USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 973 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 146 THR OG1 : rot -91:sc= 0.874 USER MOD Set 1.2: A 147 HIS :FLIP no HD1:sc= -0.962 F(o=-1.5!,f=-0.087) USER MOD Set 2.1: A 136 ASN : amide:sc= -2.39! C(o=-2.4!,f=-5.3!) USER MOD Set 2.2: A 139 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 131 SER OG : rot 180:sc= -0.166 USER MOD Set 3.2: A 133 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 118 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00755) USER MOD Set 4.2: A 129 THR OG1 : rot 160:sc= -3.67 USER MOD Set 5.1: A 56 HIS : no HD1:sc= -0.0235 X(o=-0.051,f=-0.079) USER MOD Set 5.2: A 58 HIS :FLIP no HD1:sc= -0.0272 X(o=-0.079,f=-0.051) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.0341 F(o=-0.59,f=-0.034) USER MOD Single : A 59 HIS : no HD1:sc= -0.865 K(o=-0.87,f=-1.5) USER MOD Single : A 60 HIS : no HD1:sc= -0.572 X(o=-0.57,f=-0.19) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -4.03! C(o=-4!,f=-14!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -2:sc= 0.679 USER MOD Single : A 83 LYS NZ :NH3+ 178:sc= 0.172 (180deg=-0.0397) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.742 USER MOD Single : A 89 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.67) USER MOD Single : A 91 GLN : amide:sc= -2.12! C(o=-2.1!,f=-4.6!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 96 SER OG : rot 170:sc= -3.8! USER MOD Single : A 101 LYS NZ :NH3+ 137:sc= -0.416 (180deg=-0.939) USER MOD Single : A 104 ASN :FLIP amide:sc= -1.26 F(o=-2.3,f=-1.3) USER MOD Single : A 106 GLN : amide:sc= 0.00617 X(o=0.0062,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 162:sc= -0.0147 (180deg=-0.407) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.021) USER MOD Single : A 127 GLN : amide:sc= -6.02! C(o=-6!,f=-11!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.0877 USER MOD Single : A 150 LYS NZ :NH3+ 160:sc= -0.12 (180deg=-0.647) USER MOD Single : A 155 LYS NZ :NH3+ 164:sc= -0.0745 (180deg=-0.354) USER MOD Single : A 156 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.25) USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 68:sc= 0.0789 USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 176 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 53 19.883 18.689 -15.722 1.00 24.91 N ATOM 2 CA MET A 53 21.148 18.352 -16.426 1.00 24.49 C ATOM 3 C MET A 53 21.092 16.950 -17.027 1.00 23.92 C ATOM 4 O MET A 53 21.834 16.634 -17.958 1.00 23.92 O ATOM 5 CB MET A 53 22.331 18.453 -15.459 1.00 24.88 C ATOM 6 CG MET A 53 23.653 18.009 -16.066 1.00 25.18 C ATOM 7 SD MET A 53 24.110 18.975 -17.517 1.00 25.68 S ATOM 8 CE MET A 53 25.619 18.148 -18.012 1.00 26.02 C ATOM 0 HA MET A 53 21.280 19.067 -17.238 1.00 24.49 H new ATOM 0 HB2 MET A 53 22.425 19.484 -15.119 1.00 24.88 H new ATOM 0 HB3 MET A 53 22.123 17.845 -14.578 1.00 24.88 H new ATOM 0 HG2 MET A 53 24.439 18.093 -15.316 1.00 25.18 H new ATOM 0 HG3 MET A 53 23.587 16.956 -16.341 1.00 25.18 H new ATOM 0 HE1 MET A 53 26.025 18.632 -18.900 1.00 26.02 H new ATOM 0 HE2 MET A 53 26.347 18.205 -17.203 1.00 26.02 H new ATOM 0 HE3 MET A 53 25.405 17.103 -18.234 1.00 26.02 H new ATOM 20 N ALA A 54 20.209 16.109 -16.494 1.00 23.54 N ATOM 21 CA ALA A 54 20.065 14.744 -16.982 1.00 23.07 C ATOM 22 C ALA A 54 19.103 14.679 -18.164 1.00 22.89 C ATOM 23 O ALA A 54 19.378 14.016 -19.164 1.00 22.69 O ATOM 24 CB ALA A 54 19.592 13.830 -15.861 1.00 22.96 C ATOM 0 H ALA A 54 19.584 16.350 -15.725 1.00 23.54 H new ATOM 0 HA ALA A 54 21.042 14.403 -17.326 1.00 23.07 H new ATOM 0 HB1 ALA A 54 19.489 12.813 -16.240 1.00 22.96 H new ATOM 0 HB2 ALA A 54 20.320 13.843 -15.050 1.00 22.96 H new ATOM 0 HB3 ALA A 54 18.628 14.178 -15.490 1.00 22.96 H new ATOM 30 N SER A 55 17.975 15.372 -18.045 1.00 23.07 N ATOM 31 CA SER A 55 16.975 15.387 -19.106 1.00 23.05 C ATOM 32 C SER A 55 16.728 16.808 -19.604 1.00 23.06 C ATOM 33 O SER A 55 17.173 17.182 -20.690 1.00 23.40 O ATOM 34 CB SER A 55 15.664 14.774 -18.611 1.00 23.13 C ATOM 35 OG SER A 55 15.849 13.427 -18.212 1.00 23.12 O ATOM 0 H SER A 55 17.731 15.929 -17.226 1.00 23.07 H new ATOM 0 HA SER A 55 17.356 14.792 -19.936 1.00 23.05 H new ATOM 0 HB2 SER A 55 15.281 15.356 -17.772 1.00 23.13 H new ATOM 0 HB3 SER A 55 14.915 14.823 -19.401 1.00 23.13 H new ATOM 0 HG SER A 55 14.997 13.059 -17.898 1.00 23.12 H new ATOM 41 N HIS A 56 16.018 17.595 -18.803 1.00 22.80 N ATOM 42 CA HIS A 56 15.714 18.976 -19.163 1.00 22.91 C ATOM 43 C HIS A 56 15.278 19.777 -17.939 1.00 22.44 C ATOM 44 O HIS A 56 14.091 19.844 -17.621 1.00 22.49 O ATOM 45 CB HIS A 56 14.620 19.016 -20.232 1.00 23.53 C ATOM 46 CG HIS A 56 14.273 20.402 -20.681 1.00 23.75 C ATOM 47 ND1 HIS A 56 13.113 21.055 -20.329 1.00 24.10 N ATOM 48 CD2 HIS A 56 14.961 21.261 -21.475 1.00 23.75 C ATOM 49 CE1 HIS A 56 13.131 22.264 -20.906 1.00 24.30 C ATOM 50 NE2 HIS A 56 14.232 22.440 -21.613 1.00 24.11 N ATOM 0 H HIS A 56 15.642 17.301 -17.901 1.00 22.80 H new ATOM 0 HA HIS A 56 16.621 19.429 -19.564 1.00 22.91 H new ATOM 0 HB2 HIS A 56 14.945 18.434 -21.095 1.00 23.53 H new ATOM 0 HB3 HIS A 56 13.724 18.534 -19.841 1.00 23.53 H new ATOM 0 HD2 HIS A 56 15.921 21.062 -21.928 1.00 23.75 H new ATOM 0 HE1 HIS A 56 12.346 22.999 -20.806 1.00 24.30 H new ATOM 0 HE2 HIS A 56 14.494 23.267 -22.149 1.00 24.11 H new ATOM 58 N HIS A 57 16.246 20.381 -17.259 1.00 22.09 N ATOM 59 CA HIS A 57 15.965 21.181 -16.072 1.00 21.74 C ATOM 60 C HIS A 57 16.774 22.475 -16.083 1.00 21.30 C ATOM 61 O HIS A 57 17.998 22.455 -15.962 1.00 21.32 O ATOM 62 CB HIS A 57 16.278 20.381 -14.807 1.00 21.85 C ATOM 63 CG HIS A 57 15.378 19.201 -14.605 1.00 22.13 C ATOM 64 ND1 HIS A 57 15.326 18.017 -15.266 1.00 22.32 N flip ATOM 65 CD2 HIS A 57 14.392 19.144 -13.645 1.00 22.36 C flip ATOM 66 CE1 HIS A 57 14.315 17.232 -14.718 1.00 22.67 C flip ATOM 67 NE2 HIS A 57 13.786 17.954 -13.749 1.00 22.70 N flip ATOM 0 H HIS A 57 17.234 20.332 -17.510 1.00 22.09 H new ATOM 0 HA HIS A 57 14.905 21.437 -16.079 1.00 21.74 H new ATOM 0 HB2 HIS A 57 17.311 20.036 -14.852 1.00 21.85 H new ATOM 0 HB3 HIS A 57 16.199 21.040 -13.942 1.00 21.85 H new ATOM 0 HD2 HIS A 57 14.150 19.921 -12.935 1.00 22.36 H new ATOM 0 HE1 HIS A 57 14.024 16.238 -15.023 1.00 22.67 H new ATOM 0 HE2 HIS A 57 13.015 17.646 -13.156 1.00 22.70 H new ATOM 75 N HIS A 58 16.078 23.599 -16.229 1.00 21.02 N ATOM 76 CA HIS A 58 16.726 24.904 -16.259 1.00 20.71 C ATOM 77 C HIS A 58 17.256 25.285 -14.879 1.00 20.26 C ATOM 78 O HIS A 58 18.466 25.316 -14.656 1.00 20.17 O ATOM 79 CB HIS A 