USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 732 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 20 SER OG : rot -14:sc= 0.592! USER MOD Set 1.2: A 22 THR OG1 : rot -33:sc= 0.371 USER MOD Set 1.3: A 64 GLN :FLIP amide:sc= 0.357 F(o=-1.1,f=1.3) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.105 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -19:sc= 0.644 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0979 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 16 SER OG : rot -51:sc= 0.523 USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.337 (180deg=-1.26) USER MOD Single : A 26 LYS NZ :NH3+ -123:sc= -0.0168 (180deg=-0.723) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -8.66! C(o=-8.7!,f=-8.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 101:sc= 1.47 USER MOD Single : A 41 GLN : amide:sc= -0.986 X(o=-0.99,f=-1.1) USER MOD Single : A 46 HIS : no HE2:sc= -0.657 X(o=-0.66,f=-1) USER MOD Single : A 49 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.6!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.09) USER MOD Single : A 59 ASN : amide:sc=-0.00645 X(o=-0.0065,f=-0.0065) USER MOD Single : A 60 GLN :FLIP amide:sc= 0.00593 F(o=-2.2!,f=0.0059) USER MOD Single : A 62 GLN : amide:sc= -3.67! C(o=-3.7!,f=-10!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.486 K(o=-0.49,f=-2.5!) USER MOD Single : A 74 THR OG1 : rot -157:sc= 0.959 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 16:sc= 0.0321 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.277 -40.784 0.451 1.00 0.00 N ATOM 2 CA GLY A 1 -5.311 -41.204 1.449 1.00 0.00 C ATOM 3 C GLY A 1 -5.905 -41.257 2.842 1.00 0.00 C ATOM 4 O GLY A 1 -7.042 -40.837 3.058 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.426 -41.553 -0.233 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.179 -40.555 0.916 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.920 -39.943 -0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.924 -42.188 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.465 -40.517 1.444 1.00 0.00 H new ATOM 8 N SER A 2 -5.135 -41.778 3.792 1.00 0.00 N ATOM 9 CA SER A 2 -5.593 -41.891 5.172 1.00 0.00 C ATOM 10 C SER A 2 -4.676 -41.119 6.115 1.00 0.00 C ATOM 11 O SER A 2 -3.691 -41.657 6.620 1.00 0.00 O ATOM 12 CB SER A 2 -5.655 -43.361 5.593 1.00 0.00 C ATOM 13 OG SER A 2 -6.900 -43.940 5.243 1.00 0.00 O ATOM 0 H SER A 2 -4.191 -42.129 3.631 1.00 0.00 H new ATOM 0 HA SER A 2 -6.593 -41.460 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.846 -43.914 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.503 -43.441 6.669 1.00 0.00 H new ATOM 0 HG SER A 2 -6.914 -44.880 5.521 1.00 0.00 H new ATOM 19 N SER A 3 -5.006 -39.852 6.346 1.00 0.00 N ATOM 20 CA SER A 3 -4.210 -39.003 7.225 1.00 0.00 C ATOM 21 C SER A 3 -5.029 -37.813 7.717 1.00 0.00 C ATOM 22 O SER A 3 -6.011 -37.418 7.090 1.00 0.00 O ATOM 23 CB SER A 3 -2.960 -38.508 6.495 1.00 0.00 C ATOM 24 OG SER A 3 -2.185 -39.595 6.018 1.00 0.00 O ATOM 0 H SER A 3 -5.819 -39.391 5.937 1.00 0.00 H new ATOM 0 HA SER A 3 -3.908 -39.597 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.251 -37.870 5.660 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.359 -37.897 7.169 1.00 0.00 H new ATOM 0 HG SER A 3 -2.431 -40.410 6.503 1.00 0.00 H new ATOM 30 N GLY A 4 -4.616 -37.246 8.847 1.00 0.00 N ATOM 31 CA GLY A 4 -5.322 -36.107 9.406 1.00 0.00 C ATOM 32 C GLY A 4 -4.458 -35.300 10.355 1.00 0.00 C ATOM 33 O GLY A 4 -4.462 -35.539 11.564 1.00 0.00 O ATOM 0 H GLY A 4 -3.806 -37.555 9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.666 -35.464 8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.209 -36.457 9.935 1.00 0.00 H new ATOM 37 N SER A 5 -3.716 -34.343 9.810 1.00 0.00 N ATOM 38 CA SER A 5 -2.839 -33.502 10.616 1.00 0.00 C ATOM 39 C SER A 5 -2.470 -32.225 9.866 1.00 0.00 C ATOM 40 O SER A 5 -1.931 -32.276 8.760 1.00 0.00 O ATOM 41 CB SER A 5 -1.572 -34.267 10.997 1.00 0.00 C ATOM 42 OG SER A 5 -0.827 -33.565 11.978 1.00 0.00 O ATOM 0 H SER A 5 -3.704 -34.130 8.813 1.00 0.00 H new ATOM 0 HA SER A 5 -3.375 -33.227 11.524 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.839 -35.253 11.376 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.957 -34.422 10.111 1.00 0.00 H new ATOM 0 HG SER A 5 -0.022 -34.076 12.206 1.00 0.00 H new ATOM 48 N SER A 6 -2.765 -31.082 10.476 1.00 0.00 N ATOM 49 CA SER A 6 -2.467 -29.791 9.865 1.00 0.00 C ATOM 50 C SER A 6 -1.199 -29.188 10.461 1.00 0.00 C ATOM 51 O SER A 6 -0.330 -28.703 9.738 1.00 0.00 O ATOM 52 CB SER A 6 -3.642 -28.831 10.056 1.00 0.00 C ATOM 53 OG SER A 6 -3.846 -28.541 11.428 1.00 0.00 O ATOM 0 H SER A 6 -3.210 -31.023 11.392 1.00 0.00 H new ATOM 0 HA SER A 6 -2.306 -29.949 8.799 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.453 -27.907 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.547 -29.270 9.636 1.00 0.00 H new ATOM 0 HG SER A 6 -4.601 -27.924 11.523 1.00 0.00 H new ATOM 59 N GLY A 7 -1.102 -29.219 11.787 1.00 0.00 N ATOM 60 CA GLY A 7 0.062 -28.672 12.459 1.00 0.00 C ATOM 61 C GLY A 7 -0.171 -27.264 12.967 1.00 0.00 C ATOM 62 O GLY A 7 -1.313 -26.821 13.085 1.00 0.00 O ATOM 0 H GLY A 7 -1.809 -29.613 12.408 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.331 -29.317 13.295 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.908 -28.672 11.772 1.00 0.00 H new ATOM 66 N GLU A 8 0.915 -26.559 13.271 1.00 0.00 N ATOM 67 CA GLU A 8 0.822 -25.193 13.772 1.00 0.00 C ATOM 68 C GLU A 8 1.038 -24.185 12.647 1.00 0.00 C ATOM 69 O GLU A 8 1.681 -24.488 11.643 1.00 0.00 O ATOM 70 CB GLU A 8 1.849 -24.962 14.882 1.00 0.00 C ATOM 71 CG GLU A 8 1.444 -25.558 16.220 1.00 0.00 C ATOM 72 CD GLU A 8 1.559 -27.070 16.244 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.675 -27.575 16.490 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.535 -27.747 16.017 1.00 0.00 O ATOM 0 H GLU A 8 1.868 -26.911 13.179 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.179 -25.050 14.178 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.804 -25.391 14.577 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.005 -23.890 15.004 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.071 -25.137 17.006 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.417 -25.272 16.445 1.00 0.00 H new ATOM 81 N GLN A 9 0.495 -22.985 12.824 1.00 0.00 N ATOM 82 CA GLN A 9 0.627 -21.932 11.824 1.00 0.00 C ATOM 83 C GLN A 9 0.723 -20.561 12.485 1.00 0.00 C ATOM 84 O GLN A 9 -0.207 -20.121 13.160 1.00 0.00 O ATOM 85 CB GLN A 9 -0.560 -21.964 10.859 1.00 0.00 C ATOM 86 CG GLN A 9 -0.678 -23.265 10.083 1.00 0.00 C ATOM 87 CD GLN A 9 -1.736 -23.204 8.999 1.00 0.00 C ATOM 88 OE1 GLN A 9 -2.795 -22.602 9.181 1.00 0.00 O ATOM 89 NE2 GLN A 9 -1.454 -23.826 7.860 1.00 0.00 N ATOM 0 H GLN A 9 -0.040 -22.718 13.650 1.00 0.00 H new ATOM 0 HA GLN A 9 1.546 -22.110 11.265 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.479 -21.802 11.422 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.467 -21.138 10.154 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.285 -23.503 9.632 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.916 -24.075 10.773 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.564 -24.313 7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.127 -23.817 7.094 1.00 0.00 H new ATOM 98 N GLU A 10 1.854 -19.892 12.286 1.00 0.00 N ATOM 99 CA GLU A 10 2.072 -18.571 12.865 1.00 0.00 C ATOM 100 C GLU A 10 1.429 -17.487 12.004 1.00 0.00 C ATOM 101 O GLU A 10 2.089 -16.871 11.167 1.00 0.00 O ATOM 102 CB GLU A 10 3.569 -18.296 13.016 1.00 0.00 C ATOM 103 CG GLU A 10 3.886 -17.172 13.988 1.00 0.00 C ATOM 104 CD GLU A 10 4.001 -17.655 15.420 1.00 0.00 C ATOM 105 OE1 GLU A 10 2.954 -17.787 16.088 1.00 0.00 O ATOM 106 OE2 GLU A 10 5.138 -17.900 15.875 1.00 0.00 O ATOM 0 H GLU A 10 2.633 -20.242 11.729 1.00 0.00 H new ATOM 0 HA GLU A 10 1.606 -18.553 13.850 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.065 -19.207 13.352 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.985 -18.049 12.039 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.821 -16.695 13.693 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.107 -16.412 13.926 1.00 0.00 H new ATOM 113 N ASP A 11 0.137 -17.261 12.216 1.00 0.00 N ATOM 114 CA ASP A 11 -0.596 -16.251 11.460 1.00 0.00 C ATOM 115 C ASP A 11 -0.629 -14.925 12.214 1.00 0.00 C ATOM 116 O ASP A 11 -0.295 -13.877 11.661 1.00 0.00 O ATOM 117 CB ASP A 11 -2.021 -16.729 11.180 1.00 0.00 C ATOM 118 CG ASP A 11 -2.825 -16.930 12.450 1.00 0.00 C ATOM 119 OD1 ASP A 11 -2.289 -17.538 13.400 1.00 0.00 O ATOM 120 OD2 ASP A 11 -3.988 -16.480 12.494 1.00 0.00 O ATOM 0 H ASP A 11 -0.424 -17.763 12.904 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.080 -16.096 10.512 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.527 -16.002 10.545 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.984 -17.666 10.625 1.00 0.00 H new ATOM 125 N ARG A 12 -1.034 -14.980 13.479 1.00 0.00 N ATOM 126 CA ARG A 12 -1.113 -13.783 14.308 1.00 0.00 C ATOM 127 C ARG A 12 0.053 -12.842 14.017 1.00 0.00 C ATOM 128 O ARG A 12 -0.102 -11.622 14.034 1.00 0.00 O ATOM 129 CB ARG A 12 -1.119 -14.163 15.790 1.00 0.00 C ATOM 130 CG ARG A 12 0.071 -15.011 16.205 1.00 0.00 C ATOM 131 CD ARG A 12 -0.089 -15.539 17.623 1.00 0.00 C ATOM 132 NE ARG A 12 0.192 -14.514 18.624 1.00 0.00 N ATOM 133 CZ ARG A 12 1.398 -13.991 18.822 1.00 0.00 C ATOM 134 NH1 ARG A 12 2.428 -14.395 18.091 1.00 0.00 N ATOM 135 NH2 ARG A 12 1.575 -13.062 19.753 1.00 0.00 N ATOM 0 H ARG A 12 -1.312 -15.840 13.952 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.042 -13.266 14.069 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.133 -13.253 16.390 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.037 -14.706 16.014 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.182 -15.847 15.515 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.983 -14.418 16.137 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.105 -15.910 17.759 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.582 -16.385 17.773 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.579 -14.181 19.203 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.296 -15.109 17.374 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.352 -13.992 18.245 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.785 -12.749 20.317 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.501 -12.661 19.904 1.00 0.00 H new ATOM 149 N ALA A 13 1.220 -13.420 13.752 1.00 0.00 N ATOM 150 CA ALA A 13 2.412 -12.635 13.457 1.00 0.00 C ATOM 151 C ALA A 13 2.385 -12.113 12.023 1.00 0.00 C ATOM 152 O ALA A 13 2.568 -10.920 11.783 1.00 0.00 O ATOM 153 CB ALA A 13 3.664 -13.465 13.694 1.00 0.00 C ATOM 0 H ALA A 13 1.365 -14.429 13.736 1.00 0.00 H new ATOM 0 HA ALA A 13 2.426 -11.777 14.129 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.546 -12.865 13.469 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.697 -13.784 14.736 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.647 -14.342 13.047 1.00 0.00 H new ATOM 159 N LEU A 14 2.156 -13.015 11.076 1.00 0.00 N ATOM 160 CA LEU A 14 2.106 -12.646 9.665 1.00 0.00 C ATOM 161 C LEU A 14 1.133 -11.493 9.438 1.00 0.00 C ATOM 162 O LEU A 14 1.470 -10.502 8.790 1.00 0.00 O ATOM 163 CB LEU A 14 1.693 -13.851 8.817 1.00 0.00 C ATOM 164 CG LEU A 14 2.746 -14.947 8.651 1.00 0.00 C