USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 943 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 68 THR OG1 : rot 67:sc= 0.186 USER MOD Set 1.2: A 69 ASN : amide:sc= -0.827 K(o=-0.64,f=-5.6!) USER MOD Set 2.1: A 36 HIS : no HD1:sc= -0.247 X(o=0.057,f=0.11) USER MOD Set 2.2: A 66 THR OG1 : rot -136:sc= 0.304 USER MOD Set 3.1: A 39 SER OG : rot -149:sc= 0.758 USER MOD Set 3.2: A 42 SER OG : rot 180:sc= 0.825 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.406 USER MOD Single : A 6 ASN : amide:sc= -0.0916 X(o=-0.092,f=-0.092) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 72:sc= 1.06 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.07 K(o=-3.1,f=-5.1!) USER MOD Single : A 30 SER OG : rot -88:sc= 0.319 USER MOD Single : A 35 THR OG1 : rot 44:sc= -0.0747 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 139:sc= -0.0214 (180deg=-2.44!) USER MOD Single : A 46 LYS NZ :NH3+ 149:sc= -2.15 (180deg=-4.24!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 56:sc= -7.96! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.495 X(o=-0.5,f=-0.14) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 80 SER OG : rot -140:sc= 0.00993 USER MOD Single : A 83 THR OG1 : rot 138:sc= 1.19! USER MOD Single : A 88 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.671) USER MOD Single : A 97 LYS NZ :NH3+ -118:sc= -0.686 (180deg=-2.29!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 59:sc= -0.177! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.011 2.271 -2.089 1.00 32.24 N ATOM 2 CA MET A 1 0.080 3.139 -2.516 1.00 73.14 C ATOM 3 C MET A 1 1.306 2.319 -2.907 1.00 15.40 C ATOM 4 O MET A 1 2.343 2.386 -2.249 1.00 63.21 O ATOM 5 CB MET A 1 0.443 4.123 -1.403 1.00 4.10 C ATOM 6 CG MET A 1 -0.372 5.405 -1.435 1.00 14.41 C ATOM 7 SD MET A 1 0.154 6.531 -2.741 1.00 5.52 S ATOM 8 CE MET A 1 -1.298 7.568 -2.900 1.00 65.03 C ATOM 0 H1 MET A 1 -1.834 2.851 -1.828 1.00 32.24 H new ATOM 0 H2 MET A 1 -1.271 1.632 -2.867 1.00 32.24 H new ATOM 0 H3 MET A 1 -0.708 1.711 -1.267 1.00 32.24 H new ATOM 0 HA MET A 1 -0.254 3.698 -3.390 1.00 73.14 H new ATOM 0 HB2 MET A 1 0.301 3.636 -0.438 1.00 4.10 H new ATOM 0 HB3 MET A 1 1.501 4.373 -1.481 1.00 4.10 H new ATOM 0 HG2 MET A 1 -1.424 5.158 -1.576 1.00 14.41 H new ATOM 0 HG3 MET A 1 -0.288 5.908 -0.472 1.00 14.41 H new ATOM 0 HE1 MET A 1 -1.127 8.317 -3.673 1.00 65.03 H new ATOM 0 HE2 MET A 1 -2.156 6.954 -3.174 1.00 65.03 H new ATOM 0 HE3 MET A 1 -1.496 8.065 -1.950 1.00 65.03 H new ATOM 18 N ALA A 2 1.178 1.547 -3.981 1.00 12.10 N ATOM 19 CA ALA A 2 2.276 0.716 -4.459 1.00 52.34 C ATOM 20 C ALA A 2 2.250 0.595 -5.979 1.00 63.13 C ATOM 21 O ALA A 2 3.049 1.222 -6.675 1.00 2.10 O ATOM 22 CB ALA A 2 2.214 -0.661 -3.817 1.00 20.42 C ATOM 0 H ALA A 2 0.325 1.480 -4.536 1.00 12.10 H new ATOM 0 HA ALA A 2 3.213 1.195 -4.174 1.00 52.34 H new ATOM 0 HB1 ALA A 2 3.040 -1.271 -4.183 1.00 20.42 H new ATOM 0 HB2 ALA A 2 2.289 -0.561 -2.734 1.00 20.42 H new ATOM 0 HB3 ALA A 2 1.269 -1.139 -4.073 1.00 20.42 H new ATOM 28 N ARG A 3 1.329 -0.216 -6.488 1.00 75.11 N ATOM 29 CA ARG A 3 1.201 -0.421 -7.926 1.00 11.01 C ATOM 30 C ARG A 3 2.529 -0.864 -8.532 1.00 4.10 C ATOM 31 O ARG A 3 3.209 -0.104 -9.223 1.00 32.14 O ATOM 32 CB ARG A 3 0.721 0.863 -8.605 1.00 3.20 C ATOM 33 CG ARG A 3 -0.612 1.369 -8.079 1.00 2.25 C ATOM 34 CD ARG A 3 -0.634 2.887 -7.984 1.00 63.23 C ATOM 35 NE ARG A 3 -1.982 3.402 -7.758 1.00 65.25 N ATOM 36 CZ ARG A 3 -2.907 3.480 -8.708 1.00 32.30 C ATOM 37 NH1 ARG A 3 -2.632 3.078 -9.941 1.00 71.21 N ATOM 38 NH2 ARG A 3 -4.111 3.960 -8.425 1.00 12.04 N ATOM 0 H ARG A 3 0.660 -0.742 -5.926 1.00 75.11 H new ATOM 0 HA ARG A 3 0.465 -1.208 -8.092 1.00 11.01 H new ATOM 0 HB2 ARG A 3 1.474 1.639 -8.469 1.00 3.20 H new ATOM 0 HB3 ARG A 3 0.635 0.687 -9.677 1.00 3.20 H new ATOM 0 HG2 ARG A 3 -1.415 1.033 -8.735 1.00 2.25 H new ATOM 0 HG3 ARG A 3 -0.803 0.939 -7.096 1.00 2.25 H new ATOM 0 HD2 ARG A 3 0.018 3.209 -7.172 1.00 63.23 H new ATOM 0 HD3 ARG A 3 -0.232 3.314 -8.903 1.00 63.23 H new ATOM 0 HE ARG A 3 -2.226 3.719 -6.820 1.00 65.25 H new ATOM 0 HH11 ARG A 3 -1.708 2.707 -10.162 1.00 71.21 H new ATOM 0 HH12 ARG A 3 -3.345 3.139 -10.668 1.00 71.21 H new ATOM 0 HH21 ARG A 3 -4.327 4.269 -7.477 1.00 12.04 H new ATOM 0 HH22 ARG A 3 -4.821 4.020 -9.155 1.00 12.04 H new ATOM 52 N PRO A 4 2.910 -2.123 -8.268 1.00 40.31 N ATOM 53 CA PRO A 4 4.160 -2.695 -8.778 1.00 35.21 C ATOM 54 C PRO A 4 4.122 -2.919 -10.286 1.00 0.41 C ATOM 55 O PRO A 4 3.065 -3.184 -10.858 1.00 14.44 O ATOM 56 CB PRO A 4 4.263 -4.033 -8.042 1.00 20.24 C ATOM 57 CG PRO A 4 2.857 -4.388 -7.701 1.00 12.22 C ATOM 58 CD PRO A 4 2.150 -3.084 -7.452 1.00 74.33 C ATOM 0 HA PRO A 4 5.010 -2.033 -8.610 1.00 35.21 H new ATOM 0 HB2 PRO A 4 4.722 -4.796 -8.670 1.00 20.24 H new ATOM 0 HB3 PRO A 4 4.878 -3.946 -7.146 1.00 20.24 H new ATOM 0 HG2 PRO A 4 2.385 -4.939 -8.515 1.00 12.22 H new ATOM 0 HG3 PRO A 4 2.819 -5.027 -6.819 1.00 12.22 H new ATOM 0 HD2 PRO A 4 1.104 -3.130 -7.755 1.00 74.33 H new ATOM 0 HD3 PRO A 4 2.164 -2.814 -6.396 1.00 74.33 H new ATOM 66 N SER A 5 5.283 -2.810 -10.925 1.00 33.34 N ATOM 67 CA SER A 5 5.382 -2.997 -12.367 1.00 74.34 C ATOM 68 C SER A 5 6.832 -3.209 -12.790 1.00 3.15 C ATOM 69 O SER A 5 7.741 -3.182 -11.961 1.00 44.52 O ATOM 70 CB SER A 5 4.796 -1.789 -13.101 1.00 21.11 C ATOM 71 OG SER A 5 4.230 -0.864 -12.189 1.00 33.21 O ATOM 0 H SER A 5 6.168 -2.593 -10.466 1.00 33.34 H new ATOM 0 HA SER A 5 4.811 -3.887 -12.632 1.00 74.34 H new ATOM 0 HB2 SER A 5 5.577 -1.299 -13.683 1.00 21.11 H new ATOM 0 HB3 SER A 5 4.034 -2.122 -13.806 1.00 21.11 H new ATOM 0 HG SER A 5 3.864 -0.101 -12.682 1.00 33.21 H new ATOM 77 N ASN A 6 7.040 -3.420 -14.085 1.00 62.12 N ATOM 78 CA ASN A 6 8.380 -3.637 -14.619 1.00 31.21 C ATOM 79 C ASN A 6 9.269 -2.424 -14.366 1.00 44.33 C ATOM 80 O ASN A 6 8.898 -1.511 -13.628 1.00 23.43 O ATOM 81 CB ASN A 6 8.312 -3.931 -16.119 1.00 45.30 C ATOM 82 CG ASN A 6 7.325 -5.033 -16.449 1.00 21.54 C ATOM 83 OD1 ASN A 6 7.379 -6.122 -15.876 1.00 65.12 O ATOM 84 ND2 ASN A 6 6.416 -4.756 -17.376 1.00 0.31 N ATOM 0 H ASN A 6 6.298 -3.445 -14.785 1.00 62.12 H new ATOM 0 HA ASN A 6 8.814 -4.496 -14.107 1.00 31.21 H new ATOM 0 HB2 ASN A 6 8.030 -3.023 -16.652 1.00 45.30 H new ATOM 0 HB3 ASN A 6 9.302 -4.215 -16.476 1.00 45.30 H new ATOM 0 HD21 ASN A 6 5.725 -5.459 -17.639 1.00 0.31 H new ATOM 0 HD22 ASN A 6 6.408 -3.840 -17.825 1.00 0.31 H new ATOM 91 N VAL A 7 10.446 -2.420 -14.985 1.00 53.23 N ATOM 92 CA VAL A 7 11.388 -1.318 -14.829 1.00 60.25 C ATOM 93 C VAL A 7 10.716 0.023 -15.103 1.00 61.42 C ATOM 94 O VAL A 7 9.777 0.109 -15.895 1.00 43.31 O ATOM 95 CB VAL A 7 12.597 -1.476 -15.771 1.00 53.11 C ATOM 96 CG1 VAL A 7 13.300 -2.801 -15.520 1.00 20.00 C ATOM 97 CG2 VAL A 7 12.158 -1.362 -17.223 1.00 64.44 C ATOM 0 H VAL A 7 10.769 -3.168 -15.599 1.00 53.23 H new ATOM 0 HA VAL A 7 11.735 -1.342 -13.796 1.00 60.25 H new ATOM 0 HB VAL A 7 13.304 -0.673 -15.565 1.00 53.11 H new ATOM 0 HG11 VAL A 7 14.151 -2.895 -16.194 1.00 20.00 H new ATOM 0 HG12 VAL A 7 13.649 -2.838 -14.488 1.00 20.00 H new ATOM 0 HG13 VAL A 7 12.604 -3.621 -15.697 1.00 20.00 H new ATOM 0 HG21 VAL A 7 13.024 -1.476 -17.875 1.00 64.44 H new ATOM 0 HG22 VAL A 7 11.431 -2.143 -17.446 1.00 64.44 H new ATOM 0 HG23 VAL A 7 11.704 -0.385 -17.390 1.00 64.44 H new ATOM 107 N LYS A 8 11.203 1.068 -14.443 1.00 61.11 N ATOM 108 CA LYS A 8 10.652 2.407 -14.615 1.00 71.34 C ATOM 109 C LYS A 8 11.634 3.466 -14.126 1.00 52.50 C ATOM 110 O LYS A 8 11.450 4.078 -13.074 1.00 4.45 O ATOM 111 CB LYS A 8 9.327 2.536 -13.860 1.00 41.33 C ATOM 112 CG LYS A 8 8.111 2.196 -14.704 1.00 34.24 C ATOM 113 CD LYS A 8 6.886 2.975 -14.256 1.00 14.35 C ATOM 114 CE LYS A 8 6.347 3.857 -15.372 1.00 2.24 C ATOM 115 NZ LYS A 8 4.861 3.949 -15.338 1.00 62.22 N ATOM 0 H LYS A 8 11.979 1.013 -13.783 1.00 61.11 H new ATOM 0 HA LYS A 8 10.474 2.566 -15.678 1.00 71.34 H new ATOM 0 HB2 LYS A 8 9.349 1.881 -12.989 1.00 41.33 H new ATOM 0 HB3 LYS A 8 9.228 3.556 -13.489 1.00 41.33 H new ATOM 0 HG2 LYS A 8 8.320 2.416 -15.751 1.00 34.24 H new ATOM 0 HG3 LYS A 8 7.908 1.127 -14.637 1.00 34.24 H new ATOM 0 HD2 LYS A 8 6.110 2.281 -13.933 1.00 14.35 H new ATOM 0 HD3 LYS A 8 7.141 3.592 -13.394 1.00 14.35 H new ATOM 0 HE2 LYS A 8 6.775 4.856 -15.284 1.00 2.24 H new ATOM 0 HE3 LYS A 8 6.664 3.458 -16.335 1.00 2.24 H new ATOM 0 HZ1 LYS A 8 4.533 4.559 -16.114 1.00 62.22 H new ATOM 0 HZ2 LYS A 8 4.452 2.999 -15.447 1.00 62.22 H new ATOM 0 HZ3 LYS A 8 4.559 4.354 -14.429 1.00 62.22 H new ATOM 129 N PRO A 9 12.701 3.691 -14.907 1.00 2.13 N ATOM 130 CA PRO A 9 13.732 4.679 -14.574 1.00 32.15 C ATOM 131 C PRO A 9 13.222 6.111 -14.691 1.00 53.02 C ATOM 132 O PRO A 9 12.667 6.500 -15.719 1.00 34.13 O ATOM 133 CB PRO A 9 14.826 4.414 -15.611 1.00 74.10 C ATOM 134 CG PRO A 9 14.112 3.798 -16.765 1.00 2.31 C ATOM 135 CD PRO A 9 12.984 2.998 -16.175 1.00 53.41 C ATOM 0 HA PRO A 9 14.071 4.582 -13.543 1.00 32.15 H new ATOM 0 HB2 PRO A 9 15.327 5.337 -15.902 1.00 74.10 H new ATOM 0 HB3 PRO A 9 15.592 3.746 -15.217 1.00 74.10 H new ATOM 0 HG2 PRO A 9 13.735 4.563 -17.444 1.00 2.31 H new ATOM 0 HG3 PRO A 9 14.781 3.161 -17.343 1.00 2.31 H new ATOM 0 HD2 PRO A 9 12.113 2.988 -16.830 1.00 53.41 H new ATOM 0 HD3 PRO A 9 13.271 1.960 -16.010 1.00 53.41 H new ATOM 143 N SER A 10 13.414 6.892 -13.633 1.00 31.33 N ATOM 144 CA SER A 10 12.970 8.281 -13.616 1.00 60.45 C ATOM 145 C SER A 10 13.332 8.951 -12.295 1.00 5.31 C ATOM 146 O SER A 10 13.590 8.294 -11.286 1.00 40.40 O ATOM 147 CB SER A 10 11.459 8.358 -13.843 1.00 70.11 C ATOM 148 OG SER A 10 10.774 8.614 -12.629 1.00 73.54 O ATOM 0 H SER A 10 13.874 6.586 -12.776 1.00 31.33 H new ATOM 0 HA SER A 10 13.479 8.809 -14.422 1.00 60.45 H new ATOM 0 HB2 SER A 10 11.236 9.145 -14.563 1.00 70.11 H new ATOM 0 HB3 SER A 10 11.104 7.422 -14.274 1.00 70.11 H new ATOM 0 HG SER A 10 9.810 8.660 -12.801 1.00 73.54 H new ATOM 154 N PRO A 11 13.353 10.292 -12.299 1.00 44.53 N ATOM 155 CA PRO A 11 13.682 11.083 -11.109 1.00 63.14 C ATOM 156 C PRO A 11 12.595 11.006 -10.043 1.00 73.34 C ATOM 157 O PRO A 11 11.517 10.460 -10.280 1.00 73.43 O ATOM 158 CB PRO A 11 13.799 12.509 -11.652 1.00 53.42 C ATOM 159 CG PRO A 11 12.949 12.519 -12.876 1.00 45.52 C ATOM 160 CD PRO A 11 13.057 11.140 -13.466 1.00 50.51 C ATOM 0 HA PRO A 11 14.587 10.724 -10.618 1.00 63.14 H new ATOM 0 HB2 PRO A 11 13.451 13.240 -10.922 1.00 53.42 H new ATOM 0 HB3 PRO A 11 14.834 12.760 -11.886 1.00 53.42 H new ATOM 0 HG2 PRO A 11 11.914 12.759 -12.631 1.00 45.52 H new ATOM 0 HG3 PRO A 11 13.292 13.274 -13.583 1.00 45.52 H new ATOM 0 HD2 PRO A 11 12.131 10.839 -13.957 1.00 50.51 H new ATOM 0 HD3 PRO A 11 13.847 11.084 -14.214 1.00 50.51 H new ATOM 168 N HIS A 12 12.884 11.556 -8.868 1.00 51.25 N ATOM 169 CA HIS A 12 11.929 11.550 -7.766 1.00 1.42 C ATOM 170 C HIS A 12 12.250 12.655 -6.763 1.00 64.51 C ATOM 171 O HIS A 12 13.179 12.531 -5.964 1.00 71.22 O ATOM 172 CB HIS A 12 11.935 10.191 -7.065 1.00 44.51 C ATOM 173 CG HIS A 12 10.571 9.712 -6.677 1.00 31.55 C ATOM 174 ND1 HIS A 12 10.137 8.421 -6.893 1.00 61.33 N ATOM 175 CD2 HIS A 12 9.542 10.358 -6.080 1.00 73.42 C ATOM 176 CE1 HIS A 12 8.900 8.294 -6.449 1.00 34.03 C ATOM 177 NE2 HIS A 12 8.515 9.455 -5.950 1.00 40.00 N ATOM 0 H HIS A 12 13.771 12.011 -8.655 1.00 51.25 H new ATOM 0 HA HIS A 12 10.936 11.734 -8.177 1.00 1.42 H new ATOM 0 HB2 HIS A 12 12.396 9.454 -7.722 1.00 44.51 H new ATOM 0 HB3 HIS A 12 12.556 10.255 -6.172 1.00 44.51 H new ATOM 0 HD2 HIS A 12 9.531 11.391 -5.765 1.00 73.42 H new ATOM 0 HE1 HIS A 12 8.304 7.394 -6.487 1.00 34.03 H new ATOM 0 HE2 HIS A 12 7.603 9.649 -5.536 1.00 40.00 H new ATOM 185 N VAL A 13 11.477 13.735 -6.811 1.00 70.42 N ATOM 186 CA VAL A 13 11.679 14.860 -5.907 1.00 50.52 C ATOM 187 C VAL A 13 10.469 15.062 -5.001 1.00 64.32 C ATOM 188 O VAL A 13 9.328 14.876 -5.423 1.00 74.22 O ATOM 189 CB VAL A 13 11.947 16.163 -6.684 1.00 50.11 C ATOM 190 CG1 VAL A 13 10.719 16.571 -7.483 1.00 73.45 C ATOM 191 CG2 VAL A 13 12.367 17.274 -5.733 1.00 32.50 C ATOM 0 H VAL A 13 10.705 13.854 -7.467 1.00 70.42 H new ATOM 0 HA VAL A 13 12.551 14.623 -5.297 1.00 50.52 H new ATOM 0 HB VAL A 13 12.764 15.986 -7.384 1.00 50.11 H new ATOM 0 HG11 VAL A 13 10.928 17.493 -8.025 1.00 73.45 H new ATOM 0 HG12 VAL A 13 10.468 15.782 -8.192 1.00 73.45 H new ATOM 0 HG13 VAL A 13 9.880 16.730 -6.805 1.00 73.45 H new ATOM 0 HG21 VAL A 13 12.552 18.187 -6.299 1.00 32.50 H new ATOM 0 HG22 VAL A 13 11.573 17.452 -5.008 1.00 32.50 H new ATOM 0 HG23 VAL A 13 13.277 16.981 -5.210 1.00 32.50 H new ATOM 201 N ILE A 14 10.728 15.443 -3.755 1.00 34.11 N ATOM 202 CA ILE A 14 9.660 15.671 -2.790 1.00 14.05 C ATOM 203 C ILE A 14 9.768 17.059 -2.167 1.00 63.12 C ATOM 204 O ILE A 14 10.743 17.777 -2.390 1.00 23.01 O ATOM 205 CB ILE A 14 9.679 14.615 -1.669 1.00 11.14 C ATOM 206 CG1 ILE A 14 11.033 14.620 -0.957 1.00 23.12 C ATOM 207 CG2 ILE A 14 9.377 13.236 -2.235 1.00 30.30 C ATOM 208 CD1 ILE A 14 11.104 15.592 0.200 1.00 23.43 C ATOM 0 H ILE A 14 11.667 15.600 -3.390 1.00 34.11 H new ATOM 0 HA ILE A 14 8.720 15.593 -3.336 1.00 14.05 H new ATOM 0 HB ILE A 14 8.906 14.865 -0.942 1.00 11.14 H new ATOM 0 HG12 ILE A 14 11.245 13.616 -0.591 1.00 23.12 H new ATOM 0 HG13 ILE A 14 11.812 14.868 -1.678 1.00 23.12 H