USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -16.6! C(o=-31!,f=-34!) USER MOD Set 1.2: A 105 HEM CMC :methyl 150:sc= -14! (180deg=-8.24!) USER MOD Set 2.1: A 75 SER OG : rot -121:sc= -0.224! USER MOD Set 2.2: A 105 HEM CMB :methyl -30:sc= -5.64! (180deg=-8.2!) USER MOD Set 3.1: A 30 HIS : no HD1:sc= -14.8! C(o=-16!,f=-16!) USER MOD Set 3.2: A 34 TYR OH : rot 40:sc= -0.946 USER MOD Set 4.1: A 25 THR OG1 : rot -50:sc= 1.37 USER MOD Set 4.2: A 37 THR OG1 : rot -7:sc= 0.749 USER MOD Set 5.1: A 19 HIS : no HD1:sc= -24.7! C(o=-26!,f=-33!) USER MOD Set 5.2: A 24 SER OG : rot -75:sc= -1.78! USER MOD Single : A 1 ALA N :NH3+ 171:sc= 0 (180deg=-0.0776) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 62:sc= 0.559 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -123:sc= 1.16 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.237 USER MOD Single : A 17 GLN : amide:sc= -0.41 K(o=-0.41,f=-3.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -4.69! C(o=-4.7!,f=-3.3!) USER MOD Single : A 21 ASN : amide:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -112:sc= -4.58! (180deg=-5.46!) USER MOD Single : A 43 HIS : no HE2:sc= -21.6! C(o=-22!,f=-30!) USER MOD Single : A 59 THR OG1 : rot 116:sc= -1.26! USER MOD Single : A 61 ASN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 68 SER OG : rot -100:sc= 0.357 USER MOD Single : A 69 THR OG1 : rot 30:sc= 0.916 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -10.1! C(o=-10!,f=-11!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -3.02! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.716 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -7.07! (180deg=-7.07!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.198) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 29.061 -1.424 -37.781 1.00 0.00 N ATOM 2 CA ALA A 1 29.419 -0.095 -37.318 1.00 0.00 C ATOM 3 C ALA A 1 28.146 0.672 -36.951 1.00 0.00 C ATOM 4 O ALA A 1 27.958 1.810 -37.376 1.00 0.00 O ATOM 5 CB ALA A 1 30.237 0.619 -38.397 1.00 0.00 C ATOM 0 H1 ALA A 1 29.902 -1.893 -38.173 1.00 0.00 H new ATOM 0 H2 ALA A 1 28.693 -1.982 -36.984 1.00 0.00 H new ATOM 0 H3 ALA A 1 28.331 -1.350 -38.518 1.00 0.00 H new ATOM 0 HA ALA A 1 30.039 -0.155 -36.424 1.00 0.00 H new ATOM 0 HB1 ALA A 1 30.506 1.617 -38.049 1.00 0.00 H new ATOM 0 HB2 ALA A 1 31.144 0.050 -38.602 1.00 0.00 H new ATOM 0 HB3 ALA A 1 29.645 0.700 -39.309 1.00 0.00 H new ATOM 11 N GLU A 2 27.307 0.017 -36.162 1.00 0.00 N ATOM 12 CA GLU A 2 26.058 0.622 -35.731 1.00 0.00 C ATOM 13 C GLU A 2 25.379 -0.253 -34.677 1.00 0.00 C ATOM 14 O GLU A 2 25.807 -1.380 -34.432 1.00 0.00 O ATOM 15 CB GLU A 2 25.129 0.867 -36.923 1.00 0.00 C ATOM 16 CG GLU A 2 24.187 2.041 -36.650 1.00 0.00 C ATOM 17 CD GLU A 2 24.199 3.035 -37.813 1.00 0.00 C ATOM 18 OE1 GLU A 2 25.316 3.420 -38.219 1.00 0.00 O ATOM 19 OE2 GLU A 2 23.090 3.389 -38.270 1.00 0.00 O ATOM 0 H GLU A 2 27.468 -0.927 -35.810 1.00 0.00 H new ATOM 0 HA GLU A 2 26.281 1.589 -35.281 1.00 0.00 H new ATOM 0 HB2 GLU A 2 25.722 1.071 -37.815 1.00 0.00 H new ATOM 0 HB3 GLU A 2 24.547 -0.032 -37.126 1.00 0.00 H new ATOM 0 HG2 GLU A 2 23.174 1.670 -36.494 1.00 0.00 H new ATOM 0 HG3 GLU A 2 24.486 2.546 -35.732 1.00 0.00 H new ATOM 26 N GLU A 3 24.332 0.297 -34.081 1.00 0.00 N ATOM 27 CA GLU A 3 23.590 -0.420 -33.058 1.00 0.00 C ATOM 28 C GLU A 3 22.424 0.432 -32.552 1.00 0.00 C ATOM 29 O GLU A 3 22.462 1.658 -32.644 1.00 0.00 O ATOM 30 CB GLU A 3 24.506 -0.834 -31.905 1.00 0.00 C ATOM 31 CG GLU A 3 24.703 -2.352 -31.880 1.00 0.00 C ATOM 32 CD GLU A 3 25.179 -2.819 -30.503 1.00 0.00 C ATOM 33 OE1 GLU A 3 24.304 -3.006 -29.632 1.00 0.00 O ATOM 34 OE2 GLU A 3 26.410 -2.980 -30.353 1.00 0.00 O ATOM 0 H GLU A 3 23.979 1.232 -34.287 1.00 0.00 H new ATOM 0 HA GLU A 3 23.185 -1.329 -33.502 1.00 0.00 H new ATOM 0 HB2 GLU A 3 25.472 -0.340 -32.008 1.00 0.00 H new ATOM 0 HB3 GLU A 3 24.078 -0.503 -30.959 1.00 0.00 H new ATOM 0 HG2 GLU A 3 23.766 -2.848 -32.133 1.00 0.00 H new ATOM 0 HG3 GLU A 3 25.431 -2.641 -32.638 1.00 0.00 H new ATOM 41 N SER A 4 21.416 -0.251 -32.032 1.00 0.00 N ATOM 42 CA SER A 4 20.241 0.427 -31.512 1.00 0.00 C ATOM 43 C SER A 4 19.190 -0.600 -31.083 1.00 0.00 C ATOM 44 O SER A 4 19.148 -1.708 -31.615 1.00 0.00 O ATOM 45 CB SER A 4 19.654 1.386 -32.550 1.00 0.00 C ATOM 46 OG SER A 4 19.624 2.730 -32.078 1.00 0.00 O ATOM 0 H SER A 4 21.388 -1.268 -31.959 1.00 0.00 H new ATOM 0 HA SER A 4 20.541 1.014 -30.644 1.00 0.00 H new ATOM 0 HB2 SER A 4 20.245 1.336 -33.465 1.00 0.00 H new ATOM 0 HB3 SER A 4 18.643 1.069 -32.806 1.00 0.00 H new ATOM 0 HG SER A 4 19.244 3.311 -32.770 1.00 0.00 H new ATOM 52 N SER A 5 18.368 -0.193 -30.127 1.00 0.00 N ATOM 53 CA SER A 5 17.320 -1.063 -29.621 1.00 0.00 C ATOM 54 C SER A 5 16.592 -0.386 -28.458 1.00 0.00 C ATOM 55 O SER A 5 17.174 0.436 -27.752 1.00 0.00 O ATOM 56 CB SER A 5 17.892 -2.412 -29.177 1.00 0.00 C ATOM 57 OG SER A 5 17.617 -3.446 -30.119 1.00 0.00 O ATOM 0 H SER A 5 18.406 0.728 -29.689 1.00 0.00 H new ATOM 0 HA SER A 5 16.609 -1.247 -30.427 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.970 -2.322 -29.042 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.471 -2.683 -28.209 1.00 0.00 H new ATOM 0 HG SER A 5 18.039 -3.228 -30.976 1.00 0.00 H new ATOM 63 N LYS A 6 15.332 -0.756 -28.296 1.00 0.00 N ATOM 64 CA LYS A 6 14.518 -0.193 -27.232 1.00 0.00 C ATOM 65 C LYS A 6 13.164 -0.906 -27.199 1.00 0.00 C ATOM 66 O LYS A 6 12.291 -0.623 -28.019 1.00 0.00 O ATOM 67 CB LYS A 6 14.411 1.326 -27.382 1.00 0.00 C ATOM 68 CG LYS A 6 14.568 2.024 -26.031 1.00 0.00 C ATOM 69 CD LYS A 6 15.222 3.397 -26.195 1.00 0.00 C ATOM 70 CE LYS A 6 16.080 3.745 -24.977 1.00 0.00 C ATOM 71 NZ LYS A 6 16.908 4.941 -25.253 1.00 0.00 N ATOM 0 H LYS A 6 14.854 -1.439 -28.883 1.00 0.00 H new ATOM 0 HA LYS A 6 14.990 -0.360 -26.264 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.178 1.682 -28.070 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.446 1.585 -27.819 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.591 2.137 -25.560 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.173 1.406 -25.367 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.839 3.405 -27.093 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.452 4.157 -26.331 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.440 3.929 -24.114 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.722 2.901 -24.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.485 5.164 -24.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.532 4.752 -26.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.290 5.748 -25.473 1.00 0.00 H new ATOM 85 N ALA A 7 13.031 -1.813 -26.245 1.00 0.00 N ATOM 86 CA ALA A 7 11.798 -2.568 -26.096 1.00 0.00 C ATOM 87 C ALA A 7 11.962 -3.588 -24.968 1.00 0.00 C ATOM 88 O ALA A 7 12.031 -4.790 -25.219 1.00 0.00 O ATOM 89 CB ALA A 7 11.436 -3.224 -27.429 1.00 0.00 C ATOM 0 H ALA A 7 13.757 -2.043 -25.566 1.00 0.00 H new ATOM 0 HA ALA A 7 10.974 -1.908 -25.825 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.511 -3.790 -27.317 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.300 -2.454 -28.188 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.238 -3.896 -27.733 1.00 0.00 H new ATOM 95 N VAL A 8 12.021 -3.072 -23.749 1.00 0.00 N ATOM 96 CA VAL A 8 12.176 -3.924 -22.582 1.00 0.00 C ATOM 97 C VAL A 8 11.526 -5.282 -22.857 1.00 0.00 C ATOM 98 O VAL A 8 12.200 -6.310 -22.847 1.00 0.00 O ATOM 99 CB VAL A 8 11.604 -3.227 -21.346 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.867 -1.942 -21.732 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.691 -4.168 -20.559 1.00 0.00 C ATOM 0 H VAL A 8 11.964 -2.074 -23.544 1.00 0.00 H new ATOM 0 HA VAL A 8 13.231 -4.104 -22.378 1.00 0.00 H new ATOM 0 HB VAL A 8 12.438 -2.953 -20.700 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.470 -1.467 -20.835 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.559 -1.261 -22.228 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.047 -2.182 -22.408 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.298 -3.648 -19.686 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.864 -4.488 -21.193 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.259 -5.040 -20.236 1.00 0.00 H new ATOM 111 N LYS A 9 10.224 -5.241 -23.098 1.00 0.00 N ATOM 112 CA LYS A 9 9.476 -6.455 -23.374 1.00 0.00 C ATOM 113 C LYS A 9 9.069 -7.111 -22.053 1.00 0.00 C ATOM 114 O LYS A 9 7.913 -7.491 -21.875 1.00 0.00 O ATOM 115 CB LYS A 9 10.274 -7.377 -24.298 1.00 0.00 C ATOM 116 CG LYS A 9 9.379 -7.968 -25.391 1.00 0.00 C ATOM 117 CD LYS A 9 10.156 -8.959 -26.258 1.00 0.00 C ATOM 118 CE LYS A 9 9.266 -9.536 -27.362 1.00 0.00 C ATOM 119 NZ LYS A 9 9.865 -10.769 -27.919 1.00 0.00 N ATOM 0 H LYS A 9 9.668 -4.386 -23.108 1.00 0.00 H new ATOM 0 HA LYS A 9 8.556 -6.222 -23.910 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.092 -6.820 -24.755 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.722 -8.182 -23.716 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.525 -8.469 -24.935 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.983 -7.167 -26.014 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.017 -8.461 -26.703 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.541 -9.767 -25.637 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.276 -9.754 -26.962 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.135 -8.799 -28.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.249 -11.147 -28.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.800 -10.551 -28.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.968 -11.477 -27.164 1.00 0.00 H new ATOM 133 N TYR A 10 10.041 -7.224 -21.162 1.00 0.00 N ATOM 134 CA TYR A 10 9.799 -7.826 -19.862 1.00 0.00 C ATOM 135 C TYR A 10 10.452 -7.008 -18.747 1.00 0.00 C ATOM 136 O TYR A 10 11.648 -6.728 -18.796 1.00 0.00 O ATOM 137 CB TYR A 10 10.450 -9.210 -19.911 1.00 0.00 C ATOM 138 CG TYR A 10 11.314 -9.448 -21.151 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.449 -8.690 -21.357 1.00 0.00 C ATOM 140 CD2 TYR A 10 10.958 -10.420 -22.065 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.262 -8.914 -22.524 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.770 -10.642 -23.232 1.00 0.00 C ATOM 143 CZ TYR A 10 12.883 -9.879 -23.404 1.00 0.00 C ATOM 144 OH TYR A 10 13.650 -10.090 -24.507 1.00 0.00 O ATOM 0 H TYR A 10 10.999 -6.909 -21.314 1.00 0.00 H new ATOM 0 HA TYR A 10 8.730 -7.873 -19.655 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.065 -9.342 -19.021 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.669 -9.969 -19.874 1.00 0.00 H new ATOM 0 HD1 TYR A 10 12.727 -7.929 -20.643 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.070 -11.014 -21.904 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.153 -8.329 -22.697 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.502 -11.398 -23.955 1.00 0.00 H new ATOM 0 HH TYR A 10 13.259 -10.810 -25.045 1.00 0.00 H new ATOM 154 N TYR A 11 9.637 -6.648 -17.766 1.00 0.00 N ATOM 155 CA TYR A 11 10.119 -5.867 -16.640 1.00 0.00 C ATOM 156 C TYR A 11 9.597 -6.430 -15.317 1.00 0.00 C ATOM 157 O TYR A 11 8.728 -7.301 -15.309 1.00 0.00 O ATOM 158 CB TYR A 11 9.563 -4.455 -16.835 1.00 0.00 C ATOM 159 CG TYR A 11 10.637 -3.389 -17.063 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.878 -3.524 -16.478 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.363 -2.293 -17.856 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.889 -2.521 -16.692 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.373 -1.290 -18.069 1.00 0.00 C ATOM 164 CZ TYR A 11 12.586 -1.453 -17.476 1.00 0.00 C ATOM 165 OH TYR A 11 13.540 -0.505 -17.680 1.00 0.00 O ATOM 0 H TYR A 11 8.645 -6.883 -17.728 1.00 0.00 H new ATOM 0 HA TYR A 11 11.208 -5.885 -16.600 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.882 -4.458 -17.686 1.00 0.00 H new ATOM 0 HB3 TYR A 11 8.976 -4.183 -15.958 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.092 -4.383 -15.859 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.392 -2.188 -18.316 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.865 -2.615 -16.240 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.172 -0.427 -18.686 1.00 0.00 H new ATOM 0 HH TYR A 11 13.197 0.370 -17.401 1.00 0.00 H new ATOM 175 N THR A 12 10.148 -5.909 -14.230 1.00 0.00 N ATOM 176 CA THR A 12 9.746 -6.349 -12.905 1.00 0.00 C ATOM 177 C THR A 12 8.922 -5.265 -12.209 1.00 0.00 C ATOM 178 O THR A 12 9.091 -4.077 -12.486 1.00 0.00 O ATOM 179 CB THR A 12 11.009 -6.740 -12.133 1.00 0.00 C ATOM 180 OG1 THR A 12 11.688 -5.504 -11.932 1.00 0.00 O ATOM 181 CG2 THR A 12 11.980 -7.565 -12.980 1.00 0.00 C ATOM 0 H THR A 12 10.869 -5.187 -14.240 1.00 0.00 H new ATOM 0 HA THR A 12 9.096 -7.222 -12.960 1.00 0.00 H new ATOM 0 HB THR A 12 10.731 -7.306 -11.244 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.518 -5.664 -11.437 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.859 -7.816 -12.386 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.489 -8.482 -13.307 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.285 -6.986 -13.852 1.00 0.00 H new ATOM 189 N LEU A 13 8.047 -5.709 -11.319 1.00 0.00 N ATOM 190 CA LEU A 13 7.196 -4.791 -10.582 1.00 0.00 C ATOM 191 C LEU A 13 8.037 -3.619 -10.074 1.00 0.00 C ATOM 192 O LEU A 13 7.580 -2.476 -10.073 1.00 0.00 O ATOM 193 CB LEU A 13 6.441 -5.530 -9.476 1.00 0.00 C ATOM 194 CG LEU A 13 4.987 -5.896 -9.785 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.273 -6.409 -8.533 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.250 -4.718 -10.425 1.00 0.00 C ATOM 0 H LEU A 13 7.909 -6.694 -11.091 1.00 0.00 H new ATOM 0 HA LEU A 13 6.430 -4.375 -11.236 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.984 -6.446 -9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.456 -4.913 -8.578 1.00 0.00 H new ATOM 0 HG LEU A 13 4.985 -6.709 -10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.242 -6.662 -8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.785 -7.296 -8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.283 -5.635 -7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.219 -5.004 -10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.259 -3.869 -9.742 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.746 -4.441 -11.355 1.00 0.00 H new ATOM 208 N GLU A 14 9.252 -3.941 -9.655 1.00 0.00 N ATOM 209 CA GLU A 14 10.161 -2.928 -9.146 1.00 0.00 C ATOM 210 C GLU A 14 10.530 -1.940 -10.255 1.00 0.00 C ATOM 211 O GLU A 14 10.379 -0.731 -10.089 1.00 0.00 O ATOM 212 CB GLU A 14 11.413 -3.569 -8.544 1.00 0.00 C ATOM 213 CG GLU A 14 11.519 -3.267 -7.048 1.00 0.00 C ATOM 214 CD GLU A 14 10.756 -4.307 -6.225 1.00 0.00 C ATOM 215 OE1 GLU A 14 9.537 -4.441 -6.467 1.00 0.00 O ATOM 216 OE2 GLU A 14 11.409 -4.945 -5.370 1.00 0.00 O ATOM 0 H GLU A 14 9.628 -4.889 -9.658 1.00 0.00 H new ATOM 0 HA GLU A 14 9.655 -2.379 -8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.384 -4.647 -8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.299 -3.196 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.567 -3.258 -6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.121 -2.273 -6.845 1.00 0.00 H new ATOM 223 N GLU A 15 11.005 -2.492 -11.361 1.00 0.00 N ATOM 224 CA GLU A 15 11.398 -1.675 -12.497 1.00 0.00 C ATOM 225 C GLU A 15 10.284 -0.686 -12.848 1.00 0.00 C ATOM 226 O GLU A 15 10.554 0.460 -13.202 1.00 0.00 O ATOM 227 CB GLU A 15 11.758 -2.546 -13.702 1.00 0.00 C ATOM 228 CG GLU A 15 13.136 -3.188 -13.522 1.00 0.00 C ATOM 229 CD GLU A 15 14.249 -2.215 -13.913 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.070 -1.009 -13.640 1.00 0.00 O ATOM 231 OE2 GLU A 15 15.254 -2.701 -14.477 1.00 0.00 O ATOM 0 H GLU A 15 11.127 -3.496 -11.495 1.00 0.00 H new ATOM 0 HA GLU A 15 12.288 -1.109 -12.222 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.005 -3.323 -13.832 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.750 -1.940 -14.608 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.265 -3.496 -12.484 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.204 -4.088 -14.132 1.00 0.00 H new ATOM 238 N ILE A 16 9.054 -1.167 -12.738 1.00 0.00 N ATOM 239 CA ILE A 16 7.897 -0.341 -13.040 1.00 0.00 C ATOM 240 C ILE A 16 7.629 0.602 -11.867 1.00 0.00 C ATOM 241 O ILE A 16 7.193 1.736 -12.062 1.00 0.00 O ATOM 242 CB ILE A 16 6.698 -1.213 -13.414 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.124 -2.371 -14.320 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.584 -0.373 -14.044 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.509 -3.691 -13.847 1.00 0.00 C ATOM 0 H ILE A 16 8.834 -2.118 -12.444 1.00 0.00 H new ATOM 0 HA ILE A 16 8.092 0.282 -13.913 1.00 0.00 H new ATOM 0 HB ILE A 16 6.295 -1.650 -12.500 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.815 -2.168 -15.345 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.211 -2.453 -14.325 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.743 -1.017 -14.301 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.256 0.387 -13.335 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.959 0.111 -14.946 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.827 -4.498 -14.507 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.840 -3.903 -12.830 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.422 -3.614 -13.866 1.00 0.00 H new ATOM 257 N GLN A 17 7.901 0.100 -10.671 1.00 0.00 N ATOM 258 CA GLN A 17 7.695 0.882 -9.465 1.00 0.00 C ATOM 259 C GLN A 17 8.645 2.082 -9.441 1.00 0.00 C ATOM 260 O GLN A 17 8.273 3.163 -8.991 1.00 0.00 O ATOM 261 CB GLN A 17 7.870 0.019 -8.214 1.00 0.00 C ATOM 262 CG GLN A 17 6.918 0.465 -7.102 1.00 0.00 C ATOM 263 CD GLN A 17 7.682 0.763 -5.811 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.891 0.616 -5.727 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.913 1.187 -4.813 1.00 0.00 N ATOM 0 H GLN A 17 8.263 -0.840 -10.512 1.00 0.00 H new ATOM 0 HA GLN A 17 6.671 1.254 -9.468 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.683 -1.026 -8.460 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.900 0.085 -7.864 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.374 1.354 -7.420 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.177 -0.314 -6.919 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.907 1.288 -4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.329 1.412 -3.909 1.00 0.00 H new ATOM 274 N LYS A 18 9.853 1.848 -9.932 1.00 0.00 N ATOM 275 CA LYS A 18 10.859 2.895 -9.973 1.00 0.00 C ATOM 276 C LYS A 18 10.439 3.961 -10.987 1.00 0.00 C ATOM 277 O LYS A 18 10.747 5.139 -10.817 1.00 0.00 O ATOM 278 CB LYS A 18 12.243 2.300 -10.245 1.00 0.00 C ATOM 279 CG LYS A 18 12.581 1.214 -9.221 1.00 0.00 C ATOM 280 CD LYS A 18 13.194 1.824 -7.958 1.00 0.00 C ATOM 281 CE LYS A 18 14.491 2.566 -8.281 1.00 0.00 C ATOM 282 NZ LYS A 18 14.384 3.991 -7.891 1.00 0.00 N ATOM 0 H LYS A 18 10.158 0.949 -10.305 1.00 0.00 H new ATOM 0 HA LYS A 18 10.934 3.388 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.271 1.879 -11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.996 3.088 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.679 0.661 -8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.278 0.500 -9.659 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.483 2.511 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.393 1.038 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.324 2.100 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.705 2.490 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.273 4.481 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.602 4.436 -8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.202 4.059 -6.869 1.00 0.00 H new ATOM 296 N HIS A 19 9.743 3.509 -12.018 1.00 0.00 N ATOM 297 CA HIS A 19 9.278 4.408 -13.061 1.00 0.00 C ATOM 298 C HIS A 19 7.894 4.946 -12.693 1.00 0.00 C ATOM 299 O HIS A 19 6.877 4.374 -13.084 1.00 0.00 O ATOM 300 CB HIS A 19 9.303 3.718 -14.426 1.00 0.00 C ATOM 301 CG HIS A 19 10.662 3.708 -15.084 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.879 4.193 -16.362 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.870 3.269 -14.628 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.164 4.045 -16.653 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.775 3.471 -15.577 1.00 0.00 N ATOM 0 H HIS A 19 9.489 2.531 -12.154 1.00 0.00 H new ATOM 0 HA HIS A 19 9.953 5.260 -13.139 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.960 2.690 -14.308 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.594 4.217 -15.087 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.058 2.831 -13.659 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.643 4.329 -17.579 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.765 3.236 -15.513 1.00 0.00 H new ATOM 314 N ASN A 20 7.898 6.040 -11.946 1.00 0.00 N ATOM 315 CA ASN A 20 6.655 6.662 -11.521 1.00 0.00 C ATOM 316 C ASN A 20 6.734 8.170 -11.767 1.00 0.00 C ATOM 317 O ASN A 20 6.039 8.946 -11.112 1.00 0.00 O ATOM 318 CB ASN A 20 6.410 6.438 -10.028 1.00 0.00 C ATOM 319 CG ASN A 20 5.368 7.422 -9.490 1.00 0.00 C ATOM 320 OD1 ASN A 20 5.584 8.121 -8.514 1.00 0.00 O ATOM 321 ND2 ASN A 20 4.233 7.437 -10.180 1.00 0.00 N ATOM 0 H ASN A 20 8.743 6.512 -11.624 1.00 0.00 H new ATOM 0 HA ASN A 20 5.841 6.214 -12.091 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.071 5.416 -9.861 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.345 6.557 -9.480 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.475 8.061 -9.902 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.119 6.825 -10.988 1.00 0.00 H new ATOM 328 N ASN A 21 7.587 8.540 -12.711 1.00 0.00 N ATOM 329 CA ASN A 21 7.766 9.942 -13.051 1.00 0.00 C ATOM 330 C ASN A 21 7.035 10.241 -14.360 1.00 0.00 C ATOM 331 O ASN A 21 6.738 9.331 -15.132 1.00 0.00 O ATOM 332 CB ASN A 21 9.247 10.276 -13.247 1.00 0.00 C ATOM 333 CG ASN A 21 10.081 9.793 -12.058 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.812 10.106 -10.910 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.105 9.016 -12.396 1.00 0.00 N ATOM 0 H ASN A 21 8.162 7.893 -13.251 1.00 0.00 H new ATOM 0 HA ASN A 21 7.367 10.542 -12.233 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.610 9.811 -14.163 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.368 11.353 -13.367 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.722 8.643 -11.675 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.274 8.793 -13.377 1.00 0.00 H new ATOM 342 N SER A 22 6.767 11.522 -14.572 1.00 0.00 N ATOM 343 CA SER A 22 6.077 11.953 -15.776 1.00 0.00 C ATOM 344 C SER A 22 7.039 11.938 -16.965 1.00 0.00 C ATOM 345 O SER A 22 6.737 12.494 -18.019 1.00 0.00 O ATOM 346 CB SER A 22 5.475 13.348 -15.595 1.00 0.00 C ATOM 347 OG SER A 22 6.455 14.303 -15.194 1.00 0.00 O ATOM 0 H SER A 22 7.015 12.275 -13.930 1.00 0.00 H new ATOM 0 HA SER A 22 5.261 11.257 -15.971 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.016 13.669 -16.530 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.682 13.307 -14.849 1.00 0.00 H new ATOM 0 HG SER A 22 6.033 15.181 -15.090 1.00 0.00 H new ATOM 353 N LYS A 23 8.180 11.298 -16.753 1.00 0.00 N ATOM 354 CA LYS A 23 9.189 11.203 -17.795 1.00 0.00 C ATOM 355 C LYS A 23 9.444 9.731 -18.121 1.00 0.00 C ATOM 356 O LYS A 23 10.155 9.416 -19.074 1.00 0.00 O ATOM 357 CB LYS A 23 10.448 11.971 -17.390 1.00 0.00 C ATOM 358 CG LYS A 23 10.832 12.996 -18.460 1.00 0.00 C ATOM 359 CD LYS A 23 11.707 12.361 -19.541 1.00 0.00 C ATOM 360 CE LYS A 23 11.115 12.595 -20.933 1.00 0.00 C ATOM 361 NZ LYS A 23 12.142 12.373 -21.976 1.00 0.00 N ATOM 0 H LYS A 23 8.428 10.840 -15.876 1.00 0.00 H new ATOM 0 HA LYS A 23 8.836 11.675 -18.712 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.280 12.478 -16.440 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.271 11.273 -17.238 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.931 13.408 -18.913 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.365 13.827 -17.998 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.712 12.781 -19.494 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.800 11.291 -19.357 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.273 11.922 -21.094 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.729 13.612 -21.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.724 12.536 -22.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.933 13.032 -21.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.491 11.395 -21.917 1.00 0.00 H new ATOM 375 N SER A 24 8.849 8.867 -17.310 1.00 0.00 N ATOM 376 CA SER A 24 9.003 7.434 -17.501 1.00 0.00 C ATOM 377 C SER A 24 7.802 6.696 -16.907 1.00 0.00 C ATOM 378 O SER A 24 7.888 5.508 -16.600 1.00 0.00 O ATOM 379 CB SER A 24 10.302 6.932 -16.866 1.00 0.00 C ATOM 380 OG SER A 24 11.102 6.204 -17.795 1.00 0.00 O ATOM 0 H SER A 24 8.260 9.132 -16.520 1.00 0.00 H new ATOM 0 HA SER A 24 9.052 7.233 -18.571 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.870 7.780 -16.484 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.067 6.296 -16.013 1.00 0.00 H new ATOM 0 HG SER A 24 10.716 5.314 -17.932 1.00 0.00 H new ATOM 386 N THR A 25 6.708 7.430 -16.764 1.00 0.00 N ATOM 387 CA THR A 25 5.491 6.858 -16.213 1.00 0.00 C ATOM 388 C THR A 25 5.294 5.430 -16.723 1.00 0.00 C ATOM 389 O THR A 25 4.882 5.225 -17.864 1.00 0.00 O ATOM 390 CB THR A 25 4.331 7.793 -16.561 1.00 0.00 C ATOM 391 OG1 THR A 25 4.942 9.075 -16.682 1.00 0.00 O ATOM 392 CG2 THR A 25 3.344 7.959 -15.403 1.00 0.00 C ATOM 0 H THR A 25 6.639 8.415 -17.020 1.00 0.00 H new ATOM 0 HA THR A 25 5.548 6.776 -15.128 1.00 0.00 H new ATOM 0 HB THR A 25 3.805 7.408 -17.434 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.501 9.247 -15.895 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.541 8.632 -15.703 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.925 6.988 -15.140 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.863 8.376 -14.540 1.00 0.00 H new ATOM 400 N TRP A 26 5.596 4.478 -15.852 1.00 0.00 N ATOM 401 CA TRP A 26 5.457 3.075 -16.199 1.00 0.00 C ATOM 402 C TRP A 26 4.397 2.464 -15.280 1.00 0.00 C ATOM 403 O TRP A 26 4.384 2.728 -14.079 1.00 0.00 O ATOM 404 CB TRP A 26 6.805 2.354 -16.118 1.00 0.00 C ATOM 405 CG TRP A 26 7.787 2.750 -17.223 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.579 3.574 -18.258 1.00 0.00 C ATOM 407 CD2 TRP A 26 9.152 2.302 -17.358 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.703 3.689 -19.048 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.691 2.892 -18.484 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.908 1.428 -16.557 1.00 0.00 C ATOM 411 CZ2 TRP A 26 11.007 2.670 -18.910 1.00 0.00 C ATOM 412 CZ3 TRP A 26 11.220 1.217 -16.996 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.777 1.802 -18.127 1.00 0.00 C ATOM 0 H TRP A 26 5.937 4.652 -14.906 1.00 0.00 H new ATOM 0 HA TRP A 26 5.129 2.964 -17.232 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.260 2.562 -15.150 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.634 1.279 -16.165 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.647 4.085 -18.450 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.793 4.255 -19.892 1.00 0.00 H new ATOM 0 HE3 TRP A 26 9.507 0.956 -15.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.406 3.143 -19.