ATOM 165 CD1 LEU A 14 2.106 -16.230 8.144 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.848 -14.489 7.707 1.00 0.00 C ATOM 0 H LEU A 14 2.002 -14.007 11.259 1.00 0.00 H new ATOM 0 HA LEU A 14 3.102 -12.321 9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.802 -14.295 9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.410 -13.493 7.827 1.00 0.00 H new ATOM 0 HG LEU A 14 3.190 -15.148 9.626 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.871 -16.999 8.032 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.354 -16.568 8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.634 -16.045 7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.589 -15.282 7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.419 -14.260 6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.326 -13.597 8.112 1.00 0.00 H new ATOM 178 N ARG A 15 -0.073 -11.629 9.977 1.00 0.00 N ATOM 179 CA ARG A 15 -1.095 -10.598 9.835 1.00 0.00 C ATOM 180 C ARG A 15 -0.626 -9.280 10.445 1.00 0.00 C ATOM 181 O ARG A 15 -1.023 -8.203 10.001 1.00 0.00 O ATOM 182 CB ARG A 15 -2.398 -11.045 10.501 1.00 0.00 C ATOM 183 CG ARG A 15 -2.295 -11.184 12.011 1.00 0.00 C ATOM 184 CD ARG A 15 -3.658 -11.420 12.642 1.00 0.00 C ATOM 185 NE ARG A 15 -4.343 -10.167 12.946 1.00 0.00 N ATOM 186 CZ ARG A 15 -5.623 -10.096 13.298 1.00 0.00 C ATOM 187 NH1 ARG A 15 -6.350 -11.200 13.389 1.00 0.00 N ATOM 188 NH2 ARG A 15 -6.177 -8.919 13.559 1.00 0.00 N ATOM 0 H ARG A 15 -0.367 -12.443 10.516 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.273 -10.443 8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.182 -10.326 10.264 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.703 -12.002 10.077 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.631 -12.012 12.257 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.849 -10.282 12.431 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.273 -12.015 11.966 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.539 -12.000 13.557 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.811 -9.299 12.885 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.928 -12.107 13.189 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.332 -11.143 13.659 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.621 -8.067 13.490 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.159 -8.866 13.829 1.00 0.00 H new ATOM 202 N SER A 16 0.221 -9.374 11.465 1.00 0.00 N ATOM 203 CA SER A 16 0.740 -8.191 12.140 1.00 0.00 C ATOM 204 C SER A 16 1.983 -7.661 11.427 1.00 0.00 C ATOM 205 O SER A 16 2.913 -7.168 12.063 1.00 0.00 O ATOM 206 CB SER A 16 1.073 -8.512 13.597 1.00 0.00 C ATOM 207 OG SER A 16 1.382 -7.335 14.322 1.00 0.00 O ATOM 0 H SER A 16 0.562 -10.258 11.842 1.00 0.00 H new ATOM 0 HA SER A 16 -0.031 -7.421 12.113 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.228 -9.018 14.063 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.918 -9.200 13.637 1.00 0.00 H new ATOM 0 HG SER A 16 2.064 -6.823 13.839 1.00 0.00 H new ATOM 213 N PHE A 17 1.987 -7.767 10.102 1.00 0.00 N ATOM 214 CA PHE A 17 3.114 -7.301 9.303 1.00 0.00 C ATOM 215 C PHE A 17 2.857 -5.894 8.772 1.00 0.00 C ATOM 216 O PHE A 17 1.889 -5.656 8.050 1.00 0.00 O ATOM 217 CB PHE A 17 3.371 -8.260 8.138 1.00 0.00 C ATOM 218 CG PHE A 17 4.110 -7.627 6.994 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.441 -6.845 6.066 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.475 -7.814 6.847 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.119 -6.263 5.013 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.159 -7.234 5.794 1.00 0.00 C ATOM 223 CZ PHE A 17 5.480 -6.456 4.877 1.00 0.00 C ATOM 0 H PHE A 17 1.223 -8.171 9.560 1.00 0.00 H new ATOM 0 HA PHE A 17 3.996 -7.274 9.943 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.942 -9.115 8.500 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.417 -8.644 7.776 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.377 -6.689 6.167 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.011 -8.420 7.563 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.585 -5.657 4.296 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.223 -7.389 5.689 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.012 -5.999 4.055 1.00 0.00 H new ATOM 233 N LYS A 18 3.734 -4.963 9.134 1.00 0.00 N ATOM 234 CA LYS A 18 3.606 -3.579 8.695 1.00 0.00 C ATOM 235 C LYS A 18 4.675 -3.233 7.664 1.00 0.00 C ATOM 236 O LYS A 18 5.871 -3.369 7.925 1.00 0.00 O ATOM 237 CB LYS A 18 3.712 -2.631 9.892 1.00 0.00 C ATOM 238 CG LYS A 18 3.102 -1.263 9.640 1.00 0.00 C ATOM 239 CD LYS A 18 3.672 -0.216 10.583 1.00 0.00 C ATOM 240 CE LYS A 18 4.912 0.444 10.000 1.00 0.00 C ATOM 241 NZ LYS A 18 6.133 -0.380 10.220 1.00 0.00 N ATOM 0 H LYS A 18 4.541 -5.143 9.731 1.00 0.00 H new ATOM 0 HA LYS A 18 2.627 -3.461 8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.219 -3.087 10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.762 -2.508 10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.289 -0.965 8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.021 -1.317 9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.916 0.543 10.786 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.921 -0.681 11.537 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.770 0.605 8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.049 1.425 10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.971 0.236 10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.058 -0.875 11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.224 -1.077 9.454 1.00 0.00 H new ATOM 255 N LEU A 19 4.237 -2.785 6.493 1.00 0.00 N ATOM 256 CA LEU A 19 5.157 -2.419 5.421 1.00 0.00 C ATOM 257 C LEU A 19 5.142 -0.913 5.182 1.00 0.00 C ATOM 258 O LEU A 19 4.143 -0.242 5.444 1.00 0.00 O ATOM 259 CB LEU A 19 4.790 -3.156 4.131 1.00 0.00 C ATOM 260 CG LEU A 19 5.485 -2.671 2.860 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.901 -3.223 2.782 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.685 -3.072 1.629 1.00 0.00 C ATOM 0 H LEU A 19 3.251 -2.666 6.261 1.00 0.00 H new ATOM 0 HA LEU A 19 6.163 -2.711 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.017 -4.214 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.713 -3.077 3.985 1.00 0.00 H new ATOM 0 HG LEU A 19 5.543 -1.583 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.381 -2.867 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.471 -2.886 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.867 -4.312 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.195 -2.718 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.595 -4.158 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.691 -2.628 1.680 1.00 0.00 H new ATOM 274 N SER A 20 6.255 -0.386 4.680 1.00 0.00 N ATOM 275 CA SER A 20 6.370 1.041 4.406 1.00 0.00 C ATOM 276 C SER A 20 6.770 1.285 2.954 1.00 0.00 C ATOM 277 O SER A 20 7.854 0.890 2.522 1.00 0.00 O ATOM 278 CB SER A 20 7.395 1.680 5.345 1.00 0.00 C ATOM 279 OG SER A 20 8.694 1.651 4.777 1.00 0.00 O ATOM 0 H SER A 20 7.090 -0.927 4.455 1.00 0.00 H new ATOM 0 HA SER A 20 5.396 1.499 4.577 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.109 2.711 5.554 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.399 1.151 6.298 1.00 0.00 H new ATOM 0 HG SER A 20 8.705 1.031 4.018 1.00 0.00 H new ATOM 285 N VAL A 21 5.888 1.939 2.205 1.00 0.00 N ATOM 286 CA VAL A 21 6.149 2.237 0.803 1.00 0.00 C ATOM 287 C VAL A 21 6.597 3.683 0.622 1.00 0.00 C ATOM 288 O VAL A 21 5.869 4.618 0.959 1.00 0.00 O ATOM 289 CB VAL A 21 4.901 1.986 -0.065 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.285 1.874 -1.533 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.172 0.736 0.400 1.00 0.00 C ATOM 0 H VAL A 21 4.986 2.272 2.546 1.00 0.00 H new ATOM 0 HA VAL A 21 6.948 1.569 0.481 1.00 0.00 H new ATOM 0 HB VAL A 21 4.226 2.835 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.391 1.697 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.760 2.800 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.980 1.045 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.293 0.574 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.837 -0.124 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.862 0.860 1.438 1.00 0.00 H new ATOM 301 N THR A 22 7.802 3.862 0.088 1.00 0.00 N ATOM 302 CA THR A 22 8.349 5.194 -0.136 1.00 0.00 C ATOM 303 C THR A 22 7.790 5.809 -1.415 1.00 0.00 C ATOM 304 O THR A 22 8.093 5.356 -2.518 1.00 0.00 O ATOM 305 CB THR A 22 9.886 5.163 -0.225 1.00 0.00 C ATOM 306 OG1 THR A 22 10.423 4.414 0.871 1.00 0.00 O ATOM 307 CG2 THR A 22 10.457 6.572 -0.212 1.00 0.00 C ATOM 0 H THR A 22 8.417 3.100 -0.197 1.00 0.00 H new ATOM 0 HA THR A 22 8.054 5.804 0.718 1.00 0.00 H new ATOM 0 HB THR A 22 10.165 4.685 -1.164 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.851 4.530 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.544 6.525 -0.276 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.068 7.130 -1.063 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.169 7.073 0.712 1.00 0.00 H new ATOM 315 N VAL A 23 6.973 6.845 -1.259 1.00 0.00 N ATOM 316 CA VAL A 23 6.373 7.525 -2.401 1.00 0.00 C ATOM 317 C VAL A 23 5.926 8.934 -2.030 1.00 0.00 C ATOM 318 O VAL A 23 5.128 9.121 -1.111 1.00 0.00 O ATOM 319 CB VAL A 23 5.164 6.742 -2.949 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.450 7.545 -4.025 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.605 5.389 -3.486 1.00 0.00 C ATOM 0 H VAL A 23 6.711 7.232 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 23 7.140 7.582 -3.173 1.00 0.00 H new ATOM 0 HB VAL A 23 4.463 6.572 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.599 6.976 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.099 8.487 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.139 7.749 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.739 4.850 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.327 5.534 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.066 4.812 -2.684 1.00 0.00 H new ATOM 331 N ASP A 24 6.444 9.922 -2.751 1.00 0.00 N ATOM 332 CA ASP A 24 6.097 11.316 -2.498 1.00 0.00 C ATOM 333 C ASP A 24 4.623 11.452 -2.133 1.00 0.00 C ATOM 334 O ASP A 24 3.764 10.727 -2.635 1.00 0.00 O ATOM 335 CB ASP A 24 6.411 12.173 -3.727 1.00 0.00 C ATOM 336 CG ASP A 24 7.901 12.331 -3.957 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.648 11.363 -3.700 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.320 13.423 -4.395 1.00 0.00 O ATOM 0 H ASP A 24 7.105 9.784 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 24 6.695 11.666 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.956 11.720 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.959 13.157 -3.605 1.00 0.00 H new ATOM 343 N PRO A 25 4.321 12.401 -1.234 1.00 0.00 N ATOM 344 CA PRO A 25 2.950 12.653 -0.779 1.00 0.00 C ATOM 345 C PRO A 25 2.082 13.271 -1.871 1.00 0.00 C ATOM 346 O PRO A 25 0.895 13.524 -1.664 1.00 0.00 O ATOM 347 CB PRO A 25 3.136 13.638 0.378 1.00 0.00 C ATOM 348 CG PRO A 25 4.427 14.324 0.088 1.00 0.00 C ATOM 349 CD PRO A 25 5.294 13.302 -0.595 1.00 0.00 C ATOM 0 HA PRO A 25 2.438 11.733 -0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.312 14.350 0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.169 13.121 1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.272 15.194 -0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.894 14.681 1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.957 13.763 -1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.926 12.771 0.117 1.00 0.00 H new ATOM 357 N LYS A 26 2.681 13.511 -3.032 1.00 0.00 N ATOM 358 CA LYS A 26 1.963 14.098 -4.158 1.00 0.00 C ATOM 359 C LYS A 26 1.057 13.067 -4.821 1.00 0.00 C ATOM 360 O LYS A 26 -0.101 13.350 -5.131 1.00 0.00 O ATOM 361 CB LYS A 26 2.951 14.659 -5.182 1.00 0.00 C ATOM 362 CG LYS A 26 3.858 13.606 -5.794 1.00 0.00 C ATOM 363 CD LYS A 26 5.087 14.230 -6.433 1.00 0.00 C ATOM 364 CE LYS A 26 4.748 14.903 -7.754 1.00 0.00 C ATOM 365 NZ LYS A 26 4.331 16.320 -7.564 1.00 0.00 N ATOM 0 H LYS A 26 3.663 13.308 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 26 1.343 14.910 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.394 15.154 -5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.565 15.421 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.167 12.899 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.305 13.040 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.521 14.962 -5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.842 13.462 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.615 14.865 -8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.947 14.352 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.383 16.460 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.310 16.543 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.008 16.948 -8.042 1.00 0.00 H new ATOM 379 N TYR A 27 1.590 11.869 -5.036 1.00 0.00 N ATOM 380 CA TYR A 27 0.829 10.795 -5.665 1.00 0.00 C ATOM 381 C TYR A 27 -0.069 10.096 -4.647 1.00 0.00 C ATOM 382 O TYR A 27 -1.018 9.402 -5.013 1.00 0.00 O ATOM 383 CB TYR A 27 1.775 9.781 -6.310 1.00 0.00 C ATOM 384 CG TYR A 27 2.767 10.401 -7.266 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.356 11.311 -8.232 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.117 10.078 -7.203 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.260 11.880 -9.108 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.029 10.644 -8.074 1.00 0.00 C ATOM 389 CZ TYR A 27 4.595 11.544 -9.026 1.00 0.00 C ATOM 390 OH TYR A 27 5.498 12.109 -9.896 1.00 0.00 O ATOM 0 H TYR A 27 2.546 11.617 -4.784 1.00 0.00 H new ATOM 0 HA TYR A 27 0.198 11.234 -6.438 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.319 9.255 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.186 9.036 -6.844 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.312 11.578 -8.299 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.460 9.372 -6.461 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.923 12.585 -9.854 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.075 10.383 -8.010 1.00 0.00 H new ATOM 0 HH TYR A 27 6.396 11.767 -9.703 1.00 0.00 H new ATOM 400 N HIS A 28 0.239 10.285 -3.369 1.00 0.00 N ATOM 401 CA HIS A 28 -0.540 9.674 -2.296 1.00 0.00 C ATOM 402 C HIS A 28 -2.035 9.859 -2.538 1.00 0.00 C ATOM 403 O HIS A 28 -2.792 8.896 -2.659 1.00 0.00 O ATOM 404 CB HIS A 28 -0.151 10.279 -0.947 1.00 0.00 C ATOM 405 CG HIS A 28 0.908 9.502 -0.226 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.085 9.562 1.140 1.00 0.00 N ATOM 407 CD2 HIS A 28 1.845 8.642 -0.689 1.00 0.00 C ATOM 408 CE1 HIS A 28 2.088 8.774 1.486 1.00 0.00 C ATOM 409 NE2 HIS A 28 2.566 8.205 0.394 1.00 0.00 N ATOM 0 H HIS A 28 1.022 10.856 -3.050 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.321 8.606 -2.283 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.201 11.299 -1.103 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.038 10.341 -0.316 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.529 10.126 1.783 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.997 8.353 -1.719 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.454 8.621 2.490 1.00 0.00 H new ATOM 417 N PRO A 29 -2.472 11.125 -2.609 1.00 0.00 N ATOM 418 CA PRO A 29 -3.879 11.466 -2.837 1.00 0.00 C ATOM 419 C PRO A 29 -4.337 11.125 -4.250 1.00 0.00 C ATOM 420 O PRO A 29 -5.525 11.201 -4.564 1.00 0.00 O ATOM 421 CB PRO A 29 -3.918 12.979 -2.611 1.00 0.00 C ATOM 422 CG PRO A 29 -2.532 13.442 -2.901 1.00 0.00 C ATOM 423 CD PRO A 29 -1.624 12.322 -2.473 1.00 0.00 C ATOM 0 HA PRO A 29 -4.546 10.906 -2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.642 13.459 -3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.210 13.219 -1.589 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.408 13.662 -3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.305 14.359 -2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.737 12.260 -3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.277 12.455 -1.448 1.00 0.00 H new ATOM 431 N LYS A 30 -3.388 10.749 -5.100 1.00 0.00 N ATOM 432 CA LYS A 30 -3.693 10.396 -6.481 1.00 0.00 C ATOM 433 C LYS A 30 -4.041 8.915 -6.599 1.00 0.00 C ATOM 434 O LYS A 30 -4.846 8.522 -7.444 1.00 0.00 O ATOM 435 CB LYS A 30 -2.505 10.725 -7.388 1.00 0.00 C ATOM 436 CG LYS A 30 -2.313 12.213 -7.622 1.00 0.00 C ATOM 437 CD LYS A 30 -3.157 12.709 -8.784 1.00 0.00 C ATOM 438 CE LYS A 30 -4.589 12.984 -8.354 1.00 0.00 C ATOM 439 NZ LYS A 30 -5.253 13.979 -9.243 1.00 0.00 N ATOM 0 H LYS A 30 -2.400 10.681 -4.856 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.556 10.981 -6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.597 10.315 -6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.644 10.229 -8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.579 12.761 -6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.261 12.418 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.717 13.619 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.152 11.967 -9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.156 12.053 -8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.596 13.352 -7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.227 14.140 -8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.726 14.875 -9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.269 13.617 -10.218 1.00 0.00 H new ATOM 453 N ILE A 31 -3.431 8.099 -5.746 1.00 0.00 N ATOM 454 CA ILE A 31 -3.679 6.663 -5.754 1.00 0.00 C ATOM 455 C ILE A 31 -5.029 6.335 -5.126 1.00 0.00 C ATOM 456 O ILE A 31 -5.780 5.504 -5.640 1.00 0.00 O ATOM 457 CB ILE A 31 -2.576 5.897 -5.000 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.195 6.324 -5.501 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.765 4.396 -5.166 1.00 0.00 C ATOM 460 CD1 ILE A 31 -0.108 6.197 -4.457 1.00 0.00 C ATOM 0 H ILE A 31 -2.762 8.408 -5.041 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.680 6.349 -6.798 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.647 6.137 -3.939 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.928 5.718 -6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.244 7.359 -5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.978 3.868 -4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.736 4.105 -4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.717 4.138 -6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.844 6.517 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.352 6.824 -3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.031 5.158 -4.136 1.00 0.00 H new ATOM 472 N ILE A 32 -5.334 6.994 -4.013 1.00 0.00 N ATOM 473 CA ILE A 32 -6.595 6.774 -3.317 1.00 0.00 C ATOM 474 C ILE A 32 -7.767 6.757 -4.294 1.00 0.00 C ATOM 475 O ILE A 32 -8.625 5.878 -4.235 1.00 0.00 O ATOM 476 CB ILE A 32 -6.846 7.857 -2.251 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.749 7.819 -1.185 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.216 7.669 -1.616 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.622 9.106 -0.402 1.00 0.00 C ATOM 0 H ILE A 32 -4.725 7.685 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.520 5.803 -2.827 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.823 8.833 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.954 7.001 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.795 7.600 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.378 8.442 -0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.986 7.742 -2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.267 6.688 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.825 9.006 0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.386 9.924 -1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.563 9.317 0.107 1.00 0.00 H new ATOM 491 N GLY A 33 -7.794 7.735 -5.193 1.00 0.00 N ATOM 492 CA GLY A 33 -8.863 7.813 -6.172 1.00 0.00 C ATOM 493 C GLY A 33 -9.845 8.927 -5.870 1.00 0.00 C ATOM 494 O GLY A 33 -9.928 9.400 -4.736 1.00 0.00 O ATOM 0 H GLY A 33 -7.095 8.475 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.434 7.969 -7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.395 6.862 -6.201 1.00 0.00 H new ATOM 498 N ARG A 34 -10.590 9.349 -6.886 1.00 0.00 N ATOM 499 CA ARG A 34 -11.569 10.417 -6.724 1.00 0.00 C ATOM 500 C ARG A 34 -12.267 10.314 -5.372 1.00 0.00 C ATOM 501 O ARG A 34 -12.148 11.205 -4.530 1.00 0.00 O ATOM 502 CB ARG A 34 -12.604 10.365 -7.850 1.00 0.00 C ATOM 503 CG ARG A 34 -13.474 11.608 -7.936 1.00 0.00 C ATOM 504 CD ARG A 34 -14.517 11.482 -9.035 1.00 0.00 C ATOM 505 NE ARG A 34 -15.715 10.785 -8.575 1.00 0.00 N ATOM 506 CZ ARG A 34 -16.683 10.373 -9.387 1.00 0.00 C ATOM 507 NH1 ARG A 34 -16.595 10.588 -10.691 1.00 0.00 N ATOM 508 NH2 ARG A 34 -17.742 9.745 -8.892 1.00 0.00 N ATOM 0 H ARG A 34 -10.534 8.968 -7.830 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.041 11.369 -6.769 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.088 10.227 -8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -13.243 9.494 -7.705 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.970 11.773 -6.979 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.848 12.480 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.790 12.475 -9.391 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.088 10.946 -9.882 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.814 10.605 -7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -15.783 11.071 -11.075 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -17.340 10.271 -11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.813 9.578 -7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -18.485 9.429 -9.515 1.00 0.00 H new ATOM 522 N LYS A 35 -12.996 9.222 -5.170 1.00 0.00 N ATOM 523 CA LYS A 35 -13.714 9.001 -3.920 1.00 0.00 C ATOM 524 C LYS A 35 -12.948 8.040 -3.015 1.00 0.00 C ATOM 525 O LYS A 35 -12.995 8.154 -1.792 1.00 0.00 O ATOM 526 CB LYS A 35 -15.113 8.449 -4.202 1.00 0.00 C ATOM 527 CG LYS A 35 -16.037 8.493 -2.998 1.00 0.00 C ATOM 528 CD LYS A 35 -17.167 7.484 -3.126 1.00 0.00 C ATOM 529 CE LYS A 35 -18.217 7.948 -4.123 1.00 0.00 C ATOM 530 NZ LYS A 35 -19.550 7.341 -3.848 1.00 0.00 N ATOM 0 H LYS A 35 -13.105 8.475 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.805 9.959 -3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.562 9.019 -5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.026 7.418 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.466 8.289 -2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.453 9.495 -2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.763 6.522 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.631 7.330 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.298 