new ATOM 0 HG21 ILE A 14 9.394 12.501 -1.430 1.00 30.30 H new ATOM 0 HG22 ILE A 14 8.391 13.242 -2.701 1.00 30.30 H new ATOM 0 HG23 ILE A 14 10.129 12.976 -2.980 1.00 30.30 H new ATOM 0 HD11 ILE A 14 12.092 15.542 0.657 1.00 23.43 H new ATOM 0 HD12 ILE A 14 10.923 16.604 -0.163 1.00 23.43 H new ATOM 0 HD13 ILE A 14 10.348 15.332 0.941 1.00 23.43 H new ATOM 220 N LYS A 15 8.761 17.431 -1.384 1.00 24.50 N ATOM 221 CA LYS A 15 8.744 18.731 -0.725 1.00 55.23 C ATOM 222 C LYS A 15 7.824 18.712 0.492 1.00 41.34 C ATOM 223 O LYS A 15 7.303 19.748 0.904 1.00 55.45 O ATOM 224 CB LYS A 15 8.288 19.816 -1.705 1.00 25.43 C ATOM 225 CG LYS A 15 8.725 21.215 -1.308 1.00 44.24 C ATOM 226 CD LYS A 15 9.089 22.051 -2.524 1.00 40.02 C ATOM 227 CE LYS A 15 10.596 22.168 -2.690 1.00 25.32 C ATOM 228 NZ LYS A 15 11.134 21.138 -3.622 1.00 35.35 N ATOM 0 H LYS A 15 7.945 16.850 -1.190 1.00 24.50 H new ATOM 0 HA LYS A 15 9.757 18.954 -0.390 1.00 55.23 H new ATOM 0 HB2 LYS A 15 8.682 19.588 -2.695 1.00 25.43 H new ATOM 0 HB3 LYS A 15 7.201 19.792 -1.781 1.00 25.43 H new ATOM 0 HG2 LYS A 15 7.923 21.705 -0.755 1.00 44.24 H new ATOM 0 HG3 LYS A 15 9.582 21.153 -0.638 1.00 44.24 H new ATOM 0 HD2 LYS A 15 8.657 21.601 -3.418 1.00 40.02 H new ATOM 0 HD3 LYS A 15 8.655 23.046 -2.426 1.00 40.02 H new ATOM 0 HE2 LYS A 15 10.844 23.161 -3.064 1.00 25.32 H new ATOM 0 HE3 LYS A 15 11.077 22.065 -1.718 1.00 25.32 H new ATOM 0 HZ1 LYS A 15 12.164 21.252 -3.708 1.00 35.35 H new ATOM 0 HZ2 LYS A 15 10.920 20.190 -3.252 1.00 35.35 H new ATOM 0 HZ3 LYS A 15 10.694 21.252 -4.557 1.00 35.35 H new ATOM 242 N SER A 16 7.631 17.528 1.064 1.00 41.05 N ATOM 243 CA SER A 16 6.773 17.374 2.232 1.00 13.33 C ATOM 244 C SER A 16 7.239 16.208 3.099 1.00 54.31 C ATOM 245 O SER A 16 7.965 15.327 2.637 1.00 42.52 O ATOM 246 CB SER A 16 5.322 17.156 1.800 1.00 35.42 C ATOM 247 OG SER A 16 4.540 18.315 2.031 1.00 44.33 O ATOM 0 H SER A 16 8.058 16.661 0.737 1.00 41.05 H new ATOM 0 HA SER A 16 6.835 18.289 2.821 1.00 13.33 H new ATOM 0 HB2 SER A 16 5.290 16.897 0.742 1.00 35.42 H new ATOM 0 HB3 SER A 16 4.899 16.314 2.347 1.00 35.42 H new ATOM 0 HG SER A 16 3.617 18.150 1.745 1.00 44.33 H new ATOM 253 N LEU A 17 6.815 16.209 4.358 1.00 4.51 N ATOM 254 CA LEU A 17 7.188 15.152 5.291 1.00 2.15 C ATOM 255 C LEU A 17 6.468 13.850 4.956 1.00 54.42 C ATOM 256 O LEU A 17 7.098 12.808 4.783 1.00 43.15 O ATOM 257 CB LEU A 17 6.863 15.573 6.726 1.00 43.12 C ATOM 258 CG LEU A 17 7.848 15.110 7.800 1.00 12.54 C ATOM 259 CD1 LEU A 17 9.205 15.766 7.599 1.00 50.32 C ATOM 260 CD2 LEU A 17 7.306 15.418 9.189 1.00 55.35 C ATOM 0 H LEU A 17 6.213 16.930 4.756 1.00 4.51 H new ATOM 0 HA LEU A 17 8.261 14.985 5.202 1.00 2.15 H new ATOM 0 HB2 LEU A 17 6.804 16.661 6.760 1.00 43.12 H new ATOM 0 HB3 LEU A 17 5.874 15.192 6.980 1.00 43.12 H new ATOM 0 HG LEU A 17 7.972 14.031 7.710 1.00 12.54 H new ATOM 0 HD11 LEU A 17 9.892 15.424 8.373 1.00 50.32 H new ATOM 0 HD12 LEU A 17 9.598 15.496 6.619 1.00 50.32 H new ATOM 0 HD13 LEU A 17 9.098 16.849 7.661 1.00 50.32 H new ATOM 0 HD21 LEU A 17 8.020 15.082 9.941 1.00 55.35 H new ATOM 0 HD22 LEU A 17 7.152 16.492 9.290 1.00 55.35 H new ATOM 0 HD23 LEU A 17 6.357 14.901 9.332 1.00 55.35 H new ATOM 272 N GLU A 18 5.143 13.920 4.864 1.00 62.32 N ATOM 273 CA GLU A 18 4.338 12.746 4.547 1.00 14.22 C ATOM 274 C GLU A 18 4.856 12.054 3.290 1.00 30.51 C ATOM 275 O GLU A 18 5.049 10.838 3.274 1.00 54.40 O ATOM 276 CB GLU A 18 2.872 13.142 4.357 1.00 40.41 C ATOM 277 CG GLU A 18 1.889 12.100 4.863 1.00 61.13 C ATOM 278 CD GLU A 18 0.506 12.263 4.263 1.00 32.02 C ATOM 279 OE1 GLU A 18 -0.485 12.109 5.008 1.00 22.21 O ATOM 280 OE2 GLU A 18 0.414 12.544 3.050 1.00 13.22 O ATOM 0 H GLU A 18 4.606 14.776 5.004 1.00 62.32 H new ATOM 0 HA GLU A 18 4.414 12.049 5.382 1.00 14.22 H new ATOM 0 HB2 GLU A 18 2.689 14.084 4.875 1.00 40.41 H new ATOM 0 HB3 GLU A 18 2.687 13.320 3.298 1.00 40.41 H new ATOM 0 HG2 GLU A 18 2.268 11.105 4.629 1.00 61.13 H new ATOM 0 HG3 GLU A 18 1.820 12.168 5.949 1.00 61.13 H new ATOM 287 N GLU A 19 5.079 12.837 2.239 1.00 34.41 N ATOM 288 CA GLU A 19 5.573 12.298 0.977 1.00 0.24 C ATOM 289 C GLU A 19 6.809 11.432 1.202 1.00 3.45 C ATOM 290 O GLU A 19 7.004 10.420 0.528 1.00 52.32 O ATOM 291 CB GLU A 19 5.902 13.434 0.007 1.00 44.23 C ATOM 292 CG GLU A 19 6.020 12.984 -1.440 1.00 14.02 C ATOM 293 CD GLU A 19 4.671 12.847 -2.119 1.00 71.12 C ATOM 294 OE1 GLU A 19 3.784 13.685 -1.851 1.00 64.13 O ATOM 295 OE2 GLU A 19 4.502 11.902 -2.918 1.00 54.31 O ATOM 0 H GLU A 19 4.926 13.845 2.236 1.00 34.41 H new ATOM 0 HA GLU A 19 4.789 11.676 0.545 1.00 0.24 H new ATOM 0 HB2 GLU A 19 5.128 14.198 0.079 1.00 44.23 H new ATOM 0 HB3 GLU A 19 6.839 13.900 0.311 1.00 44.23 H new ATOM 0 HG2 GLU A 19 6.629 13.701 -1.991 1.00 14.02 H new ATOM 0 HG3 GLU A 19 6.541 12.027 -1.478 1.00 14.02 H new ATOM 302 N LEU A 20 7.642 11.837 2.155 1.00 44.44 N ATOM 303 CA LEU A 20 8.861 11.100 2.470 1.00 60.14 C ATOM 304 C LEU A 20 8.535 9.776 3.153 1.00 71.32 C ATOM 305 O LEU A 20 8.806 8.704 2.612 1.00 25.41 O ATOM 306 CB LEU A 20 9.771 11.940 3.368 1.00 61.44 C ATOM 307 CG LEU A 20 11.273 11.804 3.115 1.00 1.42 C ATOM 308 CD1 LEU A 20 11.681 12.600 1.885 1.00 64.10 C ATOM 309 CD2 LEU A 20 12.062 12.261 4.334 1.00 40.03 C ATOM 0 H LEU A 20 7.495 12.672 2.723 1.00 44.44 H new ATOM 0 HA LEU A 20 9.380 10.888 1.535 1.00 60.14 H new ATOM 0 HB2 LEU A 20 9.496 12.988 3.251 1.00 61.44 H new ATOM 0 HB3 LEU A 20 9.572 11.672 4.406 1.00 61.44 H new ATOM 0 HG LEU A 20 11.498 10.753 2.934 1.00 1.42 H new ATOM 0 HD11 LEU A 20 12.753 12.491 1.720 1.00 64.10 H new ATOM 0 HD12 LEU A 20 11.141 12.227 1.015 1.00 64.10 H new ATOM 0 HD13 LEU A 20 11.442 13.653 2.037 1.00 64.10 H new ATOM 0 HD21 LEU A 20 13.129 12.157 4.137 1.00 40.03 H new ATOM 0 HD22 LEU A 20 11.832 13.305 4.546 1.00 40.03 H new ATOM 0 HD23 LEU A 20 11.791 11.648 5.194 1.00 40.03 H new ATOM 321 N ARG A 21 7.949 9.858 4.343 1.00 42.31 N ATOM 322 CA ARG A 21 7.585 8.667 5.099 1.00 31.55 C ATOM 323 C ARG A 21 6.758 7.711 4.244 1.00 42.11 C ATOM 324 O ARG A 21 6.797 6.497 4.439 1.00 24.20 O ATOM 325 CB ARG A 21 6.800 9.053 6.354 1.00 2.24 C ATOM 326 CG ARG A 21 6.807 7.981 7.431 1.00 33.34 C ATOM 327 CD ARG A 21 5.555 8.049 8.293 1.00 63.53 C ATOM 328 NE ARG A 21 4.345 7.775 7.522 1.00 21.23 N ATOM 329 CZ ARG A 21 4.005 6.564 7.094 1.00 50.45 C ATOM 330 NH1 ARG A 21 4.779 5.522 7.359 1.00 65.50 N ATOM 331 NH2 ARG A 21 2.888 6.395 6.398 1.00 13.30 N ATOM 0 H ARG A 21 7.716 10.738 4.804 1.00 42.31 H new ATOM 0 HA ARG A 21 8.504 8.161 5.394 1.00 31.55 H new ATOM 0 HB2 ARG A 21 7.218 9.972 6.765 1.00 2.24 H new ATOM 0 HB3 ARG A 21 5.769 9.269 6.075 1.00 2.24 H new ATOM 0 HG2 ARG A 21 6.877 6.997 6.966 1.00 33.34 H new ATOM 0 HG3 ARG A 21 7.690 8.101 8.059 1.00 33.34 H new ATOM 0 HD2 ARG A 21 5.636 7.330 9.108 1.00 63.53 H new ATOM 0 HD3 ARG A 21 5.480 9.037 8.746 1.00 63.53 H new ATOM 0 HE ARG A 21 3.727 8.556 7.300 1.00 21.23 H new ATOM 0 HH11 ARG A 21 5.639 5.648 7.893 1.00 65.50 H new ATOM 0 HH12 ARG A 21 4.515 4.594 7.029 1.00 65.50 H new ATOM 0 HH21 ARG A 21 2.290 7.195 6.191 1.00 13.30 H new ATOM 0 HH22 ARG A 21 2.627 5.465 6.070 1.00 13.30 H new ATOM 345 N GLU A 22 6.011 8.269 3.297 1.00 54.02 N ATOM 346 CA GLU A 22 5.174 7.466 2.413 1.00 72.10 C ATOM 347 C GLU A 22 6.012 6.805 1.323 1.00 71.35 C ATOM 348 O GLU A 22 5.724 5.687 0.896 1.00 24.32 O ATOM 349 CB GLU A 22 4.084 8.333 1.779 1.00 42.03 C ATOM 350 CG GLU A 22 3.083 7.544 0.951 1.00 2.15 C ATOM 351 CD GLU A 22 2.101 6.769 1.808 1.00 52.01 C ATOM 352 OE1 GLU A 22 0.906 7.133 1.815 1.00 31.44 O ATOM 353 OE2 GLU A 22 2.526 5.800 2.470 1.00 22.13 O ATOM 0 H GLU A 22 5.968 9.273 3.122 1.00 54.02 H new ATOM 0 HA GLU A 22 4.704 6.684 3.010 1.00 72.10 H new ATOM 0 HB2 GLU A 22 3.551 8.866 2.567 1.00 42.03 H new ATOM 0 HB3 GLU A 22 4.553 9.086 1.146 1.00 42.03 H new ATOM 0 HG2 GLU A 22 2.534 8.227 0.303 1.00 2.15 H new ATOM 0 HG3 GLU A 22 3.619 6.851 0.302 1.00 2.15 H new ATOM 360 N ALA A 23 7.049 7.505 0.876 1.00 64.23 N ATOM 361 CA ALA A 23 7.930 6.986 -0.163 1.00 43.24 C ATOM 362 C ALA A 23 8.786 5.840 0.364 1.00 31.51 C ATOM 363 O ALA A 23 9.258 4.999 -0.402 1.00 41.14 O ATOM 364 CB ALA A 23 8.813 8.098 -0.710 1.00 44.20 C ATOM 0 H ALA A 23 7.300 8.433 1.217 1.00 64.23 H new ATOM 0 HA ALA A 23 7.309 6.599 -0.971 1.00 43.24 H new ATOM 0 HB1 ALA A 23 9.466 7.696 -1.485 1.00 44.20 H new ATOM 0 HB2 ALA A 23 8.188 8.884 -1.134 1.00 44.20 H new ATOM 0 HB3 ALA A 23 9.419 8.511 0.096 1.00 44.20 H new ATOM 370 N THR A 24 8.983 5.810 1.679 1.00 42.45 N ATOM 371 CA THR A 24 9.784 4.768 2.308 1.00 13.03 C ATOM 372 C THR A 24 9.027 3.445 2.353 1.00 10.54 C ATOM 373 O THR A 24 9.626 2.381 2.505 1.00 44.53 O ATOM 374 CB THR A 24 10.192 5.162 3.740 1.00 23.44 C ATOM 375 OG1 THR A 24 9.371 6.238 4.206 1.00 42.53 O ATOM 376 CG2 THR A 24 11.656 5.574 3.791 1.00 14.34 C ATOM 0 H THR A 24 8.598 6.496 2.329 1.00 42.45 H new ATOM 0 HA THR A 24 10.682 4.649 1.702 1.00 13.03 H new ATOM 0 HB THR A 24 10.052 4.295 4.385 1.00 23.44 H new ATOM 0 HG1 THR A 24 8.469 5.904 4.393 1.00 42.53 H new ATOM 0 HG21 THR A 24 11.922 5.848 4.812 1.00 14.34 H new ATOM 0 HG22 THR A 24 12.280 4.742 3.465 1.00 14.34 H new ATOM 0 HG23 THR A 24 11.817 6.428 3.133 1.00 14.34 H new ATOM 384 N ALA A 25 7.707 3.520 2.220 1.00 33.44 N ATOM 385 CA ALA A 25 6.869 2.327 2.243 1.00 15.42 C ATOM 386 C ALA A 25 6.577 1.834 0.830 1.00 24.20 C ATOM 387 O ALA A 25 5.708 0.987 0.625 1.00 61.22 O ATOM 388 CB ALA A 25 5.570 2.609 2.984 1.00 53.42 C ATOM 0 H ALA A 25 7.195 4.393 2.095 1.00 33.44 H new ATOM 0 HA ALA A 25 7.412 1.542 2.769 1.00 15.42 H new ATOM 0 HB1 ALA A 25 4.954 1.710 2.994 1.00 53.42 H new ATOM 0 HB2 ALA A 25 5.793 2.907 4.008 1.00 53.42 H new ATOM 0 HB3 ALA A 25 5.031 3.412 2.481 1.00 53.42 H new ATOM 394 N SER A 26 7.310 2.370 -0.142 1.00 35.55 N ATOM 395 CA SER A 26 7.126 1.986 -1.537 1.00 4.55 C ATOM 396 C SER A 26 7.303 0.481 -1.714 1.00 53.53 C ATOM 397 O SER A 26 7.586 -0.238 -0.758 1.00 30.41 O ATOM 398 CB SER A 26 8.118 2.736 -2.428 1.00 3.42 C ATOM 399 OG SER A 26 7.543 3.924 -2.944 1.00 2.21 O ATOM 0 H SER A 26 8.036 3.070 0.011 1.00 35.55 H new ATOM 0 HA SER A 26 6.111 2.252 -1.831 1.00 4.55 H new ATOM 0 HB2 SER A 26 9.013 2.980 -1.856 1.00 3.42 H new ATOM 0 HB3 SER A 26 8.431 2.093 -3.250 1.00 3.42 H new ATOM 0 HG SER A 26 8.198 4.386 -3.509 1.00 2.21 H new ATOM 405 N ASN A 27 7.133 0.014 -2.947 1.00 35.43 N ATOM 406 CA ASN A 27 7.272 -1.406 -3.251 1.00 51.34 C ATOM 407 C ASN A 27 8.396 -1.638 -4.257 1.00 34.52 C ATOM 408 O ASN A 27 8.190 -2.260 -5.299 1.00 64.33 O ATOM 409 CB ASN A 27 5.957 -1.962 -3.801 1.00 60.22 C ATOM 410 CG ASN A 27 5.576 -1.338 -5.130 1.00 33.13 C ATOM 411 OD1 ASN A 27 5.662 -1.979 -6.177 1.00 62.40 O ATOM 412 ND2 ASN A 27 5.151 -0.080 -5.092 1.00 62.42 N ATOM 0 H ASN A 27 6.899 0.597 -3.751 1.00 35.43 H new ATOM 0 HA ASN A 27 7.521 -1.928 -2.327 1.00 51.34 H new ATOM 0 HB2 ASN A 27 6.044 -3.042 -3.922 1.00 60.22 H new ATOM 0 HB3 ASN A 27 5.160 -1.785 -3.078 1.00 60.22 H new ATOM 0 HD21 ASN A 27 4.880 0.393 -5.954 1.00 62.42 H new ATOM 0 HD22 ASN A 27 5.096 0.413 -4.201 1.00 62.42 H new ATOM 419 N ARG A 28 9.583 -1.135 -3.936 1.00 20.42 N ATOM 420 CA ARG A 28 10.739 -1.288 -4.811 1.00 2.22 C ATOM 421 C ARG A 28 12.030 -0.952 -4.070 1.00 30.05 C ATOM 422 O ARG A 28 12.033 -0.794 -2.848 1.00 72.13 O ATOM 423 CB ARG A 28 10.596 -0.390 -6.041 1.00 5.31 C ATOM 424 CG ARG A 28 10.852 1.081 -5.754 1.00 63.13 C ATOM 425 CD ARG A 28 10.759 1.919 -7.019 1.00 43.54 C ATOM 426 NE ARG A 28 9.403 1.947 -7.559 1.00 54.13 N ATOM 427 CZ ARG A 28 9.119 2.257 -8.820 1.00 23.14 C ATOM 428 NH1 ARG A 28 10.093 2.563 -9.665 1.00 43.34 N ATOM 429 NH2 ARG A 28 7.860 2.260 -9.236 1.00 55.12 N ATOM 0 H ARG A 28 9.770 -0.618 -3.077 1.00 20.42 H new ATOM 0 HA ARG A 28 10.785 -2.329 -5.132 1.00 2.22 H new ATOM 0 HB2 ARG A 28 11.291 -0.728 -6.810 1.00 5.31 H new ATOM 0 HB3 ARG A 28 9.591 -0.503 -6.448 1.00 5.31 H new ATOM 0 HG2 ARG A 28 10.128 1.442 -5.023 1.00 63.13 H new ATOM 0 HG3 ARG A 28 11.840 1.200 -5.309 1.00 63.13 H new ATOM 0 HD2 ARG A 28 11.085 2.937 -6.804 1.00 43.54 H new ATOM 0 HD3 ARG A 28 11.440 1.518 -7.770 1.00 43.54 H new ATOM 0 HE ARG A 28 8.631 1.716 -6.934 1.00 54.13 H new ATOM 0 HH11 ARG A 28 11.063 2.561 -9.348 1.00 43.34 H new ATOM 0 HH12 ARG A 28 9.873 2.801 -10.632 1.00 43.34 H new ATOM 0 HH21 ARG A 28 7.108 2.024 -8.588 1.00 55.12 H new ATOM 0 HH22 ARG A 28 7.643 2.498 -10.204 1.00 55.12 H new ATOM 443 N ILE A 29 13.124 -0.845 -4.816 1.00 20.11 N ATOM 444 CA ILE A 29 14.420 -0.528 -4.229 1.00 42.25 C ATOM 445 C ILE A 29 14.812 0.919 -4.512 1.00 61.41 C ATOM 446 O ILE A 29 15.693 1.185 -5.330 1.00 13.52 O ATOM 447 CB ILE A 29 15.523 -1.460 -4.764 1.00 23.54 C ATOM 448 CG1 ILE A 29 15.068 -2.919 -4.690 1.00 74.35 C ATOM 449 CG2 ILE A 29 16.811 -1.262 -3.978 1.00 31.01 C ATOM 450 CD1 ILE A 29 14.749 -3.521 -6.041 1.00 70.21 C ATOM 0 H ILE A 29 13.139 -0.973 -5.828 1.00 20.11 H new ATOM 0 HA ILE A 29 14.323 -0.673 -3.153 1.00 42.25 H new ATOM 0 HB ILE A 29 15.714 -1.210 -5.808 1.00 23.54 H new ATOM 0 HG12 ILE A 29 15.849 -3.511 -4.213 1.00 74.35 H new ATOM 0 HG13 ILE A 29 14.185 -2.984 -4.054 1.00 74.35 H new ATOM 0 HG21 ILE A 29 17.581 -1.928 -4.368 1.00 31.01 H new ATOM 0 HG22 