.174 -0.222 1.00 0.00 O ATOM 140 CB ARG A 10 25.133 32.147 2.836 1.00 0.00 C ATOM 141 CG ARG A 10 24.200 30.991 3.118 1.00 0.00 C ATOM 142 CD ARG A 10 24.015 30.862 4.616 1.00 0.00 C ATOM 143 NE ARG A 10 23.193 29.716 4.999 1.00 0.00 N ATOM 144 CZ ARG A 10 22.816 29.455 6.257 1.00 0.00 C ATOM 145 NH1 ARG A 10 23.015 30.361 7.225 1.00 0.00 N ATOM 146 NH2 ARG A 10 22.201 28.303 6.543 1.00 0.00 N ATOM 0 H ARG A 10 26.777 33.772 2.232 1.00 0.00 H new ATOM 0 HA ARG A 10 25.813 31.525 0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 10 26.074 31.960 3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 10 24.702 33.047 3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 10 23.238 31.156 2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 10 24.610 30.068 2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 10 24.993 30.774 5.090 1.00 0.00 H new ATOM 0 HD3 ARG A 10 23.556 31.774 4.999 1.00 0.00 H new ATOM 0 HE ARG A 10 22.888 29.077 4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 10 23.455 31.254 7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.726 30.157 8.182 1.00 0.00 H new ATOM 0 HH21 ARG A 10 22.020 27.624 5.803 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.913 28.103 7.501 1.00 0.00 H new ATOM 160 N ARG A 11 23.742 34.085 0.921 1.00 0.00 N ATOM 161 CA ARG A 11 22.546 34.631 0.303 1.00 0.00 C ATOM 162 C ARG A 11 22.817 35.045 -1.124 1.00 0.00 C ATOM 163 O ARG A 11 21.958 34.892 -1.978 1.00 0.00 O ATOM 164 CB ARG A 11 22.019 35.801 1.104 1.00 0.00 C ATOM 165 CG ARG A 11 21.705 35.425 2.526 1.00 0.00 C ATOM 166 CD ARG A 11 21.365 36.624 3.357 1.00 0.00 C ATOM 167 NE ARG A 11 21.365 36.280 4.772 1.00 0.00 N ATOM 168 CZ ARG A 11 21.180 37.144 5.757 1.00 0.00 C ATOM 169 NH1 ARG A 11 20.759 38.372 5.494 1.00 0.00 N ATOM 170 NH2 ARG A 11 21.387 36.771 7.005 1.00 0.00 N ATOM 0 H ARG A 11 24.193 34.711 1.588 1.00 0.00 H new ATOM 0 HA ARG A 11 21.785 33.850 0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.756 36.604 1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.120 36.190 0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 11 20.870 34.724 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 11 22.561 34.911 2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 11 22.086 37.420 3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 11 20.386 37.007 3.070 1.00 0.00 H new ATOM 0 HE ARG A 11 21.519 35.303 5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 11 20.577 38.653 4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.617 39.036 6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 11 21.689 35.818 7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 11 21.245 37.435 7.766 1.00 0.00 H new ATOM 184 N GLN A 12 24.027 35.534 -1.379 1.00 0.00 N ATOM 185 CA GLN A 12 24.439 35.937 -2.718 1.00 0.00 C ATOM 186 C GLN A 12 24.299 34.775 -3.694 1.00 0.00 C ATOM 187 O GLN A 12 23.767 34.937 -4.799 1.00 0.00 O ATOM 188 CB GLN A 12 25.889 36.468 -2.712 1.00 0.00 C ATOM 189 CG GLN A 12 26.425 36.839 -4.093 1.00 0.00 C ATOM 190 CD GLN A 12 27.832 37.394 -4.061 1.00 0.00 C ATOM 191 OE1 GLN A 12 28.816 36.651 -4.140 1.00 0.00 O ATOM 192 NE2 GLN A 12 27.940 38.693 -3.993 1.00 0.00 N ATOM 0 H GLN A 12 24.746 35.661 -0.667 1.00 0.00 H new ATOM 0 HA GLN A 12 23.784 36.744 -3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 12 25.940 37.345 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 12 26.539 35.711 -2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 12 26.405 35.956 -4.732 1.00 0.00 H new ATOM 0 HG3 GLN A 12 25.762 37.576 -4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.103 39.272 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.862 39.129 -4.004 1.00 0.00 H new ATOM 201 N ARG A 13 24.747 33.612 -3.279 1.00 0.00 N ATOM 202 CA ARG A 13 24.658 32.444 -4.106 1.00 0.00 C ATOM 203 C ARG A 13 23.233 31.842 -4.065 1.00 0.00 C ATOM 204 O ARG A 13 22.639 31.536 -5.110 1.00 0.00 O ATOM 205 CB ARG A 13 25.699 31.404 -3.665 1.00 0.00 C ATOM 206 CG ARG A 13 25.835 30.211 -4.603 1.00 0.00 C ATOM 207 CD ARG A 13 26.322 30.658 -5.973 1.00 0.00 C ATOM 208 NE ARG A 13 26.452 29.546 -6.914 1.00 0.00 N ATOM 209 CZ ARG A 13 26.854 29.672 -8.184 1.00 0.00 C ATOM 210 NH1 ARG A 13 27.231 30.856 -8.651 1.00 0.00 N ATOM 211 NH2 ARG A 13 26.894 28.613 -8.977 1.00 0.00 N ATOM 0 H ARG A 13 25.178 33.456 -2.368 1.00 0.00 H new ATOM 0 HA ARG A 13 24.867 32.735 -5.135 1.00 0.00 H new ATOM 0 HB2 ARG A 13 26.669 31.894 -3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 13 25.434 31.041 -2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 13 26.533 29.488 -4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 13 24.874 29.707 -4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 13 25.628 31.394 -6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 13 27.287 31.154 -5.867 1.00 0.00 H new ATOM 0 HE ARG A 13 26.220 28.611 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 13 27.215 31.673 -8.041 1.00 0.00 H new ATOM 0 HH12 ARG A 13 27.537 30.948 -9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 13 26.618 27.698 -8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 13 27.201 28.712 -9.945 1.00 0.00 H new ATOM 225 N LEU A 14 22.678 31.715 -2.861 1.00 0.00 N ATOM 226 CA LEU A 14 21.377 31.067 -2.664 1.00 0.00 C ATOM 227 C LEU A 14 20.225 31.803 -3.350 1.00 0.00 C ATOM 228 O LEU A 14 19.292 31.172 -3.827 1.00 0.00 O ATOM 229 CB LEU A 14 21.071 30.876 -1.174 1.00 0.00 C ATOM 230 CG LEU A 14 19.751 30.177 -0.832 1.00 0.00 C ATOM 231 CD1 LEU A 14 19.716 28.771 -1.410 1.00 0.00 C ATOM 232 CD2 LEU A 14 19.546 30.144 0.668 1.00 0.00 C ATOM 0 H LEU A 14 23.110 32.054 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 14 21.458 30.090 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.885 30.304 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.072 31.856 -0.697 1.00 0.00 H new ATOM 0 HG LEU A 14 18.936 30.745 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.769 28.296 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.815 28.821 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.539 28.187 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.604 29.645 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.367 29.601 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.519 31.163 1.054 1.00 0.00 H new ATOM 656 N ILE A 43 1.377 -1.429 -1.694 1.00 0.00 N ATOM 657 CA ILE A 43 0.840 -2.739 -1.365 1.00 0.00 C ATOM 658 C ILE A 43 -0.308 -3.099 -2.293 1.00 0.00 C ATOM 659 O ILE A 43 -0.418 -4.242 -2.728 1.00 0.00 O ATOM 660 CB ILE A 43 0.459 -2.940 0.135 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.675 -1.999 0.588 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.696 -2.766 1.014 1.00 0.00 C ATOM 663 CD1 ILE A 43 -1.078 -2.176 2.035 1.00 0.00 C ATOM 0 HA ILE A 43 1.661 -3.437 -1.527 1.00 0.00 H new ATOM 0 HB ILE A 43 0.080 -3.956 0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.361 -0.967 0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.547 -2.166 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.422 -2.908 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.449 -3.503 0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.101 -1.763 0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.880 -1.479 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.424 -3.197 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.220 -1.979 2.678 1.00 0.00 H new ATOM 675 N LEU A 44 -1.130 -2.107 -2.633 1.00 0.00 N ATOM 676 CA LEU A 44 -2.228 -2.304 -3.564 1.00 0.00 C ATOM 677 C LEU A 44 -1.699 -2.703 -4.934 1.00 0.00 C ATOM 678 O LEU A 44 -2.244 -3.585 -5.565 1.00 0.00 O ATOM 679 CB LEU A 44 -3.112 -1.052 -3.683 1.00 0.00 C ATOM 680 CG LEU A 44 -3.878 -0.627 -2.421 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.658 0.651 -2.677 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.818 -1.733 -1.953 1.00 0.00 C ATOM 0 H LEU A 44 -1.051 -1.156 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.847 -3.110 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.482 -0.219 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.836 -1.221 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.149 -0.442 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.194 0.937 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.969 1.448 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.371 0.486 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.348 -1.406 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.538 -1.956 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.241 -2.629 -1.726 1.00 0.00 H new ATOM 694 N ALA A 45 -0.620 -2.068 -5.363 1.00 0.00 N ATOM 695 CA ALA A 45 0.001 -2.372 -6.653 1.00 0.00 C ATOM 696 C ALA A 45 0.654 -3.759 -6.675 1.00 0.00 C ATOM 697 O ALA A 45 0.869 -4.331 -7.733 1.00 0.00 O ATOM 698 CB ALA A 45 1.014 -1.303 -7.019 1.00 0.00 C ATOM 0 H ALA A 45 -0.149 -1.333 -4.836 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.795 -2.381 -7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.466 -1.544 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.515 -0.336 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.789 -1.259 -6.254 1.00 0.00 H new ATOM 704 N GLN A 46 0.985 -4.289 -5.511 1.00 0.00 N ATOM 705 CA GLN A 46 1.581 -5.615 -5.446 1.00 0.00 C ATOM 706 C GLN A 46 0.519 -6.695 -5.380 1.00 0.00 C ATOM 707 O GLN A 46 0.718 -7.809 -5.876 1.00 0.00 O ATOM 708 CB GLN A 46 2.549 -5.762 -4.264 1.00 0.00 C ATOM 709 CG GLN A 46 3.784 -4.875 -4.341 1.00 0.00 C ATOM 710 CD GLN A 46 4.561 -5.061 -5.630 1.00 0.00 C ATOM 711 OE1 GLN A 46 4.322 -4.364 -6.617 1.00 0.00 O ATOM 712 NE2 GLN A 46 5.477 -5.987 -5.638 1.00 0.00 N ATOM 0 H GLN A 46 0.855 -3.831 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 46 2.154 -5.738 -6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.013 -5.536 -3.342 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.868 -6.802 -4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.482 -3.831 -4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.435 -5.093 -3.495 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.646 -6.544 -4.801 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.025 -6.155 -6.482 1.00 0.00 H new ATOM 721 N VAL A 47 -0.599 -6.386 -4.761 1.00 0.00 N ATOM 722 CA VAL A 47 -1.655 -7.368 -4.620 1.00 0.00 C ATOM 723 C VAL A 47 -2.605 -7.343 -5.799 1.00 0.00 C ATOM 724 O VAL A 47 -3.078 -8.378 -6.227 1.00 0.00 O ATOM 725 CB VAL A 47 -2.410 -7.271 -3.263 1.00 0.00 C ATOM 726 CG1 VAL A 47 -1.439 -7.462 -2.115 1.00 0.00 C ATOM 727 CG2 VAL A 47 -3.143 -5.947 -3.113 1.00 0.00 C ATOM 0 H VAL A 47 -0.801 -5.474 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.162 -8.340 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.158 -8.064 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.976 -7.393 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.970 -8.443 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.672 -6.688 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.656 -5.922 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.427 -5.127 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.872 -5.842 -3.916 1.00 0.00 H new ATOM 737 N LEU A 48 -2.855 -6.184 -6.328 1.00 0.00 N ATOM 738 CA LEU A 48 -3.688 -6.056 -7.486 1.00 0.00 C ATOM 739 C LEU A 48 -2.780 -5.873 -8.649 1.00 0.00 C ATOM 740 O LEU A 48 -1.919 -4.994 -8.621 1.00 0.00 O ATOM 741 CB LEU A 48 -4.600 -4.825 -7.386 1.00 0.00 C ATOM 742 CG LEU A 48 -5.566 -4.753 -6.199 1.00 0.00 C ATOM 743 CD1 LEU A 48 -6.344 -3.452 -6.231 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.516 -5.928 -6.206 1.00 0.00 C ATOM 0 H LEU A 48 -2.489 -5.302 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.320 -6.939 -7.583 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.966 -3.939 -7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.188 -4.767 -8.302 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.980 -4.791 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.026 -3.415 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.651 -2.612 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.915 -3.392 -7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.192 -5.855 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.095 -5.922 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.948 -6.856 -6.140 1.00 0.00 H new ATOM 756 N ASP A 49 -2.926 -6.690 -9.651 1.00 0.00 N ATOM 757 CA ASP A 49 -2.097 -6.530 -10.827 1.00 0.00 C ATOM 758 C ASP A 49 -2.657 -5.368 -11.678 1.00 0.00 C ATOM 759 O ASP A 49 -3.645 -4.725 -11.281 1.00 0.00 O ATOM 760 CB ASP A 49 -1.974 -7.841 -11.626 1.00 0.00 C ATOM 761 CG ASP A 49 -0.800 -7.833 -12.595 1.00 0.00 C ATOM 762 OD1 ASP A 49 0.334 -8.134 -12.190 1.00 0.00 O ATOM 763 OD2 ASP A 49 -0.993 -7.513 -13.783 1.00 0.00 O ATOM 0 H ASP A 49 -3.594 -7.460 -9.687 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.081 -6.281 -10.521 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.861 -8.675 -10.933 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.896 -8.011 -12.181 1.00 0.00 H new ATOM 768 N GLN A 50 -2.086 -5.138 -12.832 1.00 0.00 N ATOM 769 CA GLN A 50 -2.350 -3.955 -13.641 1.00 0.00 C ATOM 770 C GLN A 50 -3.837 -3.741 -13.980 1.00 0.00 C ATOM 771 O GLN A 50 -4.336 -2.614 -13.893 1.00 0.00 O ATOM 772 CB GLN A 50 -1.493 -3.989 -14.907 1.00 0.00 C ATOM 773 CG GLN A 50 -1.550 -2.730 -15.767 1.00 0.00 C ATOM 774 CD GLN A 50 -0.998 -1.477 -15.081 1.00 0.00 C ATOM 775 OE1 GLN A 50 -1.070 -1.310 -13.867 1.00 0.00 O ATOM 776 NE2 GLN A 50 -0.434 -0.599 -15.859 1.00 0.00 N ATOM 0 H GLN A 50 -1.409 -5.775 -13.253 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.073 -3.095 -13.031 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.457 -4.166 -14.620 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.805 -4.839 -15.514 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.989 -2.905 -16.685 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.585 -2.547 -16.055 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.388 -0.763 -16.865 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.038 0.253 -15.463 1.00 0.00 H new ATOM 785 N SER A 51 -4.558 -4.797 -14.299 1.00 0.00 N ATOM 786 CA SER A 51 -5.941 -4.620 -14.688 1.00 0.00 C ATOM 787 C SER A 51 -6.820 -4.439 -13.456 1.00 0.00 C ATOM 788 O SER A 51 -7.796 -3.719 -13.490 1.00 0.00 O ATOM 789 CB SER A 51 -6.424 -5.778 -15.551 1.00 0.00 C ATOM 790 OG SER A 51 -5.519 -5.995 -16.627 1.00 0.00 O ATOM 0 H SER A 51 -4.222 -5.760 -14.297 1.00 0.00 H new ATOM 0 HA SER A 51 -6.014 -3.716 -15.292 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.507 -6.682 -14.947 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.419 -5.562 -15.940 1.00 0.00 H new ATOM 0 HG SER A 51 -5.836 -6.742 -17.176 1.00 0.00 H new ATOM 796 N ALA A 52 -6.432 -5.058 -12.360 1.00 0.00 N ATOM 797 CA ALA A 52 -7.161 -4.938 -11.118 1.00 0.00 C ATOM 798 C ALA A 52 -6.979 -3.537 -10.545 1.00 0.00 C ATOM 799 O ALA A 52 -7.897 -2.970 -9.962 1.00 0.00 O ATOM 800 CB ALA A 52 -6.722 -6.000 -10.136 1.00 0.00 C ATOM 0 H ALA A 52 -5.607 -5.655 -12.307 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.223 -5.093 -11.311 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.283 -5.892 -9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.909 -6.987 -10.560 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.657 -5.888 -9.931 1.00 0.00 H new ATOM 806 N ARG A 53 -5.797 -2.980 -10.734 1.00 0.00 N ATOM 807 CA ARG A 53 -5.520 -1.605 -10.338 1.00 0.00 C ATOM 808 C ARG A 53 -6.370 -0.646 -11.163 1.00 0.00 C ATOM 809 O ARG A 53 -6.966 0.288 -10.628 1.00 0.00 O ATOM 810 CB ARG A 53 -4.029 -1.294 -10.484 1.00 0.00 C ATOM 811 CG ARG A 53 -3.150 -2.061 -9.505 1.00 0.00 C ATOM 812 CD ARG A 53 -3.339 -1.559 -8.078 1.00 0.00 C ATOM 813 NE ARG A 53 -2.790 -0.207 -7.930 1.00 0.00 N ATOM 814 CZ ARG A 53 -3.312 0.812 -7.238 1.00 0.00 C ATOM 815 NH1 ARG A 53 -4.471 0.690 -6.601 1.00 0.00 N ATOM 816 NH2 ARG A 53 -2.662 1.960 -7.194 1.00 0.00 N ATOM 0 H ARG A 53 -5.006 -3.460 -11.162 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.782 -1.477 -9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.715 -1.527 -11.501 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.873 -0.225 -10.339 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.390 -3.123 -9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.104 -1.957 -9.794 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.399 -1.557 -7.825 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.846 -2.236 -7.380 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.909 -0.023 -8.410 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.980 -0.193 -6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.852 1.479 -6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.773 2.062 -7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.049 2.745 -6.670 1.00 0.00 H new ATOM 830 N ALA A 54 -6.463 -0.917 -12.456 1.00 0.00 N ATOM 831 CA ALA A 54 -7.292 -0.126 -13.350 1.00 0.00 C ATOM 832 C ALA A 54 -8.769 -0.284 -12.985 1.00 0.00 C ATOM 833 O ALA A 54 -9.532 0.683 -13.001 1.00 0.00 O ATOM 834 CB ALA A 54 -7.053 -0.539 -14.792 1.00 0.00 C ATOM 0 H ALA A 54 -5.970 -1.685 -12.911 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.020 0.924 -13.241 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.680 0.061 -15.451 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.005 -0.382 -15.046 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.302 -1.593 -14.915 1.00 0.00 H new ATOM 840 N ARG A 55 -9.149 -1.506 -12.626 1.00 0.00 N ATOM 841 CA ARG A 55 -10.503 -1.833 -12.234 1.00 0.00 C ATOM 842 C ARG A 55 -10.862 -1.098 -10.955 1.00 0.00 C ATOM 843 O ARG A 55 -12.000 -0.663 -10.774 1.00 0.00 O ATOM 844 CB ARG A 55 -10.635 -3.336 -12.003 1.00 0.00 C ATOM 845 CG ARG A 55 -12.059 -3.837 -12.024 1.00 0.00 C ATOM 846 CD ARG A 55 -12.617 -3.702 -13.423 1.00 0.00 C ATOM 847 NE ARG A 55 -13.992 -4.143 -13.557 1.00 0.00 N ATOM 848 CZ ARG A 55 -14.486 -4.679 -14.674 1.00 0.00 C ATOM 849 NH1 ARG A 55 -13.656 -5.110 -15.642 1.00 0.00 N ATOM 850 NH2 ARG A 55 -15.802 -4.825 -14.811 1.00 0.00 N ATOM 0 H ARG A 55 -8.512 -2.303 -12.601 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.180 -1.530 -13.033 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.064 -3.862 -12.768 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.187 -3.586 -11.042 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.095 -4.879 -11.705 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.667 -3.268 -11.321 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.550 -2.658 -13.730 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.994 -4.277 -14.108 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.614 -4.038 -12.755 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.646 -5.027 -15.522 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.037 -5.520 -16.495 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.429 -4.527 -14.063 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.184 -5.234 -15.664 1.00 0.00 H new ATOM 864 N LEU A 56 -9.881 -0.966 -10.075 1.00 0.00 N ATOM 865 CA LEU A 56 -10.058 -0.271 -8.829 1.00 0.00 C ATOM 866 C LEU A 56 -10.366 1.190 -9.095 1.00 0.00 C ATOM 867 O LEU A 56 -11.282 1.744 -8.514 1.00 0.00 O ATOM 868 CB LEU A 56 -8.817 -0.403 -7.933 1.00 0.00 C ATOM 869 CG LEU A 56 -8.928 0.250 -6.554 1.00 0.00 C ATOM 870 CD1 LEU A 56 -10.075 -0.361 -5.777 1.00 0.00 C ATOM 871 CD2 LEU A 56 -7.633 0.109 -5.782 1.00 0.00 C ATOM 0 H LEU A 56 -8.943 -1.341 -10.214 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.896 -0.725 -8.300 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.599 -1.462 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.965 0.033 -8.455 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.124 1.313 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.144 0.112 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.007 -0.206 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.902 -1.430 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.738 0.581 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.401 -0.948 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.826 0.592 -6.333 1.00 0.00 H new ATOM 883 N SER A 57 -9.616 1.785 -9.997 1.00 0.00 N ATOM 884 CA SER A 57 -9.827 3.161 -10.403 1.00 0.00 C ATOM 885 C SER A 57 -11.209 3.313 -11.057 1.00 0.00 C ATOM 886 O SER A 57 -11.949 4.265 -10.790 1.00 0.00 O ATOM 887 CB SER A 57 -8.736 3.539 -11.385 1.00 0.00 C ATOM 888 OG SER A 57 -7.452 3.288 -10.826 1.00 0.00 O ATOM 0 H SER A 57 -8.838 1.327 -10.473 1.00 0.00 H new ATOM 0 HA SER A 57 -9.790 3.818 -9.534 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.855 2.969 -12.307 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.825 4.593 -11.648 1.00 0.00 H new ATOM 0 HG SER A 57 -7.246 2.333 -10.896 1.00 0.00 H new ATOM 894 N ASN A 58 -11.535 2.351 -11.891 1.00 0.00 N ATOM 895 CA ASN A 58 -12.827 2.263 -12.570 1.00 0.00 C ATOM 896 C ASN A 58 -13.995 2.264 -11.571 1.00 0.00 C ATOM 897 O ASN A 58 -14.971 3.007 -11.742 1.00 0.00 O ATOM 898 CB ASN A 58 -12.862 1.001 -13.457 1.00 0.00 C ATOM 899 CG ASN A 58 -14.217 0.724 -14.082 1.00 0.00 C ATOM 900 OD1 ASN A 58 -15.052 0.016 -13.504 1.00 0.00 O ATOM 901 ND2 ASN A 58 -14.447 1.250 -15.253 1.00 0.00 N ATOM 0 H ASN A 58 -10.902 1.587 -12.127 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.945 3.146 -13.199 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.122 1.106 -14.250 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.567 0.140 -12.858 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.338 1.083 -15.721 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.736 1.829 -15.701 1.00 0.00 H new ATOM 908 N LEU A 59 -13.892 1.452 -10.524 1.00 0.00 N ATOM 909 CA LEU A 59 -14.930 1.394 -9.524 1.00 0.00 C ATOM 910 C LEU A 59 -14.906 2.613 -8.618 1.00 0.00 C ATOM 911 O LEU A 59 -15.945 3.083 -8.153 1.00 0.00 O ATOM 912 CB LEU A 59 -14.895 0.066 -8.740 1.00 0.00 C ATOM 913 CG LEU A 59 -13.648 -0.348 -7.961 1.00 0.00 C ATOM 914 CD1 LEU A 59 -13.657 0.268 -6.575 1.00 0.00 C ATOM 915 CD2 LEU A 