USER MOD reduce.3.24.130724 H: found=0, std=0, add=1210, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1210 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 130 LYS NZ :NH3+ -168:sc= -7.82! (180deg=-8.99!) USER MOD Set 1.2: A 136 SER OG : rot -80:sc= 0 USER MOD Set 2.1: A 112 GLN : amide:sc= -0.893 K(o=-1.2,f=-5.2!) USER MOD Set 2.2: A 114 ASN : amide:sc= -0.292 K(o=-1.2,f=-8.3!) USER MOD Set 3.1: A 98 ASN : amide:sc= -1.99 K(o=-2.6,f=-5.4!) USER MOD Set 3.2: A 99 ASN : amide:sc= -0.656 K(o=-2.6,f=-5.4) USER MOD Set 4.1: A 61 HIS : no HD1:sc= -9! C(o=-16!,f=-22!) USER MOD Set 4.2: A 80 CYS SG : rot 47:sc= -7.37! USER MOD Set 5.1: A 55 SER OG : rot -33:sc= -0.153 USER MOD Set 5.2: A 56 ASN : amide:sc= -0.988 K(o=-1.1,f=-0.33) USER MOD Set 6.1: A 33 SER OG : rot -124:sc= 0.0439 USER MOD Set 6.2: A 39 ASN : amide:sc= -2.51! C(o=-2.5!,f=-4.3!) USER MOD Set 7.1: A 4 HIS : no HD1:sc= -0.904 K(o=-0.9,f=-1.6) USER MOD Set 7.2: A 5 HIS : no HD1:sc= 0 X(o=-0.9,f=-0.92) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0245 (180deg=-0.293) USER MOD Single : A 2 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.064) USER MOD Single : A 3 HIS : no HD1:sc=-0.00693 X(o=-0.0069,f=-0.2) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.812 K(o=-0.81,f=0.059) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= -0.0404 (180deg=-0.204) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -4.09! K(o=-4.1!,f=-0.55) USER MOD Single : A 17 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.067) USER MOD Single : A 19 SER OG : rot 36:sc= 0.665 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -23:sc= 0.579 USER MOD Single : A 29 THR OG1 : rot 44:sc= 0.254 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.356 K(o=-0.36,f=-3.7!) USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= -3.98! (180deg=-4.64!) USER MOD Single : A 46 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.14) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0309 (180deg=-0.255) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -170:sc= -1.67! USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 60 ASN : amide:sc= -1.06 K(o=-1.1,f=-2) USER MOD Single : A 64 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 69 ASN : amide:sc= -1.39! K(o=-1.4!,f=-0.047) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 172:sc= 0 (180deg=-0.0999) USER MOD Single : A 76 LYS NZ :NH3+ -154:sc= -10.1! (180deg=-10.9!) USER MOD Single : A 77 SER OG : rot -93:sc= -0.279 USER MOD Single : A 90 LYS NZ :NH3+ 140:sc= 0 (180deg=-0.923) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.919 K(o=-0.92,f=0) USER MOD Single : A 102 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0416) USER MOD Single : A 105 GLN : amide:sc= -2.67! K(o=-2.7!,f=-0.086) USER MOD Single : A 107 LYS NZ :NH3+ -138:sc= -1.1 (180deg=-4.48!) USER MOD Single : A 111 LYS NZ :NH3+ -170:sc= -0.521 (180deg=-0.648) USER MOD Single : A 115 HIS : no HD1:sc=5.52e-05 X(o=5.5e-05,f=-0.4) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 126 THR OG1 : rot -138:sc= -1.19! USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= -0.114! USER MOD Single : A 144 LYS NZ :NH3+ -125:sc= -0.96 (180deg=-2.9!) USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.010 -37.244 -13.936 1.00 49.86 N ATOM 2 CA MET A 1 4.249 -36.695 -12.784 1.00 49.83 C ATOM 3 C MET A 1 2.873 -36.207 -13.224 1.00 49.39 C ATOM 4 O MET A 1 1.866 -36.496 -12.578 1.00 49.33 O ATOM 5 CB MET A 1 5.024 -35.544 -12.143 1.00 50.04 C ATOM 6 CG MET A 1 6.400 -35.943 -11.636 1.00 50.55 C ATOM 7 SD MET A 1 7.284 -34.565 -10.878 1.00 50.77 S ATOM 8 CE MET A 1 8.810 -35.367 -10.391 1.00 51.02 C ATOM 0 H1 MET A 1 5.821 -37.793 -13.586 1.00 49.86 H new ATOM 0 H2 MET A 1 4.390 -37.861 -14.499 1.00 49.86 H new ATOM 0 H3 MET A 1 5.352 -36.462 -14.530 1.00 49.86 H new ATOM 0 HA MET A 1 4.117 -37.493 -12.053 1.00 49.83 H new ATOM 0 HB2 MET A 1 5.134 -34.741 -12.872 1.00 50.04 H new ATOM 0 HB3 MET A 1 4.442 -35.144 -11.313 1.00 50.04 H new ATOM 0 HG2 MET A 1 6.296 -36.748 -10.908 1.00 50.55 H new ATOM 0 HG3 MET A 1 6.989 -36.336 -12.465 1.00 50.55 H new ATOM 0 HE1 MET A 1 9.464 -34.642 -9.906 1.00 51.02 H new ATOM 0 HE2 MET A 1 8.589 -36.178 -9.697 1.00 51.02 H new ATOM 0 HE3 MET A 1 9.307 -35.770 -11.273 1.00 51.02 H new ATOM 20 N HIS A 2 2.839 -35.467 -14.328 1.00 49.14 N ATOM 21 CA HIS A 2 1.587 -34.935 -14.855 1.00 48.76 C ATOM 22 C HIS A 2 0.831 -35.994 -15.649 1.00 48.61 C ATOM 23 O HIS A 2 1.423 -36.745 -16.426 1.00 48.62 O ATOM 24 CB HIS A 2 1.857 -33.713 -15.738 1.00 48.61 C ATOM 25 CG HIS A 2 2.766 -33.995 -16.895 1.00 48.88 C ATOM 26 ND1 HIS A 2 2.303 -34.291 -18.162 1.00 48.99 N ATOM 27 CD2 HIS A 2 4.117 -34.024 -16.976 1.00 49.11 C ATOM 28 CE1 HIS A 2 3.330 -34.489 -18.969 1.00 49.28 C ATOM 29 NE2 HIS A 2 4.442 -34.331 -18.274 1.00 49.36 N ATOM 0 H HIS A 2 3.664 -35.222 -14.875 1.00 49.14 H new ATOM 0 HA HIS A 2 0.968 -34.635 -14.009 1.00 48.76 H new ATOM 0 HB2 HIS A 2 0.908 -33.333 -16.117 1.00 48.61 H new ATOM 0 HB3 HIS A 2 2.295 -32.924 -15.127 1.00 48.61 H new ATOM 0 HD2 HIS A 2 4.811 -33.840 -16.169 1.00 49.11 H new ATOM 0 HE1 HIS A 2 3.270 -34.738 -20.018 1.00 49.28 H new ATOM 0 HE2 HIS A 2 5.389 -34.422 -18.642 1.00 49.36 H new ATOM 38 N HIS A 3 -0.482 -36.053 -15.445 1.00 48.51 N ATOM 39 CA HIS A 3 -1.325 -37.019 -16.141 1.00 48.41 C ATOM 40 C HIS A 3 -2.596 -36.353 -16.659 1.00 47.69 C ATOM 41 O HIS A 3 -3.327 -36.929 -17.463 1.00 47.71 O ATOM 42 CB HIS A 3 -1.684 -38.178 -15.211 1.00 48.65 C ATOM 43 CG HIS A 3 -0.496 -38.968 -14.753 1.00 49.23 C ATOM 44 ND1 HIS A 3 0.164 -38.719 -13.568 1.00 49.67 N ATOM 45 CD2 HIS A 3 0.149 -40.012 -15.328 1.00 49.51 C ATOM 46 CE1 HIS A 3 1.163 -39.572 -13.434 1.00 50.18 C ATOM 47 NE2 HIS A 3 1.175 -40.366 -14.488 1.00 50.10 N ATOM 0 H HIS A 3 -0.986 -35.442 -14.802 1.00 48.51 H new ATOM 0 HA HIS A 3 -0.766 -37.408 -16.992 1.00 48.41 H new ATOM 0 HB2 HIS A 3 -2.207 -37.785 -14.339 1.00 48.65 H new ATOM 0 HB3 HIS A 3 -2.377 -38.844 -15.725 1.00 48.65 H new ATOM 0 HD2 HIS A 3 -0.098 -40.478 -16.270 1.00 49.51 H new ATOM 0 HE1 HIS A 3 1.852 -39.613 -12.604 1.00 50.18 H new ATOM 0 HE2 HIS A 3 1.840 -41.122 -14.652 1.00 50.10 H new ATOM 56 N HIS A 4 -2.849 -35.135 -16.190 1.00 47.09 N ATOM 57 CA HIS A 4 -4.030 -34.386 -16.603 1.00 46.41 C ATOM 58 C HIS A 4 -3.746 -33.596 -17.878 1.00 46.39 C ATOM 59 O HIS A 4 -2.608 -33.554 -18.348 1.00 46.85 O ATOM 60 CB HIS A 4 -4.472 -33.442 -15.481 1.00 45.73 C ATOM 61 CG HIS A 4 -5.878 -32.945 -15.630 1.00 45.44 C ATOM 62 ND1 HIS A 4 -6.196 -31.610 -15.756 1.00 45.50 N ATOM 63 CD2 HIS A 4 -7.054 -33.615 -15.673 1.00 45.16 C ATOM 64 CE1 HIS A 4 -7.506 -31.479 -15.867 1.00 45.26 C ATOM 65 NE2 HIS A 4 -8.049 -32.681 -15.821 1.00 45.05 N ATOM 0 H HIS A 4 -2.252 -34.646 -15.524 1.00 47.09 H new ATOM 0 HA HIS A 4 -4.835 -35.092 -16.809 1.00 46.41 H new ATOM 0 HB2 HIS A 4 -4.378 -33.958 -14.526 1.00 45.73 H new ATOM 0 HB3 HIS A 4 -3.796 -32.588 -15.449 1.00 45.73 H new ATOM 0 HD2 HIS A 4 -7.185 -34.685 -15.604 1.00 45.16 H new ATOM 0 HE1 HIS A 4 -8.041 -30.547 -15.977 1.00 45.26 H new ATOM 0 HE2 HIS A 4 -9.047 -32.883 -15.885 1.00 45.05 H new ATOM 74 N HIS A 5 -4.786 -32.979 -18.437 1.00 45.90 N ATOM 75 CA HIS A 5 -4.651 -32.190 -19.660 1.00 45.88 C ATOM 76 C HIS A 5 -4.179 -33.062 -20.821 1.00 45.61 C ATOM 77 O HIS A 5 -4.051 -34.279 -20.684 1.00 45.58 O ATOM 78 CB HIS A 5 -3.678 -31.027 -19.447 1.00 46.02 C ATOM 79 CG HIS A 5 -4.088 -30.093 -18.351 1.00 46.32 C ATOM 80 ND1 HIS A 5 -3.376 -29.948 -17.178 1.00 46.47 N ATOM 81 CD2 HIS A 5 -5.144 -29.249 -18.254 1.00 46.57 C ATOM 82 CE1 HIS A 5 -3.976 -29.056 -16.408 1.00 46.78 C ATOM 83 NE2 HIS A 5 -5.049 -28.619 -17.038 1.00 46.84 N ATOM 0 H HIS A 5 -5.734 -33.011 -18.061 1.00 45.90 H new ATOM 0 HA HIS A 5 -5.632 -31.785 -19.908 1.00 45.88 H new ATOM 0 HB2 HIS A 5 -2.690 -31.428 -19.220 1.00 46.02 H new ATOM 0 HB3 HIS A 5 -3.588 -30.465 -20.377 1.00 46.02 H new ATOM 0 HD2 HIS A 5 -5.916 -29.100 -18.995 1.00 46.57 H new ATOM 0 HE1 HIS A 5 -3.644 -28.739 -15.430 1.00 46.78 H new ATOM 0 HE2 HIS A 5 -5.704 -27.924 -16.679 1.00 46.84 H new ATOM 92 N HIS A 6 -3.921 -32.431 -21.962 1.00 45.48 N ATOM 93 CA HIS A 6 -3.466 -33.147 -23.148 1.00 45.30 C ATOM 94 C HIS A 6 -2.109 -32.630 -23.613 1.00 44.98 C ATOM 95 O HIS A 6 -1.741 -31.488 -23.335 1.00 44.86 O ATOM 96 CB HIS A 6 -4.491 -33.006 -24.276 1.00 45.32 C ATOM 97 CG HIS A 6 -5.832 -33.584 -23.943 1.00 45.57 C ATOM 98 ND1 HIS A 6 -6.248 -34.823 -24.382 1.00 45.97 N ATOM 99 CD2 HIS A 6 -6.854 -33.085 -23.208 1.00 45.54 C ATOM 100 CE1 HIS A 6 -7.468 -35.060 -23.935 1.00 46.17 C ATOM 101 NE2 HIS A 6 -7.857 -34.021 -23.220 1.00 45.91 N ATOM 0 H HIS A 6 -4.020 -31.424 -22.090 1.00 45.48 H new ATOM 0 HA HIS A 6 -3.361 -34.200 -22.887 1.00 45.30 H new ATOM 0 HB2 HIS A 6 -4.610 -31.950 -24.518 1.00 45.32 H new ATOM 0 HB3 HIS A 6 -4.105 -33.496 -25.170 1.00 45.32 H new ATOM 0 HD2 HIS A 6 -6.876 -32.129 -22.706 1.00 45.54 H new ATOM 0 HE1 HIS A 6 -8.048 -35.951 -24.122 1.00 46.17 H new ATOM 0 HE2 HIS A 6 -8.758 -33.929 -22.752 1.00 45.91 H new ATOM 110 N HIS A 7 -1.370 -33.477 -24.323 1.00 44.90 N ATOM 111 CA HIS A 7 -0.053 -33.106 -24.828 1.00 44.66 C ATOM 112 C HIS A 7 -0.137 -32.666 -26.286 1.00 44.00 C ATOM 113 O HIS A 7 -1.217 -32.651 -26.876 1.00 43.85 O ATOM 114 CB HIS A 7 0.923 -34.278 -24.688 1.00 45.10 C ATOM 115 CG HIS A 7 0.533 -35.488 -25.479 1.00 45.54 C ATOM 116 ND1 HIS A 7 1.235 -35.924 -26.582 1.00 45.83 N ATOM 117 CD2 HIS A 7 -0.489 -36.362 -25.318 1.00 45.79 C ATOM 118 CE1 HIS A 7 0.665 -37.012 -27.067 1.00 46.25 C ATOM 119 NE2 HIS A 7 -0.384 -37.299 -26.317 1.00 46.23 N ATOM 0 H HIS A 7 -1.661 -34.425 -24.562 1.00 44.90 H new ATOM 0 HA HIS A 7 0.314 -32.269 -24.235 1.00 44.66 H new ATOM 0 HB2 HIS A 7 1.914 -33.953 -25.004 1.00 45.10 H new ATOM 0 HB3 HIS A 7 0.998 -34.552 -23.636 1.00 45.10 H new ATOM 0 HD2 HIS A 7 -1.245 -36.329 -24.548 1.00 45.79 H new ATOM 0 HE1 HIS A 7 0.999 -37.571 -27.929 1.00 46.25 H new ATOM 0 HE2 HIS A 7 -1.014 -38.089 -26.457 1.00 46.23 H new ATOM 128 N LYS A 8 1.013 -32.308 -26.858 1.00 43.67 N ATOM 129 CA LYS A 8 1.084 -31.862 -28.249 1.00 43.08 C ATOM 130 C LYS A 8 0.315 -30.558 -28.448 1.00 42.49 C ATOM 131 O LYS A 8 -0.877 -30.477 -28.150 1.00 42.51 O ATOM 132 CB LYS A 8 0.544 -32.941 -29.194 1.00 43.05 C ATOM 133 CG LYS A 8 0.585 -32.547 -30.662 1.00 43.50 C ATOM 134 CD LYS A 8 2.011 -32.348 -31.152 1.00 43.68 C ATOM 135 CE LYS A 8 2.044 -31.875 -32.595 1.00 43.82 C ATOM 136 NZ LYS A 8 1.358 -32.829 -33.509 1.00 44.03 N ATOM 0 H LYS A 8 1.912 -32.319 -26.376 1.00 43.67 H new ATOM 0 HA LYS A 8 2.133 -31.682 -28.486 1.00 43.08 H new ATOM 0 HB2 LYS A 8 1.123 -33.854 -29.056 1.00 43.05 H new ATOM 0 HB3 LYS A 8 -0.485 -33.171 -28.918 1.00 43.05 H new ATOM 0 HG2 LYS A 8 0.099 -33.319 -31.259 1.00 43.50 H new ATOM 0 HG3 LYS A 8 0.019 -31.627 -30.808 1.00 43.50 H new ATOM 0 HD2 LYS A 8 2.516 -31.620 -30.518 1.00 43.68 H new ATOM 0 HD3 LYS A 8 2.561 -33.285 -31.063 1.00 43.68 H new ATOM 0 HE2 LYS A 8 1.568 -30.897 -32.667 1.00 43.82 H new ATOM 0 HE3 LYS A 8 3.079 -31.750 -32.912 1.00 43.82 H new ATOM 0 HZ1 LYS A 8 1.574 -32.581 -34.496 1.00 44.03 H new ATOM 0 HZ2 LYS A 8 1.689 -33.795 -33.314 1.00 44.03 H new ATOM 0 HZ3 LYS A 8 0.330 -32.778 -33.357 1.00 44.03 H new ATOM 150 N LEU A 9 1.009 -29.542 -28.958 1.00 42.00 N ATOM 151 CA LEU A 9 0.405 -28.234 -29.198 1.00 41.46 C ATOM 152 C LEU A 9 -0.122 -27.624 -27.901 1.00 40.65 C ATOM 153 O LEU A 9 0.576 -26.851 -27.247 1.00 40.68 O ATOM 154 CB LEU A 9 -0.726 -28.343 -30.227 1.00 41.50 C ATOM 155 CG LEU A 9 -0.297 -28.814 -31.618 1.00 42.05 C ATOM 156 CD1 LEU A 9 -1.514 -29.138 -32.470 1.00 42.37 C ATOM 157 CD2 LEU A 9 0.560 -27.754 -32.292 1.00 42.05 C ATOM 0 H LEU A 9 1.995 -29.601 -29.214 1.00 42.00 H new ATOM 0 HA LEU A 9 1.180 -27.578 -29.594 1.00 41.46 H new ATOM 0 HB2 LEU A 9 -1.479 -29.032 -29.844 1.00 41.50 H new ATOM 0 HB3 LEU A 9 -1.204 -27.368 -30.322 1.00 41.50 H new ATOM 0 HG LEU A 9 0.296 -29.722 -31.510 1.00 42.05 H new ATOM 0 HD11 LEU A 9 -1.190 -29.471 -33.456 1.00 42.37 H new ATOM 0 HD12 LEU A 9 -2.093 -29.928 -31.992 1.00 42.37 H new ATOM 0 HD13 LEU A 9 -2.133 -28.247 -32.574 1.00 42.37 H new ATOM 0 HD21 LEU A 9 0.858 -28.102 -33.281 1.00 42.05 H new ATOM 0 HD22 LEU A 9 -0.012 -26.831 -32.389 1.00 42.05 H new ATOM 0 HD23 LEU A 9 1.449 -27.568 -31.689 1.00 42.05 H new ATOM 169 N LYS A 10 -1.358 -27.988 -27.540 1.00 39.97 N ATOM 170 CA LYS A 10 -2.006 -27.491 -26.322 1.00 39.20 C ATOM 171 C LYS A 10 -1.753 -25.999 -26.112 1.00 38.40 C ATOM 172 O LYS A 10 -1.432 -25.274 -27.053 1.00 38.05 O ATOM 173 CB LYS A 10 -1.542 -28.290 -25.095 1.00 39.22 C ATOM 174 CG LYS A 10 -0.066 -28.133 -24.765 1.00 39.24 C ATOM 175 CD LYS A 10 0.299 -28.868 -23.486 1.00 39.35 C ATOM 176 CE LYS A 10 1.797 -28.818 -23.223 1.00 39.61 C ATOM 177 NZ LYS A 10 2.158 -29.491 -21.946 1.00 39.79 N ATOM 0 H LYS A 10 -1.934 -28.632 -28.081 1.00 39.97 H new ATOM 0 HA LYS A 10 -3.080 -27.630 -26.447 1.00 39.20 H new ATOM 0 HB2 LYS A 10 -2.130 -27.980 -24.231 1.00 39.22 H new ATOM 0 HB3 LYS A 10 -1.754 -29.346 -25.263 1.00 39.22 H new ATOM 0 HG2 LYS A 10 0.535 -28.515 -25.590 1.00 39.24 H new ATOM 0 HG3 LYS A 10 0.174 -27.075 -24.659 1.00 39.24 H new ATOM 0 HD2 LYS A 10 -0.234 -28.424 -22.645 1.00 39.35 H new ATOM 0 HD3 LYS A 10 -0.025 -29.906 -23.557 1.00 39.35 H new ATOM 0 HE2 LYS A 10 2.327 -29.295 -24.047 1.00 39.61 H new ATOM 0 HE3 LYS A 10 2.126 -27.779 -23.192 1.00 39.61 H new ATOM 0 HZ1 LYS A 10 3.187 -29.435 -21.803 1.00 39.79 H new ATOM 0 HZ2 LYS A 10 1.673 -29.020 -21.156 1.00 39.79 H new ATOM 0 HZ3 LYS A 10 1.867 -30.489 -21.985 1.00 39.79 H new ATOM 191 N THR A 11 -1.915 -25.543 -24.873 1.00 38.18 N ATOM 192 CA THR A 11 -1.704 -24.138 -24.542 1.00 37.48 C ATOM 193 C THR A 11 -0.217 -23.811 -24.458 1.00 37.28 C ATOM 194 O THR A 11 0.557 -24.551 -23.851 1.00 37.65 O ATOM 195 CB THR A 11 -2.373 -23.764 -23.208 1.00 37.42 C ATOM 196 OG1 THR A 11 -1.805 -24.532 -22.140 1.00 37.44 O ATOM 197 CG2 THR A 11 -3.875 -24.007 -23.266 1.00 37.23 C ATOM 0 H THR A 11 -2.191 -26.126 -24.083 1.00 38.18 H new ATOM 0 HA THR A 11 -2.160 -23.556 -25.343 1.00 37.48 H new ATOM 0 HB THR A 11 -2.198 -22.703 -23.027 1.00 37.42 H new ATOM 0 HG1 THR A 11 -2.236 -24.286 -21.295 1.00 37.44 H new ATOM 0 HG21 THR A 11 -4.325 -23.735 -22.311 1.00 37.23 H new ATOM 0 HG22 THR A 11 -4.312 -23.400 -24.059 1.00 37.23 H new ATOM 0 HG23 THR A 11 -4.066 -25.061 -23.470 1.00 37.23 H new ATOM 205 N GLU A 12 0.172 -22.699 -25.069 1.00 36.75 N ATOM 206 CA GLU A 12 1.566 -22.270 -25.062 1.00 36.57 C ATOM 207 C GLU A 12 1.872 -21.457 -23.807 1.00 35.74 C ATOM 208 O GLU A 12 1.036 -21.345 -22.911 1.00 35.57 O ATOM 209 CB GLU A 12 1.874 -21.441 -26.311 1.00 36.66 C ATOM 210 CG GLU A 12 1.540 -22.154 -27.612 1.00 36.80 C ATOM 211 CD GLU A 12 2.342 -23.427 -27.804 1.00 37.09 C ATOM 212 OE1 GLU A 12 1.898 -24.487 -27.316 1.00 36.81 O ATOM 213 OE2 GLU A 12 3.415 -23.362 -28.440 1.00 37.66 O ATOM 0 H GLU A 12 -0.458 -22.077 -25.576 1.00 36.75 H new ATOM 0 HA GLU A 12 2.197 -23.159 -25.063 1.00 36.57 H new ATOM 0 HB2 GLU A 12 1.314 -20.507 -26.264 1.00 36.66 H new ATOM 0 HB3 GLU A 12 2.932 -21.179 -26.311 1.00 36.66 H new ATOM 0 HG2 GLU A 12 0.477 -22.393 -27.628 1.00 36.80 H new ATOM 0 HG3 GLU A 12 1.728 -21.481 -28.449 1.00 36.80 H new ATOM 220 N GLN A 13 3.074 -20.892 -23.749 1.00 35.29 N ATOM 221 CA GLN A 13 3.486 -20.091 -22.603 1.00 34.52 C ATOM 222 C GLN A 13 2.885 -18.691 -22.675 1.00 33.80 C ATOM 223 O GLN A 13 2.181 -18.259 -21.762 1.00 33.55 O ATOM 224 CB GLN A 13 5.013 -20.000 -22.529 1.00 34.48 C ATOM 225 CG GLN A 13 5.692 -21.331 -22.246 1.00 34.78 C ATOM 226 CD GLN A 13 5.625 -22.290 -23.420 1.00 34.84 C ATOM 227 OE1 GLN A 13 5.568 -23.507 -23.238 1.00 35.11 O ATOM 228 NE2 GLN A 13 5.639 -21.748 -24.633 1.00 34.65 N ATOM 0 H GLN A 13 3.779 -20.974 -24.482 1.00 35.29 H new ATOM 0 HA GLN A 13 3.118 -20.582 -21.702 1.00 34.52 H new ATOM 0 HB2 GLN A 13 5.390 -19.603 -23.471 1.00 34.48 H new ATOM 0 HB3 GLN A 13 5.288 -19.289 -21.750 1.00 34.48 H new ATOM 0 HG2 GLN A 13 6.736 -21.153 -21.988 1.00 34.78 H new ATOM 0 HG3 GLN A 13 5.224 -21.795 -21.378 1.00 34.78 H new ATOM 0 HE21 GLN A 13 5.687 -20.735 -24.738 1.00 34.65 H new ATOM 0 HE22 GLN A 13 5.602 -22.345 -25.459 1.00 34.65 H new ATOM 237 N GLY A 14 3.170 -17.984 -23.765 1.00 33.56 N ATOM 238 CA GLY A 14 2.649 -16.641 -23.936 1.00 32.95 C ATOM 239 C GLY A 14 3.551 -15.768 -24.786 1.00 32.45 C ATOM 240 O GLY A 14 4.416 -16.270 -25.505 1.00 32.69 O ATOM 0 H GLY A 14 3.753 -18.318 -24.533 1.00 33.56 H new ATOM 0 HA2 GLY A 14 1.663 -16.694 -24.397 1.00 32.95 H new ATOM 0 HA3 GLY A 14 2.519 -16.179 -22.958 1.00 32.95 H new ATOM 244 N GLY A 15 3.349 -14.457 -24.703 1.00 31.82 N ATOM 245 CA GLY A 15 4.156 -13.528 -25.474 1.00 31.37 C ATOM 246 C GLY A 15 3.504 -12.164 -25.602 1.00 30.43 C ATOM 247 O GLY A 15 3.795 -11.253 -24.825 1.00 29.95 O ATOM 0 H GLY A 15 2.640 -14.020 -24.114 1.00 31.82 H new ATOM 0 HA2 GLY A 15 5.131 -13.418 -25.000 1.00 31.37 H new ATOM 0 HA3 GLY A 15 4.329 -13.940 -26.468 1.00 31.37 H new ATOM 251 N ALA A 16 2.620 -12.023 -26.586 1.00 30.22 N ATOM 252 CA ALA A 16 1.924 -10.762 -26.814 1.00 29.40 C ATOM 253 C ALA A 16 0.894 -10.501 -25.721 1.00 28.56 C ATOM 254 O ALA A 16 0.100 -11.379 -25.381 1.00 28.55 O ATOM 255 CB ALA A 16 1.257 -10.768 -28.180 1.00 29.57 C ATOM 0 H ALA A 16 2.369 -12.767 -27.238 1.00 30.22 H new ATOM 0 HA ALA A 16 2.659 -9.958 -26.785 1.00 29.40 H new ATOM 0 HB1 ALA A 16 0.741 -9.821 -28.337 1.00 29.57 H new ATOM 0 HB2 ALA A 16 2.013 -10.902 -28.954 1.00 29.57 H new ATOM 0 HB3 ALA A 16 0.538 -11.586 -28.230 1.00 29.57 H new ATOM 261 N HIS A 17 0.910 -9.290 -25.173 1.00 27.93 N ATOM 262 CA HIS A 17 -0.020 -8.916 -24.115 1.00 27.15 C ATOM 263 C HIS A 17 -1.423 -8.698 -24.671 1.00 26.44 C ATOM 264 O HIS A 17 -1.626 -8.683 -25.886 1.00 26.63 O ATOM 265 CB HIS A 17 0.464 -7.649 -23.404 1.00 27.33 C ATOM 266 CG HIS A 17 0.556 -6.455 -24.302 1.00 27.68 C ATOM 267 ND1 HIS A 17 -0.458 -5.530 -24.431 1.00 28.22 N ATOM 268 CD2 HIS A 17 1.552 -6.035 -25.119 1.00 27.66 C ATOM 269 CE1 HIS A 17 -0.092 -4.593 -25.288 1.00 28.51 C ATOM 270 NE2 HIS A 17 1.123 -4.875 -25.720 1.00 28.19 N ATOM 0 H HIS A 17 1.558 -8.551 -25.445 1.00 27.93 H new ATOM 0 HA HIS A 17 -0.059 -9.735 -23.397 1.00 27.15 H new ATOM 0 HB2 HIS A 17 -0.214 -7.423 -22.581 1.00 27.33 H new ATOM 0 HB3 HIS A 17 1.444 -7.840 -22.966 1.00 27.33 H new ATOM 0 HD2 HIS A 17 2.505 -6.521 -25.270 1.00 27.66 H new ATOM 0 HE1 HIS A 17 -0.686 -3.741 -25.585 1.00 28.51 H new ATOM 0 HE2 HIS A 17 1.657 -4.322 -26.391 1.00 28.19 H new ATOM 279 N PHE A 18 -2.389 -8.529 -23.773 1.00 25.71 N ATOM 280 CA PHE A 18 -3.776 -8.309 -24.167 1.00 25.05 C ATOM 281 C PHE A 18 -4.218 -6.893 -23.806 1.00 24.04 C ATOM 282 O PHE A 18 -3.587 -6.230 -22.981 1.00 24.10 O ATOM 283 CB PHE A 18 -4.685 -9.336 -23.489 1.00 24.71 C ATOM 284 CG PHE A 18 -6.080 -9.372 -24.046 1.00 25.18 C ATOM 285 CD1 PHE A 18 -6.355 -10.062 -25.216 1.00 25.75 C ATOM 286 CD2 PHE A 18 -7.117 -8.719 -23.399 1.00 25.14 C ATOM 287 CE1 PHE A 18 -7.638 -10.098 -25.730 1.00 26.27 C ATOM 288 CE2 PHE A 18 -8.401 -8.751 -23.907 1.00 25.67 C ATOM 289 CZ PHE A 18 -8.661 -9.443 -25.075 1.00 26.23 C ATOM 0 H PHE A 18 -2.236 -8.540 -22.765 1.00 25.71 H new ATOM 0 HA PHE A 18 -3.853 -8.429 -25.248 1.00 25.05 H new ATOM 0 HB2 PHE A 18 -4.238 -10.325 -23.589 1.00 24.71 H new ATOM 0 HB3 PHE A 18 -4.735 -9.115 -22.423 1.00 24.71 H new ATOM 0 HD1 PHE A 18 -5.558 -10.577 -25.732 1.00 25.75 H new ATOM 0 HD2 PHE A 18 -6.919 -8.178 -22.486 1.00 25.14 H new ATOM 0 HE1 PHE A 18 -7.839 -10.638 -26.643 1.00 26.27 H new ATOM 0 HE2 PHE A 18 -9.200 -8.237 -23.393 1.00 25.67 H new ATOM 0 HZ PHE A 18 -9.664 -9.471 -25.475 1.00 26.23 H new ATOM 299 N SER A 19 -5.304 -6.436 -24.424 1.00 23.20 N ATOM 300 CA SER A 19 -5.822 -5.097 -24.164 1.00 22.24 C ATOM 301 C SER A 19 -6.572 -5.050 -22.837 1.00 21.39 C ATOM 302 O SER A 19 -7.645 -5.638 -22.696 1.00 21.01 O ATOM 303 CB SER A 19 -6.744 -4.654 -25.303 1.00 21.81 C ATOM 304 OG SER A 19 -7.836 -5.547 -25.453 1.00 21.62 O ATOM 0 H SER A 19 -5.841 -6.972 -25.106 1.00 23.20 H new ATOM 0 HA SER A 19 -4.976 -4.413 -24.104 1.00 22.24 H new ATOM 0 HB2 SER A 19 -7.117 -3.649 -25.103 1.00 21.81 H new ATOM 0 HB3 SER A 19 -6.179 -4.605 -26.234 1.00 21.81 H new ATOM 0 HG SER A 19 -8.121 -5.866 -24.571 1.00 21.62 H new ATOM 310 N VAL A 20 -5.997 -4.347 -21.865 1.00 21.20 N ATOM 311 CA VAL A 20 -6.602 -4.221 -20.545 1.00 20.51 C ATOM 312 C VAL A 20 -7.303 -2.875 -20.389 1.00 19.53 C ATOM 313 O VAL A 20 -6.896 -1.880 -20.989 1.00 19.54 O ATOM 314 CB VAL A 20 -5.547 -4.373 -19.432 1.00 21.01 C ATOM 315 CG1 VAL A 20 -6.205 -4.376 -18.059 1.00 21.23 C ATOM 316 CG2 VAL A 20 -4.728 -5.636 -19.641 1.00 21.60 C ATOM 0 H VAL A 20 -5.110 -3.855 -21.969 1.00 21.20 H new ATOM 0 HA VAL A 20 -7.337 -5.021 -20.452 1.00 20.51 H new ATOM 0 HB VAL A 20 -4.874 -3.517 -19.481 1.00 21.01 H new ATOM 0 HG11 VAL A 20 -5.441 -4.484 -17.289 1.00 21.23 H new ATOM 0 HG12 VAL A 20 -6.740 -3.438 -17.910 1.00 21.23 H new ATOM 0 HG13 VAL A 20 -6.906 -5.208 -17.993 1.00 21.23 H new ATOM 0 HG21 VAL A 20 -3.988 -5.726 -18.845 1.00 21.60 H new ATOM 0 HG22 VAL A 20 -5.387 -6.504 -19.624 1.00 21.60 H new ATOM 0 HG23 VAL A 20 -4.220 -5.585 -20.604 1.00 21.60 H new ATOM 326 N SER A 21 -8.358 -2.852 -19.578 1.00 18.78 N ATOM 327 CA SER A 21 -9.115 -1.627 -19.339 1.00 17.88 C ATOM 328 C SER A 21 -8.236 -0.554 -18.706 1.00 17.66 C ATOM 329 O SER A 21 -7.112 -0.826 -18.283 1.00 17.71 O ATOM 330 CB SER A 21 -10.314 -1.915 -18.432 1.00 17.04 C ATOM 331 OG SER A 21 -11.177 -2.877 -19.015 1.00 17.27 O ATOM 0 H SER A 21 -8.708 -3.668 -19.076 1.00 18.78 H new ATOM 0 HA SER A 21 -9.470 -1.258 -20.301 1.00 17.88 H new ATOM 0 HB2 SER A 21 -9.964 -2.275 -17.465 1.00 17.04 H new ATOM 0 HB3 SER A 21 -10.865 -0.992 -18.248 1.00 17.04 H new ATOM 0 HG SER A 21 -11.934 -3.044 -18.415 1.00 17.27 H new ATOM 337 N SER A 22 -8.758 0.667 -18.645 1.00 17.52 N ATOM 338 CA SER A 22 -8.026 1.785 -18.064 1.00 17.46 C ATOM 339 C SER A 22 -8.988 2.855 -17.559 1.00 16.36 C ATOM 340 O SER A 22 -8.581 3.803 -16.886 1.00 16.16 O ATOM 341 CB SER A 22 -7.070 2.389 -19.094 1.00 18.42 C ATOM 342 OG SER A 22 -7.775 2.848 -20.235 1.00 18.99 O ATOM 0 H SER A 22 -9.687 0.907 -18.992 1.00 17.52 H new ATOM 0 HA SER A 22 -7.447 1.410 -17.220 1.00 17.46 H new ATOM 0 HB2 SER A 22 -6.521 3.216 -18.644 1.00 18.42 H new ATOM 0 HB3 SER A 22 -6.334 1.643 -19.393 1.00 18.42 H new ATOM 0 HG SER A 22 -7.143 3.231 -20.878 1.00 18.99 H new ATOM 348 N LEU A 23 -10.266 2.692 -17.887 1.00 15.75 N ATOM 349 CA LEU A 23 -11.290 3.640 -17.469 1.00 14.76 C ATOM 350 C LEU A 23 -11.465 3.611 -15.953 1.00 13.81 C ATOM 351 O LEU A 23 -11.291 4.628 -15.280 1.00 13.33 O ATOM 352 CB LEU A 23 -12.620 3.319 -18.166 1.00 14.64 C ATOM 353 CG LEU A 23 -13.573 4.504 -18.359 1.00 14.40 C ATOM 354 CD1 LEU A 23 -13.975 5.111 -17.022 1.00 14.22 C ATOM 355 CD2 LEU A 23 -12.933 5.552 -19.254 1.00 14.69 C ATOM 0 H LEU A 23 -10.616 1.911 -18.442 1.00 15.75 H new ATOM 0 HA LEU A 23 -10.973 4.642 -17.757 1.00 14.76 H new ATOM 0 HB2 LEU A 23 -12.402 2.889 -19.144 1.00 14.64 H new ATOM 0 HB3 LEU A 23 -13.136 2.552 -17.588 1.00 14.64 H new ATOM 0 HG LEU A 23 -14.479 4.137 -18.842 1.00 14.40 H new ATOM 0 HD11 LEU A 23 -14.651 5.949 -17.191 1.00 14.22 H new ATOM 0 HD12 LEU A 23 -14.477 4.357 -16.416 1.00 14.22 H new ATOM 0 HD13 LEU A 23 -13.085 5.462 -16.500 1.00 14.22 H new ATOM 0 HD21 LEU A 23 -13.620 6.388 -19.383 1.00 14.69 H new ATOM 0 HD22 LEU A 23 -12.010 5.908 -18.795 1.00 14.69 H new ATOM 0 HD23 LEU A 23 -12.709 5.113 -20.226 1.00 14.69 H new ATOM 367 N ALA A 24 -11.809 2.442 -15.424 1.00 13.66 N ATOM 368 CA ALA A 24 -12.006 2.284 -13.987 1.00 12.88 C ATOM 369 C ALA A 24 -10.678 2.069 -13.270 1.00 13.35 C ATOM 370 O ALA A 24 -10.264 0.933 -13.035 1.00 13.68 O ATOM 371 CB ALA A 24 -12.955 1.128 -13.704 1.00 12.68 C ATOM 0 H ALA A 24 -11.957 1.591 -15.967 1.00 13.66 H new ATOM 0 HA ALA A 24 -12.450 3.203 -13.606 1.00 12.88 H new ATOM 0 HB1 ALA A 24 -13.091 1.024 -12.628 1.00 12.68 H new ATOM 0 HB2 ALA A 24 -13.919 1.325 -14.174 1.00 12.68 H new ATOM 0 HB3 ALA A 24 -12.536 0.206 -14.107 1.00 12.68 H new ATOM 377 N GLU A 25 -10.011 3.169 -12.932 1.00 13.54 N ATOM 378 CA GLU A 25 -8.729 3.108 -12.238 1.00 14.15 C ATOM 379 C GLU A 25 -8.269 4.505 -11.833 1.00 14.02 C ATOM 380 O GLU A 25 -7.730 4.700 -10.743 1.00 14.18 O ATOM 381 CB GLU A 25 -7.670 2.450 -13.126 1.00 15.41 C ATOM 382 CG GLU A 25 -6.365 2.162 -12.405 1.00 16.17 C ATOM 383 CD GLU A 25 -5.329 1.517 -13.306 1.00 17.14 C ATOM 384 OE1 GLU A 25 -5.342 0.274 -13.429 1.00 17.82 O ATOM 385 OE2 GLU A 25 -4.506 2.254 -13.888 1.00 17.31 O ATOM 0 H GLU A 25 -10.338 4.115 -13.128 1.00 13.54 H new ATOM 0 HA GLU A 25 -8.860 2.507 -11.338 1.00 14.15 H new ATOM 0 HB2 GLU A 25 -8.070 1.517 -13.523 1.00 15.41 H new ATOM 0 HB3 GLU A 25 -7.469 3.099 -13.979 1.00 15.41 H new ATOM 0 HG2 GLU A 25 -5.963 3.092 -12.004 1.00 16.17 H new ATOM 0 HG3 GLU A 25 -6.560 1.507 -11.556 1.00 16.17 H new ATOM 392 N GLY A 26 -8.488 5.473 -12.718 1.00 13.89 N ATOM 393 CA GLY A 26 -8.096 6.842 -12.438 1.00 13.98 C ATOM 394 C GLY A 26 -9.256 7.810 -12.549 1.00 12.94 C ATOM 395 O GLY A 26 -9.172 8.949 -12.085 1.00 12.80 O ATOM 0 H GLY A 26 -8.931 5.333 -13.626 1.00 13.89 H new ATOM 0 HA2 GLY A 26 -7.674 6.898 -11.434 1.00 13.98 H new ATOM 0 HA3 GLY A 26 -7.310 7.141 -13.131 1.00 13.98 H new ATOM 399 N SER A 27 -10.343 7.360 -13.171 1.00 12.37 N ATOM 400 CA SER A 27 -11.528 8.192 -13.344 1.00 11.49 C ATOM 401 C SER A 27 -12.463 8.063 -12.147 1.00 10.35 C ATOM 402 O SER A 27 -13.437 8.805 -12.022 1.00 9.82 O ATOM 403 CB SER A 27 -12.268 7.804 -14.626 1.00 11.88 C ATOM 404 OG SER A 27 -13.434 8.588 -14.800 1.00 12.02 O ATOM 0 H SER A 27 -10.426 6.422 -13.564 1.00 12.37 H new ATOM 0 HA SER A 27 -11.203 9.230 -13.420 1.00 11.49 H new ATOM 0 HB2 SER A 27 -11.608 7.934 -15.484 1.00 11.88 H new ATOM 0 HB3 SER A 27 -12.538 6.749 -14.588 1.00 11.88 H new ATOM 0 HG SER A 27 -13.729 8.933 -13.931 1.00 12.02 H new ATOM 410 N VAL A 28 -12.157 7.116 -11.265 1.00 10.16 N ATOM 411 CA VAL A 28 -12.968 6.887 -10.075 1.00 9.27 C ATOM 412 C VAL A 28 -12.805 8.021 -9.068 1.00 8.45 C ATOM 413 O VAL A 28 -13.789 8.519 -8.521 1.00 8.35 O ATOM 414 CB VAL A 28 -12.613 5.548 -9.400 1.00 9.59 C ATOM 415 CG1 VAL A 28 -13.197 4.385 -10.185 1.00 9.64 C ATOM 416 CG2 VAL A 28 -11.104 5.399 -9.264 1.00 10.00 C ATOM 0 H VAL A 28 -11.353 6.495 -11.353 1.00 10.16 H new ATOM 0 HA VAL A 28 -14.007 6.850 -10.403 1.00 9.27 H new ATOM 0 HB VAL A 28 -13.048 5.541 -8.401 1.00 9.59 H new ATOM 0 HG11 VAL A 28 -12.936 3.447 -9.694 1.00 9.64 H new ATOM 0 HG12 VAL A 28 -14.282 4.483 -10.228 1.00 9.64 H new ATOM 0 HG13 VAL A 28 -12.792 4.389 -11.197 1.00 9.64 H new ATOM 0 HG21 VAL A 28 -10.874 4.447 -8.785 1.00 10.00 H new ATOM 0 HG22 VAL A 28 -10.645 5.428 -10.252 1.00 10.00 H new ATOM 0 HG23 VAL A 28 -10.711 6.215 -8.657 1.00 10.00 H new ATOM 426 N THR A 29 -11.557 8.427 -8.832 1.00 8.07 N ATOM 427 CA THR A 29 -11.256 9.510 -7.894 1.00 7.43 C ATOM 428 C THR A 29 -12.016 9.354 -6.582 1.00 6.54 C ATOM 429 O THR A 29 -12.398 10.344 -5.954 1.00 6.70 O ATOM 430 CB THR A 29 -11.587 10.888 -8.498 1.00 7.68 C ATOM 431 OG1 THR A 29 -12.732 10.794 -9.356 1.00 7.76 O ATOM 432 CG2 THR A 29 -10.402 11.439 -9.279 1.00 8.66 C ATOM 0 H THR A 29 -10.735 8.021 -9.279 1.00 8.07 H new ATOM 0 HA THR A 29 -10.186 9.449 -7.694 1.00 7.43 H new ATOM 0 HB THR A 29 -11.809 11.570 -7.677 1.00 7.68 H new ATOM 0 HG1 THR A 29 -13.419 10.244 -8.925 1.00 7.76 H new ATOM 0 HG21 THR A 29 -10.661 12.412 -9.695 1.00 8.66 H new ATOM 0 HG22 THR A 29 -9.545 11.546 -8.613 1.00 8.66 H new ATOM 0 HG23 THR A 29 -10.149 10.754 -10.088 1.00 8.66 H new ATOM 440 N SER A 30 -12.226 8.114 -6.162 1.00 5.91 N ATOM 441 CA SER A 30 -12.947 7.847 -4.925 1.00 5.24 C ATOM 442 C SER A 30 -12.186 6.864 -4.042 1.00 4.31 C ATOM 443 O SER A 30 -11.792 5.786 -4.489 1.00 4.35 O ATOM 444 CB SER A 30 -14.339 7.316 -5.240 1.00 5.60 C ATOM 445 OG SER A 30 -15.011 6.906 -4.061 1.00 5.98 O ATOM 0 H SER A 30 -11.909 7.280 -6.657 1.00 5.91 H new ATOM 0 HA SER A 30 -13.039 8.783 -4.374 1.00 5.24 H new ATOM 0 HB2 SER A 30 -14.920 8.089 -5.743 1.00 5.60 H new ATOM 0 HB3 SER A 30 -14.263 6.475 -5.929 1.00 5.60 H new ATOM 0 HG SER A 30 -15.903 6.571 -4.292 1.00 5.98 H new ATOM 451 N VAL A 31 -11.988 7.244 -2.783 1.00 3.84 N ATOM 452 CA VAL A 31 -11.271 6.404 -1.831 1.00 3.07 C ATOM 453 C VAL A 31 -11.897 6.500 -0.437 1.00 2.92 C ATOM 454 O VAL A 31 -11.205 6.466 0.581 1.00 3.01 O ATOM 455 CB VAL A 31 -9.777 6.797 -1.771 1.00 2.76 C ATOM 456 CG1 VAL A 31 -9.597 8.176 -1.153 1.00 2.94 C ATOM 457 CG2 VAL A 31 -8.976 5.746 -1.014 1.00 2.93 C ATOM 0 H VAL A 31 -12.315 8.130 -2.399 1.00 3.84 H new ATOM 0 HA VAL A 31 -11.347 5.372 -2.173 1.00 3.07 H new ATOM 0 HB VAL A 31 -9.397 6.842 -2.792 1.00 2.76 H new ATOM 0 HG11 VAL A 31 -8.536 8.426 -1.124 1.00 2.94 H new ATOM 0 HG12 VAL A 31 -10.128 8.916 -1.753 1.00 2.94 H new ATOM 0 HG13 VAL A 31 -9.998 8.176 -0.139 1.00 2.94 H new ATOM 0 HG21 VAL A 31 -7.927 6.041 -0.983 1.00 2.93 H new ATOM 0 HG22 VAL A 31 -9.359 5.659 0.003 1.00 2.93 H new ATOM 0 HG23 VAL A 31 -9.068 4.785 -1.520 1.00 2.93 H new ATOM 467 N GLY A 32 -13.222 6.603 -0.400 1.00 3.31 N ATOM 468 CA GLY A 32 -13.922 6.706 0.868 1.00 3.61 C ATOM 469 C GLY A 32 -13.781 5.459 1.725 1.00 3.34 C ATOM 470 O GLY A 32 -14.264 5.420 2.858 1.00 3.80 O ATOM 0 H GLY A 32 -13.823 6.617 -1.224 1.00 3.31 H new ATOM 0 HA2 GLY A 32 -13.539 7.565 1.420 1.00 3.61 H new ATOM 0 HA3 GLY A 32 -14.979 6.893 0.679 1.00 3.61 H new ATOM 474 N SER A 33 -13.120 4.438 1.188 1.00 3.04 N ATOM 475 CA SER A 33 -12.916 3.189 1.916 1.00 3.12 C ATOM 476 C SER A 33 -11.608 3.220 2.700 1.00 2.57 C ATOM 477 O SER A 33 -10.643 3.868 2.291 1.00 3.22 O ATOM 478 CB SER A 33 -12.915 2.004 0.948 1.00 3.93 C ATOM 479 OG SER A 33 -12.707 0.783 1.636 1.00 4.22 O ATOM 0 H SER A 33 -12.716 4.450 0.251 1.00 3.04 H new ATOM 0 HA SER A 33 -13.738 3.073 2.622 1.00 3.12 H new ATOM 0 HB2 SER A 33 -13.864 1.967 0.413 1.00 3.93 H new ATOM 0 HB3 SER A 33 -12.133 2.142 0.201 1.00 3.93 H new ATOM 0 HG SER A 33 -11.936 0.317 1.249 1.00 4.22 H new ATOM 485 N VAL A 34 -11.582 2.517 3.829 1.00 1.73 N ATOM 486 CA VAL A 34 -10.393 2.464 4.671 1.00 1.38 C ATOM 487 C VAL A 34 -9.364 1.496 4.098 1.00 1.36 C ATOM 488 O VAL A 34 -9.715 0.563 3.375 1.00 2.33 O ATOM 489 CB VAL A 34 -10.744 2.038 6.111 1.00 1.43 C ATOM 490 CG1 VAL A 34 -11.187 0.583 6.151 1.00 1.54 C ATOM 491 CG2 VAL A 34 -9.563 2.266 7.044 1.00 2.22 C ATOM 0 H VAL A 34 -12.372 1.976 4.181 1.00 1.73 H new ATOM 0 HA VAL A 34 -9.970 3.468 4.694 1.00 1.38 H new ATOM 0 HB VAL A 34 -11.574 2.656 6.454 1.00 1.43 H new ATOM 0 HG11 VAL A 34 -11.429 0.305 7.177 1.00 1.54 H new ATOM 0 HG12 VAL A 34 -12.068 0.453 5.522 1.00 1.54 H new ATOM 0 HG13 VAL A 34 -10.382 -0.053 5.783 1.00 1.54 H new ATOM 0 HG21 VAL A 34 -9.833 1.959 8.054 1.00 2.22 H new ATOM 0 HG22 VAL A 34 -8.710 1.679 6.702 1.00 2.22 H new ATOM 0 HG23 VAL A 34 -9.299 3.324 7.045 1.00 2.22 H new ATOM 501 N ASN A 35 -8.093 1.725 4.424 1.00 0.64 N ATOM 502 CA ASN A 35 -7.005 0.875 3.946 1.00 0.44 C ATOM 503 C ASN A 35 -6.988 0.813 2.427 1.00 0.38 C ATOM 504 O ASN A 35 -7.733 0.040 1.827 1.00 0.46 O ATOM 505 CB ASN A 35 -7.149 -0.538 4.499 1.00 0.48 C ATOM 506 CG ASN A 35 -5.817 -1.256 4.608 1.00 0.47 C ATOM 507 OD1 ASN A 35 -4.898 -1.006 3.830 1.00 1.16 O ATOM 508 ND2 ASN A 35 -5.710 -2.157 5.579 1.00 1.25 N ATOM 0 H ASN A 35 -7.791 2.496 5.020 1.00 0.64 H new ATOM 0 HA ASN A 35 -6.069 1.311 4.295 1.00 0.44 H new ATOM 0 HB2 ASN A 35 -7.616 -0.494 5.483 1.00 0.48 H new ATOM 0 HB3 ASN A 35 -7.816 -1.111 3.855 1.00 0.48 H new ATOM 0 HD21 ASN A 35 -4.839 -2.674 5.702 1.00 1.25 H new ATOM 0 HD22 ASN A 35 -6.499 -2.332 6.202 1.00 1.25 H new ATOM 515 N PRO A 36 -6.141 1.618 1.777 1.00 0.33 N ATOM 516 CA PRO A 36 -6.057 1.620 0.322 1.00 0.40 C ATOM 517 C PRO A 36 -5.649 0.268 -0.221 1.00 0.35 C ATOM 518 O PRO A 36 -5.948 -0.079 -1.363 1.00 0.48 O ATOM 519 CB PRO A 36 -4.977 2.651 0.010 1.00 0.47 C ATOM 520 CG PRO A 36 -4.240 2.863 1.288 1.00 0.27 C ATOM 521 CD PRO A 36 -5.213 2.583 2.389 1.00 0.30 C ATOM 0 HA PRO A 36 -7.020 1.849 -0.133 1.00 0.40 H new ATOM 0 HB2 PRO A 36 -4.308 2.293 -0.773 1.00 0.47 H new ATOM 0 HB3 PRO A 36 -5.416 3.582 -0.348 1.00 0.47 H new ATOM 0 HG2 PRO A 36 -3.378 2.199 1.354 1.00 0.27 H new ATOM 0 HG3 PRO A 36 -3.862 3.883 1.354 1.00 0.27 H new ATOM 0 HD2 PRO A 36 -4.719 2.166 3.267 1.00 0.30 H new ATOM 0 HD3 PRO A 36 -5.728 3.488 2.712 1.00 0.30 H new ATOM 529 N ALA A 37 -4.960 -0.488 0.615 1.00 0.27 N ATOM 530 CA ALA A 37 -4.482 -1.800 0.237 1.00 0.31 C ATOM 531 C ALA A 37 -5.602 -2.833 0.258 1.00 0.29 C ATOM 532 O ALA A 37 -5.597 -3.769 -0.535 1.00 0.35 O ATOM 533 CB ALA A 37 -3.354 -2.215 1.157 1.00 0.37 C ATOM 0 H ALA A 37 -4.719 -0.210 1.566 1.00 0.27 H new ATOM 0 HA ALA A 37 -4.111 -1.748 -0.787 1.00 0.31 H new ATOM 0 HB1 ALA A 37 -2.996 -3.204 0.870 1.00 0.37 H new ATOM 0 HB2 ALA A 37 -2.538 -1.497 1.079 1.00 0.37 H new ATOM 0 HB3 ALA A 37 -3.715 -2.244 2.185 1.00 0.37 H new ATOM 539 N GLU A 38 -6.565 -2.664 1.159 1.00 0.28 N ATOM 540 CA GLU A 38 -7.670 -3.608 1.249 1.00 0.30 C ATOM 541 C GLU A 38 -8.523 -3.554 -0.014 1.00 0.25 C ATOM 542 O GLU A 38 -9.114 -4.556 -0.413 1.00 0.25 O ATOM 543 CB GLU A 38 -8.522 -3.346 2.495 1.00 0.38 C ATOM 544 CG GLU A 38 -9.671 -2.373 2.279 1.00 0.39 C ATOM 545 CD GLU A 38 -10.537 -2.219 3.512 1.00 0.86 C ATOM 546 OE1 GLU A 38 -9.995 -1.851 4.576 1.00 1.46 O ATOM 547 OE2 GLU A 38 -11.757 -2.465 3.415 1.00 1.36 O ATOM 0 H GLU A 38 -6.602 -1.894 1.827 1.00 0.28 H new ATOM 0 HA GLU A 38 -7.252 -4.611 1.339 1.00 0.30 H new ATOM 0 HB2 GLU A 38 -8.927 -4.294 2.849 1.00 0.38 H new ATOM 0 HB3 GLU A 38 -7.878 -2.959 3.285 1.00 0.38 H new ATOM 0 HG2 GLU A 38 -9.271 -1.400 1.996 1.00 0.39 H new ATOM 0 HG3 GLU A 38 -10.285 -2.719 1.448 1.00 0.39 H new ATOM 554 N ASN A 39 -8.585 -2.379 -0.639 1.00 0.28 N ATOM 555 CA ASN A 39 -9.350 -2.220 -1.871 1.00 0.30 C ATOM 556 C ASN A 39 -8.709 -3.051 -2.972 1.00 0.24 C ATOM 557 O ASN A 39 -9.352 -3.924 -3.562 1.00 0.22 O ATOM 558 CB ASN A 39 -9.408 -0.748 -2.284 1.00 0.37 C ATOM 559 CG ASN A 39 -10.146 0.109 -1.273 1.00 1.22 C ATOM 560 OD1 ASN A 39 -10.139 -0.175 -0.075 1.00 2.04 O ATOM 561 ND2 ASN A 39 -10.788 1.168 -1.754 1.00 2.00 N ATOM 0 H ASN A 39 -8.119 -1.532 -0.315 1.00 0.28 H new ATOM 0 HA ASN A 39 -10.370 -2.565 -1.703 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -8.394 -0.368 -2.407 1.00 0.37 H new ATOM 0 HB3 ASN A 39 -9.899 -0.665 -3.254 1.00 0.37 H new ATOM 0 HD21 ASN A 39 -11.302 1.783 -1.123 1.00 2.00 H new ATOM 