ILE A 29 17.142 -0.228 -4.076 1.00 31.01 H new ATOM 0 HG23 ILE A 29 16.634 -1.488 -2.927 1.00 31.01 H new ATOM 0 HD11 ILE A 29 14.433 -4.556 -5.913 1.00 70.21 H new ATOM 0 HD12 ILE A 29 13.947 -2.953 -6.512 1.00 70.21 H new ATOM 0 HD13 ILE A 29 15.637 -3.488 -6.673 1.00 70.21 H new ATOM 462 N SER A 30 14.153 1.849 -3.829 1.00 22.14 N ATOM 463 CA SER A 30 14.431 3.269 -4.007 1.00 41.12 C ATOM 464 C SER A 30 15.630 3.698 -3.167 1.00 65.23 C ATOM 465 O SER A 30 15.793 3.261 -2.028 1.00 65.41 O ATOM 466 CB SER A 30 13.205 4.102 -3.628 1.00 60.04 C ATOM 467 OG SER A 30 12.062 3.686 -4.355 1.00 53.10 O ATOM 0 H SER A 30 13.423 1.645 -3.147 1.00 22.14 H new ATOM 0 HA SER A 30 14.666 3.438 -5.058 1.00 41.12 H new ATOM 0 HB2 SER A 30 13.014 4.008 -2.559 1.00 60.04 H new ATOM 0 HB3 SER A 30 13.402 5.156 -3.825 1.00 60.04 H new ATOM 0 HG SER A 30 12.021 4.171 -5.206 1.00 53.10 H new ATOM 473 N VAL A 31 16.468 4.557 -3.739 1.00 4.12 N ATOM 474 CA VAL A 31 17.653 5.047 -3.044 1.00 31.01 C ATOM 475 C VAL A 31 17.402 6.420 -2.432 1.00 1.45 C ATOM 476 O VAL A 31 17.469 7.439 -3.119 1.00 44.45 O ATOM 477 CB VAL A 31 18.864 5.133 -3.991 1.00 61.14 C ATOM 478 CG1 VAL A 31 20.135 5.424 -3.208 1.00 42.34 C ATOM 479 CG2 VAL A 31 19.005 3.848 -4.793 1.00 71.14 C ATOM 0 H VAL A 31 16.348 4.928 -4.682 1.00 4.12 H new ATOM 0 HA VAL A 31 17.872 4.333 -2.250 1.00 31.01 H new ATOM 0 HB VAL A 31 18.700 5.954 -4.689 1.00 61.14 H new ATOM 0 HG11 VAL A 31 20.980 5.481 -3.894 1.00 42.34 H new ATOM 0 HG12 VAL A 31 20.029 6.373 -2.683 1.00 42.34 H new ATOM 0 HG13 VAL A 31 20.308 4.627 -2.485 1.00 42.34 H new ATOM 0 HG21 VAL A 31 19.866 3.926 -5.457 1.00 71.14 H new ATOM 0 HG22 VAL A 31 19.147 3.008 -4.113 1.00 71.14 H new ATOM 0 HG23 VAL A 31 18.104 3.688 -5.385 1.00 71.14 H new ATOM 489 N ILE A 32 17.113 6.440 -1.135 1.00 3.03 N ATOM 490 CA ILE A 32 16.854 7.689 -0.429 1.00 61.12 C ATOM 491 C ILE A 32 18.155 8.411 -0.094 1.00 54.35 C ATOM 492 O ILE A 32 18.958 7.929 0.704 1.00 72.31 O ATOM 493 CB ILE A 32 16.065 7.448 0.871 1.00 73.50 C ATOM 494 CG1 ILE A 32 14.746 6.734 0.568 1.00 72.44 C ATOM 495 CG2 ILE A 32 15.808 8.765 1.587 1.00 55.22 C ATOM 496 CD1 ILE A 32 14.469 5.561 1.482 1.00 22.02 C ATOM 0 H ILE A 32 17.052 5.605 -0.552 1.00 3.03 H new ATOM 0 HA ILE A 32 16.257 8.311 -1.097 1.00 61.12 H new ATOM 0 HB ILE A 32 16.659 6.811 1.526 1.00 73.50 H new ATOM 0 HG12 ILE A 32 13.928 7.449 0.651 1.00 72.44 H new ATOM 0 HG13 ILE A 32 14.761 6.384 -0.464 1.00 72.44 H new ATOM 0 HG21 ILE A 32 15.249 8.578 2.504 1.00 55.22 H new ATOM 0 HG22 ILE A 32 16.759 9.238 1.832 1.00 55.22 H new ATOM 0 HG23 ILE A 32 15.231 9.425 0.939 1.00 55.22 H new ATOM 0 HD11 ILE A 32 13.518 5.104 1.209 1.00 22.02 H new ATOM 0 HD12 ILE A 32 15.267 4.826 1.382 1.00 22.02 H new ATOM 0 HD13 ILE A 32 14.422 5.907 2.514 1.00 22.02 H new ATOM 508 N VAL A 33 18.355 9.573 -0.709 1.00 62.22 N ATOM 509 CA VAL A 33 19.557 10.364 -0.475 1.00 11.44 C ATOM 510 C VAL A 33 19.205 11.792 -0.073 1.00 54.30 C ATOM 511 O VAL A 33 18.444 12.473 -0.762 1.00 64.11 O ATOM 512 CB VAL A 33 20.457 10.401 -1.724 1.00 3.44 C ATOM 513 CG1 VAL A 33 21.755 11.137 -1.425 1.00 54.42 C ATOM 514 CG2 VAL A 33 20.737 8.991 -2.220 1.00 61.02 C ATOM 0 H VAL A 33 17.700 9.987 -1.373 1.00 62.22 H new ATOM 0 HA VAL A 33 20.099 9.883 0.339 1.00 11.44 H new ATOM 0 HB VAL A 33 19.933 10.942 -2.512 1.00 3.44 H new ATOM 0 HG11 VAL A 33 22.378 11.153 -2.319 1.00 54.42 H new ATOM 0 HG12 VAL A 33 21.532 12.159 -1.120 1.00 54.42 H new ATOM 0 HG13 VAL A 33 22.286 10.626 -0.622 1.00 54.42 H new ATOM 0 HG21 VAL A 33 21.374 9.036 -3.103 1.00 61.02 H new ATOM 0 HG22 VAL A 33 21.241 8.423 -1.438 1.00 61.02 H new ATOM 0 HG23 VAL A 33 19.797 8.502 -2.475 1.00 61.02 H new ATOM 524 N PHE A 34 19.763 12.241 1.046 1.00 34.05 N ATOM 525 CA PHE A 34 19.507 13.589 1.541 1.00 22.20 C ATOM 526 C PHE A 34 20.708 14.497 1.290 1.00 74.21 C ATOM 527 O PHE A 34 21.825 14.201 1.716 1.00 52.44 O ATOM 528 CB PHE A 34 19.184 13.554 3.036 1.00 20.42 C ATOM 529 CG PHE A 34 19.131 12.165 3.605 1.00 20.35 C ATOM 530 CD1 PHE A 34 20.179 11.673 4.366 1.00 3.14 C ATOM 531 CD2 PHE A 34 18.033 11.351 3.379 1.00 31.52 C ATOM 532 CE1 PHE A 34 20.134 10.396 4.892 1.00 34.41 C ATOM 533 CE2 PHE A 34 17.981 10.072 3.903 1.00 44.54 C ATOM 534 CZ PHE A 34 19.033 9.594 4.659 1.00 65.11 C ATOM 0 H PHE A 34 20.396 11.691 1.628 1.00 34.05 H new ATOM 0 HA PHE A 34 18.650 13.991 1.001 1.00 22.20 H new ATOM 0 HB2 PHE A 34 19.935 14.131 3.576 1.00 20.42 H new ATOM 0 HB3 PHE A 34 18.225 14.044 3.204 1.00 20.42 H new ATOM 0 HD1 PHE A 34 21.042 12.295 4.550 1.00 3.14 H new ATOM 0 HD2 PHE A 34 17.208 11.719 2.787 1.00 31.52 H new ATOM 0 HE1 PHE A 34 20.958 10.025 5.484 1.00 34.41 H new ATOM 0 HE2 PHE A 34 17.119 9.448 3.721 1.00 44.54 H new ATOM 0 HZ PHE A 34 18.995 8.595 5.068 1.00 65.11 H new ATOM 544 N THR A 35 20.469 15.604 0.594 1.00 1.43 N ATOM 545 CA THR A 35 21.529 16.555 0.284 1.00 1.32 C ATOM 546 C THR A 35 20.985 17.977 0.198 1.00 31.33 C ATOM 547 O THR A 35 19.784 18.202 0.348 1.00 55.35 O ATOM 548 CB THR A 35 22.228 16.204 -1.043 1.00 0.31 C ATOM 549 OG1 THR A 35 23.386 17.027 -1.219 1.00 44.51 O ATOM 550 CG2 THR A 35 21.282 16.393 -2.219 1.00 70.21 C ATOM 0 H THR A 35 19.551 15.864 0.234 1.00 1.43 H new ATOM 0 HA THR A 35 22.254 16.495 1.095 1.00 1.32 H new ATOM 0 HB THR A 35 22.529 15.157 -1.004 1.00 0.31 H new ATOM 0 HG1 THR A 35 23.882 17.079 -0.375 1.00 44.51 H new ATOM 0 HG21 THR A 35 21.798 16.139 -3.145 1.00 70.21 H new ATOM 0 HG22 THR A 35 20.415 15.744 -2.097 1.00 70.21 H new ATOM 0 HG23 THR A 35 20.954 17.432 -2.259 1.00 70.21 H new ATOM 558 N HIS A 36 21.876 18.933 -0.044 1.00 31.03 N ATOM 559 CA HIS A 36 21.484 20.334 -0.151 1.00 32.21 C ATOM 560 C HIS A 36 21.546 20.806 -1.600 1.00 75.15 C ATOM 561 O HIS A 36 22.584 21.249 -2.091 1.00 23.12 O ATOM 562 CB HIS A 36 22.388 21.206 0.721 1.00 54.43 C ATOM 563 CG HIS A 36 22.337 20.855 2.176 1.00 62.33 C ATOM 564 ND1 HIS A 36 21.964 21.751 3.154 1.00 12.52 N ATOM 565 CD2 HIS A 36 22.614 19.695 2.816 1.00 23.12 C ATOM 566 CE1 HIS A 36 22.015 21.159 4.334 1.00 40.21 C ATOM 567 NE2 HIS A 36 22.407 19.910 4.156 1.00 14.35 N ATOM 0 H HIS A 36 22.874 18.763 -0.170 1.00 31.03 H new ATOM 0 HA HIS A 36 20.456 20.426 0.199 1.00 32.21 H new ATOM 0 HB2 HIS A 36 23.416 21.115 0.370 1.00 54.43 H new ATOM 0 HB3 HIS A 36 22.101 22.250 0.597 1.00 54.43 H new ATOM 0 HD2 HIS A 36 22.938 18.772 2.358 1.00 23.12 H new ATOM 0 HE1 HIS A 36 21.777 21.618 5.282 1.00 40.21 H new ATOM 0 HE2 HIS A 36 22.535 19.218 4.894 1.00 14.35 H new ATOM 575 N PRO A 37 20.408 20.709 -2.304 1.00 14.01 N ATOM 576 CA PRO A 37 20.307 21.121 -3.707 1.00 71.11 C ATOM 577 C PRO A 37 20.397 22.634 -3.875 1.00 71.20 C ATOM 578 O PRO A 37 20.476 23.140 -4.995 1.00 2.05 O ATOM 579 CB PRO A 37 18.923 20.618 -4.126 1.00 62.20 C ATOM 580 CG PRO A 37 18.144 20.553 -2.858 1.00 70.50 C ATOM 581 CD PRO A 37 19.131 20.190 -1.783 1.00 44.43 C ATOM 0 HA PRO A 37 21.122 20.719 -4.309 1.00 71.11 H new ATOM 0 HB2 PRO A 37 18.457 21.294 -4.843 1.00 62.20 H new ATOM 0 HB3 PRO A 37 18.985 19.640 -4.603 1.00 62.20 H new ATOM 0 HG2 PRO A 37 17.668 21.510 -2.643 1.00 70.50 H new ATOM 0 HG3 PRO A 37 17.350 19.809 -2.926 1.00 70.50 H new ATOM 0 HD2 PRO A 37 18.871 20.647 -0.828 1.00 44.43 H new ATOM 0 HD3 PRO A 37 19.171 19.113 -1.621 1.00 44.43 H new ATOM 589 N ASP A 38 20.385 23.350 -2.756 1.00 53.25 N ATOM 590 CA ASP A 38 20.467 24.806 -2.780 1.00 14.11 C ATOM 591 C ASP A 38 21.911 25.272 -2.628 1.00 24.51 C ATOM 592 O ASP A 38 22.169 26.412 -2.244 1.00 44.32 O ATOM 593 CB ASP A 38 19.605 25.405 -1.667 1.00 21.30 C ATOM 594 CG ASP A 38 20.321 25.429 -0.331 1.00 13.43 C ATOM 595 OD1 ASP A 38 20.703 24.346 0.158 1.00 65.50 O ATOM 596 OD2 ASP A 38 20.499 26.533 0.226 1.00 31.31 O ATOM 0 H ASP A 38 20.319 22.946 -1.822 1.00 53.25 H new ATOM 0 HA ASP A 38 20.093 25.150 -3.744 1.00 14.11 H new ATOM 0 HB2 ASP A 38 19.318 26.420 -1.940 1.00 21.30 H new ATOM 0 HB3 ASP A 38 18.685 24.828 -1.573 1.00 21.30 H new ATOM 601 N SER A 39 22.850 24.380 -2.930 1.00 51.24 N ATOM 602 CA SER A 39 24.269 24.698 -2.823 1.00 20.13 C ATOM 603 C SER A 39 24.987 24.429 -4.141 1.00 45.35 C ATOM 604 O SER A 39 24.980 23.308 -4.649 1.00 61.33 O ATOM 605 CB SER A 39 24.913 23.879 -1.702 1.00 51.21 C ATOM 606 OG SER A 39 26.327 23.939 -1.775 1.00 31.50 O ATOM 0 H SER A 39 22.653 23.432 -3.251 1.00 51.24 H new ATOM 0 HA SER A 39 24.362 25.758 -2.589 1.00 20.13 H new ATOM 0 HB2 SER A 39 24.579 24.255 -0.735 1.00 51.21 H new ATOM 0 HB3 SER A 39 24.586 22.842 -1.771 1.00 51.21 H new ATOM 0 HG SER A 39 26.708 23.101 -1.439 1.00 31.50 H new ATOM 612 N LYS A 40 25.608 25.467 -4.692 1.00 1.21 N ATOM 613 CA LYS A 40 26.333 25.346 -5.951 1.00 2.10 C ATOM 614 C LYS A 40 27.629 24.565 -5.759 1.00 43.04 C ATOM 615 O LYS A 40 27.886 23.588 -6.463 1.00 41.13 O ATOM 616 CB LYS A 40 26.640 26.732 -6.522 1.00 4.42 C ATOM 617 CG LYS A 40 25.728 27.134 -7.668 1.00 22.00 C ATOM 618 CD LYS A 40 26.151 26.479 -8.973 1.00 13.44 C ATOM 619 CE LYS A 40 25.405 27.070 -10.159 1.00 72.45 C ATOM 620 NZ LYS A 40 26.324 27.767 -11.101 1.00 71.43 N ATOM 0 H LYS A 40 25.623 26.402 -4.285 1.00 1.21 H new ATOM 0 HA LYS A 40 25.702 24.802 -6.654 1.00 2.10 H new ATOM 0 HB2 LYS A 40 26.555 27.471 -5.725 1.00 4.42 H new ATOM 0 HB3 LYS A 40 27.674 26.753 -6.867 1.00 4.42 H new ATOM 0 HG2 LYS A 40 24.702 26.851 -7.434 1.00 22.00 H new ATOM 0 HG3 LYS A 40 25.742 28.218 -7.782 1.00 22.00 H new ATOM 0 HD2 LYS A 40 27.224 26.608 -9.115 1.00 13.44 H new ATOM 0 HD3 LYS A 40 25.963 25.407 -8.921 1.00 13.44 H new ATOM 0 HE2 LYS A 40 24.877 26.277 -10.688 1.00 72.45 H new ATOM 0 HE3 LYS A 40 24.651 27.771 -9.801 1.00 72.45 H new ATOM 0 HZ1 LYS A 40 25.777 28.156 -11.896 1.00 71.43 H new ATOM 0 HZ2 LYS A 40 26.810 28.540 -10.604 1.00 71.43 H new ATOM 0 HZ3 LYS A 40 27.028 27.092 -11.463 1.00 71.43 H new ATOM 634 N ARG A 41 28.442 25.001 -4.802 1.00 73.02 N ATOM 635 CA ARG A 41 29.711 24.342 -4.518 1.00 52.03 C ATOM 636 C ARG A 41 29.514 22.840 -4.332 1.00 10.42 C ATOM 637 O ARG A 41 30.404 22.045 -4.634 1.00 0.45 O ATOM 638 CB ARG A 41 30.353 24.942 -3.266 1.00 52.53 C ATOM 639 CG ARG A 41 31.370 26.032 -3.566 1.00 33.31 C ATOM 640 CD ARG A 41 31.548 26.968 -2.381 1.00 44.11 C ATOM 641 NE ARG A 41 32.385 26.379 -1.339 1.00 34.41 N ATOM 642 CZ ARG A 41 33.709 26.311 -1.410 1.00 63.54 C ATOM 643 NH1 ARG A 41 34.345 26.793 -2.469 1.00 40.12 N ATOM 644 NH2 ARG A 41 34.401 25.759 -0.421 1.00 51.23 N ATOM 0 H ARG A 41 28.244 25.808 -4.210 1.00 73.02 H new ATOM 0 HA ARG A 41 30.373 24.502 -5.369 1.00 52.03 H new ATOM 0 HB2 ARG A 41 29.571 25.353 -2.628 1.00 52.53 H new ATOM 0 HB3 ARG A 41 30.841 24.147 -2.701 1.00 52.53 H new ATOM 0 HG2 ARG A 41 32.328 25.578 -3.820 1.00 33.31 H new ATOM 0 HG3 ARG A 41 31.047 26.603 -4.437 1.00 33.31 H new ATOM 0 HD2 ARG A 41 31.996 27.902 -2.721 1.00 44.11 H new ATOM 0 HD3 ARG A 41 30.572 27.216 -1.965 1.00 44.11 H new ATOM 0 HE ARG A 41 31.927 25.999 -0.511 1.00 34.41 H new ATOM 0 HH11 ARG A 41 33.817 27.217 -3.232 1.00 40.12 H new ATOM 0 HH12 ARG A 41 35.362 26.739 -2.521 1.00 40.12 H new ATOM 0 HH21 ARG A 41 33.916 25.386 0.395 1.00 51.23 H new ATOM 0 HH22 ARG A 41 35.418 25.707 -0.477 1.00 51.23 H new ATOM 658 N SER A 42 28.343 22.460 -3.832 1.00 75.12 N ATOM 659 CA SER A 42 28.030 21.054 -3.601 1.00 43.42 C ATOM 660 C SER A 42 27.044 20.538 -4.644 1.00 52.54 C ATOM 661 O SER A 42 26.749 21.218 -5.627 1.00 51.55 O ATOM 662 CB SER A 42 27.453 20.862 -2.198 1.00 13.44 C ATOM 663 OG SER A 42 28.009 21.793 -1.286 1.00 12.55 O ATOM 0 H SER A 42 27.595 23.106 -3.579 1.00 75.12 H new ATOM 0 HA SER A 42 28.954 20.483 -3.687 1.00 43.42 H new ATOM 0 HB2 SER A 42 26.370 20.980 -2.228 1.00 13.44 H new ATOM 0 HB3 SER A 42 27.654 19.847 -1.854 1.00 13.44 H new ATOM 0 HG SER A 42 27.623 21.651 -0.397 1.00 12.55 H new ATOM 669 N LYS A 43 26.536 19.331 -4.423 1.00 22.30 N ATOM 670 CA LYS A 43 25.582 18.721 -5.341 1.00 54.33 C ATOM 671 C LYS A 43 26.216 18.486 -6.708 1.00 52.04 C ATOM 672 O LYS A 43 25.517 18.267 -7.697 1.00 33.20 O ATOM 673 CB LYS A 43 24.344 19.610 -5.487 1.00 44.14 C ATOM 674 CG LYS A 43 23.034 18.860 -5.323 1.00 12.33 C ATOM 675 CD LYS A 43 22.145 19.016 -6.545 1.00 61.44 C ATOM 676 CE LYS A 43 21.798 20.474 -6.800 1.00 51.44 C ATOM 677 NZ LYS A 43 20.333 20.673 -6.976 1.00 54.22 N ATOM 0 H LYS A 43 26.770 18.755 -3.614 1.00 22.30 H new ATOM 0 HA LYS A 43 25.284 17.757 -4.928 1.00 54.33 H new ATOM 0 HB2 LYS A 43 24.391 20.408 -4.746 1.00 44.14 H new ATOM 0 HB3 LYS A 43 24.361 20.084 -6.468 1.00 44.14 H new ATOM 0 HG2 LYS A 43 23.238 17.803 -5.153 1.00 12.33 H new ATOM 0 HG3 LYS A 43 22.510 19.229 -4.441 1.00 12.33 H new ATOM 0 HD2 LYS A 43 22.650 18.603 -7.418 1.00 61.44 H new ATOM 0 HD3 LYS A 43 21.229 18.442 -6.405 1.00 61.44 H new ATOM 0 HE2 LYS A 43 22.149 21.082 -5.966 1.00 51.44 H new ATOM 0 HE3 LYS A 43 22.321 20.821 -7.691 1.00 51.44 H new ATOM 0 HZ1 LYS A 43 20.039 21.540 -6.483 1.00 54.22 H new ATOM 0 HZ2 LYS A 43 20.114 20.759 -7.989 1.00 54.22 H new ATOM 0 HZ3 LYS A 43 19.822 19.859 -6.579 1.00 54.22 H new ATOM 691 N GLU A 44 27.544 18.532 -6.756 1.00 34.13 N ATOM 692 CA GLU A 44 28.271 18.323 -8.002 1.00 74.13 C ATOM 693 C GLU A 44 28.436 16.834 -8.293 1.00 21.15 C ATOM 694 O GLU A 44 28.323 