59 -13.548 -1.861 -7.875 1.00 0.00 C ATOM 0 H LEU A 59 -13.101 0.831 -10.354 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.888 1.417 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -15.722 0.090 -8.031 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -15.108 -0.732 -9.451 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.772 0.021 -8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.761 -0.038 -6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.676 1.355 -6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.540 -0.069 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.653 -2.135 -7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -14.428 -2.256 -7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.491 -2.280 -8.880 1.00 0.00 H new ATOM 927 N ALA A 60 -13.723 3.113 -8.391 1.00 0.00 N ATOM 928 CA ALA A 60 -13.497 4.320 -7.590 1.00 0.00 C ATOM 929 C ALA A 60 -14.206 5.523 -8.175 1.00 0.00 C ATOM 930 O ALA A 60 -14.753 6.351 -7.444 1.00 0.00 O ATOM 931 CB ALA A 60 -12.010 4.626 -7.479 1.00 0.00 C ATOM 0 H ALA A 60 -12.865 2.699 -8.756 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.905 4.121 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.867 5.526 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.501 3.788 -7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.596 4.783 -8.475 1.00 0.00 H new ATOM 937 N LEU A 61 -14.198 5.616 -9.489 1.00 0.00 N ATOM 938 CA LEU A 61 -14.791 6.734 -10.170 1.00 0.00 C ATOM 939 C LEU A 61 -16.314 6.690 -10.108 1.00 0.00 C ATOM 940 O LEU A 61 -16.974 7.727 -10.173 1.00 0.00 O ATOM 941 CB LEU A 61 -14.322 6.791 -11.607 1.00 0.00 C ATOM 942 CG LEU A 61 -14.656 8.077 -12.386 1.00 0.00 C ATOM 943 CD1 LEU A 61 -13.961 9.276 -11.762 1.00 0.00 C ATOM 944 CD2 LEU A 61 -14.267 7.945 -13.846 1.00 0.00 C ATOM 0 H LEU A 61 -13.781 4.919 -10.107 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.466 7.639 -9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.241 6.655 -11.619 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.755 5.946 -12.142 1.00 0.00 H new ATOM 0 HG LEU A 61 -15.734 8.231 -12.332 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.209 10.175 -12.326 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.292 9.392 -10.730 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -12.882 9.122 -11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.514 8.867 -14.373 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.196 7.759 -13.922 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.812 7.114 -14.294 1.00 0.00 H new ATOM 956 N VAL A 62 -16.879 5.505 -9.977 1.00 0.00 N ATOM 957 CA VAL A 62 -18.322 5.389 -9.913 1.00 0.00 C ATOM 958 C VAL A 62 -18.842 5.394 -8.473 1.00 0.00 C ATOM 959 O VAL A 62 -19.783 6.130 -8.155 1.00 0.00 O ATOM 960 CB VAL A 62 -18.902 4.189 -10.735 1.00 0.00 C ATOM 961 CG1 VAL A 62 -18.606 4.364 -12.213 1.00 0.00 C ATOM 962 CG2 VAL A 62 -18.359 2.853 -10.257 1.00 0.00 C ATOM 0 H VAL A 62 -16.371 4.623 -9.914 1.00 0.00 H new ATOM 0 HA VAL A 62 -18.698 6.288 -10.402 1.00 0.00 H new ATOM 0 HB VAL A 62 -19.981 4.186 -10.578 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.016 3.521 -12.769 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.061 5.289 -12.568 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -17.528 4.408 -12.365 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.789 2.050 -10.856 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.274 2.843 -10.362 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.624 2.706 -9.210 1.00 0.00 H new ATOM 972 N LYS A 63 -18.225 4.620 -7.594 1.00 0.00 N ATOM 973 CA LYS A 63 -18.662 4.551 -6.202 1.00 0.00 C ATOM 974 C LYS A 63 -17.461 4.475 -5.282 1.00 0.00 C ATOM 975 O LYS A 63 -17.018 3.369 -4.923 1.00 0.00 O ATOM 976 CB LYS A 63 -19.563 3.333 -5.939 1.00 0.00 C ATOM 977 CG LYS A 63 -20.828 3.272 -6.785 1.00 0.00 C ATOM 978 CD LYS A 63 -21.637 2.015 -6.514 1.00 0.00 C ATOM 979 CE LYS A 63 -20.830 0.759 -6.806 1.00 0.00 C ATOM 980 NZ LYS A 63 -21.642 -0.457 -6.661 1.00 0.00 N ATOM 0 H LYS A 63 -17.422 4.031 -7.815 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.238 5.455 -6.003 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -18.983 2.427 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -19.847 3.331 -4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.442 4.149 -6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.560 3.309 -7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -21.961 2.007 -5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -22.538 2.021 -7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -20.431 0.811 -7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -19.977 0.709 -6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -21.057 -1.292 -6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -22.002 -0.520 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -22.442 -0.421 -7.325 1.00 0.00 H new ATOM 994 N PRO A 64 -16.912 5.632 -4.869 1.00 0.00 N ATOM 995 CA PRO A 64 -15.729 5.683 -4.007 1.00 0.00 C ATOM 996 C PRO A 64 -15.998 5.143 -2.598 1.00 0.00 C ATOM 997 O PRO A 64 -15.060 4.909 -1.814 1.00 0.00 O ATOM 998 CB PRO A 64 -15.362 7.166 -3.962 1.00 0.00 C ATOM 999 CG PRO A 64 -16.618 7.884 -4.298 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.385 6.990 -5.227 1.00 0.00 C ATOM 0 HA PRO A 64 -14.928 5.054 -4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.996 7.452 -2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.572 7.399 -4.676 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.196 8.096 -3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.402 8.842 -4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.461 7.091 -5.084 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.179 7.225 -6.271 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.275 4.929 -2.292 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.704 4.383 -1.018 1.00 0.00 C ATOM 1010 C GLU A 65 -17.220 2.966 -0.909 1.00 0.00 C ATOM 1011 O GLU A 65 -16.647 2.560 0.104 1.00 0.00 O ATOM 1012 CB GLU A 65 -19.243 4.376 -0.878 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.932 5.736 -0.862 1.00 0.00 C ATOM 1014 CD GLU A 65 -19.739 6.516 -2.127 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -20.055 5.988 -3.209 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -19.234 7.656 -2.058 1.00 0.00 O ATOM 0 H GLU A 65 -18.044 5.133 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 65 -17.288 5.013 -0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.658 3.793 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -19.499 3.853 0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -20.999 5.592 -0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -19.551 6.318 -0.023 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.412 2.225 -1.981 1.00 0.00 N ATOM 1024 CA LYS A 66 -17.058 0.827 -2.010 1.00 0.00 C ATOM 1025 C LYS A 66 -15.572 0.670 -2.196 1.00 0.00 C ATOM 1026 O LYS A 66 -14.986 -0.319 -1.750 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.848 0.051 -3.077 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.375 0.253 -3.011 1.00 0.00 C ATOM 1029 CD LYS A 66 -19.951 0.087 -1.592 1.00 0.00 C ATOM 1030 CE LYS A 66 -19.696 -1.290 -0.995 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.224 -1.385 0.388 1.00 0.00 N ATOM 0 H LYS A 66 -17.815 2.575 -2.850 