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 11.843 0.553 -16.415 1.00 0.00 H new ATOM 0 HH2 TRP A 26 12.800 1.588 -18.401 1.00 0.00 H new ATOM 424 N LEU A 27 3.534 1.656 -15.880 1.00 0.00 N ATOM 425 CA LEU A 27 2.474 1.004 -15.131 1.00 0.00 C ATOM 426 C LEU A 27 2.199 -0.374 -15.738 1.00 0.00 C ATOM 427 O LEU A 27 2.710 -0.698 -16.809 1.00 0.00 O ATOM 428 CB LEU A 27 1.237 1.902 -15.063 1.00 0.00 C ATOM 429 CG LEU A 27 0.222 1.735 -16.195 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.928 1.559 -17.542 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.746 0.588 -15.900 1.00 0.00 C ATOM 0 H LEU A 27 3.548 1.439 -16.876 1.00 0.00 H new ATOM 0 HA LEU A 27 2.782 0.843 -14.098 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.729 1.716 -14.117 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.567 2.941 -15.049 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.372 2.647 -16.259 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.184 1.442 -18.330 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.541 2.436 -17.749 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.562 0.673 -17.507 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.457 0.491 -16.721 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.187 -0.342 -15.793 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.285 0.796 -14.976 1.00 0.00 H new ATOM 443 N ILE A 28 1.395 -1.148 -15.026 1.00 0.00 N ATOM 444 CA ILE A 28 1.046 -2.483 -15.480 1.00 0.00 C ATOM 445 C ILE A 28 -0.434 -2.517 -15.867 1.00 0.00 C ATOM 446 O ILE A 28 -1.282 -2.007 -15.135 1.00 0.00 O ATOM 447 CB ILE A 28 1.429 -3.525 -14.426 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.453 -2.956 -13.441 1.00 0.00 C ATOM 449 CG2 ILE A 28 1.923 -4.816 -15.085 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.880 -3.160 -13.954 1.00 0.00 C ATOM 0 H ILE A 28 0.975 -0.876 -14.137 1.00 0.00 H new ATOM 0 HA ILE A 28 1.615 -2.741 -16.373 1.00 0.00 H new ATOM 0 HB ILE A 28 0.536 -3.777 -13.854 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.266 -1.893 -13.290 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.339 -3.441 -12.471 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.189 -5.539 -14.314 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.134 -5.229 -15.714 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.799 -4.600 -15.697 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.588 -2.747 -13.235 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.072 -4.225 -14.081 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.998 -2.653 -14.912 1.00 0.00 H new ATOM 462 N LEU A 29 -0.699 -3.122 -17.014 1.00 0.00 N ATOM 463 CA LEU A 29 -2.062 -3.228 -17.507 1.00 0.00 C ATOM 464 C LEU A 29 -2.324 -4.665 -17.965 1.00 0.00 C ATOM 465 O LEU A 29 -1.711 -5.136 -18.921 1.00 0.00 O ATOM 466 CB LEU A 29 -2.324 -2.180 -18.590 1.00 0.00 C ATOM 467 CG LEU A 29 -3.615 -1.371 -18.443 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.050 -0.784 -19.787 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.718 -2.213 -17.798 1.00 0.00 C ATOM 0 H LEU A 29 0.007 -3.544 -17.617 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.773 -3.012 -16.709 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.484 -1.486 -18.607 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.342 -2.682 -19.557 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.420 -0.532 -17.775 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.970 -0.214 -19.655 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.268 -0.127 -20.168 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.223 -1.592 -20.498 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.625 -1.615 -17.705 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.921 -3.085 -18.420 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.395 -2.539 -16.809 1.00 0.00 H new ATOM 481 N HIS A 30 -3.236 -5.320 -17.261 1.00 0.00 N ATOM 482 CA HIS A 30 -3.586 -6.692 -17.583 1.00 0.00 C ATOM 483 C HIS A 30 -2.449 -7.624 -17.161 1.00 0.00 C ATOM 484 O HIS A 30 -2.629 -8.472 -16.289 1.00 0.00 O ATOM 485 CB HIS A 30 -3.944 -6.828 -19.065 1.00 0.00 C ATOM 486 CG HIS A 30 -4.424 -5.545 -19.701 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.895 -5.048 -20.879 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.388 -4.663 -19.311 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.519 -3.917 -21.175 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.444 -3.681 -20.201 1.00 0.00 N ATOM 0 H HIS A 30 -3.743 -4.925 -16.469 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.476 -6.984 -17.025 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.069 -7.186 -19.608 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.719 -7.587 -19.173 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.002 -4.749 -18.427 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.329 -3.293 -22.035 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.075 -2.881 -20.163 1.00 0.00 H new ATOM 499 N TYR A 31 -1.304 -7.437 -17.801 1.00 0.00 N ATOM 500 CA TYR A 31 -0.137 -8.251 -17.502 1.00 0.00 C ATOM 501 C TYR A 31 1.099 -7.726 -18.233 1.00 0.00 C ATOM 502 O TYR A 31 2.117 -8.412 -18.312 1.00 0.00 O ATOM 503 CB TYR A 31 -0.461 -9.656 -18.016 1.00 0.00 C ATOM 504 CG TYR A 31 -0.918 -9.695 -19.476 1.00 0.00 C ATOM 505 CD1 TYR A 31 -2.216 -9.355 -19.801 1.00 0.00 C ATOM 506 CD2 TYR A 31 -0.033 -10.069 -20.466 1.00 0.00 C ATOM 507 CE1 TYR A 31 -2.647 -9.391 -21.175 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.464 -10.105 -21.840 1.00 0.00 C ATOM 509 CZ TYR A 31 -1.750 -9.765 -22.126 1.00 0.00 C ATOM 510 OH TYR A 31 -2.156 -9.799 -23.424 1.00 0.00 O ATOM 0 H TYR A 31 -1.159 -6.734 -18.525 1.00 0.00 H new ATOM 0 HA TYR A 31 0.079 -8.236 -16.434 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.423 -10.285 -17.906 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.241 -10.090 -17.390 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.908 -9.062 -19.025 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.982 -10.335 -20.211 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.659 -9.127 -21.444 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.218 -10.395 -22.625 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.410 -10.083 -23.993 1.00 0.00 H new ATOM 520 N LYS A 32 0.971 -6.512 -18.750 1.00 0.00 N ATOM 521 CA LYS A 32 2.066 -5.887 -19.473 1.00 0.00 C ATOM 522 C LYS A 32 2.366 -4.521 -18.852 1.00 0.00 C ATOM 523 O LYS A 32 1.660 -4.078 -17.948 1.00 0.00 O ATOM 524 CB LYS A 32 1.756 -5.828 -20.970 1.00 0.00 C ATOM 525 CG LYS A 32 0.460 -6.576 -21.292 1.00 0.00 C ATOM 526 CD LYS A 32 0.582 -7.342 -22.608 1.00 0.00 C ATOM 527 CE LYS A 32 0.682 -6.382 -23.795 1.00 0.00 C ATOM 528 NZ LYS A 32 1.744 -6.818 -24.728 1.00 0.00 N ATOM 0 H LYS A 32 0.126 -5.945 -18.682 1.00 0.00 H new ATOM 0 HA LYS A 32 2.973 -6.485 -19.383 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.668 -4.789 -21.286 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.581 -6.264 -21.533 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.226 -7.269 -20.484 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.367 -5.868 -21.354 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.463 -7.983 -22.579 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.282 -7.994 -22.735 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.274 -6.340 -24.317 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.895 -5.374 -23.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.798 -6.155 -25.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.657 -6.835 -24.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.525 -7.771 -25.083 1.00 0.00 H new ATOM 542 N VAL A 33 3.415 -3.893 -19.362 1.00 0.00 N ATOM 543 CA VAL A 33 3.817 -2.586 -18.870 1.00 0.00 C ATOM 544 C VAL A 33 3.760 -1.575 -20.016 1.00 0.00 C ATOM 545 O VAL A 33 4.253 -1.842 -21.110 1.00 0.00 O ATOM 546 CB VAL A 33 5.200 -2.675 -18.219 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.343 -3.966 -17.413 1.00 0.00 C ATOM 548 CG2 VAL A 33 6.307 -2.558 -19.268 1.00 0.00 C ATOM 0 H VAL A 33 3.999 -4.265 -20.111 1.00 0.00 H new ATOM 0 HA VAL A 33 3.130 -2.241 -18.097 1.00 0.00 H new ATOM 0 HB VAL A 33 5.301 -1.837 -17.530 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.334 -4.005 -16.961 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.586 -3.992 -16.630 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.211 -4.823 -18.073 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.279 -2.624 -18.780 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.209 -3.367 -19.992 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.223 -1.600 -19.780 1.00 0.00 H new ATOM 558 N TYR A 34 3.152 -0.432 -19.725 1.00 0.00 N ATOM 559 CA TYR A 34 3.023 0.621 -20.718 1.00 0.00 C ATOM 560 C TYR A 34 3.636 1.928 -20.212 1.00 0.00 C ATOM 561 O TYR A 34 3.782 2.124 -19.007 1.00 0.00 O ATOM 562 CB TYR A 34 1.520 0.823 -20.925 1.00 0.00 C ATOM 563 CG TYR A 34 0.740 -0.477 -21.127 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.659 -1.400 -20.103 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.116 -0.728 -22.331 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.075 -2.624 -20.292 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.620 -1.952 -22.520 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.680 -2.839 -21.492 1.00 0.00 C ATOM 569 OH TYR A 34 -1.374 -3.994 -21.671 1.00 0.00 O ATOM 0 H TYR A 34 2.744 -0.213 -18.816 1.00 0.00 H new ATOM 0 HA TYR A 34 3.539 0.347 -21.638 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.112 1.349 -20.062 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.366 1.466 -21.792 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.147 -1.203 -19.160 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.179 -0.007 -23.132 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.144 -3.355 -19.500 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.113 -2.160 -23.458 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.871 -4.207 -20.854 1.00 0.00 H new ATOM 579 N ASP A 35 3.980 2.788 -21.159 1.00 0.00 N ATOM 580 CA ASP A 35 4.575 4.071 -20.826 1.00 0.00 C ATOM 581 C ASP A 35 3.477 5.134 -20.756 1.00 0.00 C ATOM 582 O ASP A 35 3.151 5.762 -21.762 1.00 0.00 O ATOM 583 CB ASP A 35 5.585 4.503 -21.890 1.00 0.00 C ATOM 584 CG ASP A 35 7.025 4.643 -21.396 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.195 5.211 -20.295 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.926 4.181 -22.129 1.00 0.00 O ATOM 0 H ASP A 35 3.858 2.621 -22.158 1.00 0.00 H new ATOM 0 HA ASP A 35 5.084 3.968 -19.868 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.565 3.778 -22.704 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.265 5.458 -22.306 1.00 0.00 H new ATOM 591 N LEU A 36 2.937 5.303 -19.557 1.00 0.00 N ATOM 592 CA LEU A 36 1.881 6.279 -19.343 1.00 0.00 C ATOM 593 C LEU A 36 2.381 7.663 -19.763 1.00 0.00 C ATOM 594 O LEU A 36 1.587 8.530 -20.126 1.00 0.00 O ATOM 595 CB LEU A 36 1.381 6.218 -17.899 1.00 0.00 C ATOM 596 CG LEU A 36 0.634 4.944 -17.501 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.080 5.122 -16.160 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.328 4.504 -18.607 1.00 0.00 C ATOM 0 H LEU A 36 3.211 4.781 -18.725 1.00 0.00 H new ATOM 0 HA LEU A 36 1.016 6.049 -19.965 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.236 6.337 -17.234 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.723 7.070 -17.727 1.00 0.00 H new ATOM 0 HG LEU A 36 1.366 4.146 -17.373 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.603 4.201 -15.901 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.652 5.353 -15.386 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.798 5.938 -16.236 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.846 3.596 -18.298 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.057 5.293 -18.790 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.233 4.309 -19.521 1.00 0.00 H new ATOM 610 N THR A 37 3.693 7.828 -19.699 1.00 0.00 N ATOM 611 CA THR A 37 4.308 9.092 -20.069 1.00 0.00 C ATOM 612 C THR A 37 3.611 9.686 -21.294 1.00 0.00 C ATOM 613 O THR A 37 3.582 10.904 -21.468 1.00 0.00 O ATOM 614 CB THR A 37 5.804 8.846 -20.280 1.00 0.00 C ATOM 615 OG1 THR A 37 6.350 8.882 -18.964 1.00 0.00 O ATOM 616 CG2 THR A 37 6.492 10.009 -20.999 1.00 0.00 C ATOM 0 H THR A 37 4.348 7.107 -19.396 1.00 0.00 H new ATOM 0 HA THR A 37 4.194 9.834 -19.278 1.00 0.00 H new ATOM 0 HB THR A 37 5.944 7.930 -20.853 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.657 9.162 -18.330 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.551 9.784 -21.124 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.034 10.154 -21.978 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.381 10.918 -20.408 1.00 0.00 H new ATOM 624 N LYS A 38 3.068 8.798 -22.115 1.00 0.00 N ATOM 625 CA LYS A 38 2.372 9.219 -23.319 1.00 0.00 C ATOM 626 C LYS A 38 0.937 9.612 -22.963 1.00 0.00 C ATOM 627 O LYS A 38 0.476 10.690 -23.335 1.00 0.00 O ATOM 628 CB LYS A 38 2.465 8.137 -24.396 1.00 0.00 C ATOM 629 CG LYS A 38 1.558 8.466 -25.584 1.00 0.00 C ATOM 630 CD LYS A 38 0.410 7.462 -25.692 1.00 0.00 C ATOM 631 CE LYS A 38 -0.661 7.956 -26.667 1.00 0.00 C ATOM 632 NZ LYS A 38 -1.870 7.104 -26.584 1.00 0.00 N ATOM 0 H LYS A 38 3.096 7.789 -21.970 1.00 0.00 H new ATOM 0 HA LYS A 38 2.847 10.102 -23.745 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.497 8.045 -24.736 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.182 7.173 -23.973 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.156 9.473 -25.471 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.141 8.457 -26.505 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.795 6.499 -26.027 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.033 7.304 -24.709 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.921 8.990 -26.438 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.269 7.944 -27.