16.398 -9.439 1.00 5.13 O ATOM 695 CB GLU A 44 29.643 18.997 -7.937 1.00 71.44 C ATOM 696 CG GLU A 44 29.602 20.408 -7.376 1.00 41.14 C ATOM 697 CD GLU A 44 30.375 21.397 -8.228 1.00 30.24 C ATOM 698 OE1 GLU A 44 31.313 22.029 -7.698 1.00 33.05 O ATOM 699 OE2 GLU A 44 30.042 21.539 -9.423 1.00 24.33 O ATOM 0 H GLU A 44 28.138 18.712 -5.946 1.00 34.13 H new ATOM 0 HA GLU A 44 27.692 18.771 -8.810 1.00 74.13 H new ATOM 0 HB2 GLU A 44 30.308 18.390 -7.323 1.00 71.44 H new ATOM 0 HB3 GLU A 44 30.072 19.026 -8.939 1.00 71.44 H new ATOM 0 HG2 GLU A 44 28.565 20.734 -7.298 1.00 41.14 H new ATOM 0 HG3 GLU A 44 30.012 20.406 -6.366 1.00 41.14 H new ATOM 706 N ILE A 45 28.704 16.060 -7.247 1.00 24.44 N ATOM 707 CA ILE A 45 28.885 14.620 -7.389 1.00 11.33 C ATOM 708 C ILE A 45 27.589 13.944 -7.824 1.00 43.13 C ATOM 709 O ILE A 45 27.589 12.784 -8.237 1.00 45.35 O ATOM 710 CB ILE A 45 29.367 13.981 -6.073 1.00 64.23 C ATOM 711 CG1 ILE A 45 28.383 14.284 -4.942 1.00 52.31 C ATOM 712 CG2 ILE A 45 30.760 14.482 -5.720 1.00 15.50 C ATOM 713 CD1 ILE A 45 27.250 13.287 -4.844 1.00 13.15 C ATOM 0 H ILE A 45 28.801 16.405 -6.292 1.00 24.44 H new ATOM 0 HA ILE A 45 29.645 14.471 -8.156 1.00 11.33 H new ATOM 0 HB ILE A 45 29.414 12.900 -6.207 1.00 64.23 H new ATOM 0 HG12 ILE A 45 28.924 14.301 -3.996 1.00 52.31 H new ATOM 0 HG13 ILE A 45 27.967 15.281 -5.090 1.00 52.31 H new ATOM 0 HG21 ILE A 45 31.087 14.022 -4.788 1.00 15.50 H new ATOM 0 HG22 ILE A 45 31.454 14.219 -6.518 1.00 15.50 H new ATOM 0 HG23 ILE A 45 30.738 15.565 -5.601 1.00 15.50 H new ATOM 0 HD11 ILE A 45 26.592 13.564 -4.021 1.00 13.15 H new ATOM 0 HD12 ILE A 45 26.685 13.286 -5.776 1.00 13.15 H new ATOM 0 HD13 ILE A 45 27.656 12.291 -4.665 1.00 13.15 H new ATOM 725 N LYS A 46 26.485 14.677 -7.731 1.00 3.42 N ATOM 726 CA LYS A 46 25.182 14.151 -8.118 1.00 13.32 C ATOM 727 C LYS A 46 25.242 13.511 -9.501 1.00 22.11 C ATOM 728 O LYS A 46 24.725 12.414 -9.710 1.00 14.34 O ATOM 729 CB LYS A 46 24.135 15.267 -8.106 1.00 55.32 C ATOM 730 CG LYS A 46 23.799 15.772 -6.714 1.00 32.25 C ATOM 731 CD LYS A 46 23.062 14.720 -5.902 1.00 31.32 C ATOM 732 CE LYS A 46 23.502 14.730 -4.446 1.00 22.50 C ATOM 733 NZ LYS A 46 24.261 13.500 -4.088 1.00 25.42 N ATOM 0 H LYS A 46 26.467 15.638 -7.390 1.00 3.42 H new ATOM 0 HA LYS A 46 24.898 13.386 -7.395 1.00 13.32 H new ATOM 0 HB2 LYS A 46 24.498 16.100 -8.708 1.00 55.32 H new ATOM 0 HB3 LYS A 46 23.224 14.904 -8.581 1.00 55.32 H new ATOM 0 HG2 LYS A 46 24.716 16.055 -6.197 1.00 32.25 H new ATOM 0 HG3 LYS A 46 23.186 16.670 -6.790 1.00 32.25 H new ATOM 0 HD2 LYS A 46 21.989 14.900 -5.960 1.00 31.32 H new ATOM 0 HD3 LYS A 46 23.243 13.735 -6.331 1.00 31.32 H new ATOM 0 HE2 LYS A 46 24.122 15.607 -4.260 1.00 22.50 H new ATOM 0 HE3 LYS A 46 22.626 14.817 -3.803 1.00 22.50 H new ATOM 0 HZ1 LYS A 46 24.959 13.725 -3.351 1.00 25.42 H new ATOM 0 HZ2 LYS A 46 23.603 12.777 -3.733 1.00 25.42 H new ATOM 0 HZ3 LYS A 46 24.752 13.137 -4.930 1.00 25.42 H new ATOM 747 N GLU A 47 25.879 14.203 -10.441 1.00 74.51 N ATOM 748 CA GLU A 47 26.007 13.699 -11.804 1.00 15.42 C ATOM 749 C GLU A 47 26.531 12.266 -11.808 1.00 11.34 C ATOM 750 O GLU A 47 26.152 11.456 -12.654 1.00 11.32 O ATOM 751 CB GLU A 47 26.940 14.598 -12.617 1.00 63.03 C ATOM 752 CG GLU A 47 27.021 14.220 -14.087 1.00 14.41 C ATOM 753 CD GLU A 47 27.654 15.306 -14.934 1.00 44.45 C ATOM 754 OE1 GLU A 47 27.764 16.451 -14.446 1.00 61.23 O ATOM 755 OE2 GLU A 47 28.040 15.013 -16.085 1.00 62.50 O ATOM 0 H GLU A 47 26.314 15.112 -10.284 1.00 74.51 H new ATOM 0 HA GLU A 47 25.018 13.706 -12.261 1.00 15.42 H new ATOM 0 HB2 GLU A 47 26.600 15.630 -12.534 1.00 63.03 H new ATOM 0 HB3 GLU A 47 27.939 14.556 -12.184 1.00 63.03 H new ATOM 0 HG2 GLU A 47 27.598 13.301 -14.191 1.00 14.41 H new ATOM 0 HG3 GLU A 47 26.018 14.011 -14.460 1.00 14.41 H new ATOM 762 N LYS A 48 27.406 11.960 -10.856 1.00 0.32 N ATOM 763 CA LYS A 48 27.983 10.626 -10.747 1.00 25.10 C ATOM 764 C LYS A 48 26.893 9.575 -10.564 1.00 65.31 C ATOM 765 O LYS A 48 26.984 8.472 -11.105 1.00 34.41 O ATOM 766 CB LYS A 48 28.966 10.567 -9.575 1.00 35.22 C ATOM 767 CG LYS A 48 30.038 11.642 -9.625 1.00 33.53 C ATOM 768 CD LYS A 48 31.190 11.324 -8.687 1.00 21.41 C ATOM 769 CE LYS A 48 32.297 12.362 -8.792 1.00 32.32 C ATOM 770 NZ LYS A 48 33.628 11.790 -8.447 1.00 10.21 N ATOM 0 H LYS A 48 27.731 12.619 -10.148 1.00 0.32 H new ATOM 0 HA LYS A 48 28.518 10.412 -11.672 1.00 25.10 H new ATOM 0 HB2 LYS A 48 28.411 10.662 -8.641 1.00 35.22 H new ATOM 0 HB3 LYS A 48 29.445 9.588 -9.563 1.00 35.22 H new ATOM 0 HG2 LYS A 48 30.413 11.736 -10.644 1.00 33.53 H new ATOM 0 HG3 LYS A 48 29.603 12.604 -9.355 1.00 33.53 H new ATOM 0 HD2 LYS A 48 30.824 11.283 -7.661 1.00 21.41 H new ATOM 0 HD3 LYS A 48 31.591 10.338 -8.922 1.00 21.41 H new ATOM 0 HE2 LYS A 48 32.325 12.762 -9.806 1.00 32.32 H new ATOM 0 HE3 LYS A 48 32.077 13.197 -8.126 1.00 32.32 H new ATOM 0 HZ1 LYS A 48 34.355 12.529 -8.531 1.00 10.21 H new ATOM 0 HZ2 LYS A 48 33.609 11.431 -7.471 1.00 10.21 H new ATOM 0 HZ3 LYS A 48 33.850 11.010 -9.098 1.00 10.21 H new ATOM 784 N LEU A 49 25.864 9.923 -9.801 1.00 11.34 N ATOM 785 CA LEU A 49 24.755 9.010 -9.548 1.00 32.11 C ATOM 786 C LEU A 49 23.797 8.975 -10.734 1.00 54.51 C ATOM 787 O LEU A 49 23.168 7.953 -11.009 1.00 15.42 O ATOM 788 CB LEU A 49 24.003 9.427 -8.282 1.00 62.24 C ATOM 789 CG LEU A 49 22.981 8.423 -7.748 1.00 15.50 C ATOM 790 CD1 LEU A 49 23.679 7.186 -7.207 1.00 63.45 C ATOM 791 CD2 LEU A 49 22.118 9.064 -6.671 1.00 15.22 C ATOM 0 H LEU A 49 25.774 10.832 -9.346 1.00 11.34 H new ATOM 0 HA LEU A 49 25.165 8.010 -9.406 1.00 32.11 H new ATOM 0 HB2 LEU A 49 24.734 9.624 -7.497 1.00 62.24 H new ATOM 0 HB3 LEU A 49 23.489 10.367 -8.482 1.00 62.24 H new ATOM 0 HG LEU A 49 22.335 8.119 -8.571 1.00 15.50 H new ATOM 0 HD11 LEU A 49 22.935 6.483 -6.832 1.00 63.45 H new ATOM 0 HD12 LEU A 49 24.254 6.715 -8.004 1.00 63.45 H new ATOM 0 HD13 LEU A 49 24.350 7.472 -6.397 1.00 63.45 H new ATOM 0 HD21 LEU A 49 21.396 8.336 -6.302 1.00 15.22 H new ATOM 0 HD22 LEU A 49 22.751 9.397 -5.848 1.00 15.22 H new ATOM 0 HD23 LEU A 49 21.588 9.919 -7.090 1.00 15.22 H new ATOM 803 N LYS A 50 23.692 10.099 -11.436 1.00 34.20 N ATOM 804 CA LYS A 50 22.813 10.198 -12.596 1.00 22.34 C ATOM 805 C LYS A 50 23.280 9.269 -13.712 1.00 51.54 C ATOM 806 O LYS A 50 22.476 8.568 -14.327 1.00 43.14 O ATOM 807 CB LYS A 50 22.766 11.641 -13.104 1.00 32.54 C ATOM 808 CG LYS A 50 21.378 12.256 -13.059 1.00 31.14 C ATOM 809 CD LYS A 50 21.402 13.640 -12.432 1.00 34.10 C ATOM 810 CE LYS A 50 20.017 14.270 -12.419 1.00 21.42 C ATOM 811 NZ LYS A 50 19.654 14.783 -11.069 1.00 30.22 N ATOM 0 H LYS A 50 24.205 10.954 -11.222 1.00 34.20 H new ATOM 0 HA LYS A 50 21.812 9.895 -12.290 1.00 22.34 H new ATOM 0 HB2 LYS A 50 23.444 12.250 -12.506 1.00 32.54 H new ATOM 0 HB3 LYS A 50 23.134 11.668 -14.130 1.00 32.54 H new ATOM 0 HG2 LYS A 50 20.974 12.320 -14.070 1.00 31.14 H new ATOM 0 HG3 LYS A 50 20.711 11.609 -12.490 1.00 31.14 H new ATOM 0 HD2 LYS A 50 21.782 13.572 -11.413 1.00 34.10 H new ATOM 0 HD3 LYS A 50 22.089 14.280 -12.986 1.00 34.10 H new ATOM 0 HE2 LYS A 50 19.983 15.087 -13.139 1.00 21.42 H new ATOM 0 HE3 LYS A 50 19.280 13.533 -12.738 1.00 21.42 H new ATOM 0 HZ1 LYS A 50 18.704 15.204 -11.102 1.00 30.22 H new ATOM 0 HZ2 LYS A 50 19.662 13.999 -10.386 1.00 30.22 H new ATOM 0 HZ3 LYS A 50 20.343 15.505 -10.775 1.00 30.22 H new ATOM 825 N LYS A 51 24.584 9.269 -13.969 1.00 34.21 N ATOM 826 CA LYS A 51 25.159 8.425 -15.010 1.00 34.14 C ATOM 827 C LYS A 51 24.998 6.948 -14.663 1.00 5.12 C ATOM 828 O LYS A 51 24.877 6.101 -15.549 1.00 50.42 O ATOM 829 CB LYS A 51 26.640 8.756 -15.203 1.00 41.42 C ATOM 830 CG LYS A 51 26.960 9.334 -16.571 1.00 65.20 C ATOM 831 CD LYS A 51 28.451 9.287 -16.861 1.00 23.31 C ATOM 832 CE LYS A 51 29.208 10.334 -16.059 1.00 24.02 C ATOM 833 NZ LYS A 51 30.051 11.198 -16.931 1.00 11.30 N ATOM 0 H LYS A 51 25.263 9.844 -13.470 1.00 34.21 H new ATOM 0 HA LYS A 51 24.625 8.622 -15.940 1.00 34.14 H new ATOM 0 HB2 LYS A 51 26.948 9.467 -14.436 1.00 41.42 H new ATOM 0 HB3 LYS A 51 27.229 7.851 -15.053 1.00 41.42 H new ATOM 0 HG2 LYS A 51 26.422 8.777 -17.338 1.00 65.20 H new ATOM 0 HG3 LYS A 51 26.611 10.365 -16.622 1.00 65.20 H new ATOM 0 HD2 LYS A 51 28.838 8.296 -16.624 1.00 23.31 H new ATOM 0 HD3 LYS A 51 28.621 9.449 -17.925 1.00 23.31 H new ATOM 0 HE2 LYS A 51 28.499 10.954 -15.510 1.00 24.02 H new ATOM 0 HE3 LYS A 51 29.838 9.840 -15.320 1.00 24.02 H new ATOM 0 HZ1 LYS A 51 30.551 11.898 -16.347 1.00 11.30 H new ATOM 0 HZ2 LYS A 51 30.745 10.610 -17.436 1.00 11.30 H new ATOM 0 HZ3 LYS A 51 29.447 11.690 -17.620 1.00 11.30 H new ATOM 847 N LEU A 52 24.998 6.646 -13.369 1.00 74.33 N ATOM 848 CA LEU A 52 24.850 5.271 -12.905 1.00 64.52 C ATOM 849 C LEU A 52 23.540 4.666 -13.400 1.00 1.24 C ATOM 850 O LEU A 52 23.384 3.446 -13.441 1.00 45.23 O ATOM 851 CB LEU A 52 24.905 5.218 -11.377 1.00 51.54 C ATOM 852 CG LEU A 52 24.700 3.841 -10.745 1.00 2.40 C ATOM 853 CD1 LEU A 52 25.586 3.680 -9.519 1.00 61.25 C ATOM 854 CD2 LEU A 52 23.238 3.635 -10.379 1.00 74.31 C ATOM 0 H LEU A 52 25.099 7.334 -12.623 1.00 74.33 H new ATOM 0 HA LEU A 52 25.675 4.686 -13.312 1.00 64.52 H new ATOM 0 HB2 LEU A 52 25.872 5.603 -11.055 1.00 51.54 H new ATOM 0 HB3 LEU A 52 24.146 5.893 -10.983 1.00 51.54 H new ATOM 0 HG LEU A 52 24.982 3.082 -11.474 1.00 2.40 H new ATOM 0 HD11 LEU A 52 25.427 2.694 -9.082 1.00 61.25 H new ATOM 0 HD12 LEU A 52 26.631 3.784 -9.809 1.00 61.25 H new ATOM 0 HD13 LEU A 52 25.335 4.447 -8.786 1.00 61.25 H new ATOM 0 HD21 LEU A 52 23.111 2.650 -9.930 1.00 74.31 H new ATOM 0 HD22 LEU A 52 22.930 4.401 -9.667 1.00 74.31 H new ATOM 0 HD23 LEU A 52 22.624 3.707 -11.277 1.00 74.31 H new ATOM 866 N ALA A 53 22.601 5.529 -13.775 1.00 62.31 N ATOM 867 CA ALA A 53 21.306 5.080 -14.271 1.00 0.02 C ATOM 868 C ALA A 53 21.470 4.108 -15.434 1.00 62.21 C ATOM 869 O ALA A 53 20.592 3.287 -15.697 1.00 22.23 O ATOM 870 CB ALA A 53 20.460 6.273 -14.692 1.00 63.54 C ATOM 0 H ALA A 53 22.713 6.542 -13.745 1.00 62.31 H new ATOM 0 HA ALA A 53 20.797 4.555 -13.463 1.00 0.02 H new ATOM 0 HB1 ALA A 53 19.496 5.923 -15.060 1.00 63.54 H new ATOM 0 HB2 ALA A 53 20.305 6.929 -13.836 1.00 63.54 H new ATOM 0 HB3 ALA A 53 20.973 6.822 -15.482 1.00 63.54 H new ATOM 876 N GLU A 54 22.600 4.208 -16.128 1.00 31.42 N ATOM 877 CA GLU A 54 22.877 3.337 -17.264 1.00 51.04 C ATOM 878 C GLU A 54 23.285 1.943 -16.795 1.00 40.45 C ATOM 879 O GLU A 54 22.781 0.938 -17.294 1.00 34.22 O ATOM 880 CB GLU A 54 23.981 3.937 -18.138 1.00 30.05 C ATOM 881 CG GLU A 54 24.403 3.038 -19.288 1.00 1.42 C ATOM 882 CD GLU A 54 25.504 2.071 -18.899 1.00 30.03 C ATOM 883 OE1 GLU A 54 26.508 2.522 -18.309 1.00 44.22 O ATOM 884 OE2 GLU A 54 25.362 0.864 -19.184 1.00 33.45 O ATOM 0 H GLU A 54 23.337 4.883 -15.923 1.00 31.42 H new ATOM 0 HA GLU A 54 21.964 3.250 -17.853 1.00 51.04 H new ATOM 0 HB2 GLU A 54 23.637 4.890 -18.540 1.00 30.05 H new ATOM 0 HB3 GLU A 54 24.850 4.149 -17.516 1.00 30.05 H new ATOM 0 HG2 GLU A 54 23.538 2.476 -19.641 1.00 1.42 H new ATOM 0 HG3 GLU A 54 24.743 3.654 -20.120 1.00 1.42 H new ATOM 891 N GLU A 55 24.202 1.894 -15.834 1.00 62.34 N ATOM 892 CA GLU A 55 24.679 0.624 -15.299 1.00 60.24 C ATOM 893 C GLU A 55 23.536 -0.162 -14.663 1.00 2.13 C ATOM 894 O GLU A 55 23.600 -1.386 -14.544 1.00 1.44 O ATOM 895 CB GLU A 55 25.785 0.862 -14.269 1.00 51.10 C ATOM 896 CG GLU A 55 25.281 0.913 -12.836 1.00 42.44 C ATOM 897 CD GLU A 55 25.209 -0.458 -12.194 1.00 23.21 C ATOM 898 OE1 GLU A 55 25.584 -1.445 -12.861 1.00 23.43 O ATOM 899 OE2 GLU A 55 24.778 -0.545 -11.025 1.00 42.32 O ATOM 0 H GLU A 55 24.629 2.718 -15.410 1.00 62.34 H new ATOM 0 HA GLU A 55 25.083 0.039 -16.126 1.00 60.24 H new ATOM 0 HB2 GLU A 55 26.528 0.069 -14.356 1.00 51.10 H new ATOM 0 HB3 GLU A 55 26.291 1.799 -14.501 1.00 51.10 H new ATOM 0 HG2 GLU A 55 25.938 1.552 -12.246 1.00 42.44 H new ATOM 0 HG3 GLU A 55 24.292 1.371 -12.819 1.00 42.44 H new ATOM 906 N PHE A 56 22.491 0.551 -14.255 1.00 25.24 N ATOM 907 CA PHE A 56 21.335 -0.078 -13.628 1.00 75.34 C ATOM 908 C PHE A 56 20.127 0.854 -13.657 1.00 32.22 C ATOM 909 O PHE A 56 19.796 1.513 -12.671 1.00 2.10 O ATOM 910 CB PHE A 56 21.658 -0.468 -12.185 1.00 4.14 C ATOM 911 CG PHE A 56 21.029 -1.763 -11.758 1.00 21.23 C ATOM 912 CD1 PHE A 56 19.742 -2.088 -12.155 1.00 41.42 C ATOM 913 CD2 PHE A 56 21.725 -2.656 -10.958 1.00 75.24 C ATOM 914 CE1 PHE A 56 19.160 -3.279 -11.765 1.00 2.05 C ATOM 915 CE2 PHE A 56 21.148 -3.849 -10.565 1.00 30.01 C ATOM 916 CZ PHE A 56 19.864 -4.160 -10.967 1.00 71.34 C ATOM 0 H PHE A 56 22.421 1.564 -14.348 1.00 25.24 H new ATOM 0 HA PHE A 56 21.092 -0.978 -14.193 1.00 75.34 H new ATOM 0 HB2 PHE A 56 22.739 -0.544 -12.071 1.00 4.14 H new ATOM 0 HB3 PHE A 56 21.322 0.327 -11.519 1.00 4.14 H new ATOM 0 HD1 PHE A 56 19.187 -1.402 -12.777 1.00 41.42 H new ATOM 0 HD2 PHE A 56 22.729 -2.417 -10.638 1.00 75.24 H new ATOM 0 HE1 PHE A 56 18.157 -3.521 -12.083 1.00 2.05 H new ATOM 0 HE2 PHE A 56 21.701 -4.538 -9.944 1.00 30.01 H new ATOM 0 HZ PHE A 56 19.411 -5.090 -10.658 1.00 71.34 H new ATOM 926 N PRO A 57 19.452 0.911 -14.814 1.00 54.44 N ATOM 927 CA PRO A 57 18.270 1.759 -15.000 1.00 42.14 C ATOM 928 C PRO A 57 17.066 1.257 -14.210 1.00 45.32 C