9.034 -4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.900 7.686 -5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -20.238 7.682 -4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.479 6.305 -3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.865 7.611 -2.894 1.00 0.00 H new ATOM 544 N GLY A 36 -12.243 7.093 -3.628 1.00 0.00 N ATOM 545 CA GLY A 36 -11.478 6.127 -2.863 1.00 0.00 C ATOM 546 C GLY A 36 -11.798 4.696 -3.249 1.00 0.00 C ATOM 547 O GLY A 36 -11.775 3.800 -2.406 1.00 0.00 O ATOM 0 H GLY A 36 -12.189 6.978 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.414 6.311 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.680 6.267 -1.801 1.00 0.00 H new ATOM 551 N ALA A 37 -12.101 4.483 -4.525 1.00 0.00 N ATOM 552 CA ALA A 37 -12.428 3.151 -5.020 1.00 0.00 C ATOM 553 C ALA A 37 -11.180 2.426 -5.512 1.00 0.00 C ATOM 554 O ALA A 37 -10.948 1.267 -5.171 1.00 0.00 O ATOM 555 CB ALA A 37 -13.463 3.241 -6.132 1.00 0.00 C ATOM 0 H ALA A 37 -12.127 5.215 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.847 2.576 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.698 2.239 -6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.369 3.711 -5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.064 3.838 -6.953 1.00 0.00 H new ATOM 561 N VAL A 38 -10.380 3.118 -6.318 1.00 0.00 N ATOM 562 CA VAL A 38 -9.154 2.540 -6.857 1.00 0.00 C ATOM 563 C VAL A 38 -8.385 1.780 -5.783 1.00 0.00 C ATOM 564 O VAL A 38 -8.081 0.597 -5.941 1.00 0.00 O ATOM 565 CB VAL A 38 -8.240 3.624 -7.458 1.00 0.00 C ATOM 566 CG1 VAL A 38 -6.959 3.004 -7.995 1.00 0.00 C ATOM 567 CG2 VAL A 38 -8.969 4.391 -8.550 1.00 0.00 C ATOM 0 H VAL A 38 -10.559 4.078 -6.612 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.451 1.847 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.973 4.327 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.325 3.785 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.429 2.504 -7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.203 2.278 -8.770 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.308 5.153 -8.963 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.268 3.703 -9.340 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.855 4.868 -8.130 1.00 0.00 H new ATOM 577 N ILE A 39 -8.074 2.467 -4.688 1.00 0.00 N ATOM 578 CA ILE A 39 -7.342 1.855 -3.585 1.00 0.00 C ATOM 579 C ILE A 39 -8.108 0.670 -3.007 1.00 0.00 C ATOM 580 O ILE A 39 -7.520 -0.358 -2.670 1.00 0.00 O ATOM 581 CB ILE A 39 -7.065 2.872 -2.462 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.220 2.230 -1.361 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.374 3.400 -1.892 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.730 2.344 -1.599 1.00 0.00 C ATOM 0 H ILE A 39 -8.317 3.447 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.392 1.506 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.508 3.711 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.464 2.698 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.487 1.177 -1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.162 4.118 -1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.944 3.889 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.954 2.572 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.193 1.867 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.473 1.851 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.450 3.396 -1.653 1.00 0.00 H new ATOM 596 N THR A 40 -9.424 0.820 -2.897 1.00 0.00 N ATOM 597 CA THR A 40 -10.271 -0.237 -2.359 1.00 0.00 C ATOM 598 C THR A 40 -10.119 -1.524 -3.163 1.00 0.00 C ATOM 599 O THR A 40 -9.797 -2.576 -2.611 1.00 0.00 O ATOM 600 CB THR A 40 -11.753 0.179 -2.353 1.00 0.00 C ATOM 601 OG1 THR A 40 -11.914 1.412 -1.642 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.615 -0.898 -1.713 1.00 0.00 C ATOM 0 H THR A 40 -9.926 1.664 -3.173 1.00 0.00 H new ATOM 0 HA THR A 40 -9.947 -0.411 -1.333 1.00 0.00 H new ATOM 0 HB THR A 40 -12.074 0.312 -3.386 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.997 2.150 -2.281 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.658 -0.581 -1.720 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.514 -1.827 -2.275 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.292 -1.059 -0.685 1.00 0.00 H new ATOM 610 N GLN A 41 -10.354 -1.432 -4.468 1.00 0.00 N ATOM 611 CA GLN A 41 -10.243 -2.591 -5.347 1.00 0.00 C ATOM 612 C GLN A 41 -8.940 -3.342 -5.095 1.00 0.00 C ATOM 613 O GLN A 41 -8.930 -4.569 -4.988 1.00 0.00 O ATOM 614 CB GLN A 41 -10.321 -2.156 -6.812 1.00 0.00 C ATOM 615 CG GLN A 41 -10.178 -3.305 -7.796 1.00 0.00 C ATOM 616 CD GLN A 41 -8.732 -3.593 -8.151 1.00 0.00 C ATOM 617 OE1 GLN A 41 -8.006 -2.710 -8.608 1.00 0.00 O ATOM 618 NE2 GLN A 41 -8.306 -4.833 -7.941 1.00 0.00 N ATOM 0 H GLN A 41 -10.622 -0.568 -4.940 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.075 -3.261 -5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.275 -1.658 -6.984 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.539 -1.422 -7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.629 -4.201 -7.370 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.732 -3.071 -8.705 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.942 -5.533 -7.560 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.342 -5.085 -8.160 1.00 0.00 H new ATOM 627 N ILE A 42 -7.842 -2.599 -5.003 1.00 0.00 N ATOM 628 CA ILE A 42 -6.534 -3.194 -4.764 1.00 0.00 C ATOM 629 C ILE A 42 -6.461 -3.821 -3.376 1.00 0.00 C ATOM 630 O ILE A 42 -6.008 -4.955 -3.219 1.00 0.00 O ATOM 631 CB ILE A 42 -5.407 -2.155 -4.905 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.424 -1.538 -6.306 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.057 -2.794 -4.619 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.709 -0.208 -6.389 1.00 0.00 C ATOM 0 H ILE A 42 -7.833 -1.583 -5.091 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.398 -3.969 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.573 -1.361 -4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.962 -2.234 -7.006 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.458 -1.406 -6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.271 -2.046 -4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.049 -3.189 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.881 -3.605 -5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.761 0.170 -7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.185 0.504 -5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.665 -0.338 -6.103 1.00 0.00 H new ATOM 646 N ARG A 43 -6.912 -3.077 -2.372 1.00 0.00 N ATOM 647 CA ARG A 43 -6.898 -3.559 -0.997 1.00 0.00 C ATOM 648 C ARG A 43 -7.657 -4.878 -0.876 1.00 0.00 C ATOM 649 O ARG A 43 -7.165 -5.837 -0.279 1.00 0.00 O ATOM 650 CB ARG A 43 -7.513 -2.517 -0.062 1.00 0.00 C ATOM 651 CG ARG A 43 -6.625 -1.306 0.170 1.00 0.00 C ATOM 652 CD ARG A 43 -7.276 -0.310 1.117 1.00 0.00 C ATOM 653 NE ARG A 43 -8.424 0.356 0.508 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.407 0.910 1.207 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.383 0.879 2.532 1.00 0.00 N ATOM 656 NH2 ARG A 43 -10.419 1.498 0.580 1.00 0.00 N ATOM 0 H ARG A 43 -7.292 -2.137 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.861 -3.728 -0.708 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.464 -2.185 -0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.731 -2.986 0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.668 -1.629 0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.415 -0.820 -0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.595 -0.826 2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.542 0.437 1.418 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.473 0.398 -0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.607 0.428 3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.140 1.306 3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.441 1.524 -0.439 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.174 1.924 1.118 1.00 0.00 H new ATOM 670 N LEU A 44 -8.857 -4.918 -1.445 1.00 0.00 N ATOM 671 CA LEU A 44 -9.684 -6.119 -1.401 1.00 0.00 C ATOM 672 C LEU A 44 -9.041 -7.253 -2.191 1.00 0.00 C ATOM 673 O LEU A 44 -9.058 -8.408 -1.765 1.00 0.00 O ATOM 674 CB LEU A 44 -11.078 -5.822 -1.957 1.00 0.00 C ATOM 675 CG LEU A 44 -12.043 -5.114 -1.004 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.312 -4.705 -1.737 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.375 -6.008 0.181 1.00 0.00 C ATOM 0 H LEU A 44 -9.279 -4.133 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.772 -6.431 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.968 -5.210 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.531 -6.763 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.557 -4.213 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.987 -4.203 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.059 -4.027 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.801 -5.592 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.062 -5.488 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.841 -6.927 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.460 -6.251 0.721 1.00 0.00 H new ATOM 689 N GLU A 45 -8.471 -6.916 -3.345 1.00 0.00 N ATOM 690 CA GLU A 45 -7.822 -7.906 -4.194 1.00 0.00 C ATOM 691 C GLU A 45 -6.797 -8.715 -3.401 1.00 0.00 C ATOM 692 O GLU A 45 -6.853 -9.944 -3.365 1.00 0.00 O ATOM 693 CB GLU A 45 -7.139 -7.224 -5.381 1.00 0.00 C ATOM 694 CG GLU A 45 -6.462 -8.195 -6.334 1.00 0.00 C ATOM 695 CD GLU A 45 -7.445 -9.133 -7.008 1.00 0.00 C ATOM 696 OE1 GLU A 45 -8.038 -8.737 -8.033 1.00 0.00 O ATOM 697 OE2 GLU A 45 -7.620 -10.265 -6.509 1.00 0.00 O ATOM 0 H GLU A 45 -8.446 -5.965 -3.712 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.589 -8.586 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.880 -6.645 -5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.397 -6.519 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.921 -7.633 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.724 -8.781 -5.786 1.00 0.00 H new ATOM 704 N HIS A 46 -5.863 -8.013 -2.767 1.00 0.00 N ATOM 705 CA HIS A 46 -4.826 -8.664 -1.974 1.00 0.00 C ATOM 706 C HIS A 46 -5.301 -8.896 -0.543 1.00 0.00 C ATOM 707 O HIS A 46 -4.650 -9.597 0.232 1.00 0.00 O ATOM 708 CB HIS A 46 -3.551 -7.820 -1.970 1.00 0.00 C ATOM 709 CG HIS A 46 -3.176 -7.296 -3.322 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.639 -8.088 -4.314 1.00 0.00 N ATOM 711 CD2 HIS A 46 -3.266 -6.050 -3.844 1.00 0.00 C ATOM 712 CE1 HIS A 46 -2.412 -7.352 -5.388 1.00 0.00 C ATOM 713 NE2 HIS A 46 -2.785 -6.112 -5.129 1.00 0.00 N ATOM 0 H HIS A 46 -5.803 -6.995 -2.787 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.611 -9.631 -2.428 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.683 -6.980 -1.288 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.729 -8.421 -1.581 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -2.447 -9.086 -4.232 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.645 -5.171 -3.343 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.993 -7.705 -6.319 1.00 0.00 H new ATOM 721 N ASP A 47 -6.438 -8.302 -0.199 1.00 0.00 N ATOM 722 CA ASP A 47 -7.001 -8.444 1.139 1.00 0.00 C ATOM 723 C ASP A 47 -6.069 -7.844 2.187 1.00 0.00 C ATOM 724 O ASP A 47 -5.746 -8.487 3.186 1.00 0.00 O ATOM 