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.978 6.567 -27.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.775 6.443 -25.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.708 7.703 -26.439 1.00 0.00 H new ATOM 646 N PHE A 39 0.272 8.717 -22.248 1.00 0.00 N ATOM 647 CA PHE A 39 -1.100 8.958 -21.839 1.00 0.00 C ATOM 648 C PHE A 39 -1.175 10.075 -20.798 1.00 0.00 C ATOM 649 O PHE A 39 -2.263 10.485 -20.396 1.00 0.00 O ATOM 650 CB PHE A 39 -1.614 7.659 -21.214 1.00 0.00 C ATOM 651 CG PHE A 39 -3.030 7.275 -21.650 1.00 0.00 C ATOM 652 CD1 PHE A 39 -4.039 8.182 -21.559 1.00 0.00 C ATOM 653 CD2 PHE A 39 -3.279 6.027 -22.130 1.00 0.00 C ATOM 654 CE1 PHE A 39 -5.353 7.826 -21.965 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.591 5.671 -22.536 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.602 6.577 -22.445 1.00 0.00 C ATOM 0 H PHE A 39 0.658 7.824 -21.942 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.697 9.261 -22.699 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.933 6.849 -21.474 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.593 7.757 -20.129 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.841 9.173 -21.178 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.478 5.307 -22.202 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.154 8.546 -21.893 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.787 4.680 -22.918 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.601 6.305 -22.753 1.00 0.00 H new ATOM 666 N LEU A 40 -0.003 10.538 -20.387 1.00 0.00 N ATOM 667 CA LEU A 40 0.080 11.600 -19.399 1.00 0.00 C ATOM 668 C LEU A 40 -0.956 12.677 -19.730 1.00 0.00 C ATOM 669 O LEU A 40 -1.984 12.781 -19.062 1.00 0.00 O ATOM 670 CB LEU A 40 1.511 12.132 -19.304 1.00 0.00 C ATOM 671 CG LEU A 40 2.253 11.825 -18.002 1.00 0.00 C ATOM 672 CD1 LEU A 40 2.021 12.925 -16.965 1.00 0.00 C ATOM 673 CD2 LEU A 40 1.873 10.443 -17.465 1.00 0.00 C ATOM 0 H LEU A 40 0.898 10.196 -20.721 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.160 11.219 -18.406 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.087 11.721 -20.133 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.486 13.213 -19.439 1.00 0.00 H new ATOM 0 HG LEU A 40 3.321 11.804 -18.217 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.560 12.681 -16.049 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.382 13.876 -17.356 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.955 13.003 -16.749 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.415 10.251 -16.539 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.801 10.410 -17.271 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.132 9.683 -18.202 1.00 0.00 H new ATOM 685 N GLU A 41 -0.649 13.452 -20.759 1.00 0.00 N ATOM 686 CA GLU A 41 -1.541 14.518 -21.185 1.00 0.00 C ATOM 687 C GLU A 41 -2.923 13.953 -21.517 1.00 0.00 C ATOM 688 O GLU A 41 -3.938 14.476 -21.059 1.00 0.00 O ATOM 689 CB GLU A 41 -0.958 15.277 -22.380 1.00 0.00 C ATOM 690 CG GLU A 41 -0.933 16.782 -22.114 1.00 0.00 C ATOM 691 CD GLU A 41 -0.782 17.567 -23.419 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.090 17.170 -24.222 1.00 0.00 O ATOM 693 OE2 GLU A 41 -1.542 18.546 -23.584 1.00 0.00 O ATOM 0 H GLU A 41 0.204 13.364 -21.311 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.647 15.226 -20.363 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.053 14.923 -22.582 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.552 15.071 -23.271 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.852 17.081 -21.610 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.108 17.023 -21.443 1.00 0.00 H new ATOM 700 N GLU A 42 -2.919 12.892 -22.312 1.00 0.00 N ATOM 701 CA GLU A 42 -4.160 12.250 -22.710 1.00 0.00 C ATOM 702 C GLU A 42 -4.984 11.877 -21.475 1.00 0.00 C ATOM 703 O GLU A 42 -4.644 12.262 -20.358 1.00 0.00 O ATOM 704 CB GLU A 42 -3.887 11.022 -23.579 1.00 0.00 C ATOM 705 CG GLU A 42 -4.593 11.139 -24.932 1.00 0.00 C ATOM 706 CD GLU A 42 -4.339 9.900 -25.793 1.00 0.00 C ATOM 707 OE1 GLU A 42 -3.180 9.742 -26.232 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.311 9.139 -25.991 1.00 0.00 O ATOM 0 H GLU A 42 -2.076 12.461 -22.691 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.737 12.956 -23.308 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.814 10.913 -23.733 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.228 10.124 -23.063 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.665 11.265 -24.777 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.240 12.028 -25.455 1.00 0.00 H new ATOM 715 N HIS A 43 -6.052 11.133 -21.721 1.00 0.00 N ATOM 716 CA HIS A 43 -6.929 10.704 -20.644 1.00 0.00 C ATOM 717 C HIS A 43 -7.983 11.781 -20.379 1.00 0.00 C ATOM 718 O HIS A 43 -7.648 12.949 -20.192 1.00 0.00 O ATOM 719 CB HIS A 43 -6.119 10.347 -19.395 1.00 0.00 C ATOM 720 CG HIS A 43 -6.546 9.057 -18.735 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.722 7.948 -18.655 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.716 8.712 -18.126 1.00 0.00 C ATOM 723 CE1 HIS A 43 -6.378 6.985 -18.024 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.615 7.460 -17.697 1.00 0.00 N ATOM 0 H HIS A 43 -6.330 10.816 -22.650 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.455 9.796 -20.938 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.066 10.273 -19.666 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.206 11.159 -18.673 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.772 7.883 -19.020 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.580 9.350 -18.012 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.000 5.997 -17.807 1.00 0.00 H new ATOM 733 N PRO A 44 -9.268 11.337 -20.370 1.00 0.00 N ATOM 734 CA PRO A 44 -10.373 12.250 -20.131 1.00 0.00 C ATOM 735 C PRO A 44 -10.459 12.631 -18.652 1.00 0.00 C ATOM 736 O PRO A 44 -11.374 13.342 -18.243 1.00 0.00 O ATOM 737 CB PRO A 44 -11.606 11.513 -20.626 1.00 0.00 C ATOM 738 CG PRO A 44 -11.216 10.044 -20.692 1.00 0.00 C ATOM 739 CD PRO A 44 -9.702 9.961 -20.587 1.00 0.00 C ATOM 0 HA PRO A 44 -10.255 13.199 -20.654 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.448 11.663 -19.951 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.913 11.880 -21.605 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.686 9.487 -19.882 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.559 9.599 -21.626 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.397 9.315 -19.763 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.264 9.547 -21.495 1.00 0.00 H new ATOM 747 N GLY A 45 -9.491 12.142 -17.891 1.00 0.00 N ATOM 748 CA GLY A 45 -9.446 12.423 -16.466 1.00 0.00 C ATOM 749 C GLY A 45 -8.286 13.364 -16.129 1.00 0.00 C ATOM 750 O GLY A 45 -8.473 14.364 -15.440 1.00 0.00 O ATOM 0 H GLY A 45 -8.732 11.553 -18.234 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.387 12.873 -16.150 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.336 11.491 -15.911 1.00 0.00 H new ATOM 754 N GLY A 46 -7.113 13.008 -16.633 1.00 0.00 N ATOM 755 CA GLY A 46 -5.924 13.807 -16.393 1.00 0.00 C ATOM 756 C GLY A 46 -4.658 12.954 -16.501 1.00 0.00 C ATOM 757 O GLY A 46 -4.701 11.836 -17.014 1.00 0.00 O ATOM 0 H GLY A 46 -6.961 12.178 -17.206 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.879 14.624 -17.114 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.979 14.259 -15.402 1.00 0.00 H new ATOM 761 N GLU A 47 -3.562 13.512 -16.011 1.00 0.00 N ATOM 762 CA GLU A 47 -2.287 12.816 -16.046 1.00 0.00 C ATOM 763 C GLU A 47 -2.167 11.867 -14.851 1.00 0.00 C ATOM 764 O GLU A 47 -1.789 10.708 -15.009 1.00 0.00 O ATOM 765 CB GLU A 47 -1.122 13.806 -16.080 1.00 0.00 C ATOM 766 CG GLU A 47 -1.170 14.667 -17.344 1.00 0.00 C ATOM 767 CD GLU A 47 -0.837 16.126 -17.027 1.00 0.00 C ATOM 768 OE1 GLU A 47 0.345 16.384 -16.714 1.00 0.00 O ATOM 769 OE2 GLU A 47 -1.773 16.951 -17.105 1.00 0.00 O ATOM 0 H GLU A 47 -3.530 14.439 -15.587 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.243 12.224 -16.960 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.158 14.446 -15.198 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.178 13.263 -16.041 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.464 14.280 -18.079 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.162 14.606 -17.792 1.00 0.00 H new ATOM 776 N GLU A 48 -2.495 12.397 -13.681 1.00 0.00 N ATOM 777 CA GLU A 48 -2.428 11.613 -12.460 1.00 0.00 C ATOM 778 C GLU A 48 -3.089 10.249 -12.668 1.00 0.00 C ATOM 779 O GLU A 48 -2.528 9.220 -12.294 1.00 0.00 O ATOM 780 CB GLU A 48 -3.072 12.363 -11.291 1.00 0.00 C ATOM 781 CG GLU A 48 -2.145 12.380 -10.073 1.00 0.00 C ATOM 782 CD GLU A 48 -2.885 12.876 -8.829 1.00 0.00 C ATOM 783 OE1 GLU A 48 -4.086 12.549 -8.716 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.232 13.569 -8.020 1.00 0.00 O ATOM 0 H GLU A 48 -2.808 13.359 -13.553 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.379 11.452 -12.211 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.301 13.385 -11.592 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.017 11.889 -11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.756 11.378 -9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.288 13.024 -10.272 1.00 0.00 H new ATOM 791 N VAL A 49 -4.273 10.286 -13.262 1.00 0.00 N ATOM 792 CA VAL A 49 -5.016 9.065 -13.524 1.00 0.00 C ATOM 793 C VAL A 49 -4.047 7.970 -13.973 1.00 0.00 C ATOM 794 O VAL A 49 -4.292 6.787 -13.740 1.00 0.00 O ATOM 795 CB VAL A 49 -6.125 9.337 -14.544 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.543 9.564 -15.940 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.149 8.201 -14.554 1.00 0.00 C ATOM 0 H VAL A 49 -4.736 11.142 -13.569 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.506 8.713 -12.616 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.640 10.250 -14.245 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.352 9.755 -16.645 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.870 10.421 -15.919 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.991 8.678 -16.253 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.926 8.418 -15.287 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.653 7.267 -14.817 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.598 8.107 -13.565 1.00 0.00 H new ATOM 807 N LEU A 50 -2.968 8.402 -14.608 1.00 0.00 N ATOM 808 CA LEU A 50 -1.961 7.472 -15.092 1.00 0.00 C ATOM 809 C LEU A 50 -0.707 7.590 -14.224 1.00 0.00 C ATOM 810 O LEU A 50 -0.121 6.581 -13.834 1.00 0.00 O ATOM 811 CB LEU A 50 -1.701 7.692 -16.583 1.00 0.00 C ATOM 812 CG LEU A 50 -2.941 7.758 -17.478 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.921 9.014 -18.351 1.00 0.00 C ATOM 814 CD2 LEU A 50 -3.082 6.483 -18.312 1.00 0.00 C ATOM 0 H LEU A 50 -2.768 9.384 -14.799 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.315 6.445 -15.003 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.142 8.621 -16.701 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.060 6.887 -16.942 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.821 7.825 -16.839 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.813 9.036 -18.977 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.902 9.899 -17.715 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.034 9.003 -18.984 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.971 6.555 -18.939 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.201 6.362 -18.943 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.175 5.623 -17.649 1.00 0.00 H new ATOM 826 N ARG A 51 -0.330 8.830 -13.949 1.00 0.00 N ATOM 827 CA ARG A 51 0.844 9.092 -13.135 1.00 0.00 C ATOM 828 C ARG A 51 0.652 8.525 -11.727 1.00 0.00 C ATOM 829 O ARG A 51 1.531 7.841 -11.204 1.00 0.00 O ATOM 830 CB ARG A 51 1.123 10.594 -13.039 1.00 0.00 C ATOM 831 CG ARG A 51 2.629 10.870 -13.010 1.00 0.00 C ATOM 832 CD ARG A 51 3.064 11.383 -11.636 1.00 0.00 C ATOM 833 NE ARG A 51 3.532 12.783 -11.743 1.00 0.00 N ATOM 834 CZ ARG A 51 3.637 13.622 -10.703 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.309 13.208 -9.473 1.00 0.00 N ATOM 836 NH2 ARG A 51 4.071 14.875 -10.895 1.00 0.00 N ATOM 0 H ARG A 51 -0.817 9.664 -14.276 1.00 0.00 H new ATOM 0 HA ARG A 51 1.694 8.605 -13.613 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.672 11.107 -13.888 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.658 10.997 -12.139 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.175 9.958 -13.251 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.883 11.605 -13.774 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.231 11.322 -10.936 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.861 10.754 -11.239 1.00 0.00 H new ATOM 0 HE ARG A 51 3.791 13.131 -12.666 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.979 12.254 -9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.389 13.847 -8.682 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.321 15.190 -11.832 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.151 15.514 -10.104 1.00 0.00 H new ATOM 850 N GLU A 52 -0.502 8.831 -11.153 1.00 0.00 N ATOM 851 CA GLU A 52 -0.821 8.360 -9.816 1.00 0.00 C ATOM 852 C GLU A 52 -0.755 6.832 -9.762 1.00 0.00 C ATOM 853 O GLU A 52 -0.504 6.256 -8.704 1.00 0.00 O ATOM 854 CB GLU A 52 -2.193 8.867 -9.369 1.00 0.00 C ATOM 855 CG GLU A 52 -2.087 9.657 -8.062 1.00 0.00 C ATOM 856 CD GLU A 52 -1.811 8.727 -6.880 1.00 0.00 C ATOM 857 