0 HD22 ASN A 39 -10.767 1.366 -2.754 1.00 2.00 H new ATOM 568 N PHE A 40 -7.433 -2.781 -3.240 1.00 0.23 N ATOM 569 CA PHE A 40 -6.703 -3.533 -4.246 1.00 0.21 C ATOM 570 C PHE A 40 -6.818 -5.012 -3.908 1.00 0.17 C ATOM 571 O PHE A 40 -6.989 -5.855 -4.786 1.00 0.19 O ATOM 572 CB PHE A 40 -5.231 -3.089 -4.294 1.00 0.23 C ATOM 573 CG PHE A 40 -4.237 -4.194 -4.052 1.00 0.95 C ATOM 574 CD1 PHE A 40 -3.813 -5.005 -5.093 1.00 1.59 C ATOM 575 CD2 PHE A 40 -3.732 -4.422 -2.783 1.00 1.48 C ATOM 576 CE1 PHE A 40 -2.904 -6.023 -4.869 1.00 2.32 C ATOM 577 CE2 PHE A 40 -2.823 -5.437 -2.553 1.00 2.20 C ATOM 578 CZ PHE A 40 -2.409 -6.238 -3.597 1.00 2.54 C ATOM 0 H PHE A 40 -6.891 -2.052 -2.776 1.00 0.23 H new ATOM 0 HA PHE A 40 -7.126 -3.348 -5.233 1.00 0.21 H new ATOM 0 HB2 PHE A 40 -5.030 -2.644 -5.269 1.00 0.23 H new ATOM 0 HB3 PHE A 40 -5.076 -2.308 -3.549 1.00 0.23 H new ATOM 0 HD1 PHE A 40 -4.196 -4.840 -6.089 1.00 1.59 H new ATOM 0 HD2 PHE A 40 -4.053 -3.798 -1.962 1.00 1.48 H new ATOM 0 HE1 PHE A 40 -2.581 -6.649 -5.688 1.00 2.32 H new ATOM 0 HE2 PHE A 40 -2.437 -5.603 -1.558 1.00 2.20 H new ATOM 0 HZ PHE A 40 -1.699 -7.032 -3.420 1.00 2.54 H new ATOM 588 N ARG A 41 -6.742 -5.303 -2.612 1.00 0.15 N ATOM 589 CA ARG A 41 -6.857 -6.663 -2.125 1.00 0.18 C ATOM 590 C ARG A 41 -8.225 -7.226 -2.478 1.00 0.21 C ATOM 591 O ARG A 41 -8.371 -8.414 -2.760 1.00 0.25 O ATOM 592 CB ARG A 41 -6.660 -6.710 -0.617 1.00 0.24 C ATOM 593 CG ARG A 41 -5.212 -6.662 -0.171 1.00 0.32 C ATOM 594 CD ARG A 41 -5.123 -6.365 1.313 1.00 0.33 C ATOM 595 NE ARG A 41 -3.755 -6.431 1.818 1.00 1.36 N ATOM 596 CZ ARG A 41 -3.428 -6.190 3.084 1.00 1.65 C ATOM 597 NH1 ARG A 41 -4.366 -5.861 3.964 1.00 1.07 N ATOM 598 NH2 ARG A 41 -2.164 -6.274 3.474 1.00 2.77 N ATOM 0 H ARG A 41 -6.600 -4.606 -1.881 1.00 0.15 H new ATOM 0 HA ARG A 41 -6.082 -7.266 -2.599 1.00 0.18 H new ATOM 0 HB2 ARG A 41 -7.194 -5.873 -0.167 1.00 0.24 H new ATOM 0 HB3 ARG A 41 -7.116 -7.622 -0.232 1.00 0.24 H new ATOM 0 HG2 ARG A 41 -4.727 -7.614 -0.387 1.00 0.32 H new ATOM 0 HG3 ARG A 41 -4.677 -5.897 -0.734 1.00 0.32 H new ATOM 0 HD2 ARG A 41 -5.530 -5.372 1.506 1.00 0.33 H new ATOM 0 HD3 ARG A 41 -5.743 -7.076 1.860 1.00 0.33 H new ATOM 0 HE ARG A 41 -3.010 -6.675 1.165 1.00 1.36 H new ATOM 0 HH11 ARG A 41 -5.340 -5.793 3.669 1.00 1.07 H new ATOM 0 HH12 ARG A 41 -4.113 -5.677 4.935 1.00 1.07 H new ATOM 0 HH21 ARG A 41 -1.439 -6.524 2.802 1.00 2.77 H new ATOM 0 HH22 ARG A 41 -1.917 -6.088 4.446 1.00 2.77 H new ATOM 612 N VAL A 42 -9.236 -6.363 -2.441 1.00 0.21 N ATOM 613 CA VAL A 42 -10.587 -6.773 -2.780 1.00 0.24 C ATOM 614 C VAL A 42 -10.629 -7.244 -4.223 1.00 0.20 C ATOM 615 O VAL A 42 -11.091 -8.342 -4.507 1.00 0.26 O ATOM 616 CB VAL A 42 -11.615 -5.636 -2.561 1.00 0.29 C ATOM 617 CG1 VAL A 42 -12.853 -5.842 -3.425 1.00 0.35 C ATOM 618 CG2 VAL A 42 -12.008 -5.557 -1.095 1.00 0.35 C ATOM 0 H VAL A 42 -9.142 -5.381 -2.181 1.00 0.21 H new ATOM 0 HA VAL A 42 -10.863 -7.591 -2.114 1.00 0.24 H new ATOM 0 HB VAL A 42 -11.147 -4.697 -2.855 1.00 0.29 H new ATOM 0 HG11 VAL A 42 -13.558 -5.029 -3.251 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.565 -5.854 -4.476 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -13.323 -6.791 -3.167 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -12.731 -4.754 -0.955 1.00 0.35 H new ATOM 0 HG22 VAL A 42 -12.452 -6.503 -0.786 1.00 0.35 H new ATOM 0 HG23 VAL A 42 -11.123 -5.358 -0.491 1.00 0.35 H new ATOM 628 N LEU A 43 -10.119 -6.422 -5.131 1.00 0.15 N ATOM 629 CA LEU A 43 -10.112 -6.785 -6.545 1.00 0.15 C ATOM 630 C LEU A 43 -9.340 -8.081 -6.783 1.00 0.12 C ATOM 631 O LEU A 43 -9.796 -8.946 -7.533 1.00 0.14 O ATOM 632 CB LEU A 43 -9.527 -5.660 -7.396 1.00 0.16 C ATOM 633 CG LEU A 43 -10.310 -4.353 -7.354 1.00 0.19 C ATOM 634 CD1 LEU A 43 -9.654 -3.393 -6.386 1.00 0.20 C ATOM 635 CD2 LEU A 43 -10.409 -3.739 -8.742 1.00 0.24 C ATOM 0 H LEU A 43 -9.710 -5.512 -4.920 1.00 0.15 H new ATOM 0 HA LEU A 43 -11.148 -6.945 -6.844 1.00 0.15 H new ATOM 0 HB2 LEU A 43 -8.507 -5.467 -7.065 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -9.468 -5.999 -8.430 1.00 0.16 H new ATOM 0 HG LEU A 43 -11.323 -4.560 -7.009 1.00 0.19 H new ATOM 0 HD11 LEU A 43 -10.218 -2.461 -6.360 1.00 0.20 H new ATOM 0 HD12 LEU A 43 -9.638 -3.835 -5.390 1.00 0.20 H new ATOM 0 HD13 LEU A 43 -8.633 -3.191 -6.710 1.00 0.20 H new ATOM 0 HD21 LEU A 43 -10.972 -2.807 -8.688 1.00 0.24 H new ATOM 0 HD22 LEU A 43 -9.408 -3.537 -9.123 1.00 0.24 H new ATOM 0 HD23 LEU A 43 -10.918 -4.432 -9.411 1.00 0.24 H new ATOM 647 N VAL A 44 -8.176 -8.226 -6.146 1.00 0.11 N ATOM 648 CA VAL A 44 -7.374 -9.435 -6.321 1.00 0.12 C ATOM 649 C VAL A 44 -8.087 -10.658 -5.750 1.00 0.15 C ATOM 650 O VAL A 44 -7.938 -11.768 -6.261 1.00 0.20 O ATOM 651 CB VAL A 44 -5.970 -9.325 -5.678 1.00 0.13 C ATOM 652 CG1 VAL A 44 -5.264 -8.055 -6.112 1.00 0.14 C ATOM 653 CG2 VAL A 44 -6.047 -9.397 -4.165 1.00 0.14 C ATOM 0 H VAL A 44 -7.774 -7.533 -5.515 1.00 0.11 H new ATOM 0 HA VAL A 44 -7.245 -9.550 -7.397 1.00 0.12 H new ATOM 0 HB VAL A 44 -5.387 -10.177 -6.029 1.00 0.13 H new ATOM 0 HG11 VAL A 44 -4.281 -8.007 -5.644 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -5.150 -8.054 -7.196 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -5.853 -7.189 -5.809 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -5.044 -9.317 -3.745 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -6.663 -8.578 -3.793 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -6.490 -10.348 -3.868 1.00 0.14 H new ATOM 663 N LYS A 45 -8.865 -10.452 -4.687 1.00 0.19 N ATOM 664 CA LYS A 45 -9.592 -11.547 -4.051 1.00 0.26 C ATOM 665 C LYS A 45 -10.996 -11.687 -4.637 1.00 0.27 C ATOM 666 O LYS A 45 -11.704 -12.651 -4.349 1.00 0.32 O ATOM 667 CB LYS A 45 -9.666 -11.333 -2.534 1.00 0.32 C ATOM 668 CG LYS A 45 -10.716 -10.322 -2.096 1.00 0.34 C ATOM 669 CD LYS A 45 -10.894 -10.323 -0.585 1.00 0.42 C ATOM 670 CE LYS A 45 -9.678 -9.750 0.127 1.00 0.46 C ATOM 671 NZ LYS A 45 -9.643 -8.263 0.062 1.00 0.75 N ATOM 0 H LYS A 45 -9.007 -9.541 -4.251 1.00 0.19 H new ATOM 0 HA LYS A 45 -9.048 -12.471 -4.248 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -9.876 -12.289 -2.054 1.00 0.32 H new ATOM 0 HB3 LYS A 45 -8.690 -11.004 -2.177 1.00 0.32 H new ATOM 0 HG2 LYS A 45 -10.424 -9.326 -2.429 1.00 0.34 H new ATOM 0 HG3 LYS A 45 -11.667 -10.553 -2.576 1.00 0.34 H new ATOM 0 HD2 LYS A 45 -11.777 -9.740 -0.323 1.00 0.42 H new ATOM 0 HD3 LYS A 45 -11.070 -11.342 -0.240 1.00 0.42 H new ATOM 0 HE2 LYS A 45 -9.686 -10.067 1.170 1.00 0.46 H new ATOM 0 HE3 LYS A 45 -8.771 -10.154 -0.322 1.00 0.46 H new ATOM 0 HZ1 LYS A 45 -9.182 -7.889 0.916 1.00 0.75 H new ATOM 0 HZ2 LYS A 45 -9.109 -7.965 -0.779 1.00 0.75 H new ATOM 0 HZ3 LYS A 45 -10.614 -7.895 0.004 1.00 0.75 H new ATOM 685 N GLN A 46 -11.391 -10.717 -5.459 1.00 0.26 N ATOM 686 CA GLN A 46 -12.709 -10.733 -6.087 1.00 0.31 C ATOM 687 C GLN A 46 -12.588 -10.857 -7.604 1.00 0.34 C ATOM 688 O GLN A 46 -11.503 -11.096 -8.133 1.00 0.38 O ATOM 689 CB GLN A 46 -13.486 -9.461 -5.734 1.00 0.30 C ATOM 690 CG GLN A 46 -13.783 -9.319 -4.252 1.00 0.30 C ATOM 691 CD GLN A 46 -14.620 -10.462 -3.704 1.00 0.37 C ATOM 692 OE1 GLN A 46 -14.499 -10.828 -2.535 1.00 1.06 O ATOM 693 NE2 GLN A 46 -15.475 -11.031 -4.547 1.00 1.27 N ATOM 0 H GLN A 46 -10.817 -9.911 -5.705 1.00 0.26 H new ATOM 0 HA GLN A 46 -13.250 -11.600 -5.707 1.00 0.31 H new ATOM 0 HB2 GLN A 46 -12.916 -8.594 -6.066 1.00 0.30 H new ATOM 0 HB3 GLN A 46 -14.426 -9.455 -6.286 1.00 0.30 H new ATOM 0 HG2 GLN A 46 -12.843 -9.267 -3.702 1.00 0.30 H new ATOM 0 HG3 GLN A 46 -14.305 -8.378 -4.080 1.00 0.30 H new ATOM 0 HE21 GLN A 46 -15.543 -10.696 -5.508 1.00 1.27 H new ATOM 0 HE22 GLN A 46 -16.063 -11.803 -4.233 1.00 1.27 H new ATOM 702 N LYS A 47 -13.713 -10.699 -8.296 1.00 0.40 N ATOM 703 CA LYS A 47 -13.742 -10.783 -9.753 1.00 0.46 C ATOM 704 C LYS A 47 -13.472 -9.414 -10.368 1.00 0.42 C ATOM 705 O LYS A 47 -13.339 -9.282 -11.585 1.00 0.47 O ATOM 706 CB LYS A 47 -15.103 -11.290 -10.224 1.00 0.52 C ATOM 707 CG LYS A 47 -16.230 -10.301 -9.968 1.00 0.53 C ATOM 708 CD LYS A 47 -17.551 -10.802 -10.530 1.00 0.85 C ATOM 709 CE LYS A 47 -18.677 -9.811 -10.275 1.00 1.64 C ATOM 710 NZ LYS A 47 -18.400 -8.484 -10.894 1.00 2.55 N ATOM 0 H LYS A 47 -14.620 -10.511 -7.869 1.00 0.40 H new ATOM 0 HA LYS A 47 -12.966 -11.479 -10.073 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -15.054 -11.507 -11.291 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -15.329 -12.228 -9.718 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -16.330 -10.132 -8.896 1.00 0.53 H new ATOM 0 HG3 LYS A 47 -15.982 -9.341 -10.420 1.00 0.53 H new ATOM 0 HD2 LYS A 47 -17.450 -10.972 -11.602 1.00 0.85 H new ATOM 0 HD3 LYS A 47 -17.800 -11.762 -10.077 1.00 0.85 H new ATOM 0 HE2 LYS A 47 -19.609 -10.210 -10.674 1.00 1.64 H new ATOM 0 HE3 LYS A 47 -18.817 -9.689 -9.201 1.00 1.64 H new ATOM 0 HZ1 LYS A 47 -19.272 -7.918 -10.907 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -17.673 -7.987 -10.340 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -18.061 -8.619 -11.868 1.00 2.55 H new ATOM 724 N LYS A 48 -13.406 -8.404 -9.510 1.00 0.36 N ATOM 725 CA LYS A 48 -13.170 -7.031 -9.936 1.00 0.40 C ATOM 726 C LYS A 48 -12.013 -6.928 -10.929 1.00 0.53 C ATOM 727 O LYS A 48 -12.227 -6.846 -12.139 1.00 1.19 O ATOM 728 CB LYS A 48 -12.886 -6.152 -8.719 1.00 0.32 C ATOM 729 CG LYS A 48 -13.973 -5.131 -8.428 1.00 0.73 C ATOM 730 CD LYS A 48 -15.190 -5.773 -7.783 1.00 0.46 C ATOM 731 CE LYS A 48 -14.912 -6.162 -6.339 1.00 0.89 C ATOM 732 NZ LYS A 48 -16.144 -6.628 -5.642 1.00 1.46 N ATOM 0 H LYS A 48 -13.514 -8.513 -8.502 1.00 0.36 H new ATOM 0 HA LYS A 48 -14.071 -6.685 -10.443 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -12.757 -6.790 -7.845 1.00 0.32 H new ATOM 0 HB3 LYS A 48 -11.942 -5.629 -8.873 1.00 0.32 H new ATOM 0 HG2 LYS A 48 -13.578 -4.357 -7.770 1.00 0.73 H new ATOM 0 HG3 LYS A 48 -14.269 -4.640 -9.355 1.00 0.73 H new ATOM 0 HD2 LYS A 48 -16.031 -5.080 -7.819 1.00 0.46 H new ATOM 0 HD3 LYS A 48 -15.480 -6.657 -8.350 1.00 0.46 H new ATOM 0 HE2 LYS A 48 -14.160 -6.951 -6.314 1.00 0.89 H new ATOM 0 HE3 LYS A 48 -14.495 -5.307 -5.807 1.00 0.89 H new ATOM 0 HZ1 LYS A 48 -15.912 -6.884 -4.661 1.00 1.46 H new ATOM 0 HZ2 LYS A 48 -16.853 -5.867 -5.643 1.00 1.46 H new ATOM 0 HZ3 LYS A 48 -16.528 -7.459 -6.135 1.00 1.46 H new ATOM 746 N ALA A 49 -10.788 -6.931 -10.409 1.00 0.26 N ATOM 747 CA ALA A 49 -9.599 -6.822 -11.248 1.00 0.22 C ATOM 748 C ALA A 49 -8.556 -7.869 -10.885 1.00 0.20 C ATOM 749 O ALA A 49 -8.667 -8.545 -9.862 1.00 0.24 O ATOM 750 CB ALA A 49 -8.995 -5.437 -11.112 1.00 0.21 C ATOM 0 H ALA A 49 -10.593 -7.008 -9.411 1.00 0.26 H new ATOM 0 HA ALA A 49 -9.906 -6.994 -12.280 1.00 0.22 H new ATOM 0 HB1 ALA A 49 -8.108 -5.364 -11.741 1.00 0.21 H new ATOM 0 HB2 ALA A 49 -9.724 -4.690 -11.424 1.00 0.21 H new ATOM 0 HB3 ALA A 49 -8.718 -5.261 -10.073 1.00 0.21 H new ATOM 756 N SER A 50 -7.543 -7.995 -11.733 1.00 0.21 N ATOM 757 CA SER A 50 -6.460 -8.936 -11.492 1.00 0.21 C ATOM 758 C SER A 50 -5.443 -8.308 -10.550 1.00 0.18 C ATOM 759 O SER A 50 -5.506 -7.112 -10.278 1.00 0.19 O ATOM 760 CB SER A 50 -5.790 -9.328 -12.811 1.00 0.25 C ATOM 761 OG SER A 50 -5.495 -8.185 -13.593 1.00 0.27 O ATOM 0 H SER A 50 -7.450 -7.456 -12.594 1.00 0.21 H new ATOM 0 HA SER A 50 -6.866 -9.838 -11.033 1.00 0.21 H new ATOM 0 HB2 SER A 50 -4.872 -9.879 -12.606 1.00 0.25 H new ATOM 0 HB3 SER A 50 -6.445 -9.996 -13.371 1.00 0.25 H new ATOM 0 HG SER A 50 -5.215 -8.465 -14.489 1.00 0.27 H new ATOM 767 N PHE A 51 -4.509 -9.106 -10.053 1.00 0.19 N ATOM 768 CA PHE A 51 -3.494 -8.598 -9.139 1.00 0.20 C ATOM 769 C PHE A 51 -2.679 -7.489 -9.799 1.00 0.23 C ATOM 770 O PHE A 51 -1.954 -6.760 -9.127 1.00 0.26 O ATOM 771 CB PHE A 51 -2.576 -9.730 -8.674 1.00 0.23 C ATOM 772 CG PHE A 51 -1.945 -9.477 -7.334 1.00 0.23 C ATOM 773 CD1 PHE A 51 -0.789 -8.723 -7.234 1.00 0.98 C ATOM 774 CD2 PHE A 51 -2.500 -9.998 -6.176 1.00 0.98 C ATOM 775 CE1 PHE A 51 -0.198 -8.492 -6.009 1.00 1.05 C ATOM 776 CE2 PHE A 51 -1.912 -9.769 -4.947 1.00 0.97 C ATOM 777 CZ PHE A 51 -0.798 -9.007 -4.847 1.00 0.43 C ATOM 0 H PHE A 51 -4.432 -10.101 -10.265 1.00 0.19 H new ATOM 0 HA PHE A 51 -3.999 -8.181 -8.268 1.00 0.20 H new ATOM 0 HB2 PHE A 51 -3.149 -10.656 -8.628 1.00 0.23 H new ATOM 0 HB3 PHE A 51 -1.790 -9.878 -9.415 1.00 0.23 H new ATOM 0 HD1 PHE A 51 -0.343 -8.310 -8.127 1.00 0.98 H new ATOM 0 HD2 PHE A 51 -3.402 -10.589 -6.235 1.00 0.98 H new ATOM 0 HE1 PHE A 51 0.716 -7.921 -5.944 1.00 1.05 H new ATOM 0 HE2 PHE A 51 -2.345 -10.202 -4.058 1.00 0.97 H new ATOM 0 HZ PHE A 51 -0.372 -8.795 -3.878 1.00 0.43 H new ATOM 787 N GLU A 52 -2.796 -7.368 -11.119 1.00 0.25 N ATOM 788 CA GLU A 52 -2.064 -6.344 -11.859 1.00 0.28 C ATOM 789 C GLU A 52 -2.824 -5.013 -11.897 1.00 0.25 C ATOM 790 O GLU A 52 -2.259 -3.964 -11.592 1.00 0.28 O ATOM 791 CB GLU A 52 -1.744 -6.849 -13.270 1.00 0.33 C ATOM 792 CG GLU A 52 -2.833 -6.591 -14.301 1.00 0.35 C ATOM 793 CD GLU A 52 -2.535 -7.241 -15.638 1.00 0.43 C ATOM 794 OE1 GLU A 52 -1.723 -6.679 -16.403 1.00 0.83 O ATOM 795 OE2 GLU A 52 -3.112 -8.311 -15.919 1.00 0.80 O ATOM 0 H GLU A 52 -3.389 -7.964 -11.696 1.00 0.25 H new ATOM 0 HA GLU A 52 -1.127 -6.151 -11.337 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -0.822 -6.377 -13.610 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -1.554 -7.921 -13.223 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -3.783 -6.967 -13.922 1.00 0.35 H new ATOM 0 HG3 GLU A 52 -2.948 -5.516 -14.441 1.00 0.35 H new ATOM 802 N GLU A 53 -4.093 -5.050 -12.293 1.00 0.24 N ATOM 803 CA GLU A 53 -4.911 -3.839 -12.341 1.00 0.23 C ATOM 804 C GLU A 53 -5.192 -3.372 -10.926 1.00 0.19 C ATOM 805 O GLU A 53 -5.084 -2.187 -10.608 1.00 0.21 O ATOM 806 CB GLU A 53 -6.224 -4.108 -13.078 1.00 0.27 C ATOM 807 CG GLU A 53 -7.234 -2.979 -12.949 1.00 1.06 C ATOM 808 CD GLU A 53 -8.364 -3.088 -13.955 1.00 1.05 C ATOM 809 OE1 GLU A 53 -9.353 -3.791 -13.663 1.00 1.23 O ATOM 810 OE2 GLU A 53 -8.260 -2.466 -15.034 1.00 1.26 O ATOM 0 H GLU A 53 -4.576 -5.900 -12.584 1.00 0.24 H new ATOM 0 HA GLU A 53 -4.370 -3.062 -12.881 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -6.011 -4.276 -14.134 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -6.666 -5.027 -12.692 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.649 -2.981 -11.941 1.00 1.06 H new ATOM 0 HG3 GLU A 53 -6.725 -2.024 -13.082 1.00 1.06 H new ATOM 817 N ALA A 54 -5.567 -4.321 -10.081 1.00 0.19 N ATOM 818 CA ALA A 54 -5.832 -4.032 -8.688 1.00 0.16 C ATOM 819 C ALA A 54 -4.623 -3.346 -8.082 1.00 0.18 C ATOM 820 O ALA A 54 -4.743 -2.341 -7.376 1.00 0.17 O ATOM 821 CB ALA A 54 -6.154 -5.314 -7.945 1.00 0.16 C ATOM 0 H ALA A 54 -5.694 -5.299 -10.341 1.00 0.19 H new ATOM 0 HA ALA A 54 -6.692 -3.368 -8.606 1.00 0.16 H new ATOM 0 HB1 ALA A 54 -6.352 -5.087 -6.897 1.00 0.16 H new ATOM 0 HB2 ALA A 54 -7.034 -5.780 -8.388 1.00 0.16 H new ATOM 0 HB3 ALA A 54 -5.308 -5.997 -8.015 1.00 0.16 H new ATOM 827 N SER A 55 -3.443 -3.890 -8.379 1.00 0.26 N ATOM 828 CA SER A 55 -2.213 -3.311 -7.880 1.00 0.31 C ATOM 829 C SER A 55 -2.041 -1.935 -8.470 1.00 0.33 C ATOM 830 O SER A 55 -1.638 -0.994 -7.792 1.00 0.39 O ATOM 831 CB SER A 55 -1.009 -4.171 -8.243 1.00 0.43 C ATOM 832 OG SER A 55 -0.768 -4.165 -9.636 1.00 1.20 O ATOM 0 H SER A 55 -3.321 -4.722 -8.957 1.00 0.26 H new ATOM 0 HA SER A 55 -2.274 -3.254 -6.793 1.00 0.31 H new ATOM 0 HB2 SER A 55 -0.127 -3.803 -7.719 1.00 0.43 H new ATOM 0 HB3 SER A 55 -1.177 -5.194 -7.906 1.00 0.43 H new ATOM 0 HG SER A 55 -1.620 -4.098 -10.115 1.00 1.20 H new ATOM 838 N ASN A 56 -2.352 -1.836 -9.748 1.00 0.32 N ATOM 839 CA ASN A 56 -2.254 -0.581 -10.454 1.00 0.35 C ATOM 840 C ASN A 56 -3.053 0.484 -9.727 1.00 0.30 C ATOM 841 O ASN A 56 -2.655 1.642 -9.687 1.00 0.34 O ATOM 842 CB ASN A 56 -2.737 -0.763 -11.900 1.00 0.40 C ATOM 843 CG ASN A 56 -1.614 -1.138 -12.846 1.00 0.49 C ATOM 844 OD1 ASN A 56 -1.637 -0.784 -14.024 1.00 1.19 O ATOM 845 ND2 ASN A 56 -0.622 -1.859 -12.336 1.00 1.19 N ATOM 0 H ASN A 56 -2.676 -2.617 -10.318 1.00 0.32 H new ATOM 0 HA ASN A 56 -1.215 -0.254 -10.484 1.00 0.35 H new ATOM 0 HB2 ASN A 56 -3.505 -1.536 -11.928 1.00 0.40 H new ATOM 0 HB3 ASN A 56 -3.203 0.161 -12.243 1.00 0.40 H new ATOM 0 HD21 ASN A 56 0.160 -2.140 -12.927 1.00 1.19 H new ATOM 0 HD22 ASN A 56 -0.642 -2.131 -11.353 1.00 1.19 H new ATOM 852 N GLN A 57 -4.170 0.078 -9.128 1.00 0.25 N ATOM 853 CA GLN A 57 -5.007 1.004 -8.375 1.00 0.24 C ATOM 854 C GLN A 57 -4.373 1.314 -7.021 1.00 0.20 C ATOM 855 O GLN A 57 -4.463 2.439 -6.533 1.00 0.19 O ATOM 856 CB GLN A 57 -6.410 0.422 -8.180 1.00 0.27 C ATOM 857 CG GLN A 57 -7.319 1.298 -7.332 1.00 0.85 C ATOM 858 CD GLN A 57 -8.756 0.816 -7.323 1.00 1.10 C ATOM 859 OE1 GLN A 57 -9.144 -0.002 -6.488 1.00 1.66 O ATOM 860 NE2 GLN A 57 -9.557 1.325 -8.253 1.00 1.57 N ATOM 0 H GLN A 57 -4.514 -0.882 -9.150 1.00 0.25 H new ATOM 0 HA GLN A 57 -5.091 1.931 -8.943 1.00 0.24 H new ATOM 0 HB2 GLN A 57 -6.871 0.272 -9.156 1.00 0.27 H new ATOM 0 HB3 GLN A 57 -6.326 -0.559 -7.713 1.00 0.27 H new ATOM 0 HG2 GLN A 57 -6.942 1.322 -6.310 1.00 0.85 H new ATOM 0 HG3 GLN A 57 -7.286 2.320 -7.709 1.00 0.85 H new ATOM 0 HE21 GLN A 57 -9.193 2.000 -8.925 1.00 1.57 H new ATOM 0 HE22 GLN A 57 -10.536 1.040 -8.295 1.00 1.57 H new ATOM 869 N LEU A 58 -3.743 0.309 -6.411 1.00 0.19 N ATOM 870 CA LEU A 58 -3.081 