58 15.749 25.973 -16.752 1.00 20.86 C ATOM 80 CG HIS A 58 15.207 25.705 -18.123 1.00 21.10 C ATOM 81 ND1 HIS A 58 15.808 25.799 -19.336 1.00 21.53 N flip ATOM 82 CD2 HIS A 58 13.914 25.301 -18.371 1.00 21.06 C flip ATOM 83 CE1 HIS A 58 14.894 25.454 -20.327 1.00 21.74 C flip ATOM 84 NE2 HIS A 58 13.773 25.163 -19.695 1.00 21.47 N flip ATOM 0 H HIS A 58 15.063 23.631 -16.328 1.00 21.02 H new ATOM 0 HA HIS A 58 17.568 24.843 -16.948 1.00 20.71 H new ATOM 0 HB2 HIS A 58 14.918 26.045 -16.050 1.00 20.86 H new ATOM 0 HB3 HIS A 58 16.252 26.940 -16.752 1.00 20.86 H new ATOM 0 HD2 HIS A 58 13.149 25.126 -17.629 1.00 21.06 H new ATOM 0 HE1 HIS A 58 15.067 25.430 -21.393 1.00 21.74 H new ATOM 0 HE2 HIS A 58 12.911 24.871 -20.155 1.00 21.47 H new ATOM 92 N HIS A 59 16.343 25.576 -13.958 1.00 20.09 N ATOM 93 CA HIS A 59 16.721 25.958 -12.602 1.00 19.79 C ATOM 94 C HIS A 59 15.729 25.400 -11.585 1.00 19.14 C ATOM 95 O HIS A 59 14.646 25.952 -11.392 1.00 19.37 O ATOM 96 CB HIS A 59 16.794 27.480 -12.482 1.00 20.49 C ATOM 97 CG HIS A 59 15.482 28.164 -12.715 1.00 20.85 C ATOM 98 ND1 HIS A 59 14.698 28.680 -11.709 1.00 21.32 N ATOM 99 CD2 HIS A 59 14.820 28.415 -13.873 1.00 20.93 C ATOM 100 CE1 HIS A 59 13.607 29.217 -12.273 1.00 21.65 C ATOM 101 NE2 HIS A 59 13.632 29.083 -13.584 1.00 21.44 N ATOM 0 H HIS A 59 15.337 25.555 -14.126 1.00 20.09 H new ATOM 0 HA HIS A 59 17.704 25.538 -12.391 1.00 19.79 H new ATOM 0 HB2 HIS A 59 17.159 27.741 -11.488 1.00 20.49 H new ATOM 0 HB3 HIS A 59 17.523 27.858 -13.198 1.00 20.49 H new ATOM 0 HD2 HIS A 59 15.160 28.141 -14.861 1.00 20.93 H new ATOM 0 HE1 HIS A 59 12.810 29.697 -11.724 1.00 21.65 H new ATOM 0 HE2 HIS A 59 12.928 29.402 -14.249 1.00 21.44 H new ATOM 109 N HIS A 60 16.107 24.304 -10.937 1.00 18.42 N ATOM 110 CA HIS A 60 15.251 23.670 -9.940 1.00 17.86 C ATOM 111 C HIS A 60 16.080 23.121 -8.782 1.00 17.05 C ATOM 112 O HIS A 60 15.981 21.942 -8.439 1.00 16.89 O ATOM 113 CB HIS A 60 14.437 22.543 -10.577 1.00 18.20 C ATOM 114 CG HIS A 60 13.527 23.005 -11.673 1.00 18.60 C ATOM 115 ND1 HIS A 60 12.182 23.253 -11.503 1.00 18.99 N ATOM 116 CD2 HIS A 60 13.792 23.264 -12.979 1.00 18.81 C ATOM 117 CE1 HIS A 60 11.683 23.644 -12.683 1.00 19.40 C ATOM 118 NE2 HIS A 60 12.620 23.668 -13.613 1.00 19.32 N ATOM 0 H HIS A 60 17.001 23.835 -11.084 1.00 18.42 H new ATOM 0 HA HIS A 60 14.569 24.426 -9.551 1.00 17.86 H new ATOM 0 HB2 HIS A 60 15.120 21.793 -10.976 1.00 18.20 H new ATOM 0 HB3 HIS A 60 13.843 22.054 -9.805 1.00 18.20 H new ATOM 0 HD2 HIS A 60 14.759 23.171 -13.451 1.00 18.81 H new ATOM 0 HE1 HIS A 60 10.649 23.906 -12.852 1.00 19.40 H new ATOM 0 HE2 HIS A 60 12.508 23.929 -14.593 1.00 19.32 H new ATOM 126 N HIS A 61 16.897 23.982 -8.183 1.00 16.68 N ATOM 127 CA HIS A 61 17.744 23.582 -7.063 1.00 16.03 C ATOM 128 C HIS A 61 18.793 22.567 -7.509 1.00 15.50 C ATOM 129 O HIS A 61 19.973 22.895 -7.627 1.00 15.70 O ATOM 130 CB HIS A 61 16.892 22.997 -5.935 1.00 16.11 C ATOM 131 CG HIS A 61 15.862 23.947 -5.410 1.00 16.10 C ATOM 132 ND1 HIS A 61 14.517 23.849 -5.686 1.00 16.22 N ATOM 133 CD2 HIS A 61 16.001 25.032 -4.605 1.00 16.16 C ATOM 134 CE1 HIS A 61 13.894 24.855 -5.057 1.00 16.34 C ATOM 135 NE2 HIS A 61 14.750 25.601 -4.386 1.00 16.32 N ATOM 0 H HIS A 61 16.991 24.961 -8.454 1.00 16.68 H new ATOM 0 HA HIS A 61 18.260 24.469 -6.694 1.00 16.03 H new ATOM 0 HB2 HIS A 61 16.394 22.097 -6.296 1.00 16.11 H new ATOM 0 HB3 HIS A 61 17.545 22.694 -5.117 1.00 16.11 H new ATOM 0 HD2 HIS A 61 16.934 25.395 -4.199 1.00 16.16 H new ATOM 0 HE1 HIS A 61 12.829 25.032 -5.095 1.00 16.34 H new ATOM 0 HE2 HIS A 61 14.539 26.425 -3.823 1.00 16.32 H new ATOM 143 N LEU A 62 18.357 21.335 -7.755 1.00 14.99 N ATOM 144 CA LEU A 62 19.266 20.278 -8.187 1.00 14.60 C ATOM 145 C LEU A 62 18.509 18.976 -8.438 1.00 13.91 C ATOM 146 O LEU A 62 18.515 18.450 -9.551 1.00 13.93 O ATOM 147 CB LEU A 62 20.358 20.054 -7.140 1.00 14.79 C ATOM 148 CG LEU A 62 21.494 19.127 -7.575 1.00 14.94 C ATOM 149 CD1 LEU A 62 22.147 19.645 -8.848 1.00 14.99 C ATOM 150 CD2 LEU A 62 22.524 18.988 -6.463 1.00 15.13 C ATOM 0 H LEU A 62 17.384 21.045 -7.663 1.00 14.99 H new ATOM 0 HA LEU A 62 19.729 20.593 -9.122 1.00 14.60 H new ATOM 0 HB2 LEU A 62 20.783 21.020 -6.868 1.00 14.79 H new ATOM 0 HB3 LEU A 62 19.899 19.643 -6.241 1.00 14.79 H new ATOM 0 HG LEU A 62 21.076 18.142 -7.781 1.00 14.94 H new ATOM 0 HD11 LEU A 62 22.953 18.973 -9.143 1.00 14.99 H new ATOM 0 HD12 LEU A 62 21.404 19.692 -9.645 1.00 14.99 H new ATOM 0 HD13 LEU A 62 22.552 20.641 -8.670 1.00 14.99 H new ATOM 0 HD21 LEU A 62 23.325 18.325 -6.790 1.00 15.13 H new ATOM 0 HD22 LEU A 62 22.938 19.968 -6.226 1.00 15.13 H new ATOM 0 HD23 LEU A 62 22.047 18.571 -5.576 1.00 15.13 H new ATOM 162 N ASP A 63 17.860 18.461 -7.398 1.00 13.47 N ATOM 163 CA ASP A 63 17.101 17.221 -7.510 1.00 12.95 C ATOM 164 C ASP A 63 15.907 17.220 -6.560 1.00 12.15 C ATOM 165 O ASP A 63 15.864 17.995 -5.604 1.00 12.16 O ATOM 166 CB ASP A 63 18.001 16.017 -7.215 1.00 13.16 C ATOM 167 CG ASP A 63 17.288 14.696 -7.424 1.00 13.28 C ATOM 168 OD1 ASP A 63 16.649 14.208 -6.468 1.00 13.56 O ATOM 169 OD2 ASP A 63 17.368 14.149 -8.545 1.00 13.24 O ATOM 0 H ASP A 63 17.845 18.883 -6.469 1.00 13.47 H new ATOM 0 HA ASP A 63 16.728 17.148 -8.532 1.00 12.95 H new ATOM 0 HB2 ASP A 63 18.880 16.058 -7.858 1.00 13.16 H new ATOM 0 HB3 ASP A 63 18.356 16.076 -6.186 1.00 13.16 H new ATOM 174 N GLN A 64 14.940 16.350 -6.827 1.00 11.63 N ATOM 175 CA GLN A 64 13.746 16.254 -5.995 1.00 11.01 C ATOM 176 C GLN A 64 14.120 16.136 -4.519 1.00 9.93 C ATOM 177 O GLN A 64 13.530 16.800 -3.665 1.00 9.78 O ATOM 178 CB GLN A 64 12.902 15.052 -6.418 1.00 11.60 C ATOM 179 CG GLN A 64 11.660 14.848 -5.564 1.00 11.93 C ATOM 180 CD GLN A 64 10.811 13.685 -6.036 1.00 12.54 C ATOM 181 OE1 GLN A 64 9.904 13.854 -6.853 1.00 13.16 O ATOM 182 NE2 GLN A 64 11.100 12.495 -5.525 1.00 12.56 N ATOM 0 H GLN A 64 14.959 15.701 -7.613 1.00 11.63 H new ATOM 0 HA GLN A 64 13.162 17.165 -6.131 1.00 11.01 H new ATOM 0 HB2 GLN A 64 12.601 15.178 -7.458 1.00 11.60 H new ATOM 0 HB3 GLN A 64 13.516 14.153 -6.371 1.00 11.60 H new ATOM 0 HG2 GLN A 64 11.959 14.678 -4.530 1.00 11.93 H new ATOM 0 HG3 GLN A 64 11.061 15.759 -5.577 1.00 11.93 H new ATOM 0 HE21 GLN A 64 11.860 12.400 -4.851 1.00 12.56 H new ATOM 0 HE22 GLN A 64 10.562 11.675 -5.806 1.00 12.56 H new ATOM 191 N GLN A 65 15.104 15.294 -4.227 1.00 9.38 N ATOM 192 CA GLN A 65 15.553 15.092 -2.855 1.00 8.48 C ATOM 193 C GLN A 65 14.446 14.463 -2.008 1.00 7.33 C ATOM 194 O GLN A 65 13.306 14.928 -2.026 