ATOM 929 O PRO A 57 16.215 2.042 -13.793 1.00 0.44 O ATOM 930 CB PRO A 57 18.000 1.665 -16.504 1.00 54.31 C ATOM 931 CG PRO A 57 18.591 0.361 -16.915 1.00 10.12 C ATOM 932 CD PRO A 57 19.789 0.153 -16.031 1.00 23.04 C ATOM 0 HA PRO A 57 18.438 2.776 -14.646 1.00 42.14 H new ATOM 0 HB2 PRO A 57 16.932 1.700 -16.717 1.00 54.31 H new ATOM 0 HB3 PRO A 57 18.460 2.495 -17.041 1.00 54.31 H new ATOM 0 HG2 PRO A 57 17.872 -0.449 -16.794 1.00 10.12 H new ATOM 0 HG3 PRO A 57 18.880 0.377 -17.966 1.00 10.12 H new ATOM 0 HD2 PRO A 57 19.950 -0.903 -15.815 1.00 23.04 H new ATOM 0 HD3 PRO A 57 20.701 0.526 -16.497 1.00 23.04 H new ATOM 940 N ASP A 58 17.002 -0.054 -14.008 1.00 62.13 N ATOM 941 CA ASP A 58 15.903 -0.661 -13.266 1.00 50.44 C ATOM 942 C ASP A 58 15.820 -0.089 -11.854 1.00 71.23 C ATOM 943 O ASP A 58 14.757 -0.094 -11.233 1.00 2.11 O ATOM 944 CB ASP A 58 16.077 -2.179 -13.206 1.00 55.01 C ATOM 945 CG ASP A 58 15.633 -2.760 -11.878 1.00 24.12 C ATOM 946 OD1 ASP A 58 14.522 -3.328 -11.819 1.00 45.02 O ATOM 947 OD2 ASP A 58 16.398 -2.648 -10.897 1.00 51.30 O ATOM 0 H ASP A 58 17.698 -0.717 -14.348 1.00 62.13 H new ATOM 0 HA ASP A 58 14.974 -0.431 -13.787 1.00 50.44 H new ATOM 0 HB2 ASP A 58 15.504 -2.640 -14.011 1.00 55.01 H new ATOM 0 HB3 ASP A 58 17.124 -2.429 -13.377 1.00 55.01 H new ATOM 952 N VAL A 59 16.949 0.402 -11.353 1.00 32.34 N ATOM 953 CA VAL A 59 17.004 0.977 -10.014 1.00 30.31 C ATOM 954 C VAL A 59 16.285 2.320 -9.963 1.00 11.13 C ATOM 955 O VAL A 59 16.336 3.100 -10.914 1.00 71.22 O ATOM 956 CB VAL A 59 18.459 1.167 -9.545 1.00 15.25 C ATOM 957 CG1 VAL A 59 18.496 1.832 -8.177 1.00 33.12 C ATOM 958 CG2 VAL A 59 19.188 -0.167 -9.518 1.00 24.21 C ATOM 0 H VAL A 59 17.838 0.413 -11.854 1.00 32.34 H new ATOM 0 HA VAL A 59 16.504 0.275 -9.347 1.00 30.31 H new ATOM 0 HB VAL A 59 18.969 1.819 -10.254 1.00 15.25 H new ATOM 0 HG11 VAL A 59 19.532 1.958 -7.862 1.00 33.12 H new ATOM 0 HG12 VAL A 59 18.012 2.807 -8.233 1.00 33.12 H new ATOM 0 HG13 VAL A 59 17.970 1.208 -7.455 1.00 33.12 H new ATOM 0 HG21 VAL A 59 20.214 -0.014 -9.184 1.00 24.21 H new ATOM 0 HG22 VAL A 59 18.681 -0.845 -8.832 1.00 24.21 H new ATOM 0 HG23 VAL A 59 19.192 -0.600 -10.518 1.00 24.21 H new ATOM 968 N ASP A 60 15.616 2.584 -8.846 1.00 52.30 N ATOM 969 CA ASP A 60 14.887 3.835 -8.669 1.00 72.12 C ATOM 970 C ASP A 60 15.686 4.814 -7.815 1.00 22.21 C ATOM 971 O ASP A 60 16.342 4.419 -6.850 1.00 70.34 O ATOM 972 CB ASP A 60 13.526 3.570 -8.024 1.00 75.33 C ATOM 973 CG ASP A 60 12.911 4.823 -7.432 1.00 44.02 C ATOM 974 OD1 ASP A 60 13.307 5.205 -6.311 1.00 33.04 O ATOM 975 OD2 ASP A 60 12.036 5.422 -8.091 1.00 2.43 O ATOM 0 H ASP A 60 15.563 1.949 -8.050 1.00 52.30 H new ATOM 0 HA ASP A 60 14.734 4.280 -9.652 1.00 72.12 H new ATOM 0 HB2 ASP A 60 12.849 3.154 -8.770 1.00 75.33 H new ATOM 0 HB3 ASP A 60 13.638 2.819 -7.242 1.00 75.33 H new ATOM 980 N ILE A 61 15.628 6.091 -8.176 1.00 53.13 N ATOM 981 CA ILE A 61 16.346 7.126 -7.443 1.00 21.31 C ATOM 982 C ILE A 61 15.385 8.008 -6.654 1.00 51.51 C ATOM 983 O ILE A 61 14.290 8.324 -7.121 1.00 62.00 O ATOM 984 CB ILE A 61 17.179 8.011 -8.389 1.00 25.44 C ATOM 985 CG1 ILE A 61 18.201 7.162 -9.148 1.00 5.01 C ATOM 986 CG2 ILE A 61 17.876 9.113 -7.606 1.00 11.55 C ATOM 987 CD1 ILE A 61 18.258 7.466 -10.629 1.00 22.13 C ATOM 0 H ILE A 61 15.091 6.434 -8.972 1.00 53.13 H new ATOM 0 HA ILE A 61 17.017 6.615 -6.752 1.00 21.31 H new ATOM 0 HB ILE A 61 16.509 8.474 -9.113 1.00 25.44 H new ATOM 0 HG12 ILE A 61 19.188 7.322 -8.714 1.00 5.01 H new ATOM 0 HG13 ILE A 61 17.959 6.108 -9.011 1.00 5.01 H new ATOM 0 HG21 ILE A 61 18.461 9.730 -8.288 1.00 11.55 H new ATOM 0 HG22 ILE A 61 17.131 9.731 -7.106 1.00 11.55 H new ATOM 0 HG23 ILE A 61 18.537 8.668 -6.862 1.00 11.55 H new ATOM 0 HD11 ILE A 61 19.003 6.827 -11.103 1.00 22.13 H new ATOM 0 HD12 ILE A 61 17.282 7.279 -11.077 1.00 22.13 H new ATOM 0 HD13 ILE A 61 18.530 8.511 -10.776 1.00 22.13 H new ATOM 999 N TYR A 62 15.802 8.405 -5.457 1.00 42.42 N ATOM 1000 CA TYR A 62 14.978 9.252 -4.603 1.00 2.05 C ATOM 1001 C TYR A 62 15.795 10.405 -4.027 1.00 63.30 C ATOM 1002 O TYR A 62 16.741 10.192 -3.267 1.00 43.42 O ATOM 1003 CB TYR A 62 14.369 8.427 -3.467 1.00 51.44 C ATOM 1004 CG TYR A 62 13.344 9.184 -2.652 1.00 64.41 C ATOM 1005 CD1 TYR A 62 12.209 9.718 -3.250 1.00 23.34 C ATOM 1006 CD2 TYR A 62 13.512 9.365 -1.285 1.00 33.22 C ATOM 1007 CE1 TYR A 62 11.271 10.410 -2.509 1.00 33.10 C ATOM 1008 CE2 TYR A 62 12.578 10.054 -0.536 1.00 53.21 C ATOM 1009 CZ TYR A 62 11.459 10.575 -1.153 1.00 2.14 C ATOM 1010 OH TYR A 62 10.527 11.264 -0.411 1.00 22.25 O ATOM 0 H TYR A 62 16.706 8.154 -5.056 1.00 42.42 H new ATOM 0 HA TYR A 62 14.176 9.668 -5.213 1.00 2.05 H new ATOM 0 HB2 TYR A 62 13.902 7.536 -3.886 1.00 51.44 H new ATOM 0 HB3 TYR A 62 15.167 8.088 -2.807 1.00 51.44 H new ATOM 0 HD1 TYR A 62 12.058 9.590 -4.312 1.00 23.34 H new ATOM 0 HD2 TYR A 62 14.388 8.960 -0.800 1.00 33.22 H new ATOM 0 HE1 TYR A 62 10.395 10.820 -2.989 1.00 33.10 H new ATOM 0 HE2 TYR A 62 12.723 10.184 0.526 1.00 53.21 H new ATOM 0 HH TYR A 62 9.645 10.852 -0.529 1.00 22.25 H new ATOM 1020 N LEU A 63 15.423 11.626 -4.394 1.00 61.11 N ATOM 1021 CA LEU A 63 16.120 12.815 -3.915 1.00 32.43 C ATOM 1022 C LEU A 63 15.400 13.420 -2.714 1.00 2.41 C ATOM 1023 O LEU A 63 14.171 13.427 -2.652 1.00 33.52 O ATOM 1024 CB LEU A 63 16.230 13.851 -5.034 1.00 0.40 C ATOM 1025 CG LEU A 63 17.292 13.578 -6.100 1.00 13.11 C ATOM 1026 CD1 LEU A 63 16.638 13.216 -7.424 1.00 73.41 C ATOM 1027 CD2 LEU A 63 18.204 14.785 -6.266 1.00 73.10 C ATOM 0 H LEU A 63 14.643 11.819 -5.022 1.00 61.11 H new ATOM 0 HA LEU A 63 17.122 12.519 -3.604 1.00 32.43 H new ATOM 0 HB2 LEU A 63 15.261 13.928 -5.527 1.00 0.40 H new ATOM 0 HB3 LEU A 63 16.437 14.822 -4.584 1.00 0.40 H new ATOM 0 HG LEU A 63 17.898 12.732 -5.774 1.00 13.11 H new ATOM 0 HD11 LEU A 63 17.409 13.025 -8.170 1.00 73.41 H new ATOM 0 HD12 LEU A 63 16.028 12.322 -7.296 1.00 73.41 H new ATOM 0 HD13 LEU A 63 16.008 14.041 -7.756 1.00 73.41 H new ATOM 0 HD21 LEU A 63 18.953 14.573 -7.028 1.00 73.10 H new ATOM 0 HD22 LEU A 63 17.613 15.649 -6.569 1.00 73.10 H new ATOM 0 HD23 LEU A 63 18.700 14.999 -5.319 1.00 73.10 H new ATOM 1039 N VAL A 64 16.175 13.931 -1.762 1.00 51.32 N ATOM 1040 CA VAL A 64 15.612 14.543 -0.564 1.00 72.14 C ATOM 1041 C VAL A 64 16.456 15.725 -0.102 1.00 43.01 C ATOM 1042 O VAL A 64 17.685 15.685 -0.163 1.00 23.31 O ATOM 1043 CB VAL A 64 15.500 13.525 0.586 1.00 30.01 C ATOM 1044 CG1 VAL A 64 14.702 14.110 1.742 1.00 45.35 C ATOM 1045 CG2 VAL A 64 14.869 12.232 0.093 1.00 71.40 C ATOM 0 H VAL A 64 17.194 13.933 -1.797 1.00 51.32 H new ATOM 0 HA VAL A 64 14.614 14.894 -0.827 1.00 72.14 H new ATOM 0 HB VAL A 64 16.504 13.299 0.946 1.00 30.01 H new ATOM 0 HG11 VAL A 64 14.634 13.376 2.545 1.00 45.35 H new ATOM 0 HG12 VAL A 64 15.200 15.006 2.111 1.00 45.35 H new ATOM 0 HG13 VAL A 64 13.700 14.367 1.399 1.00 45.35 H new ATOM 0 HG21 VAL A 64 14.798 11.524 0.919 1.00 71.40 H new ATOM 0 HG22 VAL A 64 13.872 12.439 -0.295 1.00 71.40 H new ATOM 0 HG23 VAL A 64 15.485 11.805 -0.699 1.00 71.40 H new ATOM 1055 N ASP A 65 15.789 16.777 0.360 1.00 20.53 N ATOM 1056 CA ASP A 65 16.478 17.971 0.835 1.00 20.11 C ATOM 1057 C ASP A 65 16.260 18.165 2.332 1.00 15.23 C ATOM 1058 O ASP A 65 15.174 17.903 2.852 1.00 23.11 O ATOM 1059 CB ASP A 65 15.991 19.204 0.072 1.00 64.32 C ATOM 1060 CG ASP A 65 14.562 19.059 -0.411 1.00 35.14 C ATOM 1061 OD1 ASP A 65 14.338 18.317 -1.391 1.00 12.35 O ATOM 1062 OD2 ASP A 65 13.666 19.686 0.192 1.00 0.31 O ATOM 0 H ASP A 65 14.772 16.827 0.416 1.00 20.53 H new ATOM 0 HA ASP A 65 17.545 17.840 0.656 1.00 20.11 H new ATOM 0 HB2 ASP A 65 16.066 20.080 0.717 1.00 64.32 H new ATOM 0 HB3 ASP A 65 16.644 19.380 -0.783 1.00 64.32 H new ATOM 1067 N THR A 66 17.298 18.626 3.022 1.00 5.01 N ATOM 1068 CA THR A 66 17.221 18.853 4.460 1.00 43.34 C ATOM 1069 C THR A 66 16.216 19.950 4.790 1.00 54.34 C ATOM 1070 O THR A 66 15.587 19.932 5.848 1.00 25.21 O ATOM 1071 CB THR A 66 18.594 19.239 5.042 1.00 42.32 C ATOM 1072 OG1 THR A 66 19.452 19.717 3.999 1.00 14.54 O ATOM 1073 CG2 THR A 66 19.243 18.049 5.733 1.00 52.31 C ATOM 0 H THR A 66 18.203 18.850 2.608 1.00 5.01 H new ATOM 0 HA THR A 66 16.894 17.916 4.911 1.00 43.34 H new ATOM 0 HB THR A 66 18.443 20.029 5.778 1.00 42.32 H new ATOM 0 HG1 THR A 66 20.343 19.321 4.101 1.00 14.54 H new ATOM 0 HG21 THR A 66 20.211 18.346 6.136 1.00 52.31 H new ATOM 0 HG22 THR A 66 18.602 17.706 6.545 1.00 52.31 H new ATOM 0 HG23 THR A 66 19.381 17.242 5.014 1.00 52.31 H new ATOM 1081 N SER A 67 16.067 20.905 3.877 1.00 61.24 N ATOM 1082 CA SER A 67 15.139 22.012 4.073 1.00 50.35 C ATOM 1083 C SER A 67 13.730 21.498 4.353 1.00 64.42 C ATOM 1084 O SER A 67 12.984 22.089 5.133 1.00 33.14 O ATOM 1085 CB SER A 67 15.127 22.919 2.841 1.00 40.44 C ATOM 1086 OG SER A 67 15.274 24.280 3.208 1.00 51.21 O ATOM 0 H SER A 67 16.577 20.934 2.994 1.00 61.24 H new ATOM 0 HA SER A 67 15.475 22.587 4.936 1.00 50.35 H new ATOM 0 HB2 SER A 67 15.934 22.632 2.166 1.00 40.44 H new ATOM 0 HB3 SER A 67 14.193 22.785 2.296 1.00 40.44 H new ATOM 0 HG SER A 67 15.265 24.839 2.403 1.00 51.21 H new ATOM 1092 N THR A 68 13.373 20.390 3.710 1.00 53.34 N ATOM 1093 CA THR A 68 12.054 19.795 3.887 1.00 3.23 C ATOM 1094 C THR A 68 12.034 18.852 5.085 1.00 53.22 C ATOM 1095 O THR A 68 10.998 18.666 5.722 1.00 21.11 O ATOM 1096 CB THR A 68 11.613 19.021 2.631 1.00 65.11 C ATOM 1097 OG1 THR A 68 12.705 18.242 2.127 1.00 15.04 O ATOM 1098 CG2 THR A 68 11.124 19.975 1.551 1.00 30.55 C ATOM 0 H THR A 68 13.979 19.887 3.062 1.00 53.34 H new ATOM 0 HA THR A 68 11.358 20.615 4.061 1.00 3.23 H new ATOM 0 HB THR A 68 10.792 18.360 2.908 1.00 65.11 H new ATOM 0 HG1 THR A 68 12.927 17.536 2.769 1.00 15.04 H new ATOM 0 HG21 THR A 68 10.818 19.405 0.674 1.00 30.55 H new ATOM 0 HG22 THR A 68 10.275 20.546 1.927 1.00 30.55 H new ATOM 0 HG23 THR A 68 11.928 20.658 1.278 1.00 30.55 H new ATOM 1106 N ASN A 69 13.185 18.260 5.386 1.00 72.13 N ATOM 1107 CA ASN A 69 13.298 17.335 6.508 1.00 4.50 C ATOM 1108 C ASN A 69 14.467 17.717 7.411 1.00 0.53 C ATOM 1109 O ASN A 69 15.456 16.993 7.529 1.00 54.10 O ATOM 1110 CB ASN A 69 13.479 15.904 6.000 1.00 33.40 C ATOM 1111 CG ASN A 69 14.201 15.849 4.668 1.00 44.41 C ATOM 1112 OD1 ASN A 69 13.590 16.002 3.611 1.00 53.05 O ATOM 1113 ND2 ASN A 69 15.510 15.631 4.714 1.00 64.23 N ATOM 0 H ASN A 69 14.052 18.404 4.869 1.00 72.13 H new ATOM 0 HA ASN A 69 12.378 17.393 7.089 1.00 4.50 H new ATOM 0 HB2 ASN A 69 14.038 15.328 6.737 1.00 33.40 H new ATOM 0 HB3 ASN A 69 12.502 15.431 5.900 1.00 33.40 H new ATOM 0 HD21 ASN A 69 16.050 15.585 3.850 1.00 64.23 H new ATOM 0 HD22 ASN A 69 15.976 15.510 5.613 1.00 64.23 H new ATOM 1120 N PRO A 70 14.353 18.883 8.066 1.00 73.41 N ATOM 1121 CA PRO A 70 15.389 19.387 8.971 1.00 5.11 C ATOM 1122 C PRO A 70 15.491 18.565 10.252 1.00 51.44 C ATOM 1123 O PRO A 70 16.588 18.249 10.711 1.00 13.10 O ATOM 1124 CB PRO A 70 14.924 20.811 9.285 1.00 10.11 C ATOM 1125 CG PRO A 70 13.448 20.780 9.084 1.00 42.32 C ATOM 1126 CD PRO A 70 13.202 19.797 7.973 1.00 2.00 C ATOM 0 HA PRO A 70 16.381 19.337 8.522 1.00 5.11 H new ATOM 0 HB2 PRO A 70 15.179 21.095 10.306 1.00 10.11 H new ATOM 0 HB3 PRO A 70 15.398 21.537 8.625 1.00 10.11 H new ATOM 0 HG2 PRO A 70 12.936 20.474 9.996 1.00 42.32 H new ATOM 0 HG3 PRO A 70 13.069 21.768 8.822 1.00 42.32 H new ATOM 0 HD2 PRO A 70 12.258 19.269 8.105 1.00 2.00 H new ATOM 0 HD3 PRO A 70 13.158 20.290 7.002 1.00 2.00 H new ATOM 1134 N GLU A 71 14.340 18.223 10.822 1.00 21.23 N ATOM 1135 CA GLU A 71 14.301 17.438 12.050 1.00 22.35 C ATOM 1136 C GLU A 71 14.778 16.010 11.799 1.00 2.10 C ATOM 1137 O GLU A 71 15.405 15.393 12.660 1.00 53.11 O ATOM 1138 CB GLU A 71 12.884 17.420 12.626 1.00 75.42 C ATOM 1139 CG GLU A 71 12.523 18.678 13.397 1.00 44.42 C ATOM 1140 CD GLU A 71 11.115 18.636 13.958 1.00 24.23 C ATOM 1141 OE1 GLU A 71 10.623 19.693 14.404 1.00 2.44 O ATOM 1142 OE2 GLU A 71 10.506 17.546 13.952 1.00 62.11 O ATOM 0 H GLU A 71 13.423 18.477 10.454 1.00 21.23 H new ATOM 0 HA GLU A 71 14.972 17.906 12.770 1.00 22.35 H new ATOM 0 HB2 GLU A 71 12.172 17.286 11.812 1.00 75.42 H new ATOM 0 HB3 GLU A 71 12.780 16.558 13.285 1.00 75.42 H new ATOM 0 HG2 GLU A 71 13.231 18.814 14.214 1.00 44.42 H new ATOM 0 HG3 GLU A 71 12.623 19.543 12.741 1.00 44.42 H new ATOM 1149 N ALA A 72 14.476 15.492 10.613 1.00 30.12 N ATOM 1150 CA ALA A 72 14.874 14.138 10.247 1.00 4.40 C ATOM 1151 C ALA A 72 16.362 13.916 10.501 1.00 54.32 C ATOM 1152 O ALA A 72 16.762 12.880 11.032 1.00 44.51 O ATOM 1153 CB ALA A 72 14.540 13.866 8.788 1.00 15.10 C ATOM 0 H ALA A 72 13.957 15.989 9.889 1.00 30.12 H new ATOM 0 HA ALA A 72 14.317 13.440 10.872 1.00 4.40 H new ATOM 0 HB1 ALA A 72 14.843 12.852 8.528 1.00 15.10 H new ATOM 0 HB2 ALA A 72 13.466 13.975 8.634 1.00 15.10 H new ATOM 0 HB3 ALA A 72 15.071 14.576 8.155 1.00 15.10 H new ATOM 1159 N ARG A 73 17.175 14.895 10.117 1.00 21.23 N ATOM 1160 CA ARG A 73 18.619 14.805 10.302 1.00 75.42 C ATOM 1161 C ARG A 73 18.961 14.440 11.744 1.00 54.25 C ATOM 1162 O ARG A 73 19.528 13.381 12.007 1.00 21.25 O ATOM 1163 CB ARG A 73 19.286 16.129 9.927 1.00 14.44 C ATOM 1164 CG ARG A 73 20.419 15.979 8.926 1.00 22.11 C ATOM 1165 CD ARG A 73 21.753 16.392 