USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 791 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 106 CYS SG : rot 130:sc= 1.23 USER MOD Set 1.2: A 110 SER OG : rot 82:sc= 1.04 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.586 K(o=-0.59,f=-3.9!) USER MOD Single : A 54 MET CE :methyl -137:sc= -0.335 (180deg=-1.22) USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00888) USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= 1.24 (180deg=0.295) USER MOD Single : A 58 CYS SG : rot -6:sc= 0.0194 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 162:sc=-0.00854 (180deg=-0.104) USER MOD Single : A 63 ASN : amide:sc= -2.54! C(o=-2.5!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.04) USER MOD Single : A 74 CYS SG : rot 66:sc= -1.27 USER MOD Single : A 75 LYS NZ :NH3+ 155:sc= 1.27 (180deg=1.1) USER MOD Single : A 76 MET CE :methyl 170:sc= -3.57! (180deg=-4.2!) USER MOD Single : A 77 GLN : amide:sc= -1.13 K(o=-1.1,f=-1.7!) USER MOD Single : A 78 THR OG1 : rot -44:sc= 1.25 USER MOD Single : A 81 HIS : no HD1:sc= -1.29 K(o=-1.3,f=0.39) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.784 K(o=-0.78,f=-2.4) USER MOD Single : A 92 GLN : amide:sc= -1 K(o=-1,f=-5.2!) USER MOD Single : A 93 GLN : amide:sc= -0.445 X(o=-0.44,f=-0.37) USER MOD Single : A 96 HIS : no HD1:sc= -2.19! C(o=-2.2!,f=-8.9!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -32:sc= 0.114 USER MOD Single : A 107 ASN : amide:sc= -0.0345 K(o=-0.034,f=-0.74) USER MOD Single : A 114 SER OG : rot 101:sc= 1.21 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot -116:sc= 1.07 USER MOD Single : A 126 TYR OH : rot -23:sc= -3.66! USER MOD Single : A 128 ASN : amide:sc= -2.85! K(o=-2.8!,f=-0.58) USER MOD Single : A 131 CYS SG : rot 133:sc= -1.75! USER MOD Single : A 132 THR OG1 : rot 76:sc= 1.29 USER MOD Single : A 135 LYS NZ :NH3+ -164:sc= -0.0347 (180deg=-0.306) USER MOD Single : A 137 HIS : no HD1:sc= -0.352 X(o=-0.35,f=-0.032) USER MOD Single : A 138 SER OG : rot 54:sc= 1.16 USER MOD Single : A 140 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0121) USER MOD Single : A 141 LYS NZ :NH3+ -142:sc= -1.96! (180deg=-3.82!) USER MOD Single : A 142 LYS NZ :NH3+ -167:sc= -0.044 (180deg=-0.308) USER MOD Single : A 144 ASN : amide:sc= 0.997 K(o=1,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -27.089 -1.328 -5.988 1.00 11.48 N ATOM 2 CA GLY A 51 -25.713 -1.784 -5.686 1.00 11.08 C ATOM 3 C GLY A 51 -25.707 -3.046 -4.852 1.00 10.43 C ATOM 4 O GLY A 51 -25.619 -2.987 -3.625 1.00 10.45 O ATOM 0 HA2 GLY A 51 -25.177 -1.962 -6.618 1.00 11.08 H new ATOM 0 HA3 GLY A 51 -25.178 -0.996 -5.156 1.00 11.08 H new ATOM 10 N SER A 52 -25.793 -4.190 -5.515 1.00 10.08 N ATOM 11 CA SER A 52 -25.827 -5.473 -4.829 1.00 9.69 C ATOM 12 C SER A 52 -24.438 -5.878 -4.345 1.00 9.02 C ATOM 13 O SER A 52 -23.806 -6.774 -4.904 1.00 8.98 O ATOM 14 CB SER A 52 -26.390 -6.550 -5.758 1.00 10.27 C ATOM 15 OG SER A 52 -27.692 -6.208 -6.207 1.00 10.53 O ATOM 0 H SER A 52 -25.841 -4.256 -6.532 1.00 10.08 H new ATOM 0 HA SER A 52 -26.474 -5.372 -3.958 1.00 9.69 H new ATOM 0 HB2 SER A 52 -25.728 -6.678 -6.615 1.00 10.27 H new ATOM 0 HB3 SER A 52 -26.422 -7.506 -5.235 1.00 10.27 H new ATOM 0 HG SER A 52 -28.029 -6.911 -6.800 1.00 10.53 H new ATOM 21 N HIS A 53 -23.966 -5.204 -3.309 1.00 8.73 N ATOM 22 CA HIS A 53 -22.689 -5.533 -2.699 1.00 8.32 C ATOM 23 C HIS A 53 -22.719 -5.219 -1.208 1.00 7.73 C ATOM 24 O HIS A 53 -22.446 -6.095 -0.391 1.00 7.87 O ATOM 25 CB HIS A 53 -21.529 -4.794 -3.395 1.00 8.73 C ATOM 26 CG HIS A 53 -21.667 -3.298 -3.455 1.00 9.23 C ATOM 27 ND1 HIS A 53 -21.133 -2.485 -2.481 1.00 9.69 N ATOM 28 CD2 HIS A 53 -22.263 -2.526 -4.394 1.00 9.62 C ATOM 29 CE1 HIS A 53 -21.414 -1.247 -2.850 1.00 10.29 C ATOM 30 NE2 HIS A 53 -22.098 -1.219 -4.004 1.00 10.28 N ATOM 0 H HIS A 53 -24.452 -4.421 -2.871 1.00 8.73 H new ATOM 0 HA HIS A 53 -22.518 -6.602 -2.824 1.00 8.32 H new ATOM 0 HB2 HIS A 53 -20.602 -5.037 -2.876 1.00 8.73 H new ATOM 0 HB3 HIS A 53 -21.435 -5.175 -4.412 1.00 8.73 H new ATOM 0 HD2 HIS A 53 -22.772 -2.872 -5.282 1.00 9.62 H new ATOM 0 HE1 HIS A 53 -21.128 -0.368 -2.292 1.00 10.29 H new ATOM 0 HE2 HIS A 53 -22.430 -0.389 -4.496 1.00 10.28 H new ATOM 38 N MET A 54 -23.084 -3.980 -0.864 1.00 7.35 N ATOM 39 CA MET A 54 -23.119 -3.536 0.530 1.00 7.08 C ATOM 40 C MET A 54 -21.779 -3.855 1.192 1.00 6.25 C ATOM 41 O MET A 54 -21.712 -4.545 2.209 1.00 6.50 O ATOM 42 CB MET A 54 -24.291 -4.206 1.271 1.00 7.61 C ATOM 43 CG MET A 54 -24.794 -3.444 2.496 1.00 8.34 C ATOM 44 SD MET A 54 -23.818 -3.729 3.986 1.00 8.78 S ATOM 45 CE MET A 54 -24.025 -5.499 4.189 1.00 9.55 C ATOM 0 H MET A 54 -23.360 -3.265 -1.537 1.00 7.35 H new ATOM 0 HA MET A 54 -23.278 -2.459 0.573 1.00 7.08 H new ATOM 0 HB2 MET A 54 -25.119 -4.332 0.573 1.00 7.61 H new ATOM 0 HB3 MET A 54 -23.982 -5.204 1.583 1.00 7.61 H new ATOM 0 HG2 MET A 54 -24.795 -2.377 2.273 1.00 8.34 H new ATOM 0 HG3 MET A 54 -25.828 -3.730 2.690 1.00 8.34 H new ATOM 0 HE1 MET A 54 -24.205 -5.726 5.240 1.00 9.55 H new ATOM 0 HE2 MET A 54 -24.873 -5.837 3.594 1.00 9.55 H new ATOM 0 HE3 MET A 54 -23.122 -6.011 3.857 1.00 9.55 H new ATOM 55 N GLY A 55 -20.709 -3.342 0.591 1.00 5.61 N ATOM 56 CA GLY A 55 -19.362 -3.694 1.013 1.00 5.11 C ATOM 57 C GLY A 55 -19.006 -5.141 0.700 1.00 4.35 C ATOM 58 O GLY A 55 -18.007 -5.402 0.025 1.00 4.69 O ATOM 0 H GLY A 55 -20.751 -2.684 -0.187 1.00 5.61 H new ATOM 0 HA2 GLY A 55 -18.648 -3.034 0.521 1.00 5.11 H new ATOM 0 HA3 GLY A 55 -19.266 -3.525 2.085 1.00 5.11 H new ATOM 62 N LYS A 56 -19.813 -6.061 1.238 1.00 3.64 N ATOM 63 CA LYS A 56 -19.684 -7.496 1.033 1.00 3.11 C ATOM 64 C LYS A 56 -18.690 -8.064 2.029 1.00 2.55 C ATOM 65 O LYS A 56 -19.067 -8.570 3.087 1.00 2.86 O ATOM 66 CB LYS A 56 -19.269 -7.848 -0.403 1.00 3.33 C ATOM 67 CG LYS A 56 -18.985 -9.324 -0.603 1.00 3.32 C ATOM 68 CD LYS A 56 -20.262 -10.145 -0.515 1.00 4.10 C ATOM 69 CE LYS A 56 -19.996 -11.640 -0.608 1.00 4.54 C ATOM 70 NZ LYS A 56 -19.375 -12.173 0.632 1.00 5.01 N ATOM 0 H LYS A 56 -20.595 -5.814 1.845 1.00 3.64 H new ATOM 0 HA LYS A 56 -20.664 -7.944 1.195 1.00 3.11 H new ATOM 0 HB2 LYS A 56 -20.060 -7.542 -1.087 1.00 3.33 H new ATOM 0 HB3 LYS A 56 -18.380 -7.275 -0.667 1.00 3.33 H new ATOM 0 HG2 LYS A 56 -18.516 -9.479 -1.575 1.00 3.32 H new ATOM 0 HG3 LYS A 56 -18.276 -9.666 0.151 1.00 3.32 H new ATOM 0 HD2 LYS A 56 -20.768 -9.926 0.426 1.00 4.10 H new ATOM 0 HD3 LYS A 56 -20.938 -9.848 -1.317 1.00 4.10 H new ATOM 0 HE2 LYS A 56 -20.933 -12.164 -0.798 1.00 4.54 H new ATOM 0 HE3 LYS A 56 -19.341 -11.840 -1.456 1.00 4.54 H new ATOM 0 HZ1 LYS A 56 -19.257 -13.203 0.546 1.00 5.01 H new ATOM 0 HZ2 LYS A 56 -18.445 -11.729 0.773 1.00 5.01 H new ATOM 0 HZ3 LYS A 56 -19.987 -11.961 1.446 1.00 5.01 H new ATOM 84 N LYS A 57 -17.429 -7.981 1.678 1.00 2.28 N ATOM 85 CA LYS A 57 -16.363 -8.436 2.537 1.00 1.87 C ATOM 86 C LYS A 57 -15.817 -7.260 3.357 1.00 1.72 C ATOM 87 O LYS A 57 -16.544 -6.314 3.658 1.00 2.48 O ATOM 88 CB LYS A 57 -15.284 -9.059 1.656 1.00 1.84 C ATOM 89 CG LYS A 57 -14.464 -10.144 2.342 1.00 2.16 C ATOM 90 CD LYS A 57 -13.118 -10.319 1.665 1.00 2.61 C ATOM 91 CE LYS A 57 -12.332 -11.479 2.252 1.00 3.28 C ATOM 92 NZ LYS A 57 -10.995 -11.620 1.614 1.00 3.67 N ATOM 0 H LYS A 57 -17.113 -7.596 0.788 1.00 2.28 H new ATOM 0 HA LYS A 57 -16.722 -9.183 3.245 1.00 1.87 H new ATOM 0 HB2 LYS A 57 -15.755 -9.482 0.769 1.00 1.84 H new ATOM 0 HB3 LYS A 57 -14.611 -8.272 1.315 1.00 1.84 H new ATOM 0 HG2 LYS A 57 -14.317 -9.885 3.390 1.00 2.16 H new ATOM 0 HG3 LYS A 57 -15.011 -11.087 2.320 1.00 2.16 H new ATOM 0 HD2 LYS A 57 -13.268 -10.486 0.598 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -12.539 -9.401 1.766 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -12.209 -11.329 3.325 1.00 3.28 H new ATOM 0 HE3 LYS A 57 -12.896 -12.403 2.122 1.00 3.28 H new ATOM 0 HZ1 LYS A 57 -10.700 -12.617 1.643 1.00 3.67 H new ATOM 0 HZ2 LYS A 57 -11.047 -11.303 0.625 1.00 3.67 H new ATOM 0 HZ3 LYS A 57 -10.302 -11.039 2.128 1.00 3.67 H new ATOM 106 N CYS A 58 -14.532 -7.307 3.668 1.00 1.35 N ATOM 107 CA CYS A 58 -13.902 -6.309 4.527 1.00 1.14 C ATOM 108 C CYS A 58 -12.406 -6.337 4.326 1.00 0.88 C ATOM 109 O CYS A 58 -11.646 -6.751 5.200 1.00 1.38 O ATOM 110 CB CYS A 58 -14.209 -6.518 6.008 1.00 1.36 C ATOM 111 SG CYS A 58 -15.967 -6.521 6.444 1.00 1.88 S ATOM 0 H CYS A 58 -13.896 -8.032 3.336 1.00 1.35 H new ATOM 0 HA CYS A 58 -14.315 -5.342 4.241 1.00 1.14 H new ATOM 0 HB2 CYS A 58 -13.773 -7.466 6.322 1.00 1.36 H new ATOM 0 HB3 CYS A 58 -13.712 -5.734 6.579 1.00 1.36 H new ATOM 0 HG CYS A 58 -16.673 -6.199 5.401 1.00 1.88 H new ATOM 117 N TYR A 59 -12.003 -5.915 3.151 1.00 0.42 N ATOM 118 CA TYR A 59 -10.608 -5.833 2.785 1.00 0.31 C ATOM 119 C TYR A 59 -9.864 -4.800 3.626 1.00 0.30 C ATOM 120 O TYR A 59 -8.655 -4.719 3.550 1.00 0.33 O ATOM 121 CB TYR A 59 -10.511 -5.473 1.305 1.00 0.67 C ATOM 122 CG TYR A 59 -11.640 -6.067 0.487 1.00 1.01 C ATOM 123 CD1 TYR A 59 -11.544 -7.325 -0.092 1.00 1.26 C ATOM 124 CD2 TYR A 59 -12.792 -5.356 0.291 1.00 1.22 C ATOM 125 CE1 TYR A 59 -12.575 -7.849 -0.841 1.00 1.58 C ATOM 126 CE2 TYR A 59 -13.836 -5.863 -0.457 1.00 1.56 C ATOM 127 CZ TYR A 59 -13.693 -7.197 -1.003 1.00 1.66 C ATOM 128 OH TYR A 59 -14.756 -7.628 -1.771 1.00 2.04 O ATOM 0 H TYR A 59 -12.641 -5.616 2.414 1.00 0.42 H new ATOM 0 HA TYR A 59 -10.140 -6.800 2.971 1.00 0.31 H new ATOM 0 HB2 TYR A 59 -10.520 -4.388 1.197 1.00 0.67 H new ATOM 0 HB3 TYR A 59 -9.557 -5.824 0.911 1.00 0.67 H new ATOM 0 HD1 TYR A 59 -10.643 -7.904 0.047 1.00 1.26 H new ATOM 0 HD2 TYR A 59 -12.887 -4.375 0.732 1.00 1.22 H new ATOM 0 HE1 TYR A 59 -12.455 -8.818 -1.303 1.00 1.58 H new ATOM 0 HE2 TYR A 59 -14.731 -5.283 -0.629 1.00 1.56 H new ATOM 0 HH TYR A 59 -15.477 -6.965 -1.733 1.00 2.04 H new ATOM 138 N LYS A 60 -10.590 -4.009 4.417 1.00 0.29 N ATOM 139 CA LYS A 60 -9.967 -2.974 5.246 1.00 0.29 C ATOM 140 C LYS A 60 -8.873 -3.568 6.122 1.00 0.25 C ATOM 141 O LYS A 60 -7.726 -3.133 6.069 1.00 0.26 O ATOM 142 CB LYS A 60 -11.039 -2.291 6.117 1.00 0.37 C ATOM 143 CG LYS A 60 -10.546 -1.109 6.948 1.00 0.57 C ATOM 144 CD LYS A 60 -9.767 -1.559 8.167 1.00 0.43 C ATOM 145 CE LYS A 60 -10.336 -0.983 9.451 1.00 0.76 C ATOM 146 NZ LYS A 60 -11.711 -1.477 9.729 1.00 1.62 N ATOM 0 H LYS A 60 -11.605 -4.064 4.502 1.00 0.29 H new ATOM 0 HA LYS A 60 -9.510 -2.231 4.592 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.846 -1.948 5.469 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.465 -3.035 6.790 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -9.915 -0.469 6.330 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.398 -0.507 7.264 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -9.778 -2.648 8.222 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -8.725 -1.255 8.064 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -9.683 -1.243 10.284 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -10.349 0.105 9.384 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -11.942 -1.316 10.730 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -12.391 -0.966 9.131 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -11.763 -2.495 9.521 1.00 1.62 H new ATOM 160 N LEU A 61 -9.232 -4.567 6.911 1.00 0.25 N ATOM 161 CA LEU A 61 -8.278 -5.221 7.776 1.00 0.25 C ATOM 162 C LEU A 61 -7.199 -5.915 6.979 1.00 0.26 C ATOM 163 O LEU A 61 -6.013 -5.827 7.314 1.00 0.30 O ATOM 164 CB LEU A 61 -8.972 -6.224 8.667 1.00 0.30 C ATOM 165 CG LEU A 61 -8.996 -5.844 10.138 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.398 -7.038 10.980 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.640 -5.291 10.569 1.00 0.63 C ATOM 0 H LEU A 61 -10.180 -4.940 6.967 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.813 -4.451 8.392 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.997 -6.352 8.320 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.477 -7.189 8.561 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.738 -5.060 10.289 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.412 -6.753 12.032 