1.00 7.14 O ATOM 195 CB GLN A 65 15.986 16.424 -2.242 1.00 8.62 C ATOM 196 CG GLN A 65 16.672 16.280 -0.894 1.00 8.27 C ATOM 197 CD GLN A 65 17.156 17.606 -0.341 1.00 8.82 C ATOM 198 OE1 GLN A 65 16.433 18.292 0.382 1.00 9.26 O ATOM 199 NE2 GLN A 65 18.384 17.977 -0.682 1.00 9.08 N ATOM 0 H GLN A 65 15.606 14.740 -4.921 1.00 9.38 H new ATOM 0 HA GLN A 65 16.404 14.411 -2.870 1.00 8.48 H new ATOM 0 HB2 GLN A 65 16.662 16.929 -2.932 1.00 8.62 H new ATOM 0 HB3 GLN A 65 15.111 17.063 -2.128 1.00 8.62 H new ATOM 0 HG2 GLN A 65 15.980 15.826 -0.185 1.00 8.27 H new ATOM 0 HG3 GLN A 65 17.519 15.601 -0.992 1.00 8.27 H new ATOM 0 HE21 GLN A 65 18.949 17.378 -1.284 1.00 9.08 H new ATOM 0 HE22 GLN A 65 18.762 18.861 -0.342 1.00 9.08 H new ATOM 208 N PRO A 66 14.768 13.397 -1.250 1.00 6.81 N ATOM 209 CA PRO A 66 13.791 12.708 -0.397 1.00 5.89 C ATOM 210 C PRO A 66 13.200 13.629 0.664 1.00 5.05 C ATOM 211 O PRO A 66 13.890 14.496 1.202 1.00 5.36 O ATOM 212 CB PRO A 66 14.602 11.586 0.261 1.00 6.09 C ATOM 213 CG PRO A 66 16.027 12.000 0.120 1.00 6.84 C ATOM 214 CD PRO A 66 16.102 12.783 -1.158 1.00 7.40 C ATOM 0 HA PRO A 66 12.939 12.347 -0.973 1.00 5.89 H new ATOM 0 HB2 PRO A 66 14.329 11.465 1.309 1.00 6.09 H new ATOM 0 HB3 PRO A 66 14.420 10.629 -0.228 1.00 6.09 H new ATOM 0 HG2 PRO A 66 16.344 12.606 0.969 1.00 6.84 H new ATOM 0 HG3 PRO A 66 16.685 11.131 0.085 1.00 6.84 H new ATOM 0 HD2 PRO A 66 16.891 13.535 -1.125 1.00 7.40 H new ATOM 0 HD3 PRO A 66 16.310 12.140 -2.013 1.00 7.40 H new ATOM 222 N ALA A 67 11.920 13.432 0.963 1.00 4.40 N ATOM 223 CA ALA A 67 11.231 14.246 1.955 1.00 4.02 C ATOM 224 C ALA A 67 11.336 13.638 3.349 1.00 3.26 C ATOM 225 O ALA A 67 11.650 14.333 4.316 1.00 3.54 O ATOM 226 CB ALA A 67 9.772 14.424 1.566 1.00 4.69 C ATOM 0 H ALA A 67 11.339 12.714 0.531 1.00 4.40 H new ATOM 0 HA ALA A 67 11.716 15.222 1.981 1.00 4.02 H new ATOM 0 HB1 ALA A 67 9.268 15.034 2.315 1.00 4.69 H new ATOM 0 HB2 ALA A 67 9.712 14.917 0.596 1.00 4.69 H new ATOM 0 HB3 ALA A 67 9.289 13.448 1.508 1.00 4.69 H new ATOM 232 N ALA A 68 11.071 12.339 3.452 1.00 2.77 N ATOM 233 CA ALA A 68 11.132 11.654 4.737 1.00 2.41 C ATOM 234 C ALA A 68 11.696 10.242 4.595 1.00 2.14 C ATOM 235 O ALA A 68 12.900 10.029 4.740 1.00 2.43 O ATOM 236 CB ALA A 68 9.757 11.622 5.382 1.00 2.80 C ATOM 0 H ALA A 68 10.813 11.743 2.665 1.00 2.77 H new ATOM 0 HA ALA A 68 11.810 12.212 5.383 1.00 2.41 H new ATOM 0 HB1 ALA A 68 9.817 11.108 6.341 1.00 2.80 H new ATOM 0 HB2 ALA A 68 9.405 12.642 5.539 1.00 2.80 H new ATOM 0 HB3 ALA A 68 9.061 11.094 4.730 1.00 2.80 H new ATOM 242 N GLN A 69 10.824 9.276 4.313 1.00 1.87 N ATOM 243 CA GLN A 69 11.243 7.892 4.165 1.00 1.69 C ATOM 244 C GLN A 69 11.321 7.485 2.695 1.00 1.56 C ATOM 245 O GLN A 69 11.253 6.302 2.365 1.00 2.35 O ATOM 246 CB GLN A 69 10.282 6.965 4.910 1.00 1.76 C ATOM 247 CG GLN A 69 8.838 7.084 4.460 1.00 1.85 C ATOM 248 CD GLN A 69 8.081 8.185 5.180 1.00 2.36 C ATOM 249 OE1 GLN A 69 8.662 9.186 5.598 1.00 2.88 O ATOM 250 NE2 GLN A 69 6.774 8.003 5.328 1.00 2.89 N ATOM 0 H GLN A 69 9.824 9.430 4.183 1.00 1.87 H new ATOM 0 HA GLN A 69 12.240 7.801 4.595 1.00 1.69 H new ATOM 0 HB2 GLN A 69 10.610 5.934 4.776 1.00 1.76 H new ATOM 0 HB3 GLN A 69 10.339 7.181 5.977 1.00 1.76 H new ATOM 0 HG2 GLN A 69 8.812 7.275 3.387 1.00 1.85 H new ATOM 0 HG3 GLN A 69 8.332 6.133 4.627 1.00 1.85 H new ATOM 0 HE21 GLN A 69 6.333 7.158 4.966 1.00 2.89 H new ATOM 0 HE22 GLN A 69 6.212 8.708 5.804 1.00 2.89 H new ATOM 259 N ARG A 70 11.458 8.478 1.817 1.00 1.11 N ATOM 260 CA ARG A 70 11.546 8.236 0.378 1.00 0.97 C ATOM 261 C ARG A 70 10.506 7.223 -0.085 1.00 0.85 C ATOM 262 O ARG A 70 10.825 6.272 -0.797 1.00 1.09 O ATOM 263 CB ARG A 70 12.943 7.745 0.001 1.00 1.04 C ATOM 264 CG ARG A 70 13.292 6.400 0.614 1.00 1.14 C ATOM 265 CD ARG A 70 14.393 5.709 -0.160 1.00 1.33 C ATOM 266 NE ARG A 70 13.972 5.353 -1.511 1.00 1.94 N ATOM 267 CZ ARG A 70 14.819 5.133 -2.513 1.00 2.37 C ATOM 268 NH1 ARG A 70 16.126 5.227 -2.311 1.00 2.34 N ATOM 269 NH2 ARG A 70 14.359 4.818 -3.716 1.00 3.26 N ATOM 0 H ARG A 70 11.511 9.462 2.079 1.00 1.11 H new ATOM 0 HA ARG A 70 11.348 9.184 -0.123 1.00 0.97 H new ATOM 0 HB2 ARG A 70 13.014 7.672 -1.084 1.00 1.04 H new ATOM 0 HB3 ARG A 70 13.679 8.484 0.319 1.00 1.04 H new ATOM 0 HG2 ARG A 70 13.605 6.540 1.648 1.00 1.14 H new ATOM 0 HG3 ARG A 70 12.405 5.766 0.633 1.00 1.14 H new ATOM 0 HD2 ARG A 70 15.264 6.362 -0.212 1.00 1.33 H new ATOM 0 HD3 ARG A 70 14.701 4.809 0.373 1.00 1.33 H new ATOM 0 HE ARG A 70 12.973 5.268 -1.697 1.00 1.94 H new ATOM 0 HH11 ARG A 70 16.483 5.468 -1.387 1.00 2.34 H new ATOM 0 HH12 ARG A 70 16.774 5.058 -3.080 1.00 2.34 H new ATOM 0 HH21 ARG A 70 13.354 4.744 -3.874 1.00 3.26 H new ATOM 0 HH22 ARG A 70 15.010 4.650 -4.483 1.00 3.26 H new ATOM 283 N THR A 71 9.259 7.440 0.312 1.00 0.63 N ATOM 284 CA THR A 71 8.167 6.544 -0.060 1.00 0.51 C ATOM 285 C THR A 71 8.239 6.152 -1.533 1.00 0.45 C ATOM 286 O THR A 71 8.801 6.878 -2.353 1.00 0.58 O ATOM 287 CB THR A 71 6.793 7.178 0.218 1.00 0.52 C ATOM 288 OG1 THR A 71 6.794 8.554 -0.183 1.00 0.62 O ATOM 289 CG2 THR A 71 6.440 7.069 1.692 1.00 0.60 C ATOM 0 H THR A 71 8.976 8.230 0.893 1.00 0.63 H new ATOM 0 HA THR A 71 8.281 5.652 0.555 1.00 0.51 H new ATOM 0 HB THR A 71 6.043 6.638 -0.360 1.00 0.52 H new ATOM 0 HG1 THR A 71 5.915 8.948 -0.003 1.00 0.62 H new ATOM 0 HG21 THR A 71 5.465 7.523 1.867 1.00 0.60 H new ATOM 0 HG22 THR A 71 6.408 6.019 1.982 1.00 0.60 H new ATOM 0 HG23 THR A 71 7.193 7.587 2.286 1.00 0.60 H new ATOM 297 N TYR A 72 7.663 5.000 -1.859 1.00 0.37 N ATOM 298 CA TYR A 72 7.670 4.505 -3.231 1.00 0.35 C ATOM 299 C TYR A 72 6.313 4.710 -3.894 1.00 0.37 C ATOM 300 O TYR A 72 5.305 4.928 -3.220 1.00 0.55 O ATOM 301 CB TYR A 72 8.061 3.026 -3.261 1.00 0.36 C ATOM 302 CG TYR A 72 9.534 2.793 -3.008 1.00 0.44 C ATOM 303 CD1 TYR A 72 10.162 3.328 -1.889 1.00 0.69 C ATOM 304 CD2 TYR A 72 10.299 2.042 -3.892 1.00 0.49 C ATOM 305 CE1 TYR A 72 11.509 3.121 -1.658 1.00 0.79 C ATOM 306 CE2 TYR A 72 11.647 1.830 -3.667 1.00 0.59 C ATOM 307 CZ TYR A 72 12.246 2.371 -2.549 1.00 0.67 C ATOM 308 OH TYR A 72 13.587 2.163 -2.323 1.00 0.80 O ATOM 0 H TYR A 72 7.186 4.392 -1.193 1.00 0.37 H new ATOM 0 HA TYR A 72 8.410 5.075 -3.793 1.00 0.35 H new ATOM 0 HB2 TYR A 72 7.481 2.488 -2.511 1.00 0.36 H new ATOM 0 HB3 TYR A 72 7.795 2.606 -4.231 1.00 0.36 H new ATOM 0 HD1 TYR A 72 9.588 3.915 -1.188 1.00 0.69 H new ATOM 0 HD2 TYR A 72 9.833 1.617 -4.769 1.00 0.49 H new ATOM 0 HE1 TYR A 72 11.981 3.545 -0.784 1.00 0.79 H new ATOM 0 