0.502 -5.119 1.00 0.17 C ATOM 871 C LEU A 58 -1.942 1.510 -5.263 1.00 0.17 C ATOM 872 O LEU A 58 -1.871 2.485 -4.510 1.00 0.18 O ATOM 873 CB LEU A 58 -2.524 -0.836 -4.583 1.00 0.19 C ATOM 874 CG LEU A 58 -2.572 -1.065 -3.053 1.00 0.20 C ATOM 875 CD1 LEU A 58 -1.395 -1.925 -2.575 1.00 0.24 C ATOM 876 CD2 LEU A 58 -2.559 0.248 -2.307 1.00 0.20 C ATOM 0 H LEU A 58 -3.677 -0.638 -6.785 1.00 0.19 H new ATOM 0 HA LEU A 58 -3.817 0.882 -4.411 1.00 0.17 H new ATOM 0 HB2 LEU A 58 -3.074 -1.646 -5.062 1.00 0.19 H new ATOM 0 HB3 LEU A 58 -1.486 -0.922 -4.904 1.00 0.19 H new ATOM 0 HG LEU A 58 -3.503 -1.592 -2.842 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -1.461 -2.065 -1.496 1.00 0.24 H new ATOM 0 HD12 LEU A 58 -1.429 -2.896 -3.070 1.00 0.24 H new ATOM 0 HD13 LEU A 58 -0.457 -1.426 -2.819 1.00 0.24 H new ATOM 0 HD21 LEU A 58 -2.593 0.057 -1.234 1.00 0.20 H new ATOM 0 HD22 LEU A 58 -1.648 0.795 -2.549 1.00 0.20 H new ATOM 0 HD23 LEU A 58 -3.426 0.841 -2.598 1.00 0.20 H new ATOM 888 N ILE A 59 -1.055 1.289 -6.241 1.00 0.19 N ATOM 889 CA ILE A 59 0.061 2.204 -6.441 1.00 0.20 C ATOM 890 C ILE A 59 -0.476 3.547 -6.933 1.00 0.18 C ATOM 891 O ILE A 59 -0.003 4.605 -6.521 1.00 0.16 O ATOM 892 CB ILE A 59 1.090 1.667 -7.461 1.00 0.25 C ATOM 893 CG1 ILE A 59 1.433 0.217 -7.138 1.00 0.27 C ATOM 894 CG2 ILE A 59 2.347 2.524 -7.440 1.00 0.32 C ATOM 895 CD1 ILE A 59 1.649 -0.657 -8.345 1.00 0.38 C ATOM 0 H ILE A 59 -1.090 0.502 -6.889 1.00 0.19 H new ATOM 0 HA ILE A 59 0.572 2.313 -5.485 1.00 0.20 H new ATOM 0 HB ILE A 59 0.656 1.712 -8.460 1.00 0.25 H new ATOM 0 HG12 ILE A 59 2.334 0.198 -6.525 1.00 0.27 H new ATOM 0 HG13 ILE A 59 0.629 -0.208 -6.536 1.00 0.27 H new ATOM 0 HG21 ILE A 59 3.064 2.135 -8.163 1.00 0.32 H new ATOM 0 HG22 ILE A 59 2.091 3.551 -7.699 1.00 0.32 H new ATOM 0 HG23 ILE A 59 2.787 2.500 -6.443 1.00 0.32 H new ATOM 0 HD11 ILE A 59 1.888 -1.670 -8.022 1.00 0.38 H new ATOM 0 HD12 ILE A 59 0.742 -0.673 -8.950 1.00 0.38 H new ATOM 0 HD13 ILE A 59 2.473 -0.261 -8.938 1.00 0.38 H new ATOM 907 N ASN A 60 -1.477 3.487 -7.824 1.00 0.20 N ATOM 908 CA ASN A 60 -2.107 4.693 -8.363 1.00 0.20 C ATOM 909 C ASN A 60 -2.625 5.559 -7.230 1.00 0.17 C ATOM 910 O ASN A 60 -2.442 6.777 -7.228 1.00 0.18 O ATOM 911 CB ASN A 60 -3.253 4.338 -9.308 1.00 0.22 C ATOM 912 CG ASN A 60 -2.800 4.202 -10.749 1.00 0.27 C ATOM 913 OD1 ASN A 60 -1.663 3.815 -11.020 1.00 0.81 O ATOM 914 ND2 ASN A 60 -3.688 4.524 -11.680 1.00 1.05 N ATOM 0 H ASN A 60 -1.865 2.615 -8.184 1.00 0.20 H new ATOM 0 HA ASN A 60 -1.355 5.245 -8.927 1.00 0.20 H new ATOM 0 HB2 ASN A 60 -3.709 3.402 -8.985 1.00 0.22 H new ATOM 0 HB3 ASN A 60 -4.023 5.107 -9.244 1.00 0.22 H new ATOM 0 HD21 ASN A 60 -3.440 4.456 -12.667 1.00 1.05 H new ATOM 0 HD22 ASN A 60 -4.619 4.840 -11.409 1.00 1.05 H new ATOM 921 N HIS A 61 -3.287 4.927 -6.271 1.00 0.16 N ATOM 922 CA HIS A 61 -3.793 5.649 -5.123 1.00 0.16 C ATOM 923 C HIS A 61 -2.607 6.273 -4.408 1.00 0.13 C ATOM 924 O HIS A 61 -2.629 7.445 -4.014 1.00 0.12 O ATOM 925 CB HIS A 61 -4.556 4.706 -4.194 1.00 0.20 C ATOM 926 CG HIS A 61 -4.128 4.824 -2.772 1.00 0.22 C ATOM 927 ND1 HIS A 61 -2.988 4.231 -2.289 1.00 0.23 N ATOM 928 CD2 HIS A 61 -4.661 5.514 -1.749 1.00 0.26 C ATOM 929 CE1 HIS A 61 -2.832 4.554 -1.023 1.00 0.28 C ATOM 930 NE2 HIS A 61 -3.835 5.338 -0.668 1.00 0.30 N ATOM 0 H HIS A 61 -3.482 3.926 -6.268 1.00 0.16 H new ATOM 0 HA HIS A 61 -4.489 6.427 -5.438 1.00 0.16 H new ATOM 0 HB2 HIS A 61 -5.623 4.917 -4.266 1.00 0.20 H new ATOM 0 HB3 HIS A 61 -4.411 3.679 -4.528 1.00 0.20 H new ATOM 0 HD2 HIS A 61 -5.569 6.098 -1.774 1.00 0.26 H new ATOM 0 HE1 HIS A 61 -2.023 4.233 -0.384 1.00 0.28 H new ATOM 0 HE2 HIS A 61 -3.972 5.745 0.257 1.00 0.30 H new ATOM 939 N ILE A 62 -1.562 5.465 -4.258 1.00 0.14 N ATOM 940 CA ILE A 62 -0.342 5.912 -3.623 1.00 0.13 C ATOM 941 C ILE A 62 0.278 7.039 -4.432 1.00 0.11 C ATOM 942 O ILE A 62 1.072 7.815 -3.916 1.00 0.12 O ATOM 943 CB ILE A 62 0.659 4.758 -3.472 1.00 0.14 C ATOM 944 CG1 ILE A 62 0.110 3.741 -2.479 1.00 0.18 C ATOM 945 CG2 ILE A 62 2.013 5.280 -3.018 1.00 0.14 C ATOM 946 CD1 ILE A 62 0.759 2.390 -2.579 1.00 0.75 C ATOM 0 H ILE A 62 -1.543 4.495 -4.571 1.00 0.14 H new ATOM 0 HA ILE A 62 -0.589 6.276 -2.626 1.00 0.13 H new ATOM 0 HB ILE A 62 0.797 4.273 -4.438 1.00 0.14 H new ATOM 0 HG12 ILE A 62 0.244 4.125 -1.468 1.00 0.18 H new ATOM 0 HG13 ILE A 62 -0.963 3.632 -2.639 1.00 0.18 H new ATOM 0 HG21 ILE A 62 2.709 4.447 -2.917 1.00 0.14 H new ATOM 0 HG22 ILE A 62 2.397 5.986 -3.755 1.00 0.14 H new ATOM 0 HG23 ILE A 62 1.906 5.782 -2.056 1.00 0.14 H new ATOM 0 HD11 ILE A 62 0.318 1.719 -1.842 1.00 0.75 H new ATOM 0 HD12 ILE A 62 0.603 1.985 -3.579 1.00 0.75 H new ATOM 0 HD13 ILE A 62 1.828 2.485 -2.389 1.00 0.75 H new ATOM 958 N GLU A 63 -0.084 7.115 -5.709 1.00 0.12 N ATOM 959 CA GLU A 63 0.417 8.169 -6.575 1.00 0.13 C ATOM 960 C GLU A 63 -0.325 9.459 -6.276 1.00 0.12 C ATOM 961 O GLU A 63 0.270 10.535 -6.250 1.00 0.11 O ATOM 962 CB GLU A 63 0.273 7.791 -8.048 1.00 0.17 C ATOM 963 CG GLU A 63 1.278 6.746 -8.489 1.00 0.17 C ATOM 964 CD GLU A 63 1.145 6.383 -9.956 1.00 0.21 C ATOM 965 OE1 GLU A 63 1.748 7.081 -10.797 1.00 0.80 O ATOM 966 OE2 GLU A 63 0.435 5.402 -10.263 1.00 0.70 O ATOM 0 H GLU A 63 -0.721 6.460 -6.163 1.00 0.12 H new ATOM 0 HA GLU A 63 1.480 8.310 -6.379 1.00 0.13 H new ATOM 0 HB2 GLU A 63 -0.735 7.416 -8.225 1.00 0.17 H new ATOM 0 HB3 GLU A 63 0.393 8.685 -8.661 1.00 0.17 H new ATOM 0 HG2 GLU A 63 2.286 7.116 -8.301 1.00 0.17 H new ATOM 0 HG3 GLU A 63 1.150 5.848 -7.884 1.00 0.17 H new ATOM 973 N GLN A 64 -1.636 9.347 -6.061 1.00 0.14 N ATOM 974 CA GLN A 64 -2.440 10.510 -5.710 1.00 0.14 C ATOM 975 C GLN A 64 -1.856 11.117 -4.444 1.00 0.11 C ATOM 976 O GLN A 64 -1.620 12.327 -4.355 1.00 0.10 O ATOM 977 CB GLN A 64 -3.902 10.116 -5.494 1.00 0.18 C ATOM 978 CG GLN A 64 -4.790 11.273 -5.065 1.00 0.91 C ATOM 979 CD GLN A 64 -6.235 10.860 -4.855 1.00 1.57 C ATOM 980 OE1 GLN A 64 -7.155 11.649 -5.066 1.00 2.40 O ATOM 981 NE2 GLN A 64 -6.441 9.617 -4.433 1.00 2.11 N ATOM 0 H GLN A 64 -2.156 8.472 -6.124 1.00 0.14 H new ATOM 0 HA GLN A 64 -2.418 11.237 -6.522 1.00 0.14 H new ATOM 0 HB2 GLN A 64 -4.295 9.691 -6.418 1.00 0.18 H new ATOM 0 HB3 GLN A 64 -3.950 9.333 -4.737 1.00 0.18 H new ATOM 0 HG2 GLN A 64 -4.401 11.700 -4.141 1.00 0.91 H new ATOM 0 HG3 GLN A 64 -4.747 12.057 -5.821 1.00 0.91 H new ATOM 0 HE21 GLN A 64 -5.649 8.996 -4.271 1.00 2.11 H new ATOM 0 HE22 GLN A 64 -7.392 9.284 -4.272 1.00 2.11 H new ATOM 990 N PHE A 65 -1.615 10.258 -3.461 1.00 0.11 N ATOM 991 CA PHE A 65 -1.008 10.703 -2.223 1.00 0.11 C ATOM 992 C PHE A 65 0.392 11.231 -2.532 1.00 0.10 C ATOM 993 O PHE A 65 0.727 12.366 -2.208 1.00 0.12 O ATOM 994 CB PHE A 65 -0.915 9.556 -1.204 1.00 0.14 C ATOM 995 CG PHE A 65 0.444 9.452 -0.583 1.00 0.14 C ATOM 996 CD1 PHE A 65 0.957 10.494 0.178 1.00 0.16 C ATOM 997 CD2 PHE A 65 1.227 8.339 -0.806 1.00 0.14 C ATOM 998 CE1 PHE A 65 2.223 10.417 0.709 1.00 0.18 C ATOM 999 CE2 PHE A 65 2.495 8.262 -0.285 1.00 0.16 C ATOM 1000 CZ PHE A 65 2.995 9.301 0.472 1.00 0.16 C ATOM 0 H PHE A 65 -1.829 9.262 -3.500 1.00 0.11 H new ATOM 0 HA PHE A 65 -1.626 11.487 -1.787 1.00 0.11 H new ATOM 0 HB2 PHE A 65 -1.658 9.708 -0.421 1.00 0.14 H new ATOM 0 HB3 PHE A 65 -1.159 8.615 -1.697 1.00 0.14 H new ATOM 0 HD1 PHE A 65 0.356 11.374 0.355 1.00 0.16 H new ATOM 0 HD2 PHE A 65 0.840 7.521 -1.395 1.00 0.14 H new ATOM 0 HE1 PHE A 65 2.610 11.227 1.309 1.00 0.18 H new ATOM 0 HE2 PHE A 65 3.101 7.387 -0.468 1.00 0.16 H new ATOM 0 HZ PHE A 65 3.993 9.239 0.880 1.00 0.16 H new ATOM 1010 N LEU A 66 1.212 10.385 -3.151 1.00 0.09 N ATOM 1011 CA LEU A 66 2.571 10.767 -3.493 1.00 0.10 C ATOM 1012 C LEU A 66 2.556 12.057 -4.302 1.00 0.11 C ATOM 1013 O LEU A 66 3.579 12.718 -4.463 1.00 0.17 O ATOM 1014 CB LEU A 66 3.305 9.629 -4.224 1.00 0.11 C ATOM 1015 CG LEU A 66 3.962 8.585 -3.307 1.00 0.10 C ATOM 1016 CD1 LEU A 66 4.717 7.556 -4.132 1.00 0.12 C ATOM 1017 CD2 LEU A 66 4.898 9.238 -2.292 1.00 0.08 C ATOM 0 H LEU A 66 0.957 9.436 -3.423 1.00 0.09 H new ATOM 0 HA LEU A 66 3.129 10.952 -2.575 1.00 0.10 H new ATOM 0 HB2 LEU A 66 2.596 9.121 -4.878 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.073 10.064 -4.863 1.00 0.11 H new ATOM 0 HG LEU A 66 3.167 8.084 -2.754 1.00 0.10 H new ATOM 0 HD11 LEU A 66 5.177 6.824 -3.468 1.00 0.12 H new ATOM 0 HD12 LEU A 66 4.025 7.051 -4.806 1.00 0.12 H new ATOM 0 HD13 LEU A 66 5.492 8.054 -4.715 1.00 0.12 H new ATOM 0 HD21 LEU A 66 5.344 8.469 -1.661 1.00 0.08 H new ATOM 0 HD22 LEU A 66 5.685 9.778 -2.818 1.00 0.08 H new ATOM 0 HD23 LEU A 66 4.333 9.934 -1.671 1.00 0.08 H new ATOM 1029 N ASP A 67 1.382 12.403 -4.826 1.00 0.09 N ATOM 1030 CA ASP A 67 1.224 13.648 -5.553 1.00 0.10 C ATOM 1031 C ASP A 67 1.063 14.773 -4.536 1.00 0.11 C ATOM 1032 O ASP A 67 1.618 15.859 -4.700 1.00 0.13 O ATOM 1033 CB ASP A 67 0.017 13.596 -6.493 1.00 0.11 C ATOM 1034 CG ASP A 67 -0.103 14.844 -7.348 1.00 0.12 C ATOM 1035 OD1 ASP A 67 -0.747 15.813 -6.895 1.00 0.17 O ATOM 1036 OD2 ASP A 67 0.448 14.849 -8.468 1.00 0.18 O ATOM 0 H ASP A 67 0.535 11.839 -4.758 1.00 0.09 H new ATOM 0 HA ASP A 67 2.103 13.821 -6.173 1.00 0.10 H new ATOM 0 HB2 ASP A 67 0.100 12.722 -7.139 1.00 0.11 H new ATOM 0 HB3 ASP A 67 -0.893 13.472 -5.906 1.00 0.11 H new ATOM 1041 N THR A 68 0.289 14.496 -3.477 1.00 0.10 N ATOM 1042 CA THR A 68 0.086 15.472 -2.405 1.00 0.12 C ATOM 1043 C THR A 68 1.398 15.730 -1.667 1.00 0.13 C ATOM 1044 O THR A 68 2.445 15.193 -2.035 1.00 0.13 O ATOM 1045 CB THR A 68 -0.994 15.024 -1.381 1.00 0.12 C ATOM 1046 OG1 THR A 68 -1.562 16.174 -0.744 1.00 0.14 O ATOM 1047 CG2 THR A 68 -0.435 14.091 -0.309 1.00 0.13 C ATOM 0 H THR A 68 -0.201 13.612 -3.343 1.00 0.10 H new ATOM 0 HA THR A 68 -0.266 16.387 -2.882 1.00 0.12 H new ATOM 0 HB THR A 68 -1.753 14.475 -1.939 1.00 0.12 H new ATOM 0 HG1 THR A 68 -2.244 15.888 -0.100 1.00 0.14 H new ATOM 0 HG21 THR A 68 -1.232 13.809 0.379 1.00 0.13 H new ATOM 0 HG22 THR A 68 -0.030 13.196 -0.781 1.00 0.13 H new ATOM 0 HG23 THR A 68 0.356 14.601 0.241 1.00 0.13 H new ATOM 1055 N ASN A 69 1.336 16.549 -0.626 1.00 0.15 N ATOM 1056 CA ASN A 69 2.516 16.879 0.164 1.00 0.17 C ATOM 1057 C ASN A 69 2.404 16.327 1.586 1.00 0.18 C ATOM 1058 O ASN A 69 3.292 16.531 2.412 1.00 0.20 O ATOM 1059 CB ASN A 69 2.698 18.392 0.205 1.00 0.19 C ATOM 1060 CG ASN A 69 3.102 18.967 -1.140 1.00 0.21 C ATOM 1061 OD1 ASN A 69 2.746 20.096 -1.477 1.00 0.91 O ATOM 1062 ND2 ASN A 69 3.855 18.194 -1.917 1.00 1.16 N ATOM 0 H ASN A 69 0.478 16.999 -0.307 1.00 0.15 H new ATOM 0 HA ASN A 69 3.384 16.418 -0.308 1.00 0.17 H new ATOM 0 HB2 ASN A 69 1.768 18.858 0.531 1.00 0.19 H new ATOM 0 HB3 ASN A 69 3.457 18.643 0.946 1.00 0.19 H new ATOM 0 HD21 ASN A 69 4.159 18.531 -2.830 1.00 1.16 H new ATOM 0 HD22 ASN A 69 4.128 17.264 -1.600 1.00 1.16 H new ATOM 1069 N GLU A 70 1.307 15.631 1.856 1.00 0.17 N ATOM 1070 CA GLU A 70 1.062 15.052 3.176 1.00 0.19 C ATOM 1071 C GLU A 70 1.836 13.748 3.350 1.00 0.17 C ATOM 1072 O GLU A 70 1.974 12.974 2.403 1.00 0.22 O ATOM 1073 CB GLU A 70 -0.434 14.785 3.352 1.00 0.21 C ATOM 1074 CG GLU A 70 -1.325 15.852 2.732 1.00 0.22 C ATOM 1075 CD GLU A 70 -1.523 17.050 3.640 1.00 0.30 C ATOM 1076 OE1 GLU A 70 -0.668 17.957 3.620 1.00 0.76 O ATOM 1077 OE2 GLU A 70 -2.536 17.080 4.370 1.00 0.73 O ATOM 0 H GLU A 70 0.568 15.452 1.176 1.00 0.17 H new ATOM 0 HA GLU A 70 1.402 15.761 3.931 1.00 0.19 H new ATOM 0 HB2 GLU A 70 -0.676 13.820 2.908 1.00 0.21 H new ATOM 0 HB3 GLU A 70 -0.658 14.711 4.416 1.00 0.21 H new ATOM 0 HG2 GLU A 70 -0.887 16.183 1.791 1.00 0.22 H new ATOM 0 HG3 GLU A 70 -2.296 15.416 2.496 1.00 0.22 H new ATOM 1084 N THR A 71 2.343 13.505 4.560 1.00 0.12 N ATOM 1085 CA THR A 71 3.091 12.282 4.833 1.00 0.10 C ATOM 1086 C THR A 71 2.303 11.230 5.628 1.00 0.13 C ATOM 1087 O THR A 71 2.758 10.100 5.729 1.00 0.13 O ATOM 1088 CB THR A 71 4.416 12.546 5.560 1.00 0.09 C ATOM 1089 OG1 THR A 71 4.191 13.327 6.739 1.00 0.12 O ATOM 1090 CG2 THR A 71 5.400 13.256 4.643 1.00 0.11 C ATOM 0 H THR A 71 2.249 14.134 5.358 1.00 0.12 H new ATOM 0 HA THR A 71 3.291 11.880 3.840 1.00 0.10 H new ATOM 0 HB THR A 71 4.843 11.586 5.850 1.00 0.09 H new ATOM 0 HG1 THR A 71 5.044 13.486 7.194 1.00 0.12 H new ATOM 0 HG21 THR A 71 6.333 13.434 5.178 1.00 0.11 H new ATOM 0 HG22 THR A 71 5.596 12.635 3.769 1.00 0.11 H new ATOM 0 HG23 THR A 71 4.978 14.209 4.324 1.00 0.11 H new ATOM 1098 N PRO A 72 1.147 11.549 6.255 1.00 0.17 N ATOM 1099 CA PRO A 72 0.370 10.528 6.960 1.00 0.23 C ATOM 1100 C PRO A 72 0.281 9.274 6.125 1.00 0.17 C ATOM 1101 O PRO A 72 0.278 8.147 6.623 1.00 0.17 O ATOM 1102 CB PRO A 72 -1.012 11.158 7.029 1.00 0.37 C ATOM 1103 CG PRO A 72 -0.747 12.616 7.144 1.00 0.32 C ATOM 1104 CD PRO A 72 0.514 12.881 6.360 1.00 0.18 C ATOM 0 HA PRO A 72 0.796 10.254 7.925 1.00 0.23 H new ATOM 0 HB2 PRO A 72 -1.598 10.929 6.139 1.00 0.37 H new ATOM 0 HB3 PRO A 72 -1.576 10.788 7.885 1.00 0.37 H new ATOM 0 HG2 PRO A 72 -1.581 13.195 6.747 1.00 0.32 H new ATOM 0 HG3 PRO A 72 -0.625 12.908 8.187 1.00 0.32 H new ATOM 0 HD2 PRO A 72 0.294 13.299 5.377 1.00 0.18 H new ATOM 0 HD3 PRO A 72 1.162 13.593 6.872 1.00 0.18 H new ATOM 1112 N TYR A 73 0.207 9.523 4.835 1.00 0.16 N ATOM 1113 CA TYR A 73 0.082 8.500 3.833 1.00 0.16 C ATOM 1114 C TYR A 73 1.435 7.948 3.362 1.00 0.13 C ATOM 1115 O TYR A 73 1.463 6.924 2.702 1.00 0.16 O ATOM 1116 CB TYR A 73 -0.722 9.074 2.672 1.00 0.18 C ATOM 1117 CG TYR A 73 -2.024 9.696 3.123 1.00 0.25 C ATOM 1118 CD1 TYR A 73 -2.923 8.987 3.908 1.00 0.96 C ATOM 1119 CD2 TYR A 73 -2.354 10.997 2.759 1.00 1.03 C ATOM 1120 CE1 TYR A 73 -4.116 9.556 4.320 1.00 0.96 C ATOM 1121 CE2 TYR A 73 -3.541 11.573 3.168 1.00 1.09 C ATOM 1122 CZ TYR A 73 -4.421 10.835 3.957 1.00 0.41 C ATOM 1123 OH TYR A 73 -5.601 11.420 4.357 1.00 0.50 O ATOM 0 H TYR A 73 0.233 10.467 4.450 1.00 0.16 H new ATOM 0 HA TYR A 73 -0.435 7.645 4.269 1.00 0.16 H new ATOM 0 HB2 TYR A 73 -0.124 9.825 2.156 1.00 0.18 H new ATOM 0 HB3 TYR A 73 -0.931 8.283 1.952 1.00 0.18 H new ATOM 0 HD1 TYR A 73 -2.688 7.975 4.202 1.00 0.96 H new ATOM 0 HD2 TYR A 73 -1.671 11.566 2.146 1.00 1.03 H new ATOM 0 HE1 TYR A 73 -4.804 8.988 4.928 1.00 0.96 H new ATOM 0 HE2 TYR A 73 -3.784 12.585 2.879 1.00 1.09 H new ATOM 0 HH TYR A 73 -5.648 12.334 4.006 1.00 0.50 H new ATOM 1133 N PHE A 74 2.553 8.630 3.658 1.00 0.11 N ATOM 1134 CA PHE A 74 3.863 8.128 3.217 1.00 0.10 C ATOM 1135 C PHE A 74 4.264 6.867 3.983 1.00 0.09 C ATOM 1136 O PHE A 74 4.764 5.904 3.391 1.00 0.08 O ATOM 1137 CB PHE A 74 4.946 9.245 3.208 1.00 0.11 C ATOM 1138 CG PHE A 74 5.822 9.445 4.427 1.00 0.11 C ATOM 1139 CD1 PHE A 74 5.375 9.234 5.717 1.00 0.73 C ATOM 1140 CD2 PHE A 74 7.125 9.890 4.249 1.00 0.73 C ATOM 1141 CE1 PHE A 74 6.206 9.456 6.803 1.00 0.73 C ATOM 1142 CE2 PHE A 74 7.956 10.116 5.327 1.00 0.75 C ATOM 1143 CZ PHE A 74 7.496 9.899 6.606 1.00 0.17 C ATOM 0 H PHE A 74 2.579 9.503 4.184 1.00 0.11 H new ATOM 0 HA PHE A 74 3.774 7.821 2.175 1.00 0.10 H new ATOM 0 HB2 PHE A 74 5.604 9.055 2.361 1.00 0.11 H new ATOM 0 HB3 PHE A 74 4.439 10.190 3.012 1.00 0.11 H new ATOM 0 HD1 PHE A 74 4.364 8.891 5.881 1.00 0.73 H new ATOM 0 HD2 PHE A 74 7.495 10.062 3.249 1.00 0.73 H new ATOM 0 HE1 PHE A 74 5.843 9.282 7.805 1.00 0.73 H new ATOM 0 HE2 PHE A 74 8.966 10.463 5.167 1.00 0.75 H new ATOM 0 HZ PHE A 74 8.144 10.075 7.452 1.00 0.17 H new ATOM 1153 N MET A 75 4.012 6.840 5.283 1.00 0.09 N ATOM 1154 CA MET A 75 4.305 5.648 6.065 1.00 0.09 C ATOM 1155 C MET A 75 3.214 4.647 5.763 1.00 0.09 C ATOM 1156 O MET A 75 3.447 3.445 5.643 1.00 0.11 O ATOM 1157 CB MET A 75 4.357 5.948 7.567 1.00 0.14 C ATOM 1158 CG MET A 75 3.794 7.305 7.952 1.00 0.30 C ATOM 1159 SD MET A 75 3.223 7.361 9.663 1.00 0.52 S ATOM 1160 CE MET A 75 4.723 6.929 10.540 1.00 1.81 C ATOM 0 H MET A 75 3.612 7.615 5.812 1.00 0.09 H new ATOM 0 HA MET A 75 5.287 5.259 5.797 1.00 0.09 H new ATOM 0 HB2 MET A 75 3.805 5.174 8.100 1.00 0.14 H new ATOM 0 HB3 MET A 75 5.393 5.889 7.902 1.00 0.14 H new ATOM 0 HG2 MET A 75 4.559 8.067 7.803 1.00 0.30 H new ATOM 0 HG3 MET A 75 2.965 7.552 7.288 1.00 0.30 H new ATOM 0 HE1 MET A 75 4.569 7.060 11.611 1.00 1.81 H new ATOM 0 HE2 MET A 75 4.978 5.889 10.334 1.00 1.81 H new ATOM 0 HE3 MET A 75 5.537 7.575 10.209 1.00 1.81 H new ATOM 1170 N LYS A 76 2.011 5.175 5.625 1.00 0.09 N ATOM 1171 CA LYS A 76 0.867 4.367 5.280 1.00 0.10 C ATOM 1172 C LYS A 76 1.061 3.859 3.858 1.00 0.10 C ATOM 1173 O LYS A 76 0.490 2.843 3.461 1.00 0.11 O ATOM 1174 CB LYS A 76 -0.401 5.198 5.403 1.00 0.11 C ATOM 1175 CG LYS A 76 -1.675 4.410 5.226 1.00 0.18 C ATOM 1176 CD LYS A 76 -2.553 5.032 4.162 1.00 0.19 C ATOM 1177 CE LYS A 76 -1.905 4.940 2.801 1.00 0.33 C ATOM 1178 NZ LYS A 76 -0.919 6.020 2.566 1.00 0.96 N ATOM 0 H LYS A 76 1.806 6.166 5.749 1.00 0.09 H new ATOM 0 HA LYS A 76 0.771 3.517 5.955 1.00 0.10 H new ATOM 0 HB2 LYS A 76 -0.415 5.676 6.383 1.00 0.11 H new ATOM 0 HB3 LYS A 76 -0.373 5.995 4.660 1.00 0.11 H new ATOM 0 HG2 LYS A 76 -1.436 3.383 4.951 1.00 0.18 H new ATOM 0 HG3 LYS A 76 -2.216 4.369 6.171 1.00 0.18 H new ATOM 0 HD2 LYS A 76 -3.519 4.528 4.143 1.00 0.19 H new ATOM 0 HD3 LYS A 76 -2.743 6.077 4.408 1.00 0.19 H new ATOM 0 HE2 LYS A 76 -1.410 3.974 2.703 1.00 0.33 H new ATOM 0 HE3 LYS A 76 -2.676 4.983 2.032 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 -0.833 6.195 1.544 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -1.236 6.889 