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.391 -7.375 10.682 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.681 -7.846 10.832 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.675 -5.024 11.625 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.872 -6.048 10.411 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.404 -4.406 9.979 1.00 0.63 H new ATOM 179 N GLU A 62 -7.621 -6.634 5.951 1.00 0.25 N ATOM 180 CA GLU A 62 -6.728 -7.263 5.026 1.00 0.29 C ATOM 181 C GLU A 62 -5.679 -6.273 4.539 1.00 0.23 C ATOM 182 O GLU A 62 -4.479 -6.491 4.696 1.00 0.20 O ATOM 183 CB GLU A 62 -7.566 -7.781 3.864 1.00 0.39 C ATOM 184 CG GLU A 62 -7.124 -9.128 3.378 1.00 0.63 C ATOM 185 CD GLU A 62 -8.179 -9.822 2.540 1.00 1.48 C ATOM 186 OE1 GLU A 62 -9.087 -10.447 3.111 1.00 1.98 O ATOM 187 OE2 GLU A 62 -8.098 -9.743 1.293 1.00 2.20 O ATOM 0 H GLU A 62 -8.607 -6.791 5.744 1.00 0.25 H new ATOM 0 HA GLU A 62 -6.196 -8.085 5.505 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.610 -7.837 4.173 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -7.515 -7.069 3.040 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -6.213 -9.017 2.789 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -6.875 -9.755 4.234 1.00 0.63 H new ATOM 194 N ASN A 63 -6.154 -5.167 3.994 1.00 0.22 N ATOM 195 CA ASN A 63 -5.298 -4.140 3.435 1.00 0.19 C ATOM 196 C ASN A 63 -4.450 -3.449 4.488 1.00 0.15 C ATOM 197 O ASN A 63 -3.277 -3.178 4.244 1.00 0.16 O ATOM 198 CB ASN A 63 -6.147 -3.115 2.698 1.00 0.21 C ATOM 199 CG ASN A 63 -6.774 -3.695 1.454 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.248 -4.625 0.874 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.903 -3.145 1.042 1.00 0.27 N ATOM 0 H ASN A 63 -7.150 -4.957 3.927 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.612 -4.629 2.743 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.930 -2.747 3.361 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.529 -2.258 2.428 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.368 -3.500 0.206 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.309 -2.366 1.560 1.00 0.27 H new ATOM 208 N GLU A 64 -5.034 -3.137 5.642 1.00 0.15 N ATOM 209 CA GLU A 64 -4.271 -2.558 6.731 1.00 0.16 C ATOM 210 C GLU A 64 -3.069 -3.429 7.025 1.00 0.14 C ATOM 211 O GLU A 64 -1.933 -2.973 6.988 1.00 0.17 O ATOM 212 CB GLU A 64 -5.113 -2.435 7.998 1.00 0.21 C ATOM 213 CG GLU A 64 -6.108 -1.292 7.986 1.00 0.30 C ATOM 214 CD GLU A 64 -6.617 -0.970 9.381 1.00 1.20 C ATOM 215 OE1 GLU A 64 -7.126 -1.885 10.060 1.00 1.75 O ATOM 216 OE2 GLU A 64 -6.493 0.196 9.814 1.00 1.77 O ATOM 0 H GLU A 64 -6.025 -3.276 5.841 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.955 -1.560 6.426 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.654 -3.369 8.151 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.446 -2.310 8.851 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -5.639 -0.407 7.557 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -6.949 -1.550 7.343 1.00 0.30 H new ATOM 223 N LYS A 65 -3.345 -4.697 7.277 1.00 0.13 N ATOM 224 CA LYS A 65 -2.328 -5.650 7.645 1.00 0.14 C ATOM 225 C LYS A 65 -1.283 -5.785 6.560 1.00 0.12 C ATOM 226 O LYS A 65 -0.094 -5.674 6.821 1.00 0.14 O ATOM 227 CB LYS A 65 -2.974 -6.994 7.883 1.00 0.20 C ATOM 228 CG LYS A 65 -2.381 -7.717 9.060 1.00 0.44 C ATOM 229 CD LYS A 65 -1.224 -8.629 8.687 1.00 0.86 C ATOM 230 CE LYS A 65 -1.673 -9.800 7.831 1.00 1.32 C ATOM 231 NZ LYS A 65 -0.684 -10.909 7.879 1.00 1.93 N ATOM 0 H LYS A 65 -4.285 -5.090 7.230 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.836 -5.296 8.551 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -4.043 -6.856 8.046 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -2.865 -7.609 6.990 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -2.036 -6.985 9.791 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -3.159 -8.308 9.544 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.470 -8.055 8.149 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -0.751 -9.004 9.595 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -2.642 -10.158 8.178 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -1.805 -9.471 6.800 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -0.990 -11.675 7.246 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 0.246 -10.558 7.573 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -0.615 -11.271 8.852 1.00 1.93 H new ATOM 245 N LEU A 66 -1.745 -6.048 5.347 1.00 0.11 N ATOM 246 CA LEU A 66 -0.860 -6.166 4.195 1.00 0.10 C ATOM 247 C LEU A 66 0.028 -4.938 4.081 1.00 0.08 C ATOM 248 O LEU A 66 1.227 -5.047 3.837 1.00 0.08 O ATOM 249 CB LEU A 66 -1.676 -6.334 2.917 1.00 0.10 C ATOM 250 CG LEU A 66 -2.480 -7.624 2.827 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.387 -7.597 1.609 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.548 -8.818 2.769 1.00 0.17 C ATOM 0 H LEU A 66 -2.733 -6.185 5.133 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.230 -7.045 4.333 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.361 -5.491 2.829 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.999 -6.286 2.064 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.102 -7.712 3.718 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.955 -8.526 1.558 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.074 -6.755 1.686 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.783 -7.491 0.708 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.134 -9.735 2.705 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.906 -8.736 1.892 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.933 -8.843 3.668 1.00 0.17 H new ATOM 264 N PHE A 67 -0.570 -3.772 4.277 1.00 0.07 N ATOM 265 CA PHE A 67 0.165 -2.528 4.279 1.00 0.06 C ATOM 266 C PHE A 67 1.271 -2.559 5.329 1.00 0.06 C ATOM 267 O PHE A 67 2.416 -2.250 5.034 1.00 0.07 O ATOM 268 CB PHE A 67 -0.772 -1.352 4.545 1.00 0.08 C ATOM 269 CG PHE A 67 -0.051 -0.049 4.564 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.717 0.313 3.484 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.123 0.796 5.657 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.417 1.505 3.483 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.567 1.990 5.663 1.00 0.12 C ATOM 274 CZ PHE A 67 1.339 2.342 4.573 1.00 0.09 C ATOM 0 H PHE A 67 -1.572 -3.668 4.438 1.00 0.07 H new ATOM 0 HA PHE A 67 0.618 -2.401 3.296 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.546 -1.326 3.778 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.276 -1.500 5.500 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.774 -0.341 2.626 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.723 0.519 6.511 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.022 1.778 2.631 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.504 2.648 6.517 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.882 3.275 4.576 1.00 0.09 H new ATOM 284 N GLU A 68 0.913 -2.940 6.551 1.00 0.08 N ATOM 285 CA GLU A 68 1.874 -3.020 7.650 1.00 0.09 C ATOM 286 C GLU A 68 2.932 -4.065 7.350 1.00 0.10 C ATOM 287 O GLU A 68 4.106 -3.873 7.648 1.00 0.12 O ATOM 288 CB GLU A 68 1.174 -3.379 8.964 1.00 0.14 C ATOM 289 CG GLU A 68 -0.114 -2.624 9.178 1.00 0.21 C ATOM 290 CD GLU A 68 -0.744 -2.886 10.528 1.00 0.87 C ATOM 291 OE1 GLU A 68 -1.339 -3.971 10.711 1.00 1.47 O ATOM 292 OE2 GLU A 68 -0.643 -2.018 11.419 1.00 1.19 O ATOM 0 H GLU A 68 -0.039 -3.200 6.808 1.00 0.08 H new ATOM 0 HA GLU A 68 2.344 -2.042 7.753 1.00 0.09 H new ATOM 0 HB2 GLU A 68 0.967 -4.449 8.977 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.849 -3.175 9.795 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.078 -1.556 9.075 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.822 -2.897 8.395 1.00 0.21 H new ATOM 299 N GLU A 69 2.505 -5.157 6.737 1.00 0.10 N ATOM 300 CA GLU A 69 3.401 -6.250 6.378 1.00 0.12 C ATOM 301 C GLU A 69 4.440 -5.759 5.386 1.00 0.11 C ATOM 302 O GLU A 69 5.605 -6.153 5.423 1.00 0.14 O ATOM 303 CB GLU A 69 2.603 -7.394 5.760 1.00 0.15 C ATOM 304 CG GLU A 69 1.749 -8.162 6.748 1.00 0.25 C ATOM 305 CD GLU A 69 2.418 -9.437 7.211 1.00 0.81 C ATOM 306 OE1 GLU A 69 3.508 -9.769 6.691 1.00 1.34 O ATOM 307 OE2 GLU A 69 1.849 -10.124 8.083 1.00 1.21 O ATOM 0 H GLU A 69 1.532 -5.313 6.474 1.00 0.10 H new ATOM 0 HA GLU A 69 3.903 -6.608 7.277 1.00 0.12 H new ATOM 0 HB2 GLU A 69 1.960 -6.992 4.977 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.295 -8.086 5.280 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.538 -7.530 7.611 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.791 -8.403 6.287 1.00 0.25 H new ATOM 314 N PHE A 70 3.990 -4.885 4.503 1.00 0.09 N ATOM 315 CA PHE A 70 4.824 -4.314 3.491 1.00 0.09 C ATOM 316 C PHE A 70 5.658 -3.196 4.106 1.00 0.08 C ATOM 317 O PHE A 70 6.840 -3.047 3.810 1.00 0.10 O ATOM 318 CB PHE A 70 3.936 -3.795 2.370 1.00 0.09 C ATOM 319 CG PHE A 70 4.661 -3.147 1.244 1.00 0.09 C ATOM 320 CD1 PHE A 70 4.967 -1.813 1.313 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.012 -3.863 0.111 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.615 -1.186 0.278 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.669 -3.243 -0.933 1.00 0.13 C ATOM 324 CZ PHE A 70 5.970 -1.897 -0.850 1.00 0.13 C ATOM 0 H PHE A 70 3.025 -4.557 4.478 1.00 0.09 H new ATOM 0 HA PHE A 70 5.506 -5.058 3.079 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.351 -4.626 1.976 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.230 -3.078 2.788 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.695 -1.248 2.192 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.770 -4.913 0.044 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.848 -0.134 0.347 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.947 -3.808 -1.811 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.481 -1.404 -1.664 1.00 0.13 H new ATOM 334 N LEU A 71 5.009 -2.406 4.959 1.00 0.07 N ATOM 335 CA LEU A 71 5.648 -1.318 5.670 1.00 0.08 C ATOM 336 C LEU A 71 6.827 -1.795 6.512 1.00 0.08 C ATOM 337 O LEU A 71 7.935 -1.275 6.391 1.00 0.09 O ATOM 338 CB LEU A 71 4.627 -0.601 6.548 1.00 0.09 C ATOM 339 CG LEU A 71 4.112 0.708 5.966 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.634 1.643 7.048 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.198 1.367 5.165 1.00 0.10 C ATOM 0 H LEU A 71 4.017 -2.510 5.173 1.00 0.07 H new ATOM 0 HA LEU A 71 6.042 -0.625 4.927 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.781 -1.267 6.720 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.078 -0.401 7.520 1.00 0.09 H new ATOM 0 HG LEU A 71 3.264 0.481 5.320 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.273 2.567 6.597 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.825 1.171 7.605 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.458 1.867 7.725 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.826 2.304 4.750 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.053 1.570 5.809 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.504 0.706 4.354 1.00 0.10 H new ATOM 353 N GLU A 72 6.573 -2.768 7.377 1.00 0.08 N ATOM 354 CA GLU A 72 7.633 -3.403 8.169 1.00 0.11 C ATOM 355 C GLU A 72 8.745 -3.877 7.271 1.00 0.09 C ATOM 356 O GLU A 72 9.923 -3.642 7.532 1.00 0.12 O ATOM 357 CB GLU A 72 7.094 -4.598 8.940 1.00 0.19 C ATOM 358 CG GLU A 72 6.034 -4.206 9.922 1.00 0.26 C ATOM 359 CD GLU A 72 6.566 -3.271 10.985 1.00 0.59 C ATOM 360 OE1 GLU A 72 7.358 -3.725 11.839 1.00 0.89 O ATOM 361 OE2 GLU A 72 6.219 -2.076 10.959 1.00 1.13 O ATOM 0 H GLU A 72 5.640 -3.140 7.553 1.00 0.08 H new ATOM 0 HA GLU A 72 8.010 -2.658 8.870 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.686 -5.326 8.239 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.913 -5.087 9.468 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.211 -3.724 9.394 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.629 -5.101 10.395 1.00 0.26 H new ATOM 368 N LEU A 73 8.345 -4.562 6.219 1.00 0.10 N ATOM 369 CA LEU A 73 9.276 -5.019 5.199 1.00 0.11 C ATOM 370 C LEU A 73 10.125 -3.863 4.701 1.00 0.10 C ATOM 371 O LEU A 73 11.346 -3.966 4.660 1.00 0.12 O ATOM 372 CB LEU A 73 