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.333 0.393 -1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.496 0.353 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.629 -1.012 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.619 1.249 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.858 -0.461 -3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.516 0.844 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.025 0.270 -1.620 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.165 -2.051 -1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.625 -1.495 -0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.947 -2.297 0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.835 -0.610 0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.261 -1.314 0.369 1.00 0.00 H new ATOM 1045 N THR A 67 -14.963 1.643 -2.866 1.00 0.00 N ATOM 1046 CA THR A 67 -13.537 1.658 -3.072 1.00 0.00 C ATOM 1047 C THR A 67 -12.815 1.661 -1.726 1.00 0.00 C ATOM 1048 O THR A 67 -11.838 0.940 -1.544 1.00 0.00 O ATOM 1049 CB THR A 67 -13.141 2.906 -3.826 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.144 3.169 -4.809 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.812 2.688 -4.526 1.00 0.00 C ATOM 0 H THR A 67 -15.452 2.438 -3.277 1.00 0.00 H new ATOM 0 HA THR A 67 -13.260 0.771 -3.642 1.00 0.00 H new ATOM 0 HB THR A 67 -13.047 3.743 -3.134 1.00 0.00 H new ATOM 0 HG1 THR A 67 -14.579 2.329 -5.066 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.533 3.592 -5.067 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.045 2.457 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.902 1.858 -5.227 1.00 0.00 H new ATOM 1059 N LYS A 68 -13.340 2.454 -0.774 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.767 2.524 0.563 1.00 0.00 C ATOM 1061 C LYS A 68 -12.747 1.150 1.190 1.00 0.00 C ATOM 1062 O LYS A 68 -11.733 0.727 1.703 1.00 0.00 O ATOM 1063 CB LYS A 68 -13.545 3.488 1.479 1.00 0.00 C ATOM 1064 CG LYS A 68 -13.548 4.940 1.029 1.00 0.00 C ATOM 1065 CD LYS A 68 -14.228 5.861 2.049 1.00 0.00 C ATOM 1066 CE LYS A 68 -15.703 5.518 2.269 1.00 0.00 C ATOM 1067 NZ LYS A 68 -16.351 6.405 3.270 1.00 0.00 N ATOM 0 H LYS A 68 -14.156 3.049 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.751 2.905 0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.577 3.144 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.120 3.435 2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.522 5.271 0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.061 5.021 0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.699 5.795 3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.147 6.894 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.236 5.595 1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.787 4.482 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.348 6.131 3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.862 6.313 4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.297 7.392 2.946 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.865 0.447 1.076 1.00 0.00 N ATOM 1082 CA ALA A 69 -14.017 -0.877 1.650 1.00 0.00 C ATOM 1083 C ALA A 69 -13.052 -1.880 1.032 1.00 0.00 C ATOM 1084 O ALA A 69 -12.380 -2.617 1.756 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.444 -1.355 1.502 1.00 0.00 C ATOM 0 H ALA A 69 -14.692 0.782 0.582 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.775 -0.804 2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.542 -2.349 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.114 -0.666 2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.707 -1.394 0.445 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.962 -1.902 -0.300 1.00 0.00 N ATOM 1092 CA VAL A 70 -12.060 -2.841 -0.950 1.00 0.00 C ATOM 1093 C VAL A 70 -10.601 -2.536 -0.635 1.00 0.00 C ATOM 1094 O VAL A 70 -9.851 -3.444 -0.299 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.284 -3.029 -2.490 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.642 -3.632 -2.767 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -12.139 -1.733 -3.247 1.00 0.00 C ATOM 0 H VAL A 70 -13.488 -1.297 -0.930 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.319 -3.805 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.509 -3.711 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.774 -3.753 -3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.714 -4.605 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.419 -2.974 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.303 -1.912 -4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.874 -1.015 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.136 -1.334 -3.097 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.211 -1.254 -0.676 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.840 -0.882 -0.343 1.00 0.00 C ATOM 1109 C GLU A 71 -8.544 -1.266 1.097 1.00 0.00 C ATOM 1110 O GLU A 71 -7.529 -1.896 1.383 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.578 0.616 -0.536 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.696 1.118 -1.963 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.263 2.561 -2.091 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -8.692 3.411 -1.263 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -7.489 2.882 -3.005 1.00 0.00 O ATOM 0 H GLU A 71 -10.817 -0.474 -0.932 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.181 -1.421 -1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.278 1.173 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.576 0.843 -0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.086 0.496 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.728 1.018 -2.299 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.479 -0.935 1.980 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.393 -1.214 3.399 1.00 0.00 C ATOM 1124 C ASN A 72 -9.203 -2.707 3.645 1.00 0.00 C ATOM 1125 O ASN A 72 -8.411 -3.113 4.504 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.681 -0.727 4.079 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.670 -0.809 5.579 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -11.061 -1.810 6.167 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -10.269 0.253 6.210 1.00 0.00 N ATOM 0 H ASN A 72 -10.338 -0.453 1.717 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.532 -0.692 3.817 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.861 0.308 3.787 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.518 -1.315 3.703 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.273 0.272 7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.950 1.068 5.686 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.902 -3.520 2.878 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.814 -4.952 3.023 1.00 0.00 C ATOM 1138 C TYR A 73 -8.492 -5.483 2.461 1.00 0.00 C ATOM 1139 O TYR A 73 -7.828 -6.300 3.110 1.00 0.00 O ATOM 1140 CB TYR A 73 -11.017 -5.655 2.380 1.00 0.00 C ATOM 1141 CG TYR A 73 -11.105 -7.126 2.729 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -11.129 -7.522 4.055 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -11.177 -8.110 1.747 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -11.220 -8.841 4.405 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -11.269 -9.454 2.088 1.00 0.00 C ATOM 1146 CZ TYR A 73 -11.289 -9.810 3.433 1.00 0.00 C ATOM 1147 OH TYR A 73 -11.399 -11.137 3.816 1.00 