HE2 TYR A 72 12.228 1.244 -4.364 1.00 0.59 H new ATOM 0 HH TYR A 72 13.959 1.613 -3.044 1.00 0.80 H new ATOM 318 N ALA A 73 6.296 4.640 -5.221 1.00 0.34 N ATOM 319 CA ALA A 73 5.070 4.832 -5.983 1.00 0.44 C ATOM 320 C ALA A 73 4.315 3.523 -6.183 1.00 0.40 C ATOM 321 O ALA A 73 3.108 3.455 -5.952 1.00 0.74 O ATOM 322 CB ALA A 73 5.383 5.469 -7.327 1.00 0.56 C ATOM 0 H ALA A 73 7.120 4.451 -5.791 1.00 0.34 H new ATOM 0 HA ALA A 73 4.426 5.498 -5.409 1.00 0.44 H new ATOM 0 HB1 ALA A 73 4.459 5.608 -7.888 1.00 0.56 H new ATOM 0 HB2 ALA A 73 5.860 6.436 -7.169 1.00 0.56 H new ATOM 0 HB3 ALA A 73 6.055 4.821 -7.889 1.00 0.56 H new ATOM 328 N LYS A 74 5.022 2.483 -6.616 1.00 0.27 N ATOM 329 CA LYS A 74 4.390 1.190 -6.852 1.00 0.25 C ATOM 330 C LYS A 74 5.175 0.045 -6.220 1.00 0.21 C ATOM 331 O LYS A 74 6.380 0.146 -5.992 1.00 0.23 O ATOM 332 CB LYS A 74 4.246 0.943 -8.354 1.00 0.32 C ATOM 333 CG LYS A 74 3.567 -0.375 -8.690 1.00 0.35 C ATOM 334 CD LYS A 74 3.513 -0.602 -10.188 1.00 0.50 C ATOM 335 CE LYS A 74 2.973 -1.982 -10.526 1.00 0.53 C ATOM 336 NZ LYS A 74 2.836 -2.178 -11.997 1.00 0.69 N ATOM 0 H LYS A 74 6.023 2.510 -6.809 1.00 0.27 H new ATOM 0 HA LYS A 74 3.406 1.220 -6.384 1.00 0.25 H new ATOM 0 HB2 LYS A 74 3.675 1.760 -8.795 1.00 0.32 H new ATOM 0 HB3 LYS A 74 5.234 0.961 -8.813 1.00 0.32 H new ATOM 0 HG2 LYS A 74 4.106 -1.195 -8.215 1.00 0.35 H new ATOM 0 HG3 LYS A 74 2.556 -0.380 -8.283 1.00 0.35 H new ATOM 0 HD2 LYS A 74 2.883 0.159 -10.649 1.00 0.50 H new ATOM 0 HD3 LYS A 74 4.512 -0.488 -10.610 1.00 0.50 H new ATOM 0 HE2 LYS A 74 3.639 -2.743 -10.118 1.00 0.53 H new ATOM 0 HE3 LYS A 74 2.003 -2.119 -10.049 1.00 0.53 H new ATOM 0 HZ1 LYS A 74 2.465 -3.131 -12.187 1.00 0.69 H new ATOM 0 HZ2 LYS A 74 2.181 -1.468 -12.382 1.00 0.69 H new ATOM 0 HZ3 LYS A 74 3.766 -2.072 -12.449 1.00 0.69 H new ATOM 350 N ALA A 75 4.466 -1.044 -5.944 1.00 0.21 N ATOM 351 CA ALA A 75 5.061 -2.237 -5.352 1.00 0.22 C ATOM 352 C ALA A 75 4.114 -3.421 -5.510 1.00 0.20 C ATOM 353 O ALA A 75 2.918 -3.306 -5.240 1.00 0.42 O ATOM 354 CB ALA A 75 5.396 -2.003 -3.885 1.00 0.33 C ATOM 0 H ALA A 75 3.465 -1.125 -6.124 1.00 0.21 H new ATOM 0 HA ALA A 75 5.991 -2.461 -5.874 1.00 0.22 H new ATOM 0 HB1 ALA A 75 5.838 -2.906 -3.464 1.00 0.33 H new ATOM 0 HB2 ALA A 75 6.104 -1.179 -3.800 1.00 0.33 H new ATOM 0 HB3 ALA A 75 4.486 -1.757 -3.339 1.00 0.33 H new ATOM 360 N ILE A 76 4.645 -4.558 -5.949 1.00 0.24 N ATOM 361 CA ILE A 76 3.822 -5.743 -6.163 1.00 0.21 C ATOM 362 C ILE A 76 4.282 -6.932 -5.334 1.00 0.22 C ATOM 363 O ILE A 76 5.473 -7.218 -5.228 1.00 0.27 O ATOM 364 CB ILE A 76 3.817 -6.162 -7.649 1.00 0.22 C ATOM 365 CG1 ILE A 76 3.328 -5.012 -8.526 1.00 0.22 C ATOM 366 CG2 ILE A 76 2.953 -7.400 -7.867 1.00 0.26 C ATOM 367 CD1 ILE A 76 3.171 -5.396 -9.979 1.00 0.26 C ATOM 0 H ILE A 76 5.635 -4.684 -6.162 1.00 0.24 H new ATOM 0 HA ILE A 76 2.817 -5.463 -5.848 1.00 0.21 H new ATOM 0 HB ILE A 76 4.840 -6.409 -7.933 1.00 0.22 H new ATOM 0 HG12 ILE A 76 2.371 -4.655 -8.146 1.00 0.22 H new ATOM 0 HG13 ILE A 76 4.030 -4.182 -8.450 1.00 0.22 H new ATOM 0 HG21 ILE A 76 2.968 -7.673 -8.922 1.00 0.26 H new ATOM 0 HG22 ILE A 76 3.344 -8.226 -7.273 1.00 0.26 H new ATOM 0 HG23 ILE A 76 1.929 -7.187 -7.561 1.00 0.26 H new ATOM 0 HD11 ILE A 76 2.821 -4.534 -10.547 1.00 0.26 H new ATOM 0 HD12 ILE A 76 4.132 -5.725 -10.374 1.00 0.26 H new ATOM 0 HD13 ILE A 76 2.447 -6.206 -10.065 1.00 0.26 H new ATOM 379 N LEU A 77 3.312 -7.618 -4.747 1.00 0.22 N ATOM 380 CA LEU A 77 3.575 -8.812 -3.968 1.00 0.25 C ATOM 381 C LEU A 77 3.198 -10.018 -4.815 1.00 0.23 C ATOM 382 O LEU A 77 2.055 -10.478 -4.790 1.00 0.26 O ATOM 383 CB LEU A 77 2.776 -8.802 -2.663 1.00 0.27 C ATOM 384 CG LEU A 77 2.920 -10.060 -1.806 1.00 0.30 C ATOM 385 CD1 LEU A 77 4.388 -10.384 -1.579 1.00 0.29 C ATOM 386 CD2 LEU A 77 2.199 -9.884 -0.478 1.00 0.33 C ATOM 0 H LEU A 77 2.326 -7.362 -4.799 1.00 0.22 H new ATOM 0 HA LEU A 77 4.631 -8.853 -3.700 1.00 0.25 H new ATOM 0 HB2 LEU A 77 3.086 -7.941 -2.072 1.00 0.27 H new ATOM 0 HB3 LEU A 77 1.722 -8.662 -2.901 1.00 0.27 H new ATOM 0 HG LEU A 77 2.463 -10.895 -2.337 1.00 0.30 H new ATOM 0 HD11 LEU A 77 4.472 -11.282 -0.967 1.00 0.29 H new ATOM 0 HD12 LEU A 77 4.876 -10.552 -2.539 1.00 0.29 H new ATOM 0 HD13 LEU A 77 4.870 -9.550 -1.068 1.00 0.29 H new ATOM 0 HD21 LEU A 77 2.311 -10.789 0.120 1.00 0.33 H new ATOM 0 HD22 LEU A 77 2.628 -9.038 0.060 1.00 0.33 H new ATOM 0 HD23 LEU A 77 1.140 -9.699 -0.660 1.00 0.33 H new ATOM 398 N GLU A 78 4.161 -10.510 -5.584 1.00 0.23 N ATOM 399 CA GLU A 78 3.923 -11.638 -6.471 1.00 0.24 C ATOM 400 C GLU A 78 3.997 -12.963 -5.726 1.00 0.23 C ATOM 401 O GLU A 78 5.079 -13.482 -5.446 1.00 0.34 O ATOM 402 CB GLU A 78 4.923 -11.612 -7.619 1.00 0.27 C ATOM 403 CG GLU A 78 4.732 -10.430 -8.560 1.00 0.29 C ATOM 404 CD GLU A 78 5.713 -10.441 -9.716 1.00 0.36 C ATOM 405 OE1 GLU A 78 5.434 -11.124 -10.724 1.00 0.69 O ATOM 406 OE2 GLU A 78 6.759 -9.766 -9.613 1.00 0.67 O ATOM 0 H GLU A 78 5.113 -10.145 -5.610 1.00 0.23 H new ATOM 0 HA GLU A 78 2.914 -11.547 -6.872 1.00 0.24 H new ATOM 0 HB2 GLU A 78 5.933 -11.582 -7.211 1.00 0.27 H new ATOM 0 HB3 GLU A 78 4.836 -12.538 -8.188 1.00 0.27 H new ATOM 0 HG2 GLU A 78 3.715 -10.443 -8.951 1.00 0.29 H new ATOM 0 HG3 GLU A 78 4.847 -9.502 -8.000 1.00 0.29 H new ATOM 413 N VAL A 79 2.826 -13.497 -5.410 1.00 0.17 N ATOM 414 CA VAL A 79 2.718 -14.768 -4.698 1.00 0.18 C ATOM 415 C VAL A 79 2.016 -15.825 -5.541 1.00 0.19 C ATOM 416 O VAL A 79 1.421 -15.530 -6.577 1.00 0.34 O ATOM 417 CB VAL A 79 1.953 -14.636 -3.356 1.00 0.21 C ATOM 418 CG1 VAL A 79 2.922 -14.619 -2.189 1.00 0.45 C ATOM 419 CG2 VAL A 79 1.062 -13.399 -3.336 1.00 0.48 C ATOM 0 H VAL A 79 1.929 -13.068 -5.637 1.00 0.17 H new ATOM 0 HA VAL A 79 3.744 -15.073 -4.494 1.00 0.18 H new ATOM 0 HB VAL A 79 1.306 -15.507 -3.258 1.00 0.21 H new ATOM 0 HG11 VAL A 79 2.366 -14.526 -1.256 1.00 0.45 H new ATOM 0 HG12 VAL A 79 3.495 -15.546 -2.179 1.00 0.45 H new ATOM 0 HG13 VAL A 79 3.602 -13.773 -2.293 1.00 0.45 H new ATOM 0 HG21 VAL A 79 0.542 -13.340 -2.380 1.00 0.48 H new ATOM 0 HG22 VAL A 79 1.674 -12.507 -3.471 1.00 0.48 H new ATOM 0 HG23 VAL A 79 0.332 -13.464 -4.143 1.00 0.48 H new ATOM 429 N CYS A 80 2.102 -17.062 -5.073 1.00 0.30 N ATOM 430 CA CYS A 80 1.478 -18.200 -5.736 1.00 0.34 C ATOM 431 C CYS A 80 0.337 -18.758 -4.880 1.00 0.33 C ATOM 432 O CYS A 80 -0.464 -19.565 -5.352 1.00 0.39 O ATOM 433 CB CYS A 80 2.539 -19.280 -6.000 1.00 0.43 C ATOM 434 SG CYS A 80 1.898 -20.972 -6.272 1.00 0.63 S ATOM 0 H CYS A 80 2.607 -17.306 -4.221 1.00 0.30 H new ATOM 0 HA CYS A 80 1.056 -17.877 -6.687 1.00 0.34 H new ATOM 0 HB2 CYS A 80 3.120 -18.986 -6.874 1.00 0.43 H new ATOM 0 HB3 CYS A 80 3.226 -19.303 -5.154 1.00 0.43 H new ATOM 439 N THR A 81 0.284 -18.332 -3.616 1.00 0.31 N ATOM 440 CA THR A 81 -0.735 -18.788 -2.682 1.00 0.36 C ATOM 441 C THR A 81 -0.717 -20.306 -2.524 1.00 0.40 C ATOM 442 O THR A 81 -1.675 -20.898 -2.027 1.00 0.50 O ATOM 443 CB THR A 81 -2.145 -18.340 -3.091 1.00 0.48 C ATOM 444 OG1 THR A 81 -2.554 -19.001 -4.293 1.00 0.57 O ATOM 445 CG2 THR A 81 -2.193 -16.834 -3.288 1.00 0.60 C ATOM 0 H THR A 81 0.945 -17.665 -3.218 1.00 0.31 H new ATOM 0 HA THR A 81 -0.489 -18.325 -1.726 1.00 0.36 H new ATOM 0 HB THR A 81 -2.831 -18.611 -2.289 1.00 0.48 H new ATOM 0 HG1 THR A 81 -1.830 -19.580 -4.611 1.00 0.57 H new ATOM 0 HG21 THR A 81 -3.201 -16.537 -3.578 1.00 0.60 H new ATOM 0 HG22 THR A 81 -1.921 -16.336 -2.357 1.00 0.60 H new ATOM 0 HG23 THR A 81 -1.491 -16.547 -4.071 1.00 0.60 H new ATOM 453 N CYS A 82 0.377 -20.930 -2.946 1.00 0.39 N ATOM 454 CA CYS A 82 0.526 -22.371 -2.825 1.00 0.49 C ATOM 455 C CYS A 82 1.347 -22.710 -1.578 1.00 0.40 C ATOM 456 O CYS A 82 1.454 -23.873 -1.190 1.00 0.41 O ATOM 457 CB CYS A 82 1.181 -22.956 -4.083 1.00 0.64 C ATOM 458 SG CYS A 82 2.626 -22.023 -4.688 1.00 0.49 S ATOM 0 H CYS A 82 1.173 -20.458 -3.375 1.00 0.39 H new ATOM 0 HA CYS A 82 -0.463 -22.817 -2.723 1.00 0.49 H new ATOM 0 HB2 CYS A 82 1.488 -23.981 -3.874 1.00 0.64 H new ATOM 0 HB3 CYS A 82 0.436 -23.002 -4.877 1.00 0.64 H new ATOM 463 N LYS A 83 1.923 -21.675 -0.955 1.00 0.34 N ATOM 464 CA LYS A 83 2.715 -21.847 0.261 1.00 0.30 C ATOM 465 C LYS A 83 1.838 -21.823 1.514 1.00 0.26 C ATOM 466 O LYS A 83 2.346 -21.727 2.631 1.00 0.29 O ATOM 467 CB LYS A 83 3.801 -20.765 0.370 1.00 0.34 C ATOM 468 CG LYS A 83 3.448 -19.429 -0.282 1.00 0.67 C ATOM 469 CD LYS A 83 2.139 -18.842 0.240 1.00 0.32 C ATOM 470 CE LYS A 83 2.153 -18.686 1.752 1.00 0.92 C ATOM 471 NZ LYS A 83 0.793 -18.413 2.290 1.00 1.17 N ATOM 0 H LYS A 83 1.853 -20.709 -1.276 1.00 0.34 H new ATOM 0 HA LYS A 83 3.192 -22.825 0.193 1.00 0.30 H new ATOM 0 HB2 LYS A 83 4.016 -20.592 1.424 1.00 0.34 H new ATOM 0 HB3 LYS A 83 4.717 -21.143 -0.084 1.00 0.34 H new ATOM 0 HG2 LYS A 83 4.256 -18.719 -0.104 1.00 0.67 H new ATOM 0 HG3 LYS A 83 3.375 -19.565 -1.361 1.00 0.67 H new ATOM 0 HD2 LYS A 83 1.966 -17.871 -0.224 1.00 0.32 H new ATOM 0 HD3 LYS A 83 1.310 -19.487 -0.051 1.00 0.32 H new ATOM 0 HE2 LYS A 83 2.549 -19.593 2.208 1.00 0.92 H new ATOM 0 HE3 LYS A 83 2.823 -17.872 2.028 1.00 0.92 H new ATOM 0 HZ1 LYS A 83 0.837 -18.346 3.327 1.00 1.17 H new ATOM 0 HZ2 LYS A 83 0.439 -17.516 1.900 1.00 1.17 H new ATOM 0 HZ3 LYS A 83 0.151 -19.185 2.020 1.00 1.17 H new ATOM 485 N PHE A 84 0.525 -21.913 1.326 1.00 0.30 N ATOM 486 CA PHE A 84 -0.409 -21.904 2.443 1.00 0.36 C ATOM 487 C PHE A 84 -0.003 -22.930 3.499 1.00 0.33 C ATOM 488 O PHE A 84 -0.347 -22.797 4.673 1.00 0.39 O ATOM 489 CB PHE A 84 -1.824 -22.196 1.944 1.00 0.47 C ATOM 490 CG PHE A 84 -2.888 -21.494 2.733 1.00 0.69 C ATOM 491 CD1 PHE A 84 -2.870 -20.117 2.858 1.00 1.22 C ATOM 492 CD2 PHE A 84 -3.903 -22.209 3.348 1.00 1.07 C ATOM 493 CE1 PHE A 84 -3.846 -19.460 3.583 1.00 1.61 C ATOM 494 CE2 PHE A 84 -4.882 -21.558 4.074 1.00 1.49 C ATOM 495 CZ PHE A 84 -4.854 -20.182 4.192 1.00 1.62 C ATOM 0 H PHE A 84 0.085 -21.993 0.409 1.00 0.30 H new ATOM 0 HA PHE A 84 -0.388 -20.915 2.901 1.00 0.36 H new ATOM 0 HB2 PHE A 84 -1.901 -21.899 0.898 1.00 0.47 H new ATOM 0 HB3 PHE A 84 -2.001 -23.271 1.984 1.00 0.47 H new ATOM 0 HD1 PHE A 84 -2.084 -19.548 2.383 1.00 1.22 H new ATOM 0 HD2 PHE A 84 -3.929 -23.285 3.259 1.00 1.07 H new ATOM 0 HE1 PHE A 84 -3.821 -18.384 3.673 1.00 1.61 H new ATOM 0 HE2 PHE A 84 -5.669 -22.125 4.549 1.00 1.49 H new ATOM 0 HZ PHE A 84 -5.618 -19.672 4.759 1.00 1.62 H new ATOM 505 N ARG A 85 0.727 -23.954 3.068 1.00 0.30 N ATOM 506 CA ARG A 85 1.182 -25.007 3.969 1.00 0.32 C ATOM 507 C ARG A 85 2.403 -24.558 4.765 1.00 0.32 C ATOM 508 O ARG A 85 2.463 -24.730 5.982 1.00 0.40 O ATOM 509 CB ARG A 85 1.531 -26.259 3.172 1.00 0.38 C ATOM 510 CG ARG A 85 1.559 -27.518 4.015 1.00 0.53 C ATOM 511 CD ARG A 85 0.157 -27.980 4.377 1.00 1.40 C ATOM 512 NE ARG A 85 0.173 -29.228 5.136 1.00 1.83 N ATOM 513 CZ ARG A 85 -0.856 -30.067 5.201 1.00 2.64 C ATOM 514 NH1 ARG A 85 -1.985 -29.792 4.560 1.00 3.21 N ATOM 515 NH2 ARG A 85 -0.758 -31.183 5.911 1.00 3.28 N ATOM 0 H ARG A 85 1.017 -24.077 2.098 1.00 0.30 H new ATOM 0 HA ARG A 85 0.373 -25.227 4.666 1.00 0.32 H new ATOM 0 HB2 ARG A 85 0.805 -26.384 2.369 1.00 0.38 H new ATOM 0 HB3 ARG A 85 2.505 -26.123 2.703 1.00 0.38 H new ATOM 0 HG2 ARG A 85 2.074 -28.309 3.471 1.00 0.53 H new ATOM 0 HG3 ARG A 85 2.129 -27.334 4.926 1.00 0.53 H new ATOM 0 HD2 ARG A 85 -0.340 -27.206 4.962 1.00 1.40 H new ATOM 0 HD3 ARG A 85 -0.427 -28.116 3.467 1.00 1.40 H new ATOM 0 HE ARG A 85 1.023 -29.470 5.646 1.00 1.83 H new ATOM 0 HH11 ARG A 85 -2.066 -28.934 4.015 1.00 3.21 H new ATOM 0 HH12 ARG A 85 -2.772 -30.439 4.613 1.00 3.21 H new ATOM 0 HH21 ARG A 85 0.107 -31.397 6.407 1.00 3.28 H new ATOM 0 HH22 ARG A 85 -1.548 -31.827 5.961 1.00 3.28 H new ATOM 529 N ALA A 86 3.373 -23.984 4.063 1.00 0.29 N ATOM 530 CA ALA A 86 4.607 -23.521 4.689 1.00 0.33 C ATOM 531 C ALA A 86 4.434 -22.173 5.378 1.00 0.29 C ATOM 532 O ALA A 86 4.747 -22.026 6.560 1.00 0.33 O ATOM 533 CB ALA A 86 5.715 -23.430 3.653 1.00 0.40 C ATOM 0 H ALA A 86 3.329 -23.827 3.056 1.00 0.29 H new ATOM 0 HA ALA A 86 4.874 -24.250 5.454 1.00 0.33 H new ATOM 0 HB1 ALA A 86 6.632 -23.084 4.130 1.00 0.40 H new ATOM 0 HB2 ALA A 86 5.884 -24.413 3.214 1.00 0.40 H new ATOM 0 HB3 ALA A 86 5.425 -22.728 2.871 1.00 0.40 H new ATOM 539 N TYR A 87 3.939 -21.189 4.635 1.00 0.25 N ATOM 540 CA TYR A 87 3.749 -19.847 5.177 1.00 0.23 C ATOM 541 C TYR A 87 2.265 -19.506 5.285 1.00 0.22 C ATOM 542 O TYR A 87 1.785 -18.576 4.637 1.00 0.19 O ATOM 543 CB TYR A 87 4.462 -18.805 4.301 1.00 0.24 C ATOM 544 CG TYR A 87 5.628 -19.354 3.499 1.00 0.29 C ATOM 545 CD1 TYR A 87 6.493 -20.296 4.043 1.00 0.86 C ATOM 546 CD2 TYR A 87 5.855 -18.932 2.195 1.00 0.71 C ATOM 547 CE1 TYR A 87 7.552 -20.800 3.310 1.00 0.91 C ATOM 548 CE2 TYR A 87 6.911 -19.431 1.455 1.00 0.72 C ATOM 549 CZ TYR A 87 7.755 -20.365 2.017 1.00 0.44 C ATOM 550 OH TYR A 87 8.808 -20.865 1.284 1.00 0.53 O ATOM 0 H TYR A 87 3.663 -21.294 3.659 1.00 0.25 H new ATOM 0 HA TYR A 87 4.183 -19.826 6.177 1.00 0.23 H new ATOM 0 HB2 TYR A 87 3.737 -18.369 3.614 1.00 0.24 H new ATOM 0 HB3 TYR A 87 4.823 -17.998 