8.522 -5.635 4.025 1.00 0.14 C ATOM 373 CG LEU A 73 9.399 -6.095 2.864 1.00 0.20 C ATOM 374 CD1 LEU A 73 10.051 -7.427 3.169 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.593 -6.185 1.589 1.00 0.46 C ATOM 0 H LEU A 73 7.373 -4.818 6.045 1.00 0.10 H new ATOM 0 HA LEU A 73 9.923 -5.774 5.645 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.949 -6.488 4.388 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.804 -4.905 3.651 1.00 0.14 H new ATOM 0 HG LEU A 73 10.186 -5.354 2.726 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.670 -7.731 2.325 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.673 -7.332 4.059 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.280 -8.178 3.343 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.237 -6.515 0.774 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.781 -6.900 1.722 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.179 -5.205 1.351 1.00 0.46 H new ATOM 387 N CYS A 74 9.477 -2.761 4.348 1.00 0.09 N ATOM 388 CA CYS A 74 10.195 -1.583 3.883 1.00 0.10 C ATOM 389 C CYS A 74 11.205 -1.128 4.922 1.00 0.11 C ATOM 390 O CYS A 74 12.364 -0.926 4.596 1.00 0.14 O ATOM 391 CB CYS A 74 9.233 -0.450 3.545 1.00 0.10 C ATOM 392 SG CYS A 74 8.099 -0.856 2.211 1.00 0.11 S ATOM 0 H CYS A 74 8.463 -2.658 4.374 1.00 0.09 H new ATOM 0 HA CYS A 74 10.730 -1.855 2.973 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.659 -0.192 4.435 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.807 0.435 3.268 1.00 0.10 H new ATOM 0 HG CYS A 74 7.295 -1.801 2.598 1.00 0.11 H new ATOM 398 N LYS A 75 10.788 -1.041 6.185 1.00 0.11 N ATOM 399 CA LYS A 75 11.686 -0.637 7.266 1.00 0.12 C ATOM 400 C LYS A 75 12.925 -1.531 7.306 1.00 0.13 C ATOM 401 O LYS A 75 13.973 -1.142 7.820 1.00 0.16 O ATOM 402 CB LYS A 75 10.964 -0.732 8.608 1.00 0.13 C ATOM 403 CG LYS A 75 9.725 0.121 8.707 1.00 0.18 C ATOM 404 CD LYS A 75 8.999 -0.159 10.004 1.00 0.20 C ATOM 405 CE LYS A 75 7.721 0.642 10.110 1.00 0.30 C ATOM 406 NZ LYS A 75 7.019 0.387 11.396 1.00 0.32 N ATOM 0 H LYS A 75 9.834 -1.245 6.484 1.00 0.11 H new ATOM 0 HA LYS A 75 11.994 0.392 7.081 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.691 -1.772 8.787 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.654 -0.443 9.400 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.996 1.176 8.654 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.067 -0.082 7.862 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.769 -1.222 10.071 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.650 0.080 10.845 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.949 1.704 10.024 1.00 0.30 H new ATOM 0 HE3 LYS A 75 7.062 0.389 9.279 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 6.423 1.205 11.634 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.423 -0.460 11.304 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.719 0.237 12.150 1.00 0.32 H new ATOM 420 N MET A 76 12.791 -2.726 6.750 1.00 0.12 N ATOM 421 CA MET A 76 13.861 -3.700 6.755 1.00 0.13 C ATOM 422 C MET A 76 14.788 -3.516 5.555 1.00 0.14 C ATOM 423 O MET A 76 16.001 -3.667 5.682 1.00 0.16 O ATOM 424 CB MET A 76 13.272 -5.113 6.765 1.00 0.14 C ATOM 425 CG MET A 76 12.483 -5.425 8.023 1.00 0.15 C ATOM 426 SD MET A 76 12.151 -7.184 8.232 1.00 0.21 S ATOM 427 CE MET A 76 11.119 -7.504 6.807 1.00 0.40 C ATOM 0 H MET A 76 11.940 -3.042 6.286 1.00 0.12 H new ATOM 0 HA MET A 76 14.456 -3.551 7.656 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.623 -5.235 5.898 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.080 -5.837 6.662 1.00 0.14 H new ATOM 0 HG2 MET A 76 13.034 -5.060 8.890 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.537 -4.884 7.995 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.976 -8.579 6.695 1.00 0.40 H new ATOM 0 HE2 MET A 76 10.151 -7.022 6.943 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.600 -7.107 5.913 1.00 0.40 H new ATOM 437 N GLN A 77 14.231 -3.184 4.390 1.00 0.14 N ATOM 438 CA GLN A 77 15.029 -3.095 3.172 1.00 0.15 C ATOM 439 C GLN A 77 15.319 -1.653 2.726 1.00 0.16 C ATOM 440 O GLN A 77 16.239 -1.431 1.938 1.00 0.22 O ATOM 441 CB GLN A 77 14.348 -3.839 2.020 1.00 0.19 C ATOM 442 CG GLN A 77 13.002 -4.470 2.345 1.00 0.21 C ATOM 443 CD GLN A 77 13.025 -5.982 2.296 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.843 -6.589 1.245 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.202 -6.601 3.444 1.00 0.25 N ATOM 0 H GLN A 77 13.240 -2.975 4.266 1.00 0.14 H new ATOM 0 HA GLN A 77 15.983 -3.560 3.419 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.212 -3.143 1.193 1.00 0.19 H new ATOM 0 HB3 GLN A 77 15.020 -4.622 1.670 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.688 -4.150 3.339 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.256 -4.101 1.641 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.350 -6.061 4.297 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.191 -7.620 3.481 1.00 0.25 H new ATOM 454 N THR A 78 14.561 -0.678 3.214 1.00 0.17 N ATOM 455 CA THR A 78 14.689 0.692 2.717 1.00 0.22 C ATOM 456 C THR A 78 15.541 1.532 3.647 1.00 0.30 C ATOM 457 O THR A 78 15.179 2.655 3.980 1.00 0.32 O ATOM 458 CB THR A 78 13.324 1.407 2.537 1.00 0.17 C ATOM 459 OG1 THR A 78 12.651 1.551 3.791 1.00 0.14 O ATOM 460 CG2 THR A 78 12.431 0.659 1.571 1.00 0.22 C ATOM 0 H THR A 78 13.859 -0.804 3.944 1.00 0.17 H new ATOM 0 HA THR A 78 15.162 0.600 1.739 1.00 0.22 H new ATOM 0 HB THR A 78 13.533 2.395 2.127 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.718 0.714 4.296 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.483 1.187 1.468 1.00 0.22 H new ATOM 0 HG22 THR A 78 12.919 0.597 0.598 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.247 -0.346 1.950 1.00 0.22 H new ATOM 468 N ALA A 79 16.650 0.977 4.101 1.00 0.38 N ATOM 469 CA ALA A 79 17.610 1.713 4.913 1.00 0.50 C ATOM 470 C ALA A 79 17.925 3.094 4.354 1.00 0.52 C ATOM 471 O ALA A 79 18.011 4.073 5.094 1.00 0.55 O ATOM 472 CB ALA A 79 18.883 0.913 4.995 1.00 0.67 C ATOM 0 H ALA A 79 16.913 0.008 3.920 1.00 0.38 H new ATOM 0 HA ALA A 79 17.165 1.860 5.897 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.613 1.451 5.600 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.676 -0.055 5.452 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.283 0.763 3.992 1.00 0.67 H new ATOM 478 N ASP A 80 18.112 3.160 3.046 1.00 0.53 N ATOM 479 CA ASP A 80 18.468 4.388 2.386 1.00 0.57 C ATOM 480 C ASP A 80 17.258 5.300 2.194 1.00 0.52 C ATOM 481 O ASP A 80 17.398 6.475 1.850 1.00 0.57 O ATOM 482 CB ASP A 80 19.119 4.061 1.050 1.00 0.65 C ATOM 483 CG ASP A 80 18.249 3.209 0.147 1.00 1.21 C ATOM 484 OD1 ASP A 80 18.332 1.968 0.232 1.00 1.94 O ATOM 485 OD2 ASP A 80 17.485 3.772 -0.661 1.00 1.46 O ATOM 0 H ASP A 80 18.019 2.360 2.420 1.00 0.53 H new ATOM 0 HA ASP A 80 19.174 4.931 3.014 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.362 4.991 0.536 1.00 0.65 H new ATOM 0 HB3 ASP A 80 20.060 3.541 1.231 1.00 0.65 H new ATOM 490 N HIS A 81 16.073 4.759 2.432 1.00 0.43 N ATOM 491 CA HIS A 81 14.843 5.549 2.394 1.00 0.38 C ATOM 492 C HIS A 81 13.927 5.202 3.556 1.00 0.29 C ATOM 493 O HIS A 81 12.859 4.630 3.360 1.00 0.23 O ATOM 494 CB HIS A 81 14.078 5.351 1.081 1.00 0.41 C ATOM 495 CG HIS A 81 14.587 6.175 -0.060 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.202 7.485 -0.277 1.00 0.99 N ATOM 497 CD2 HIS A 81 15.435 5.865 -1.066 1.00 0.70 C ATOM 498 CE1 HIS A 81 14.794 7.938 -1.366 1.00 1.08 C ATOM 499 NE2 HIS A 81 15.547 6.975 -1.862 1.00 0.86 N ATOM 0 H HIS A 81 15.933 3.774 2.655 1.00 0.43 H new ATOM 0 HA HIS A 81 15.146 6.593 2.471 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.125 4.298 0.802 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.028 5.591 1.247 1.00 0.41 H new ATOM 0 HD2 HIS A 81 15.932 4.918 -1.215 1.00 0.70 H new ATOM 0 HE1 HIS A 81 14.681 8.929 -1.781 1.00 1.08 H new ATOM 0 HE2 HIS A 81 16.120 7.045 -2.703 1.00 0.86 H new ATOM 508 N PRO A 82 14.320 5.561 4.782 1.00 0.32 N ATOM 509 CA PRO A 82 13.498 5.319 5.965 1.00 0.29 C ATOM 510 C PRO A 82 12.244 6.178 5.940 1.00 0.26 C ATOM 511 O PRO A 82 11.253 5.877 6.602 1.00 0.29 O ATOM 512 CB PRO A 82 14.410 5.713 7.123 1.00 0.38 C ATOM 513 CG PRO A 82 15.406 6.649 6.540 1.00 0.44 C ATOM 514 CD PRO A 82 15.585 6.234 5.114 1.00 0.41 C ATOM 0 HA PRO A 82 13.148 4.289 6.035 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.845 6.190 7.924 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.898 4.839 7.554 1.00 0.38 H new ATOM 0 HG2 PRO A 82 15.056 7.679 6.604 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.351 6.599 7.081 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.763 7.093 4.467 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.437 5.564 4.996 1.00 0.41 H new ATOM 522 N GLU A 83 12.308 7.235 5.137 1.00 0.23 N ATOM 523 CA GLU A 83 11.200 8.164 4.935 1.00 0.21 C ATOM 524 C GLU A 83 10.093 7.523 4.112 1.00 0.17 C ATOM 525 O GLU A 83 8.975 8.036 4.038 1.00 0.18 O ATOM 526 CB GLU A 83 11.701 9.399 4.203 1.00 0.28 C ATOM 527 CG GLU A 83 12.448 9.039 2.948 1.00 0.46 C ATOM 528 CD GLU A 83 12.924 10.238 2.161 1.00 0.55 C ATOM 529 OE1 GLU A 83 13.572 11.121 2.759 1.00 1.01 O ATOM 530 OE2 GLU A 83 12.632 10.317 0.950 1.00 0.95 O ATOM 0 H GLU A 83 13.142 7.474 4.601 1.00 0.23 H new ATOM 0 HA GLU A 83 10.801 8.435 5.912 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.856 10.041 3.952 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.352 9.973 4.862 1.00 0.28 H new ATOM 0 HG2 GLU A 83 13.308 8.423 3.211 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.803 8.431 2.313 1.00 0.46 H new ATOM 537 N VAL A 84 10.432 6.411 3.483 1.00 0.15 N ATOM 538 CA VAL A 84 9.526 5.704 2.605 1.00 0.14 C ATOM 539 C VAL A 84 8.332 5.164 3.367 1.00 0.11 C ATOM 540 O VAL A 84 7.216 5.181 2.865 1.00 0.11 O ATOM 541 CB VAL A 84 10.278 4.584 1.861 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.433 3.350 1.686 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.762 5.095 0.519 1.00 0.21 C ATOM 0 H VAL A 84 11.349 5.974 3.570 1.00 0.15 H new ATOM 0 HA VAL A 84 9.140 6.405 1.865 1.00 0.14 H new ATOM 0 HB VAL A 84 11.135 4.297 2.470 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.006 2.589 1.156 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.139 2.968 2.664 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.541 3.598 1.111 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.293 4.299 -0.003 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.908 5.414 -0.078 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.434 5.940 0.672 1.00 0.21 H new ATOM 553 N VAL A 85 8.567 4.710 4.580 1.00 0.09 N ATOM 554 CA VAL A 85 7.501 4.223 5.421 1.00 0.09 C ATOM 555 C VAL A 85 6.530 5.337 5.807 1.00 0.10 C ATOM 556 O VAL A 85 5.340 5.202 5.587 1.00 0.10 O ATOM 557 CB VAL A 85 8.068 3.531 6.658 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.984 3.290 7.684 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.745 2.242 6.234 1.00 0.11 C ATOM 0 H VAL A 85 9.493 4.669 5.005 1.00 0.09 H new ATOM 0 HA VAL A 85 6.934 3.490 4.848 1.00 0.09 H new ATOM 0 HB VAL A 85 8.809 4.173 7.133 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.412 2.796 8.556 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.549 4.243 7.984 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.209 2.657 7.252 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.154 1.740 7.111 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.017 1.591 5.749 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.552 2.467 5.536 1.00 0.11 H new ATOM 569 N PRO A 86 7.012 6.438 6.397 1.00 0.12 N ATOM 570 CA PRO A 86 6.188 7.625 6.635 1.00 0.14 C ATOM 571 C PRO A 86 5.436 8.073 5.380 1.00 0.14 C ATOM 572 O PRO A 86 4.274 8.452 5.453 1.00 0.18 O ATOM 573 CB PRO A 86 7.178 8.707 7.055 1.00 0.18 C ATOM 574 CG PRO A 86 8.493 8.034 7.275 1.00 0.18 C ATOM 575 CD PRO A 86 8.360 6.579 6.938 1.00 0.14 C ATOM 0 HA PRO A 86 5.424 7.422 7.385 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.261 9.474 6.285 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.842 9.205 7.965 