9.528 1.00 10.23 C ATOM 1166 NE ARG A 73 21.973 15.787 10.839 1.00 31.20 N ATOM 1167 CZ ARG A 73 22.826 16.267 11.737 1.00 43.05 C ATOM 1168 NH1 ARG A 73 23.536 17.354 11.466 1.00 31.13 N ATOM 1169 NH2 ARG A 73 22.971 15.660 12.908 1.00 51.14 N ATOM 0 H ARG A 73 16.859 15.759 9.676 1.00 21.23 H new ATOM 0 HA ARG A 73 18.996 14.019 9.648 1.00 75.42 H new ATOM 0 HB2 ARG A 73 18.534 16.800 9.513 1.00 14.44 H new ATOM 0 HB3 ARG A 73 19.671 16.601 10.831 1.00 14.44 H new ATOM 0 HG2 ARG A 73 20.475 14.943 8.591 1.00 22.11 H new ATOM 0 HG3 ARG A 73 20.212 16.588 8.046 1.00 22.11 H new ATOM 0 HD2 ARG A 73 22.560 16.102 8.855 1.00 10.23 H new ATOM 0 HD3 ARG A 73 21.789 17.478 9.619 1.00 10.23 H new ATOM 0 HE ARG A 73 21.442 14.949 11.078 1.00 31.20 H new ATOM 0 HH11 ARG A 73 23.428 17.823 10.567 1.00 31.13 H new ATOM 0 HH12 ARG A 73 24.190 17.721 12.157 1.00 31.13 H new ATOM 0 HH21 ARG A 73 22.427 14.824 13.120 1.00 51.14 H new ATOM 0 HH22 ARG A 73 23.626 16.030 13.596 1.00 51.14 H new ATOM 1183 N GLU A 74 18.612 15.326 12.671 1.00 13.03 N ATOM 1184 CA GLU A 74 18.883 15.097 14.086 1.00 45.35 C ATOM 1185 C GLU A 74 18.141 13.863 14.589 1.00 25.34 C ATOM 1186 O GLU A 74 18.600 13.181 15.506 1.00 3.10 O ATOM 1187 CB GLU A 74 18.478 16.321 14.910 1.00 45.00 C ATOM 1188 CG GLU A 74 19.357 16.553 16.128 1.00 63.53 C ATOM 1189 CD GLU A 74 19.148 17.921 16.746 1.00 2.13 C ATOM 1190 OE1 GLU A 74 18.589 18.802 16.061 1.00 54.25 O ATOM 1191 OE2 GLU A 74 19.544 18.111 17.915 1.00 10.22 O ATOM 0 H GLU A 74 18.142 16.208 12.468 1.00 13.03 H new ATOM 0 HA GLU A 74 19.954 14.928 14.202 1.00 45.35 H new ATOM 0 HB2 GLU A 74 18.513 17.205 14.273 1.00 45.00 H new ATOM 0 HB3 GLU A 74 17.444 16.204 15.235 1.00 45.00 H new ATOM 0 HG2 GLU A 74 19.148 15.786 16.874 1.00 63.53 H new ATOM 0 HG3 GLU A 74 20.403 16.443 15.843 1.00 63.53 H new ATOM 1198 N TRP A 75 16.993 13.582 13.984 1.00 1.43 N ATOM 1199 CA TRP A 75 16.187 12.430 14.372 1.00 54.44 C ATOM 1200 C TRP A 75 17.019 11.153 14.355 1.00 73.02 C ATOM 1201 O TRP A 75 16.763 10.224 15.122 1.00 52.25 O ATOM 1202 CB TRP A 75 14.986 12.284 13.435 1.00 42.30 C ATOM 1203 CG TRP A 75 13.837 11.547 14.053 1.00 13.41 C ATOM 1204 CD1 TRP A 75 13.220 11.836 15.237 1.00 54.13 C ATOM 1205 CD2 TRP A 75 13.169 10.399 13.520 1.00 72.13 C ATOM 1206 NE1 TRP A 75 12.208 10.936 15.471 1.00 1.13 N ATOM 1207 CE2 TRP A 75 12.156 10.045 14.432 1.00 32.24 C ATOM 1208 CE3 TRP A 75 13.326 9.636 12.359 1.00 2.43 C ATOM 1209 CZ2 TRP A 75 11.308 8.962 14.219 1.00 34.52 C ATOM 1210 CZ3 TRP A 75 12.484 8.561 12.149 1.00 13.43 C ATOM 1211 CH2 TRP A 75 11.484 8.232 13.075 1.00 43.43 C ATOM 0 H TRP A 75 16.599 14.136 13.223 1.00 1.43 H new ATOM 0 HA TRP A 75 15.829 12.594 15.388 1.00 54.44 H new ATOM 0 HB2 TRP A 75 14.650 13.275 13.129 1.00 42.30 H new ATOM 0 HB3 TRP A 75 15.300 11.761 12.532 1.00 42.30 H new ATOM 0 HD1 TRP A 75 13.488 12.651 15.893 1.00 54.13 H new ATOM 0 HE1 TRP A 75 11.595 10.932 16.286 1.00 1.13 H new ATOM 0 HE3 TRP A 75 14.092 9.883 11.639 1.00 2.43 H new ATOM 0 HZ2 TRP A 75 10.538 8.707 14.932 1.00 34.52 H new ATOM 0 HZ3 TRP A 75 12.598 7.964 11.256 1.00 13.43 H new ATOM 0 HH2 TRP A 75 10.840 7.386 12.882 1.00 43.43 H new ATOM 1222 N TYR A 76 18.015 11.113 13.477 1.00 32.40 N ATOM 1223 CA TYR A 76 18.883 9.947 13.360 1.00 42.24 C ATOM 1224 C TYR A 76 20.349 10.344 13.502 1.00 25.23 C ATOM 1225 O TYR A 76 21.246 9.515 13.351 1.00 73.14 O ATOM 1226 CB TYR A 76 18.660 9.252 12.016 1.00 71.05 C ATOM 1227 CG TYR A 76 19.353 7.913 11.904 1.00 71.20 C ATOM 1228 CD1 TYR A 76 20.060 7.568 10.759 1.00 43.03 C ATOM 1229 CD2 TYR A 76 19.300 6.992 12.943 1.00 73.01 C ATOM 1230 CE1 TYR A 76 20.695 6.345 10.652 1.00 55.42 C ATOM 1231 CE2 TYR A 76 19.932 5.768 12.845 1.00 21.34 C ATOM 1232 CZ TYR A 76 20.628 5.449 11.698 1.00 70.11 C ATOM 1233 OH TYR A 76 21.258 4.230 11.596 1.00 21.24 O ATOM 0 H TYR A 76 18.241 11.874 12.836 1.00 32.40 H new ATOM 0 HA TYR A 76 18.632 9.256 14.165 1.00 42.24 H new ATOM 0 HB2 TYR A 76 17.590 9.112 11.862 1.00 71.05 H new ATOM 0 HB3 TYR A 76 19.014 9.903 11.217 1.00 71.05 H new ATOM 0 HD1 TYR A 76 20.114 8.268 9.938 1.00 43.03 H new ATOM 0 HD2 TYR A 76 18.755 7.238 13.843 1.00 73.01 H new ATOM 0 HE1 TYR A 76 21.240 6.093 9.755 1.00 55.42 H new ATOM 0 HE2 TYR A 76 19.881 5.064 13.663 1.00 21.34 H new ATOM 0 HH TYR A 76 21.115 3.718 12.419 1.00 21.24 H new ATOM 1243 N ASN A 77 20.585 11.618 13.796 1.00 50.50 N ATOM 1244 CA ASN A 77 21.942 12.127 13.960 1.00 60.02 C ATOM 1245 C ASN A 77 22.819 11.727 12.777 1.00 2.23 C ATOM 1246 O ASN A 77 23.492 10.697 12.811 1.00 23.44 O ATOM 1247 CB ASN A 77 22.552 11.603 15.262 1.00 74.24 C ATOM 1248 CG ASN A 77 21.499 11.287 16.307 1.00 62.54 C ATOM 1249 OD1 ASN A 77 21.261 10.123 16.632 1.00 41.25 O ATOM 1250 ND2 ASN A 77 20.863 12.324 16.838 1.00 20.13 N ATOM 0 H ASN A 77 19.854 12.317 13.926 1.00 50.50 H new ATOM 0 HA ASN A 77 21.893 13.215 14.002 1.00 60.02 H new ATOM 0 HB2 ASN A 77 23.133 10.705 15.052 1.00 74.24 H new ATOM 0 HB3 ASN A 77 23.244 12.345 15.660 1.00 74.24 H new ATOM 0 HD21 ASN A 77 20.144 12.173 17.546 1.00 20.13 H new ATOM 0 HD22 ASN A 77 21.093 13.271 16.538 1.00 20.13 H new ATOM 1257 N ILE A 78 22.807 12.549 11.734 1.00 55.43 N ATOM 1258 CA ILE A 78 23.602 12.283 10.542 1.00 71.53 C ATOM 1259 C ILE A 78 24.834 13.179 10.491 1.00 25.02 C ATOM 1260 O ILE A 78 24.734 14.400 10.613 1.00 13.31 O ATOM 1261 CB ILE A 78 22.778 12.489 9.257 1.00 31.01 C ATOM 1262 CG1 ILE A 78 21.727 11.386 9.116 1.00 22.33 C ATOM 1263 CG2 ILE A 78 23.691 12.517 8.041 1.00 62.53 C ATOM 1264 CD1 ILE A 78 20.318 11.911 8.951 1.00 21.43 C ATOM 0 H ILE A 78 22.255 13.406 11.690 1.00 55.43 H new ATOM 0 HA ILE A 78 23.916 11.241 10.599 1.00 71.53 H new ATOM 0 HB ILE A 78 22.264 13.448 9.323 1.00 31.01 H new ATOM 0 HG12 ILE A 78 21.977 10.765 8.256 1.00 22.33 H new ATOM 0 HG13 ILE A 78 21.766 10.744 9.996 1.00 22.33 H new ATOM 0 HG21 ILE A 78 23.094 12.663 7.141 1.00 62.53 H new ATOM 0 HG22 ILE A 78 24.404 13.335 8.140 1.00 62.53 H new ATOM 0 HG23 ILE A 78 24.230 11.572 7.969 1.00 62.53 H new ATOM 0 HD11 ILE A 78 19.626 11.074 8.857 1.00 21.43 H new ATOM 0 HD12 ILE A 78 20.048 12.508 9.822 1.00 21.43 H new ATOM 0 HD13 ILE A 78 20.263 12.530 8.055 1.00 21.43 H new ATOM 1276 N THR A 79 25.999 12.565 10.309 1.00 63.32 N ATOM 1277 CA THR A 79 27.252 13.306 10.241 1.00 1.31 C ATOM 1278 C THR A 79 27.692 13.511 8.796 1.00 3.31 C ATOM 1279 O THR A 79 28.360 14.494 8.474 1.00 24.32 O ATOM 1280 CB THR A 79 28.375 12.584 11.010 1.00 14.32 C ATOM 1281 OG1 THR A 79 28.288 11.172 10.792 1.00 62.24 O ATOM 1282 CG2 THR A 79 28.285 12.878 12.500 1.00 4.41 C ATOM 0 H THR A 79 26.101 11.555 10.206 1.00 63.32 H new ATOM 0 HA THR A 79 27.070 14.276 10.704 1.00 1.31 H new ATOM 0 HB THR A 79 29.333 12.950 10.640 1.00 14.32 H new ATOM 0 HG1 THR A 79 29.006 10.720 11.283 1.00 62.24 H new ATOM 0 HG21 THR A 79 29.088 12.358 13.023 1.00 4.41 H new ATOM 0 HG22 THR A 79 28.380 13.951 12.665 1.00 4.41 H new ATOM 0 HG23 THR A 79 27.323 12.536 12.881 1.00 4.41 H new ATOM 1290 N SER A 80 27.313 12.578 7.929 1.00 41.22 N ATOM 1291 CA SER A 80 27.672 12.655 6.517 1.00 13.55 C ATOM 1292 C SER A 80 26.464 13.046 5.671 1.00 62.44 C ATOM 1293 O SER A 80 25.671 12.194 5.269 1.00 24.41 O ATOM 1294 CB SER A 80 28.234 11.316 6.038 1.00 34.42 C ATOM 1295 OG SER A 80 27.925 10.277 6.952 1.00 50.23 O ATOM 0 H SER A 80 26.758 11.760 8.179 1.00 41.22 H new ATOM 0 HA SER A 80 28.437 13.423 6.403 1.00 13.55 H new ATOM 0 HB2 SER A 80 27.824 11.076 5.057 1.00 34.42 H new ATOM 0 HB3 SER A 80 29.315 11.393 5.921 1.00 34.42 H new ATOM 0 HG SER A 80 28.697 9.679 7.041 1.00 50.23 H new ATOM 1301 N VAL A 81 26.331 14.341 5.403 1.00 72.23 N ATOM 1302 CA VAL A 81 25.221 14.846 4.603 1.00 62.31 C ATOM 1303 C VAL A 81 24.847 13.863 3.499 1.00 25.20 C ATOM 1304 O VAL A 81 23.714 13.389 3.413 1.00 43.23 O ATOM 1305 CB VAL A 81 25.560 16.208 3.969 1.00 24.10 C ATOM 1306 CG1 VAL A 81 24.470 17.225 4.273 1.00 65.54 C ATOM 1307 CG2 VAL A 81 26.913 16.701 4.460 1.00 40.41 C ATOM 0 H VAL A 81 26.978 15.060 5.728 1.00 72.23 H new ATOM 0 HA VAL A 81 24.374 14.969 5.279 1.00 62.31 H new ATOM 0 HB VAL A 81 25.615 16.083 2.888 1.00 24.10 H new ATOM 0 HG11 VAL A 81 24.727 18.181 3.817 1.00 65.54 H new ATOM 0 HG12 VAL A 81 23.521 16.873 3.868 1.00 65.54 H new ATOM 0 HG13 VAL A 81 24.380 17.350 5.352 1.00 65.54 H new ATOM 0 HG21 VAL A 81 27.137 17.665 4.002 1.00 40.41 H new ATOM 0 HG22 VAL A 81 26.889 16.811 5.544 1.00 40.41 H new ATOM 0 HG23 VAL A 81 27.684 15.981 4.186 1.00 40.41 H new ATOM 1317 N PRO A 82 25.822 13.547 2.633 1.00 20.23 N ATOM 1318 CA PRO A 82 25.620 12.616 1.519 1.00 11.00 C ATOM 1319 C PRO A 82 25.438 11.177 1.991 1.00 44.50 C ATOM 1320 O PRO A 82 26.361 10.365 1.912 1.00 51.44 O ATOM 1321 CB PRO A 82 26.908 12.753 0.704 1.00 25.02 C ATOM 1322 CG PRO A 82 27.931 13.212 1.686 1.00 34.32 C ATOM 1323 CD PRO A 82 27.197 14.074 2.676 1.00 75.51 C ATOM 0 HA PRO A 82 24.716 12.846 0.955 1.00 11.00 H new ATOM 0 HB2 PRO A 82 27.192 11.803 0.251 1.00 25.02 H new ATOM 0 HB3 PRO A 82 26.788 13.471 -0.108 1.00 25.02 H new ATOM 0 HG2 PRO A 82 28.404 12.364 2.182 1.00 34.32 H new ATOM 0 HG3 PRO A 82 28.723 13.774 1.191 1.00 34.32 H new ATOM 0 HD2 PRO A 82 27.627 13.995 3.675 1.00 75.51 H new ATOM 0 HD3 PRO A 82 27.233 15.127 2.396 1.00 75.51 H new ATOM 1331 N THR A 83 24.243 10.867 2.483 1.00 72.04 N ATOM 1332 CA THR A 83 23.941 9.526 2.968 1.00 14.40 C ATOM 1333 C THR A 83 23.071 8.765 1.974 1.00 31.13 C ATOM 1334 O THR A 83 22.231 9.352 1.292 1.00 33.12 O ATOM 1335 CB THR A 83 23.224 9.571 4.331 1.00 25.31 C ATOM 1336 OG1 THR A 83 22.983 10.929 4.714 1.00 41.33 O ATOM 1337 CG2 THR A 83 24.054 8.877 5.401 1.00 60.10 C ATOM 0 H THR A 83 23.468 11.526 2.556 1.00 72.04 H new ATOM 0 HA THR A 83 24.894 9.009 3.083 1.00 14.40 H new ATOM 0 HB THR A 83 22.273 9.048 4.234 1.00 25.31 H new ATOM 0 HG1 THR A 83 22.085 11.006 5.098 1.00 41.33 H new ATOM 0 HG21 THR A 83 23.528 8.921 6.355 1.00 60.10 H new ATOM 0 HG22 THR A 83 24.211 7.835 5.121 1.00 60.10 H new ATOM 0 HG23 THR A 83 25.018 9.377 5.495 1.00 60.10 H new ATOM 1345 N PHE A 84 23.277 7.454 1.898 1.00 42.34 N ATOM 1346 CA PHE A 84 22.511 6.612 0.986 1.00 24.03 C ATOM 1347 C PHE A 84 21.828 5.476 1.741 1.00 73.41 C ATOM 1348 O PHE A 84 22.488 4.580 2.268 1.00 14.15 O ATOM 1349 CB PHE A 84 23.423 6.041 -0.102 1.00 21.22 C ATOM 1350 CG PHE A 84 23.526 6.916 -1.318 1.00 1.31 C ATOM 1351 CD1 PHE A 84 24.061 8.191 -1.227 1.00 11.22 C ATOM 1352 CD2 PHE A 84 23.088 6.464 -2.552 1.00 53.42 C ATOM 1353 CE1 PHE A 84 24.158 8.999 -2.344 1.00 54.30 C ATOM 1354 CE2 PHE A 84 23.182 7.268 -3.673 1.00 22.32 C ATOM 1355 CZ PHE A 84 23.717 8.537 -3.568 1.00 54.15 C ATOM 0 H PHE A 84 23.967 6.952 2.456 1.00 42.34 H new ATOM 0 HA PHE A 84 21.743 7.229 0.519 1.00 24.03 H new ATOM 0 HB2 PHE A 84 24.420 5.890 0.313 1.00 21.22 H new ATOM 0 HB3 PHE A 84 23.050 5.061 -0.400 1.00 21.22 H new ATOM 0 HD1 PHE A 84 24.406 8.558 -0.272 1.00 11.22 H new ATOM 0 HD2 PHE A 84 22.668 5.473 -2.639 1.00 53.42 H new ATOM 0 HE1 PHE A 84 24.578 9.990 -2.260 1.00 54.30 H new ATOM 0 HE2 PHE A 84 22.837 6.904 -4.630 1.00 22.32 H new ATOM 0 HZ PHE A 84 23.790 9.167 -4.442 1.00 54.15 H new ATOM 1365 N VAL A 85 20.500 5.519 1.788 1.00 10.35 N ATOM 1366 CA VAL A 85 19.725 4.494 2.478 1.00 45.14 C ATOM 1367 C VAL A 85 18.947 3.635 1.488 1.00 53.45 C ATOM 1368 O VAL A 85 18.278 4.154 0.593 1.00 71.21 O ATOM 1369 CB VAL A 85 18.741 5.117 3.485 1.00 22.14 C ATOM 1370 CG1 VAL A 85 18.095 4.036 4.339 1.00 40.04 C ATOM 1371 CG2 VAL A 85 19.450 6.143 4.357 1.00 54.02 C ATOM 0 H VAL A 85 19.938 6.253 1.356 1.00 10.35 H new ATOM 0 HA VAL A 85 20.436 3.868 3.017 1.00 45.14 H new ATOM 0 HB VAL A 85 17.954 5.627 2.930 1.00 22.14 H new ATOM 0 HG11 VAL A 85 17.403 4.495 5.045 1.00 40.04 H new ATOM 0 HG12 VAL A 85 17.552 3.342 3.698 1.00 40.04 H new ATOM 0 HG13 VAL A 85 18.867 3.496 4.887 1.00 40.04 H new ATOM 0 HG21 VAL A 85 18.740 6.573 5.063 1.00 54.02 H new ATOM 0 HG22 VAL A 85 20.258 5.658 4.905 1.00 54.02 H new ATOM 0 HG23 VAL A 85 19.861 6.933 3.728 1.00 54.02 H new ATOM 1381 N ILE A 86 19.038 2.320 1.654 1.00 14.31 N ATOM 1382 CA ILE A 86 18.340 1.390 0.776 1.00 71.53 C ATOM 1383 C ILE A 86 17.245 0.640 1.527 1.00 22.04 C ATOM 1384 O ILE A 86 17.480 0.098 2.607 1.00 70.23 O ATOM 1385 CB ILE A 86 19.310 0.369 0.152 1.00 22.24 C ATOM 1386 CG1 ILE A 86 20.739 0.916 0.166 1.00 10.15 C ATOM 1387 CG2 ILE A 86 18.881 0.029 -1.267 1.00 64.12 C ATOM 1388 CD1 ILE A 86 21.750 -0.018 -0.460 1.00 23.54 C ATOM 0 H ILE A 86 19.588 1.875 2.388 1.00 14.31 H new ATOM 0 HA ILE A 86 17.890 1.985 -0.019 1.00 71.53 H new ATOM 0 HB ILE A 86 19.285 -0.544 0.747 1.00 22.24 H new ATOM 0 HG12 ILE A 86 20.760 1.868 -0.364 1.00 10.15 H new ATOM 0 HG13 ILE A 86 21.032 1.118 1.196 1.00 10.15 H new ATOM 0 HG21 ILE A 86 19.576 -0.694 -1.694 1.00 64.12 H new ATOM 0 HG22 ILE A 86 17.878 -0.398 -1.252 1.00 64.12 H new ATOM 0 HG23 ILE A 86 18.880 0.934 -1.874 1.00 64.12 H new ATOM 0 HD11 ILE A 86 22.740 0.435 -0.415 1.00 23.54 H new ATOM 0 HD12 ILE A 86 21.758 -0.963 0.083 1.00 23.54 H new ATOM 0 HD13 ILE A 86 21.481 -0.200 -1.501 1.00 23.54 H new ATOM 1400 N GLU A 87 16.049 0.613 0.948 1.00 61.32 N ATOM 1401 CA GLU A 87 14.918 -0.072 1.563 1.00 2.23 C ATOM 1402 