0.00 O ATOM 0 H TYR A 73 -10.539 -3.207 2.146 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.836 -5.178 4.089 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.933 -5.157 2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.956 -5.548 1.297 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -11.075 -6.773 4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -11.161 -7.825 0.705 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.238 -9.122 5.448 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.324 -10.211 1.320 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.439 -11.705 3.019 1.00 0.00 H new ATOM 1157 N LEU A 74 -8.102 -5.010 1.272 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.835 -5.428 0.659 1.00 0.00 C ATOM 1159 C LEU A 74 -5.645 -5.080 1.532 1.00 0.00 C ATOM 1160 O LEU A 74 -4.761 -5.901 1.703 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.625 -4.869 -0.763 1.00 0.00 C ATOM 1162 CG LEU A 74 -7.228 -5.653 -1.964 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.590 -7.024 -2.100 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.736 -5.790 -1.869 1.00 0.00 C ATOM 0 H LEU A 74 -8.640 -4.343 0.718 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.907 -6.512 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.035 -3.859 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.551 -4.781 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.005 -5.067 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.031 -7.548 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.518 -6.912 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.762 -7.597 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.106 -6.345 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.996 -6.324 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.191 -4.800 -1.852 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.643 -3.871 2.097 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.567 -3.427 2.995 1.00 0.00 C ATOM 1178 C ILE A 75 -4.410 -4.403 4.174 1.00 0.00 C ATOM 1179 O ILE A 75 -3.303 -4.855 4.476 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.825 -1.982 3.531 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -4.781 -0.963 2.373 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.821 -1.603 4.627 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.080 0.464 2.786 1.00 0.00 C ATOM 0 H ILE A 75 -6.376 -3.177 1.950 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.644 -3.413 2.416 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.820 -1.962 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.794 -0.996 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.499 -1.266 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.029 -0.592 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.910 -2.301 5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.809 -1.646 4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.028 1.114 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.079 0.516 3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.348 0.790 3.525 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.532 -4.769 4.784 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.537 -5.689 5.920 1.00 0.00 C ATOM 1197 C GLN A 76 -5.044 -7.063 5.506 1.00 0.00 C ATOM 1198 O GLN A 76 -4.127 -7.610 6.112 1.00 0.00 O ATOM 1199 CB GLN A 76 -6.938 -5.818 6.506 1.00 0.00 C ATOM 1200 CG GLN A 76 -7.453 -4.574 7.189 1.00 0.00 C ATOM 1201 CD GLN A 76 -8.902 -4.716 7.585 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -9.228 -5.178 8.676 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -9.780 -4.321 6.709 1.00 0.00 N ATOM 0 H GLN A 76 -6.458 -4.440 4.509 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.866 -5.279 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.628 -6.089 5.707 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.943 -6.639 7.224 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.852 -4.369 8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.340 -3.719 6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.472 -3.943 5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.776 -4.390 6.918 1.00 0.00 H new ATOM 1212 N MET A 77 -5.628 -7.586 4.449 1.00 0.00 N ATOM 1213 CA MET A 77 -5.325 -8.919 3.959 1.00 0.00 C ATOM 1214 C MET A 77 -3.861 -9.014 3.482 1.00 0.00 C ATOM 1215 O MET A 77 -3.183 -10.041 3.686 1.00 0.00 O ATOM 1216 CB MET A 77 -6.327 -9.298 2.858 1.00 0.00 C ATOM 1217 CG MET A 77 -6.177 -10.702 2.300 1.00 0.00 C ATOM 1218 SD MET A 77 -7.543 -11.186 1.209 1.00 0.00 S ATOM 1219 CE MET A 77 -7.520 -9.867 -0.002 1.00 0.00 C ATOM 0 H MET A 77 -6.333 -7.096 3.899 1.00 0.00 H new ATOM 0 HA MET A 77 -5.429 -9.638 4.771 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.336 -9.188 3.255 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.228 -8.586 2.038 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.239 -10.769 1.749 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.112 -11.410 3.126 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.925 -10.233 -0.946 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.127 -9.035 0.355 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.495 -9.530 -0.153 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.362 -7.936 2.877 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.964 -7.858 2.466 1.00 0.00 C ATOM 1231 C ALA A 78 -1.058 -7.807 3.690 1.00 0.00 C ATOM 1232 O ALA A 78 -0.007 -8.457 3.730 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.720 -6.641 1.585 1.00 0.00 C ATOM 0 H ALA A 78 -3.909 -7.103 2.661 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.731 -8.751 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.670 -6.608 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.343 -6.707 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.972 -5.736 2.137 1.00 0.00 H new ATOM 1353 N LYS A 86 -0.946 -12.276 -7.718 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.743 -11.096 -7.821 1.00 0.00 C ATOM 1355 C LYS A 86 -3.207 -11.448 -7.883 1.00 0.00 C ATOM 1356 O LYS A 86 -3.578 -12.597 -8.142 1.00 0.00 O ATOM 1357 CB LYS A 86 -1.385 -10.253 -9.044 1.00 0.00 C ATOM 1358 CG LYS A 86 -0.014 -9.577 -9.042 1.00 0.00 C ATOM 1359 CD LYS A 86 1.113 -10.545 -9.330 1.00 0.00 C ATOM 1360 CE LYS A 86 2.441 -9.825 -9.432 1.00 0.00 C ATOM 1361 NZ LYS A 86 2.432 -8.784 -10.488 1.00 0.00 N ATOM 0 HA LYS A 86 -1.535 -10.506 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.447 -10.891 -9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.144 -9.479 -9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.004 -8.782 -9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.154 -9.108 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.163 -11.295 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.911 -11.075 -10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.678 -9.365 -8.473 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.229 -10.548 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.282 -8.882 -11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.584 -8.896 -11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.424 -7.842 -10.047 1.00 0.00 H new ATOM 1375 N VAL A 87 -4.019 -10.480 -7.620 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.436 -10.601 -7.725 1.00 0.00 C ATOM 1377 C VAL A 87 -5.845 -9.985 -9.056 