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.261 8.496 6.654 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.808 8.153 8.312 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.111 6.272 6.210 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.498 5.955 7.821 1.00 0.14 H new ATOM 583 N PHE A 87 6.108 8.009 4.231 1.00 0.13 N ATOM 584 CA PHE A 87 5.518 8.383 2.947 1.00 0.14 C ATOM 585 C PHE A 87 4.448 7.372 2.560 1.00 0.12 C ATOM 586 O PHE A 87 3.399 7.717 2.008 1.00 0.12 O ATOM 587 CB PHE A 87 6.626 8.413 1.885 1.00 0.18 C ATOM 588 CG PHE A 87 6.250 9.032 0.566 1.00 0.35 C ATOM 589 CD1 PHE A 87 4.974 9.499 0.340 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.191 9.152 -0.444 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.630 10.075 -0.867 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.857 9.724 -1.656 1.00 1.01 C ATOM 593 CZ PHE A 87 5.576 10.189 -1.867 1.00 0.69 C ATOM 0 H PHE A 87 7.077 7.696 4.165 1.00 0.13 H new ATOM 0 HA PHE A 87 5.056 9.368 3.021 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.478 8.958 2.291 1.00 0.18 H new ATOM 0 HB3 PHE A 87 6.958 7.391 1.704 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.231 9.413 1.119 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.197 8.794 -0.282 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.625 10.435 -1.029 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.598 9.807 -2.437 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.313 10.641 -2.812 1.00 0.69 H new ATOM 603 N LEU A 88 4.699 6.135 2.934 1.00 0.10 N ATOM 604 CA LEU A 88 3.820 5.040 2.608 1.00 0.09 C ATOM 605 C LEU A 88 2.612 5.144 3.487 1.00 0.08 C ATOM 606 O LEU A 88 1.464 5.087 3.041 1.00 0.09 O ATOM 607 CB LEU A 88 4.522 3.723 2.898 1.00 0.09 C ATOM 608 CG LEU A 88 4.989 2.943 1.689 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.818 1.761 2.130 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.805 2.469 0.886 1.00 0.10 C ATOM 0 H LEU A 88 5.521 5.864 3.474 1.00 0.10 H new ATOM 0 HA LEU A 88 3.542 5.079 1.555 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.386 3.926 3.531 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.845 3.092 3.474 1.00 0.09 H new ATOM 0 HG LEU A 88 5.599 3.594 1.064 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.151 1.203 1.255 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.686 2.113 2.688 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.216 1.112 2.766 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.154 1.909 0.019 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.179 1.826 1.505 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.224 3.329 0.553 1.00 0.10 H new ATOM 622 N TYR A 89 2.919 5.328 4.757 1.00 0.08 N ATOM 623 CA TYR A 89 1.947 5.432 5.796 1.00 0.09 C ATOM 624 C TYR A 89 1.008 6.571 5.486 1.00 0.09 C ATOM 625 O TYR A 89 -0.201 6.416 5.480 1.00 0.11 O ATOM 626 CB TYR A 89 2.677 5.723 7.105 1.00 0.10 C ATOM 627 CG TYR A 89 2.372 4.747 8.182 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.083 4.332 8.368 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.362 4.246 9.003 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.758 3.436 9.346 1.00 0.19 C ATOM 631 CE2 TYR A 89 3.062 3.344 9.993 1.00 0.20 C ATOM 632 CZ TYR A 89 1.753 2.935 10.167 1.00 0.22 C ATOM 633 OH TYR A 89 1.442 2.027 11.157 1.00 0.27 O ATOM 0 H TYR A 89 3.880 5.410 5.089 1.00 0.08 H new ATOM 0 HA TYR A 89 1.377 4.506 5.877 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.751 5.725 6.920 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.411 6.723 7.446 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.305 4.721 7.728 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.384 4.567 8.865 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.267 3.121 9.478 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.843 2.957 10.631 1.00 0.20 H new ATOM 0 HH TYR A 89 2.257 1.777 11.640 1.00 0.27 H new ATOM 643 N ASN A 90 1.619 7.701 5.195 1.00 0.09 N ATOM 644 CA ASN A 90 0.932 8.909 4.788 1.00 0.09 C ATOM 645 C ASN A 90 -0.049 8.636 3.674 1.00 0.09 C ATOM 646 O ASN A 90 -1.247 8.849 3.844 1.00 0.10 O ATOM 647 CB ASN A 90 2.004 9.907 4.354 1.00 0.11 C ATOM 648 CG ASN A 90 1.542 10.978 3.402 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.958 11.978 3.801 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.875 10.793 2.134 1.00 0.40 N ATOM 0 H ASN A 90 2.633 7.807 5.236 1.00 0.09 H new ATOM 0 HA ASN A 90 0.346 9.312 5.614 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.411 10.387 5.244 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.821 9.357 3.887 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.645 11.502 1.438 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.361 9.941 1.853 1.00 0.40 H new ATOM 657 N ARG A 91 0.458 8.140 2.557 1.00 0.08 N ATOM 658 CA ARG A 91 -0.371 7.846 1.396 1.00 0.10 C ATOM 659 C ARG A 91 -1.553 6.964 1.769 1.00 0.09 C ATOM 660 O ARG A 91 -2.673 7.202 1.330 1.00 0.11 O ATOM 661 CB ARG A 91 0.462 7.164 0.309 1.00 0.13 C ATOM 662 CG ARG A 91 1.242 8.129 -0.558 1.00 0.16 C ATOM 663 CD ARG A 91 0.299 9.024 -1.338 1.00 0.29 C ATOM 664 NE ARG A 91 1.004 10.080 -2.059 1.00 0.88 N ATOM 665 CZ ARG A 91 0.633 11.361 -2.047 1.00 1.05 C ATOM 666 NH1 ARG A 91 -0.449 11.731 -1.374 1.00 1.35 N ATOM 667 NH2 ARG A 91 1.331 12.264 -2.722 1.00 1.64 N ATOM 0 H ARG A 91 1.448 7.931 2.428 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.757 8.791 1.015 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.158 6.469 0.780 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.199 6.573 -0.325 1.00 0.13 H new ATOM 0 HG2 ARG A 91 1.898 8.737 0.064 1.00 0.16 H new ATOM 0 HG3 ARG A 91 1.879 7.575 -1.247 1.00 0.16 H new ATOM 0 HD2 ARG A 91 -0.268 8.420 -2.046 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.421 9.473 -0.654 1.00 0.29 H new ATOM 0 HE ARG A 91 1.828 9.823 -2.603 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.996 11.036 -0.866 1.00 1.35 H new ATOM 0 HH12 ARG A 91 -0.733 12.710 -1.364 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.154 11.980 -3.253 1.00 1.64 H new ATOM 0 HH22 ARG A 91 1.044 13.243 -2.711 1.00 1.64 H new ATOM 681 N GLN A 92 -1.297 5.959 2.587 1.00 0.09 N ATOM 682 CA GLN A 92 -2.324 5.013 2.981 1.00 0.12 C ATOM 683 C GLN A 92 -3.292 5.652 3.969 1.00 0.11 C ATOM 684 O GLN A 92 -4.506 5.481 3.868 1.00 0.13 O ATOM 685 CB GLN A 92 -1.665 3.785 3.591 1.00 0.18 C ATOM 686 CG GLN A 92 -2.520 2.543 3.511 1.00 0.35 C ATOM 687 CD GLN A 92 -3.324 2.276 4.765 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.664 3.179 5.526 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.638 1.019 4.976 1.00 0.36 N ATOM 0 H GLN A 92 -0.379 5.777 2.994 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.895 4.714 2.102 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.719 3.599 3.082 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.431 3.989 4.636 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.202 2.636 2.666 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.880 1.684 3.311 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.335 0.300 4.318 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.185 0.761 5.797 1.00 0.36 H new ATOM 698 N GLN A 93 -2.744 6.399 4.909 1.00 0.12 N ATOM 699 CA GLN A 93 -3.537 7.089 5.913 1.00 0.14 C ATOM 700 C GLN A 93 -4.481 8.095 5.255 1.00 0.16 C ATOM 701 O GLN A 93 -5.597 8.319 5.726 1.00 0.20 O ATOM 702 CB GLN A 93 -2.621 7.802 6.914 1.00 0.15 C ATOM 703 CG GLN A 93 -1.911 6.868 7.881 1.00 0.15 C ATOM 704 CD GLN A 93 -2.838 5.881 8.552 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.440 6.172 9.585 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.920 4.692 7.990 1.00 0.22 N ATOM 0 H GLN A 93 -1.739 6.545 4.999 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.135 6.350 6.446 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.874 8.373 6.363 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.212 8.518 7.485 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.137 6.320 7.343 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.409 7.461 8.645 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.403 4.496 7.133 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.501 3.967 8.412 1.00 0.22 H new ATOM 715 N ARG A 94 -4.018 8.700 4.166 1.00 0.14 N ATOM 716 CA ARG A 94 -4.794 9.707 3.451 1.00 0.15 C ATOM 717 C ARG A 94 -5.549 9.115 2.262 1.00 0.14 C ATOM 718 O ARG A 94 -6.257 9.823 1.545 1.00 0.19 O ATOM 719 CB ARG A 94 -3.868 10.829 3.003 1.00 0.21 C ATOM 720 CG ARG A 94 -2.861 10.428 1.951 1.00 0.76 C ATOM 721 CD ARG A 94 -1.625 11.318 2.003 1.00 0.64 C ATOM 722 NE ARG A 94 -1.954 12.736 1.817 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.838 13.672 2.763 1.00 1.04 C ATOM 724 NH1 ARG A 94 -1.474 13.349 3.999 1.00 1.60 N ATOM 725 NH2 ARG A 94 -2.110 14.936 2.471 1.00 1.40 N ATOM 0 H ARG A 94 -3.103 8.509 3.757 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.548 10.105 4.130 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.473 11.649 2.615 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.333 11.211 3.873 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.570 9.388 2.100 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.318 10.493 0.963 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.124 11.186 2.962 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -0.922 11.006 1.231 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.295 13.027 0.901 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -1.279 12.376 4.235 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -1.389 14.074 4.712 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.406 15.189 1.528 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -2.023 15.655 3.189 1.00 1.40 H new ATOM 739 N ALA A 95 -5.401 7.820 2.064 1.00 0.12 N ATOM 740 CA ALA A 95 -6.117 7.119 0.995 1.00 0.12 C ATOM 741 C ALA A 95 -7.595 6.980 1.346 1.00 0.13 C ATOM 742 O ALA A 95 -7.998 7.235 2.482 1.00 0.17 O ATOM 743 CB ALA A 95 -5.499 5.749 0.736 1.00 0.13 C ATOM 0 H ALA A 95 -4.793 7.224 2.625 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.030 7.709 0.083 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.047 5.247 -0.061 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.457 5.870 0.440 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.550 5.149 1.645 1.00 0.13 H new ATOM 749 N HIS A 96 -8.407 6.605 0.361 1.00 0.12 N ATOM 750 CA HIS A 96 -9.842 6.435 0.560 1.00 0.13 C ATOM 751 C HIS A 96 -10.121 5.227 1.428 1.00 0.13 C ATOM 752 O HIS A 96 -9.701 4.124 1.106 1.00 0.12 O ATOM 753 CB HIS A 96 -10.526 6.234 -0.795 1.00 0.14 C ATOM 754 CG HIS A 96 -11.962 6.650 -0.815 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.868 6.136 0.077 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.593 7.534 -1.628 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.021 6.709 -0.208 1.00 0.23 C ATOM 758 NE2 HIS A 96 -13.905 7.564 -1.234 1.00 0.25 N ATOM 0 H HIS A 96 -8.092 6.412 -0.590 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.229 7.327 1.052 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -9.983 6.799 -1.553 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.458 5.182 -1.073 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.148 8.104 -2.430 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.943 6.514 0.319 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.650 8.128 -1.643 1.00 0.25 H new ATOM 766 N SER A 97 -10.825 5.450 2.534 1.00 0.16 N ATOM 767 CA SER A 97 -11.251 4.374 3.420 1.00 0.20 C ATOM 768 C SER A 97 -11.963 3.260 2.649 1.00 0.18 C ATOM 769 O SER A 97 -11.742 2.084 2.923 1.00 0.18 O ATOM 770 CB SER A 97 -12.163 4.933 4.517 1.00 0.29 C ATOM 771 OG SER A 97 -12.516 3.936 5.461 1.00 1.32 O ATOM 0 H SER A 97 -11.115 6.379 2.840 1.00 0.16 H new ATOM 0 HA SER A 97 -10.362 3.940 3.878 1.00 0.20 H new ATOM 0 HB2 SER A 97 -11.659 5.755 5.026 1.00 0.29 H new ATOM 0 HB3 SER A 97 -13.066 5.344 4.066 1.00 0.29 H new ATOM 0 HG SER A 97 -13.097 4.326 6.147 1.00 1.32 H new ATOM 777 N LEU A 98 -12.814 3.627 1.688 1.00 0.18 N ATOM 778 CA LEU A 