C GLU A 87 14.376 -1.163 0.644 1.00 45.42 C ATOM 1403 O GLU A 87 14.778 -1.270 -0.515 1.00 52.12 O ATOM 1404 CB GLU A 87 13.808 0.928 1.896 1.00 23.52 C ATOM 1405 CG GLU A 87 12.944 1.297 0.702 1.00 1.34 C ATOM 1406 CD GLU A 87 13.736 1.960 -0.408 1.00 52.10 C ATOM 1407 OE1 GLU A 87 14.413 1.235 -1.167 1.00 51.41 O ATOM 1408 OE2 GLU A 87 13.679 3.203 -0.518 1.00 72.40 O ATOM 0 H GLU A 87 15.838 1.057 0.054 1.00 61.32 H new ATOM 0 HA GLU A 87 15.266 -0.538 2.485 1.00 2.23 H new ATOM 0 HB2 GLU A 87 13.174 0.508 2.677 1.00 23.52 H new ATOM 0 HB3 GLU A 87 14.257 1.834 2.303 1.00 23.52 H new ATOM 0 HG2 GLU A 87 12.464 0.399 0.314 1.00 1.34 H new ATOM 0 HG3 GLU A 87 12.149 1.968 1.027 1.00 1.34 H new ATOM 1415 N LYS A 88 13.462 -1.971 1.169 1.00 3.03 N ATOM 1416 CA LYS A 88 12.864 -3.054 0.398 1.00 55.31 C ATOM 1417 C LYS A 88 11.656 -3.636 1.125 1.00 73.33 C ATOM 1418 O LYS A 88 11.774 -4.137 2.242 1.00 14.03 O ATOM 1419 CB LYS A 88 13.895 -4.154 0.138 1.00 3.23 C ATOM 1420 CG LYS A 88 13.988 -4.569 -1.320 1.00 33.33 C ATOM 1421 CD LYS A 88 13.071 -5.742 -1.624 1.00 55.25 C ATOM 1422 CE LYS A 88 11.726 -5.273 -2.161 1.00 25.43 C ATOM 1423 NZ LYS A 88 11.783 -4.979 -3.619 1.00 43.13 N ATOM 0 H LYS A 88 13.119 -1.896 2.127 1.00 3.03 H new ATOM 0 HA LYS A 88 12.530 -2.646 -0.556 1.00 55.31 H new ATOM 0 HB2 LYS A 88 14.874 -3.809 0.472 1.00 3.23 H new ATOM 0 HB3 LYS A 88 13.642 -5.027 0.740 1.00 3.23 H new ATOM 0 HG2 LYS A 88 13.724 -3.725 -1.957 1.00 33.33 H new ATOM 0 HG3 LYS A 88 15.017 -4.839 -1.558 1.00 33.33 H new ATOM 0 HD2 LYS A 88 13.547 -6.398 -2.353 1.00 55.25 H new ATOM 0 HD3 LYS A 88 12.918 -6.330 -0.719 1.00 55.25 H new ATOM 0 HE2 LYS A 88 10.973 -6.039 -1.974 1.00 25.43 H new ATOM 0 HE3 LYS A 88 11.412 -4.379 -1.622 1.00 25.43 H new ATOM 0 HZ1 LYS A 88 11.030 -4.306 -3.867 1.00 43.13 H new ATOM 0 HZ2 LYS A 88 12.708 -4.565 -3.854 1.00 43.13 H new ATOM 0 HZ3 LYS A 88 11.651 -5.860 -4.156 1.00 43.13 H new ATOM 1437 N GLY A 89 10.494 -3.569 0.481 1.00 11.54 N ATOM 1438 CA GLY A 89 9.282 -4.094 1.082 1.00 72.33 C ATOM 1439 C GLY A 89 8.817 -3.270 2.266 1.00 74.22 C ATOM 1440 O GLY A 89 7.905 -3.669 2.989 1.00 22.53 O ATOM 0 H GLY A 89 10.371 -3.161 -0.446 1.00 11.54 H new ATOM 0 HA2 GLY A 89 8.492 -4.124 0.332 1.00 72.33 H new ATOM 0 HA3 GLY A 89 9.455 -5.121 1.404 1.00 72.33 H new ATOM 1444 N GLY A 90 9.446 -2.116 2.466 1.00 52.15 N ATOM 1445 CA GLY A 90 9.078 -1.253 3.573 1.00 43.44 C ATOM 1446 C GLY A 90 9.908 -1.516 4.813 1.00 2.14 C ATOM 1447 O GLY A 90 9.388 -1.510 5.928 1.00 35.33 O ATOM 0 H GLY A 90 10.204 -1.763 1.881 1.00 52.15 H new ATOM 0 HA2 GLY A 90 9.198 -0.212 3.273 1.00 43.44 H new ATOM 0 HA3 GLY A 90 8.024 -1.398 3.808 1.00 43.44 H new ATOM 1451 N GLU A 91 11.203 -1.749 4.619 1.00 14.24 N ATOM 1452 CA GLU A 91 12.105 -2.018 5.733 1.00 71.12 C ATOM 1453 C GLU A 91 13.558 -1.802 5.320 1.00 60.31 C ATOM 1454 O GLU A 91 13.916 -1.891 4.145 1.00 13.11 O ATOM 1455 CB GLU A 91 11.914 -3.450 6.238 1.00 0.32 C ATOM 1456 CG GLU A 91 11.243 -3.530 7.599 1.00 25.33 C ATOM 1457 CD GLU A 91 10.006 -4.406 7.589 1.00 74.12 C ATOM 1458 OE1 GLU A 91 9.960 -5.377 8.373 1.00 61.21 O ATOM 1459 OE2 GLU A 91 9.083 -4.121 6.797 1.00 1.01 O ATOM 0 H GLU A 91 11.650 -1.757 3.702 1.00 14.24 H new ATOM 0 HA GLU A 91 11.867 -1.322 6.537 1.00 71.12 H new ATOM 0 HB2 GLU A 91 11.317 -4.005 5.514 1.00 0.32 H new ATOM 0 HB3 GLU A 91 12.886 -3.940 6.292 1.00 0.32 H new ATOM 0 HG2 GLU A 91 11.954 -3.920 8.328 1.00 25.33 H new ATOM 0 HG3 GLU A 91 10.970 -2.526 7.925 1.00 25.33 H new ATOM 1466 N PRO A 92 14.417 -1.512 6.308 1.00 14.55 N ATOM 1467 CA PRO A 92 15.844 -1.277 6.073 1.00 4.14 C ATOM 1468 C PRO A 92 16.583 -2.550 5.674 1.00 40.31 C ATOM 1469 O PRO A 92 16.491 -3.573 6.354 1.00 54.33 O ATOM 1470 CB PRO A 92 16.348 -0.769 7.427 1.00 51.22 C ATOM 1471 CG PRO A 92 15.395 -1.334 8.422 1.00 34.42 C ATOM 1472 CD PRO A 92 14.060 -1.390 7.732 1.00 52.00 C ATOM 0 HA PRO A 92 16.012 -0.581 5.251 1.00 4.14 H new ATOM 0 HB2 PRO A 92 17.367 -1.103 7.621 1.00 51.22 H new ATOM 0 HB3 PRO A 92 16.358 0.320 7.462 1.00 51.22 H new ATOM 0 HG2 PRO A 92 15.710 -2.327 8.744 1.00 34.42 H new ATOM 0 HG3 PRO A 92 15.347 -0.710 9.314 1.00 34.42 H new ATOM 0 HD2 PRO A 92 13.467 -2.239 8.072 1.00 52.00 H new ATOM 0 HD3 PRO A 92 13.471 -0.493 7.923 1.00 52.00 H new ATOM 1480 N LEU A 93 17.316 -2.480 4.568 1.00 22.33 N ATOM 1481 CA LEU A 93 18.072 -3.628 4.078 1.00 10.23 C ATOM 1482 C LEU A 93 19.560 -3.303 3.992 1.00 31.31 C ATOM 1483 O LEU A 93 20.408 -4.153 4.263 1.00 53.41 O ATOM 1484 CB LEU A 93 17.552 -4.057 2.705 1.00 33.54 C ATOM 1485 CG LEU A 93 17.906 -5.479 2.268 1.00 32.34 C ATOM 1486 CD1 LEU A 93 17.351 -6.495 3.255 1.00 53.10 C ATOM 1487 CD2 LEU A 93 17.381 -5.753 0.867 1.00 53.25 C ATOM 0 H LEU A 93 17.403 -1.641 3.994 1.00 22.33 H new ATOM 0 HA LEU A 93 17.938 -4.448 4.783 1.00 10.23 H new ATOM 0 HB2 LEU A 93 16.467 -3.957 2.702 1.00 33.54 H new ATOM 0 HB3 LEU A 93 17.938 -3.362 1.959 1.00 33.54 H new ATOM 0 HG LEU A 93 18.992 -5.573 2.252 1.00 32.34 H new ATOM 0 HD11 LEU A 93 17.613 -7.501 2.927 1.00 53.10 H new ATOM 0 HD12 LEU A 93 17.776 -6.313 4.242 1.00 53.10 H new ATOM 0 HD13 LEU A 93 16.266 -6.400 3.304 1.00 53.10 H new ATOM 0 HD21 LEU A 93 17.642 -6.770 0.573 1.00 53.25 H new ATOM 0 HD22 LEU A 93 16.297 -5.639 0.856 1.00 53.25 H new ATOM 0 HD23 LEU A 93 17.827 -5.047 0.167 1.00 53.25 H new ATOM 1499 N GLY A 94 19.870 -2.066 3.615 1.00 71.52 N ATOM 1500 CA GLY A 94 21.256 -1.651 3.502 1.00 53.22 C ATOM 1501 C GLY A 94 21.420 -0.147 3.600 1.00 32.12 C ATOM 1502 O GLY A 94 20.461 0.601 3.416 1.00 54.23 O ATOM 0 H GLY A 94 19.186 -1.344 3.386 1.00 71.52 H new ATOM 0 HA2 GLY A 94 21.841 -2.129 4.288 1.00 53.22 H new ATOM 0 HA3 GLY A 94 21.659 -1.996 2.550 1.00 53.22 H new ATOM 1506 N GLU A 95 22.638 0.296 3.893 1.00 25.14 N ATOM 1507 CA GLU A 95 22.923 1.721 4.018 1.00 21.55 C ATOM 1508 C GLU A 95 24.428 1.974 4.056 1.00 75.50 C ATOM 1509 O GLU A 95 25.192 1.163 4.580 1.00 11.11 O ATOM 1510 CB GLU A 95 22.268 2.285 5.281 1.00 43.21 C ATOM 1511 CG GLU A 95 22.976 1.885 6.565 1.00 41.44 C ATOM 1512 CD GLU A 95 22.194 2.268 7.806 1.00 53.32 C ATOM 1513 OE1 GLU A 95 21.530 3.326 7.785 1.00 73.11 O ATOM 1514 OE2 GLU A 95 22.245 1.511 8.797 1.00 4.44 O ATOM 0 H GLU A 95 23.443 -0.311 4.048 1.00 25.14 H new ATOM 0 HA GLU A 95 22.509 2.226 3.145 1.00 21.55 H new ATOM 0 HB2 GLU A 95 22.244 3.373 5.213 1.00 43.21 H new ATOM 0 HB3 GLU A 95 21.233 1.946 5.326 1.00 43.21 H new ATOM 0 HG2 GLU A 95 23.143 0.808 6.563 1.00 41.44 H new ATOM 0 HG3 GLU A 95 23.957 2.359 6.597 1.00 41.44 H new ATOM 1521 N VAL A 96 24.846 3.104 3.495 1.00 33.14 N ATOM 1522 CA VAL A 96 26.258 3.465 3.464 1.00 11.25 C ATOM 1523 C VAL A 96 26.462 4.920 3.872 1.00 21.14 C ATOM 1524 O VAL A 96 25.614 5.774 3.613 1.00 3.12 O ATOM 1525 CB VAL A 96 26.863 3.246 2.065 1.00 12.10 C ATOM 1526 CG1 VAL A 96 28.340 3.610 2.059 1.00 72.14 C ATOM 1527 CG2 VAL A 96 26.658 1.807 1.616 1.00 53.33 C ATOM 0 H VAL A 96 24.227 3.785 3.056 1.00 33.14 H new ATOM 0 HA VAL A 96 26.766 2.816 4.177 1.00 11.25 H new ATOM 0 HB VAL A 96 26.350 3.899 1.359 1.00 12.10 H new ATOM 0 HG11 VAL A 96 28.750 3.449 1.062 1.00 72.14 H new ATOM 0 HG12 VAL A 96 28.458 4.658 2.335 1.00 72.14 H new ATOM 0 HG13 VAL A 96 28.872 2.984 2.776 1.00 72.14 H new ATOM 0 HG21 VAL A 96 27.092 1.670 0.625 1.00 53.33 H new ATOM 0 HG22 VAL A 96 27.144 1.133 2.321 1.00 53.33 H new ATOM 0 HG23 VAL A 96 25.591 1.586 1.579 1.00 53.33 H new ATOM 1537 N LYS A 97 27.593 5.196 4.512 1.00 24.13 N ATOM 1538 CA LYS A 97 27.912 6.548 4.956 1.00 60.14 C ATOM 1539 C LYS A 97 29.268 6.992 4.417 1.00 25.52 C ATOM 1540 O LYS A 97 30.309 6.679 4.995 1.00 52.12 O ATOM 1541 CB LYS A 97 27.910 6.619 6.484 1.00 1.23 C ATOM 1542 CG LYS A 97 26.753 5.873 7.127 1.00 45.05 C ATOM 1543 CD LYS A 97 27.227 4.616 7.837 1.00 74.34 C ATOM 1544 CE LYS A 97 26.231 4.165 8.895 1.00 42.04 C ATOM 1545 NZ LYS A 97 24.878 3.930 8.319 1.00 62.43 N ATOM 0 H LYS A 97 28.305 4.501 4.735 1.00 24.13 H new ATOM 0 HA LYS A 97 27.148 7.221 4.567 1.00 60.14 H new ATOM 0 HB2 LYS A 97 28.848 6.210 6.859 1.00 1.23 H new ATOM 0 HB3 LYS A 97 27.872 7.664 6.791 1.00 1.23 H new ATOM 0 HG2 LYS A 97 26.248 6.526 7.839 1.00 45.05 H new ATOM 0 HG3 LYS A 97 26.021 5.607 6.364 1.00 45.05 H new ATOM 0 HD2 LYS A 97 27.372 3.818 7.109 1.00 74.34 H new ATOM 0 HD3 LYS A 97 28.195 4.803 8.303 1.00 74.34 H new ATOM 0 HE2 LYS A 97 26.590 3.249 9.365 1.00 42.04 H new ATOM 0 HE3 LYS A 97 26.166 4.920 9.678 1.00 42.04 H new ATOM 0 HZ1 LYS A 97 24.197 4.583 8.756 1.00 62.43 H new ATOM 0 HZ2 LYS A 97 24.905 4.093 7.292 1.00 62.43 H new ATOM 0 HZ3 LYS A 97 24.587 2.949 8.506 1.00 62.43 H new ATOM 1559 N GLY A 98 29.249 7.723 3.307 1.00 2.32 N ATOM 1560 CA GLY A 98 30.484 8.199 2.711 1.00 52.02 C ATOM 1561 C GLY A 98 30.408 8.269 1.198 1.00 14.45 C ATOM 1562 O GLY A 98 29.601 7.589 0.564 1.00 42.22 O ATOM 0 H GLY A 98 28.401 7.994 2.810 1.00 2.32 H new ATOM 0 HA2 GLY A 98 30.717 9.188 3.106 1.00 52.02 H new ATOM 0 HA3 GLY A 98 31.302 7.539 3.001 1.00 52.02 H new ATOM 1566 N PRO A 99 31.262 9.111 0.598 1.00 62.44 N ATOM 1567 CA PRO A 99 31.307 9.288 -0.857 1.00 10.42 C ATOM 1568 C PRO A 99 31.858 8.061 -1.574 1.00 72.32 C ATOM 1569 O PRO A 99 33.072 7.876 -1.666 1.00 14.12 O ATOM 1570 CB PRO A 99 32.248 10.482 -1.039 1.00 62.45 C ATOM 1571 CG PRO A 99 33.113 10.472 0.174 1.00 74.51 C ATOM 1572 CD PRO A 99 32.251 9.953 1.292 1.00 60.43 C ATOM 0 HA PRO A 99 30.314 9.441 -1.280 1.00 10.42 H new ATOM 0 HB2 PRO A 99 32.841 10.384 -1.948 1.00 62.45 H new ATOM 0 HB3 PRO A 99 31.691 11.416 -1.121 1.00 62.45 H new ATOM 0 HG2 PRO A 99 33.985 9.836 0.026 1.00 74.51 H new ATOM 0 HG3 PRO A 99 33.483 11.473 0.398 1.00 74.51 H new ATOM 0 HD2 PRO A 99 32.832 9.379 2.014 1.00 60.43 H new ATOM 0 HD3 PRO A 99 31.773 10.765 1.841 1.00 60.43 H new ATOM 1580 N ASP A 100 30.959 7.225 -2.082 1.00 34.24 N ATOM 1581 CA ASP A 100 31.355 6.015 -2.793 1.00 21.14 C ATOM 1582 C ASP A 100 30.385 5.711 -3.930 1.00 64.04 C ATOM 1583 O ASP A 100 29.803 4.628 -3.990 1.00 21.42 O ATOM 1584 CB ASP A 100 31.418 4.829 -1.829 1.00 30.10 C ATOM 1585 CG ASP A 100 30.066 4.501 -1.225 1.00 45.13 C ATOM 1586 OD1 ASP A 100 29.954 3.453 -0.555 1.00 1.20 O ATOM 1587 OD2 ASP A 100 29.121 5.293 -1.422 1.00 64.14 O ATOM 0 H ASP A 100 29.951 7.363 -2.015 1.00 34.24 H new ATOM 0 HA ASP A 100 32.345 6.181 -3.218 1.00 21.14 H new ATOM 0 HB2 ASP A 100 31.798 3.955 -2.357 1.00 30.10 H new ATOM 0 HB3 ASP A 100 32.125 5.051 -1.030 1.00 30.10 H new ATOM 1592 N ILE A 101 30.217 6.674 -4.830 1.00 73.12 N ATOM 1593 CA ILE A 101 29.318 6.509 -5.966 1.00 33.23 C ATOM 1594 C ILE A 101 29.701 5.289 -6.797 1.00 55.10 C ATOM 1595 O ILE A 101 28.851 4.671 -7.439 1.00 10.11 O ATOM 1596 CB ILE A 101 29.320 7.754 -6.871 1.00 52.52 C ATOM 1597 CG1 ILE A 101 28.641 8.928 -6.163 1.00 13.25 C ATOM 1598 CG2 ILE A 101 28.625 7.452 -8.190 1.00 61.54 C ATOM 1599 CD1 ILE A 101 27.168 8.705 -5.899 1.00 21.43 C ATOM 0 H ILE A 101 30.691 7.576 -4.795 1.00 73.12 H new ATOM 0 HA ILE A 101 28.317 6.368 -5.558 1.00 33.23 H new ATOM 0 HB ILE A 101 30.354 8.029 -7.081 1.00 52.52 H new ATOM 0 HG12 ILE A 101 29.148 9.113 -5.216 1.00 13.25 H new ATOM 0 HG13 ILE A 101 28.761 9.826 -6.769 1.00 13.25 H new ATOM 0 HG21 ILE A 101 28.635 8.342 -8.819 1.00 61.54 H new ATOM 0 HG22 ILE A 101 29.147 6.642 -8.699 1.00 61.54 H new ATOM 0 HG23 ILE A 101 27.594 7.155 -7.998 1.00 61.54 H new ATOM 0 HD11 ILE A 101 26.753 9.578 -5.395 1.00 21.43 H new ATOM 0 HD12 ILE A 101 26.648 8.550 -6.845 1.00 21.43 H new ATOM 0 HD13 ILE A 101 27.041 7.826 -5.267 1.00 21.43 H new ATOM 1611 N ASP A 102 30.984 4.947 -6.779 1.00 40.12 N ATOM 1612 CA ASP A 102 31.480 3.799 -7.529 1.00 71.11 C ATOM 1613 C ASP A 102 31.139 2.495 -6.814 1.00 62.15 C ATOM 1614 O ASP A 102 30.622 1.558 -7.423 1.00 31.34 O ATOM 1615 CB ASP A 102 32.993 3.907 -7.727 1.00 32.54 C ATOM 1616 CG ASP A 102 33.402 3.727 -9.175 1.00 73.23 C ATOM 1617 OD1 ASP A 102 34.374 4.384 -9.604 1.00 34.02 O ATOM 1618 OD2 ASP A 102 32.750 2.928 -9.880 1.00 44.25 O ATOM 0 H ASP A 102 31.700 5.448 -6.253 1.00 40.12 H new ATOM 0 HA ASP A 102 30.994 3.795 -8.505 1.00 71.11 H new ATOM 0 HB2 ASP A 102 33.334 4.881 -7.375 1.00 32.54 H new ATOM 0 HB3 ASP A 102 33.491 3.154 -7.116 1.00 32.54 H new ATOM 1623 N LYS A 103 31.434 2.441 -5.520 1.00 12.21 N ATOM 1624 CA LYS A 103 31.159 1.253 -4.721 1.00 22.11 C ATOM 1625 C LYS A 103 29.657 1.029 -4.577 1.00 2.43 C ATOM 1626 O LYS A 103 29.212 -0.069 -4.241 1.00 61.13 O ATOM 1627 CB LYS A 103 31.801 1.384 -3.338 1.00 22.51 C ATOM 1628 CG LYS A 103 32.018 0.052 -2.640 1.00 4.11 C ATOM 1629 CD LYS A 103 33.242 0.088 -1.739 1.00 74.21 C ATOM 1630 CE LYS A 103 34.527 0.173 -2.548 1.00 20.33 C ATOM 1631 NZ LYS A 103 35.727 -0.114 -1.714 1.00 31.13 N ATOM 0 H LYS A 103 31.864 3.207 -5.002 1.00 12.21 H new ATOM 0 HA LYS A 103 31.589 0.393 -5.235 1.00 22.11 H new ATOM 0 HB2 LYS A 103 32.760 1.893 -3.438 1.00 22.51 H new ATOM 0 HB3 LYS A 103 31.170 2.014 -2.712 1.00 22.51 H new ATOM 0 HG2 LYS A 103 31.137 -0.198 -2.049 1.00 4.11 H new ATOM 0 HG3 LYS A 103 32.136 -0.735 -3.385 1.00 4.11 H new ATOM 0 HD2 LYS A 103 33.176 0.944 -1.068 1.00 74.21 H new ATOM 0 HD3 LYS A 103 33.262 -0.805 -1.115 1.00 74.21 H new ATOM 0 HE2 LYS A 103 