3.041 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 0.006 5.735 2.947 1.00 0.96 H new ATOM 1192 N SER A 77 1.886 4.586 3.093 1.00 0.09 N ATOM 1193 CA SER A 77 2.204 4.182 1.734 1.00 0.09 C ATOM 1194 C SER A 77 3.023 2.930 1.845 1.00 0.08 C ATOM 1195 O SER A 77 2.754 1.922 1.197 1.00 0.09 O ATOM 1196 CB SER A 77 3.003 5.245 0.973 1.00 0.10 C ATOM 1197 OG SER A 77 4.395 5.045 1.129 1.00 0.10 O ATOM 0 H SER A 77 2.338 5.449 3.397 1.00 0.09 H new ATOM 0 HA SER A 77 1.280 4.032 1.176 1.00 0.09 H new ATOM 0 HB2 SER A 77 2.744 5.211 -0.085 1.00 0.10 H new ATOM 0 HB3 SER A 77 2.732 6.237 1.335 1.00 0.10 H new ATOM 0 HG SER A 77 4.719 5.575 1.887 1.00 0.10 H new ATOM 1203 N ILE A 78 4.039 3.012 2.697 1.00 0.09 N ATOM 1204 CA ILE A 78 4.890 1.876 2.953 1.00 0.09 C ATOM 1205 C ILE A 78 4.008 0.687 3.310 1.00 0.11 C ATOM 1206 O ILE A 78 4.251 -0.432 2.874 1.00 0.12 O ATOM 1207 CB ILE A 78 5.897 2.172 4.096 1.00 0.08 C ATOM 1208 CG1 ILE A 78 7.303 1.761 3.678 1.00 0.11 C ATOM 1209 CG2 ILE A 78 5.507 1.471 5.389 1.00 0.09 C ATOM 1210 CD1 ILE A 78 7.843 2.597 2.547 1.00 0.13 C ATOM 0 H ILE A 78 4.286 3.854 3.216 1.00 0.09 H new ATOM 0 HA ILE A 78 5.475 1.654 2.061 1.00 0.09 H new ATOM 0 HB ILE A 78 5.876 3.245 4.284 1.00 0.08 H new ATOM 0 HG12 ILE A 78 7.971 1.843 4.536 1.00 0.11 H new ATOM 0 HG13 ILE A 78 7.296 0.713 3.378 1.00 0.11 H new ATOM 0 HG21 ILE A 78 6.237 1.704 6.164 1.00 0.09 H new ATOM 0 HG22 ILE A 78 4.521 1.813 5.705 1.00 0.09 H new ATOM 0 HG23 ILE A 78 5.483 0.394 5.226 1.00 0.09 H new ATOM 0 HD11 ILE A 78 8.847 2.259 2.292 1.00 0.13 H new ATOM 0 HD12 ILE A 78 7.194 2.495 1.677 1.00 0.13 H new ATOM 0 HD13 ILE A 78 7.879 3.643 2.852 1.00 0.13 H new ATOM 1222 N ASP A 79 2.954 0.966 4.078 1.00 0.11 N ATOM 1223 CA ASP A 79 2.014 -0.063 4.503 1.00 0.13 C ATOM 1224 C ASP A 79 1.320 -0.724 3.312 1.00 0.13 C ATOM 1225 O ASP A 79 1.285 -1.949 3.221 1.00 0.16 O ATOM 1226 CB ASP A 79 0.981 0.526 5.462 1.00 0.13 C ATOM 1227 CG ASP A 79 1.433 0.463 6.908 1.00 0.15 C ATOM 1228 OD1 ASP A 79 1.245 -0.597 7.542 1.00 0.68 O ATOM 1229 OD2 ASP A 79 1.974 1.472 7.405 1.00 0.69 O ATOM 0 H ASP A 79 2.732 1.902 4.418 1.00 0.11 H new ATOM 0 HA ASP A 79 2.582 -0.835 5.022 1.00 0.13 H new ATOM 0 HB2 ASP A 79 0.786 1.563 5.190 1.00 0.13 H new ATOM 0 HB3 ASP A 79 0.040 -0.014 5.354 1.00 0.13 H new ATOM 1234 N CYS A 80 0.741 0.069 2.407 1.00 0.14 N ATOM 1235 CA CYS A 80 0.086 -0.514 1.237 1.00 0.16 C ATOM 1236 C CYS A 80 1.094 -1.317 0.417 1.00 0.14 C ATOM 1237 O CYS A 80 0.744 -2.327 -0.192 1.00 0.13 O ATOM 1238 CB CYS A 80 -0.631 0.538 0.394 1.00 0.23 C ATOM 1239 SG CYS A 80 0.068 2.188 0.492 1.00 0.65 S ATOM 0 H CYS A 80 0.712 1.087 2.459 1.00 0.14 H new ATOM 0 HA CYS A 80 -0.689 -1.196 1.587 1.00 0.16 H new ATOM 0 HB2 CYS A 80 -0.622 0.216 -0.647 1.00 0.23 H new ATOM 0 HB3 CYS A 80 -1.675 0.582 0.705 1.00 0.23 H new ATOM 0 HG CYS A 80 1.359 2.121 0.355 1.00 0.65 H new ATOM 1245 N ILE A 81 2.348 -0.864 0.400 1.00 0.16 N ATOM 1246 CA ILE A 81 3.399 -1.611 -0.281 1.00 0.17 C ATOM 1247 C ILE A 81 3.517 -2.949 0.434 1.00 0.17 C ATOM 1248 O ILE A 81 3.558 -4.004 -0.187 1.00 0.19 O ATOM 1249 CB ILE A 81 4.769 -0.900 -0.196 1.00 0.18 C ATOM 1250 CG1 ILE A 81 4.939 0.121 -1.318 1.00 0.18 C ATOM 1251 CG2 ILE A 81 5.905 -1.915 -0.213 1.00 0.20 C ATOM 1252 CD1 ILE A 81 4.741 1.545 -0.855 1.00 0.32 C ATOM 0 H ILE A 81 2.655 0.002 0.843 1.00 0.16 H new ATOM 0 HA ILE A 81 3.141 -1.710 -1.335 1.00 0.17 H new ATOM 0 HB ILE A 81 4.804 -0.360 0.750 1.00 0.18 H new ATOM 0 HG12 ILE A 81 5.936 0.019 -1.746 1.00 0.18 H new ATOM 0 HG13 ILE A 81 4.227 -0.099 -2.113 1.00 0.18 H new ATOM 0 HG21 ILE A 81 6.860 -1.393 -0.152 1.00 0.20 H new ATOM 0 HG22 ILE A 81 5.804 -2.588 0.639 1.00 0.20 H new ATOM 0 HG23 ILE A 81 5.864 -2.491 -1.137 1.00 0.20 H new ATOM 0 HD11 ILE A 81 4.875 2.223 -1.698 1.00 0.32 H new ATOM 0 HD12 ILE A 81 3.735 1.660 -0.453 1.00 0.32 H new ATOM 0 HD13 ILE A 81 5.471 1.780 -0.080 1.00 0.32 H new ATOM 1264 N ARG A 82 3.574 -2.868 1.767 1.00 0.18 N ATOM 1265 CA ARG A 82 3.661 -4.044 2.622 1.00 0.20 C ATOM 1266 C ARG A 82 2.575 -5.033 2.223 1.00 0.26 C ATOM 1267 O ARG A 82 2.806 -6.241 2.159 1.00 0.36 O ATOM 1268 CB ARG A 82 3.493 -3.634 4.091 1.00 0.18 C ATOM 1269 CG ARG A 82 4.786 -3.522 4.876 1.00 0.18 C ATOM 1270 CD ARG A 82 5.454 -2.177 4.659 1.00 0.16 C ATOM 1271 NE ARG A 82 6.480 -1.899 5.664 1.00 0.33 N ATOM 1272 CZ ARG A 82 7.585 -2.620 5.817 1.00 0.92 C ATOM 1273 NH1 ARG A 82 7.814 -3.664 5.034 1.00 2.05 N ATOM 1274 NH2 ARG A 82 8.466 -2.299 6.755 1.00 0.85 N ATOM 0 H ARG A 82 3.561 -1.985 2.278 1.00 0.18 H new ATOM 0 HA ARG A 82 4.637 -4.514 2.502 1.00 0.20 H new ATOM 0 HB2 ARG A 82 2.978 -2.674 4.128 1.00 0.18 H new ATOM 0 HB3 ARG A 82 2.848 -4.361 4.584 1.00 0.18 H new ATOM 0 HG2 ARG A 82 4.581 -3.661 5.938 1.00 0.18 H new ATOM 0 HG3 ARG A 82 5.466 -4.320 4.575 1.00 0.18 H new ATOM 0 HD2 ARG A 82 5.904 -2.153 3.667 1.00 0.16 H new ATOM 0 HD3 ARG A 82 4.700 -1.391 4.686 1.00 0.16 H new ATOM 0 HE ARG A 82 6.338 -1.103 6.285 1.00 0.33 H new ATOM 0 HH11 ARG A 82 7.141 -3.916 4.311 1.00 2.05 H new ATOM 0 HH12 ARG A 82 8.664 -4.215 5.155 1.00 2.05 H new ATOM 0 HH21 ARG A 82 8.296 -1.497 7.361 1.00 0.85 H new ATOM 0 HH22 ARG A 82 9.314 -2.855 6.870 1.00 0.85 H new ATOM 1288 N ALA A 83 1.386 -4.496 1.964 1.00 0.22 N ATOM 1289 CA ALA A 83 0.251 -5.299 1.530 1.00 0.27 C ATOM 1290 C ALA A 83 0.629 -6.055 0.281 1.00 0.31 C ATOM 1291 O ALA A 83 0.537 -7.278 0.207 1.00 0.40 O ATOM 1292 CB ALA A 83 -0.929 -4.400 1.221 1.00 0.25 C ATOM 0 H ALA A 83 1.185 -3.500 2.049 1.00 0.22 H new ATOM 0 HA ALA A 83 -0.021 -5.995 2.324 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -1.774 -5.007 0.897 1.00 0.25 H new ATOM 0 HB2 ALA A 83 -1.205 -3.842 2.116 1.00 0.25 H new ATOM 0 HB3 ALA A 83 -0.658 -3.703 0.428 1.00 0.25 H new ATOM 1298 N PHE A 84 1.056 -5.280 -0.698 1.00 0.30 N ATOM 1299 CA PHE A 84 1.493 -5.801 -1.975 1.00 0.40 C ATOM 1300 C PHE A 84 2.478 -6.912 -1.790 1.00 0.36 C ATOM 1301 O PHE A 84 2.372 -7.979 -2.390 1.00 0.36 O ATOM 1302 CB PHE A 84 2.237 -4.712 -2.720 1.00 0.65 C ATOM 1303 CG PHE A 84 1.436 -3.943 -3.687 1.00 1.18 C ATOM 1304 CD1 PHE A 84 0.385 -4.552 -4.332 1.00 2.00 C ATOM 1305 CD2 PHE A 84 1.710 -2.620 -3.939 1.00 2.05 C ATOM 1306 CE1 PHE A 84 -0.382 -3.854 -5.216 1.00 3.01 C ATOM 1307 CE2 PHE A 84 0.946 -1.914 -4.819 1.00 3.01 C ATOM 1308 CZ PHE A 84 -0.007 -2.494 -5.516 1.00 3.37 C ATOM 0 H PHE A 84 1.109 -4.264 -0.627 1.00 0.30 H new ATOM 0 HA PHE A 84 0.611 -6.151 -2.511 1.00 0.40 H new ATOM 0 HB2 PHE A 84 2.657 -4.019 -1.991 1.00 0.65 H new ATOM 0 HB3 PHE A 84 3.075 -5.166 -3.249 1.00 0.65 H new ATOM 0 HD1 PHE A 84 0.166 -5.591 -4.136 1.00 2.00 H new ATOM 0 HD2 PHE A 84 2.535 -2.137 -3.437 1.00 2.05 H new ATOM 0 HE1 PHE A 84 -1.246 -4.306 -5.679 1.00 3.01 H new ATOM 0 HE2 PHE A 84 1.126 -0.857 -4.947 1.00 3.01 H new ATOM 0 HZ PHE A 84 -0.506 -1.955 -6.308 1.00 3.37 H new ATOM 1318 N ARG A 85 3.445 -6.628 -0.947 1.00 0.39 N ATOM 1319 CA ARG A 85 4.519 -7.538 -0.710 1.00 0.43 C ATOM 1320 C ARG A 85 4.025 -8.930 -0.317 1.00 0.38 C ATOM 1321 O ARG A 85 4.313 -9.916 -0.999 1.00 0.37 O ATOM 1322 CB ARG A 85 5.464 -6.990 0.358 1.00 0.56 C ATOM 1323 CG ARG A 85 6.126 -5.681 -0.038 1.00 0.88 C ATOM 1324 CD ARG A 85 7.071 -5.191 1.040 1.00 0.72 C ATOM 1325 NE ARG A 85 8.198 -6.104 1.225 1.00 1.07 N ATOM 1326 CZ ARG A 85 9.071 -6.014 2.222 1.00 1.14 C ATOM 1327 NH1 ARG A 85 8.943 -5.065 3.136 1.00 1.31 N ATOM 1328 NH2 ARG A 85 10.072 -6.878 2.308 1.00 1.75 N ATOM 0 H ARG A 85 3.500 -5.761 -0.413 1.00 0.39 H new ATOM 0 HA ARG A 85 5.062 -7.640 -1.649 1.00 0.43 H new ATOM 0 HB2 ARG A 85 4.908 -6.842 1.284 1.00 0.56 H new ATOM 0 HB3 ARG A 85 6.236 -7.731 0.565 1.00 0.56 H new ATOM 0 HG2 ARG A 85 6.674 -5.816 -0.970 1.00 0.88 H new ATOM 0 HG3 ARG A 85 5.362 -4.927 -0.224 1.00 0.88 H new ATOM 0 HD2 ARG A 85 7.444 -4.201 0.775 1.00 0.72 H new ATOM 0 HD3 ARG A 85 6.529 -5.087 1.980 1.00 0.72 H new ATOM 0 HE ARG A 85 8.321 -6.856 0.547 1.00 1.07 H new ATOM 0 HH11 ARG A 85 8.172 -4.400 3.076 1.00 1.31 H new ATOM 0 HH12 ARG A 85 9.615 -4.999 3.900 1.00 1.31 H new ATOM 0 HH21 ARG A 85 10.173 -7.613 1.608 1.00 1.75 H new ATOM 0 HH22 ARG A 85 10.742 -6.808 3.074 1.00 1.75 H new ATOM 1342 N GLU A 86 3.281 -9.003 0.784 1.00 0.38 N ATOM 1343 CA GLU A 86 2.765 -10.276 1.281 1.00 0.36 C ATOM 1344 C GLU A 86 1.739 -10.885 0.328 1.00 0.31 C ATOM 1345 O GLU A 86 1.903 -12.016 -0.121 1.00 0.44 O ATOM 1346 CB GLU A 86 2.138 -10.087 2.663 1.00 0.41 C ATOM 1347 CG GLU A 86 3.087 -9.487 3.687 1.00 1.13 C ATOM 1348 CD GLU A 86 2.424 -9.257 5.030 1.00 1.53 C ATOM 1349 OE1 GLU A 86 1.795 -8.192 5.206 1.00 1.89 O ATOM 1350 OE2 GLU A 86 2.535 -10.140 5.907 1.00 1.91 O ATOM 0 H GLU A 86 3.022 -8.195 1.350 1.00 0.38 H new ATOM 0 HA GLU A 86 3.607 -10.965 1.351 1.00 0.36 H new ATOM 0 HB2 GLU A 86 1.263 -9.443 2.570 1.00 0.41 H new ATOM 0 HB3 GLU A 86 1.787 -11.052 3.028 1.00 0.41 H new ATOM 0 HG2 GLU A 86 3.942 -10.150 3.817 1.00 1.13 H new ATOM 0 HG3 GLU A 86 3.472 -8.540 3.309 1.00 1.13 H new ATOM 1357 N GLU A 87 0.695 -10.125 0.007 1.00 0.18 N ATOM 1358 CA GLU A 87 -0.359 -10.607 -0.887 1.00 0.15 C ATOM 1359 C GLU A 87 0.226 -11.207 -2.159 1.00 0.14 C ATOM 1360 O GLU A 87 -0.187 -12.283 -2.581 1.00 0.14 O ATOM 1361 CB GLU A 87 -1.323 -9.472 -1.236 1.00 0.18 C ATOM 1362 CG GLU A 87 -2.452 -9.304 -0.231 1.00 0.24 C ATOM 1363 CD GLU A 87 -1.958 -9.239 1.201 1.00 0.86 C ATOM 1364 OE1 GLU A 87 -1.535 -8.147 1.634 1.00 1.83 O ATOM 1365 OE2 GLU A 87 -1.996 -10.279 1.889 1.00 1.06 O ATOM 0 H GLU A 87 0.555 -9.175 0.351 1.00 0.18 H new ATOM 0 HA GLU A 87 -0.907 -11.391 -0.364 1.00 0.15 H new ATOM 0 HB2 GLU A 87 -0.764 -8.539 -1.302 1.00 0.18 H new ATOM 0 HB3 GLU A 87 -1.749 -9.658 -2.222 1.00 0.18 H new ATOM 0 HG2 GLU A 87 -3.005 -8.394 -0.462 1.00 0.24 H new ATOM 0 HG3 GLU A 87 -3.150 -10.135 -0.333 1.00 0.24 H new ATOM 1372 N ALA A 88 1.190 -10.522 -2.767 1.00 0.18 N ATOM 1373 CA ALA A 88 1.805 -11.029 -3.986 1.00 0.17 C ATOM 1374 C ALA A 88 2.298 -12.452 -3.775 1.00 0.17 C ATOM 1375 O ALA A 88 2.140 -13.309 -4.643 1.00 0.18 O ATOM 1376 CB ALA A 88 2.935 -10.132 -4.451 1.00 0.19 C ATOM 0 H ALA A 88 1.557 -9.628 -2.441 1.00 0.18 H new ATOM 0 HA ALA A 88 1.047 -11.034 -4.769 1.00 0.17 H new ATOM 0 HB1 ALA A 88 3.372 -10.540 -5.363 1.00 0.19 H new ATOM 0 HB2 ALA A 88 2.548 -9.133 -4.649 1.00 0.19 H new ATOM 0 HB3 ALA A 88 3.699 -10.078 -3.676 1.00 0.19 H new ATOM 1382 N ILE A 89 2.900 -12.692 -2.614 1.00 0.20 N ATOM 1383 CA ILE A 89 3.379 -14.021 -2.272 1.00 0.23 C ATOM 1384 C ILE A 89 2.206 -14.985 -2.242 1.00 0.24 C ATOM 1385 O ILE A 89 2.222 -16.034 -2.886 1.00 0.31 O ATOM 1386 CB ILE A 89 4.074 -14.036 -0.897 1.00 0.28 C ATOM 1387 CG1 ILE A 89 5.392 -13.262 -0.953 1.00 0.74 C ATOM 1388 CG2 ILE A 89 4.301 -15.469 -0.441 1.00 0.60 C ATOM 1389 CD1 ILE A 89 6.013 -13.019 0.406 1.00 1.52 C ATOM 0 H ILE A 89 3.066 -11.984 -1.898 1.00 0.20 H new ATOM 0 HA ILE A 89 4.105 -14.322 -3.027 1.00 0.23 H new ATOM 0 HB ILE A 89 3.428 -13.544 -0.171 1.00 0.28 H new ATOM 0 HG12 ILE A 89 6.100 -13.812 -1.573 1.00 0.74 H new ATOM 0 HG13 ILE A 89 5.219 -12.303 -1.441 1.00 0.74 H new ATOM 0 HG21 ILE A 89 4.793 -15.468 0.532 1.00 0.60 H new ATOM 0 HG22 ILE A 89 3.342 -15.982 -0.362 1.00 0.60 H new ATOM 0 HG23 ILE A 89 4.931 -15.986 -1.165 1.00 0.60 H new ATOM 0 HD11 ILE A 89 6.944 -12.465 0.287 1.00 1.52 H new ATOM 0 HD12 ILE A 89 5.324 -12.442 1.023 1.00 1.52 H new ATOM 0 HD13 ILE A 89 6.218 -13.975 0.888 1.00 1.52 H new ATOM 1401 N LYS A 90 1.186 -14.608 -1.479 1.00 0.24 N ATOM 1402 CA LYS A 90 -0.020 -15.407 -1.358 1.00 0.29 C ATOM 1403 C LYS A 90 -0.779 -15.464 -2.682 1.00 0.30 C ATOM 1404 O LYS A 90 -1.720 -16.244 -2.836 1.00 0.43 O ATOM 1405 CB LYS A 90 -0.918 -14.851 -0.248 1.00 0.35 C ATOM 1406 CG LYS A 90 -0.709 -15.519 1.108 1.00 0.33 C ATOM 1407 CD LYS A 90 0.718 -15.369 1.610 1.00 0.66 C ATOM 1408 CE LYS A 90 1.029 -13.928 1.963 1.00 1.74 C ATOM 1409 NZ LYS A 90 2.438 -13.755 2.409 1.00 2.42 N ATOM 0 H LYS A 90 1.175 -13.747 -0.933 1.00 0.24 H new ATOM 0 HA LYS A 90 0.273 -16.424 -1.096 1.00 0.29 H new ATOM 0 HB2 LYS A 90 -0.735 -13.781 -0.147 1.00 0.35 H new ATOM 0 HB3 LYS A 90 -1.960 -14.969 -0.544 1.00 0.35 H new ATOM 0 HG2 LYS A 90 -1.395 -15.084 1.835 1.00 0.33 H new ATOM 0 HG3 LYS A 90 -0.955 -16.578 1.031 1.00 0.33 H new ATOM 0 HD2 LYS A 90 0.866 -16.000 2.486 1.00 0.66 H new ATOM 0 HD3 LYS A 90 1.413 -15.717 0.846 1.00 0.66 H new ATOM 0 HE2 LYS A 90 0.843 -13.294 1.096 1.00 1.74 H new ATOM 0 HE3 LYS A 90 0.355 -13.595 2.752 1.00 1.74 H new ATOM 0 HZ1 LYS A 90 2.821 -12.872 2.015 1.00 2.42 H new ATOM 0 HZ2 LYS A 90 2.471 -13.714 3.448 1.00 2.42 H new ATOM 0 HZ3 LYS A 90 3.009 -14.558 2.076 1.00 2.42 H new ATOM 1423 N PHE A 91 -0.366 -14.631 -3.635 1.00 0.18 N ATOM 1424 CA PHE A 91 -1.009 -14.583 -4.943 1.00 0.19 C ATOM 1425 C PHE A 91 -0.051 -14.992 -6.056 1.00 0.20 C ATOM 1426 O PHE A 91 -0.322 -14.757 -7.234 1.00 0.26 O ATOM 1427 CB PHE A 91 -1.576 -13.190 -5.207 1.00 0.21 C ATOM 1428 CG PHE A 91 -2.942 -12.996 -4.615 1.00 0.26 C ATOM 1429 CD1 PHE A 91 -3.090 -12.643 -3.285 1.00 0.73 C ATOM 1430 CD2 PHE A 91 -4.077 -13.162 -5.390 1.00 0.83 C ATOM 1431 CE1 PHE A 91 -4.345 -12.458 -2.739 1.00 0.74 C ATOM 1432 CE2 PHE A 91 -5.333 -12.978 -4.852 1.00 0.90 C ATOM 1433 CZ PHE A 91 -5.469 -12.650 -3.517 1.00 0.43 C ATOM 0 H PHE A 91 0.412 -13.980 -3.524 1.00 0.18 H new ATOM 0 HA PHE A 91 -1.829 -15.301 -4.936 1.00 0.19 H new ATOM 0 HB2 PHE A 91 -0.897 -12.443 -4.796 1.00 0.21 H new ATOM 0 HB3 PHE A 91 -1.624 -13.020 -6.283 1.00 0.21 H new ATOM 0 HD1 PHE A 91 -2.214 -12.511 -2.667 1.00 0.73 H new ATOM 0 HD2 PHE A 91 -3.977 -13.439 -6.429 1.00 0.83 H new ATOM 0 HE1 PHE A 91 -4.447 -12.164 -1.705 1.00 0.74 H new ATOM 0 HE2 PHE A 91 -6.209 -13.090 -5.473 1.00 0.90 H new ATOM 0 HZ PHE A 91 -6.452 -12.544 -3.083 1.00 0.43 H new ATOM 1443 N SER A 92 1.061 -15.619 -5.672 1.00 0.20 N ATOM 1444 CA SER A 92 2.066 -16.072 -6.633 1.00 0.23 C ATOM 1445 C SER A 92 2.322 -15.013 -7.700 1.00 0.27 C ATOM 1446 O SER A 92 1.902 -15.158 -8.849 1.00 0.61 O ATOM 1447 CB SER A 92 1.625 -17.381 -7.289 1.00 0.24 C ATOM 1448 OG SER A 92 1.467 -18.407 -6.326 1.00 0.25 O ATOM 0 H SER A 92 1.289 -15.825 -4.699 1.00 0.20 H new ATOM 0 HA SER A 92 2.996 -16.243 -6.090 1.00 0.23 H new ATOM 0 HB2 SER A 92 0.685 -17.227 -7.818 1.00 0.24 H new ATOM 0 HB3 SER A 92 2.363 -17.686 -8.032 1.00 0.24 H new ATOM 0 HG SER A 92 1.183 -19.233 -6.771 1.00 0.25 H new ATOM 1454 N GLU A 93 3.008 -13.945 -7.310 1.00 0.20 N ATOM 1455 CA GLU A 93 3.317 -12.856 -8.227 1.00 0.18 C ATOM 1456 C GLU A 93 4.659 -12.217 -7.884 1.00 0.18 C ATOM 1457 O GLU A 93 4.731 -11.313 -7.052 1.00 0.19 O ATOM 1458 CB GLU A 93 2.205 -11.805 -8.186 1.00 0.19 C ATOM 1459 CG GLU A 93 0.974 -12.185 -8.994 1.00 0.27 C ATOM 1460 CD GLU A 93 1.266 -12.317 -10.476 1.00 0.74 C ATOM 1461 OE1 GLU A 93 1.291 -11.278 -11.171 1.00 0.96 O ATOM 1462 OE2 GLU A 93 1.469 -13.457 -10.942 1.00 1.46 O ATOM 0 H GLU A 93 3.361 -13.810 -6.363 1.00 0.20 H new ATOM 0 HA GLU A 93 3.384 -13.266 -9.235 1.00 0.18 H new ATOM 0 HB2 GLU A 93 1.911 -11.640 -7.149 1.00 0.19 H new ATOM 0 HB3 GLU A 93 2.597 -10.859 -8.561 1.00 0.19 H new ATOM 0 HG2 GLU A 93 0.576 -13.129 -8.621 1.00 0.27 H new ATOM 0 HG3 GLU A 93 0.200 -11.432 -8.846 1.00 0.27 H new ATOM 1469 N GLU A 94 5.722 -12.699 -8.525 1.00 0.21 N ATOM 1470 CA GLU A 94 7.063 -12.175 -8.285 1.00 0.24 C ATOM 1471 C GLU A 94 7.333 -10.942 -9.142 1.00 0.25 C ATOM 1472 O GLU A 94 8.080 -10.050 -8.744 1.00 0.31 O ATOM 1473 CB GLU A 94 8.119 -13.253 -8.555 1.00 0.28 C ATOM 1474 CG GLU A 94 7.912 -14.019 -9.853 1.00 0.33 C ATOM 1475 CD GLU A 94 8.287 -13.213 -11.081 1.00 0.92 C ATOM 1476 OE1 GLU A 94 9.472 -12.840 -11.207 1.00 1.53 O ATOM 1477 OE2 GLU A 94 7.395 -12.956 -11.916 1.00 1.46 O ATOM 0 H GLU A 94 5.680 -13.450 -9.213 1.00 0.21 H new ATOM 0 HA GLU A 94 7.124 -11.880 -7.237 1.00 0.24 H new ATOM 0 HB2 GLU A 94 9.103 -12.784 -8.576 1.00 0.28 H new ATOM 0 HB3 GLU A 94 8.120 -13.960 -7.725 1.00 0.28 H new ATOM 0 HG2 GLU A 94 8.507 -14.932 -9.829 1.00 0.33 H new ATOM 0 HG3 GLU A 94 6.867 -14.321 -9.928 1.00 0.33 H new ATOM 1484 N GLN A 95 6.717 -10.897 -10.321 1.00 0.25 N ATOM 1485 CA GLN A 95 6.890 -9.769 -11.228 1.00 0.28 C ATOM 1486 C GLN A 95 6.261 -8.514 -10.643 1.00 0.23 C ATOM 1487 O GLN A 95 6.840 -7.430 -10.705 1.00 0.20 O ATOM 1488 CB GLN A 95 6.278 -10.083 -12.595 1.00 0.33 C ATOM 1489 CG GLN A 95 4.821 -10.514 -12.526 1.00 0.73 C ATOM 1490 CD GLN A 95 4.245 -10.863 -13.886 1.00 0.78 C ATOM 1491 OE1 GLN A 95 3.369 -11.722 -13.998 1.00 1.54 O ATOM 1492 NE2 GLN A 95 4.730 -10.194 -14.928 1.00 1.03 N ATOM 0 H GLN A 95 6.096 -11.627 -10.668 1.00 0.25 H new ATOM 0 HA GLN A 95 7.958 -9.593 -11.358 1.00 0.28 H new ATOM 0 HB2 GLN A 95 6.357 -9.201 -13.230 1.00 0.33 H new ATOM 0 HB3 GLN A 95 6.859 -10.872 -13.071 1.00 0.33 H new ATOM 0 HG2 GLN A 95 4.733 -11.378 -11.867 1.00 0.73 H new ATOM 0 HG3 GLN A 95 4.231 -9.713 -12.081 1.00 0.73 H new ATOM 0 HE21 GLN A 95 5.456 -9.491 -14.790 1.00 1.03 H new ATOM 0 HE22 GLN A 95 4.376 -10.384 -15.866 1.00 1.03 H new ATOM 1501 N ARG A 96 5.069 -8.671 -10.078 1.00 0.25 N ATOM 1502 CA ARG A 96 4.360 -7.558 -9.461 1.00 0.22 C ATOM 1503 C ARG A 96 5.231 -6.879 -8.423 1.00 0.20 C ATOM 1504 O ARG A 96 5.176 -5.664 -8.257 1.00 0.26 O ATOM 1505 CB ARG A 96 3.068 -8.052 -8.810 1.00 0.25 