98 -13.460 2.642 0.824 1.00 0.18 C ATOM 779 C LEU A 98 -12.442 1.823 0.065 1.00 0.15 C ATOM 780 O LEU A 98 -12.576 0.614 -0.071 1.00 0.18 O ATOM 781 CB LEU A 98 -14.354 3.326 -0.194 1.00 0.21 C ATOM 782 CG LEU A 98 -15.726 3.743 0.310 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.553 4.262 -0.848 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.431 2.583 1.000 1.00 0.61 C ATOM 0 H LEU A 98 -13.069 4.595 1.491 1.00 0.18 H new ATOM 0 HA LEU A 98 -14.047 1.992 1.472 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.839 4.212 -0.566 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.487 2.655 -1.043 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.604 4.537 1.046 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.537 4.561 -0.487 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.054 5.122 -1.295 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.664 3.477 -1.596 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.410 2.909 1.351 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.553 1.761 0.295 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.835 2.248 1.849 1.00 0.61 H new ATOM 796 N PHE A 99 -11.429 2.507 -0.426 1.00 0.12 N ATOM 797 CA PHE A 99 -10.370 1.873 -1.191 1.00 0.11 C ATOM 798 C PHE A 99 -9.510 1.015 -0.273 1.00 0.11 C ATOM 799 O PHE A 99 -9.120 -0.100 -0.624 1.00 0.12 O ATOM 800 CB PHE A 99 -9.507 2.919 -1.896 1.00 0.12 C ATOM 801 CG PHE A 99 -8.273 2.346 -2.520 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.373 1.456 -3.569 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.017 2.696 -2.053 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.241 0.918 -4.151 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.882 2.166 -2.627 1.00 0.20 C ATOM 806 CZ PHE A 99 -5.992 1.275 -3.677 1.00 0.18 C ATOM 0 H PHE A 99 -11.315 3.514 -0.308 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.825 1.239 -1.952 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.101 3.410 -2.667 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.219 3.687 -1.178 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.348 1.176 -3.940 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.926 3.391 -1.231 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.331 0.222 -4.972 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.907 2.447 -2.256 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.103 0.858 -4.127 1.00 0.18 H new ATOM 816 N LEU A 100 -9.233 1.534 0.910 1.00 0.12 N ATOM 817 CA LEU A 100 -8.491 0.803 1.919 1.00 0.14 C ATOM 818 C LEU A 100 -9.271 -0.417 2.367 1.00 0.16 C ATOM 819 O LEU A 100 -8.702 -1.372 2.880 1.00 0.21 O ATOM 820 CB LEU A 100 -8.212 1.709 3.112 1.00 0.17 C ATOM 821 CG LEU A 100 -7.469 2.988 2.772 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.670 4.016 3.867 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.998 2.689 2.583 1.00 0.22 C ATOM 0 H LEU A 100 -9.516 2.471 1.197 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.545 0.473 1.490 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -9.160 1.969 3.584 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.632 1.152 3.847 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.865 3.397 1.843 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -7.132 4.929 3.612 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.733 4.237 3.968 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -7.290 3.622 4.810 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.468 3.610 2.339 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.591 2.269 3.503 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.874 1.973 1.771 1.00 0.22 H new ATOM 835 N ALA A 101 -10.580 -0.381 2.184 1.00 0.16 N ATOM 836 CA ALA A 101 -11.410 -1.536 2.461 1.00 0.19 C ATOM 837 C ALA A 101 -11.955 -2.111 1.170 1.00 0.21 C ATOM 838 O ALA A 101 -13.010 -2.741 1.162 1.00 0.37 O ATOM 839 CB ALA A 101 -12.554 -1.174 3.397 1.00 0.23 C ATOM 0 H ALA A 101 -11.088 0.436 1.845 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.792 -2.288 2.952 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -13.161 -2.059 3.588 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.150 -0.801 4.338 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.171 -0.403 2.936 1.00 0.23 H new ATOM 845 N SER A 102 -11.261 -1.850 0.068 1.00 0.13 N ATOM 846 CA SER A 102 -11.640 -2.424 -1.210 1.00 0.15 C ATOM 847 C SER A 102 -10.618 -3.460 -1.679 1.00 0.17 C ATOM 848 O SER A 102 -9.414 -3.338 -1.433 1.00 0.25 O ATOM 849 CB SER A 102 -11.804 -1.328 -2.265 1.00 0.18 C ATOM 850 OG SER A 102 -10.554 -0.827 -2.704 1.00 1.40 O ATOM 0 H SER A 102 -10.438 -1.248 0.037 1.00 0.13 H new ATOM 0 HA SER A 102 -12.597 -2.929 -1.075 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.356 -1.724 -3.117 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.397 -0.512 -1.852 1.00 0.18 H new ATOM 0 HG SER A 102 -9.908 -0.870 -1.969 1.00 1.40 H new ATOM 856 N ALA A 103 -11.149 -4.501 -2.321 1.00 0.20 N ATOM 857 CA ALA A 103 -10.377 -5.592 -2.904 1.00 0.21 C ATOM 858 C ALA A 103 -9.197 -5.122 -3.741 1.00 0.18 C ATOM 859 O ALA A 103 -8.166 -5.784 -3.765 1.00 0.19 O ATOM 860 CB ALA A 103 -11.291 -6.435 -3.771 1.00 0.27 C ATOM 0 H ALA A 103 -12.155 -4.609 -2.452 1.00 0.20 H new ATOM 0 HA ALA A 103 -9.967 -6.168 -2.074 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.722 -7.254 -4.211 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.098 -6.841 -3.161 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.711 -5.817 -4.565 1.00 0.27 H new ATOM 866 N GLU A 104 -9.358 -4.013 -4.453 1.00 0.17 N ATOM 867 CA GLU A 104 -8.308 -3.522 -5.329 1.00 0.17 C ATOM 868 C GLU A 104 -7.015 -3.264 -4.567 1.00 0.14 C ATOM 869 O GLU A 104 -5.942 -3.642 -5.025 1.00 0.14 O ATOM 870 CB GLU A 104 -8.736 -2.251 -6.028 1.00 0.22 C ATOM 871 CG GLU A 104 -7.905 -1.959 -7.257 1.00 0.30 C ATOM 872 CD GLU A 104 -8.149 -2.955 -8.377 1.00 0.97 C ATOM 873 OE1 GLU A 104 -7.651 -4.095 -8.290 1.00 1.70 O ATOM 874 OE2 GLU A 104 -8.841 -2.595 -9.355 1.00 1.29 O ATOM 0 H GLU A 104 -10.202 -3.441 -4.440 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.127 -4.300 -6.071 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.785 -2.332 -6.313 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.659 -1.414 -5.334 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -8.131 -0.954 -7.614 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -6.849 -1.972 -6.988 1.00 0.30 H new ATOM 881 N PHE A 105 -7.109 -2.636 -3.400 1.00 0.13 N ATOM 882 CA PHE A 105 -5.922 -2.362 -2.611 1.00 0.13 C ATOM 883 C PHE A 105 -5.295 -3.675 -2.175 1.00 0.12 C ATOM 884 O PHE A 105 -4.080 -3.806 -2.144 1.00 0.13 O ATOM 885 CB PHE A 105 -6.263 -1.495 -1.391 1.00 0.13 C ATOM 886 CG PHE A 105 -5.051 -0.973 -0.670 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.896 -0.697 -1.376 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.063 -0.750 0.702 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.776 -0.209 -0.738 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.941 -0.263 1.344 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.799 0.010 0.621 1.00 0.14 C ATOM 0 H PHE A 105 -7.984 -2.312 -2.987 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.210 -1.807 -3.222 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.875 -0.653 -1.713 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.866 -2.080 -0.696 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.870 -0.866 -2.442 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.957 -0.959 1.271 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.881 0.002 -1.304 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.958 -0.096 2.411 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.923 0.396 1.121 1.00 0.14 H new ATOM 901 N CYS A 106 -6.143 -4.653 -1.887 1.00 0.13 N ATOM 902 CA CYS A 106 -5.687 -5.988 -1.517 1.00 0.15 C ATOM 903 C CYS A 106 -4.956 -6.620 -2.684 1.00 0.15 C ATOM 904 O CYS A 106 -3.888 -7.207 -2.524 1.00 0.16 O ATOM 905 CB CYS A 106 -6.876 -6.856 -1.094 1.00 0.19 C ATOM 906 SG CYS A 106 -6.473 -8.600 -0.827 1.00 0.29 S ATOM 0 H CYS A 106 -7.157 -4.546 -1.903 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.002 -5.911 -0.673 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.299 -6.449 -0.175 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.650 -6.788 -1.858 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.931 -8.979 0.329 1.00 0.29 H new ATOM 912 N ASN A 107 -5.550 -6.480 -3.854 1.00 0.14 N ATOM 913 CA ASN A 107 -4.948 -6.916 -5.107 1.00 0.16 C ATOM 914 C ASN A 107 -3.558 -6.326 -5.258 1.00 0.15 C ATOM 915 O ASN A 107 -2.569 -7.043 -5.405 1.00 0.17 O ATOM 916 CB ASN A 107 -5.808 -6.442 -6.277 1.00 0.18 C ATOM 917 CG ASN A 107 -6.074 -7.540 -7.288 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.287 -8.480 -7.427 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.178 -7.424 -8.009 1.00 0.34 N ATOM 0 H ASN A 107 -6.472 -6.057 -3.966 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.882 -8.004 -5.101 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.758 -6.066 -5.896 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.311 -5.608 -6.774 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.405 -8.128 -8.711 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.802 -6.631 -7.862 1.00 0.34 H new ATOM 926 N ILE A 108 -3.510 -5.007 -5.172 1.00 0.13 N ATOM 927 CA ILE A 108 -2.295 -4.230 -5.341 1.00 0.13 C ATOM 928 C ILE A 108 -1.269 -4.587 -4.275 1.00 0.11 C ATOM 929 O ILE A 108 -0.086 -4.771 -4.560 1.00 0.12 O ATOM 930 CB ILE A 108 -2.667 -2.738 -5.250 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.478 -2.331 -6.480 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.439 -1.860 -5.085 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.330 -1.100 -6.265 1.00 0.17 C ATOM 0 H ILE A 108 -4.332 -4.435 -4.979 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.848 -4.450 -6.310 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.279 -2.592 -4.360 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.796 -2.150 -7.311 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.121 -3.161 -6.771 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.744 -0.815 -5.025 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.913 -2.138 -4.171 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.777 -1.996 -5.940 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.877 -0.871 -7.180 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.037 -1.284 -5.456 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.691 -0.256 -6.004 1.00 0.17 H new ATOM 945 N LEU A 109 -1.755 -4.701 -3.059 1.00 0.09 N ATOM 946 CA LEU A 109 -0.944 -5.047 -1.910 1.00 0.08 C ATOM 947 C LEU A 109 -0.346 -6.431 -2.031 1.00 0.09 C ATOM 948 O LEU A 109 0.865 -6.613 -1.936 1.00 0.10 O ATOM 949 CB LEU A 109 -1.806 -4.963 -0.674 1.00 0.08 C ATOM 950 CG LEU A 109 -1.791 -3.592 -0.018 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.792 -3.517 1.101 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.409 -3.278 0.498 1.00 0.07 C ATOM 0 H LEU A 109 -2.739 -4.554 -2.836 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.112 -4.345 -1.849 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.832 -5.220 -0.938 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.467 -5.706 0.047 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.067 -2.853 -0.770 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.760 -2.525 1.552 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.791 -3.705 0.708 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.552 -4.267 1.855 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.410 -2.294 0.966 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.116 -4.028 1.232 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.299 -3.285 -0.331 1.00 0.07 H new ATOM 964 N SER A 110 -1.205 -7.397 -2.247 1.00 0.10 N ATOM 965 CA SER A 110 -0.788 -8.772 -2.394 1.00 0.12 C ATOM 966 C SER A 110 0.207 -8.905 -3.536 1.00 0.12 C ATOM 967 O SER A 110 1.135 -9.713 -3.472 1.00 0.14 O ATOM 968 CB SER A 110 -1.999 -9.641 -2.637 1.00 