OE1 GLU A 52 -2.733 7.956 -6.538 1.00 0.00 O ATOM 858 OE2 GLU A 52 -0.685 8.809 -6.345 1.00 0.00 O ATOM 0 H GLU A 52 -1.228 9.399 -11.589 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.080 8.760 -9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.622 9.499 -10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.870 8.024 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.289 10.395 -8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.012 10.206 -7.889 1.00 0.00 H new ATOM 865 N GLN A 53 -0.986 6.222 -10.914 1.00 0.00 N ATOM 866 CA GLN A 53 -0.956 4.771 -11.010 1.00 0.00 C ATOM 867 C GLN A 53 0.443 4.294 -11.406 1.00 0.00 C ATOM 868 O GLN A 53 0.837 3.177 -11.077 1.00 0.00 O ATOM 869 CB GLN A 53 -2.008 4.266 -12.001 1.00 0.00 C ATOM 870 CG GLN A 53 -1.697 4.743 -13.421 1.00 0.00 C ATOM 871 CD GLN A 53 -2.583 4.032 -14.444 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.276 2.955 -14.928 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.698 4.690 -14.746 1.00 0.00 N ATOM 0 H GLN A 53 -1.195 6.704 -11.788 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.197 4.356 -10.031 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.041 3.177 -11.978 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.994 4.621 -11.702 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.850 5.820 -13.488 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.648 4.555 -13.650 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.896 5.588 -14.305 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.356 4.297 -15.419 1.00 0.00 H new ATOM 882 N ALA A 54 1.155 5.165 -12.105 1.00 0.00 N ATOM 883 CA ALA A 54 2.502 4.847 -12.549 1.00 0.00 C ATOM 884 C ALA A 54 3.347 4.435 -11.341 1.00 0.00 C ATOM 885 O ALA A 54 3.366 5.129 -10.326 1.00 0.00 O ATOM 886 CB ALA A 54 3.092 6.047 -13.291 1.00 0.00 C ATOM 0 H ALA A 54 0.825 6.091 -12.375 1.00 0.00 H new ATOM 0 HA ALA A 54 2.489 4.008 -13.245 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.102 5.808 -13.624 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.471 6.281 -14.156 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.124 6.908 -12.623 1.00 0.00 H new ATOM 892 N GLY A 55 4.025 3.307 -11.492 1.00 0.00 N ATOM 893 CA GLY A 55 4.870 2.794 -10.427 1.00 0.00 C ATOM 894 C GLY A 55 4.313 1.483 -9.867 1.00 0.00 C ATOM 895 O GLY A 55 4.668 1.076 -8.762 1.00 0.00 O ATOM 0 H GLY A 55 4.006 2.734 -12.336 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.879 2.632 -10.805 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.943 3.532 -9.629 1.00 0.00 H new ATOM 899 N GLY A 56 3.450 0.861 -10.655 1.00 0.00 N ATOM 900 CA GLY A 56 2.840 -0.396 -10.252 1.00 0.00 C ATOM 901 C GLY A 56 1.734 -0.805 -11.227 1.00 0.00 C ATOM 902 O GLY A 56 1.512 -0.138 -12.237 1.00 0.00 O ATOM 0 H GLY A 56 3.158 1.203 -11.571 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.600 -1.176 -10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.427 -0.299 -9.248 1.00 0.00 H new ATOM 906 N ASP A 57 1.068 -1.901 -10.891 1.00 0.00 N ATOM 907 CA ASP A 57 -0.008 -2.407 -11.723 1.00 0.00 C ATOM 908 C ASP A 57 -1.275 -1.588 -11.466 1.00 0.00 C ATOM 909 O ASP A 57 -1.752 -1.514 -10.335 1.00 0.00 O ATOM 910 CB ASP A 57 -0.317 -3.870 -11.396 1.00 0.00 C ATOM 911 CG ASP A 57 -1.788 -4.268 -11.537 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.607 -3.686 -10.794 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.059 -5.146 -12.384 1.00 0.00 O ATOM 0 H ASP A 57 1.254 -2.452 -10.053 1.00 0.00 H new ATOM 0 HA ASP A 57 0.306 -2.329 -12.764 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.280 -4.506 -12.049 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.002 -4.073 -10.374 1.00 0.00 H new ATOM 918 N ALA A 58 -1.784 -0.994 -12.535 1.00 0.00 N ATOM 919 CA ALA A 58 -2.987 -0.182 -12.440 1.00 0.00 C ATOM 920 C ALA A 58 -4.202 -1.036 -12.810 1.00 0.00 C ATOM 921 O ALA A 58 -5.338 -0.656 -12.531 1.00 0.00 O ATOM 922 CB ALA A 58 -2.844 1.050 -13.336 1.00 0.00 C ATOM 0 H ALA A 58 -1.386 -1.058 -13.472 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.132 0.173 -11.420 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.746 1.658 -13.265 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.984 1.637 -13.013 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.700 0.734 -14.369 1.00 0.00 H new ATOM 928 N THR A 59 -3.922 -2.173 -13.429 1.00 0.00 N ATOM 929 CA THR A 59 -4.979 -3.082 -13.839 1.00 0.00 C ATOM 930 C THR A 59 -6.095 -3.105 -12.795 1.00 0.00 C ATOM 931 O THR A 59 -7.197 -2.620 -13.047 1.00 0.00 O ATOM 932 CB THR A 59 -4.350 -4.454 -14.089 1.00 0.00 C ATOM 933 OG1 THR A 59 -3.262 -4.183 -14.969 1.00 0.00 O ATOM 934 CG2 THR A 59 -5.263 -5.377 -14.899 1.00 0.00 C ATOM 0 H THR A 59 -2.978 -2.486 -13.657 1.00 0.00 H new ATOM 0 HA THR A 59 -5.450 -2.751 -14.765 1.00 0.00 H new ATOM 0 HB THR A 59 -4.113 -4.924 -13.134 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.418 -4.405 -14.524 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.769 -6.337 -15.048 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.198 -5.529 -14.359 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.473 -4.923 -15.867 1.00 0.00 H new ATOM 942 N GLU A 60 -5.774 -3.677 -11.643 1.00 0.00 N ATOM 943 CA GLU A 60 -6.737 -3.771 -10.560 1.00 0.00 C ATOM 944 C GLU A 60 -7.699 -2.582 -10.600 1.00 0.00 C ATOM 945 O GLU A 60 -8.899 -2.743 -10.380 1.00 0.00 O ATOM 946 CB GLU A 60 -6.030 -3.859 -9.204 1.00 0.00 C ATOM 947 CG GLU A 60 -5.443 -5.254 -8.983 1.00 0.00 C ATOM 948 CD GLU A 60 -3.929 -5.182 -8.769 1.00 0.00 C ATOM 949 OE1 GLU A 60 -3.490 -4.188 -8.149 1.00 0.00 O ATOM 950 OE2 GLU A 60 -3.245 -6.123 -9.228 1.00 0.00 O ATOM 0 H GLU A 60 -4.860 -4.080 -11.437 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.315 -4.686 -10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.236 -3.114 -9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.735 -3.626 -8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.915 -5.719 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.663 -5.886 -9.843 1.00 0.00 H new ATOM 957 N ASN A 61 -7.137 -1.416 -10.882 1.00 0.00 N ATOM 958 CA ASN A 61 -7.931 -0.201 -10.955 1.00 0.00 C ATOM 959 C ASN A 61 -8.645 -0.143 -12.307 1.00 0.00 C ATOM 960 O ASN A 61 -9.869 -0.029 -12.362 1.00 0.00 O ATOM 961 CB ASN A 61 -7.048 1.042 -10.833 1.00 0.00 C ATOM 962 CG ASN A 61 -7.428 1.866 -9.601 1.00 0.00 C ATOM 963 OD1 ASN A 61 -6.662 2.018 -8.664 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.650 2.387 -9.655 1.00 0.00 N ATOM 0 H ASN A 61 -6.142 -1.287 -11.063 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.647 -0.217 -10.133 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.002 0.744 -10.767 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.149 1.654 -11.729 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.998 2.953 -8.881 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.240 2.220 -10.470 1.00 0.00 H new ATOM 971 N PHE A 62 -7.850 -0.222 -13.364 1.00 0.00 N ATOM 972 CA PHE A 62 -8.391 -0.180 -14.712 1.00 0.00 C ATOM 973 C PHE A 62 -9.518 -1.200 -14.883 1.00 0.00 C ATOM 974 O PHE A 62 -10.320 -1.094 -15.809 1.00 0.00 O ATOM 975 CB PHE A 62 -7.246 -0.538 -15.664 1.00 0.00 C ATOM 976 CG PHE A 62 -7.567 -1.694 -16.615 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.556 -2.974 -16.157 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.863 -1.439 -17.918 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.853 -4.046 -17.039 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.159 -2.512 -18.800 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.149 -3.792 -18.342 1.00 0.00 C ATOM 0 H PHE A 62 -6.835 -0.315 -13.314 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.799 0.809 -14.919 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.987 0.342 -16.253 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.366 -0.798 -15.076 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.321 -3.175 -15.122 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.873 -0.422 -18.281 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.844 -5.063 -16.675 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.392 -2.311 -19.835 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.376 -4.607 -19.013 1.00 0.00 H new ATOM 991 N GLU A 63 -9.542 -2.165 -13.975 1.00 0.00 N ATOM 992 CA GLU A 63 -10.559 -3.202 -14.013 1.00 0.00 C ATOM 993 C GLU A 63 -11.897 -2.654 -13.516 1.00 0.00 C ATOM 994 O GLU A 63 -12.942 -2.921 -14.110 1.00 0.00 O ATOM 995 CB GLU A 63 -10.129 -4.422 -13.196 1.00 0.00 C ATOM 996 CG GLU A 63 -9.207 -5.332 -14.010 1.00 0.00 C ATOM 997 CD GLU A 63 -9.976 -6.528 -14.573 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.746 -7.127 -13.791 1.00 0.00 O ATOM 999 OE2 GLU A 63 -9.778 -6.818 -15.774 1.00 0.00 O ATOM 0 H GLU A 63 -8.874 -2.250 -13.209 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.683 -3.523 -15.047 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.617 -4.095 -12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.010 -4.981 -12.880 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.760 -4.766 -14.827 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.390 -5.684 -13.381 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.824 -1.895 -12.433 1.00 0.00 N ATOM 1007 CA ASP A 64 -13.017 -1.307 -11.848 1.00 0.00 C ATOM 1008 C ASP A 64 -13.576 -0.247 -12.801 1.00 0.00 C ATOM 1009 O ASP A 64 -14.737 -0.316 -13.199 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.699 -0.624 -10.517 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.678 0.478 -10.105 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.588 1.571 -10.706 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -14.493 0.203 -9.200 1.00 0.00 O ATOM 0 H ASP A 64 -10.956 -1.673 -11.945 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.739 -2.106 -11.680 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.677 -1.381 -9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.698 -0.197 -10.575 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.723 0.709 -13.137 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.117 1.782 -14.036 1.00 0.00 C ATOM 1020 C VAL A 65 -13.657 1.180 -15.334 1.00 0.00 C ATOM 1021 O VAL A 65 -14.321 1.865 -16.111 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.941 2.735 -14.261 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.606 2.014 -14.063 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -12.016 3.379 -15.646 1.00 0.00 C ATOM 0 H VAL A 65 -11.761 0.764 -12.803 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.918 2.376 -13.595 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.006 3.530 -13.518 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.787 2.713 -14.229 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.550 1.624 -13.047 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.529 1.190 -14.772 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.169 4.052 -15.781 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.988 2.602 -16.410 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.945 3.943 -15.735 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.350 -0.093 -15.533 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.795 -0.795 -16.726 1.00 0.00 C ATOM 1036 C GLY A 66 -13.452 -0.002 -17.987 1.00 0.00 C ATOM 1037 O GLY A 66 -14.286 0.743 -18.503 1.00 0.00 O ATOM 0 H GLY A 66 -12.798 -0.658 -14.888 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.325 -1.778 -16.771 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.872 -0.958 -16.676 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.225 -0.187 -18.449 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.762 0.502 -19.642 1.00 0.00 C ATOM 1043 C HIS A 67 -12.336 -0.181 -20.885 1.00 0.00 C ATOM 1044 O HIS A 67 -13.028 -1.193 -20.778 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.234 0.585 -19.663 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.662 1.610 -18.714 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.175 1.281 -17.461 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.502 2.957 -18.848 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.745 2.389 -16.875 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.949 3.428 -17.737 1.00 0.00 N ATOM 0 H HIS A 67 -11.536 -0.804 -18.019 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.124 1.530 -19.636 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.824 -0.394 -19.415 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.907 0.820 -20.676 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.151 0.345 -17.057 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.779 3.542 -19.712 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.310 2.458 -15.889 1.00 0.00 H new ATOM 1059 N SER A 68 -12.027 0.398 -22.035 1.00 0.00 N ATOM 1060 CA SER A 68 -12.504 -0.142 -23.297 1.00 0.00 C ATOM 1061 C SER A 68 -11.362 -0.852 -24.027 1.00 0.00 C ATOM 1062 O SER A 68 -10.195 -0.510 -23.843 1.00 0.00 O ATOM 1063 CB SER A 68 -13.093 0.960 -24.181 1.00 0.00 C ATOM 1064 OG SER A 68 -12.104 1.571 -25.004 1.00 0.00 O ATOM 0 H SER A 68 -11.452 1.236 -22.120 1.00 0.00 H new ATOM 0 HA SER A 68 -13.295 -0.861 -23.084 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.878 0.539 -24.810 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.560 1.718 -23.552 1.00 0.00 H new ATOM 0 HG SER A 68 -11.829 2.424 -24.607 1.00 0.00 H new ATOM 1070 N THR A 69 -11.738 -1.828 -24.840 1.00 0.00 N ATOM 1071 CA THR A 69 -10.761 -2.591 -25.597 1.00 0.00 C ATOM 1072 C THR A 69 -9.871 -1.653 -26.415 1.00 0.00 C ATOM 1073 O THR A 69 -8.731 -1.991 -26.730 1.00 0.00 O ATOM 1074 CB