1.00 0.00 C ATOM 1378 O VAL A 87 -5.369 -8.899 -9.416 1.00 0.00 O ATOM 1379 CB VAL A 87 -6.150 -9.860 -6.554 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.658 -10.007 -6.640 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.652 -10.362 -5.207 1.00 0.00 C ATOM 0 H VAL A 87 -3.708 -9.557 -7.318 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.726 -11.650 -7.671 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.906 -8.802 -6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.123 -9.478 -5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.012 -9.586 -7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.924 -11.063 -6.593 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.166 -9.829 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.854 -11.430 -5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.579 -10.188 -5.128 1.00 0.00 H new ATOM 1391 N SER A 88 -6.660 -10.688 -9.785 1.00 0.00 N ATOM 1392 CA SER A 88 -7.128 -10.249 -11.069 1.00 0.00 C ATOM 1393 C SER A 88 -8.428 -9.425 -10.895 1.00 0.00 C ATOM 1394 O SER A 88 -8.933 -9.287 -9.762 1.00 0.00 O ATOM 1395 CB SER A 88 -7.370 -11.489 -11.931 1.00 0.00 C ATOM 1396 OG SER A 88 -6.204 -12.318 -11.971 1.00 0.00 O ATOM 0 H SER A 88 -7.025 -11.597 -9.501 1.00 0.00 H new ATOM 0 HA SER A 88 -6.392 -9.608 -11.555 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.211 -12.056 -11.532 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.641 -11.187 -12.943 1.00 0.00 H new ATOM 0 HG SER A 88 -6.382 -13.106 -12.526 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.976 -8.904 -11.999 1.00 0.00 N ATOM 1403 CA GLU A 89 -10.188 -8.079 -11.965 1.00 0.00 C ATOM 1404 C GLU A 89 -11.351 -8.822 -11.317 1.00 0.00 C ATOM 1405 O GLU A 89 -12.000 -8.302 -10.417 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.585 -7.625 -13.368 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.626 -6.666 -14.020 1.00 0.00 C ATOM 1408 CD GLU A 89 -10.111 -6.225 -15.376 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -10.956 -5.320 -15.452 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -9.675 -6.795 -16.397 1.00 0.00 O ATOM 0 H GLU A 89 -8.594 -9.041 -12.935 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.959 -7.201 -11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.685 -8.505 -14.004 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.567 -7.155 -13.317 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.493 -5.794 -13.380 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.650 -7.140 -14.120 1.00 0.00 H new ATOM 1417 N GLN A 90 -11.572 -10.050 -11.749 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.639 -10.895 -11.215 1.00 0.00 C ATOM 1419 C GLN A 90 -12.445 -11.160 -9.725 1.00 0.00 C ATOM 1420 O GLN A 90 -13.415 -11.231 -8.973 1.00 0.00 O ATOM 1421 CB GLN A 90 -12.720 -12.211 -11.976 1.00 0.00 C ATOM 1422 CG GLN A 90 -13.195 -12.092 -13.419 1.00 0.00 C ATOM 1423 CD GLN A 90 -14.628 -11.620 -13.519 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -14.826 -10.341 -13.684 1.00 0.00 O flip ATOM 1425 NE2 GLN A 90 -15.556 -12.426 -13.499 1.00 0.00 N flip ATOM 0 H GLN A 90 -11.019 -10.496 -12.481 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.578 -10.357 -11.345 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.735 -12.678 -11.971 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.393 -12.882 -11.442 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.549 -11.397 -13.955 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.099 -13.060 -13.911 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -15.366 -13.420 -13.368 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -16.516 -12.101 -13.613 1.00 0.00 H new ATOM 1434 N GLY A 91 -11.190 -11.265 -9.306 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.881 -11.490 -7.906 1.00 0.00 C ATOM 1436 C GLY A 91 -11.236 -10.279 -7.063 1.00 0.00 C ATOM 1437 O GLY A 91 -11.774 -10.408 -5.962 1.00 0.00 O ATOM 0 H GLY A 91 -10.375 -11.198 -9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.429 -12.360 -7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.820 -11.714 -7.797 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.956 -9.099 -7.597 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.292 -7.854 -6.926 1.00 0.00 C ATOM 1443 C LEU A 92 -12.810 -7.701 -6.863 1.00 0.00 C ATOM 1444 O LEU A 92 -13.361 -7.251 -5.868 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.657 -6.659 -7.656 1.00 0.00 C ATOM 1446 CG LEU A 92 -10.930 -5.266 -7.060 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.374 -5.150 -5.647 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.351 -4.184 -7.955 1.00 0.00 C ATOM 0 H LEU A 92 -10.494 -8.979 -8.498 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.895 -7.878 -5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.578 -6.812 -7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.009 -6.664 -8.688 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.010 -5.130 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.583 -4.155 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.844 -5.898 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.297 -5.314 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.553 -3.205 -7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.274 -4.326 -8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.810 -4.244 -8.942 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.472 -8.115 -7.927 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.923 -8.075 -8.009 1.00 0.00 C ATOM 1462 C ILE A 93 -15.550 -9.070 -7.006 1.00 0.00 C ATOM 1463 O ILE A 93 -16.596 -8.796 -6.420 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.410 -8.342 -9.472 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.887 -7.224 -10.398 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.936 -8.427 -9.547 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -15.124 -7.462 -11.877 1.00 0.00 C ATOM 0 H ILE A 93 -13.020 -8.489 -8.761 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.257 -7.074 -7.736 1.00 0.00 H new ATOM 0 HB ILE A 93 -15.013 -9.303 -9.799 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.362 -6.285 -10.115 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.817 -7.103 -10.230 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -17.240 -8.613 -10.577 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -17.287 -9.241 -8.913 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.370 -7.487 -9.205 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.723 -6.625 -12.449 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.625 -8.382 -12.182 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -16.194 -7.550 -12.064 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.867 -10.185 -6.777 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.301 -11.207 -5.821 1.00 0.00 C ATOM 1481 C GLU A 94 -15.315 -10.561 -4.407 1.00 0.00 C ATOM 1482 O GLU A 94 -16.274 -10.723 -3.630 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.314 -12.405 -5.926 1.00 0.00 C ATOM 1484 CG GLU A 94 -14.794 -13.770 -5.410 1.00 0.00 C ATOM 1485 CD GLU A 94 -14.905 -13.885 -3.917 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -13.874 -14.133 -3.248 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -16.027 -13.772 -3.379 1.00 0.00 O ATOM 0 H GLU A 94 -13.992 -10.411 -7.249 