0.15 C ATOM 969 OG SER A 110 -2.908 -9.563 -1.551 1.00 1.15 O ATOM 0 H SER A 110 -2.212 -7.254 -2.326 1.00 0.10 H new ATOM 0 HA SER A 110 -0.295 -9.099 -1.478 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.497 -9.329 -3.555 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.686 -10.675 -2.780 1.00 0.15 H new ATOM 0 HG SER A 110 -3.456 -8.756 -1.641 1.00 1.15 H new ATOM 975 N ARG A 111 0.002 -8.097 -4.574 1.00 0.11 N ATOM 976 CA ARG A 111 0.953 -7.990 -5.662 1.00 0.12 C ATOM 977 C ARG A 111 2.310 -7.581 -5.137 1.00 0.11 C ATOM 978 O ARG A 111 3.278 -8.327 -5.222 1.00 0.13 O ATOM 979 CB ARG A 111 0.503 -6.916 -6.648 1.00 0.16 C ATOM 980 CG ARG A 111 -0.630 -7.309 -7.561 1.00 0.26 C ATOM 981 CD ARG A 111 -0.978 -6.165 -8.500 1.00 0.99 C ATOM 982 NE ARG A 111 -2.276 -6.341 -9.145 1.00 1.81 N ATOM 983 CZ ARG A 111 -3.033 -5.332 -9.580 1.00 2.57 C ATOM 984 NH1 ARG A 111 -2.613 -4.075 -9.466 1.00 2.67 N ATOM 985 NH2 ARG A 111 -4.206 -5.584 -10.140 1.00 3.55 N ATOM 0 H ARG A 111 -0.822 -7.506 -4.678 1.00 0.11 H new ATOM 0 HA ARG A 111 1.011 -8.963 -6.150 1.00 0.12 H new ATOM 0 HB2 ARG A 111 0.203 -6.032 -6.085 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.357 -6.628 -7.261 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.350 -8.190 -8.139 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.504 -7.581 -6.969 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -0.978 -5.229 -7.941 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.206 -6.080 -9.264 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.625 -7.291 -9.270 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -1.706 -3.877 -9.043 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -3.198 -3.309 -9.801 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -4.528 -6.547 -10.238 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -4.787 -4.815 -10.474 1.00 3.55 H new ATOM 999 N VAL A 112 2.348 -6.408 -4.529 1.00 0.10 N ATOM 1000 CA VAL A 112 3.611 -5.782 -4.189 1.00 0.10 C ATOM 1001 C VAL A 112 4.328 -6.502 -3.074 1.00 0.11 C ATOM 1002 O VAL A 112 5.519 -6.682 -3.154 1.00 0.12 O ATOM 1003 CB VAL A 112 3.468 -4.296 -3.805 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.263 -3.444 -5.034 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.337 -4.080 -2.827 1.00 0.10 C ATOM 0 H VAL A 112 1.522 -5.873 -4.262 1.00 0.10 H new ATOM 0 HA VAL A 112 4.203 -5.849 -5.102 1.00 0.10 H new ATOM 0 HB VAL A 112 4.396 -3.995 -3.318 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.164 -2.399 -4.740 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.119 -3.554 -5.700 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.358 -3.762 -5.551 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.267 -3.021 -2.580 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.400 -4.411 -3.275 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.527 -4.653 -1.919 1.00 0.10 H new ATOM 1015 N LEU A 113 3.613 -6.904 -2.039 1.00 0.10 N ATOM 1016 CA LEU A 113 4.234 -7.599 -0.918 1.00 0.11 C ATOM 1017 C LEU A 113 4.979 -8.840 -1.373 1.00 0.12 C ATOM 1018 O LEU A 113 6.160 -9.030 -1.084 1.00 0.14 O ATOM 1019 CB LEU A 113 3.183 -7.990 0.104 1.00 0.11 C ATOM 1020 CG LEU A 113 3.035 -6.987 1.224 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.881 -6.050 0.942 1.00 0.31 C ATOM 1022 CD2 LEU A 113 2.875 -7.688 2.555 1.00 0.28 C ATOM 0 H LEU A 113 2.607 -6.764 -1.948 1.00 0.10 H new ATOM 0 HA LEU A 113 4.952 -6.914 -0.466 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.223 -8.107 -0.399 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.441 -8.961 0.527 1.00 0.11 H new ATOM 0 HG LEU A 113 3.944 -6.388 1.281 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.787 -5.333 1.758 1.00 0.31 H new ATOM 0 HD12 LEU A 113 2.065 -5.517 0.009 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.959 -6.624 0.855 1.00 0.31 H new ATOM 0 HD21 LEU A 113 2.770 -6.946 3.347 1.00 0.28 H new ATOM 0 HD22 LEU A 113 1.987 -8.319 2.529 1.00 0.28 H new ATOM 0 HD23 LEU A 113 3.753 -8.304 2.749 1.00 0.28 H new ATOM 1034 N SER A 114 4.262 -9.670 -2.086 1.00 0.13 N ATOM 1035 CA SER A 114 4.805 -10.912 -2.619 1.00 0.15 C ATOM 1036 C SER A 114 5.992 -10.635 -3.534 1.00 0.15 C ATOM 1037 O SER A 114 7.028 -11.297 -3.446 1.00 0.17 O ATOM 1038 CB SER A 114 3.716 -11.678 -3.369 1.00 0.17 C ATOM 1039 OG SER A 114 2.569 -11.849 -2.550 1.00 1.00 O ATOM 0 H SER A 114 3.282 -9.511 -2.319 1.00 0.13 H new ATOM 0 HA SER A 114 5.156 -11.523 -1.788 1.00 0.15 H new ATOM 0 HB2 SER A 114 3.444 -11.139 -4.276 1.00 0.17 H new ATOM 0 HB3 SER A 114 4.096 -12.651 -3.679 1.00 0.17 H new ATOM 0 HG SER A 114 1.886 -11.193 -2.802 1.00 1.00 H new ATOM 1045 N ARG A 115 5.844 -9.632 -4.386 1.00 0.13 N ATOM 1046 CA ARG A 115 6.895 -9.246 -5.303 1.00 0.14 C ATOM 1047 C ARG A 115 8.037 -8.562 -4.562 1.00 0.14 C ATOM 1048 O ARG A 115 9.179 -8.643 -4.971 1.00 0.18 O ATOM 1049 CB ARG A 115 6.309 -8.326 -6.369 1.00 0.17 C ATOM 1050 CG ARG A 115 5.253 -9.021 -7.201 1.00 0.24 C ATOM 1051 CD ARG A 115 4.635 -8.097 -8.225 1.00 0.35 C ATOM 1052 NE ARG A 115 3.552 -8.758 -8.957 1.00 0.84 N ATOM 1053 CZ ARG A 115 3.384 -8.700 -10.276 1.00 1.19 C ATOM 1054 NH1 ARG A 115 4.217 -7.994 -11.028 1.00 1.20 N ATOM 1055 NH2 ARG A 115 2.379 -9.355 -10.846 1.00 1.83 N ATOM 0 H ARG A 115 4.997 -9.069 -4.458 1.00 0.13 H new ATOM 0 HA ARG A 115 7.304 -10.136 -5.780 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.874 -7.448 -5.891 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.108 -7.971 -7.020 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.698 -9.877 -7.708 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.473 -9.408 -6.546 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.250 -7.207 -7.728 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.400 -7.765 -8.926 1.00 0.35 H new ATOM 0 HE ARG A 115 2.878 -9.302 -8.417 1.00 0.84 H new ATOM 0 HH11 ARG A 115 4.992 -7.491 -10.596 1.00 1.20 H new ATOM 0 HH12 ARG A 115 4.083 -7.954 -12.038 1.00 1.20 H new ATOM 0 HH21 ARG A 115 1.737 -9.902 -10.273 1.00 1.83 H new ATOM 0 HH22 ARG A 115 2.250 -9.311 -11.857 1.00 1.83 H new ATOM 1069 N ALA A 116 7.701 -7.871 -3.488 1.00 0.13 N ATOM 1070 CA ALA A 116 8.694 -7.180 -2.662 1.00 0.14 C ATOM 1071 C ALA A 116 9.587 -8.162 -1.919 1.00 0.16 C ATOM 1072 O ALA A 116 10.793 -7.957 -1.817 1.00 0.18 O ATOM 1073 CB ALA A 116 8.012 -6.236 -1.685 1.00 0.15 C ATOM 0 H ALA A 116 6.741 -7.769 -3.159 1.00 0.13 H new ATOM 0 HA ALA A 116 9.328 -6.596 -3.329 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.766 -5.732 -1.080 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.435 -5.495 -2.238 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.346 -6.804 -1.035 1.00 0.15 H new ATOM 1079 N ARG A 117 8.994 -9.226 -1.402 1.00 0.19 N ATOM 1080 CA ARG A 117 9.760 -10.258 -0.719 1.00 0.24 C ATOM 1081 C ARG A 117 10.603 -11.051 -1.709 1.00 0.26 C ATOM 1082 O ARG A 117 11.626 -11.639 -1.357 1.00 0.32 O ATOM 1083 CB ARG A 117 8.841 -11.194 0.060 1.00 0.28 C ATOM 1084 CG ARG A 117 8.556 -10.700 1.462 1.00 0.61 C ATOM 1085 CD ARG A 117 7.149 -10.149 1.612 1.00 0.34 C ATOM 1086 NE ARG A 117 6.872 -9.727 2.990 1.00 1.22 N ATOM 1087 CZ ARG A 117 5.715 -9.936 3.630 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.722 -10.590 3.039 1.00 1.30 N ATOM 1089 NH2 ARG A 117 5.563 -9.493 4.874 1.00 2.33 N ATOM 0 H ARG A 117 7.989 -9.398 -1.441 1.00 0.19 H new ATOM 0 HA ARG A 117 10.428 -9.765 -0.013 1.00 0.24 H new ATOM 0 HB2 ARG A 117 7.901 -11.305 -0.480 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.297 -12.183 0.113 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.699 -11.518 2.168 1.00 0.61 H new ATOM 0 HG3 ARG A 117 9.276 -9.924 1.723 1.00 0.61 H new ATOM 0 HD2 ARG A 117 7.017 -9.302 0.939 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.427 -10.909 1.313 1.00 0.34 H new ATOM 0 HE ARG A 117 7.613 -9.241 3.495 1.00 1.22 H new ATOM 0 HH11 ARG A 117 4.836 -10.939 2.087 1.00 1.30 H new ATOM 0 HH12 ARG A 117 3.845 -10.743 3.537 1.00 1.30 H new ATOM 0 HH21 ARG A 117 6.326 -8.997 5.335 1.00 2.33 H new ATOM 0 HH22 ARG A 117 4.684 -9.649 5.367 1.00 2.33 H new ATOM 1103 N SER A 118 10.157 -11.053 -2.948 1.00 0.26 N ATOM 1104 CA SER A 118 10.843 -11.758 -4.022 1.00 0.31 C ATOM 1105 C SER A 118 11.888 -10.862 -4.669 1.00 0.28 C ATOM 1106 O SER A 118 12.992 -11.295 -5.004 1.00 0.32 O ATOM 1107 CB SER A 118 9.825 -12.190 -5.067 1.00 0.37 C ATOM 1108 OG SER A 118 10.123 -13.471 -5.600 1.00 0.68 O ATOM 0 H SER A 118 9.310 -10.568 -3.243 1.00 0.26 H new ATOM 0 HA SER A 118 11.345 -12.632 -3.607 1.00 0.31 H new ATOM 0 HB2 SER A 118 8.831 -12.205 -4.620 1.00 0.37 H new ATOM 0 HB3 SER A 118 9.801 -11.458 -5.874 1.00 0.37 H new ATOM 0 HG SER A 118 9.446 -13.714 -6.266 1.00 0.68 H new ATOM 1114 N ARG A 119 11.524 -9.607 -4.816 1.00 0.23 N ATOM 1115 CA ARG A 119 12.343 -8.620 -5.472 1.00 0.20 C ATOM 1116 C ARG A 119 12.474 -7.379 -4.616 1.00 0.18 C ATOM 1117 O ARG A 119 11.875 -6.343 -4.904 1.00 0.17 O ATOM 1118 CB ARG A 119 11.720 -8.249 -6.804 1.00 0.25 C ATOM 1119 CG ARG A 119 12.191 -9.109 -7.942 1.00 0.33 C ATOM 1120 CD ARG A 119 13.506 -8.593 -8.502 1.00 0.33 C ATOM 1121 NE ARG A 119 14.056 -9.481 -9.519 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.322 -9.462 -9.923 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.201 -8.659 -9.334 1.00 1.48 N ATOM 1124 NH2 ARG A 119 15.711 -10.260 -10.909 1.00 1.19 N ATOM 0 H ARG A 119 10.635 -9.241 -4.476 1.00 0.23 H new ATOM 0 HA ARG A 119 13.335 -9.042 -5.631 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.636 -8.327 -6.724 1.00 0.25 H new ATOM 0 HB3 ARG A 119 11.949 -7.207 -7.027 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.315 -10.136 -7.600 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.437 -9.124 -8.729 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.353 -7.603 -8.931 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.226 -8.482 -7.691 1.00 0.33 H new ATOM 0 HE ARG A 119 13.429 -10.161 -9.948 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.905 -8.054 -8.568 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.172 -8.648 -9.647 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.039 -10.885 -11.354 1.00 1.19 H new ATOM 0 HH22 ARG A 119 16.682 -10.248 -11.222 1.00 1.19 H new ATOM 1138 N PRO A 120 13.271 -7.468 -3.557 1.00 0.19 N ATOM 1139 CA PRO A 120 13.511 -6.351 -2.650 1.00 0.19 C ATOM 1140 C PRO A 120 14.268 -5.205 -3.324 1.00 0.20 C ATOM 1141 O PRO A 120 14.397 -4.116 -2.762 1.00 0.21 O ATOM 1142 CB PRO A 120 14.336 -6.990 -1.544 1.00 0.23 C ATOM 1143 CG PRO A 120 15.023 -8.113 -2.217 1.00 0.25 C ATOM 1144 CD PRO A 120 13.992 -8.677 -3.130 1.00 0.22 C ATOM 0 HA PRO A 120 12.589 -5.890 -2.296 1.00 0.19 H new ATOM 0 HB2 PRO A 120 15.048 -6.284 -1.118 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.706 -7.340 -0.726 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.899 -7.771 -2.768 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.369 -8.856 -1.499 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.438 -9.206 -3.973 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.338 -9.384 -2.620 1.00 0.22 H new ATOM 1152 N ALA A 121 14.760 -5.448 -4.538 1.00 0.20 N ATOM 1153 CA ALA A 121 15.369 -4.383 -5.329 1.00 0.22 C ATOM 1154 C ALA A 121 14.277 -3.535 -5.949 1.00 0.19 C ATOM 1155 O ALA A 121 14.404 -2.321 -6.106 1.00 0.21 O ATOM 1156 CB ALA A 121 16.255 -4.949 -6.421 1.00 0.25 C ATOM 0 H ALA A 121 14.749 -6.362 -4.990 1.00 0.20 H new ATOM 0 HA ALA A 121 15.989 -3.774 -4.671 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.694 -4.132 -6.993 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.049 -5.546 -5.972 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.659 -5.577 -7.084 1.00 0.25 H new ATOM 1162 N LYS A 122 13.193 -4.209 -6.286 1.00 0.16 N ATOM 1163 CA LYS A 122 12.053 -3.575 -6.906 1.00 0.16 C ATOM 1164 C LYS A 122 11.096 -3.041 -5.855 1.00 0.11 C ATOM 1165 O LYS A 122 10.033 -2.531 -6.185 1.00 0.11 O ATOM 1166 CB LYS A 122 11.339 -4.550 -7.824 1.00 0.20 C ATOM 1167 CG LYS A 122 12.239 -5.081 -8.913 1.00 0.27 C ATOM 1168 