THR A 69 -11.515 -3.611 -26.453 1.00 0.00 C ATOM 1075 OG1 THR A 69 -11.846 -4.653 -25.539 1.00 0.00 O ATOM 1076 CG2 THR A 69 -10.614 -4.291 -27.484 1.00 0.00 C ATOM 0 H THR A 69 -12.707 -2.108 -24.991 1.00 0.00 H new ATOM 0 HA THR A 69 -10.087 -3.136 -24.936 1.00 0.00 H new ATOM 0 HB THR A 69 -12.341 -3.116 -26.964 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.959 -4.277 -24.641 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.199 -5.005 -28.064 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.193 -3.539 -28.152 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.806 -4.815 -26.972 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.426 -0.493 -26.734 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.696 0.497 -27.510 1.00 0.00 C ATOM 1086 C ASP A 70 -8.613 1.128 -26.633 1.00 0.00 C ATOM 1087 O ASP A 70 -7.474 1.295 -27.067 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.625 1.613 -27.992 1.00 0.00 C ATOM 1089 CG ASP A 70 -9.971 2.648 -28.908 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.539 2.239 -30.008 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -9.917 3.825 -28.489 1.00 0.00 O ATOM 0 H ASP A 70 -11.371 -0.216 -26.470 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.259 -0.006 -28.373 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.466 1.163 -28.520 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.033 2.127 -27.122 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.005 1.462 -25.412 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.084 2.073 -24.470 1.00 0.00 C ATOM 1098 C ALA A 71 -6.885 1.143 -24.261 1.00 0.00 C ATOM 1099 O ALA A 71 -5.737 1.575 -24.345 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.817 2.381 -23.163 1.00 0.00 C ATOM 0 H ALA A 71 -9.949 1.321 -25.054 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.706 3.018 -24.861 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.125 2.839 -22.457 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.641 3.067 -23.361 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.209 1.456 -22.739 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.195 -0.117 -23.993 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.159 -1.112 -23.772 1.00 0.00 C ATOM 1108 C ARG A 72 -5.262 -1.227 -25.006 1.00 0.00 C ATOM 1109 O ARG A 72 -4.042 -1.332 -24.884 1.00 0.00 O ATOM 1110 CB ARG A 72 -6.768 -2.482 -23.464 1.00 0.00 C ATOM 1111 CG ARG A 72 -7.824 -2.376 -22.363 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.392 -3.754 -22.015 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.164 -4.287 -23.160 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.632 -5.016 -24.151 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -7.322 -5.305 -24.140 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -9.407 -5.458 -25.149 1.00 0.00 N ATOM 0 H ARG A 72 -8.149 -0.472 -23.924 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.566 -0.789 -22.916 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.218 -2.895 -24.367 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.983 -3.172 -23.155 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.384 -1.925 -21.474 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.630 -1.718 -22.689 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.581 -4.438 -21.763 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.033 -3.681 -21.136 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.164 -4.087 -23.197 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.732 -4.970 -23.378 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.916 -5.860 -24.893 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.403 -5.240 -25.156 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.001 -6.013 -25.903 1.00 0.00 H new ATOM 1130 N GLU A 73 -5.899 -1.202 -26.168 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.175 -1.302 -27.423 1.00 0.00 C ATOM 1132 C GLU A 73 -4.275 -0.078 -27.615 1.00 0.00 C ATOM 1133 O GLU A 73 -3.133 -0.205 -28.053 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.136 -1.467 -28.601 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.015 -2.862 -29.217 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.240 -3.192 -30.071 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.305 -3.437 -29.466 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -7.084 -3.191 -31.312 1.00 0.00 O ATOM 0 H GLU A 73 -6.910 -1.114 -26.266 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.545 -2.191 -27.386 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.160 -1.301 -28.265 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.922 -0.712 -29.358 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.115 -2.916 -29.829 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.908 -3.605 -28.426 1.00 0.00 H new ATOM 1145 N LEU A 74 -4.826 1.080 -27.279 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.090 2.324 -27.410 1.00 0.00 C ATOM 1147 C LEU A 74 -2.788 2.227 -26.610 1.00 0.00 C ATOM 1148 O LEU A 74 -1.743 2.692 -27.060 1.00 0.00 O ATOM 1149 CB LEU A 74 -4.968 3.511 -27.012 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.662 4.148 -25.655 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.654 5.291 -25.801 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.947 4.605 -24.962 1.00 0.00 C ATOM 0 H LEU A 74 -5.774 1.181 -26.916 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.815 2.496 -28.451 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.876 4.279 -27.780 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.008 3.184 -27.011 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.203 3.392 -25.018 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.454 5.727 -24.822 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.726 4.906 -26.224 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.064 6.055 -26.461 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.701 5.054 -24.000 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.455 5.340 -25.586 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.601 3.747 -24.806 1.00 0.00 H new ATOM 1164 N SER A 75 -2.896 1.623 -25.436 1.00 0.00 N ATOM 1165 CA SER A 75 -1.742 1.460 -24.569 1.00 0.00 C ATOM 1166 C SER A 75 -0.646 0.677 -25.298 1.00 0.00 C ATOM 1167 O SER A 75 0.540 0.946 -25.115 1.00 0.00 O ATOM 1168 CB SER A 75 -2.124 0.750 -23.270 1.00 0.00 C ATOM 1169 OG SER A 75 -1.405 1.262 -22.150 1.00 0.00 O ATOM 0 H SER A 75 -3.766 1.240 -25.065 1.00 0.00 H new ATOM 0 HA SER A 75 -1.365 2.450 -24.313 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.194 0.863 -23.096 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.928 -0.318 -23.369 1.00 0.00 H new ATOM 0 HG SER A 75 -0.890 0.539 -21.734 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.083 -0.275 -26.108 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.156 -1.099 -26.865 1.00 0.00 C ATOM 1177 C LYS A 76 0.640 -0.211 -27.825 1.00 0.00 C ATOM 1178 O LYS A 76 1.611 -0.661 -28.431 1.00 0.00 O ATOM 1179 CB LYS A 76 -0.897 -2.244 -27.557 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.291 -1.858 -28.985 1.00 0.00 C ATOM 1181 CD LYS A 76 -0.357 -2.508 -30.006 1.00 0.00 C ATOM 1182 CE LYS A 76 -0.462 -1.814 -31.366 1.00 0.00 C ATOM 1183 NZ LYS A 76 -1.529 -2.435 -32.183 1.00 0.00 N ATOM 0 H LYS A 76 -2.068 -0.495 -26.257 1.00 0.00 H new ATOM 0 HA LYS A 76 0.563 -1.575 -26.198 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.264 -3.131 -27.578 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.789 -2.502 -26.987 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.318 -2.167 -29.179 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.258 -0.774 -29.095 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.671 -2.458 -29.647 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.607 -3.564 -30.112 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.674 -0.754 -31.225 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.491 -1.881 -31.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.587 -1.953 -33.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.311 -3.441 -32.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.440 -2.348 -31.688 1.00 0.00 H new ATOM 1197 N THR A 77 0.198 1.033 -27.934 1.00 0.00 N ATOM 1198 CA THR A 77 0.857 1.987 -28.810 1.00 0.00 C ATOM 1199 C THR A 77 2.180 2.447 -28.198 1.00 0.00 C ATOM 1200 O THR A 77 3.184 2.569 -28.899 1.00 0.00 O ATOM 1201 CB THR A 77 -0.119 3.134 -29.079 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.348 3.708 -30.297 1.00 0.00 O ATOM 1203 CG2 THR A 77 0.012 4.266 -28.058 1.00 0.00 C ATOM 0 H THR A 77 -0.608 1.403 -27.430 1.00 0.00 H new ATOM 0 HA THR A 77 1.118 1.532 -29.765 1.00 0.00 H new ATOM 0 HB THR A 77 -1.140 2.752 -29.068 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.229 4.460 -30.547 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.703 5.054 -28.295 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.191 3.880 -27.059 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.023 4.671 -28.092 1.00 0.00 H new ATOM 1211 N PHE A 78 2.140 2.690 -26.895 1.00 0.00 N ATOM 1212 CA PHE A 78 3.326 3.135 -26.181 1.00 0.00 C ATOM 1213 C PHE A 78 3.827 2.051 -25.224 1.00 0.00 C ATOM 1214 O PHE A 78 4.603 2.333 -24.312 1.00 0.00 O ATOM 1215 CB PHE A 78 2.922 4.366 -25.369 1.00 0.00 C ATOM 1216 CG PHE A 78 3.775 5.605 -25.651 1.00 0.00 C ATOM 1217 CD1 PHE A 78 4.917 5.820 -24.945 1.00 0.00 C ATOM 1218 CD2 PHE A 78 3.393 6.491 -26.610 1.00 0.00 C ATOM 1219 CE1 PHE A 78 5.710 6.968 -25.208 1.00 0.00 C ATOM 1220 CE2 PHE A 78 4.184 7.639 -26.871 1.00 0.00 C ATOM 1221 CZ PHE A 78 5.326 7.855 -26.166 1.00 0.00 C ATOM 0 H PHE A 78 1.306 2.587 -26.316 1.00 0.00 H new ATOM 0 HA PHE A 78 4.125 3.357 -26.888 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.878 4.601 -25.579 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.988 4.126 -24.308 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.221 5.117 -24.184 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.487 6.320 -27.173 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.618 7.137 -24.648 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.878 8.343 -27.631 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.928 8.729 -26.366 1.00 0.00 H new ATOM 1231 N ILE A 79 3.364 0.833 -25.465 1.00 0.00 N ATOM 1232 CA ILE A 79 3.757 -0.295 -24.638 1.00 0.00 C ATOM 1233 C ILE A 79 5.283 -0.393 -24.608 1.00 0.00 C ATOM 1234 O ILE A 79 5.936 -0.279 -25.644 1.00 0.00 O ATOM 1235 CB ILE A 79 3.067 -1.576 -25.113 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.891 -1.933 -24.203 1.00 0.00 C ATOM 1237 CG2 ILE A 79 4.069 -2.725 -25.236 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.359 -3.332 -24.521 1.00 0.00 C ATOM 0 H ILE A 79 2.720 0.603 -26.222 1.00 0.00 H new ATOM 0 HA ILE A 79 3.427 -0.146 -23.610 1.00 0.00 H new ATOM 0 HB ILE A 79 2.660 -1.398 -26.109 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.206 -1.888 -23.160 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.094 -1.200 -24.327 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.553 -3.623 -25.575 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.843 -2.458 -25.956 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.527 -2.914 -24.265 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.523 -3.562 -23.860 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.023 -3.367 -25.557 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.152 -4.065 -24.372 1.00 0.00 H new ATOM 1250 N ILE A 80 5.807 -0.605 -23.410 1.00 0.00 N ATOM 1251 CA ILE A 80 7.244 -0.721 -23.231 1.00 0.00 C ATOM 1252 C ILE A 80 7.627 -2.200 -23.150 1.00 0.00 C ATOM 1253 O ILE A 80 8.651 -2.611 -23.694 1.00 0.00 O ATOM 1254 CB ILE A 80 7.703 0.100 -22.024 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.505 0.661 -21.256 1.00 0.00 C ATOM 1256 CG2 ILE A 80 8.678 1.201 -22.448 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.962 1.557 -20.103 1.00 0.00 C ATOM 0 H ILE A 80 5.262 -0.700 -22.553 1.00 0.00 H new ATOM 0 HA ILE A 80 7.769 -0.302 -24.090 1.00 0.00 H new ATOM 0 HB ILE A 80 8.240 -0.562 -21.345 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.869 1.231 -21.933 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.902 -0.159 -20.867 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.989 1.769 -21.571 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.553 0.751 -22.917 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.188 1.868 -23.158 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.090 1.942 -19.574 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.578 0.978 -19.414 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.544 2.390 -20.498 1.00 0.00 H new ATOM 1269 N GLY A 81 6.784 -2.960 -22.467 1.00 0.00 N ATOM 1270 CA GLY A 81 7.020 -4.384 -22.307 1.00 0.00 C ATOM 1271 C GLY A 81 5.877 -5.047 -21.536 1.00 0.00 C ATOM 1272 O GLY A 81 4.714 -4.683 -21.707 1.00 0.00 O ATOM 0 H GLY A 81 5.936 -2.616 -22.018 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.122 -4.851 -23.286 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.960 -4.543 -21.779 1.00 0.00 H new ATOM 1276 N GLU A 82 6.246 -6.008 -20.702 1.00 0.00 N ATOM 1277 CA GLU A 82 5.266 -6.725 -19.905 1.00 0.00 C ATOM 1278 C GLU A 82 5.891 -7.190 -18.588 1.00 0.00 C ATOM 1279 O GLU A 82 7.107 -7.133 -18.420 1.00 0.00 O ATOM 1280 CB GLU A 82 4.685 -7.908 -20.683 1.00 0.00 C ATOM 1281 CG GLU A 82 4.790 -7.675 -22.193 1.00 0.00 C ATOM 1282 CD GLU A 82 4.174 -8.840 -22.970 1.00 0.00 C ATOM 1283 OE1 GLU A 82 3.568 -9.708 -22.307 1.00 0.00 O ATOM 1284 OE2 GLU A 82 4.322 -8.835 -24.211 1.00 0.00 O ATOM 0 H GLU A 82 7.211 -6.307 -20.561 1.00 0.00 H new ATOM 0 HA GLU A 82 4.446 -6.045 -19.676 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.216 -8.821 -20.414 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.641 -8.053 -20.405 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.283 -6.747 -22.458 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.836 -7.558 -22.475 1.00 0.00 H new ATOM 1291 N LEU A 83 5.028 -7.641 -17.688 1.00 0.00 N ATOM 1292 CA LEU A 83 5.480 -8.116 -16.392 1.00 0.00 C ATOM 1293 C LEU A 83 6.056 -9.526 -16.542 1.00 0.00 C ATOM 1294 O LEU A 83 5.403 -10.411 -17.091 1.00 0.00 O ATOM 1295 CB LEU A 83 4.354 -8.018 -15.362 1.00 0.00 C ATOM 1296 CG LEU A 83 4.787 -7.966 -13.896 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.199 -8.527 -13.720 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.660 -6.549 -13.336 1.00 0.00 C ATOM 0 H LEU A 83 4.019 -7.687 -17.831 1.00 0.00 H new ATOM 0 HA LEU A 83 6.282 -7.482 -16.013 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.767 -7.125 -15.579 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.692 -8.874 -15.494 1.00 0.00 H new ATOM 0 HG LEU A 83 4.114 -8.601 -13.320 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.482 -8.478 -12.668 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.223 -9.564 -14.054 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.900 -7.939 -14.312 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.974 -6.541 -12.292 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.293 -5.873 -13.911 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.622 -6.222 -13.405 1.00 0.00 H new ATOM 1310 N HIS A 84 7.273 -9.691 -16.042 1.00 0.00 N ATOM 1311 CA HIS A 84 7.943 -10.978 -16.113 1.00 0.00 C ATOM 1312 C HIS A 84 7.398 -11.901 -15.022 1.00 0.00 C ATOM 1313 O HIS A 84 6.432 -11.561 -14.340 1.00 0.00 O ATOM 1314 CB HIS A 84 9.461 -10.803 -16.041 1.00 0.00 C ATOM 1315 CG HIS A 84 10.209 -11.458 -17.178 1.00 0.00 C ATOM 1316 ND1 HIS A 84 9.645 -11.665 -18.425 1.00 0.00 N ATOM 1317 CD2 HIS A 84 11.481 -11.944 -17.246 1.00 0.00 C ATOM 1318 CE1 HIS A 84 10.545 -12.253 -19.200 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.683 -12.425 -18.466 1.00 0.00 N ATOM 0 H HIS A 84 7.812 -8.954 -15.586 1.00 0.00 H new ATOM 0 HA HIS A 84 7.736 -11.449 -17.074 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.694 -9.738 -16.032 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.820 -11.216 -15.098 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.203 -11.938 -16.442 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.403 -12.545 -20.230 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.546 -12.853 -18.800 1.00 0.00 H new ATOM 1328 N PRO A 85 8.059 -13.082 -14.886 1.00 0.00 N ATOM 1329 CA PRO A 85 7.652 -14.056 -13.889 1.00 0.00 C ATOM 1330 C PRO A 85 8.079 -13.617 -12.486 1.00 0.00 C ATOM 1331 O PRO A 85 7.992 -14.393 -11.536 1.00 0.00 O ATOM 1332 CB PRO A 85 8.302 -15.360 -14.324 1.00 0.00 C ATOM 1333 CG PRO A 85 9.418 -14.971 -15.281 1.00 0.00 C ATOM 1334 CD PRO A 85 9.208 -13.518 -15.675 1.00 0.00 C ATOM 0 HA PRO A 85 6.569 -14.166 -13.827 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.696 -15.905 -13.466 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.579 -16.013 -14.812 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.391 -15.101 -14.806 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.405 -15.611 -16.163 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.090 -12.917 -15.455 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.014 -13.421 -16.743 1.00 0.00 H new ATOM 1342 N ASP A 86 8.528 -12.373 -12.401 1.00 0.00 N ATOM 1343 CA ASP A 86 8.966 -11.821 -11.132 1.00 0.00 C ATOM 1344 C ASP A 86 7.747 -11.352 -10.335 1.00 0.00 C ATOM 1345 O ASP A 86 7.787 -11.298 -9.107 1.00 0.00 O ATOM 1346 CB ASP A 86 9.884 -10.616 -11.343 1.00 0.00 C ATOM 1347 CG ASP A 86 9.698 -9.476 -10.338 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.281 -9.588 -9.239 1.00 0.00 O ATOM 1349 OD2 ASP A 86 8.976 -8.519 -10.695 1.00 0.00 O ATOM 0 H ASP A 86 8.598 -11.732 -13.191 1.00 0.00 H new ATOM 0 HA ASP A 86 9.509 -12.600 -10.596 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.919 -10.955 -11.298 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.720 -10.225 -12.347 1.00 0.00 H new ATOM 1354 N ASP A 87 6.691 -11.025 -11.067 1.00 0.00 N ATOM 1355 CA ASP A 87 5.463 -10.563 -10.444 1.00 0.00 C ATOM 1356 C ASP A 87 4.303 -10.734 -11.427 1.00 0.00 C ATOM 1357 O ASP A 87 3.416 -9.885 -11.499 1.00 0.00 O ATOM 1358 CB ASP A 87 5.557 -9.080 -10.076 1.00 0.00 C ATOM 1359 CG ASP A 87 5.902 -8.800 -8.612 1.00 0.00 C ATOM 1360 OD1 ASP A 87 4.970 -8.886 -7.782 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.089 -8.504 -8.357 1.00 0.00 O ATOM 0 H ASP A 87 6.661 -11.071 -12.086 1.00 0.00 H new ATOM 0 HA ASP A 87 5.301 -11.149 -9.540 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.311 -8.611 -10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.605 -8.602 -10.308 1.00 0.00 H new ATOM 1366 N ARG A 88 4.347 -11.837 -12.158 1.00 0.00 N ATOM 1367 CA ARG A 88 3.311 -12.130 -13.134 1.00 0.00 C ATOM 1368 C ARG A 88 2.119 -12.808 -12.455 1.00 0.00 C ATOM 1369 O ARG A 88 1.045 -12.217 -12.341 1.00 0.00 O ATOM 1370 CB ARG A 88 3.840 -13.039 -14.245 1.00 0.00 C ATOM 1371 CG ARG A 88 4.031 -12.259 -15.549 1.00 0.00 C ATOM 1372 CD ARG A 88 4.837 -13.074 -16.561 1.00 0.00 C ATOM 1373 NE ARG A 88 4.020 -13.333 -17.768 1.00 0.00 N ATOM 1374 CZ ARG A 88 4.370 -14.181 -18.745 1.00 0.00 C ATOM 1375 NH1 ARG A 88 5.527 -14.854 -18.665 1.00 0.00 N ATOM 1376 NH2 ARG A 88 3.566 -14.353 -19.802 1.00 0.00 N ATOM 0 H ARG A 88 5.084 -12.539 -12.094 1.00 0.00 H new ATOM 0 HA ARG A 88 2.994 -11.184 -13.574 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.789 -13.479 -13.938 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.144 -13.862 -14.408 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.059 -12.006 -15.972 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.543 -11.319 -15.343 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.744 -12.535 -16.835 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.150 -14.018 -16.114 1.00 0.00 H new ATOM 0 HE ARG A 88 3.135 -12.835 -17.862 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.140 -14.720 -17.861 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.794 -15.500 -19.408 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.687 -13.839 -19.863 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.832 -14.998 -20.546 1.00 0.00 H new ATOM 1390 N SER A 89 2.347 -14.039 -12.021 1.00 0.00 N ATOM 1391 CA SER A 89 1.305 -14.803 -11.356 1.00 0.00 C ATOM 1392 C SER A 89 1.015 -14.203 -9.979 1.00 0.00 C ATOM 1393 O SER A 89 0.671 -14.926 -9.044 1.00 0.00 O ATOM 1394 CB SER A 89 1.703 -16.275 -11.222 1.00 0.00 C ATOM 1395 OG SER A 89 2.936 -16.433 -10.526 1.00 0.00 O ATOM 0 H SER A 89 3.238 -14.526 -12.117 1.00 0.00 H new ATOM 0 HA SER A 89 0.402 -14.753 -11.964 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.917 -16.817 -10.695 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.787 -16.720 -12.214 1.00 0.00 H new ATOM 0 HG SER A 89 3.154 -17.386 -10.460 1.00 0.00 H new ATOM 1401 N LYS A 90 1.165 -12.890 -9.896 1.00 0.00 N ATOM 1402 CA LYS A 90 0.923 -12.186 -8.649 1.00 0.00 C ATOM 1403 C LYS A 90 0.034 -10.969 -8.920 1.00 0.00 C ATOM 1404 O LYS A 90 -0.759 -10.573 -8.067 1.00 0.00 O ATOM 1405 CB LYS A 90 2.246 -11.841 -7.963 1.00 0.00 C ATOM 1406 CG LYS A 90 2.517 -12.786 -6.790 1.00 0.00 C ATOM 1407 CD LYS A 90 1.872 -12.265 -5.506 1.00 0.00 C ATOM 1408 CE LYS A 90 0.817 -13.244 -4.986 1.00 0.00 C ATOM 1409 NZ LYS A 90 1.445 -14.281 -4.138 1.00 0.00 N ATOM 0 H LYS A 90 1.451 -12.294 -10.673 1.00 0.00 H new ATOM 0 HA LYS A 90 0.385 -12.825 -7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.061 -11.906 -8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.217 -10.811 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.128 -13.778 -7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.592 -12.891 -6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.638 -12.113 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.412 -11.295 -5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.063 -12.705 -4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.304 -13.714 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.715 -14.937 -3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.148 -14.807 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.915 -13.829 -3.327 1.00 0.00 H new ATOM 1423 N ILE A 91 0.199 -10.410 -10.108 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.578 -9.246 -10.502 1.00 0.00 C ATOM 1425 C ILE A 91 -1.175 -9.482 -11.890 1.00 0.00 C ATOM 1426 O ILE A 91 -2.306 -9.080 -12.161 1.00 0.00 O ATOM 1427 CB ILE A 91 0.272 -7.977 -10.404 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.681 -7.485 -11.794 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.481 -8.195 -9.494 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.701 -6.348 -11.693 1.00 0.00 C ATOM 0 H ILE A 91 0.859 -10.740 -10.812 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.413 -9.096 -9.818 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.334 -7.193 -9.949 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.106 -8.310 -12.366 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.200 -7.142 -12.336 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.068 -7.278 -9.442 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.140 -8.465 -8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.099 -8.998 -9.896 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.976 -6.016 -12.694 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.264 -5.515 -11.141 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.590 -6.702 -11.171 1.00 0.00 H new ATOM 1442 N THR A 92 -0.389 -10.132 -12.735 1.00 0.00 N ATOM 1443 CA THR A 92 -0.825 -10.425 -14.090 1.00 0.00 C ATOM 1444 C THR A 92 -2.309 -10.794 -14.104 1.00 0.00 C ATOM 1445 O THR A 92 -3.023 -10.474 -15.051 1.00 0.00 O ATOM 1446 CB THR A 92 0.080 -11.526 -14.649 1.00 0.00 C ATOM 1447 OG1 THR A 92 -0.088 -11.428 -16.060 1.00 0.00 O ATOM 1448 CG2 THR A 92 -0.426 -12.929 -14.310 1.00 0.00 C ATOM 0 H THR A 92 0.548 -10.464 -12.508 1.00 0.00 H new ATOM 0 HA THR A 92 -0.734 -9.550 -14.734 1.00 0.00 H new ATOM 0 HB THR A 92 1.089 -11.400 -14.257 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.465 -12.105 -16.503 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.252 -13.672 -14.730 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.469 -13.048 -13.227 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.422 -13.068 -14.731 1.00 0.00 H new ATOM 1456 N LYS A 93 -2.730 -11.464 -13.040 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.116 -11.880 -12.917 1.00 0.00 C ATOM 1458 C LYS A 93 -4.817 -11.004 -11.877 1.00 0.00 C ATOM 1459 O LYS A 93 -4.226 -10.653 -10.857 1.00 0.00 O ATOM 1460 CB LYS A 93 -4.202 -13.378 -12.619 1.00 0.00 C ATOM 1461 CG LYS A 93 -3.814 -13.671 -11.169 1.00 0.00 C ATOM 1462 CD LYS A 93 -5.054 -13.905 -10.305 1.00 0.00 C ATOM 1463 CE LYS A 93 -4.935 -15.208 -9.512 1.00 0.00 C ATOM 1464 NZ LYS A 93 -6.152 -16.032 -9.682 1.00 0.00 N ATOM 0 H LYS A 93 -2.134 -11.729 -12.255 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.642 -11.736 -13.861 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.216 -13.732 -12.807 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.543 -13.925 -13.293 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.170 -14.549 -11.132 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -3.239 -12.837 -10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.186 -13.069 -9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.941 -13.941 -10.938 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.061 -15.766 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.784 -14.985 -8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.054 -16.912 -9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.980 -15.503 -9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.279 -16.260 -10.689 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.101 -10.670 -12.176 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.888 -9.843 -11.279 1.00 0.00 C ATOM 1480 C PRO A 94 -7.346 -10.641 -10.057 1.00 0.00 C ATOM 1481 O PRO A 94 -6.946 -11.790 -9.877 1.00 0.00 O ATOM 1482 CB PRO A 94 -8.045 -9.335 -12.124 1.00 0.00 C ATOM 1483 CG PRO A 94 -8.121 -10.261 -13.325 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.834 -11.068 -13.375 1.00 0.00 C ATOM 0 HA PRO A 94 -6.318 -9.010 -10.867 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.977 -9.350 -11.559 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.878 -8.304 -12.436 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.983 -10.923 -13.243 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.247 -9.686 -14.243 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.038 -12.139 -13.378 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.264 -10.850 -14.278 1.00 0.00 H new ATOM 1492 N SER A 95 -8.178 -10.000 -9.249 1.00 0.00 N ATOM 1493 CA SER A 95 -8.694 -10.637 -8.049 1.00 0.00 C ATOM 1494 C SER A 95 -10.175 -10.293 -7.869 1.00 0.00 C ATOM 1495 O SER A 95 -10.704 -9.432 -8.570 1.00 0.00 O ATOM 1496 CB SER A 95 -7.897 -10.214 -6.814 1.00 0.00 C ATOM 1497 OG SER A 95 -7.375 -11.334 -6.104 1.00 0.00 O ATOM 0 H SER A 95 -8.507 -9.047 -9.402 1.00 0.00 H new ATOM 0 HA SER A 95 -8.589 -11.716 -8.163 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.077 -9.563 -7.118 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.537 -9.632 -6.152 1.00 0.00 H new ATOM 0 HG SER A 95 -6.871 -11.021 -5.324 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.799 -10.984 -6.927 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.207 -10.762 -6.646 1.00 0.00 C ATOM 1505 C GLU A 96 -12.371 -9.934 -5.370 1.00 0.00 C ATOM 1506 O GLU A 96 -11.401 -9.695 -4.653 1.00 0.00 O ATOM 1507 CB GLU A 96 -12.960 -12.089 -6.539 1.00 0.00 C ATOM 1508 CG GLU A 96 -14.185 -12.101 -7.457 1.00 0.00 C ATOM 1509 CD GLU A 96 -14.353 -13.465 -8.130 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -13.481 -13.798 -8.962 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -15.349 -14.142 -7.798 1.00 0.00 O ATOM 0 H GLU A 96 -10.356 -11.698 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.639 -10.202 -7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.295 -12.911 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.273 -12.252 -5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.079 -11.864 -6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.082 -11.327 -8.217 1.00 0.00 H new ATOM 1518 N SER A 97 -13.605 -9.518 -5.128 1.00 0.00 N ATOM 1519 CA SER A 97 -13.907 -8.722 -3.950 1.00 0.00 C ATOM 1520 C SER A 97 -15.117 -9.308 -3.218 1.00 0.00 C ATOM 1521 O SER A 97 -15.807 -10.177 -3.748 1.00 0.00 O ATOM 1522 CB SER A 97 -14.170 -7.262 -4.325 1.00 0.00 C ATOM 1523 OG SER A 97 -13.461 -6.358 -3.483 1.00 0.00 O ATOM 0 H SER A 97 -14.407 -9.717 -5.726 1.00 0.00 H new ATOM 0 HA SER A 97 -13.042 -8.749 -3.288 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.878 -7.096 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.239 -7.057 -4.258 1.00 0.00 H new ATOM 0 HG SER A 97 -13.654 -5.437 -3.756 1.00 0.00 H new ATOM 1529 N ILE A 98 -15.336 -8.810 -2.010 1.00 0.00 N ATOM 1530 CA ILE A 98 -16.450 -9.273 -1.201 1.00 0.00 C ATOM 1531 C ILE A 98 -17.671 -8.389 -1.466 1.00 0.00 C ATOM 1532 O ILE A 98 -17.589 -7.421 -2.221 1.00 0.00 O ATOM 1533 CB ILE A 98 -16.049 -9.340 0.275 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -15.684 -7.953 0.807 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -14.922 -10.351 0.490 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -16.611 -7.546 1.954 1.00 0.00 C ATOM 0 H ILE A 98 -14.761 -8.090 -1.572 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.726 -10.290 -1.480 1.00 0.00 H new ATOM 0 HB ILE A 98 -16.908 -9.688 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.650 -7.952 1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -15.752 -7.221 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.656 -10.380 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.254 -11.339 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.052 -10.056 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -16.331 -6.556 2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -17.641 -7.524 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -16.522 -8.267 2.767 1.00 0.00 H new ATOM 1548 N ILE A 99 -18.775 -8.754 -0.831 1.00 0.00 N ATOM 1549 CA ILE A 99 -20.011 -8.007 -0.990 1.00 0.00 C ATOM 1550 C ILE A 99 -20.801 -8.051 0.321 1.00 0.00 C ATOM 1551 O ILE A 99 -20.397 -8.721 1.269 1.00 0.00 O ATOM 1552 CB ILE A 99 -20.796 -8.519 -2.198 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -21.170 -9.992 -2.026 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -20.025 -8.272 -3.497 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -22.688 -10.168 -1.954 1.00 0.00 C ATOM 0 H ILE A 99 -18.839 -9.557 -0.205 1.00 0.00 H new ATOM 0 HA ILE A 99 -19.798 -6.959 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 99 -21.727 -7.956 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -20.772 -10.571 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -20.712 -10.384 -1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -20.605 -8.645 -4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -19.852 -7.203 -3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -19.068 -8.792 -3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -22.926 -11.225 -1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -23.079 -9.607 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -23.141 -9.798 -2.874 1.00 0.00 H new ATOM 1567 N THR A 100 -21.912 -7.330 0.328 1.00 0.00 N ATOM 1568 CA THR A 100 -22.761 -7.280 1.506 1.00 0.00 C ATOM 1569 C THR A 100 -21.984 -6.725 2.702 1.00 0.00 C ATOM 1570 O THR A 100 -20.769 -6.893 2.789 1.00 0.00 O ATOM 1571 CB THR A 100 -23.323 -8.682 1.746 1.00 0.00 C ATOM 1572 OG1 THR A 100 -24.270 -8.861 0.696 1.00 0.00 O ATOM 1573 CG2 THR A 100 -24.161 -8.769 3.022 1.00 0.00 C ATOM 0 H THR A 100 -22.244 -6.776 -0.462 1.00 0.00 H new ATOM 0 HA THR A 100 -23.599 -6.599 1.358 1.00 0.00 H new ATOM 0 HB THR A 100 -22.501 -9.396 1.803 1.00 0.00 H new ATOM 0 HG1 THR A 100 -24.682 -9.747 0.774 1.00 0.00 H new ATOM 0 HG21 THR A 100 -24.535 -9.786 3.143 1.00 0.00 H new ATOM 0 HG22 THR A 100 -23.544 -8.504 3.881 1.00 0.00 H new ATOM 0 HG23 THR A 100 -25.002 -8.079 2.953 1.00 0.00 H new ATOM 1581 N THR A 101 -22.717 -6.073 3.592 1.00 0.00 N ATOM 1582 CA THR A 101 -22.113 -5.492 4.778 1.00 0.00 C ATOM 1583 C THR A 101 -23.193 -5.008 5.746 1.00 0.00 C ATOM 1584 O THR A 101 -23.823 -3.977 5.515 1.00 0.00 O ATOM 1585 CB THR A 101 -21.159 -4.384 4.327 1.00 0.00 C ATOM 1586 OG1 THR A 101 -20.599 -3.891 5.542 1.00 0.00 O ATOM 1587 CG2 THR A 101 -21.898 -3.177 3.743 1.00 0.00 C ATOM 0 H THR A 101 -23.725 -5.934 3.515 1.00 0.00 H new ATOM 0 HA THR A 101 -21.536 -6.233 5.331 1.00 0.00 H new ATOM 0 HB THR A 101 -20.467 -4.782 3.585 1.00 0.00 H new ATOM 0 HG1 THR A 101 -19.967 -3.170 5.342 1.00 0.00 H new ATOM 0 HG21 THR A 101 -21.175 -2.420 3.439 1.00 0.00 H new ATOM 0 HG22 THR A 101 -22.481 -3.491 2.877 1.00 0.00 H new ATOM 0 HG23 THR A 101 -22.565 -2.759 4.497 1.00 0.00 H new ATOM 1595 N ILE A 102 -23.377 -5.776 6.810 1.00 0.00 N ATOM 1596 CA ILE A 102 -24.371 -5.438 7.814 1.00 0.00 C ATOM 1597 C ILE A 102 -25.706 -5.145 7.126 1.00 0.00 C ATOM 1598 O ILE A 102 -25.831 -5.306 5.914 1.00 0.00 O ATOM 1599 CB ILE A 102 -23.872 -4.294 8.700 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -23.861 -2.971 7.932 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -22.502 -4.622 9.298 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -23.835 -1.780 8.893 1.00 0.00 C ATOM 0 H ILE A 102 -22.854 -6.631 6.998 1.00 0.00 H new ATOM 0 HA ILE A 102 -24.536 -6.281 8.485 1.00 0.00 H new ATOM 0 HB ILE A 102 -24.567 -4.177 9.532 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -22.990 -2.934 7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -24.743 -2.909 7.294 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -22.170 -3.793 9.923 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -22.576 -5.526 9.903 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -21.783 -4.781 8.494 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -23.828 -0.852 8.322 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -24.719 -1.807 9.530 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -22.940 -1.832 9.513 1.00 0.00 H new ATOM 1614 N ASP A 103 -26.668 -4.719 7.930 1.00 0.00 N ATOM 1615 CA ASP A 103 -27.989 -4.401 7.414 1.00 0.00 C ATOM 1616 C ASP A 103 -28.884 -3.937 8.564 1.00 0.00 C ATOM 1617 O ASP A 103 -29.119 -4.682 9.513 1.00 0.00 O ATOM 1618 CB ASP A 103 -28.641 -5.630 6.775 1.00 0.00 C ATOM 1619 CG ASP A 103 -28.753 -6.852 7.689 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -29.759 -6.916 8.429 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -27.831 -7.693 7.629 1.00 0.00 O ATOM 0 H ASP A 103 -26.560 -4.586 8.936 1.00 0.00 H new ATOM 0 HA ASP A 103 -27.878 -3.619 6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -29.640 -5.357 6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -28.068 -5.908 5.891 1.00 0.00 H new ATOM 1626 N SER A 104 -29.358 -2.706 8.443 1.00 0.00 N ATOM 1627 CA SER A 104 -30.222 -2.131 9.460 1.00 0.00 C ATOM 1628 C SER A 104 -30.727 -0.761 9.006 1.00 0.00 C ATOM 1629 O SER A 104 -30.604 -0.407 7.833 1.00 0.00 O ATOM 1630 CB SER A 104 -29.492 -2.011 10.798 1.00 0.00 C ATOM 1631 OG SER A 104 -30.364 -1.602 11.848 1.00 0.00 O ATOM 0 H SER A 104 -29.160 -2.090 7.655 1.00 0.00 H new ATOM 0 HA SER A 104 -31.074 -2.796 9.600 1.00 0.00 H new ATOM 0 HB2 SER A 104 -29.043 -2.971 11.053 1.00 0.00 H new ATOM 0 HB3 SER A 104 -28.677 -1.293 10.703 1.00 0.00 H new ATOM 0 HG SER A 104 -29.860 -1.539 12.686 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.171 5.174 -17.864 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.806 6.882 -19.133 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.011 4.589 -21.050 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.643 3.275 -16.575 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.188 5.921 -14.687 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.803 5.635 -19.696 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.960 6.266 -20.046 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.128 6.252 -21.512 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.019 5.671 -22.068 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.191 5.300 -20.942 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.712 5.451 -23.549 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.350 6.750 -22.256 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.529 5.803 -22.091 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.100 4.355 -21.969 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.571 3.977 -20.907 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.246 3.594 -22.944 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.651 4.182 -18.632 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.291 4.053 -19.985 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.097 3.237 -20.136 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.753 2.814 -18.867 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.696 3.431 -17.962 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.451 2.845 -21.465 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.860 1.799 -18.455 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.556 1.562 -18.827 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.547 4.696 -16.033 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.496 3.856 -15.684 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.384 3.681 -14.219 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.395 4.436 -13.696 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.088 5.082 -14.818 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.338 2.779 -13.517 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.735 4.596 -12.344 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.768 4.771 -11.368 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.708 6.165 -17.060 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.959 6.425 -15.707 1.00 0.00 C HETATM 1672 C2D HEM A 105 -11.088 7.301 -15.542 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.503 7.603 -16.785 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.690 6.855 -17.737 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.726 7.756 -14.238 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.551 8.623 -17.153 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.909 7.970 -17.248 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.623 8.330 -18.528 1.00 0.00 C HETATM 1679 O1D HEM A 105 -15.869 8.248 -18.541 1.00 0.00 O HETATM 1680 O2D HEM A 105 -13.948 8.711 -19.513 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.644 5.324 -24.099 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.098 4.558 -23.665 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.174 6.314 -23.941 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.218 2.780 -22.237 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -3.959 1.878 -21.359 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.715 3.598 -21.748 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.099 3.193 -12.537 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.433 2.733 -14.122 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.745 1.775 -13.397 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.601 6.981 -13.482 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.789 7.939 -14.397 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.247 8.674 -13.899 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.012 0.719 -18.400 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.067 2.217 -19.548 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -7.062 4.893 -10.325 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.713 4.787 -11.642 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.198 5.909 -22.945 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.096 6.086 -21.204 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.114 6.857 -23.315 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.623 7.739 -21.888 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.517 8.274 -16.396 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.795 6.888 -17.189 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.296 9.088 -18.105 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.573 9.417 -16.406 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.637 7.438 -19.540 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.614 4.436 -22.043 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.863 2.643 -16.176 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.465 6.206 -13.683 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.267 1.094 -17.730 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.786 4.582 -12.055 1.00 0.00 H new