725 CB ASP A 47 -7.261 -9.918 1.453 1.00 0.00 C ATOM 726 CG ASP A 47 -7.856 -10.664 0.276 1.00 0.00 C ATOM 727 OD1 ASP A 47 -9.059 -10.477 0.000 1.00 0.00 O ATOM 728 OD2 ASP A 47 -7.118 -11.436 -0.371 1.00 0.00 O ATOM 0 H ASP A 47 -6.988 -7.717 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.947 -7.903 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.326 -10.395 1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.937 -9.991 2.305 1.00 0.00 H new ATOM 733 N VAL A 48 -5.637 -6.610 1.951 1.00 0.00 N ATOM 734 CA VAL A 48 -4.741 -5.923 2.874 1.00 0.00 C ATOM 735 C VAL A 48 -5.294 -4.555 3.261 1.00 0.00 C ATOM 736 O VAL A 48 -6.313 -4.114 2.733 1.00 0.00 O ATOM 737 CB VAL A 48 -3.338 -5.744 2.265 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.765 -7.086 1.839 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.387 -4.778 1.091 1.00 0.00 C ATOM 0 H VAL A 48 -5.893 -6.065 1.128 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.665 -6.546 3.765 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.682 -5.322 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.773 -6.939 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.692 -7.742 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.418 -7.540 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.387 -4.663 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.058 -5.169 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.751 -3.809 1.432 1.00 0.00 H new ATOM 749 N ASN A 49 -4.613 -3.889 4.188 1.00 0.00 N ATOM 750 CA ASN A 49 -5.036 -2.570 4.646 1.00 0.00 C ATOM 751 C ASN A 49 -3.989 -1.514 4.307 1.00 0.00 C ATOM 752 O ASN A 49 -2.862 -1.563 4.800 1.00 0.00 O ATOM 753 CB ASN A 49 -5.287 -2.589 6.155 1.00 0.00 C ATOM 754 CG ASN A 49 -6.122 -1.410 6.618 1.00 0.00 C ATOM 755 OD1 ASN A 49 -5.898 -0.275 6.197 1.00 0.00 O ATOM 756 ND2 ASN A 49 -7.089 -1.675 7.487 1.00 0.00 N ATOM 0 H ASN A 49 -3.767 -4.240 4.636 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.963 -2.314 4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.792 -3.516 6.425 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.332 -2.582 6.679 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.683 -0.922 7.834 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.238 -2.632 7.808 1.00 0.00 H new ATOM 763 N ILE A 50 -4.369 -0.562 3.462 1.00 0.00 N ATOM 764 CA ILE A 50 -3.464 0.506 3.059 1.00 0.00 C ATOM 765 C ILE A 50 -3.862 1.835 3.693 1.00 0.00 C ATOM 766 O ILE A 50 -4.917 2.387 3.385 1.00 0.00 O ATOM 767 CB ILE A 50 -3.433 0.671 1.527 1.00 0.00 C ATOM 768 CG1 ILE A 50 -2.963 -0.625 0.863 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.530 1.830 1.136 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.112 -0.621 -0.643 1.00 0.00 C ATOM 0 H ILE A 50 -5.298 -0.509 3.043 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.470 0.223 3.407 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.443 0.891 1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.916 -0.795 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.530 -1.461 1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.519 1.933 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.905 2.750 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.518 1.639 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.759 -1.570 -1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.161 -0.483 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.523 0.193 -1.065 1.00 0.00 H new ATOM 782 N GLN A 51 -3.009 2.340 4.578 1.00 0.00 N ATOM 783 CA GLN A 51 -3.273 3.605 5.255 1.00 0.00 C ATOM 784 C GLN A 51 -2.180 4.624 4.949 1.00 0.00 C ATOM 785 O GLN A 51 -1.000 4.378 5.200 1.00 0.00 O ATOM 786 CB GLN A 51 -3.375 3.388 6.766 1.00 0.00 C ATOM 787 CG GLN A 51 -3.989 4.563 7.509 1.00 0.00 C ATOM 788 CD GLN A 51 -3.630 4.573 8.982 1.00 0.00 C ATOM 789 OE1 GLN A 51 -3.691 3.544 9.655 1.00 0.00 O ATOM 790 NE2 GLN A 51 -3.251 5.740 9.491 1.00 0.00 N ATOM 0 H GLN A 51 -2.131 1.894 4.843 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.222 3.994 4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.972 2.496 6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.379 3.197 7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.653 5.493 7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.073 4.528 7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.215 6.568 8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.996 5.808 10.476 1.00 0.00 H new ATOM 799 N PHE A 52 -2.580 5.769 4.405 1.00 0.00 N ATOM 800 CA PHE A 52 -1.635 6.825 4.064 1.00 0.00 C ATOM 801 C PHE A 52 -1.437 7.778 5.239 1.00 0.00 C ATOM 802 O PHE A 52 -2.311 7.946 6.089 1.00 0.00 O ATOM 803 CB PHE A 52 -2.125 7.602 2.840 1.00 0.00 C ATOM 804 CG PHE A 52 -2.305 6.746 1.620 1.00 0.00 C ATOM 805 CD1 PHE A 52 -3.484 6.048 1.415 1.00 0.00 C ATOM 806 CD2 PHE A 52 -1.296 6.641 0.676 1.00 0.00 C ATOM 807 CE1 PHE A 52 -3.653 5.258 0.293 1.00 0.00 C ATOM 808 CE2 PHE A 52 -1.458 5.853 -0.448 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.639 5.162 -0.640 1.00 0.00 C ATOM 0 H PHE A 52 -3.553 5.989 4.191 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.677 6.359 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.073 8.082 3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.413 8.396 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.281 6.122 2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.372 7.181 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.576 4.717 0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.663 5.778 -1.175 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.769 4.548 -1.519 1.00 0.00 H new ATOM 819 N PRO A 53 -0.258 8.416 5.290 1.00 0.00 N ATOM 820 CA PRO A 53 0.085 9.362 6.357 1.00 0.00 C ATOM 821 C PRO A 53 -0.721 10.654 6.266 1.00 0.00 C ATOM 822 O PRO A 53 -1.219 11.012 5.198 1.00 0.00 O ATOM 823 CB PRO A 53 1.571 9.642 6.118 1.00 0.00 C ATOM 824 CG PRO A 53 1.779 9.374 4.669 1.00 0.00 C ATOM 825 CD PRO A 53 0.832 8.263 4.311 1.00 0.00 C ATOM 0 HA PRO A 53 -0.133 8.959 7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.825 10.671 6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.199 8.998 6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.577 10.265 4.075 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.811 9.086 4.470 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.469 8.358 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.310 7.286 4.390 1.00 0.00 H new ATOM 833 N ASP A 54 -0.845 11.349 7.391 1.00 0.00 N ATOM 834 CA ASP A 54 -1.590 12.601 7.438 1.00 0.00 C ATOM 835 C ASP A 54 -0.649 13.786 7.630 1.00 0.00 C ATOM 836 O ASP A 54 0.243 13.754 8.480 1.00 0.00 O ATOM 837 CB ASP A 54 -2.620 12.564 8.568 1.00 0.00 C ATOM 838 CG ASP A 54 -3.835 13.421 8.271 1.00 0.00 C ATOM 839 OD1 ASP A 54 -4.204 13.539 7.083 1.00 0.00 O ATOM 840 OD2 ASP A 54 -4.419 13.974 9.226 1.00 0.00 O ATOM 0 H ASP A 54 -0.439 11.066 8.283 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.109 12.722 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.937 11.534 8.734 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.154 12.907 9.492 1.00 0.00 H new ATOM 845 N LYS A 55 -0.851 14.831 6.835 1.00 0.00 N ATOM 846 CA LYS A 55 -0.021 16.027 6.917 1.00 0.00 C ATOM 847 C LYS A 55 -0.276 16.779 8.219 1.00 0.00 C ATOM 848 O LYS A 55 0.618 17.433 8.755 1.00 0.00 O ATOM 849 CB LYS A 55 -0.295 16.946 5.723 1.00 0.00 C ATOM 850 CG LYS A 55 -1.685 17.557 5.734 1.00 0.00 C ATOM 851 CD LYS A 55 -1.717 18.858 6.518 1.00 0.00 C ATOM 852 CE LYS A 55 -2.855 19.757 6.061 1.00 0.00 C ATOM 853 NZ LYS A 55 -4.171 19.296 6.582 1.00 0.00 N ATOM 0 H LYS A 55 -1.583 14.874 6.126 1.00 0.00 H new ATOM 0 HA LYS A 55 1.023 15.716 6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.445 17.746 5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.163 16.380 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.011 17.740 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.390 16.850 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.828 18.641 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.768 19.380 6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.669 20.777 6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.884 19.780 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.936 19.766 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.250 18.266 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.247 19.534 7.592 1.00 0.00 H new ATOM 867 N ASP A 56 -1.502 16.680 8.723 1.00 0.00 N ATOM 868 CA ASP A 56 -1.873 17.349 9.965 1.00 0.00 C ATOM 869 C ASP A 56 -0.925 16.961 11.096 1.00 0.00 C ATOM 870 O ASP A 56 -0.524 17.804 11.898 1.00 0.00 O ATOM 871 CB ASP A 56 -3.312 16.999 10.347 1.00 0.00 C ATOM 872 CG ASP A 56 -4.332 17.745 9.510 1.00 0.00 C ATOM 873 OD1 ASP A 56 -4.112 18.945 9.238 1.00 0.00 O ATOM 874 OD2 ASP A 56 -5.350 17.132 9.127 1.00 0.00 O ATOM 0 H ASP A 56 -2.255 16.144 8.291 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.798 18.425 9.806 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.465 15.926 10.230 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.472 17.230 11.400 1.00 0.00 H new ATOM 879 N ASP A 57 -0.573 15.682 11.154 1.00 0.00 N ATOM 880 CA ASP A 57 0.327 15.183 12.186 1.00 0.00 C ATOM 881 C ASP A 57 1.704 15.830 12.067 1.00 0.00 C ATOM 882 O ASP A 57 2.120 16.594 12.938 1.00 0.00 O ATOM 883 CB ASP A 57 0.456 13.662 12.089 1.00 0.00 C ATOM 884 CG ASP A 57 0.793 13.023 13.422 1.00 0.00 C ATOM 885 OD1 ASP A 57 -0.007 13.172 14.369 1.00 0.00 O ATOM 886 OD2 ASP A 57 1.856 12.375 13.518 1.00 0.00 O ATOM 0 H ASP A 57 -0.897 14.972 10.498 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.095 15.444 13.157 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.479 13.244 11.715 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.230 13.412 11.363 1.00 0.00 H new ATOM 891 N GLY A 58 2.407 15.519 10.982 1.00 0.00 N ATOM 892 CA GLY A 58 3.728 16.079 10.769 1.00 0.00 C ATOM 893 C GLY A 58 4.834 15.133 11.194 1.00 0.00 C ATOM 894 O GLY A 58 5.547 14.584 10.355 1.00 0.00 O ATOM 0 H GLY A 58 2.085 14.889 10.247 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.849 16.324 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.818 17.012 11.326 1.00 0.00 H new ATOM 898 N ASN A 59 4.977 14.942 12.502 1.00 0.00 N ATOM 899 CA ASN A 59 6.005 14.057 13.037 1.00 0.00 C ATOM 900 C ASN A 59 6.158 12.812 12.168 1.00 0.00 C ATOM 901 O ASN A 59 7.273 12.364 11.899 1.00 0.00 O ATOM 902 CB ASN A 59 5.661 13.651 14.472 1.00 0.00 C ATOM 903 CG ASN A 59 5.755 14.815 15.439 1.00 0.00 C ATOM 904 OD1 ASN A 59 4.757 15.474 15.732 1.00 0.00 O ATOM 905 ND2 ASN A 59 6.957 15.073 15.941 1.00 0.00 N ATOM 0 H ASN A 59 4.394 15.388 13.210 1.00 0.00 H new ATOM 0 HA ASN A 59 6.951 14.598 13.036 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.652 13.240 14.499 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.336 12.858 14.795 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.081 15.844 16.598 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.756 14.500 15.670 1.00 0.00 H new ATOM 912 N GLN A 60 5.030 12.259 11.731 1.00 0.00 N ATOM 913 CA GLN A 60 5.041 11.067 10.892 1.00 0.00 C ATOM 914 C GLN A 60 5.350 11.424 9.443 1.00 0.00 C ATOM 915 O GLN A 60 5.067 12.527 8.975 1.00 0.00 O ATOM 916 CB GLN A 60 3.692 10.348 10.977 1.00 0.00 C ATOM 917 CG GLN A 60 2.611 