34.482 -0.535 -3.376 1.00 20.33 H new ATOM 0 HE3 LYS A 103 34.617 1.168 -2.984 1.00 20.33 H new ATOM 0 HZ1 LYS A 103 36.582 -0.046 -2.302 1.00 31.13 H new ATOM 0 HZ2 LYS A 103 35.784 0.577 -0.938 1.00 31.13 H new ATOM 0 HZ3 LYS A 103 35.654 -1.073 -1.319 1.00 31.13 H new ATOM 1645 N LEU A 104 28.881 2.076 -4.833 1.00 53.22 N ATOM 1646 CA LEU A 104 27.428 1.994 -4.733 1.00 74.35 C ATOM 1647 C LEU A 104 26.886 0.862 -5.601 1.00 33.02 C ATOM 1648 O LEU A 104 25.953 0.160 -5.211 1.00 15.03 O ATOM 1649 CB LEU A 104 26.792 3.321 -5.151 1.00 71.20 C ATOM 1650 CG LEU A 104 25.319 3.504 -4.784 1.00 11.41 C ATOM 1651 CD1 LEU A 104 25.187 4.239 -3.459 1.00 34.33 C ATOM 1652 CD2 LEU A 104 24.584 4.253 -5.886 1.00 73.11 C ATOM 0 H LEU A 104 29.233 2.992 -5.111 1.00 53.22 H new ATOM 0 HA LEU A 104 27.171 1.787 -3.694 1.00 74.35 H new ATOM 0 HB2 LEU A 104 27.362 4.133 -4.699 1.00 71.20 H new ATOM 0 HB3 LEU A 104 26.892 3.425 -6.231 1.00 71.20 H new ATOM 0 HG LEU A 104 24.866 2.519 -4.677 1.00 11.41 H new ATOM 0 HD11 LEU A 104 24.132 4.360 -3.214 1.00 34.33 H new ATOM 0 HD12 LEU A 104 25.678 3.665 -2.674 1.00 34.33 H new ATOM 0 HD13 LEU A 104 25.656 5.220 -3.539 1.00 34.33 H new ATOM 0 HD21 LEU A 104 23.537 4.374 -5.608 1.00 73.11 H new ATOM 0 HD22 LEU A 104 25.038 5.234 -6.025 1.00 73.11 H new ATOM 0 HD23 LEU A 104 24.649 3.688 -6.816 1.00 73.11 H new ATOM 1664 N ARG A 105 27.478 0.690 -6.778 1.00 24.53 N ATOM 1665 CA ARG A 105 27.056 -0.358 -7.700 1.00 12.32 C ATOM 1666 C ARG A 105 27.074 -1.723 -7.018 1.00 2.42 C ATOM 1667 O ARG A 105 26.157 -2.525 -7.190 1.00 4.10 O ATOM 1668 CB ARG A 105 27.963 -0.379 -8.931 1.00 50.24 C ATOM 1669 CG ARG A 105 28.037 0.955 -9.656 1.00 43.21 C ATOM 1670 CD ARG A 105 29.233 1.014 -10.594 1.00 72.21 C ATOM 1671 NE ARG A 105 29.859 2.333 -10.601 1.00 23.04 N ATOM 1672 CZ ARG A 105 29.404 3.359 -11.310 1.00 51.34 C ATOM 1673 NH1 ARG A 105 28.324 3.219 -12.067 1.00 10.43 N ATOM 1674 NH2 ARG A 105 30.029 4.529 -11.264 1.00 71.10 N ATOM 0 H ARG A 105 28.251 1.263 -7.116 1.00 24.53 H new ATOM 0 HA ARG A 105 26.035 -0.142 -8.013 1.00 12.32 H new ATOM 0 HB2 ARG A 105 28.967 -0.674 -8.627 1.00 50.24 H new ATOM 0 HB3 ARG A 105 27.604 -1.140 -9.624 1.00 50.24 H new ATOM 0 HG2 ARG A 105 27.120 1.113 -10.224 1.00 43.21 H new ATOM 0 HG3 ARG A 105 28.104 1.763 -8.928 1.00 43.21 H new ATOM 0 HD2 ARG A 105 29.967 0.266 -10.293 1.00 72.21 H new ATOM 0 HD3 ARG A 105 28.914 0.759 -11.605 1.00 72.21 H new ATOM 0 HE ARG A 105 30.692 2.474 -10.030 1.00 23.04 H new ATOM 0 HH11 ARG A 105 27.841 2.321 -12.105 1.00 10.43 H new ATOM 0 HH12 ARG A 105 27.976 4.009 -12.611 1.00 10.43 H new ATOM 0 HH21 ARG A 105 30.860 4.641 -10.683 1.00 71.10 H new ATOM 0 HH22 ARG A 105 29.678 5.316 -11.809 1.00 71.10 H new ATOM 1688 N GLU A 106 28.125 -1.978 -6.244 1.00 52.31 N ATOM 1689 CA GLU A 106 28.262 -3.246 -5.538 1.00 23.02 C ATOM 1690 C GLU A 106 27.364 -3.282 -4.305 1.00 23.24 C ATOM 1691 O GLU A 106 26.817 -4.327 -3.950 1.00 63.24 O ATOM 1692 CB GLU A 106 29.719 -3.472 -5.128 1.00 42.32 C ATOM 1693 CG GLU A 106 30.724 -2.995 -6.164 1.00 75.31 C ATOM 1694 CD GLU A 106 30.425 -3.525 -7.553 1.00 54.21 C ATOM 1695 OE1 GLU A 106 29.981 -4.687 -7.661 1.00 61.34 O ATOM 1696 OE2 GLU A 106 30.634 -2.778 -8.531 1.00 40.44 O ATOM 0 H GLU A 106 28.893 -1.324 -6.091 1.00 52.31 H new ATOM 0 HA GLU A 106 27.954 -4.044 -6.214 1.00 23.02 H new ATOM 0 HB2 GLU A 106 29.907 -2.955 -4.187 1.00 42.32 H new ATOM 0 HB3 GLU A 106 29.875 -4.535 -4.945 1.00 42.32 H new ATOM 0 HG2 GLU A 106 30.727 -1.905 -6.188 1.00 75.31 H new ATOM 0 HG3 GLU A 106 31.724 -3.310 -5.866 1.00 75.31 H new ATOM 1703 N THR A 107 27.217 -2.133 -3.653 1.00 0.31 N ATOM 1704 CA THR A 107 26.388 -2.032 -2.459 1.00 12.03 C ATOM 1705 C THR A 107 24.931 -2.353 -2.772 1.00 70.32 C ATOM 1706 O THR A 107 24.253 -3.028 -1.997 1.00 33.52 O ATOM 1707 CB THR A 107 26.469 -0.626 -1.836 1.00 12.45 C ATOM 1708 OG1 THR A 107 27.752 -0.047 -2.098 1.00 1.15 O ATOM 1709 CG2 THR A 107 26.230 -0.684 -0.334 1.00 63.53 C ATOM 0 H THR A 107 27.662 -1.259 -3.932 1.00 0.31 H new ATOM 0 HA THR A 107 26.773 -2.761 -1.745 1.00 12.03 H new ATOM 0 HB THR A 107 25.693 -0.008 -2.287 1.00 12.45 H new ATOM 0 HG1 THR A 107 27.894 0.008 -3.066 1.00 1.15 H new ATOM 0 HG21 THR A 107 26.292 0.321 0.083 1.00 63.53 H new ATOM 0 HG22 THR A 107 25.241 -1.097 -0.139 1.00 63.53 H new ATOM 0 HG23 THR A 107 26.986 -1.317 0.131 1.00 63.53 H new ATOM 1717 N LEU A 108 24.455 -1.867 -3.913 1.00 41.30 N ATOM 1718 CA LEU A 108 23.077 -2.103 -4.330 1.00 23.10 C ATOM 1719 C LEU A 108 22.950 -3.437 -5.059 1.00 21.03 C ATOM 1720 O LEU A 108 21.874 -4.035 -5.097 1.00 44.42 O ATOM 1721 CB LEU A 108 22.595 -0.967 -5.234 1.00 22.11 C ATOM 1722 CG LEU A 108 22.719 -1.208 -6.739 1.00 22.12 C ATOM 1723 CD1 LEU A 108 21.468 -1.886 -7.276 1.00 0.33 C ATOM 1724 CD2 LEU A 108 22.974 0.102 -7.470 1.00 14.24 C ATOM 0 H LEU A 108 25.003 -1.307 -4.566 1.00 41.30 H new ATOM 0 HA LEU A 108 22.454 -2.137 -3.436 1.00 23.10 H new ATOM 0 HB2 LEU A 108 21.549 -0.765 -5.004 1.00 22.11 H new ATOM 0 HB3 LEU A 108 23.156 -0.067 -4.983 1.00 22.11 H new ATOM 0 HG LEU A 108 23.568 -1.869 -6.913 1.00 22.12 H new ATOM 0 HD11 LEU A 108 21.575 -2.049 -8.348 1.00 0.33 H new ATOM 0 HD12 LEU A 108 21.330 -2.844 -6.775 1.00 0.33 H new ATOM 0 HD13 LEU A 108 20.602 -1.251 -7.090 1.00 0.33 H new ATOM 0 HD21 LEU A 108 23.059 -0.089 -8.540 1.00 14.24 H new ATOM 0 HD22 LEU A 108 22.146 0.787 -7.289 1.00 14.24 H new ATOM 0 HD23 LEU A 108 23.900 0.548 -7.106 1.00 14.24 H new ATOM 1736 N ASP A 109 24.055 -3.899 -5.633 1.00 41.24 N ATOM 1737 CA ASP A 109 24.068 -5.164 -6.358 1.00 64.23 C ATOM 1738 C ASP A 109 23.897 -6.340 -5.402 1.00 30.22 C ATOM 1739 O ASP A 109 23.006 -7.170 -5.578 1.00 15.13 O ATOM 1740 CB ASP A 109 25.373 -5.314 -7.142 1.00 5.13 C ATOM 1741 CG ASP A 109 25.792 -6.763 -7.297 1.00 45.40 C ATOM 1742 OD1 ASP A 109 26.634 -7.226 -6.499 1.00 32.23 O ATOM 1743 OD2 ASP A 109 25.278 -7.433 -8.216 1.00 65.13 O ATOM 0 H ASP A 109 24.953 -3.417 -5.610 1.00 41.24 H new ATOM 0 HA ASP A 109 23.231 -5.162 -7.057 1.00 64.23 H new ATOM 0 HB2 ASP A 109 25.254 -4.866 -8.128 1.00 5.13 H new ATOM 0 HB3 ASP A 109 26.164 -4.762 -6.634 1.00 5.13 H new ATOM 1748 N GLU A 110 24.758 -6.405 -4.391 1.00 13.42 N ATOM 1749 CA GLU A 110 24.702 -7.481 -3.408 1.00 53.51 C ATOM 1750 C GLU A 110 23.336 -7.526 -2.729 1.00 30.41 C ATOM 1751 O GLU A 110 22.922 -8.565 -2.212 1.00 14.22 O ATOM 1752 CB GLU A 110 25.800 -7.300 -2.358 1.00 51.11 C ATOM 1753 CG GLU A 110 27.201 -7.259 -2.944 1.00 23.41 C ATOM 1754 CD GLU A 110 27.670 -8.617 -3.430 1.00 20.22 C ATOM 1755 OE1 GLU A 110 28.092 -8.714 -4.601 1.00 71.24 O ATOM 1756 OE2 GLU A 110 27.615 -9.582 -2.639 1.00 72.35 O ATOM 0 H GLU A 110 25.502 -5.726 -4.231 1.00 13.42 H new ATOM 0 HA GLU A 110 24.861 -8.425 -3.930 1.00 53.51 H new ATOM 0 HB2 GLU A 110 25.618 -6.376 -1.809 1.00 51.11 H new ATOM 0 HB3 GLU A 110 25.740 -8.116 -1.638 1.00 51.11 H new ATOM 0 HG2 GLU A 110 27.223 -6.553 -3.774 1.00 23.41 H new ATOM 0 HG3 GLU A 110 27.895 -6.887 -2.190 1.00 23.41 H new ATOM 1763 N LEU A 111 22.641 -6.394 -2.733 1.00 64.14 N ATOM 1764 CA LEU A 111 21.322 -6.303 -2.117 1.00 61.35 C ATOM 1765 C LEU A 111 20.226 -6.628 -3.128 1.00 1.05 C ATOM 1766 O LEU A 111 19.089 -6.918 -2.754 1.00 32.21 O ATOM 1767 CB LEU A 111 21.102 -4.904 -1.541 1.00 52.41 C ATOM 1768 CG LEU A 111 19.648 -4.502 -1.289 1.00 71.55 C ATOM 1769 CD1 LEU A 111 19.551 -3.573 -0.090 1.00 35.24 C ATOM 1770 CD2 LEU A 111 19.055 -3.844 -2.526 1.00 52.53 C ATOM 0 H LEU A 111 22.969 -5.526 -3.156 1.00 64.14 H new ATOM 0 HA LEU A 111 21.274 -7.033 -1.309 1.00 61.35 H new ATOM 0 HB2 LEU A 111 21.646 -4.831 -0.600 1.00 52.41 H new ATOM 0 HB3 LEU A 111 21.546 -4.178 -2.223 1.00 52.41 H new ATOM 0 HG LEU A 111 19.074 -5.403 -1.071 1.00 71.55 H new ATOM 0 HD11 LEU A 111 18.509 -3.298 0.074 1.00 35.24 H new ATOM 0 HD12 LEU A 111 19.936 -4.080 0.795 1.00 35.24 H new ATOM 0 HD13 LEU A 111 20.138 -2.674 -0.278 1.00 35.24 H new ATOM 0 HD21 LEU A 111 18.020 -3.565 -2.329 1.00 52.53 H new ATOM 0 HD22 LEU A 111 19.630 -2.952 -2.775 1.00 52.53 H new ATOM 0 HD23 LEU A 111 19.089 -4.543 -3.362 1.00 52.53 H new ATOM 1782 N LEU A 112 20.576 -6.579 -4.408 1.00 72.21 N ATOM 1783 CA LEU A 112 19.622 -6.870 -5.473 1.00 65.52 C ATOM 1784 C LEU A 112 19.476 -8.375 -5.676 1.00 74.11 C ATOM 1785 O LEU A 112 18.374 -8.917 -5.596 1.00 71.52 O ATOM 1786 CB LEU A 112 20.068 -6.209 -6.779 1.00 25.44 C ATOM 1787 CG LEU A 112 18.951 -5.779 -7.729 1.00 73.32 C ATOM 1788 CD1 LEU A 112 17.954 -6.911 -7.928 1.00 11.55 C ATOM 1789 CD2 LEU A 112 18.251 -4.536 -7.201 1.00 53.42 C ATOM 0 H LEU A 112 21.513 -6.341 -4.734 1.00 72.21 H new ATOM 0 HA LEU A 112 18.653 -6.465 -5.180 1.00 65.52 H new ATOM 0 HB2 LEU A 112 20.666 -5.332 -6.533 1.00 25.44 H new ATOM 0 HB3 LEU A 112 20.722 -6.902 -7.309 1.00 25.44 H new ATOM 0 HG LEU A 112 19.394 -5.539 -8.695 1.00 73.32 H new ATOM 0 HD11 LEU A 112 17.166 -6.586 -8.607 1.00 11.55 H new ATOM 0 HD12 LEU A 112 18.465 -7.776 -8.352 1.00 11.55 H new ATOM 0 HD13 LEU A 112 17.516 -7.183 -6.968 1.00 11.55 H new ATOM 0 HD21 LEU A 112 17.459 -4.244 -7.890 1.00 53.42 H new ATOM 0 HD22 LEU A 112 17.821 -4.749 -6.222 1.00 53.42 H new ATOM 0 HD23 LEU A 112 18.972 -3.723 -7.111 1.00 53.42 H new ATOM 1801 N ALA A 113 20.594 -9.044 -5.937 1.00 2.32 N ATOM 1802 CA ALA A 113 20.591 -10.486 -6.147 1.00 34.24 C ATOM 1803 C ALA A 113 19.920 -11.209 -4.983 1.00 40.51 C ATOM 1804 O ALA A 113 19.315 -12.266 -5.162 1.00 44.12 O ATOM 1805 CB ALA A 113 22.012 -10.995 -6.338 1.00 34.20 C ATOM 0 H ALA A 113 21.514 -8.610 -6.008 1.00 2.32 H new ATOM 0 HA ALA A 113 20.018 -10.695 -7.050 1.00 34.24 H new ATOM 0 HB1 ALA A 113 21.994 -12.074 -6.494 1.00 34.20 H new ATOM 0 HB2 ALA A 113 22.458 -10.510 -7.206 1.00 34.20 H new ATOM 0 HB3 ALA A 113 22.603 -10.766 -5.451 1.00 34.20 H new ATOM 1811 N ARG A 114 20.032 -10.632 -3.791 1.00 53.51 N ATOM 1812 CA ARG A 114 19.438 -11.222 -2.598 1.00 14.12 C ATOM 1813 C ARG A 114 17.956 -11.513 -2.815 1.00 55.24 C ATOM 1814 O ARG A 114 17.503 -12.647 -2.649 1.00 44.52 O ATOM 1815 CB ARG A 114 19.614 -10.288 -1.399 1.00 24.42 C ATOM 1816 CG ARG A 114 19.054 -10.850 -0.102 1.00 45.21 C ATOM 1817 CD ARG A 114 18.875 -9.761 0.945 1.00 63.43 C ATOM 1818 NE ARG A 114 19.333 -10.190 2.264 1.00 52.12 N ATOM 1819 CZ ARG A 114 18.617 -10.960 3.075 1.00 31.34 C ATOM 1820 NH1 ARG A 114 17.417 -11.385 2.704 1.00 11.35 N ATOM 1821 NH2 ARG A 114 19.102 -11.308 4.261 1.00 74.04 N ATOM 0 H ARG A 114 20.529 -9.757 -3.626 1.00 53.51 H new ATOM 0 HA ARG A 114 19.950 -12.163 -2.396 1.00 14.12 H new ATOM 0 HB2 ARG A 114 20.675 -10.078 -1.266 1.00 24.42 H new ATOM 0 HB3 ARG A 114 19.125 -9.338 -1.614 1.00 24.42 H new ATOM 0 HG2 ARG A 114 18.095 -11.331 -0.296 1.00 45.21 H new ATOM 0 HG3 ARG A 114 19.724 -11.619 0.282 1.00 45.21 H new ATOM 0 HD2 ARG A 114 19.427 -8.872 0.641 1.00 63.43 H new ATOM 0 HD3 ARG A 114 17.823 -9.480 1.000 1.00 63.43 H new ATOM 0 HE ARG A 114 20.253 -9.881 2.579 1.00 52.12 H new ATOM 0 HH11 ARG A 114 17.041 -11.121 1.793 1.00 11.35 H new ATOM 0 HH12 ARG A 114 16.870 -11.976 3.329 1.00 11.35 H new ATOM 0 HH21 ARG A 114 20.025 -10.984 4.550 1.00 74.04 H new ATOM 0 HH22 ARG A 114 18.552 -11.899 4.884 1.00 74.04 H new ATOM 1835 N LEU A 115 17.204 -10.482 -3.187 1.00 62.32 N ATOM 1836 CA LEU A 115 15.773 -10.627 -3.427 1.00 55.53 C ATOM 1837 C LEU A 115 15.511 -11.288 -4.776 1.00 75.15 C ATOM 1838 O LEU A 115 14.929 -12.370 -4.845 1.00 22.42 O ATOM 1839 CB LEU A 115 15.086 -9.260 -3.375 1.00 24.45 C ATOM 1840 CG LEU A 115 13.570 -9.278 -3.181 1.00 13.00 C ATOM 1841 CD1 LEU A 115 13.214 -9.008 -1.727 1.00 60.42 C ATOM 1842 CD2 LEU A 115 12.904 -8.258 -4.093 1.00 12.11 C ATOM 0 H LEU A 115 17.562 -9.537 -3.329 1.00 62.32 H new ATOM 0 HA LEU A 115 15.362 -11.265 -2.644 1.00 55.53 H new ATOM 0 HB2 LEU A 115 15.529 -8.684 -2.563 1.00 24.45 H new ATOM 0 HB3 LEU A 115 15.307 -8.729 -4.301 1.00 24.45 H new ATOM 0 HG LEU A 115 13.201 -10.269 -3.446 1.00 13.00 H new ATOM 0 HD11 LEU A 115 12.131 -9.025 -1.609 1.00 60.42 H new ATOM 0 HD12 LEU A 115 13.660 -9.776 -1.095 1.00 60.42 H new ATOM 0 HD13 LEU A 115 13.596 -8.030 -1.435 1.00 60.42 H new ATOM 0 HD21 LEU A 115 11.825 -8.284 -3.942 1.00 12.11 H new ATOM 0 HD22 LEU A 115 13.279 -7.262 -3.859 1.00 12.11 H new ATOM 0 HD23 LEU A 115 13.131 -8.496 -5.132 1.00 12.11 H new ATOM 1854 N GLU A 116 15.946 -10.630 -5.847 1.00 34.42 N ATOM 1855 CA GLU A 116 15.759 -11.156 -7.194 1.00 32.41 C ATOM 1856 C GLU A 116 16.575 -12.430 -7.399 1.00 14.42 C ATOM 1857 O GLU A 116 16.039 -13.464 -7.796 1.00 45.14 O ATOM 1858 CB GLU A 116 16.159 -10.108 -8.235 1.00 34.44 C ATOM 1859 CG GLU A 116 15.079 -9.073 -8.501 1.00 42.23 C ATOM 1860 CD GLU A 116 14.101 -9.513 -9.573 1.00 15.13 C ATOM 1861 OE1 GLU A 116 14.029 -10.729 -9.846 1.00 61.45 O ATOM 1862 OE2 GLU A 116 13.407 -8.642 -10.137 1.00 54.23 O ATOM 0 H GLU A 116 16.430 -9.733 -5.808 1.00 34.42 H new ATOM 0 HA GLU A 116 14.703 -11.397 -7.319 1.00 32.41 H new ATOM 0 HB2 GLU A 116 17.063 -9.600 -7.898 1.00 34.44 H new ATOM 0 HB3 GLU A 116 16.406 -10.612 -9.169 1.00 34.44 H new ATOM 0 HG2 GLU A 116 14.535 -8.875 -7.577 1.00 42.23 H new ATOM 0 HG3 GLU A 116 15.546 -8.135 -8.803 1.00 42.23 H new TER 1869 GLU A 116