CD LYS A 122 11.515 -5.204 -10.228 1.00 0.41 C ATOM 1169 CE LYS A 122 10.345 -6.144 -10.122 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.564 -6.212 -11.383 1.00 1.07 N ATOM 0 H LYS A 122 13.082 -5.212 -6.136 1.00 0.16 H new ATOM 0 HA LYS A 122 12.412 -2.735 -7.501 1.00 0.16 H new ATOM 0 HB2 LYS A 122 10.955 -5.383 -7.236 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.479 -4.056 -8.276 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.096 -4.418 -9.031 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.628 -6.056 -8.620 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.167 -4.222 -10.547 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.204 -5.562 -10.993 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.704 -7.141 -9.865 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.694 -5.820 -9.310 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.768 -6.871 -11.264 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.198 -5.267 -11.616 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.177 -6.546 -12.154 1.00 1.07 H new ATOM 1184 N LEU A 123 11.458 -3.195 -4.586 1.00 0.10 N ATOM 1185 CA LEU A 123 10.688 -2.638 -3.485 1.00 0.08 C ATOM 1186 C LEU A 123 10.264 -1.196 -3.738 1.00 0.08 C ATOM 1187 O LEU A 123 9.112 -0.861 -3.529 1.00 0.13 O ATOM 1188 CB LEU A 123 11.502 -2.714 -2.210 1.00 0.12 C ATOM 1189 CG LEU A 123 10.813 -2.172 -0.971 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.499 -2.887 -0.730 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.715 -2.319 0.223 1.00 0.23 C ATOM 0 H LEU A 123 12.290 -3.708 -4.295 1.00 0.10 H new ATOM 0 HA LEU A 123 9.778 -3.230 -3.391 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.771 -3.755 -2.031 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.432 -2.166 -2.358 1.00 0.12 H new ATOM 0 HG LEU A 123 10.600 -1.114 -1.127 1.00 0.14 H new ATOM 0 HD11 LEU A 123 9.023 -2.482 0.163 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.843 -2.742 -1.588 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.684 -3.952 -0.591 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.214 -1.928 1.108 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.949 -3.373 0.375 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.637 -1.763 0.053 1.00 0.23 H new ATOM 1203 N TYR A 124 11.178 -0.354 -4.204 1.00 0.11 N ATOM 1204 CA TYR A 124 10.855 1.010 -4.535 1.00 0.10 C ATOM 1205 C TYR A 124 9.831 1.075 -5.647 1.00 0.11 C ATOM 1206 O TYR A 124 9.020 1.977 -5.680 1.00 0.14 O ATOM 1207 CB TYR A 124 12.129 1.746 -4.914 1.00 0.14 C ATOM 1208 CG TYR A 124 13.031 1.873 -3.735 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.461 2.019 -2.503 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.410 1.844 -3.834 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.216 2.140 -1.377 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.197 1.962 -2.705 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.589 2.113 -1.470 1.00 1.45 C ATOM 1214 OH TYR A 124 15.350 2.231 -0.330 1.00 1.89 O ATOM 0 H TYR A 124 12.155 -0.604 -4.359 1.00 0.11 H new ATOM 0 HA TYR A 124 10.410 1.494 -3.665 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.640 1.211 -5.714 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.883 2.736 -5.299 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.384 2.039 -2.420 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.875 1.728 -4.802 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.740 2.257 -0.415 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.274 1.937 -2.784 1.00 1.74 H new ATOM 0 HH TYR A 124 15.882 3.053 -0.375 1.00 1.89 H new ATOM 1224 N VAL A 125 9.819 0.086 -6.517 1.00 0.10 N ATOM 1225 CA VAL A 125 8.837 0.046 -7.582 1.00 0.12 C ATOM 1226 C VAL A 125 7.470 -0.134 -6.957 1.00 0.11 C ATOM 1227 O VAL A 125 6.502 0.527 -7.305 1.00 0.14 O ATOM 1228 CB VAL A 125 9.075 -1.140 -8.527 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.114 -1.092 -9.686 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.507 -1.186 -9.010 1.00 0.18 C ATOM 0 H VAL A 125 10.473 -0.696 -6.509 1.00 0.10 H new ATOM 0 HA VAL A 125 8.912 0.972 -8.152 1.00 0.12 H new ATOM 0 HB VAL A 125 8.892 -2.057 -7.966 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.297 -1.940 -10.346 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.091 -1.137 -9.312 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.258 -0.164 -10.240 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.639 -2.038 -9.677 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.740 -0.266 -9.546 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.176 -1.287 -8.155 1.00 0.18 H new ATOM 1240 N TYR A 126 7.456 -1.036 -6.002 1.00 0.07 N ATOM 1241 CA TYR A 126 6.273 -1.427 -5.255 1.00 0.08 C ATOM 1242 C TYR A 126 5.835 -0.322 -4.306 1.00 0.08 C ATOM 1243 O TYR A 126 4.649 -0.027 -4.184 1.00 0.10 O ATOM 1244 CB TYR A 126 6.634 -2.691 -4.485 1.00 0.11 C ATOM 1245 CG TYR A 126 7.226 -3.755 -5.374 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.794 -3.922 -6.684 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.228 -4.580 -4.907 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.349 -4.887 -7.499 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.782 -5.552 -5.715 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.339 -5.700 -7.005 1.00 0.28 C ATOM 1251 OH TYR A 126 8.873 -6.685 -7.796 1.00 0.36 O ATOM 0 H TYR A 126 8.295 -1.537 -5.711 1.00 0.07 H new ATOM 0 HA TYR A 126 5.436 -1.609 -5.929 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.345 -2.443 -3.697 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.742 -3.084 -3.997 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.011 -3.286 -7.070 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.584 -4.464 -3.894 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.008 -5.002 -8.517 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.562 -6.194 -5.333 1.00 0.27 H new ATOM 0 HH TYR A 126 8.233 -6.922 -8.499 1.00 0.36 H new ATOM 1261 N ILE A 127 6.803 0.270 -3.628 1.00 0.08 N ATOM 1262 CA ILE A 127 6.573 1.417 -2.771 1.00 0.11 C ATOM 1263 C ILE A 127 6.012 2.567 -3.584 1.00 0.12 C ATOM 1264 O ILE A 127 4.987 3.152 -3.236 1.00 0.14 O ATOM 1265 CB ILE A 127 7.895 1.847 -2.110 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.351 0.779 -1.131 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.765 3.186 -1.411 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.811 0.887 -0.790 1.00 0.13 C ATOM 0 H ILE A 127 7.776 -0.035 -3.658 1.00 0.08 H new ATOM 0 HA ILE A 127 5.855 1.143 -1.998 1.00 0.11 H new ATOM 0 HB ILE A 127 8.643 1.962 -2.895 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.762 0.855 -0.217 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.154 -0.205 -1.556 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.719 3.454 -0.957 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.481 3.949 -2.136 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.001 3.119 -0.636 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.080 0.099 -0.087 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.405 0.782 -1.698 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.008 1.859 -0.338 1.00 0.13 H new ATOM 1280 N ASN A 128 6.696 2.871 -4.678 1.00 0.12 N ATOM 1281 CA ASN A 128 6.226 3.901 -5.604 1.00 0.15 C ATOM 1282 C ASN A 128 4.848 3.528 -6.136 1.00 0.12 C ATOM 1283 O ASN A 128 3.974 4.382 -6.256 1.00 0.12 O ATOM 1284 CB ASN A 128 7.183 4.109 -6.790 1.00 0.20 C ATOM 1285 CG ASN A 128 8.510 4.782 -6.440 1.00 0.30 C ATOM 1286 OD1 ASN A 128 9.075 5.510 -7.258 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.023 4.549 -5.241 1.00 0.42 N ATOM 0 H ASN A 128 7.573 2.425 -4.948 1.00 0.12 H new ATOM 0 HA ASN A 128 6.181 4.835 -5.045 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.393 3.140 -7.242 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.676 4.710 -7.545 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.909 4.977 -4.974 1.00 0.42 H new ATOM 0 HD22 ASN A 128 8.532 3.942 -4.585 1.00 0.42 H new ATOM 1294 N GLU A 129 4.670 2.250 -6.455 1.00 0.11 N ATOM 1295 CA GLU A 129 3.393 1.730 -6.919 1.00 0.10 C ATOM 1296 C GLU A 129 2.291 2.031 -5.935 1.00 0.09 C ATOM 1297 O GLU A 129 1.335 2.719 -6.253 1.00 0.14 O ATOM 1298 CB GLU A 129 3.470 0.224 -7.081 1.00 0.14 C ATOM 1299 CG GLU A 129 2.878 -0.270 -8.373 1.00 0.26 C ATOM 1300 CD GLU A 129 1.487 0.249 -8.658 1.00 1.41 C ATOM 1301 OE1 GLU A 129 1.369 1.369 -9.186 1.00 2.29 O ATOM 1302 OE2 GLU A 129 0.509 -0.441 -8.304 1.00 1.55 O ATOM 0 H GLU A 129 5.408 1.548 -6.398 1.00 0.11 H new ATOM 0 HA GLU A 129 3.175 2.211 -7.873 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.513 -0.087 -7.026 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.952 -0.250 -6.248 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.536 0.017 -9.194 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.850 -1.359 -8.353 1.00 0.26 H new ATOM 1309 N LEU A 130 2.466 1.531 -4.734 1.00 0.07 N ATOM 1310 CA LEU A 130 1.468 1.648 -3.695 1.00 0.08 C ATOM 1311 C LEU A 130 1.220 3.109 -3.361 1.00 0.09 C ATOM 1312 O LEU A 130 0.085 3.510 -3.154 1.00 0.10 O ATOM 1313 CB LEU A 130 1.911 0.886 -2.459 1.00 0.08 C ATOM 1314 CG LEU A 130 0.773 0.270 -1.654 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.076 -0.821 -2.445 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.304 -0.276 -0.346 1.00 0.08 C ATOM 0 H LEU A 130 3.307 1.030 -4.448 1.00 0.07 H new ATOM 0 HA LEU A 130 0.534 1.216 -4.054 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.595 0.093 -2.762 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.472 1.561 -1.813 1.00 0.08 H new ATOM 0 HG LEU A 130 0.039 1.047 -1.441 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.732 -1.244 -1.848 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.334 -0.400 -3.363 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.792 -1.604 -2.693 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.485 -0.715 0.224 1.00 0.08 H new ATOM 0 HD22 LEU A 130 2.055 -1.039 -0.549 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.755 0.533 0.230 1.00 0.08 H new ATOM 1328 N CYS A 131 2.284 3.905 -3.330 1.00 0.11 N ATOM 1329 CA CYS A 131 2.148 5.338 -3.123 1.00 0.13 C ATOM 1330 C CYS A 131 1.294 5.946 -4.231 1.00 0.13 C ATOM 1331 O CYS A 131 0.391 6.738 -3.971 1.00 0.14 O ATOM 1332 CB CYS A 131 3.524 6.009 -3.096 1.00 0.18 C ATOM 1333 SG CYS A 131 3.470 7.814 -3.038 1.00 1.39 S ATOM 0 H CYS A 131 3.245 3.582 -3.445 1.00 0.11 H new ATOM 0 HA CYS A 131 1.660 5.506 -2.163 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.075 5.646 -2.229 1.00 0.18 H new ATOM 0 HB3 CYS A 131 4.082 5.702 -3.980 1.00 0.18 H new ATOM 0 HG CYS A 131 4.281 8.243 -2.117 1.00 1.39 H new ATOM 1339 N THR A 132 1.582 5.545 -5.462 1.00 0.12 N ATOM 1340 CA THR A 132 0.839 6.021 -6.621 1.00 0.14 C ATOM 1341 C THR A 132 -0.603 5.532 -6.548 1.00 0.11 C ATOM 1342 O THR A 132 -1.538 6.286 -6.774 1.00 0.15 O ATOM 1343 CB THR A 132 1.496 5.543 -7.933 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.839 6.043 -8.013 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.711 6.002 -9.151 1.00 0.24 C ATOM 0 H THR A 132 2.329 4.887 -5.684 1.00 0.12 H new ATOM 0 HA THR A 132 0.851 7.111 -6.613 1.00 0.14 H new ATOM 0 HB THR A 132 1.503 4.453 -7.925 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.419 5.520 -7.420 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.203 5.647 -10.056 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.300 5.598 -9.106 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.666 7.091 -9.166 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.750 4.260 -6.230 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.036 3.644 -5.945 1.00 0.07 C ATOM 1355 C VAL A 133 -2.834 4.446 -4.923 1.00 0.07 C ATOM 1356 O VAL A 133 -4.006 4.764 -5.133 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.796 2.225 -5.411 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.004 1.675 -4.681 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.398 1.301 -6.543 1.00 0.10 C ATOM 0 H VAL A 133 0.035 3.612 -6.161 