4.938 1.00 0.24 H new ATOM 0 HD1 TYR A 87 6.336 -20.640 5.055 1.00 0.86 H new ATOM 0 HD2 TYR A 87 5.195 -18.201 1.751 1.00 0.71 H new ATOM 0 HE1 TYR A 87 8.216 -21.530 3.748 1.00 0.91 H new ATOM 0 HE2 TYR A 87 7.074 -19.091 0.443 1.00 0.72 H new ATOM 0 HH TYR A 87 8.810 -20.457 0.393 1.00 0.53 H new ATOM 560 N PRO A 88 1.520 -20.258 6.113 1.00 0.32 N ATOM 561 CA PRO A 88 0.081 -20.035 6.306 1.00 0.35 C ATOM 562 C PRO A 88 -0.232 -18.665 6.906 1.00 0.35 C ATOM 563 O PRO A 88 -1.383 -18.229 6.906 1.00 0.38 O ATOM 564 CB PRO A 88 -0.331 -21.148 7.277 1.00 0.45 C ATOM 565 CG PRO A 88 0.933 -21.569 7.944 1.00 0.51 C ATOM 566 CD PRO A 88 2.016 -21.384 6.923 1.00 0.45 C ATOM 0 HA PRO A 88 -0.456 -20.055 5.357 1.00 0.35 H new ATOM 0 HB2 PRO A 88 -1.059 -20.788 8.004 1.00 0.45 H new ATOM 0 HB3 PRO A 88 -0.794 -21.981 6.748 1.00 0.45 H new ATOM 0 HG2 PRO A 88 1.126 -20.967 8.832 1.00 0.51 H new ATOM 0 HG3 PRO A 88 0.876 -22.608 8.270 1.00 0.51 H new ATOM 0 HD2 PRO A 88 2.974 -21.155 7.389 1.00 0.45 H new ATOM 0 HD3 PRO A 88 2.161 -22.281 6.321 1.00 0.45 H new ATOM 574 N GLN A 89 0.793 -17.988 7.416 1.00 0.35 N ATOM 575 CA GLN A 89 0.614 -16.671 8.021 1.00 0.38 C ATOM 576 C GLN A 89 0.642 -15.570 6.962 1.00 0.32 C ATOM 577 O GLN A 89 -0.131 -14.614 7.025 1.00 0.33 O ATOM 578 CB GLN A 89 1.702 -16.417 9.067 1.00 0.46 C ATOM 579 CG GLN A 89 3.114 -16.503 8.510 1.00 1.22 C ATOM 580 CD GLN A 89 4.170 -16.261 9.568 1.00 1.43 C ATOM 581 OE1 GLN A 89 3.949 -15.518 10.525 1.00 1.55 O ATOM 582 NE2 GLN A 89 5.329 -16.889 9.404 1.00 2.24 N ATOM 0 H GLN A 89 1.754 -18.328 7.423 1.00 0.35 H new ATOM 0 HA GLN A 89 -0.362 -16.653 8.507 1.00 0.38 H new ATOM 0 HB2 GLN A 89 1.552 -15.429 9.503 1.00 0.46 H new ATOM 0 HB3 GLN A 89 1.594 -17.141 9.874 1.00 0.46 H new ATOM 0 HG2 GLN A 89 3.267 -17.487 8.067 1.00 1.22 H new ATOM 0 HG3 GLN A 89 3.231 -15.772 7.710 1.00 1.22 H new ATOM 0 HE21 GLN A 89 5.470 -17.496 8.596 1.00 2.24 H new ATOM 0 HE22 GLN A 89 6.077 -16.764 10.086 1.00 2.24 H new ATOM 591 N ILE A 90 1.531 -15.714 5.988 1.00 0.28 N ATOM 592 CA ILE A 90 1.657 -14.732 4.916 1.00 0.24 C ATOM 593 C ILE A 90 0.293 -14.434 4.299 1.00 0.22 C ATOM 594 O ILE A 90 -0.346 -13.436 4.632 1.00 0.26 O ATOM 595 CB ILE A 90 2.640 -15.213 3.827 1.00 0.22 C ATOM 596 CG1 ILE A 90 4.056 -15.300 4.400 1.00 0.28 C ATOM 597 CG2 ILE A 90 2.607 -14.283 2.622 1.00 0.24 C ATOM 598 CD1 ILE A 90 5.104 -15.690 3.381 1.00 0.28 C ATOM 0 H ILE A 90 2.176 -16.501 5.917 1.00 0.28 H new ATOM 0 HA ILE A 90 2.056 -13.816 5.351 1.00 0.24 H new ATOM 0 HB ILE A 90 2.334 -16.205 3.496 1.00 0.22 H new ATOM 0 HG12 ILE A 90 4.323 -14.335 4.831 1.00 0.28 H new ATOM 0 HG13 ILE A 90 4.065 -16.026 5.213 1.00 0.28 H new ATOM 0 HG21 ILE A 90 3.307 -14.641 1.867 1.00 0.24 H new ATOM 0 HG22 ILE A 90 1.601 -14.265 2.204 1.00 0.24 H new ATOM 0 HG23 ILE A 90 2.890 -13.277 2.931 1.00 0.24 H new ATOM 0 HD11 ILE A 90 6.081 -15.731 3.862 1.00 0.28 H new ATOM 0 HD12 ILE A 90 4.862 -16.669 2.967 1.00 0.28 H new ATOM 0 HD13 ILE A 90 5.124 -14.952 2.579 1.00 0.28 H new ATOM 610 N GLN A 91 -0.153 -15.306 3.401 1.00 0.21 N ATOM 611 CA GLN A 91 -1.450 -15.137 2.753 1.00 0.25 C ATOM 612 C GLN A 91 -2.531 -14.818 3.781 1.00 0.29 C ATOM 613 O GLN A 91 -3.539 -14.187 3.462 1.00 0.34 O ATOM 614 CB GLN A 91 -1.826 -16.399 1.976 1.00 0.30 C ATOM 615 CG GLN A 91 -3.203 -16.334 1.340 1.00 0.37 C ATOM 616 CD GLN A 91 -3.481 -17.508 0.429 1.00 0.84 C ATOM 617 OE1 GLN A 91 -2.924 -18.591 0.603 1.00 1.41 O ATOM 618 NE2 GLN A 91 -4.355 -17.301 -0.545 1.00 1.26 N ATOM 0 H GLN A 91 0.362 -16.135 3.105 1.00 0.21 H new ATOM 0 HA GLN A 91 -1.375 -14.301 2.057 1.00 0.25 H new ATOM 0 HB2 GLN A 91 -1.083 -16.571 1.197 1.00 0.30 H new ATOM 0 HB3 GLN A 91 -1.786 -17.255 2.649 1.00 0.30 H new ATOM 0 HG2 GLN A 91 -3.960 -16.301 2.124 1.00 0.37 H new ATOM 0 HG3 GLN A 91 -3.293 -15.409 0.771 1.00 0.37 H new ATOM 0 HE21 GLN A 91 -4.793 -16.386 -0.652 1.00 1.26 H new ATOM 0 HE22 GLN A 91 -4.590 -18.057 -1.188 1.00 1.26 H new ATOM 627 N ALA A 92 -2.310 -15.258 5.017 1.00 0.29 N ATOM 628 CA ALA A 92 -3.252 -15.008 6.099 1.00 0.36 C ATOM 629 C ALA A 92 -3.612 -13.529 6.162 1.00 0.37 C ATOM 630 O ALA A 92 -4.788 -13.167 6.180 1.00 0.43 O ATOM 631 CB ALA A 92 -2.666 -15.472 7.422 1.00 0.42 C ATOM 0 H ALA A 92 -1.485 -15.790 5.292 1.00 0.29 H new ATOM 0 HA ALA A 92 -4.164 -15.573 5.906 1.00 0.36 H new ATOM 0 HB1 ALA A 92 -3.379 -15.280 8.223 1.00 0.42 H new ATOM 0 HB2 ALA A 92 -2.456 -16.540 7.372 1.00 0.42 H new ATOM 0 HB3 ALA A 92 -1.742 -14.929 7.621 1.00 0.42 H new ATOM 637 N PHE A 93 -2.590 -12.673 6.195 1.00 0.36 N ATOM 638 CA PHE A 93 -2.819 -11.237 6.234 1.00 0.42 C ATOM 639 C PHE A 93 -3.453 -10.789 4.924 1.00 0.43 C ATOM 640 O PHE A 93 -4.276 -9.874 4.898 1.00 0.54 O ATOM 641 CB PHE A 93 -1.511 -10.476 6.505 1.00 0.45 C ATOM 642 CG PHE A 93 -0.599 -10.340 5.317 1.00 0.41 C ATOM 643 CD1 PHE A 93 -0.933 -9.516 4.254 1.00 0.96 C ATOM 644 CD2 PHE A 93 0.599 -11.027 5.273 1.00 0.93 C ATOM 645 CE1 PHE A 93 -0.089 -9.383 3.169 1.00 0.95 C ATOM 646 CE2 PHE A 93 1.449 -10.901 4.189 1.00 0.98 C ATOM 647 CZ PHE A 93 1.105 -10.077 3.136 1.00 0.47 C ATOM 0 H PHE A 93 -1.608 -12.949 6.195 1.00 0.36 H new ATOM 0 HA PHE A 93 -3.501 -11.009 7.053 1.00 0.42 H new ATOM 0 HB2 PHE A 93 -1.757 -9.479 6.872 1.00 0.45 H new ATOM 0 HB3 PHE A 93 -0.970 -10.985 7.303 1.00 0.45 H new ATOM 0 HD1 PHE A 93 -1.865 -8.971 4.274 1.00 0.96 H new ATOM 0 HD2 PHE A 93 0.875 -11.670 6.095 1.00 0.93 H new ATOM 0 HE1 PHE A 93 -0.362 -8.737 2.347 1.00 0.95 H new ATOM 0 HE2 PHE A 93 2.381 -11.447 4.166 1.00 0.98 H new ATOM 0 HZ PHE A 93 1.767 -9.975 2.289 1.00 0.47 H new ATOM 657 N ILE A 94 -3.061 -11.447 3.834 1.00 0.37 N ATOM 658 CA ILE A 94 -3.611 -11.143 2.521 1.00 0.44 C ATOM 659 C ILE A 94 -5.103 -11.418 2.518 1.00 0.52 C ATOM 660 O ILE A 94 -5.885 -10.706 1.887 1.00 0.66 O ATOM 661 CB ILE A 94 -2.946 -11.981 1.416 1.00 0.40 C ATOM 662 CG1 ILE A 94 -1.429 -11.796 1.446 1.00 0.40 C ATOM 663 CG2 ILE A 94 -3.509 -11.592 0.060 1.00 0.55 C ATOM 664 CD1 ILE A 94 -0.721 -12.450 0.279 1.00 0.38 C ATOM 0 H ILE A 94 -2.365 -12.193 3.838 1.00 0.37 H new ATOM 0 HA ILE A 94 -3.416 -10.090 2.317 1.00 0.44 H new ATOM 0 HB ILE A 94 -3.162 -13.035 1.593 1.00 0.40 H new ATOM 0 HG12 ILE A 94 -1.200 -10.730 1.449 1.00 0.40 H new ATOM 0 HG13 ILE A 94 -1.038 -12.209 2.376 1.00 0.40 H new ATOM 0 HG21 ILE A 94 -3.033 -12.190 -0.717 1.00 0.55 H new ATOM 0 HG22 ILE A 94 -4.584 -11.771 0.048 1.00 0.55 H new ATOM 0 HG23 ILE A 94 -3.315 -10.536 -0.125 1.00 0.55 H new ATOM 0 HD11 ILE A 94 