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.304 -11.580 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -14.037 -12.521 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.406 -12.141 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -15.769 -13.984 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.108 -14.538 -5.768 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.281 -9.773 -4.126 1.00 0.00 N ATOM 1495 CA ILE A 95 -14.180 -9.006 -2.879 1.00 0.00 C ATOM 1496 C ILE A 95 -15.235 -7.879 -2.864 1.00 0.00 C ATOM 1497 O ILE A 95 -15.916 -7.656 -1.855 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.746 -8.404 -2.708 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.717 -9.527 -2.528 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.690 -7.436 -1.523 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -10.277 -9.073 -2.609 1.00 0.00 C ATOM 0 H ILE A 95 -13.487 -9.645 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.368 -9.682 -2.045 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.505 -7.844 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.882 -10.003 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.889 -10.287 -3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.681 -7.034 -1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.393 -6.619 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.956 -7.965 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.617 -9.930 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.091 -8.625 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.083 -8.337 -1.829 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.391 -7.214 -4.004 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.350 -6.122 -4.183 1.00 0.00 C ATOM 1515 C LEU A 96 -17.773 -6.582 -3.821 1.00 0.00 C ATOM 1516 O LEU A 96 -18.546 -5.833 -3.216 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.302 -5.617 -5.633 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.145 -4.385 -5.970 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.648 -3.159 -5.212 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.137 -4.129 -7.469 1.00 0.00 C ATOM 0 H LEU A 96 -14.849 -7.419 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.078 -5.305 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.264 -5.394 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.617 -6.431 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.171 -4.580 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.264 -2.298 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.712 -3.343 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.612 -2.958 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.741 -3.249 -7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.114 -3.960 -7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.551 -4.994 -7.988 1.00 0.00 H new ATOM 1532 N LYS A 97 -18.095 -7.816 -4.182 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.376 -8.423 -3.847 1.00 0.00 C ATOM 1534 C LYS A 97 -19.567 -8.471 -2.329 1.00 0.00 C ATOM 1535 O LYS A 97 -20.535 -7.928 -1.800 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.459 -9.853 -4.413 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.467 -9.981 -5.944 1.00 0.00 C ATOM 1538 CD LYS A 97 -20.872 -9.921 -6.568 1.00 0.00 C ATOM 1539 CE LYS A 97 -21.602 -8.600 -6.349 1.00 0.00 C ATOM 1540 NZ LYS A 97 -22.909 -8.598 -7.033 1.00 0.00 N ATOM 0 H LYS A 97 -17.475 -8.425 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 97 -20.163 -7.813 -4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.614 -10.423 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.364 -10.322 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.857 -9.183 -6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.997 -10.924 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.789 -10.103 -7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -21.475 -10.729 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -21.746 -8.433 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -20.992 -7.777 -6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -23.386 -7.688 -6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -22.767 -8.735 -8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -23.498 -9.370 -6.659 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.599 -9.048 -1.631 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.720 -9.239 -0.192 1.00 0.00 C ATOM 1556 C LYS A 98 -18.657 -7.939 0.609 1.00 0.00 C ATOM 1557 O LYS A 98 -19.287 -7.842 1.666 1.00 0.00 O ATOM 1558 CB LYS A 98 -17.762 -10.320 0.367 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.308 -10.206 -0.084 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.366 -11.150 0.686 1.00 0.00 C ATOM 1561 CE LYS A 98 -15.809 -12.617 0.651 1.00 0.00 C ATOM 1562 NZ LYS A 98 -15.831 -13.179 -0.710 1.00 0.00 N ATOM 0 H LYS A 98 -17.727 -9.390 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.730 -9.625 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -17.791 -10.278 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.139 -11.300 0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.245 -10.428 -1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.971 -9.178 0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.363 -11.071 0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.304 -10.822 1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.136 -13.209 1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.804 -12.701 1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -16.138 -14.172 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.493 -12.635 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.878 -13.127 -1.122 1.00 0.00 H new ATOM 1576 N VAL A 99 -17.939 -6.933 0.113 1.00 0.00 N ATOM 1577 CA VAL A 99 -17.882 -5.643 0.820 1.00 0.00 C ATOM 1578 C VAL A 99 -19.168 -4.842 0.613 1.00 0.00 C ATOM 1579 O VAL A 99 -19.485 -3.938 1.383 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.655 -4.763 0.451 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.347 -5.469 0.755 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.703 -4.310 -0.992 1.00 0.00 C ATOM 0 H VAL A 99 -17.400 -6.976 -0.752 1.00 0.00 H new ATOM 0 HA VAL A 99 -17.771 -5.906 1.872 1.00 0.00 H new ATOM 0 HB VAL A 99 -16.705 -3.873 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.513 -4.822 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.296 -5.699 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.291 -6.394 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.828 -3.698 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.709 -5.181 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.607 -3.724 -1.160 1.00 0.00 H new ATOM 1592 N SER A 100 -19.893 -5.157 -0.439 1.00 0.00 N ATOM 1593 CA SER A 100 -21.160 -4.529 -0.685 1.00 0.00 C ATOM 1594 C SER A 100 -22.217 -5.158 0.214 1.00 0.00 C ATOM 1595 O SER A 100 -23.235 -4.549 0.535 1.00 0.00 O ATOM 1596 CB SER A 100 -21.511 -4.647 -2.153 1.00 0.00 C ATOM 1597 OG SER A 100 -20.499 -4.032 -2.955 1.00 0.00 O ATOM 0 H SER A 100 -19.619 -5.849 -1.137 1.00 0.00 H new ATOM 0 HA SER A 100 -21.111 -3.466 -0.447 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.613 -5.697 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.474 -4.173 -2.343 1.00 0.00 H new ATOM 0 HG SER A 100 -19.728 -4.632 -3.026 1.00 0.00 H new