C ATOM 1506 CG ARG A 96 2.565 -7.165 -7.700 1.00 0.95 C ATOM 1507 CD ARG A 96 1.799 -5.980 -8.235 1.00 0.63 C ATOM 1508 NE ARG A 96 2.653 -5.043 -8.961 1.00 1.42 N ATOM 1509 CZ ARG A 96 2.440 -4.676 -10.220 1.00 2.22 C ATOM 1510 NH1 ARG A 96 1.413 -5.173 -10.896 1.00 2.57 N ATOM 1511 NH2 ARG A 96 3.256 -3.812 -10.808 1.00 2.99 N ATOM 0 H ARG A 96 4.573 -9.561 -10.035 1.00 0.25 H new ATOM 0 HA ARG A 96 4.115 -6.835 -10.239 1.00 0.22 H new ATOM 0 HB2 ARG A 96 2.296 -8.134 -9.575 1.00 0.25 H new ATOM 0 HB3 ARG A 96 3.232 -9.054 -8.415 1.00 0.25 H new ATOM 0 HG2 ARG A 96 1.923 -7.743 -7.035 1.00 0.95 H new ATOM 0 HG3 ARG A 96 3.408 -6.814 -7.104 1.00 0.95 H new ATOM 0 HD2 ARG A 96 1.007 -6.332 -8.896 1.00 0.63 H new ATOM 0 HD3 ARG A 96 1.316 -5.460 -7.408 1.00 0.63 H new ATOM 0 HE ARG A 96 3.458 -4.649 -8.474 1.00 1.42 H new ATOM 0 HH11 ARG A 96 0.783 -5.840 -10.450 1.00 2.57 H new ATOM 0 HH12 ARG A 96 1.253 -4.889 -11.862 1.00 2.57 H new ATOM 0 HH21 ARG A 96 4.049 -3.428 -10.294 1.00 2.99 H new ATOM 0 HH22 ARG A 96 3.091 -3.531 -11.775 1.00 2.99 H new ATOM 1525 N PHE A 97 6.040 -7.666 -7.734 1.00 0.27 N ATOM 1526 CA PHE A 97 6.903 -7.135 -6.695 1.00 0.31 C ATOM 1527 C PHE A 97 7.934 -6.169 -7.262 1.00 0.25 C ATOM 1528 O PHE A 97 7.972 -4.998 -6.880 1.00 0.22 O ATOM 1529 CB PHE A 97 7.597 -8.278 -5.950 1.00 0.45 C ATOM 1530 CG PHE A 97 7.930 -7.967 -4.517 1.00 0.48 C ATOM 1531 CD1 PHE A 97 8.769 -6.910 -4.206 1.00 0.94 C ATOM 1532 CD2 PHE A 97 7.402 -8.726 -3.484 1.00 1.29 C ATOM 1533 CE1 PHE A 97 9.075 -6.615 -2.892 1.00 0.92 C ATOM 1534 CE2 PHE A 97 7.706 -8.435 -2.168 1.00 1.39 C ATOM 1535 CZ PHE A 97 8.548 -7.406 -1.867 1.00 0.67 C ATOM 0 H PHE A 97 6.117 -8.673 -7.876 1.00 0.27 H new ATOM 0 HA PHE A 97 6.279 -6.579 -5.995 1.00 0.31 H new ATOM 0 HB2 PHE A 97 6.955 -9.158 -5.979 1.00 0.45 H new ATOM 0 HB3 PHE A 97 8.516 -8.536 -6.477 1.00 0.45 H new ATOM 0 HD1 PHE A 97 9.189 -6.310 -5.000 1.00 0.94 H new ATOM 0 HD2 PHE A 97 6.746 -9.554 -3.710 1.00 1.29 H new ATOM 0 HE1 PHE A 97 9.717 -5.779 -2.658 1.00 0.92 H new ATOM 0 HE2 PHE A 97 7.274 -9.026 -1.374 1.00 1.39 H new ATOM 0 HZ PHE A 97 8.807 -7.202 -0.839 1.00 0.67 H new ATOM 1545 N ASN A 98 8.769 -6.653 -8.176 1.00 0.28 N ATOM 1546 CA ASN A 98 9.794 -5.807 -8.767 1.00 0.26 C ATOM 1547 C ASN A 98 9.165 -4.714 -9.612 1.00 0.21 C ATOM 1548 O ASN A 98 9.779 -3.679 -9.861 1.00 0.21 O ATOM 1549 CB ASN A 98 10.761 -6.637 -9.613 1.00 0.34 C ATOM 1550 CG ASN A 98 10.048 -7.475 -10.654 1.00 0.43 C ATOM 1551 OD1 ASN A 98 9.680 -8.621 -10.398 1.00 1.03 O ATOM 1552 ND2 ASN A 98 9.851 -6.908 -11.839 1.00 1.22 N ATOM 0 H ASN A 98 8.756 -7.614 -8.518 1.00 0.28 H new ATOM 0 HA ASN A 98 10.355 -5.341 -7.957 1.00 0.26 H new ATOM 0 HB2 ASN A 98 11.468 -5.972 -10.109 1.00 0.34 H new ATOM 0 HB3 ASN A 98 11.341 -7.290 -8.961 1.00 0.34 H new ATOM 0 HD21 ASN A 98 9.378 -7.426 -12.580 1.00 1.22 H new ATOM 0 HD22 ASN A 98 10.173 -5.955 -12.008 1.00 1.22 H new ATOM 1559 N ASN A 99 7.929 -4.937 -10.037 1.00 0.18 N ATOM 1560 CA ASN A 99 7.236 -3.962 -10.858 1.00 0.20 C ATOM 1561 C ASN A 99 6.690 -2.816 -10.019 1.00 0.19 C ATOM 1562 O ASN A 99 6.874 -1.650 -10.368 1.00 0.24 O ATOM 1563 CB ASN A 99 6.106 -4.626 -11.647 1.00 0.22 C ATOM 1564 CG ASN A 99 6.594 -5.262 -12.934 1.00 0.63 C ATOM 1565 OD1 ASN A 99 7.731 -5.726 -13.020 1.00 1.41 O ATOM 1566 ND2 ASN A 99 5.735 -5.284 -13.948 1.00 1.14 N ATOM 0 H ASN A 99 7.392 -5.778 -9.827 1.00 0.18 H new ATOM 0 HA ASN A 99 7.960 -3.550 -11.561 1.00 0.20 H new ATOM 0 HB2 ASN A 99 5.632 -5.386 -11.027 1.00 0.22 H new ATOM 0 HB3 ASN A 99 5.343 -3.883 -11.879 1.00 0.22 H new ATOM 0 HD21 ASN A 99 6.009 -5.697 -14.840 1.00 1.14 H new ATOM 0 HD22 ASN A 99 4.802 -4.888 -13.834 1.00 1.14 H new ATOM 1573 N PHE A 100 6.038 -3.132 -8.903 1.00 0.18 N ATOM 1574 CA PHE A 100 5.480 -2.084 -8.064 1.00 0.23 C ATOM 1575 C PHE A 100 6.592 -1.348 -7.339 1.00 0.18 C ATOM 1576 O PHE A 100 6.478 -0.155 -7.081 1.00 0.21 O ATOM 1577 CB PHE A 100 4.437 -2.639 -7.077 1.00 0.38 C ATOM 1578 CG PHE A 100 4.988 -3.062 -5.742 1.00 1.36 C ATOM 1579 CD1 PHE A 100 5.169 -2.136 -4.730 1.00 1.99 C ATOM 1580 CD2 PHE A 100 5.317 -4.384 -5.498 1.00 2.09 C ATOM 1581 CE1 PHE A 100 5.671 -2.518 -3.505 1.00 2.95 C ATOM 1582 CE2 PHE A 100 5.820 -4.772 -4.271 1.00 3.08 C ATOM 1583 CZ PHE A 100 5.997 -3.838 -3.273 1.00 3.43 C ATOM 0 H PHE A 100 5.887 -4.083 -8.567 1.00 0.18 H new ATOM 0 HA PHE A 100 4.959 -1.375 -8.707 1.00 0.23 H new ATOM 0 HB2 PHE A 100 3.673 -1.879 -6.914 1.00 0.38 H new ATOM 0 HB3 PHE A 100 3.943 -3.495 -7.537 1.00 0.38 H new ATOM 0 HD1 PHE A 100 4.914 -1.101 -4.902 1.00 1.99 H new ATOM 0 HD2 PHE A 100 5.179 -5.121 -6.276 1.00 2.09 H new ATOM 0 HE1 PHE A 100 5.809 -1.783 -2.726 1.00 2.95 H new ATOM 0 HE2 PHE A 100 6.074 -5.807 -4.094 1.00 3.08 H new ATOM 0 HZ PHE A 100 6.390 -4.139 -2.313 1.00 3.43 H new ATOM 1593 N LEU A 101 7.681 -2.054 -7.037 1.00 0.18 N ATOM 1594 CA LEU A 101 8.801 -1.433 -6.346 1.00 0.21 C ATOM 1595 C LEU A 101 9.602 -0.566 -7.296 1.00 0.20 C ATOM 1596 O LEU A 101 9.927 0.572 -6.972 1.00 0.21 O ATOM 1597 CB LEU A 101 9.711 -2.490 -5.712 1.00 0.28 C ATOM 1598 CG LEU A 101 10.825 -1.975 -4.774 1.00 0.35 C ATOM 1599 CD1 LEU A 101 10.489 -0.613 -4.174 1.00 0.92 C ATOM 1600 CD2 LEU A 101 11.049 -2.998 -3.672 1.00 0.92 C ATOM 0 H LEU A 101 7.808 -3.042 -7.258 1.00 0.18 H new ATOM 0 HA LEU A 101 8.394 -0.805 -5.553 1.00 0.21 H new ATOM 0 HB2 LEU A 101 9.086 -3.183 -5.149 1.00 0.28 H new ATOM 0 HB3 LEU A 101 10.179 -3.061 -6.514 1.00 0.28 H new ATOM 0 HG LEU A 101 11.735 -1.845 -5.360 1.00 0.35 H new ATOM 0 HD11 LEU A 101 11.301 -0.292 -3.522 1.00 0.92 H new ATOM 0 HD12 LEU A 101 10.357 0.115 -4.975 1.00 0.92 H new ATOM 0 HD13 LEU A 101 9.568 -0.687 -3.596 1.00 0.92 H new ATOM 0 HD21 LEU A 101 11.834 -2.646 -3.003 1.00 0.92 H new ATOM 0 HD22 LEU A 101 10.126 -3.134 -3.109 1.00 0.92 H new ATOM 0 HD23 LEU A 101 11.348 -3.949 -4.113 1.00 0.92 H new ATOM 1612 N LYS A 102 9.909 -1.087 -8.478 1.00 0.20 N ATOM 1613 CA LYS A 102 10.690 -0.316 -9.426 1.00 0.23 C ATOM 1614 C LYS A 102 9.868 0.814 -10.017 1.00 0.22 C ATOM 1615 O LYS A 102 10.422 1.821 -10.445 1.00 0.26 O ATOM 1616 CB LYS A 102 11.261 -1.206 -10.534 1.00 0.27 C ATOM 1617 CG LYS A 102 12.324 -2.195 -10.060 1.00 0.28 C ATOM 1618 CD LYS A 102 13.340 -1.558 -9.114 1.00 0.33 C ATOM 1619 CE LYS A 102 13.961 -0.299 -9.704 1.00 1.44 C ATOM 1620 NZ LYS A 102 14.619 -0.559 -11.013 1.00 2.40 N ATOM 0 H LYS A 102 9.635 -2.017 -8.794 1.00 0.20 H new ATOM 0 HA LYS A 102 11.528 0.120 -8.882 1.00 0.23 H new ATOM 0 HB2 LYS A 102 10.444 -1.762 -10.995 1.00 0.27 H new ATOM 0 HB3 LYS A 102 11.692 -0.571 -11.308 1.00 0.27 H new ATOM 0 HG2 LYS A 102 11.838 -3.031 -9.556 1.00 0.28 H new ATOM 0 HG3 LYS A 102 12.846 -2.604 -10.925 1.00 0.28 H new ATOM 0 HD2 LYS A 102 12.852 -1.313 -8.170 1.00 0.33 H new ATOM 0 HD3 LYS A 102 14.126 -2.278 -8.889 1.00 0.33 H new ATOM 0 HE2 LYS A 102 13.189 0.460 -9.831 1.00 1.44 H new ATOM 0 HE3 LYS A 102 14.693 0.105 -9.005 1.00 1.44 H new ATOM 0 HZ1 LYS A 102 15.129 0.294 -11.321 1.00 2.40 H new ATOM 0 HZ2 LYS A 102 15.291 -1.347 -10.913 1.00 2.40 H new ATOM 0 HZ3 LYS A 102 13.898 -0.806 -11.721 1.00 2.40 H new ATOM 1634 N ALA A 103 8.550 0.654 -10.036 1.00 0.19 N ATOM 1635 CA ALA A 103 7.686 1.695 -10.569 1.00 0.21 C ATOM 1636 C ALA A 103 7.455 2.787 -9.537 1.00 0.18 C ATOM 1637 O ALA A 103 7.532 3.977 -9.853 1.00 0.20 O ATOM 1638 CB ALA A 103 6.361 1.117 -11.040 1.00 0.24 C ATOM 0 H ALA A 103 8.064 -0.175 -9.693 1.00 0.19 H new ATOM 0 HA ALA A 103 8.188 2.137 -11.430 1.00 0.21 H new ATOM 0 HB1 ALA A 103 5.734 1.917 -11.434 1.00 0.24 H new ATOM 0 HB2 ALA A 103 6.543 0.380 -11.822 1.00 0.24 H new ATOM 0 HB3 ALA A 103 5.854 0.638 -10.202 1.00 0.24 H new ATOM 1644 N LEU A 104 7.186 2.391 -8.298 1.00 0.16 N ATOM 1645 CA LEU A 104 6.954 3.368 -7.252 1.00 0.16 C ATOM 1646 C LEU A 104 8.237 4.138 -6.982 1.00 0.16 C ATOM 1647 O LEU A 104 8.219 5.352 -6.781 1.00 0.16 O ATOM 1648 CB LEU A 104 6.444 2.696 -5.966 1.00 0.19 C ATOM 1649 CG LEU A 104 7.464 1.842 -5.193 1.00 0.19 C ATOM 1650 CD1 LEU A 104 8.337 2.703 -4.296 1.00 0.23 C ATOM 1651 CD2 LEU A 104 6.749 0.792 -4.361 1.00 0.24 C ATOM 0 H LEU A 104 7.125 1.417 -8.001 1.00 0.16 H new ATOM 0 HA LEU A 104 6.183 4.061 -7.587 1.00 0.16 H new ATOM 0 HB2 LEU A 104 6.072 3.473 -5.298 1.00 0.19 H new ATOM 0 HB3 LEU A 104 5.594 2.064 -6.224 1.00 0.19 H new ATOM 0 HG LEU A 104 8.106 1.348 -5.923 1.00 0.19 H new ATOM 0 HD11 LEU A 104 9.047 2.070 -3.763 1.00 0.23 H new ATOM 0 HD12 LEU A 104 8.880 3.427 -4.903 1.00 0.23 H new ATOM 0 HD13 LEU A 104 7.711 3.231 -3.577 1.00 0.23 H new ATOM 0 HD21 LEU A 104 7.483 0.195 -3.820 1.00 0.24 H new ATOM 0 HD22 LEU A 104 6.084 1.282 -3.650 1.00 0.24 H new ATOM 0 HD23 LEU A 104 6.166 0.144 -5.016 1.00 0.24 H new ATOM 1663 N GLN A 105 9.356 3.420 -7.006 1.00 0.18 N ATOM 1664 CA GLN A 105 10.651 4.021 -6.751 1.00 0.22 C ATOM 1665 C GLN A 105 11.096 4.878 -7.924 1.00 0.24 C ATOM 1666 O GLN A 105 11.525 6.018 -7.731 1.00 0.26 O ATOM 1667 CB GLN A 105 11.663 2.933 -6.405 1.00 0.27 C ATOM 1668 CG GLN A 105 13.082 3.223 -6.838 1.00 0.35 C ATOM 1669 CD GLN A 105 13.985 2.006 -6.742 1.00 1.13 C ATOM 1670 OE1 GLN A 105 15.189 2.128 -6.525 1.00 1.76 O ATOM 1671 NE2 GLN A 105 13.404 0.821 -6.901 1.00 1.92 N ATOM 0 H GLN A 105 9.387 2.419 -7.200 1.00 0.18 H new ATOM 0 HA GLN A 105 10.576 4.691 -5.894 1.00 0.22 H new ATOM 0 HB2 GLN A 105 11.652 2.777 -5.326 1.00 0.27 H new ATOM 0 HB3 GLN A 105 11.342 1.999 -6.865 1.00 0.27 H new ATOM 0 HG2 GLN A 105 13.077 3.586 -7.866 1.00 0.35 H new ATOM 0 HG3 GLN A 105 13.490 4.023 -6.220 1.00 0.35 H new ATOM 0 HE21 GLN A 105 12.401 0.764 -7.080 1.00 1.92 H new ATOM 0 HE22 GLN A 105 13.961 -0.032 -6.844 1.00 1.92 H new ATOM 1680 N GLU A 106 11.000 4.349 -9.143 1.00 0.25 N ATOM 1681 CA GLU A 106 11.369 5.143 -10.299 1.00 0.29 C ATOM 1682 C GLU A 106 10.544 6.416 -10.262 1.00 0.29 C ATOM 1683 O GLU A 106 10.995 7.480 -10.675 1.00 0.35 O ATOM 1684 CB GLU A 106 11.125 4.393 -11.608 1.00 0.31 C ATOM 1685 CG GLU A 106 9.657 4.199 -11.917 1.00 0.29 C ATOM 1686 CD GLU A 106 9.421 3.538 -13.261 1.00 0.33 C ATOM 1687 OE1 GLU A 106 9.501 2.294 -13.334 1.00 0.31 O ATOM 1688 OE2 GLU A 106 9.155 4.266 -14.242 1.00 0.41 O ATOM 0 H GLU A 106 10.679 3.402 -9.347 1.00 0.25 H new ATOM 0 HA GLU A 106 12.435 5.365 -10.260 1.00 0.29 H new ATOM 0 HB2 GLU A 106 11.593 4.941 -12.426 1.00 0.31 H new ATOM 0 HB3 GLU A 106 11.611 3.419 -11.557 1.00 0.31 H new ATOM 0 HG2 GLU A 106 9.203 3.592 -11.134 1.00 0.29 H new ATOM 0 HG3 GLU A 106 9.156 5.167 -11.900 1.00 0.29 H new ATOM 1695 N LYS A 107 9.321 6.288 -9.742 1.00 0.23 N ATOM 1696 CA LYS A 107 8.428 7.424 -9.611 1.00 0.23 C ATOM 1697 C LYS A 107 9.030 8.447 -8.654 1.00 0.24 C ATOM 1698 O LYS A 107 9.079 9.638 -8.960 1.00 0.30 O ATOM 1699 CB LYS A 107 7.069 6.959 -9.096 1.00 0.22 C ATOM 1700 CG LYS A 107 5.995 8.033 -9.118 1.00 0.62 C ATOM 1701 CD LYS A 107 5.012 7.877 -7.963 1.00 1.05 C ATOM 1702 CE LYS A 107 4.590 6.427 -7.765 1.00 1.11 C ATOM 1703 NZ LYS A 107 4.163 5.791 -9.044 1.00 2.14 N ATOM 0 H LYS A 107 8.934 5.406 -9.407 1.00 0.23 H new ATOM 0 HA LYS A 107 8.294 7.889 -10.588 1.00 0.23 H new ATOM 0 HB2 LYS A 107 6.735 6.114 -9.698 1.00 0.22 H new ATOM 0 HB3 LYS A 107 7.184 6.597 -8.074 1.00 0.22 H new ATOM 0 HG2 LYS A 107 6.463 9.016 -9.066 1.00 0.62 H new ATOM 0 HG3 LYS A 107 5.455 7.987 -10.064 1.00 0.62 H new ATOM 0 HD2 LYS A 107 5.468 8.250 -7.046 1.00 1.05 H new ATOM 0 HD3 LYS A 107 4.130 8.489 -8.152 1.00 1.05 H new ATOM 0 HE2 LYS A 107 5.419 5.863 -7.339 1.00 1.11 H new ATOM 0 HE3 LYS A 107 3.771 6.382 -7.047 1.00 1.11 H new ATOM 0 HZ1 LYS A 107 3.313 5.215 -8.878 1.00 2.14 H new ATOM 0 HZ2 LYS A 107 3.950 6.529 -9.745 1.00 2.14 H new ATOM 0 HZ3 LYS A 107 4.928 5.184 -9.402 1.00 2.14 H new ATOM 1717 N VAL A 108 9.483 7.979 -7.483 1.00 0.22 N ATOM 1718 CA VAL A 108 10.097 8.875 -6.505 1.00 0.26 C ATOM 1719 C VAL A 108 11.311 9.564 -7.125 1.00 0.33 C ATOM 1720 O VAL A 108 11.690 10.661 -6.719 1.00 0.40 O ATOM 1721 CB VAL A 108 10.526 8.146 -5.200 1.00 0.26 C ATOM 1722 CG1 VAL A 108 9.612 6.980 -4.891 1.00 0.22 C ATOM 1723 CG2 VAL A 108 11.981 7.698 -5.259 1.00 0.28 C ATOM 0 H VAL A 108 9.436 7.001 -7.197 1.00 0.22 H new ATOM 0 HA VAL A 108 9.340 9.609 -6.230 1.00 0.26 H new ATOM 0 HB VAL A 108 10.435 8.866 -4.386 1.00 0.26 H new ATOM 0 HG11 VAL A 108 9.941 6.493 -3.973 1.00 0.22 H new ATOM 0 HG12 VAL A 108 8.591 7.341 -4.765 1.00 0.22 H new ATOM 0 HG13 VAL A 108 9.645 6.264 -5.713 1.00 0.22 H new ATOM 0 HG21 VAL A 108 12.244 7.193 -4.330 1.00 0.28 H new ATOM 0 HG22 VAL A 108 12.117 7.013 -6.096 1.00 0.28 H new ATOM 0 HG23 VAL A 108 12.624 8.568 -5.394 1.00 0.28 H new ATOM 1733 N GLU A 109 11.921 8.897 -8.105 1.00 0.38 N ATOM 1734 CA GLU A 109 13.082 9.444 -8.801 1.00 0.48 C ATOM 1735 C GLU A 109 12.664 10.584 -9.726 1.00 0.45 C ATOM 1736 O GLU A 109 13.205 11.689 -9.653 1.00 0.45 O ATOM 1737 CB GLU A 109 13.779 8.350 -9.613 1.00 0.62 C ATOM 1738 CG GLU A 109 15.034 8.822 -10.326 1.00 1.29 C ATOM 1739 CD GLU A 109 16.090 9.342 -9.371 1.00 1.62 C ATOM 1740 OE1 GLU A 109 16.073 10.555 -9.070 1.00 2.41 O ATOM 1741 OE2 GLU A 109 16.935 8.538 -8.924 1.00 1.75 O ATOM 0 H GLU A 109 11.629 7.977 -8.434 1.00 0.38 H new ATOM 0 HA GLU A 109 13.776 9.831 -8.055 1.00 0.48 H new ATOM 0 HB2 GLU A 109 14.038 7.526 -8.948 1.00 0.62 H new ATOM 0 HB3 GLU A 109 13.080 7.956 -10.350 1.00 0.62 H new ATOM 0 HG2 GLU A 109 15.449 7.998 -10.906 1.00 1.29 H new ATOM 0 HG3 GLU A 109 14.771 9.609 -11.033 1.00 1.29 H new ATOM 1748 N ILE A 110 11.695 10.302 -10.593 1.00 0.44 N ATOM 1749 CA ILE A 110 11.186 11.292 -11.538 1.00 0.42 C ATOM 1750 C ILE A 110 10.708 12.544 -10.808 1.00 0.39 C ATOM 1751 O ILE A 110 11.058 13.666 -11.176 1.00 0.45 O ATOM 1752 CB ILE A 110 10.026 10.705 -12.378 1.00 0.42 C ATOM 1753 CG1 ILE A 110 10.560 9.917 -13.579 1.00 0.51 C ATOM 1754 CG2 ILE A 110 9.081 11.802 -12.851 1.00 0.42 C ATOM 1755 CD1 ILE A 110 11.525 8.807 -13.223 1.00 0.55 C ATOM 0 H ILE A 110 11.244 9.390 -10.660 1.00 0.44 H new ATOM 0 HA ILE A 110 12.004 11.563 -12.206 1.00 0.42 H new ATOM 0 HB ILE A 110 9.469 10.023 -11.735 1.00 0.42 H new ATOM 0 HG12 ILE A 110 9.717 9.488 -14.120 1.00 0.51 H new ATOM 0 HG13 ILE A 110 11.057 10.609 -14.259 1.00 0.51 H new ATOM 0 HG21 ILE A 110 8.276 11.360 -13.439 1.00 0.42 H new ATOM 0 HG22 ILE A 110 8.660 12.317 -11.987 1.00 0.42 H new ATOM 0 HG23 ILE A 110 9.630 12.515 -13.466 1.00 0.42 H new ATOM 0 HD11 ILE A 110 11.852 8.303 -14.133 1.00 0.55 H new ATOM 0 HD12 ILE A 110 12.390 9.228 -12.710 1.00 0.55 H new ATOM 0 HD13 ILE A 110 11.029 8.090 -12.569 1.00 0.55 H new ATOM 1767 N LYS A 111 9.904 12.338 -9.772 1.00 0.36 N ATOM 1768 CA LYS A 111 9.374 13.438 -8.977 1.00 0.37 C ATOM 1769 C LYS A 111 10.115 13.558 -7.654 1.00 0.40 C ATOM 1770 O LYS A 111 11.218 13.036 -7.497 1.00 0.48 O ATOM 1771 CB LYS A 111 7.886 13.220 -8.701 1.00 0.39 C ATOM 1772 CG LYS A 111 6.972 13.724 -9.804 1.00 0.51 C ATOM 1773 CD LYS A 111 5.640 14.194 -9.243 1.00 0.65 C ATOM 1774 CE LYS A 111 4.819 13.035 -8.698 1.00 0.67 C ATOM 1775 NZ LYS A 111 3.482 13.480 -8.216 1.00 1.28 N ATOM 0 H LYS A 111 9.604 11.414 -9.462 1.00 0.36 H new ATOM 0 HA LYS A 111 9.511 14.358 -9.544 1.00 0.37 H new ATOM 0 HB2 LYS A 111 7.707 12.155 -8.553 1.00 0.39 H new ATOM 0 HB3 LYS A 111 7.623 13.720 -7.769 1.00 0.39 H new ATOM 0 HG2 LYS A 111 7.456 14.544 -10.334 1.00 0.51 H new ATOM 0 HG3 LYS A 111 6.803 12.930 -10.531 1.00 0.51 H new ATOM 0 HD2 LYS A 111 5.815 14.921 -8.450 1.00 0.65 H new ATOM 0 HD3 LYS A 111 5.076 14.704 -10.024 1.00 0.65 H new ATOM 0 HE2 LYS A 111 4.692 12.282 -9.476 1.00 0.67 H new ATOM 0 HE3 LYS A 111 5.360 12.560 -7.880 1.00 0.67 H new ATOM 0 HZ1 LYS A 111 3.022 12.702 -7.701 1.00 1.28 H new ATOM 0 HZ2 LYS A 111 3.596 14.296 -7.581 1.00 1.28 H new ATOM 0 HZ3 LYS A 111 2.893 13.753 -9.029 1.00 1.28 H new ATOM 1789 N GLN A 112 9.504 14.259 -6.709 1.00 0.43 N ATOM 1790 CA GLN A 112 10.087 14.430 -5.389 1.00 0.56 C ATOM 1791 C GLN A 112 9.769 13.223 -4.527 1.00 0.65 C ATOM 1792 O GLN A 112 10.090 12.093 -4.898 1.00 1.51 O ATOM 1793 CB GLN A 112 9.565 15.717 -4.745 1.00 0.66 C ATOM 1794 CG GLN A 112 10.165 16.985 -5.329 1.00 0.69 C ATOM 1795 CD GLN A 112 11.605 17.204 -4.906 1.00 1.29 C ATOM 1796 OE1 GLN A 112 12.351 16.251 -4.676 1.00 2.15 O ATOM 1797 NE2 GLN A 112 12.003 18.465 -4.795 1.00 2.03 N ATOM 0 H GLN A 112 8.602 14.719 -6.834 1.00 0.43 H new ATOM 0 HA GLN A 112 11.170 14.513 -5.481 1.00 0.56 H new ATOM 0 HB2 GLN A 112 8.481 15.754 -4.857 1.00 0.66 H new ATOM 0 HB3 GLN A 112 9.774 15.687 -3.676 1.00 0.66 H new ATOM 0 HG2 GLN A 112 10.114 16.938 -6.417 1.00 0.69 H new ATOM 0 HG3 GLN A 112 9.566 17.841 -5.019 1.00 0.69 H new ATOM 0 HE21 GLN A 112 11.352 19.225 -4.995 1.00 2.03 H new ATOM 0 HE22 GLN A 112 12.960 18.675 -4.510 1.00 2.03 H new ATOM 1806 N LEU A 113 9.154 13.457 -3.372 1.00 0.37 N ATOM 1807 CA LEU A 113 8.766 12.371 -2.493 1.00 0.29 C ATOM 1808 C LEU A 113 9.974 11.602 -1.984 1.00 0.30 C ATOM 1809 O LEU A 113 9.838 10.478 -1.504 1.00 0.44 O ATOM 1810 CB LEU A 113 7.837 11.421 -3.234 1.00 0.24 C ATOM 1811 CG LEU A 113 6.499 12.019 -3.654 1.00 0.21 C ATOM 1812 CD1 LEU A 113 5.717 12.476 -2.431 1.00 0.21 C ATOM 1813 CD2 LEU A 113 6.672 13.169 -4.638 1.00 0.36 C ATOM 0 H LEU A 113 8.916 14.387 -3.028 1.00 0.37 H new ATOM 0 HA LEU A 113 8.254 12.803 -1.633 1.00 0.29 H new