0.352 -12.280 0.363 1.00 0.38 H new ATOM 0 HD12 ILE A 94 -0.920 -13.522 0.287 1.00 0.38 H new ATOM 0 HD13 ILE A 94 -1.085 -12.020 -0.654 1.00 0.38 H new ATOM 676 N GLN A 95 -5.482 -12.465 3.235 1.00 0.48 N ATOM 677 CA GLN A 95 -6.880 -12.846 3.354 1.00 0.60 C ATOM 678 C GLN A 95 -7.587 -11.916 4.334 1.00 0.54 C ATOM 679 O GLN A 95 -8.801 -11.728 4.264 1.00 0.59 O ATOM 680 CB GLN A 95 -7.007 -14.297 3.826 1.00 0.73 C ATOM 681 CG GLN A 95 -6.539 -15.316 2.800 1.00 0.84 C ATOM 682 CD GLN A 95 -6.859 -16.740 3.208 1.00 1.04 C ATOM 683 OE1 GLN A 95 -6.900 -17.064 4.395 1.00 1.64 O ATOM 684 NE2 GLN A 95 -7.092 -17.599 2.223 1.00 1.51 N ATOM 0 H GLN A 95 -4.837 -13.068 3.745 1.00 0.48 H new ATOM 0 HA GLN A 95 -7.348 -12.761 2.373 1.00 0.60 H new ATOM 0 HB2 GLN A 95 -6.429 -14.424 4.741 1.00 0.73 H new ATOM 0 HB3 GLN A 95 -8.049 -14.499 4.076 1.00 0.73 H new ATOM 0 HG2 GLN A 95 -7.009 -15.102 1.840 1.00 0.84 H new ATOM 0 HG3 GLN A 95 -5.463 -15.215 2.658 1.00 0.84 H new ATOM 0 HE21 GLN A 95 -7.047 -17.287 1.253 1.00 1.51 H new ATOM 0 HE22 GLN A 95 -7.316 -18.571 2.436 1.00 1.51 H new ATOM 693 N SER A 96 -6.811 -11.331 5.248 1.00 0.47 N ATOM 694 CA SER A 96 -7.357 -10.414 6.239 1.00 0.46 C ATOM 695 C SER A 96 -7.986 -9.198 5.565 1.00 0.40 C ATOM 696 O SER A 96 -9.123 -8.832 5.861 1.00 0.51 O ATOM 697 CB SER A 96 -6.263 -9.969 7.210 1.00 0.48 C ATOM 698 OG SER A 96 -6.804 -9.208 8.274 1.00 1.10 O ATOM 0 H SER A 96 -5.804 -11.478 5.319 1.00 0.47 H new ATOM 0 HA SER A 96 -8.133 -10.938 6.796 1.00 0.46 H new ATOM 0 HB2 SER A 96 -5.749 -10.843 7.609 1.00 0.48 H new ATOM 0 HB3 SER A 96 -5.519 -9.377 6.677 1.00 0.48 H new ATOM 0 HG SER A 96 -6.118 -9.073 8.961 1.00 1.10 H new ATOM 704 N GLY A 97 -7.238 -8.573 4.657 1.00 0.34 N ATOM 705 CA GLY A 97 -7.748 -7.409 3.954 1.00 0.37 C ATOM 706 C GLY A 97 -6.905 -6.161 4.160 1.00 0.34 C ATOM 707 O GLY A 97 -7.191 -5.115 3.574 1.00 0.32 O ATOM 0 H GLY A 97 -6.292 -8.851 4.397 1.00 0.34 H new ATOM 0 HA2 GLY A 97 -7.800 -7.631 2.888 1.00 0.37 H new ATOM 0 HA3 GLY A 97 -8.766 -7.210 4.288 1.00 0.37 H new ATOM 711 N ARG A 98 -5.864 -6.264 4.980 1.00 0.39 N ATOM 712 CA ARG A 98 -5.002 -5.123 5.261 1.00 0.39 C ATOM 713 C ARG A 98 -4.298 -4.610 4.006 1.00 0.34 C ATOM 714 O ARG A 98 -4.241 -3.401 3.779 1.00 0.33 O ATOM 715 CB ARG A 98 -3.977 -5.483 6.337 1.00 0.47 C ATOM 716 CG ARG A 98 -4.568 -5.543 7.736 1.00 0.66 C ATOM 717 CD ARG A 98 -5.792 -6.446 7.790 1.00 0.53 C ATOM 718 NE ARG A 98 -6.336 -6.545 9.141 1.00 0.68 N ATOM 719 CZ ARG A 98 -7.582 -6.921 9.407 1.00 0.76 C ATOM 720 NH1 ARG A 98 -8.404 -7.246 8.418 1.00 1.33 N ATOM 721 NH2 ARG A 98 -8.006 -6.977 10.663 1.00 0.83 N ATOM 0 H ARG A 98 -5.598 -7.124 5.460 1.00 0.39 H new ATOM 0 HA ARG A 98 -5.639 -4.318 5.627 1.00 0.39 H new ATOM 0 HB2 ARG A 98 -3.532 -6.449 6.096 1.00 0.47 H new ATOM 0 HB3 ARG A 98 -3.172 -4.749 6.322 1.00 0.47 H new ATOM 0 HG2 ARG A 98 -3.815 -5.908 8.434 1.00 0.66 H new ATOM 0 HG3 ARG A 98 -4.842 -4.539 8.059 1.00 0.66 H new ATOM 0 HD2 ARG A 98 -6.558 -6.060 7.118 1.00 0.53 H new ATOM 0 HD3 ARG A 98 -5.526 -7.440 7.432 1.00 0.53 H new ATOM 0 HE ARG A 98 -5.725 -6.313 9.924 1.00 0.68 H new ATOM 0 HH11 ARG A 98 -8.080 -7.207 7.452 1.00 1.33 H new ATOM 0 HH12 ARG A 98 -9.360 -7.535 8.624 1.00 1.33 H new ATOM 0 HH21 ARG A 98 -7.375 -6.731 11.426 1.00 0.83 H new ATOM 0 HH22 ARG A 98 -8.963 -7.266 10.866 1.00 0.83 H new ATOM 735 N PRO A 99 -3.751 -5.508 3.167 1.00 0.33 N ATOM 736 CA PRO A 99 -3.054 -5.109 1.941 1.00 0.32 C ATOM 737 C PRO A 99 -4.016 -4.583 0.885 1.00 0.31 C ATOM 738 O PRO A 99 -3.621 -3.845 -0.018 1.00 0.35 O ATOM 739 CB PRO A 99 -2.374 -6.401 1.458 1.00 0.39 C ATOM 740 CG PRO A 99 -2.521 -7.372 2.584 1.00 0.41 C ATOM 741 CD PRO A 99 -3.762 -6.967 3.325 1.00 0.37 C ATOM 0 HA PRO A 99 -2.350 -4.297 2.122 1.00 0.32 H new ATOM 0 HB2 PRO A 99 -2.846 -6.778 0.550 1.00 0.39 H new ATOM 0 HB3 PRO A 99 -1.324 -6.228 1.223 1.00 0.39 H new ATOM 0 HG2 PRO A 99 -2.606 -8.392 2.210 1.00 0.41 H new ATOM 0 HG3 PRO A 99 -1.650 -7.344 3.239 1.00 0.41 H new ATOM 0 HD2 PRO A 99 -4.658 -7.417 2.897 1.00 0.37 H new ATOM 0 HD3 PRO A 99 -3.726 -7.264 4.373 1.00 0.37 H new ATOM 749 N ALA A 100 -5.283 -4.969 1.002 1.00 0.30 N ATOM 750 CA ALA A 100 -6.301 -4.519 0.064 1.00 0.33 C ATOM 751 C ALA A 100 -6.519 -3.019 0.203 1.00 0.30 C ATOM 752 O ALA A 100 -6.899 -2.341 -0.750 1.00 0.34 O ATOM 753 CB ALA A 100 -7.603 -5.272 0.293 1.00 0.40 C ATOM 0 H ALA A 100 -5.626 -5.590 1.735 1.00 0.30 H new ATOM 0 HA ALA A 100 -5.958 -4.726 -0.950 1.00 0.33 H new ATOM 0 HB1 ALA A 100 -8.354 -4.924 -0.416 1.00 0.40 H new ATOM 0 HB2 ALA A 100 -7.436 -6.340 0.150 1.00 0.40 H new ATOM 0 HB3 ALA A 100 -7.953 -5.093 1.310 1.00 0.40 H new ATOM 759 N LYS A 101 -6.272 -2.510 1.406 1.00 0.26 N ATOM 760 CA LYS A 101 -6.428 -1.090 1.688 1.00 0.28 C ATOM 761 C LYS A 101 -5.270 -0.283 1.110 1.00 0.26 C ATOM 762 O LYS A 101 -5.370 0.933 0.962 1.00 0.35 O ATOM 763 CB LYS A 101 -6.505 -0.863 3.196 1.00 0.32 C ATOM 764 CG LYS A 101 -7.428 -1.830 3.908 1.00 0.35 C ATOM 765 CD LYS A 101 -7.423 -1.592 5.406 1.00 0.40 C ATOM 766 CE LYS A 101 -6.014 -1.636 5.976 1.00 0.40 C ATOM 767 NZ LYS A 101 -5.410 -0.278 6.079 1.00 0.58 N ATOM 0 H LYS A 101 -5.961 -3.064 2.204 1.00 0.26 H new ATOM 0 HA LYS A 101 -7.352 -0.753 1.218 1.00 0.28 H new ATOM 0 HB2 LYS A 101 -5.504 -0.950 3.620 1.00 0.32 H new ATOM 0 HB3 LYS A 101 -6.844 0.156 3.385 1.00 0.32 H new ATOM 0 HG2 LYS A 101 -8.442 -1.719 3.523 1.00 0.35 H new ATOM 0 HG3 LYS A 101 -7.118 -2.854 3.699 1.00 0.35 H new ATOM 0 HD2 LYS A 101 -7.873 -0.623 5.622 1.00 0.40 H new ATOM 0 HD3 LYS A 101 -8.038 -2.346 5.897 1.00 0.40 H new ATOM 0 HE2 LYS A 101 -6.037 -2.098 6.963 1.00 0.40 H new ATOM 0 HE3 LYS A 101 -5.387 -2.265 5.344 1.00 0.40 H new ATOM 0 HZ1 LYS A 101 -4.918 -0.185 6.991 1.00 0.58 H new ATOM 0 HZ2 LYS A 101 -4.731 -0.140 5.303 1.00 0.58 H new ATOM 0 HZ3 LYS A 101 -6.159 0.441 6.015 1.00 0.58 H new ATOM 781 N PHE A 102 -4.169 -0.962 0.792 1.00 0.20 N ATOM 782 CA PHE A 102 -2.996 -0.295 0.238 1.00 0.20 C ATOM 783 C PHE A 102 -3.112 -0.175 -1.284 1.00 0.23 C ATOM 784 O PHE A 102 -2.940 -1.160 -2.002 1.00 0.28 O ATOM 785 CB PHE A 102 -1.721 -1.071 0.598 1.00 0.23 C ATOM 786 CG PHE A 102 -1.647 -1.546 2.031 1.00 0.23 C ATOM 787 CD1 PHE A 102 -2.499 -1.044 3.006 1.00 0.25 C ATOM 788 CD2 PHE A 102 -0.714 -2.503 2.398 1.00 0.27 C ATOM 789 CE1 PHE A 102 -2.420 -1.488 4.313 1.00 0.30 C ATOM 790 CE2 PHE A 102 -0.631 -2.950 3.703 1.00 0.32 C ATOM 791 CZ PHE A 102 -1.484 -2.442 4.661 1.00 0.33 C ATOM 0 H PHE A 102 -4.066 -1.970 