10.980 10.117 1.00 0.00 C ATOM 918 CD GLN A 60 1.318 10.189 10.129 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.196 10.890 10.247 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 1.327 8.962 10.035 1.00 0.00 N flip ATOM 0 H GLN A 60 4.099 12.617 11.944 1.00 0.00 H new ATOM 0 HA GLN A 60 5.824 10.402 11.257 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.824 9.309 10.675 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.360 10.338 12.015 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.416 11.992 10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.971 11.065 9.092 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.213 8.464 9.946 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.449 8.443 10.046 1.00 0.00 H new ATOM 929 N PRO A 61 5.947 10.469 8.713 1.00 0.00 N ATOM 930 CA PRO A 61 6.308 10.660 7.305 1.00 0.00 C ATOM 931 C PRO A 61 5.085 10.728 6.397 1.00 0.00 C ATOM 932 O PRO A 61 4.173 9.908 6.507 1.00 0.00 O ATOM 933 CB PRO A 61 7.145 9.420 6.983 1.00 0.00 C ATOM 934 CG PRO A 61 6.682 8.387 7.951 1.00 0.00 C ATOM 935 CD PRO A 61 6.314 9.131 9.205 1.00 0.00 C ATOM 0 HA PRO A 61 6.834 11.601 7.143 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.991 9.095 5.954 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.210 9.621 7.098 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.826 7.839 7.557 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.466 7.656 8.147 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.485 8.653 9.727 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.148 9.175 9.905 1.00 0.00 H new ATOM 943 N GLN A 62 5.073 11.708 5.500 1.00 0.00 N ATOM 944 CA GLN A 62 3.961 11.881 4.572 1.00 0.00 C ATOM 945 C GLN A 62 4.221 11.140 3.265 1.00 0.00 C ATOM 946 O GLN A 62 3.295 10.858 2.505 1.00 0.00 O ATOM 947 CB GLN A 62 3.729 13.367 4.293 1.00 0.00 C ATOM 948 CG GLN A 62 3.295 14.157 5.517 1.00 0.00 C ATOM 949 CD GLN A 62 2.267 13.419 6.352 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.204 13.043 5.858 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.579 13.209 7.625 1.00 0.00 N ATOM 0 H GLN A 62 5.820 12.394 5.396 1.00 0.00 H new ATOM 0 HA GLN A 62 3.067 11.461 5.034 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.647 13.801 3.898 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.969 13.468 3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.168 14.376 6.132 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.881 15.114 5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.472 13.538 7.992 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.926 12.718 8.236 1.00 0.00 H new ATOM 960 N ASP A 63 5.486 10.827 3.010 1.00 0.00 N ATOM 961 CA ASP A 63 5.870 10.118 1.795 1.00 0.00 C ATOM 962 C ASP A 63 5.836 8.609 2.013 1.00 0.00 C ATOM 963 O ASP A 63 5.822 7.835 1.057 1.00 0.00 O ATOM 964 CB ASP A 63 7.266 10.550 1.345 1.00 0.00 C ATOM 965 CG ASP A 63 8.364 9.736 2.001 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.650 8.624 1.511 1.00 0.00 O ATOM 967 OD2 ASP A 63 8.934 10.211 3.006 1.00 0.00 O ATOM 0 H ASP A 63 6.264 11.053 3.629 1.00 0.00 H new ATOM 0 HA ASP A 63 5.152 10.371 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.342 10.451 0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.410 11.605 1.580 1.00 0.00 H new ATOM 972 N GLN A 64 5.824 8.199 3.278 1.00 0.00 N ATOM 973 CA GLN A 64 5.794 6.782 3.621 1.00 0.00 C ATOM 974 C GLN A 64 4.359 6.283 3.748 1.00 0.00 C ATOM 975 O GLN A 64 3.528 6.917 4.399 1.00 0.00 O ATOM 976 CB GLN A 64 6.551 6.536 4.927 1.00 0.00 C ATOM 977 CG GLN A 64 8.061 6.618 4.780 1.00 0.00 C ATOM 978 CD GLN A 64 8.687 5.283 4.429 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.501 4.850 3.187 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.331 4.646 5.264 1.00 0.00 N flip ATOM 0 H GLN A 64 5.835 8.828 4.081 1.00 0.00 H new ATOM 0 HA GLN A 64 6.281 6.229 2.818 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.226 7.266 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.285 5.551 5.312 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.308 7.345 4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.493 6.984 5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.449 5.016 6.207 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.746 3.749 5.012 1.00 0.00 H new ATOM 989 N ILE A 65 4.076 5.145 3.124 1.00 0.00 N ATOM 990 CA ILE A 65 2.741 4.561 3.169 1.00 0.00 C ATOM 991 C ILE A 65 2.718 3.308 4.037 1.00 0.00 C ATOM 992 O ILE A 65 3.497 2.377 3.826 1.00 0.00 O ATOM 993 CB ILE A 65 2.235 4.204 1.758 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.451 5.380 0.803 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.765 3.816 1.806 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.303 5.008 -0.656 1.00 0.00 C ATOM 0 H ILE A 65 4.753 4.609 2.581 1.00 0.00 H new ATOM 0 HA ILE A 65 2.082 5.313 3.603 1.00 0.00 H new ATOM 0 HB ILE A 65 2.804 3.351 1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.737 6.168 1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.447 5.791 0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.422 3.566 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.638 2.952 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.181 4.651 2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.469 5.890 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.035 4.242 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.298 4.624 -0.834 1.00 0.00 H new ATOM 1008 N THR A 66 1.818 3.288 5.015 1.00 0.00 N ATOM 1009 CA THR A 66 1.693 2.149 5.915 1.00 0.00 C ATOM 1010 C THR A 66 0.697 1.129 5.375 1.00 0.00 C ATOM 1011 O THR A 66 -0.421 1.480 4.996 1.00 0.00 O ATOM 1012 CB THR A 66 1.246 2.591 7.322 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.826 3.860 7.644 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.651 1.564 8.367 1.00 0.00 C ATOM 0 H THR A 66 1.165 4.048 5.204 1.00 0.00 H new ATOM 0 HA THR A 66 2.679 1.690 5.983 1.00 0.00 H new ATOM 0 HB THR A 66 0.159 2.677 7.323 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.536 4.135 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.324 1.899 9.352 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.184 0.606 8.136 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.735 1.450 8.364 1.00 0.00 H new ATOM 1022 N ILE A 67 1.109 -0.134 5.346 1.00 0.00 N ATOM 1023 CA ILE A 67 0.252 -1.205 4.854 1.00 0.00 C ATOM 1024 C ILE A 67 0.325 -2.428 5.760 1.00 0.00 C ATOM 1025 O ILE A 67 1.403 -2.973 6.002 1.00 0.00 O ATOM 1026 CB ILE A 67 0.632 -1.619 3.420 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.644 -0.396 2.499 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.332 -2.672 2.898 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.322 -0.647 1.170 1.00 0.00 C ATOM 0 H ILE A 67 2.031 -0.440 5.657 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.767 -0.817 4.853 1.00 0.00 H new ATOM 0 HB ILE A 67 1.633 -2.049 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.383 -0.076 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.150 0.426 3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.049 -2.953 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.295 -3.551 3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.344 -2.268 2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.293 0.262 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.359 -0.937 1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.803 -1.447 0.642 1.00 0.00 H new ATOM 1041 N THR A 68 -0.829 -2.859 6.260 1.00 0.00 N ATOM 1042 CA THR A 68 -0.896 -4.019 7.140 1.00 0.00 C ATOM 1043 C THR A 68 -1.433 -5.239 6.401 1.00 0.00 C ATOM 1044 O THR A 68 -2.181 -5.111 5.432 1.00 0.00 O ATOM 1045 CB THR A 68 -1.786 -3.743 8.367 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.430 -2.489 8.958 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.646 -4.853 9.398 1.00 0.00 C ATOM 0 H THR A 68 -1.731 -2.422 6.070 1.00 0.00 H new ATOM 0 HA THR A 68 0.121 -4.220 7.476 1.00 0.00 H new ATOM 0 HB THR A 68 -2.823 -3.706 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.001 -2.320 9.736 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.284 -4.636 10.255 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.946 -5.802 8.954 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.608 -4.917 9.725 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.049 -6.424 6.866 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.502 -7.650 6.237 1.00 0.00 C ATOM 1057 C GLY A 69 -0.381 -8.653 6.045 1.00 0.00 C ATOM 1058 O GLY A 69 0.780 -8.356 6.322 1.00 0.00 O ATOM 0 H GLY A 69 -0.432 -6.556 7.667 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.286 -8.099 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.945 -7.416 5.269 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.730 -9.844 5.572 1.00 0.00 N ATOM 1063 CA TYR A 70 0.255 -10.895 5.348 1.00 0.00 C ATOM 1064 C TYR A 70 1.461 -10.357 4.583 1.00 0.00 C ATOM 1065 O TYR A 70 1.313 -9.603 3.623 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.374 -12.058 4.578 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.441 -12.793 5.357 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -2.740 -12.303 5.428 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -1.150 -13.977 6.024 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -3.718 -12.971 6.139 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -2.122 -14.652 6.737 1.00 0.00 C ATOM 1072 CZ TYR A 70 -3.404 -14.145 6.792 1.00 0.00 C ATOM 1073 OH TYR A 70 -4.374 -14.814 7.501 1.00 0.00 O ATOM 0 H TYR A 70 -1.687 -10.106 5.336 1.00 0.00 H new ATOM 0 HA TYR A 70 0.594 -11.253 6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.808 -11.678 3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.409 -12.762 4.297 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.989 -11.384 4.918 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.147 -14.376 5.984 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.722 -12.577 6.183 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.880 -15.572 7.249 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.989 -15.622 7.900 1.00 0.00 H new ATOM 1083 N GLU A 71 2.653 -10.754 5.017 1.00 0.00 N ATOM 1084 CA GLU A 71 3.885 -10.312 4.374 1.00 0.00 C ATOM 1085 C GLU A 71 3.811 -10.512 2.862 1.00 0.00 C ATOM 1086 O GLU A 71 4.531 -9.863 2.103 1.00 0.00 O ATOM 1087 CB GLU A 71 5.085 -11.074 4.942 1.00 0.00 C ATOM 1088 CG GLU A 71 6.389 -10.785 4.216 1.00 0.00 C ATOM 1089 CD GLU A 71 7.598 -11.323 4.953 1.00 0.00 C ATOM 1090 OE1 GLU A 71 8.045 -10.668 5.918 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.099 -12.399 4.566 1.00 0.00 O ATOM 0 H GLU A 71 2.792 -11.380 5.810 1.00 0.00 H new ATOM 0 HA GLU A 71 4.010 -9.248 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.201 -10.819 5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.881 -12.144 4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.351 -11.224 3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.497 -9.708 4.086 1.00 0.00 H new ATOM 1098 N LYS A 72 2.937 -11.414 2.433 1.00 0.00 N ATOM 1099 CA LYS A 72 2.767 -11.701 1.013 1.00 0.00 C ATOM 1100 C LYS A 72 1.701 -10.800 0.400 1.00 0.00 C ATOM 1101 O LYS A 72 1.949 -10.114 -0.591 1.00 0.00 O ATOM 1102 CB LYS A 72 2.386 -13.169 0.811 1.00 0.00 C ATOM 1103 CG LYS A 72 1.645 -13.775 1.990 1.00 0.00 C ATOM 1104 