ATOM 0 HB2 LEU A 113 8.350 11.057 -4.124 1.00 0.24 H new ATOM 0 HB3 LEU A 113 7.647 10.555 -2.600 1.00 0.24 H new ATOM 0 HG LEU A 113 5.936 11.238 -4.165 1.00 0.21 H new ATOM 0 HD11 LEU A 113 4.764 12.901 -2.746 1.00 0.21 H new ATOM 0 HD12 LEU A 113 5.536 11.624 -1.776 1.00 0.21 H new ATOM 0 HD13 LEU A 113 6.291 13.231 -1.894 1.00 0.21 H new ATOM 0 HD21 LEU A 113 5.694 13.565 -4.910 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.267 13.957 -4.176 1.00 0.36 H new ATOM 0 HD23 LEU A 113 7.180 12.809 -5.533 1.00 0.36 H new ATOM 1825 N ASN A 114 11.151 12.199 -2.095 1.00 0.19 N ATOM 1826 CA ASN A 114 12.364 11.542 -1.636 1.00 0.18 C ATOM 1827 C ASN A 114 12.194 11.084 -0.194 1.00 0.16 C ATOM 1828 O ASN A 114 12.760 10.072 0.210 1.00 0.18 O ATOM 1829 CB ASN A 114 13.572 12.471 -1.762 1.00 0.20 C ATOM 1830 CG ASN A 114 13.751 13.009 -3.169 1.00 0.27 C ATOM 1831 OD1 ASN A 114 12.783 13.180 -3.911 1.00 1.10 O ATOM 1832 ND2 ASN A 114 14.995 13.279 -3.545 1.00 1.22 N ATOM 0 H ASN A 114 11.291 13.127 -2.494 1.00 0.19 H new ATOM 0 HA ASN A 114 12.543 10.671 -2.266 1.00 0.18 H new ATOM 0 HB2 ASN A 114 13.458 13.305 -1.070 1.00 0.20 H new ATOM 0 HB3 ASN A 114 14.472 11.932 -1.466 1.00 0.20 H new ATOM 0 HD21 ASN A 114 15.178 13.643 -4.480 1.00 1.22 H new ATOM 0 HD22 ASN A 114 15.768 13.123 -2.899 1.00 1.22 H new ATOM 1839 N HIS A 115 11.402 11.836 0.574 1.00 0.16 N ATOM 1840 CA HIS A 115 11.133 11.489 1.966 1.00 0.14 C ATOM 1841 C HIS A 115 10.528 10.094 2.034 1.00 0.13 C ATOM 1842 O HIS A 115 10.910 9.271 2.873 1.00 0.12 O ATOM 1843 CB HIS A 115 10.184 12.507 2.597 1.00 0.15 C ATOM 1844 CG HIS A 115 10.700 13.911 2.559 1.00 0.28 C ATOM 1845 ND1 HIS A 115 10.461 14.774 1.509 1.00 1.33 N ATOM 1846 CD2 HIS A 115 11.445 14.606 3.451 1.00 0.92 C ATOM 1847 CE1 HIS A 115 11.038 15.937 1.756 1.00 1.14 C ATOM 1848 NE2 HIS A 115 11.640 15.861 2.929 1.00 0.51 N ATOM 0 H HIS A 115 10.938 12.686 0.254 1.00 0.16 H new ATOM 0 HA HIS A 115 12.070 11.503 2.523 1.00 0.14 H new ATOM 0 HB2 HIS A 115 9.225 12.467 2.080 1.00 0.15 H new ATOM 0 HB3 HIS A 115 9.999 12.225 3.633 1.00 0.15 H new ATOM 0 HD2 HIS A 115 11.817 14.241 4.397 1.00 0.92 H new ATOM 0 HE1 HIS A 115 11.020 16.802 1.109 1.00 1.14 H new ATOM 0 HE2 HIS A 115 12.165 16.613 3.375 1.00 0.51 H new ATOM 1857 N PHE A 116 9.566 9.837 1.153 1.00 0.13 N ATOM 1858 CA PHE A 116 8.949 8.527 1.086 1.00 0.13 C ATOM 1859 C PHE A 116 10.054 7.498 0.925 1.00 0.12 C ATOM 1860 O PHE A 116 10.165 6.554 1.707 1.00 0.16 O ATOM 1861 CB PHE A 116 7.956 8.456 -0.082 1.00 0.15 C ATOM 1862 CG PHE A 116 7.647 7.059 -0.550 1.00 0.11 C ATOM 1863 CD1 PHE A 116 7.289 6.078 0.360 1.00 0.73 C ATOM 1864 CD2 PHE A 116 7.713 6.727 -1.895 1.00 0.73 C ATOM 1865 CE1 PHE A 116 7.004 4.794 -0.060 1.00 0.72 C ATOM 1866 CE2 PHE A 116 7.428 5.445 -2.320 1.00 0.77 C ATOM 1867 CZ PHE A 116 7.083 4.484 -1.428 1.00 0.21 C ATOM 0 H PHE A 116 9.203 10.515 0.483 1.00 0.13 H new ATOM 0 HA PHE A 116 8.386 8.327 1.998 1.00 0.13 H new ATOM 0 HB2 PHE A 116 7.026 8.940 0.217 1.00 0.15 H new ATOM 0 HB3 PHE A 116 8.357 9.027 -0.920 1.00 0.15 H new ATOM 0 HD1 PHE A 116 7.232 6.320 1.411 1.00 0.73 H new ATOM 0 HD2 PHE A 116 7.990 7.480 -2.618 1.00 0.73 H new ATOM 0 HE1 PHE A 116 6.723 4.036 0.656 1.00 0.72 H new ATOM 0 HE2 PHE A 116 7.480 5.205 -3.372 1.00 0.77 H new ATOM 0 HZ PHE A 116 6.869 3.482 -1.769 1.00 0.21 H new ATOM 1877 N TRP A 117 10.893 7.717 -0.080 1.00 0.14 N ATOM 1878 CA TRP A 117 12.018 6.837 -0.328 1.00 0.15 C ATOM 1879 C TRP A 117 12.812 6.650 0.959 1.00 0.15 C ATOM 1880 O TRP A 117 13.204 5.536 1.293 1.00 0.19 O ATOM 1881 CB TRP A 117 12.907 7.411 -1.438 1.00 0.19 C ATOM 1882 CG TRP A 117 14.241 6.734 -1.555 1.00 0.33 C ATOM 1883 CD1 TRP A 117 15.431 7.177 -1.057 1.00 0.47 C ATOM 1884 CD2 TRP A 117 14.520 5.493 -2.217 1.00 0.50 C ATOM 1885 NE1 TRP A 117 16.432 6.291 -1.366 1.00 0.60 N ATOM 1886 CE2 TRP A 117 15.899 5.249 -2.077 1.00 0.61 C ATOM 1887 CE3 TRP A 117 13.739 4.565 -2.911 1.00 0.67 C ATOM 1888 CZ2 TRP A 117 16.513 4.115 -2.607 1.00 0.80 C ATOM 1889 CZ3 TRP A 117 14.350 3.442 -3.436 1.00 0.88 C ATOM 1890 CH2 TRP A 117 15.725 3.226 -3.282 1.00 0.92 C ATOM 0 H TRP A 117 10.812 8.496 -0.733 1.00 0.14 H new ATOM 0 HA TRP A 117 11.651 5.865 -0.658 1.00 0.15 H new ATOM 0 HB2 TRP A 117 12.383 7.328 -2.390 1.00 0.19 H new ATOM 0 HB3 TRP A 117 13.064 8.474 -1.252 1.00 0.19 H new ATOM 0 HD1 TRP A 117 15.566 8.093 -0.500 1.00 0.47 H new ATOM 0 HE1 TRP A 117 17.414 6.392 -1.108 1.00 0.60 H new ATOM 0 HE3 TRP A 117 12.678 4.722 -3.035 1.00 0.67 H new ATOM 0 HZ2 TRP A 117 17.573 3.945 -2.488 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 13.756 2.718 -3.975 1.00 0.88 H new ATOM 0 HH2 TRP A 117 16.172 2.339 -3.705 1.00 0.92 H new ATOM 1901 N GLU A 118 13.000 7.748 1.699 1.00 0.14 N ATOM 1902 CA GLU A 118 13.749 7.716 2.954 1.00 0.15 C ATOM 1903 C GLU A 118 13.200 6.655 3.903 1.00 0.14 C ATOM 1904 O GLU A 118 13.938 5.769 4.337 1.00 0.17 O ATOM 1905 CB GLU A 118 13.724 9.081 3.653 1.00 0.17 C ATOM 1906 CG GLU A 118 14.338 10.210 2.842 1.00 0.20 C ATOM 1907 CD GLU A 118 15.746 9.896 2.376 1.00 0.27 C ATOM 1908 OE1 GLU A 118 16.695 10.156 3.144 1.00 0.86 O ATOM 1909 OE2 GLU A 118 15.896 9.392 1.244 1.00 0.64 O ATOM 0 H GLU A 118 12.642 8.670 1.448 1.00 0.14 H new ATOM 0 HA GLU A 118 14.779 7.465 2.700 1.00 0.15 H new ATOM 0 HB2 GLU A 118 12.691 9.338 3.887 1.00 0.17 H new ATOM 0 HB3 GLU A 118 14.255 9.000 4.602 1.00 0.17 H new ATOM 0 HG2 GLU A 118 13.709 10.413 1.975 1.00 0.20 H new ATOM 0 HG3 GLU A 118 14.353 11.118 3.444 1.00 0.20 H new ATOM 1916 N ILE A 119 11.908 6.734 4.229 1.00 0.11 N ATOM 1917 CA ILE A 119 11.327 5.752 5.143 1.00 0.13 C ATOM 1918 C ILE A 119 11.462 4.343 4.585 1.00 0.14 C ATOM 1919 O ILE A 119 11.685 3.398 5.342 1.00 0.19 O ATOM 1920 CB ILE A 119 9.854 6.042 5.494 1.00 0.15 C ATOM 1921 CG1 ILE A 119 8.959 5.920 4.261 1.00 0.10 C ATOM 1922 CG2 ILE A 119 9.727 7.421 6.125 1.00 0.22 C ATOM 1923 CD1 ILE A 119 7.518 6.296 4.516 1.00 0.14 C ATOM 0 H ILE A 119 11.262 7.445 3.886 1.00 0.11 H new ATOM 0 HA ILE A 119 11.896 5.832 6.069 1.00 0.13 H new ATOM 0 HB ILE A 119 9.520 5.298 6.217 1.00 0.15 H new ATOM 0 HG12 ILE A 119 9.357 6.556 3.470 1.00 0.10 H new ATOM 0 HG13 ILE A 119 8.998 4.894 3.895 1.00 0.10 H new ATOM 0 HG21 ILE A 119 8.682 7.615 6.369 1.00 0.22 H new ATOM 0 HG22 ILE A 119 10.325 7.461 7.035 1.00 0.22 H new ATOM 0 HG23 ILE A 119 10.082 8.176 5.424 1.00 0.22 H new ATOM 0 HD11 ILE A 119 6.945 6.185 3.596 1.00 0.14 H new ATOM 0 HD12 ILE A 119 7.102 5.644 5.284 1.00 0.14 H new ATOM 0 HD13 ILE A 119 7.466 7.331 4.853 1.00 0.14 H new ATOM 1935 N VAL A 120 11.338 4.185 3.264 1.00 0.13 N ATOM 1936 CA VAL A 120 11.488 2.855 2.683 1.00 0.20 C ATOM 1937 C VAL A 120 12.909 2.340 2.933 1.00 0.21 C ATOM 1938 O VAL A 120 13.108 1.145 3.133 1.00 0.25 O ATOM 1939 CB VAL A 120 11.136 2.781 1.173 1.00 0.29 C ATOM 1940 CG1 VAL A 120 10.415 4.025 0.704 1.00 0.82 C ATOM 1941 CG2 VAL A 120 12.367 2.526 0.328 1.00 0.76 C ATOM 0 H VAL A 120 11.141 4.934 2.600 1.00 0.13 H new ATOM 0 HA VAL A 120 10.762 2.214 3.183 1.00 0.20 H new ATOM 0 HB VAL A 120 10.459 1.936 1.047 1.00 0.29 H new ATOM 0 HG11 VAL A 120 10.186 3.934 -0.358 1.00 0.82 H new ATOM 0 HG12 VAL A 120 9.489 4.142 1.266 1.00 0.82 H new ATOM 0 HG13 VAL A 120 11.050 4.896 0.865 1.00 0.82 H new ATOM 0 HG21 VAL A 120 12.083 2.480 -0.723 1.00 0.76 H new ATOM 0 HG22 VAL A 120 13.084 3.334 0.476 1.00 0.76 H new ATOM 0 HG23 VAL A 120 12.821 1.580 0.623 1.00 0.76 H new ATOM 1951 N VAL A 121 13.902 3.245 2.923 1.00 0.20 N ATOM 1952 CA VAL A 121 15.281 2.836 3.200 1.00 0.24 C ATOM 1953 C VAL A 121 15.380 2.428 4.662 1.00 0.26 C ATOM 1954 O VAL A 121 16.098 1.494 5.022 1.00 0.31 O ATOM 1955 CB VAL A 121 16.331 3.944 2.902 1.00 0.25 C ATOM 1956 CG1 VAL A 121 15.810 4.946 1.893 1.00 0.24 C ATOM 1957 CG2 VAL A 121 16.778 4.649 4.173 1.00 0.26 C ATOM 0 H VAL A 121 13.778 4.239 2.731 1.00 0.20 H new ATOM 0 HA VAL A 121 15.512 2.005 2.533 1.00 0.24 H new ATOM 0 HB VAL A 121 17.200 3.449 2.469 1.00 0.25 H new ATOM 0 HG11 VAL A 121 16.570 5.706 1.709 1.00 0.24 H new ATOM 0 HG12 VAL A 121 15.575 4.434 0.960 1.00 0.24 H new ATOM 0 HG13 VAL A 121 14.910 5.421 2.283 1.00 0.24 H new ATOM 0 HG21 VAL A 121 17.511 5.416 3.925 1.00 0.26 H new ATOM 0 HG22 VAL A 121 15.917 5.112 4.654 1.00 0.26 H new ATOM 0 HG23 VAL A 121 17.227 3.924 4.852 1.00 0.26 H new ATOM 1967 N GLN A 122 14.639 3.151 5.494 1.00 0.25 N ATOM 1968 CA GLN A 122 14.594 2.892 6.922 1.00 0.30 C ATOM 1969 C GLN A 122 13.802 1.617 7.193 1.00 0.35 C ATOM 1970 O GLN A 122 13.930 1.000 8.252 1.00 0.44 O ATOM 1971 CB GLN A 122 13.959 4.092 7.633 1.00 0.29 C ATOM 1972 CG GLN A 122 13.586 3.824 9.078 1.00 0.44 C ATOM 1973 CD GLN A 122 13.326 5.096 9.862 1.00 1.27 C ATOM 1974 OE1 GLN A 122 12.892 6.105 9.304 1.00 1.92 O ATOM 1975 NE2 GLN A 122 13.593 5.056 11.162 1.00 2.12 N ATOM 0 H GLN A 122 14.054 3.931 5.195 1.00 0.25 H new ATOM 0 HA GLN A 122 15.605 2.752 7.305 1.00 0.30 H new ATOM 0 HB2 GLN A 122 14.653 4.932 7.597 1.00 0.29 H new ATOM 0 HB3 GLN A 122 13.065 4.394 7.087 1.00 0.29 H new ATOM 0 HG2 GLN A 122 12.696 3.195 9.108 1.00 0.44 H new ATOM 0 HG3 GLN A 122 14.389 3.264 9.558 1.00 0.44 H new ATOM 0 HE21 GLN A 122 13.951 4.199 11.583 1.00 2.12 H new ATOM 0 HE22 GLN A 122 13.440 5.882 11.740 1.00 2.12 H new ATOM 1984 N ASP A 123 12.987 1.230 6.217 1.00 0.31 N ATOM 1985 CA ASP A 123 12.164 0.031 6.326 1.00 0.37 C ATOM 1986 C ASP A 123 12.664 -1.074 5.396 1.00 0.40 C ATOM 1987 O ASP A 123 12.132 -2.186 5.405 1.00 0.45 O ATOM 1988 CB ASP A 123 10.709 0.370 5.991 1.00 0.35 C ATOM 1989 CG ASP A 123 10.018 1.128 7.109 1.00 0.39 C ATOM 1990 OD1 ASP A 123 9.484 0.472 8.028 1.00 0.86 O ATOM 1991 OD2 ASP A 123 10.009 2.375 7.066 1.00 0.71 O ATOM 0 H ASP A 123 12.879 1.733 5.336 1.00 0.31 H new ATOM 0 HA ASP A 123 12.231 -0.333 7.351 1.00 0.37 H new ATOM 0 HB2 ASP A 123 10.679 0.966 5.079 1.00 0.35 H new ATOM 0 HB3 ASP A 123 10.162 -0.551 5.788 1.00 0.35 H new ATOM 1996 N GLY A 124 13.686 -0.768 4.598 1.00 0.38 N ATOM 1997 CA GLY A 124 14.217 -1.751 3.666 1.00 0.43 C ATOM 1998 C GLY A 124 13.155 -2.207 2.690 1.00 0.44 C ATOM 1999 O GLY A 124 12.692 -3.347 2.751 1.00 0.55 O ATOM 0 H GLY A 124 14.154 0.138 4.580 1.00 0.38 H new ATOM 0 HA2 GLY A 124 15.057 -1.322 3.120 1.00 0.43 H new ATOM 0 HA3 GLY A 124 14.601 -2.609 4.218 1.00 0.43 H new ATOM 2003 N ILE A 125 12.771 -1.315 1.781 1.00 0.40 N ATOM 2004 CA ILE A 125 11.726 -1.611 0.809 1.00 0.44 C ATOM 2005 C ILE A 125 12.181 -1.351 -0.630 1.00 0.45 C ATOM 2006 O ILE A 125 11.550 -0.581 -1.353 1.00 0.48 O ATOM 2007 CB ILE A 125 10.479 -0.746 1.098 1.00 0.47 C ATOM 2008 CG1 ILE A 125 10.170 -0.729 2.600 1.00 0.58 C ATOM 2009 CG2 ILE A 125 9.274 -1.238 0.312 1.00 0.68 C ATOM 2010 CD1 ILE A 125 9.789 -2.083 3.165 1.00 0.49 C ATOM 0 H ILE A 125 13.170 -0.380 1.698 1.00 0.40 H new ATOM 0 HA ILE A 125 11.491 -2.671 0.906 1.00 0.44 H new ATOM 0 HB ILE A 125 10.697 0.272 0.776 1.00 0.47 H new ATOM 0 HG12 ILE A 125 11.042 -0.355 3.136 1.00 0.58 H new ATOM 0 HG13 ILE A 125 9.357 -0.027 2.786 1.00 0.58 H new ATOM 0 HG21 ILE A 125 8.412 -0.610 0.536 1.00 0.68 H new ATOM 0 HG22 ILE A 125 9.491 -1.189 -0.755 1.00 0.68 H new ATOM 0 HG23 ILE A 125 9.054 -2.269 0.591 1.00 0.68 H new ATOM 0 HD11 ILE A 125 9.586 -1.988 4.232 1.00 0.49 H new ATOM 0 HD12 ILE A 125 8.898 -2.451 2.657 1.00 0.49 H new ATOM 0 HD13 ILE A 125 10.609 -2.785 3.013 1.00 0.49 H new ATOM 2022 N THR A 126 13.282 -1.974 -1.050 1.00 0.45 N ATOM 2023 CA THR A 126 13.759 -1.790 -2.419 1.00 0.47 C ATOM 2024 C THR A 126 14.363 -3.068 -3.003 1.00 0.48 C ATOM 2025 O THR A 126 14.988 -3.856 -2.295 1.00 0.57 O ATOM 2026 CB THR A 126 14.774 -0.650 -2.534 1.00 0.49 C ATOM 2027 OG1 THR A 126 14.398 0.436 -1.676 1.00 0.55 O ATOM 2028 CG2 THR A 126 14.845 -0.166 -3.970 1.00 0.53 C ATOM 0 H THR A 126 13.849 -2.597 -0.476 1.00 0.45 H new ATOM 0 HA THR A 126 12.874 -1.528 -2.999 1.00 0.47 H new ATOM 0 HB THR A 126 15.753 -1.020 -2.229 1.00 0.49 H new ATOM 0 HG1 THR A 126 14.530 1.285 -2.147 1.00 0.55 H new ATOM 0 HG21 THR A 126 15.569 0.645 -4.045 1.00 0.53 H new ATOM 0 HG22 THR A 126 15.153 -0.988 -4.616 1.00 0.53 H new ATOM 0 HG23 THR A 126 13.864 0.193 -4.282 1.00 0.53 H new ATOM 2036 N LEU A 127 14.164 -3.240 -4.314 1.00 0.47 N ATOM 2037 CA LEU A 127 14.645 -4.402 -5.072 1.00 0.48 C ATOM 2038 C LEU A 127 14.167 -5.715 -4.450 1.00 0.46 C ATOM 2039 O LEU A 127 13.799 -5.764 -3.277 1.00 0.52 O ATOM 2040 CB LEU A 127 16.177 -4.396 -5.225 1.00 0.52 C ATOM 2041 CG LEU A 127 16.982 -5.131 -4.148 1.00 0.66 C ATOM 2042 CD1 LEU A 127 17.018 -6.624 -4.413 1.00 1.29 C ATOM 2043 CD2 LEU A 127 18.399 -4.612 -4.104 1.00 1.19 C ATOM 0 H LEU A 127 13.657 -2.566 -4.888 1.00 0.47 H new ATOM 0 HA LEU A 127 14.215 -4.325 -6.070 1.00 0.48 H new ATOM 0 HB2 LEU A 127 16.424 -4.835 -6.192 1.00 0.52 H new ATOM 0 HB3 LEU A 127 16.512 -3.359 -5.251 1.00 0.52 H new ATOM 0 HG LEU A 127 16.490 -4.950 -3.192 1.00 0.66 H new ATOM 0 HD11 LEU A 127 17.596 -7.118 -3.632 1.00 1.29 H new ATOM 0 HD12 LEU A 127 16.002 -7.018 -4.416 1.00 1.29 H new ATOM 0 HD13 LEU A 127 17.482 -6.811 -5.381 1.00 1.29 H new ATOM 0 HD21 LEU A 127 18.958 -5.144 -3.334 1.00 1.19 H new ATOM 0 HD22 LEU A 127 18.875 -4.770 -5.072 1.00 1.19 H new ATOM 0 HD23 LEU A 127 18.389 -3.547 -3.874 1.00 1.19 H new ATOM 2055 N ILE A 128 14.164 -6.784 -5.246 1.00 0.53 N ATOM 2056 CA ILE A 128 13.749 -8.088 -4.746 1.00 0.55 C ATOM 2057 C ILE A 128 14.839 -8.675 -3.873 1.00 0.69 C ATOM 2058 O ILE A 128 15.837 -9.205 -4.360 1.00 0.83 O ATOM 2059 CB ILE A 128 13.414 -9.059 -5.893 1.00 0.58 C ATOM 2060 CG1 ILE A 128 12.452 -8.396 -6.883 1.00 0.62 C ATOM 2061 CG2 ILE A 128 12.817 -10.345 -5.341 1.00 0.60 C ATOM 2062 CD1 ILE A 128 11.179 -7.884 -6.248 1.00 0.61 C ATOM 0 H ILE A 128 14.441 -6.771 -6.228 1.00 0.53 H new ATOM 0 HA ILE A 128 12.843 -7.946 -4.157 1.00 0.55 H new ATOM 0 HB ILE A 128 14.334 -9.309 -6.421 1.00 0.58 H new ATOM 0 HG12 ILE A 128 12.963 -7.566 -7.371 1.00 0.62 H new ATOM 0 HG13 ILE A 128 12.195 -9.114 -7.662 1.00 0.62 H new ATOM 0 HG21 ILE A 128 12.585 -11.021 -6.164 1.00 0.60 H new ATOM 0 HG22 ILE A 128 13.533 -10.821 -4.671 1.00 0.60 H new ATOM 0 HG23 ILE A 128 11.904 -10.116 -4.792 1.00 0.60 H new ATOM 0 HD11 ILE A 128 10.549 -7.428 -7.012 1.00 0.61 H new ATOM 0 HD12 ILE A 128 10.645 -8.713 -5.784 1.00 0.61 H new ATOM 0 HD13 ILE A 128 11.424 -7.141 -5.489 1.00 0.61 H new ATOM 2074 N THR A 129 14.612 -8.588 -2.571 1.00 0.78 N ATOM 2075 CA THR A 129 15.569 -9.044 -1.577 1.00 0.99 C ATOM 2076 C THR A 129 16.165 -10.404 -1.895 1.00 1.08 C ATOM 2077 O THR A 129 17.346 -10.639 -1.640 1.00 1.49 O ATOM 2078 CB THR A 129 14.934 -9.108 -0.182 1.00 1.12 C ATOM 2079 OG1 THR A 129 14.142 -10.294 -0.058 1.00 1.22 O ATOM 2080 CG2 THR A 129 14.065 -7.887 0.083 1.00 1.10 C ATOM 0 H THR A 129 13.757 -8.198 -2.174 1.00 0.78 H new ATOM 0 HA THR A 129 16.372 -8.307 -1.596 1.00 0.99 H new ATOM 0 HB THR A 129 15.739 -9.126 0.553 1.00 1.12 H new ATOM 0 HG1 THR A 129 13.742 -10.328 0.836 1.00 1.22 H new ATOM 0 HG21 THR A 129 13.628 -7.960 1.079 1.00 1.10 H new ATOM 0 HG22 THR A 129 14.675 -6.986 0.020 1.00 1.10 H new ATOM 0 HG23 THR A 129 13.269 -7.839 -0.660 1.00 1.10 H new ATOM 2088 N LYS A 130 15.362 -11.300 -2.442 1.00 1.16 N ATOM 2089 CA LYS A 130 15.850 -12.633 -2.749 1.00 1.25 C ATOM 2090 C LYS A 130 16.676 -12.659 -4.033 1.00 1.26 C ATOM 2091 O LYS A 130 17.884 -12.895 -3.986 1.00 1.46 O ATOM 2092 CB LYS A 130 14.692 -13.628 -2.830 1.00 1.15 C ATOM 2093 CG LYS A 130 13.643 -13.277 -3.870 1.00 0.88 C ATOM 2094 CD LYS A 130 12.252 -13.177 -3.264 1.00 0.89 C ATOM 2095 CE LYS A 130 11.883 -14.423 -2.475 1.00 1.17 C ATOM 2096 NZ LYS A 130 12.215 -15.665 -3.218 1.00 2.01 N ATOM 0 H LYS A 130 14.384 -11.133 -2.680 1.00 1.16 H new ATOM 0 HA LYS A 130 16.510 -12.931 -1.934 1.00 1.25 H new ATOM 0 HB2 LYS A 130 15.092 -14.617 -3.053 1.00 1.15 H new ATOM 0 HB3 LYS A 130 14.213 -13.691 -1.853 1.00 1.15 H new ATOM 0 HG2 LYS A 130 13.902 -12.329 -4.341 1.00 0.88 H new ATOM 0 HG3 LYS A 130 13.643 -14.033 -4.655 1.00 0.88 H new ATOM 0 HD2 LYS A 130 12.203 -12.306 -2.610 1.00 0.89 H new ATOM 0 HD3 LYS A 130 11.521 -13.021 -4.058 1.00 0.89 H new ATOM 0 HE2 LYS A 130 12.410 -14.418 -1.521 1.00 1.17 H new ATOM 0 HE3 LYS A 130 10.817 -14.408 -2.250 1.00 1.17 H new ATOM 0 HZ1 LYS A 130 11.771 -16.480 -2.748 1.00 2.01 H new ATOM 0 HZ2 LYS A 130 11.860 -15.592 -4.193 1.00 2.01 H new ATOM 0 HZ3 LYS A 130 13.247 -15.795 -3.234 1.00 2.01 H new ATOM 2110 N GLU A 131 16.031 -12.395 -5.174 1.00 1.11 N ATOM 2111 CA GLU A 131 16.706 -12.426 -6.469 1.00 1.21 C ATOM 2112 C GLU A 131 15.700 -12.314 -7.612 1.00 1.13 C ATOM 2113 O GLU A 131 15.724 -13.119 -8.545 1.00 1.53 O ATOM 2114 CB GLU A 131 17.464 -13.746 -6.616 1.00 1.41 C ATOM 2115 CG GLU A 131 16.616 -14.950 -6.237 1.00 1.39 C ATOM 2116 CD GLU A 131 17.344 -16.266 -6.438 1.00 1.58 C ATOM 2117 OE1 GLU A 131 17.251 -16.833 -7.547 1.00 1.76 O ATOM 2118 OE2 GLU A 131 18.005 -16.729 -5.486 1.00 1.84 O ATOM 0 H GLU A 131 15.040 -12.157 -5.223 1.00 1.11 H new ATOM 0 HA GLU A 131 17.393 -11.581 -6.515 1.00 1.21 H new ATOM 0 HB2 GLU A 131 17.802 -13.854 -7.646 1.00 1.41 H new ATOM 0 HB3 GLU A 131 18.355 -13.721 -5.989 1.00 1.41 H new ATOM 0 HG2 GLU A 131 16.314 -14.862 -5.193 1.00 1.39 H new ATOM 0 HG3 GLU A 131 15.704 -14.949 -6.834 1.00 1.39 H new ATOM 2125 N GLU A 132 14.824 -11.317 -7.547 