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.616 3.616 -6.867 1.00 0.07 H new ATOM 0 HB VAL A 133 -0.982 2.282 -4.688 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.785 0.669 -4.322 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.242 2.319 -3.834 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.855 1.641 -5.361 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.230 0.298 -6.152 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.195 1.272 -7.286 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.482 1.667 -7.007 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.187 4.778 -3.824 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.837 5.497 -2.743 1.00 0.11 C ATOM 1371 C LEU A 134 -3.095 6.942 -3.139 1.00 0.14 C ATOM 1372 O LEU A 134 -4.032 7.568 -2.660 1.00 0.18 O ATOM 1373 CB LEU A 134 -1.975 5.419 -1.488 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.709 3.999 -0.991 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.690 4.003 0.131 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.004 3.347 -0.545 1.00 0.16 C ATOM 0 H LEU A 134 -1.205 4.560 -3.654 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.802 5.035 -2.535 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.020 5.906 -1.687 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.461 5.984 -0.693 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.296 3.416 -1.814 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.517 2.981 0.469 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.246 4.430 -0.229 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.066 4.601 0.961 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.800 2.336 -0.193 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.445 3.930 0.263 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.699 3.306 -1.384 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.250 7.463 -4.014 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.420 8.770 -4.578 1.00 0.17 C ATOM 1390 C LYS A 135 -3.609 8.752 -5.519 1.00 0.15 C ATOM 1391 O LYS A 135 -4.387 9.703 -5.594 1.00 0.18 O ATOM 1392 CB LYS A 135 -1.148 9.130 -5.344 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.774 10.584 -5.246 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.869 11.465 -5.802 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.973 11.373 -7.321 1.00 1.32 C ATOM 1396 NZ LYS A 135 -0.732 11.834 -8.001 1.00 1.82 N ATOM 0 H LYS A 135 -1.420 6.975 -4.350 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.599 9.508 -3.796 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.323 8.526 -4.966 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.280 8.868 -6.394 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.586 10.845 -4.205 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.153 10.762 -5.791 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.822 11.180 -5.357 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.680 12.500 -5.515 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -2.180 10.342 -7.607 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -2.816 11.974 -7.662 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -0.932 12.012 -9.006 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -0.397 12.711 -7.554 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 0.001 11.101 -7.919 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.765 7.625 -6.190 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.754 7.473 -7.219 1.00 0.14 C ATOM 1412 C ALA A 136 -6.128 7.322 -6.594 1.00 0.16 C ATOM 1413 O ALA A 136 -7.147 7.672 -7.189 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.408 6.256 -8.063 1.00 0.17 C ATOM 0 H ALA A 136 -3.202 6.790 -6.029 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.766 8.356 -7.858 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.155 6.133 -8.848 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.426 6.394 -8.515 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.395 5.367 -7.432 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.138 6.789 -5.383 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.378 6.502 -4.685 1.00 0.23 C ATOM 1422 C HIS A 137 -7.349 7.101 -3.290 1.00 0.24 C ATOM 1423 O HIS A 137 -7.793 6.490 -2.320 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.606 4.989 -4.629 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.366 4.319 -5.945 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -8.055 4.645 -7.087 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.444 3.405 -6.314 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.557 3.972 -8.103 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.580 3.207 -7.661 1.00 0.34 N ATOM 0 H HIS A 137 -5.296 6.546 -4.862 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.207 6.955 -5.228 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.946 4.554 -3.879 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.628 4.792 -4.307 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -5.730 2.919 -5.665 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.893 4.036 -9.127 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.018 2.572 -8.229 1.00 0.34 H new ATOM 1438 N SER A 138 -6.800 8.300 -3.200 1.00 0.26 N ATOM 1439 CA SER A 138 -6.816 9.061 -1.961 1.00 0.30 C ATOM 1440 C SER A 138 -8.112 9.833 -1.868 1.00 0.36 C ATOM 1441 O SER A 138 -8.425 10.647 -2.726 1.00 0.56 O ATOM 1442 CB SER A 138 -5.636 10.032 -1.907 1.00 0.40 C ATOM 1443 OG SER A 138 -5.716 10.892 -0.782 1.00 1.23 O ATOM 0 H SER A 138 -6.334 8.771 -3.976 1.00 0.26 H new ATOM 0 HA SER A 138 -6.733 8.370 -1.122 1.00 0.30 H new ATOM 0 HB2 SER A 138 -4.703 9.469 -1.870 1.00 0.40 H new ATOM 0 HB3 SER A 138 -5.613 10.628 -2.820 1.00 0.40 H new ATOM 0 HG SER A 138 -5.813 10.356 0.033 1.00 1.23 H new ATOM 1449 N ALA A 139 -8.849 9.587 -0.802 1.00 0.26 N ATOM 1450 CA ALA A 139 -10.159 10.187 -0.615 1.00 0.34 C ATOM 1451 C ALA A 139 -10.055 11.702 -0.613 1.00 0.72 C ATOM 1452 O ALA A 139 -10.852 12.396 -1.236 1.00 1.10 O ATOM 1453 CB ALA A 139 -10.756 9.701 0.697 1.00 0.26 C ATOM 0 H ALA A 139 -8.560 8.969 -0.044 1.00 0.26 H new ATOM 0 HA ALA A 139 -10.807 9.890 -1.440 1.00 0.34 H new ATOM 0 HB1 ALA A 139 -11.739 10.151 0.838 1.00 0.26 H new ATOM 0 HB2 ALA A 139 -10.854 8.616 0.672 1.00 0.26 H new ATOM 0 HB3 ALA A 139 -10.104 9.988 1.522 1.00 0.26 H new ATOM 1459 N LYS A 140 -9.075 12.193 0.124 1.00 1.04 N ATOM 1460 CA LYS A 140 -8.825 13.622 0.251 1.00 1.45 C ATOM 1461 C LYS A 140 -8.501 14.326 -1.072 1.00 1.34 C ATOM 1462 O LYS A 140 -8.701 15.537 -1.168 1.00 1.80 O ATOM 1463 CB LYS A 140 -7.677 13.878 1.236 1.00 2.25 C ATOM 1464 CG LYS A 140 -7.986 13.546 2.693 1.00 3.01 C ATOM 1465 CD LYS A 140 -8.054 12.048 2.945 1.00 3.61 C ATOM 1466 CE LYS A 140 -8.076 11.725 4.430 1.00 4.40 C ATOM 1467 NZ LYS A 140 -9.239 12.334 5.122 1.00 4.94 N ATOM 0 H LYS A 140 -8.426 11.612 0.654 1.00 1.04 H new ATOM 0 HA LYS A 140 -9.761 14.044 0.617 1.00 1.45 H new ATOM 0 HB2 LYS A 140 -6.813 13.293 0.922 1.00 2.25 H new ATOM 0 HB3 LYS A 140 -7.392 14.928 1.172 1.00 2.25 H new ATOM 0 HG2 LYS A 140 -7.220 13.985 3.333 1.00 3.01 H new ATOM 0 HG3 LYS A 140 -8.935 14.002 2.973 1.00 3.01 H new ATOM 0 HD2 LYS A 140 -8.947 11.640 2.471 1.00 3.61 H new ATOM 0 HD3 LYS A 140 -7.196 11.562 2.480 1.00 3.61 H new ATOM 0 HE2 LYS A 140 -8.102 10.644 4.564 1.00 4.40 H new ATOM 0 HE3 LYS A 140 -7.155 12.081 4.891 1.00 4.40 H new ATOM 0 HZ1 LYS A 140 -9.249 12.031 6.117 1.00 4.94 H new ATOM 0 HZ2 LYS A 140 -9.166 13.370 5.076 1.00 4.94 H new ATOM 0 HZ3 LYS A 140 -10.118 12.028 4.658 1.00 4.94 H new ATOM 1481 N LYS A 141 -8.035 13.617 -2.105 1.00 1.51 N ATOM 1482 CA LYS A 141 -7.479 14.325 -3.262 1.00 2.10 C ATOM 1483 C LYS A 141 -7.350 13.458 -4.521 1.00 2.90 C ATOM 1484 O LYS A 141 -6.461 13.691 -5.340 1.00 3.44 O ATOM 1485 CB LYS A 141 -6.113 14.926 -2.889 1.00 2.17 C ATOM 1486 CG LYS A 141 -5.101 13.918 -2.345 1.00 2.04 C ATOM 1487 CD LYS A 141 -4.204 13.328 -3.430 1.00 2.31 C ATOM 1488 CE LYS A 141 -3.164 14.326 -3.933 1.00 3.03 C ATOM 1489 NZ LYS A 141 -3.732 15.353 -4.849 1.00 3.84 N ATOM 0 H LYS A 141 -8.030 12.599 -2.166 1.00 1.51 H new ATOM 0 HA LYS A 141 -8.189 15.112 -3.515 1.00 2.10 H new ATOM 0 HB2 LYS A 141 -5.689 15.406 -3.771 1.00 2.17 H new ATOM 0 HB3 LYS A 141 -6.266 15.706 -2.143 1.00 2.17 H new ATOM 0 HG2 LYS A 141 -4.480 14.405 -1.593 1.00 2.04 H new ATOM 0 HG3 LYS A 141 -5.635 13.110 -1.844 1.00 2.04 H new ATOM 0 HD2 LYS A 141 -3.697 12.446 -3.038 1.00 2.31 H new ATOM 0 HD3 LYS A 141 -4.820 12.997 -4.266 1.00 2.31 H new ATOM 0 HE2 LYS A 141 -2.705 14.824 -3.079 1.00 3.03 H new ATOM 0 HE3 LYS A 141 -2.371 13.785 -4.450 1.00 3.03 H new ATOM 0 HZ1 LYS A 141 -3.051 15.556 -5.608 1.00 3.84 H new ATOM 0 HZ2 LYS A 141 -4.617 14.997 -5.264 1.00 3.84 H new ATOM 0 HZ3 LYS A 141 -3.926 16.225 -4.316 1.00 3.84 H new ATOM 1503 N LYS A 142 -8.238 12.486 -4.706 1.00 3.43 N ATOM 1504 CA LYS A 142 -8.167 11.619 -5.888 1.00 4.37 C ATOM 1505 C LYS A 142 -8.748 12.311 -7.131 1.00 4.96 C ATOM 1506 O LYS A 142 -9.545 11.735 -7.876 1.00 5.45 O ATOM 1507 CB LYS A 142 -8.842 10.247 -5.642 1.00 5.00 C ATOM 1508 CG LYS A 142 -10.369 10.237 -5.603 1.00 5.31 C ATOM 1509 CD LYS A 142 -10.939 10.986 -4.415 1.00 5.43 C ATOM 1510 CE LYS A 142 -12.456 10.903 -4.400 1.00 6.16 C ATOM 1511 NZ LYS A 142 -13.054 11.474 -5.637 1.00 6.56 N ATOM 0 H LYS A 142 -9.005 12.277 -4.067 1.00 3.43 H new ATOM 0 HA LYS A 142 -7.111 11.429 -6.078 1.00 4.37 H new ATOM 0 HB2 LYS A 142 -8.516 9.561 -6.424 1.00 5.00 H new ATOM 0 HB3 LYS A 142 -8.474 9.850 -4.696 1.00 5.00 H new ATOM 0 HG2 LYS A 142 -10.753 10.680 -6.522 1.00 5.31 H new ATOM 0 HG3 LYS A 142 -10.719 9.205 -5.576 1.00 5.31 H new ATOM 0 HD2 LYS A 142 -10.539 10.569 -3.491 1.00 5.43 H new ATOM 0 HD3 LYS A 142 -10.628 12.030 -4.455 1.00 5.43 H new ATOM 0 HE2 LYS A 142 -12.762 9.862 -4.296 1.00 6.16 H new ATOM 0 HE3 LYS A 142 -12.840 11.437 -3.531 1.00 6.16 H new ATOM 0 HZ1 LYS A 142 -14.077 11.602 -5.501 1.00 6.56 H new ATOM 0 HZ2 LYS A 142 -12.614 12.394 -5.843 1.00 6.56 H new ATOM 0 HZ3 LYS A 142 -12.889 10.826 -6.433 1.00 6.56 H new ATOM 1525 N LEU A 143 -8.311 13.541 -7.373 1.00 5.33 N ATOM 1526 CA LEU A 143 -8.719 14.287 -8.558 1.00 6.23 C ATOM 1527 C LEU A 143 -7.927 13.812 -9.774 1.00 7.01 C ATOM 1528 O LEU A 143 -7.309 14.609 -10.486 1.00 7.76 O ATOM 1529 CB LEU A 143 -8.524 15.800 -8.361 1.00 6.61 C ATOM 1530 CG LEU A 143 -9.538 16.506 -7.449 1.00 6.79 C ATOM 1531 CD1 LEU A 143 -10.963 16.190 -7.877 1.00 7.64 C ATOM 1532 CD2 LEU A 143 -9.317 16.140 -5.991 1.00 6.92 C ATOM 0 H LEU A 143 -7.670 14.046 -6.761 1.00 5.33 H new ATOM 0 HA LEU A 143 -9.780 14.102 -8.723 1.00 6.23 H new ATOM 0 HB2 LEU A 143 -7.526 15.966 -7.955 1.00 6.61 H new ATOM 0 HB3 LEU A 143 -8.554 16.279 -9.340 1.00 6.61 H new ATOM 0 HG LEU A 143 -9.383 17.580 -7.549 1.00 6.79 H new ATOM 0 HD11 LEU A 143 -11.663 16.701 -7.216 1.00 7.64 H new ATOM 0 HD12 LEU A 143 -11.118 16.528 -8.902 1.00 7.64 H new ATOM 0 HD13 LEU A 143 -11.130 15.114 -7.820 1.00 7.64 H new ATOM 0 HD21 LEU A 143 -10.050 16.656 -5.371 1.00 6.92 H new ATOM 0 HD22 LEU A 143 -9.429 15.063 -5.865 1.00 6.92 H new ATOM 0 HD23 LEU A 143 -8.313 16.438 -5.689 1.00 6.92 H new ATOM 1544 N ASN A 144 -7.946 12.507 -10.000 1.00 7.08 N ATOM 1545 CA ASN A 144 -7.227 11.897 -11.104 1.00 8.03 C ATOM 1546 C ASN A 144 -8.073 10.807 -11.747 1.00 8.20 C ATOM 1547 O ASN A 144 -8.321 10.897 -12.963 1.00 8.61 O ATOM 1548 CB ASN A 144 -5.848 11.359 -10.664 1.00 8.72 C ATOM 1549 CG ASN A 144 -5.841 10.577 -9.350 1.00 9.25 C ATOM 1550 OD1 ASN A 144 -4.870 10.636 -8.597 1.00 9.46 O ATOM 1551 ND2 ASN A 144 -6.892 9.825 -9.073 1.00 9.73 N ATOM 1552 OXT ASN A 144 -8.550 9.910 -11.027 1.00 8.17 O ATOM 0 H ASN A 144 -8.461 11.843 -9.422 1.00 7.08 H new ATOM 0 HA ASN A 144 -7.038 12.669 -11.850 1.00 8.03 H new ATOM 0 HB2 ASN A 144 -5.459 10.715 -11.453 1.00 8.72 H new ATOM 0 HB3 ASN A 144 -5.161 12.200 -10.571 1.00 8.72 H new ATOM 0 HD21 ASN A 144 -6.913 9.273 -8.215 1.00 9.73 H new ATOM 0 HD22 ASN A 144 -7.683 9.796 -9.717 1.00 9.73 H new TER 1559 ASN A 144