CD LYS A 72 2.605 -14.289 3.048 1.00 0.00 C ATOM 1105 CE LYS A 72 3.025 -15.723 2.771 1.00 0.00 C ATOM 1106 NZ LYS A 72 3.726 -16.332 3.935 1.00 0.00 N ATOM 0 H LYS A 72 2.334 -11.960 3.048 1.00 0.00 H new ATOM 0 HA LYS A 72 3.715 -11.505 0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.764 -13.255 -0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.291 -13.748 0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.985 -13.027 2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.014 -14.593 1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.488 -13.650 3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.133 -14.230 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.145 -16.318 2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.680 -15.748 1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.996 -17.310 3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.580 -15.780 4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.093 -16.332 4.760 1.00 0.00 H new ATOM 1120 N ASN A 73 0.513 -10.803 0.997 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.591 -9.984 0.510 1.00 0.00 C ATOM 1122 C ASN A 73 -0.189 -8.513 0.443 1.00 0.00 C ATOM 1123 O ASN A 73 -0.623 -7.779 -0.444 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.814 -10.151 1.414 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.323 -11.579 1.442 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.714 -12.478 0.862 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.446 -11.793 2.118 1.00 0.00 N ATOM 0 H ASN A 73 0.290 -11.364 1.819 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.843 -10.319 -0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.559 -9.840 2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.610 -9.491 1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.838 -12.733 2.172 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.917 -11.017 2.583 1.00 0.00 H new ATOM 1134 N THR A 74 0.645 -8.090 1.389 1.00 0.00 N ATOM 1135 CA THR A 74 1.104 -6.709 1.439 1.00 0.00 C ATOM 1136 C THR A 74 1.963 -6.371 0.226 1.00 0.00 C ATOM 1137 O THR A 74 1.600 -5.521 -0.586 1.00 0.00 O ATOM 1138 CB THR A 74 1.913 -6.432 2.720 1.00 0.00 C ATOM 1139 OG1 THR A 74 2.864 -7.481 2.936 1.00 0.00 O ATOM 1140 CG2 THR A 74 0.995 -6.318 3.927 1.00 0.00 C ATOM 0 H THR A 74 1.015 -8.685 2.130 1.00 0.00 H new ATOM 0 HA THR A 74 0.214 -6.080 1.437 1.00 0.00 H new ATOM 0 HB THR A 74 2.439 -5.486 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.112 -7.508 3.884 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.590 -6.122 4.819 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.292 -5.500 3.773 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.445 -7.250 4.055 1.00 0.00 H new ATOM 1148 N GLU A 75 3.104 -7.044 0.109 1.00 0.00 N ATOM 1149 CA GLU A 75 4.015 -6.814 -1.006 1.00 0.00 C ATOM 1150 C GLU A 75 3.255 -6.765 -2.329 1.00 0.00 C ATOM 1151 O GLU A 75 3.580 -5.976 -3.215 1.00 0.00 O ATOM 1152 CB GLU A 75 5.081 -7.911 -1.058 1.00 0.00 C ATOM 1153 CG GLU A 75 6.025 -7.899 0.132 1.00 0.00 C ATOM 1154 CD GLU A 75 7.070 -6.804 0.036 1.00 0.00 C ATOM 1155 OE1 GLU A 75 6.764 -5.743 -0.550 1.00 0.00 O ATOM 1156 OE2 GLU A 75 8.192 -7.006 0.545 1.00 0.00 O ATOM 0 H GLU A 75 3.419 -7.752 0.772 1.00 0.00 H new ATOM 0 HA GLU A 75 4.502 -5.851 -0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.589 -8.882 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.662 -7.798 -1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.448 -7.767 1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.523 -8.866 0.206 1.00 0.00 H new ATOM 1163 N ALA A 76 2.240 -7.615 -2.453 1.00 0.00 N ATOM 1164 CA ALA A 76 1.432 -7.668 -3.665 1.00 0.00 C ATOM 1165 C ALA A 76 0.678 -6.360 -3.880 1.00 0.00 C ATOM 1166 O ALA A 76 0.443 -5.948 -5.014 1.00 0.00 O ATOM 1167 CB ALA A 76 0.460 -8.836 -3.600 1.00 0.00 C ATOM 0 H ALA A 76 1.958 -8.276 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 76 2.102 -7.814 -4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.137 -8.864 -4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.017 -9.768 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.197 -8.715 -2.739 1.00 0.00 H new ATOM 1173 N ALA A 77 0.300 -5.714 -2.782 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.428 -4.453 -2.850 1.00 0.00 C ATOM 1175 C ALA A 77 0.529 -3.276 -3.008 1.00 0.00 C ATOM 1176 O ALA A 77 0.306 -2.388 -3.833 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.290 -4.273 -1.610 1.00 0.00 C ATOM 0 H ALA A 77 0.486 -6.043 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.075 -4.482 -3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.828 -3.327 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.005 -5.093 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.656 -4.270 -0.723 1.00 0.00 H new ATOM 1183 N ARG A 78 1.593 -3.273 -2.211 1.00 0.00 N ATOM 1184 CA ARG A 78 2.581 -2.203 -2.260 1.00 0.00 C ATOM 1185 C ARG A 78 3.167 -2.068 -3.663 1.00 0.00 C ATOM 1186 O ARG A 78 3.669 -1.009 -4.038 1.00 0.00 O ATOM 1187 CB ARG A 78 3.701 -2.468 -1.253 1.00 0.00 C ATOM 1188 CG ARG A 78 4.803 -3.368 -1.788 1.00 0.00 C ATOM 1189 CD ARG A 78 5.903 -2.562 -2.462 1.00 0.00 C ATOM 1190 NE ARG A 78 6.620 -3.346 -3.463 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.863 -3.082 -3.851 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.523 -2.060 -3.323 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.449 -3.841 -4.769 1.00 0.00 N ATOM 0 H ARG A 78 1.792 -4.000 -1.524 1.00 0.00 H new ATOM 0 HA ARG A 78 2.081 -1.269 -2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.137 -1.516 -0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.274 -2.923 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.227 -3.951 -0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.381 -4.077 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.469 -1.681 -2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.606 -2.206 -1.708 1.00 0.00 H new ATOM 0 HE ARG A 78 6.141 -4.140 -3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.076 -1.474 -2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.477 -1.860 -3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.945 -4.628 -5.177 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.403 -3.637 -5.066 1.00 0.00 H new ATOM 1207 N ASP A 79 3.098 -3.149 -4.433 1.00 0.00 N ATOM 1208 CA ASP A 79 3.621 -3.152 -5.795 1.00 0.00 C ATOM 1209 C ASP A 79 2.812 -2.218 -6.689 1.00 0.00 C ATOM 1210 O ASP A 79 3.354 -1.588 -7.596 1.00 0.00 O ATOM 1211 CB ASP A 79 3.602 -4.570 -6.368 1.00 0.00 C ATOM 1212 CG ASP A 79 4.335 -4.669 -7.692 1.00 0.00 C ATOM 1213 OD1 ASP A 79 5.506 -4.240 -7.754 1.00 0.00 O ATOM 1214 OD2 ASP A 79 3.737 -5.175 -8.664 1.00 0.00 O ATOM 0 H ASP A 79 2.685 -4.034 -4.138 1.00 0.00 H new ATOM 0 HA ASP A 79 4.650 -2.795 -5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.057 -5.254 -5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.569 -4.890 -6.503 1.00 0.00 H new ATOM 1219 N ALA A 80 1.512 -2.135 -6.427 1.00 0.00 N ATOM 1220 CA ALA A 80 0.628 -1.277 -7.207 1.00 0.00 C ATOM 1221 C ALA A 80 0.963 0.195 -6.995 1.00 0.00 C ATOM 1222 O ALA A 80 1.249 0.920 -7.948 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.824 -1.548 -6.845 1.00 0.00 C ATOM 0 H ALA A 80 1.047 -2.652 -5.680 1.00 0.00 H new ATOM 0 HA ALA A 80 0.777 -1.507 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.473 -0.901 -7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.063 -2.590 -7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.978 -1.348 -5.785 1.00 0.00 H new ATOM 1229 N ILE A 81 0.926 0.630 -5.739 1.00 0.00 N ATOM 1230 CA ILE A 81 1.226 2.016 -5.403 1.00 0.00 C ATOM 1231 C ILE A 81 2.401 2.539 -6.222 1.00 0.00 C ATOM 1232 O ILE A 81 2.411 3.696 -6.644 1.00 0.00 O ATOM 1233 CB ILE A 81 1.549 2.173 -3.905 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.356 1.735 -3.054 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.926 3.615 -3.594 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.724 1.391 -1.628 1.00 0.00 C ATOM 0 H ILE A 81 0.691 0.043 -4.939 1.00 0.00 H new ATOM 0 HA ILE A 81 0.335 2.598 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 81 2.398 1.534 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.387 2.533 -3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.113 0.868 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.152 3.711 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.802 3.896 -4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.094 4.272 -3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.171 1.089 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.444 0.572 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.165 2.263 -1.146 1.00 0.00 H new ATOM 1248 N LEU A 82 3.388 1.679 -6.447 1.00 0.00 N ATOM 1249 CA LEU A 82 4.568 2.052 -7.219 1.00 0.00 C ATOM 1250 C LEU A 82 4.289 1.965 -8.716 1.00 0.00 C ATOM 1251 O LEU A 82 4.602 2.886 -9.470 1.00 0.00 O ATOM 1252 CB LEU A 82 5.748 1.150 -6.854 1.00 0.00 C ATOM 1253 CG LEU A 82 6.008 0.958 -5.360 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.063 -0.116 -5.136 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.436 2.270 -4.719 1.00 0.00 C ATOM 0 H LEU A 82 3.395 0.718 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 82 4.820 3.084 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.583 0.170 -7.303 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.649 1.562 -7.309 1.00 0.00 H new ATOM 0 HG LEU A 82 5.081 0.633 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.235 -0.239 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.717 -1.059 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.993 0.180 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.617 2.113 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.350 2.626 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.648 3.012 -4.848 1.00 0.00 H new ATOM 1267 N ARG A 83 3.698 0.853 -9.138 1.00 0.00 N ATOM 1268 CA ARG A 83 3.376 0.645 -10.545 1.00 0.00 C ATOM 1269 C ARG A 83 2.731 1.891 -11.145 1.00 0.00 C ATOM 1270 O ARG A 83 2.839 2.141 -12.345 1.00 0.00 O ATOM 1271 CB ARG A 83 2.440 -0.554 -10.705 1.00 0.00 C ATOM 1272 CG ARG A 83 2.600 -1.280 -12.030 1.00 0.00 C ATOM 1273 CD ARG A 83 2.220 -2.747 -11.912 1.00 0.00 C ATOM 1274 NE ARG A 83 3.361 -3.580 -11.544 1.00 0.00 N ATOM 1275 CZ ARG A 83 4.289 -3.978 -12.407 1.00 0.00 C ATOM 1276 NH1 ARG A 83 4.212 -3.618 -13.681 1.00 0.00 N ATOM 1277 NH2 ARG A 83 5.299 -4.735 -11.996 1.00 0.00 N ATOM 0 H ARG A 83 3.432 0.082 -8.526 1.00 0.00 H new ATOM 0 HA ARG A 83 4.305 0.445 -11.078 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.621 -1.256 -9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.409 -0.214 -10.609 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.977 -0.802 -12.786 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.633 -1.197 -12.369 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.434 -2.859 -11.165 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.810 -3.093 -12.861 1.00 0.00 H new ATOM 0 HE ARG A 83 3.450 -3.872 -10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.439 -3.034 -14.000 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.926 -3.925 -14.342 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.363 -5.012 -11.016 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.011 -5.040 -12.660 1.00 0.00 H new ATOM 1291 N ILE A 84 2.060 2.667 -10.301 1.00 0.00 N ATOM 1292 CA ILE A 84 1.398 3.886 -10.748 1.00 0.00 C ATOM 1293 C ILE A 84 2.377 5.053 -10.806 1.00 0.00 C ATOM 1294 O ILE A 84 2.639 5.606 -11.875 1.00 0.00 O ATOM 1295 CB ILE A 84 0.224 4.261 -9.823 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.714 3.066 -9.645 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.531 5.456 -10.385 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.438 3.060 -8.317 1.00 0.00 C ATOM 0 H ILE A 84 1.960 2.473 -9.304 1.00 0.00 H new ATOM 0 HA ILE A 84 1.013 3.687 -11.748 1.00 0.00 H new ATOM 0 HB ILE A 84 0.622 4.535 -8.846 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.449 3.068 -10.450 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.139 2.145 -9.740 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.357 5.709 -9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.144 6.308 -10.465 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.922 5.208 -11.372 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.085 2.185 -8.259 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.710 3.027 -7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.041 3.964 -8.227 1.00 0.00 H new ATOM 1310 N VAL A 85 2.917 5.425 -9.649 1.00 0.00 N ATOM 1311 CA VAL A 85 3.871 6.524 -9.569 1.00 0.00 C ATOM 1312 C VAL A 85 4.741 6.590 -10.818 1.00 0.00 C ATOM 1313 O VAL A 85 5.002 7.668 -11.349 1.00 0.00 O ATOM 1314 CB VAL A 85 4.778 6.391 -8.330 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.835 7.485 -8.323 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.948 6.431 -7.056 1.00 0.00 C ATOM 0 H VAL A 85 2.710 4.981 -8.755 1.00 0.00 H new ATOM 0 HA VAL A 85 3.289 7.442 -9.487 1.00 0.00 H new ATOM 0 HB VAL A 85 5.287 5.428 -8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.466 7.375 -7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.448 7.404 -9.221 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.349 8.460 -8.302 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.604 6.336 -6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.411 7.378 -7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.233 5.608 -7.061 1.00 0.00 H new ATOM 1326 N GLY A 86 5.188 5.428 -11.284 1.00 0.00 N ATOM 1327 CA GLY A 86 6.024 5.375 -12.468 1.00 0.00 C ATOM 1328 C GLY A 86 5.374 6.035 -13.668 1.00 0.00 C ATOM 1329 O GLY A 86 6.009 6.818 -14.373 1.00 0.00 O ATOM 0 H GLY A 86 4.986 4.522 -10.862 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.975 5.864 -12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.246 4.335 -12.706 1.00 0.00 H new ATOM 1333 N GLU A 87 4.104 5.718 -13.900 1.00 0.00 N ATOM 1334 CA GLU A 87 3.369 6.285 -15.024 1.00 0.00 C ATOM 1335 C GLU A 87 3.054 7.758 -14.781 1.00 0.00 C ATOM 1336 O GLU A 87 3.247 8.599 -15.659 1.00 0.00 O ATOM 1337 CB GLU A 87 2.073 5.507 -15.259 1.00 0.00 C ATOM 1338 CG GLU A 87 0.886 6.053 -14.482 1.00 0.00 C ATOM 1339 CD GLU A 87 -0.387 5.269 -14.734 1.00 0.00 C ATOM 1340 OE1 GLU A 87 -0.322 4.022 -14.763 1.00 0.00 O ATOM 1341 OE2 GLU A 87 -1.450 5.903 -14.903 1.00 0.00 O ATOM 0 H GLU A 87 3.563 5.072 -13.325 1.00 0.00 H new ATOM 0 HA GLU A 87 3.997 6.207 -15.912 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.838 5.522 -16.323 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.230 4.465 -14.982 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.115 6.035 -13.416 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.726 7.096 -14.756 1.00 0.00 H new ATOM 1348 N LEU A 88 2.568 8.063 -13.582 1.00 0.00 N ATOM 1349 CA LEU A 88 2.226 9.434 -13.222 1.00 0.00 C ATOM 1350 C LEU A 88 3.369 10.387 -13.558 1.00 0.00 C ATOM 1351 O LEU A 88 3.142 11.503 -14.025 1.00 0.00 O ATOM 1352 CB LEU A 88 1.895 9.523 -11.731 1.00 0.00 C ATOM 1353 CG LEU A 88 0.935 8.461 -11.192 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.730 8.638 -9.696 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.396 8.524 -11.926 1.00 0.00 C ATOM 0 H LEU A 88 2.402 7.379 -12.844 1.00 0.00 H new ATOM 0 HA LEU A 88 1.350 9.728 -13.801 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.826 9.461 -11.168 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.467 10.506 -11.532 1.00 0.00 H new ATOM 0 HG LEU A 88 1.375 7.479 -11.364 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.044 7.874 -9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.687 8.542 -9.184 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.311 9.625 -9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.067 7.762 -11.530 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.843 9.508 -11.786 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.234 8.347 -12.989 1.00 0.00 H new ATOM 1367 N GLU A 89 4.597 9.938 -13.319 1.00 0.00 N ATOM 1368 CA GLU A 89 5.775 10.751 -13.599 1.00 0.00 C ATOM 1369 C GLU A 89 5.831 11.139 -15.074 1.00 0.00 C ATOM 1370 O GLU A 89 5.797 12.320 -15.417 1.00 0.00 O ATOM 1371 CB GLU A 89 7.047 9.996 -13.210 1.00 0.00 C ATOM 1372 CG GLU A 89 7.486 10.242 -11.776 1.00 0.00 C ATOM 1373 CD GLU A 89 8.648 9.359 -11.362 1.00 0.00 C ATOM 1374 OE1 GLU A 89 9.561 9.155 -12.188 1.00 0.00 O ATOM 1375 OE2 GLU A 89 8.643 8.875 -10.211 1.00 0.00 O ATOM 0 H GLU A 89 4.802 9.017 -12.933 1.00 0.00 H new ATOM 0 HA GLU A 89 5.706 11.662 -13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.884 8.928 -13.353 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.853 10.288 -13.883 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.770 11.288 -11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.644 10.066 -11.107 1.00 0.00 H new ATOM 1382 N GLN A 90 5.919 10.135 -15.940 1.00 0.00 N ATOM 1383 CA GLN A 90 5.981 10.370 -17.377 1.00 0.00 C ATOM 1384 C GLN A 90 4.587 10.594 -17.954 1.00 0.00 C ATOM 1385 O GLN A 90 4.249 10.063 -19.012 1.00 0.00 O ATOM 1386 CB GLN A 90 6.654 9.190 -18.081 1.00 0.00 C ATOM 1387 CG GLN A 90 7.187 9.528 -19.463 1.00 0.00 C ATOM 1388 CD GLN A 90 7.516 8.295 -20.280 1.00 0.00 C ATOM 1389 OE1 GLN A 90 8.667 7.864 -20.341 1.00 0.00 O ATOM 1390 NE2 GLN A 90 6.501 7.718 -20.915 1.00 0.00 N ATOM 0 H GLN A 90 5.949 9.151 -15.671 1.00 0.00 H new ATOM 0 HA GLN A 90 6.573 11.270 -17.546 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.476 8.830 -17.462 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.938 8.373 -18.167 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.448 10.126 -19.997 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.082 10.142 -19.363 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.562 8.109 -20.837 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.661 6.884 -21.480 1.00 0.00 H new ATOM 1399 N MET A 91 3.780 11.382 -17.250 1.00 0.00 N ATOM 1400 CA MET A 91 2.423 11.676 -17.693 1.00 0.00 C ATOM 1401 C MET A 91 2.412 12.844 -18.674 1.00 0.00 C ATOM 1402 O MET A 91 1.673 12.833 -19.659 1.00 0.00 O ATOM 1403 CB MET A 91 1.529 11.994 -16.493 1.00 0.00 C ATOM 1404 CG MET A 91 1.972 13.221 -15.714 1.00 0.00 C ATOM 1405 SD MET A 91 1.229 14.743 -16.332 1.00 0.00 S ATOM 1406 CE MET A 91 -0.022 15.040 -15.086 1.00 0.00 C ATOM 0 H MET A 91 4.043 11.828 -16.371 1.00 0.00 H new ATOM 0 HA MET A 91 2.035 10.794 -18.202 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.507 12.144 -16.841 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.514 11.134 -15.823 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.710 13.094 -14.664 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.058 13.305 -15.763 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.569 15.951 -15.329 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.714 14.198 -15.057 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.454 15.152 -14.112 1.00 0.00 H new ATOM 1416 N SER A 92 3.233 13.851 -18.397 1.00 0.00 N ATOM 1417 CA SER A 92 3.315 15.030 -19.253 1.00 0.00 C ATOM 1418 C SER A 92 3.516 14.629 -20.712 1.00 0.00 C ATOM 1419 O SER A 92 4.046 13.557 -21.005 1.00 0.00 O ATOM 1420 CB SER A 92 4.459 15.937 -18.800 1.00 0.00 C ATOM 1421 OG SER A 92 4.121 16.628 -17.609 1.00 0.00 O ATOM 0 H SER A 92 3.852 13.875 -17.586 1.00 0.00 H new ATOM 0 HA SER A 92 2.375 15.575 -19.170 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.357 15.341 -18.636 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.692 16.654 -19.587 1.00 0.00 H new ATOM 0 HG SER A 92 3.348 16.196 -17.189 1.00 0.00 H new ATOM 1427 N GLY A 93 3.089 15.498 -21.622 1.00 0.00 N ATOM 1428 CA GLY A 93 3.230 15.218 -23.039 1.00 0.00 C ATOM 1429 C GLY A 93 4.123 16.220 -23.742 1.00 0.00 C ATOM 1430 O GLY A 93 5.329 16.017 -23.884 1.00 0.00 O ATOM 0 H GLY A 93 2.648 16.391 -21.404 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.640 14.217 -23.169 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.245 15.223 -23.507 1.00 0.00 H new ATOM 1434 N PRO A 94 3.526 17.331 -24.199 1.00 0.00 N ATOM 1435 CA PRO A 94 4.258 18.391 -24.899 1.00 0.00 C ATOM 1436 C PRO A 94 5.197 19.157 -23.974 1.00 0.00 C ATOM 1437 O PRO A 94 5.012 19.168 -22.757 1.00 0.00 O ATOM 1438 CB PRO A 94 3.146 19.310 -25.412 1.00 0.00 C ATOM 1439 CG PRO A 94 2.006 19.082 -24.480 1.00 0.00 C ATOM 1440 CD PRO A 94 2.093 17.640 -24.065 1.00 0.00 C ATOM 0 HA PRO A 94 4.898 17.992 -25.686 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.460 20.354 -25.405 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.873 19.066 -26.439 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.071 19.742 -23.615 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.054 19.291 -24.969 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.745 17.495 -23.042 1.00 0.00 H new ATOM 0 HD3 PRO A 94 1.483 17.001 -24.703 1.00 0.00 H new ATOM 1448 N SER A 95 6.205 19.798 -24.559 1.00 0.00 N ATOM 1449 CA SER A 95 7.175 20.565 -23.786 1.00 0.00 C ATOM 1450 C SER A 95 8.003 21.466 -24.695 1.00 0.00 C ATOM 1451 O SER A 95 8.337 21.093 -25.820 1.00 0.00 O ATOM 1452 CB SER A 95 8.095 19.623 -23.006 1.00 0.00 C ATOM 1453 OG SER A 95 9.064 20.350 -22.271 1.00 0.00 O ATOM 0 H SER A 95 6.371 19.801 -25.565 1.00 0.00 H new ATOM 0 HA SER A 95 6.628 21.193 -23.082 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.502 19.011 -22.326 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.593 18.942 -23.696 1.00 0.00 H new ATOM 0 HG SER A 95 9.638 19.726 -21.780 1.00 0.00 H new ATOM 1459 N SER A 96 8.332 22.655 -24.200 1.00 0.00 N ATOM 1460 CA SER A 96 9.119 23.613 -24.968 1.00 0.00 C ATOM 1461 C SER A 96 10.605 23.469 -24.657 1.00 0.00 C ATOM 1462 O SER A 96 11.036 23.667 -23.522 1.00 0.00 O ATOM 1463 CB SER A 96 8.659 25.040 -24.666 1.00 0.00 C ATOM 1464 OG SER A 96 7.261 25.175 -24.851 1.00 0.00 O ATOM 0 H SER A 96 8.066 22.978 -23.270 1.00 0.00 H new ATOM 0 HA SER A 96 8.966 23.406 -26.027 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.920 25.300 -23.640 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.184 25.740 -25.316 1.00 0.00 H new ATOM 0 HG SER A 96 6.992 26.096 -24.650 1.00 0.00 H new ATOM 1470 N GLY A 97 11.386 23.120 -25.675 1.00 0.00 N ATOM 1471 CA GLY A 97 12.815 22.954 -25.492 1.00 0.00 C ATOM 1472 C GLY A 97 13.611 24.117 -26.051 1.00 0.00 C ATOM 1473 O GLY A 97 14.808 24.239 -25.794 1.00 0.00 O ATOM 0 H GLY A 97 11.053 22.949 -26.624 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.032 22.847 -24.429 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.135 22.032 -25.977 1.00 0.00 H new TER 1477 GLY A 97