1.00 0.92 N ATOM 2126 CA GLU A 132 13.806 -11.136 -8.579 1.00 0.89 C ATOM 2127 C GLU A 132 12.943 -12.388 -8.679 1.00 0.87 C ATOM 2128 O GLU A 132 12.509 -12.775 -9.764 1.00 1.05 O ATOM 2129 CB GLU A 132 14.457 -10.833 -9.932 1.00 1.14 C ATOM 2130 CG GLU A 132 15.203 -9.509 -9.967 1.00 1.38 C ATOM 2131 CD GLU A 132 15.804 -9.218 -11.328 1.00 1.65 C ATOM 2132 OE1 GLU A 132 15.107 -8.611 -12.168 1.00 1.61 O ATOM 2133 OE2 GLU A 132 16.973 -9.597 -11.555 1.00 1.99 O ATOM 0 H GLU A 132 14.797 -10.626 -6.797 1.00 0.92 H new ATOM 0 HA GLU A 132 13.177 -10.289 -8.304 1.00 0.89 H new ATOM 0 HB2 GLU A 132 15.150 -11.637 -10.180 1.00 1.14 H new ATOM 0 HB3 GLU A 132 13.686 -10.827 -10.703 1.00 1.14 H new ATOM 0 HG2 GLU A 132 14.521 -8.704 -9.695 1.00 1.38 H new ATOM 0 HG3 GLU A 132 15.995 -9.522 -9.219 1.00 1.38 H new ATOM 2140 N ALA A 133 12.691 -13.010 -7.530 1.00 0.77 N ATOM 2141 CA ALA A 133 11.902 -14.234 -7.471 1.00 0.78 C ATOM 2142 C ALA A 133 10.789 -14.149 -6.430 1.00 0.62 C ATOM 2143 O ALA A 133 10.444 -13.066 -5.956 1.00 0.54 O ATOM 2144 CB ALA A 133 12.816 -15.403 -7.156 1.00 0.97 C ATOM 0 H ALA A 133 13.025 -12.683 -6.623 1.00 0.77 H new ATOM 0 HA ALA A 133 11.428 -14.377 -8.442 1.00 0.78 H new ATOM 0 HB1 ALA A 133 12.230 -16.321 -7.111 1.00 0.97 H new ATOM 0 HB2 ALA A 133 13.573 -15.493 -7.935 1.00 0.97 H new ATOM 0 HB3 ALA A 133 13.303 -15.236 -6.195 1.00 0.97 H new ATOM 2150 N SER A 134 10.229 -15.308 -6.088 1.00 0.74 N ATOM 2151 CA SER A 134 9.158 -15.394 -5.098 1.00 0.82 C ATOM 2152 C SER A 134 9.515 -16.415 -4.017 1.00 0.99 C ATOM 2153 O SER A 134 9.029 -16.337 -2.890 1.00 1.18 O ATOM 2154 CB SER A 134 7.841 -15.785 -5.768 1.00 0.93 C ATOM 2155 OG SER A 134 7.962 -17.018 -6.456 1.00 1.11 O ATOM 0 H SER A 134 10.502 -16.207 -6.486 1.00 0.74 H new ATOM 0 HA SER A 134 9.039 -14.415 -4.635 1.00 0.82 H new ATOM 0 HB2 SER A 134 7.056 -15.861 -5.016 1.00 0.93 H new ATOM 0 HB3 SER A 134 7.539 -15.004 -6.466 1.00 0.93 H new ATOM 0 HG SER A 134 7.105 -17.245 -6.874 1.00 1.11 H new ATOM 2161 N GLY A 135 10.371 -17.371 -4.378 1.00 1.07 N ATOM 2162 CA GLY A 135 10.795 -18.396 -3.439 1.00 1.31 C ATOM 2163 C GLY A 135 12.274 -18.715 -3.571 1.00 1.47 C ATOM 2164 O GLY A 135 12.682 -19.427 -4.489 1.00 2.05 O ATOM 0 H GLY A 135 10.779 -17.453 -5.309 1.00 1.07 H new ATOM 0 HA2 GLY A 135 10.585 -18.064 -2.422 1.00 1.31 H new ATOM 0 HA3 GLY A 135 10.213 -19.302 -3.605 1.00 1.31 H new ATOM 2168 N SER A 136 13.081 -18.186 -2.652 1.00 1.46 N ATOM 2169 CA SER A 136 14.525 -18.408 -2.676 1.00 1.64 C ATOM 2170 C SER A 136 15.078 -18.582 -1.263 1.00 1.87 C ATOM 2171 O SER A 136 14.330 -18.852 -0.324 1.00 2.18 O ATOM 2172 CB SER A 136 15.222 -17.237 -3.370 1.00 1.57 C ATOM 2173 OG SER A 136 14.792 -17.108 -4.714 1.00 1.85 O ATOM 0 H SER A 136 12.758 -17.601 -1.882 1.00 1.46 H new ATOM 0 HA SER A 136 14.719 -19.325 -3.232 1.00 1.64 H new ATOM 0 HB2 SER A 136 15.014 -16.314 -2.829 1.00 1.57 H new ATOM 0 HB3 SER A 136 16.302 -17.386 -3.344 1.00 1.57 H new ATOM 0 HG SER A 136 15.265 -17.760 -5.273 1.00 1.85 H new ATOM 2179 N SER A 137 16.393 -18.424 -1.122 1.00 1.97 N ATOM 2180 CA SER A 137 17.047 -18.568 0.175 1.00 2.20 C ATOM 2181 C SER A 137 17.701 -17.262 0.617 1.00 2.16 C ATOM 2182 O SER A 137 18.150 -17.138 1.756 1.00 2.29 O ATOM 2183 CB SER A 137 18.096 -19.680 0.122 1.00 2.47 C ATOM 2184 OG SER A 137 17.505 -20.921 -0.227 1.00 2.60 O ATOM 0 H SER A 137 17.025 -18.197 -1.890 1.00 1.97 H new ATOM 0 HA SER A 137 16.280 -18.830 0.904 1.00 2.20 H new ATOM 0 HB2 SER A 137 18.867 -19.423 -0.605 1.00 2.47 H new ATOM 0 HB3 SER A 137 18.588 -19.767 1.091 1.00 2.47 H new ATOM 0 HG SER A 137 18.196 -21.616 -0.256 1.00 2.60 H new ATOM 2190 N VAL A 138 17.751 -16.289 -0.289 1.00 1.99 N ATOM 2191 CA VAL A 138 18.344 -14.992 0.016 1.00 1.94 C ATOM 2192 C VAL A 138 17.416 -14.170 0.907 1.00 1.87 C ATOM 2193 O VAL A 138 16.197 -14.334 0.866 1.00 1.80 O ATOM 2194 CB VAL A 138 18.670 -14.211 -1.273 1.00 1.78 C ATOM 2195 CG1 VAL A 138 19.299 -12.870 -0.946 1.00 1.69 C ATOM 2196 CG2 VAL A 138 19.588 -15.029 -2.170 1.00 1.88 C ATOM 0 H VAL A 138 17.388 -16.375 -1.239 1.00 1.99 H new ATOM 0 HA VAL A 138 19.276 -15.173 0.552 1.00 1.94 H new ATOM 0 HB VAL A 138 17.738 -14.026 -1.807 1.00 1.78 H new ATOM 0 HG11 VAL A 138 19.520 -12.337 -1.871 1.00 1.69 H new ATOM 0 HG12 VAL A 138 18.607 -12.281 -0.344 1.00 1.69 H new ATOM 0 HG13 VAL A 138 20.222 -13.027 -0.388 1.00 1.69 H new ATOM 0 HG21 VAL A 138 19.809 -14.465 -3.076 1.00 1.88 H new ATOM 0 HG22 VAL A 138 20.516 -15.244 -1.641 1.00 1.88 H new ATOM 0 HG23 VAL A 138 19.097 -15.965 -2.437 1.00 1.88 H new ATOM 2206 N THR A 139 17.998 -13.287 1.716 1.00 1.92 N ATOM 2207 CA THR A 139 17.223 -12.470 2.643 1.00 1.91 C ATOM 2208 C THR A 139 17.277 -10.973 2.304 1.00 1.68 C ATOM 2209 O THR A 139 17.835 -10.569 1.284 1.00 1.53 O ATOM 2210 CB THR A 139 17.723 -12.694 4.087 1.00 2.17 C ATOM 2211 OG1 THR A 139 16.990 -11.884 5.011 1.00 2.01 O ATOM 2212 CG2 THR A 139 19.208 -12.383 4.191 1.00 2.38 C ATOM 0 H THR A 139 19.004 -13.120 1.747 1.00 1.92 H new ATOM 0 HA THR A 139 16.183 -12.785 2.551 1.00 1.91 H new ATOM 0 HB THR A 139 17.562 -13.742 4.340 1.00 2.17 H new ATOM 0 HG1 THR A 139 17.321 -12.043 5.920 1.00 2.01 H new ATOM 0 HG21 THR A 139 19.543 -12.546 5.215 1.00 2.38 H new ATOM 0 HG22 THR A 139 19.764 -13.036 3.519 1.00 2.38 H new ATOM 0 HG23 THR A 139 19.382 -11.343 3.914 1.00 2.38 H new ATOM 2220 N ALA A 140 16.675 -10.168 3.184 1.00 1.71 N ATOM 2221 CA ALA A 140 16.604 -8.710 3.038 1.00 1.53 C ATOM 2222 C ALA A 140 17.956 -8.054 2.752 1.00 1.45 C ATOM 2223 O ALA A 140 18.005 -6.883 2.382 1.00 1.28 O ATOM 2224 CB ALA A 140 15.996 -8.103 4.293 1.00 1.70 C ATOM 0 H ALA A 140 16.218 -10.514 4.028 1.00 1.71 H new ATOM 0 HA ALA A 140 15.976 -8.514 2.169 1.00 1.53 H new ATOM 0 HB1 ALA A 140 15.943 -7.020 4.184 1.00 1.70 H new ATOM 0 HB2 ALA A 140 14.993 -8.502 4.441 1.00 1.70 H new ATOM 0 HB3 ALA A 140 16.616 -8.352 5.154 1.00 1.70 H new ATOM 2230 N GLU A 141 19.045 -8.797 2.927 1.00 1.61 N ATOM 2231 CA GLU A 141 20.389 -8.255 2.710 1.00 1.56 C ATOM 2232 C GLU A 141 20.487 -7.408 1.445 1.00 1.24 C ATOM 2233 O GLU A 141 20.942 -6.265 1.502 1.00 1.11 O ATOM 2234 CB GLU A 141 21.415 -9.385 2.668 1.00 1.79 C ATOM 2235 CG GLU A 141 21.872 -9.820 4.047 1.00 2.13 C ATOM 2236 CD GLU A 141 22.820 -11.004 4.002 1.00 2.39 C ATOM 2237 OE1 GLU A 141 24.020 -10.793 3.729 1.00 2.55 O ATOM 2238 OE2 GLU A 141 22.361 -12.141 4.241 1.00 2.65 O ATOM 0 H GLU A 141 19.027 -9.774 3.218 1.00 1.61 H new ATOM 0 HA GLU A 141 20.604 -7.596 3.551 1.00 1.56 H new ATOM 0 HB2 GLU A 141 20.985 -10.240 2.147 1.00 1.79 H new ATOM 0 HB3 GLU A 141 22.280 -9.062 2.089 1.00 1.79 H new ATOM 0 HG2 GLU A 141 22.365 -8.984 4.543 1.00 2.13 H new ATOM 0 HG3 GLU A 141 21.001 -10.079 4.649 1.00 2.13 H new ATOM 2245 N GLU A 142 20.068 -7.952 0.310 1.00 1.16 N ATOM 2246 CA GLU A 142 20.127 -7.200 -0.938 1.00 0.91 C ATOM 2247 C GLU A 142 19.433 -5.857 -0.781 1.00 0.70 C ATOM 2248 O GLU A 142 19.947 -4.821 -1.212 1.00 0.59 O ATOM 2249 CB GLU A 142 19.485 -7.987 -2.079 1.00 0.97 C ATOM 2250 CG GLU A 142 20.090 -9.366 -2.283 1.00 1.17 C ATOM 2251 CD GLU A 142 19.766 -9.951 -3.644 1.00 1.44 C ATOM 2252 OE1 GLU A 142 18.571 -10.194 -3.916 1.00 1.95 O ATOM 2253 OE2 GLU A 142 20.705 -10.166 -4.438 1.00 1.81 O ATOM 0 H GLU A 142 19.689 -8.895 0.226 1.00 1.16 H new ATOM 0 HA GLU A 142 21.176 -7.032 -1.181 1.00 0.91 H new ATOM 0 HB2 GLU A 142 18.418 -8.093 -1.881 1.00 0.97 H new ATOM 0 HB3 GLU A 142 19.582 -7.416 -3.003 1.00 0.97 H new ATOM 0 HG2 GLU A 142 21.172 -9.305 -2.167 1.00 1.17 H new ATOM 0 HG3 GLU A 142 19.724 -10.038 -1.507 1.00 1.17 H new ATOM 2260 N ALA A 143 18.268 -5.878 -0.150 1.00 0.83 N ATOM 2261 CA ALA A 143 17.509 -4.662 0.071 1.00 0.93 C ATOM 2262 C ALA A 143 18.279 -3.697 0.963 1.00 1.09 C ATOM 2263 O ALA A 143 18.595 -2.587 0.547 1.00 1.40 O ATOM 2264 CB ALA A 143 16.152 -4.986 0.664 1.00 1.18 C ATOM 0 H ALA A 143 17.831 -6.724 0.216 1.00 0.83 H new ATOM 0 HA ALA A 143 17.353 -4.174 -0.891 1.00 0.93 H new ATOM 0 HB1 ALA A 143 15.595 -4.063 0.824 1.00 1.18 H new ATOM 0 HB2 ALA A 143 15.600 -5.629 -0.021 1.00 1.18 H new ATOM 0 HB3 ALA A 143 16.284 -5.499 1.616 1.00 1.18 H new ATOM 2270 N LYS A 144 18.605 -4.127 2.184 1.00 1.16 N ATOM 2271 CA LYS A 144 19.341 -3.268 3.105 1.00 1.25 C ATOM 2272 C LYS A 144 20.638 -2.807 2.456 1.00 0.93 C ATOM 2273 O LYS A 144 21.255 -1.836 2.894 1.00 0.94 O ATOM 2274 CB LYS A 144 19.627 -3.990 4.425 1.00 1.50 C ATOM 2275 CG LYS A 144 20.461 -5.248 4.268 1.00 2.20 C ATOM 2276 CD LYS A 144 20.663 -5.971 5.595 1.00 2.42 C ATOM 2277 CE LYS A 144 19.350 -6.481 6.175 1.00 2.29 C ATOM 2278 NZ LYS A 144 18.648 -5.440 6.978 1.00 3.25 N ATOM 0 H LYS A 144 18.374 -5.050 2.551 1.00 1.16 H new ATOM 0 HA LYS A 144 18.726 -2.397 3.330 1.00 1.25 H new ATOM 0 HB2 LYS A 144 20.143 -3.305 5.098 1.00 1.50 H new ATOM 0 HB3 LYS A 144 18.680 -4.250 4.899 1.00 1.50 H new ATOM 0 HG2 LYS A 144 19.974 -5.919 3.560 1.00 2.20 H new ATOM 0 HG3 LYS A 144 21.432 -4.989 3.845 1.00 2.20 H new ATOM 0 HD2 LYS A 144 21.345 -6.809 5.451 1.00 2.42 H new ATOM 0 HD3 LYS A 144 21.135 -5.295 6.308 1.00 2.42 H new ATOM 0 HE2 LYS A 144 18.701 -6.812 5.364 1.00 2.29 H new ATOM 0 HE3 LYS A 144 19.545 -7.351 6.802 1.00 2.29 H new ATOM 0 HZ1 LYS A 144 18.456 -5.808 7.932 1.00 3.25 H new ATOM 0 HZ2 LYS A 144 19.247 -4.593 7.048 1.00 3.25 H new ATOM 0 HZ3 LYS A 144 17.750 -5.192 6.516 1.00 3.25 H new ATOM 2292 N LYS A 145 21.046 -3.518 1.407 1.00 0.76 N ATOM 2293 CA LYS A 145 22.259 -3.180 0.680 1.00 0.60 C ATOM 2294 C LYS A 145 21.972 -2.164 -0.427 1.00 0.60 C ATOM 2295 O LYS A 145 22.841 -1.368 -0.784 1.00 0.65 O ATOM 2296 CB LYS A 145 22.878 -4.448 0.090 1.00 0.74 C ATOM 2297 CG LYS A 145 24.216 -4.228 -0.594 1.00 1.34 C ATOM 2298 CD LYS A 145 25.271 -3.709 0.373 1.00 1.92 C ATOM 2299 CE LYS A 145 25.650 -4.761 1.403 1.00 2.68 C ATOM 2300 NZ LYS A 145 26.710 -4.274 2.331 1.00 3.38 N ATOM 0 H LYS A 145 20.551 -4.332 1.044 1.00 0.76 H new ATOM 0 HA LYS A 145 22.964 -2.726 1.376 1.00 0.60 H new ATOM 0 HB2 LYS A 145 23.006 -5.181 0.887 1.00 0.74 H new ATOM 0 HB3 LYS A 145 22.181 -4.878 -0.630 1.00 0.74 H new ATOM 0 HG2 LYS A 145 24.557 -5.165 -1.034 1.00 1.34 H new ATOM 0 HG3 LYS A 145 24.093 -3.518 -1.412 1.00 1.34 H new ATOM 0 HD2 LYS A 145 26.158 -3.407 -0.183 1.00 1.92 H new ATOM 0 HD3 LYS A 145 24.895 -2.821 0.880 1.00 1.92 H new ATOM 0 HE2 LYS A 145 24.767 -5.042 1.976 1.00 2.68 H new ATOM 0 HE3 LYS A 145 25.998 -5.659 0.893 1.00 2.68 H new ATOM 0 HZ1 LYS A 145 26.940 -5.020 3.018 1.00 3.38 H new ATOM 0 HZ2 LYS A 145 27.562 -4.029 1.787 1.00 3.38 H new ATOM 0 HZ3 LYS A 145 26.369 -3.432 2.837 1.00 3.38 H new ATOM 2314 N PHE A 146 20.750 -2.188 -0.971 1.00 0.65 N ATOM 2315 CA PHE A 146 20.382 -1.264 -2.043 1.00 0.76 C ATOM 2316 C PHE A 146 20.047 0.131 -1.518 1.00 0.68 C ATOM 2317 O PHE A 146 20.582 1.124 -2.010 1.00 0.82 O ATOM 2318 CB PHE A 146 19.203 -1.800 -2.863 1.00 0.96 C ATOM 2319 CG PHE A 146 19.009 -1.103 -4.182 1.00 1.99 C ATOM 2320 CD1 PHE A 146 20.038 -0.387 -4.778 1.00 2.66 C ATOM 2321 CD2 PHE A 146 17.795 -1.181 -4.834 1.00 2.67 C ATOM 2322 CE1 PHE A 146 19.852 0.236 -5.994 1.00 3.61 C ATOM 2323 CE2 PHE A 146 17.603 -0.561 -6.050 1.00 3.66 C ATOM 2324 CZ PHE A 146 18.633 0.150 -6.632 1.00 4.01 C ATOM 0 H PHE A 146 20.009 -2.830 -0.689 1.00 0.65 H new ATOM 0 HA PHE A 146 21.258 -1.183 -2.687 1.00 0.76 H new ATOM 0 HB2 PHE A 146 19.354 -2.864 -3.045 1.00 0.96 H new ATOM 0 HB3 PHE A 146 18.291 -1.703 -2.275 1.00 0.96 H new ATOM 0 HD1 PHE A 146 20.996 -0.317 -4.283 1.00 2.66 H new ATOM 0 HD2 PHE A 146 16.984 -1.736 -4.385 1.00 2.67 H new ATOM 0 HE1 PHE A 146 20.661 0.791 -6.446 1.00 3.61 H new ATOM 0 HE2 PHE A 146 16.647 -0.632 -6.547 1.00 3.66 H new ATOM 0 HZ PHE A 146 18.484 0.637 -7.584 1.00 4.01 H new ATOM 2334 N LEU A 147 19.167 0.211 -0.523 1.00 0.62 N ATOM 2335 CA LEU A 147 18.777 1.505 0.033 1.00 0.58 C ATOM 2336 C LEU A 147 19.717 1.942 1.154 1.00 0.86 C ATOM 2337 O LEU A 147 19.332 2.719 2.028 1.00 1.09 O ATOM 2338 CB LEU A 147 17.320 1.486 0.532 1.00 0.52 C ATOM 2339 CG LEU A 147 16.865 0.254 1.329 1.00 0.86 C ATOM 2340 CD1 LEU A 147 16.430 -0.851 0.390 1.00 0.67 C ATOM 2341 CD2 LEU A 147 17.952 -0.238 2.273 1.00 2.00 C ATOM 0 H LEU A 147 18.715 -0.594 -0.089 1.00 0.62 H new ATOM 0 HA LEU A 147 18.853 2.233 -0.774 1.00 0.58 H new ATOM 0 HB2 LEU A 147 17.165 2.367 1.155 1.00 0.52 H new ATOM 0 HB3 LEU A 147 16.665 1.589 -0.334 1.00 0.52 H new ATOM 0 HG LEU A 147 16.012 0.550 1.940 1.00 0.86 H new ATOM 0 HD11 LEU A 147 16.111 -1.717 0.970 1.00 0.67 H new ATOM 0 HD12 LEU A 147 15.601 -0.501 -0.225 1.00 0.67 H new ATOM 0 HD13 LEU A 147 17.265 -1.132 -0.252 1.00 0.67 H new ATOM 0 HD21 LEU A 147 17.592 -1.110 2.819 1.00 2.00 H new ATOM 0 HD22 LEU A 147 18.838 -0.509 1.698 1.00 2.00 H new ATOM 0 HD23 LEU A 147 18.206 0.553 2.979 1.00 2.00 H new ATOM 2353 N ALA A 148 20.951 1.448 1.122 1.00 1.09 N ATOM 2354 CA ALA A 148 21.935 1.799 2.138 1.00 1.48 C ATOM 2355 C ALA A 148 22.435 3.230 1.944 1.00 1.93 C ATOM 2356 O ALA A 148 22.498 3.724 0.818 1.00 2.04 O ATOM 2357 CB ALA A 148 23.098 0.823 2.118 1.00 1.55 C ATOM 0 H ALA A 148 21.292 0.806 0.406 1.00 1.09 H new ATOM 0 HA ALA A 148 21.449 1.738 3.112 1.00 1.48 H new ATOM 0 HB1 ALA A 148 23.821 1.103 2.884 1.00 1.55 H new ATOM 0 HB2 ALA A 148 22.731 -0.184 2.316 1.00 1.55 H new ATOM 0 HB3 ALA A 148 23.578 0.849 1.140 1.00 1.55 H new ATOM 2363 N PRO A 149 22.798 3.917 3.043 1.00 2.31 N ATOM 2364 CA PRO A 149 23.287 5.285 3.003 1.00 2.77 C ATOM 2365 C PRO A 149 24.810 5.368 2.970 1.00 3.11 C ATOM 2366 O PRO A 149 25.379 6.446 2.796 1.00 3.61 O ATOM 2367 CB PRO A 149 22.748 5.860 4.315 1.00 3.06 C ATOM 2368 CG PRO A 149 22.584 4.687 5.242 1.00 2.83 C ATOM 2369 CD PRO A 149 22.753 3.425 4.424 1.00 2.43 C ATOM 0 HA PRO A 149 22.966 5.816 2.107 1.00 2.77 H new ATOM 0 HB2 PRO A 149 23.437 6.594 4.732 1.00 3.06 H new ATOM 0 HB3 PRO A 149 21.797 6.369 4.157 1.00 3.06 H new ATOM 0 HG2 PRO A 149 23.323 4.726 6.042 1.00 2.83 H new ATOM 0 HG3 PRO A 149 21.602 4.708 5.714 1.00 2.83 H new ATOM 0 HD2 PRO A 149 23.666 2.893 4.691 1.00 2.43 H new ATOM 0 HD3 PRO A 149 21.925 2.733 4.577 1.00 2.43 H new ATOM 2377 N LYS A 150 25.467 4.224 3.138 1.00 2.90 N ATOM 2378 CA LYS A 150 26.924 4.169 3.134 1.00 3.21 C ATOM 2379 C LYS A 150 27.451 3.481 1.878 1.00 3.16 C ATOM 2380 O LYS A 150 26.717 2.772 1.191 1.00 3.09 O ATOM 2381 CB LYS A 150 27.430 3.441 4.381 1.00 3.27 C ATOM 2382 CG LYS A 150 26.744 2.106 4.625 1.00 2.92 C ATOM 2383 CD LYS A 150 27.262 1.438 5.887 1.00 3.01 C ATOM 2384 CE LYS A 150 26.498 0.160 6.194 1.00 3.04 C ATOM 2385 NZ LYS A 150 26.998 -0.502 7.431 1.00 3.33 N ATOM 0 H LYS A 150 25.012 3.322 3.279 1.00 2.90 H new ATOM 0 HA LYS A 150 27.296 5.193 3.140 1.00 3.21 H new ATOM 0 HB2 LYS A 150 28.503 3.277 4.286 1.00 3.27 H new ATOM 0 HB3 LYS A 150 27.282 4.081 5.251 1.00 3.27 H new ATOM 0 HG2 LYS A 150 25.668 2.258 4.708 1.00 2.92 H new ATOM 0 HG3 LYS A 150 26.908 1.449 3.771 1.00 2.92 H new ATOM 0 HD2 LYS A 150 28.322 1.211 5.771 1.00 3.01 H new ATOM 0 HD3 LYS A 150 27.174 2.127 6.727 1.00 3.01 H new ATOM 0 HE2 LYS A 150 25.438 0.389 6.308 1.00 3.04 H new ATOM 0 HE3 LYS A 150 26.587 -0.527 5.353 1.00 3.04 H new ATOM 0 HZ1 LYS A 150 26.451 -1.369 7.606 1.00 3.33 H new ATOM 0 HZ2 LYS A 150 28.003 -0.744 7.314 1.00 3.33 H new ATOM 0 HZ3 LYS A 150 26.889 0.144 8.239 1.00 3.33 H new ATOM 2399 N ASP A 151 28.729 3.699 1.589 1.00 3.59 N ATOM 2400 CA ASP A 151 29.366 3.102 0.421 1.00 3.74 C ATOM 2401 C ASP A 151 30.688 2.445 0.803 1.00 4.19 C ATOM 2402 O ASP A 151 30.965 2.228 1.985 1.00 4.76 O ATOM 2403 CB ASP A 151 29.600 4.166 -0.656 1.00 4.16 C ATOM 2404 CG ASP A 151 30.487 5.296 -0.171 1.00 4.32 C ATOM 2405 OD1 ASP A 151 31.726 5.153 -0.245 1.00 4.95 O ATOM 2406 OD2 ASP A 151 29.943 6.325 0.280 1.00 4.24 O ATOM 0 H ASP A 151 29.346 4.287 2.150 1.00 3.59 H new ATOM 0 HA ASP A 151 28.702 2.335 0.024 1.00 3.74 H new ATOM 0 HB2 ASP A 151 30.055 3.700 -1.530 1.00 4.16 H new ATOM 0 HB3 ASP A 151 28.640 4.573 -0.975 1.00 4.16 H new ATOM 2411 N LYS A 152 31.501 2.128 -0.200 1.00 4.37 N ATOM 2412 CA LYS A 152 32.795 1.493 0.035 1.00 5.13 C ATOM 2413 C LYS A 152 33.896 2.195 -0.754 1.00 5.44 C ATOM 2414 O LYS A 152 34.518 3.125 -0.199 1.00 5.88 O ATOM 2415 CB LYS A 152 32.736 0.013 -0.352 1.00 5.58 C ATOM 2416 CG LYS A 152 31.648 -0.761 0.374 1.00 5.83 C ATOM 2417 CD LYS A 152 31.551 -2.191 -0.130 1.00 6.32 C ATOM 2418 CE LYS A 152 30.427 -2.947 0.557 1.00 6.82 C ATOM 2419 NZ LYS A 152 30.292 -4.335 0.037 1.00 7.43 N ATOM 2420 OXT LYS A 152 34.129 1.809 -1.920 1.00 5.54 O ATOM 0 H LYS A 152 31.288 2.300 -1.183 1.00 4.37 H new ATOM 0 HA LYS A 152 33.026 1.575 1.097 1.00 5.13 H new ATOM 0 HB2 LYS A 152 32.572 -0.067 -1.427 1.00 5.58 H new ATOM 0 HB3 LYS A 152 33.701 -0.448 -0.141 1.00 5.58 H new ATOM 0 HG2 LYS A 152 31.855 -0.765 1.444 1.00 5.83 H new ATOM 0 HG3 LYS A 152 30.690 -0.260 0.236 1.00 5.83 H new ATOM 0 HD2 LYS A 152 31.384 -2.188 -1.207 1.00 6.32 H new ATOM 0 HD3 LYS A 152 32.496 -2.705 0.044 1.00 6.32 H new ATOM 0 HE2 LYS A 152 30.614 -2.978 1.630 1.00 6.82 H new ATOM 0 HE3 LYS A 152 29.488 -2.412 0.412 1.00 6.82 H new ATOM 0 HZ1 LYS A 152 29.514 -4.817 0.532 1.00 7.43 H new ATOM 0 HZ2 LYS A 152 30.089 -4.306 -0.982 1.00 7.43 H new ATOM 0 HZ3 LYS A 152 31.179 -4.854 0.198 1.00 7.43 H new TER 2434 LYS A 152