0.909 1.00 0.20 H new ATOM 0 HA PHE A 102 -2.940 0.705 0.668 1.00 0.20 H new ATOM 0 HB2 PHE A 102 -1.642 -1.936 -0.060 1.00 0.23 H new ATOM 0 HB3 PHE A 102 -0.858 -0.437 0.396 1.00 0.23 H new ATOM 0 HD1 PHE A 102 -3.233 -0.297 2.740 1.00 0.25 H new ATOM 0 HD2 PHE A 102 -0.043 -2.905 1.654 1.00 0.27 H new ATOM 0 HE1 PHE A 102 -3.089 -1.089 5.061 1.00 0.30 H new ATOM 0 HE2 PHE A 102 0.101 -3.697 3.973 1.00 0.32 H new ATOM 0 HZ PHE A 102 -1.420 -2.790 5.681 1.00 0.33 H new ATOM 801 N PRO A 103 -3.406 1.034 -1.797 1.00 0.31 N ATOM 802 CA PRO A 103 -3.544 1.271 -3.243 1.00 0.38 C ATOM 803 C PRO A 103 -2.222 1.106 -3.986 1.00 0.36 C ATOM 804 O PRO A 103 -2.192 0.678 -5.139 1.00 0.52 O ATOM 805 CB PRO A 103 -4.018 2.725 -3.321 1.00 0.46 C ATOM 806 CG PRO A 103 -3.531 3.345 -2.058 1.00 0.47 C ATOM 807 CD PRO A 103 -3.623 2.267 -1.018 1.00 0.40 C ATOM 0 HA PRO A 103 -4.225 0.559 -3.708 1.00 0.38 H new ATOM 0 HB2 PRO A 103 -3.607 3.230 -4.195 1.00 0.46 H new ATOM 0 HB3 PRO A 103 -5.104 2.785 -3.400 1.00 0.46 H new ATOM 0 HG2 PRO A 103 -2.506 3.700 -2.165 1.00 0.47 H new ATOM 0 HG3 PRO A 103 -4.140 4.207 -1.784 1.00 0.47 H new ATOM 0 HD2 PRO A 103 -2.869 2.391 -0.241 1.00 0.40 H new ATOM 0 HD3 PRO A 103 -4.594 2.266 -0.523 1.00 0.40 H new ATOM 815 N ASN A 104 -1.133 1.452 -3.312 1.00 0.29 N ATOM 816 CA ASN A 104 0.203 1.348 -3.891 1.00 0.28 C ATOM 817 C ASN A 104 0.698 -0.097 -3.930 1.00 0.29 C ATOM 818 O ASN A 104 1.792 -0.368 -4.428 1.00 0.54 O ATOM 819 CB ASN A 104 1.182 2.183 -3.075 1.00 0.32 C ATOM 820 CG ASN A 104 1.444 3.545 -3.676 1.00 0.30 C ATOM 821 OD1 ASN A 104 2.620 4.084 -3.387 1.00 0.44 O flip ATOM 822 ND2 ASN A 104 0.606 4.104 -4.384 1.00 0.36 N flip ATOM 0 H ASN A 104 -1.148 1.810 -2.357 1.00 0.29 H new ATOM 0 HA ASN A 104 0.145 1.717 -4.915 1.00 0.28 H new ATOM 0 HB2 ASN A 104 0.791 2.307 -2.065 1.00 0.32 H new ATOM 0 HB3 ASN A 104 2.125 1.644 -2.987 1.00 0.32 H new ATOM 0 HD21 ASN A 104 -0.285 3.647 -4.577 1.00 0.36 H new ATOM 0 HD22 ASN A 104 0.803 5.024 -4.777 1.00 0.36 H new ATOM 829 N LEU A 105 -0.101 -1.023 -3.413 1.00 0.25 N ATOM 830 CA LEU A 105 0.288 -2.424 -3.374 1.00 0.24 C ATOM 831 C LEU A 105 -0.637 -3.269 -4.250 1.00 0.24 C ATOM 832 O LEU A 105 -1.862 -3.177 -4.156 1.00 0.44 O ATOM 833 CB LEU A 105 0.275 -2.906 -1.924 1.00 0.26 C ATOM 834 CG LEU A 105 0.625 -4.374 -1.708 1.00 0.27 C ATOM 835 CD1 LEU A 105 1.961 -4.709 -2.354 1.00 0.27 C ATOM 836 CD2 LEU A 105 0.657 -4.687 -0.219 1.00 0.33 C ATOM 0 H LEU A 105 -1.020 -0.828 -3.016 1.00 0.25 H new ATOM 0 HA LEU A 105 1.296 -2.533 -3.774 1.00 0.24 H new ATOM 0 HB2 LEU A 105 0.976 -2.297 -1.353 1.00 0.26 H new ATOM 0 HB3 LEU A 105 -0.717 -2.724 -1.510 1.00 0.26 H new ATOM 0 HG LEU A 105 -0.142 -4.989 -2.180 1.00 0.27 H new ATOM 0 HD11 LEU A 105 2.192 -5.761 -2.188 1.00 0.27 H new ATOM 0 HD12 LEU A 105 1.906 -4.514 -3.425 1.00 0.27 H new ATOM 0 HD13 LEU A 105 2.744 -4.092 -1.912 1.00 0.27 H new ATOM 0 HD21 LEU A 105 0.908 -5.738 -0.073 1.00 0.33 H new ATOM 0 HD22 LEU A 105 1.407 -4.064 0.268 1.00 0.33 H new ATOM 0 HD23 LEU A 105 -0.321 -4.484 0.217 1.00 0.33 H new ATOM 848 N GLN A 106 -0.031 -4.093 -5.101 1.00 0.16 N ATOM 849 CA GLN A 106 -0.773 -4.943 -6.032 1.00 0.18 C ATOM 850 C GLN A 106 -1.309 -6.214 -5.371 1.00 0.19 C ATOM 851 O GLN A 106 -2.516 -6.363 -5.193 1.00 0.29 O ATOM 852 CB GLN A 106 0.136 -5.316 -7.209 1.00 0.20 C ATOM 853 CG GLN A 106 -0.448 -6.368 -8.139 1.00 0.26 C ATOM 854 CD GLN A 106 -1.604 -5.838 -8.965 1.00 0.37 C ATOM 855 OE1 GLN A 106 -1.411 -5.321 -10.066 1.00 0.95 O ATOM 856 NE2 GLN A 106 -2.815 -5.961 -8.434 1.00 0.96 N ATOM 0 H GLN A 106 0.982 -4.191 -5.166 1.00 0.16 H new ATOM 0 HA GLN A 106 -1.636 -4.375 -6.379 1.00 0.18 H new ATOM 0 HB2 GLN A 106 0.352 -4.417 -7.786 1.00 0.20 H new ATOM 0 HB3 GLN A 106 1.086 -5.680 -6.818 1.00 0.20 H new ATOM 0 HG2 GLN A 106 0.333 -6.732 -8.806 1.00 0.26 H new ATOM 0 HG3 GLN A 106 -0.787 -7.220 -7.550 1.00 0.26 H new ATOM 0 HE21 GLN A 106 -2.929 -6.396 -7.519 1.00 0.96 H new ATOM 0 HE22 GLN A 106 -3.631 -5.620 -8.942 1.00 0.96 H new ATOM 865 N ILE A 107 -0.404 -7.126 -5.022 1.00 0.21 N ATOM 866 CA ILE A 107 -0.772 -8.404 -4.414 1.00 0.23 C ATOM 867 C ILE A 107 -1.222 -9.388 -5.484 1.00 0.24 C ATOM 868 O ILE A 107 -2.342 -9.899 -5.443 1.00 0.40 O ATOM 869 CB ILE A 107 -1.895 -8.261 -3.369 1.00 0.27 C ATOM 870 CG1 ILE A 107 -1.571 -7.136 -2.388 1.00 0.27 C ATOM 871 CG2 ILE A 107 -2.082 -9.577 -2.634 1.00 0.33 C ATOM 872 CD1 ILE A 107 -0.354 -7.413 -1.541 1.00 0.38 C ATOM 0 H ILE A 107 0.600 -7.002 -5.152 1.00 0.21 H new ATOM 0 HA ILE A 107 0.119 -8.773 -3.906 1.00 0.23 H new ATOM 0 HB ILE A 107 -2.825 -8.008 -3.878 1.00 0.27 H new ATOM 0 HG12 ILE A 107 -1.415 -6.212 -2.945 1.00 0.27 H new ATOM 0 HG13 ILE A 107 -2.429 -6.974 -1.736 1.00 0.27 H new ATOM 0 HG21 ILE A 107 -2.877 -9.472 -1.896 1.00 0.33 H new ATOM 0 HG22 ILE A 107 -2.350 -10.357 -3.347 1.00 0.33 H new ATOM 0 HG23 ILE A 107 -1.154 -9.848 -2.131 1.00 0.33 H new ATOM 0 HD11 ILE A 107 -0.181 -6.574 -0.867 1.00 0.38 H new ATOM 0 HD12 ILE A 107 -0.515 -8.320 -0.958 1.00 0.38 H new ATOM 0 HD13 ILE A 107 0.515 -7.546 -2.185 1.00 0.38 H new ATOM 884 N LYS A 108 -0.340 -9.648 -6.442 1.00 0.18 N ATOM 885 CA LYS A 108 -0.648 -10.555 -7.539 1.00 0.19 C ATOM 886 C LYS A 108 -0.470 -12.014 -7.139 1.00 0.19 C ATOM 887 O LYS A 108 0.246 -12.334 -6.189 1.00 0.20 O ATOM 888 CB LYS A 108 0.238 -10.241 -8.750 1.00 0.23 C ATOM 889 CG LYS A 108 -0.534 -10.139 -10.056 1.00 0.43 C ATOM 890 CD LYS A 108 0.313 -9.530 -11.162 1.00 0.42 C ATOM 891 CE LYS A 108 1.629 -10.271 -11.331 1.00 0.35 C ATOM 892 NZ LYS A 108 1.421 -11.725 -11.565 1.00 0.82 N ATOM 0 H LYS A 108 0.595 -9.242 -6.480 1.00 0.18 H new ATOM 0 HA LYS A 108 -1.696 -10.405 -7.800 1.00 0.19 H new ATOM 0 HB2 LYS A 108 0.762 -9.302 -8.573 1.00 0.23 H new ATOM 0 HB3 LYS A 108 0.997 -11.017 -8.846 1.00 0.23 H new ATOM 0 HG2 LYS A 108 -0.870 -11.131 -10.359 1.00 0.43 H new ATOM 0 HG3 LYS A 108 -1.427 -9.532 -9.905 1.00 0.43 H new ATOM 0 HD2 LYS A 108 -0.241 -9.553 -12.100 1.00 0.42 H new ATOM 0 HD3 LYS A 108 0.511 -8.483 -10.935 1.00 0.42 H new ATOM 0 HE2 LYS A 108 2.181 -9.844 -12.168 1.00 0.35 H new ATOM 0 HE3 LYS A 108 2.242 -10.131 -10.440 1.00 0.35 H new ATOM 0 HZ1 LYS A 108 2.285 -12.138 -11.971 1.00 0.82 H new ATOM 0 HZ2 LYS A 108 1.204 -12.194 -10.663 1.00 0.82 H new ATOM 0 HZ3 LYS A 108 0.629 -11.861 -12.225 1.00 0.82 H new ATOM 906 N TYR A 109 -1.138 -12.893 -7.878 1.00 0.21 N ATOM 907 CA TYR A 109 -1.058 -14.327 -7.640 1.00 0.23 C ATOM 908 C TYR A 109 -0.320 -14.976 -8.796 1.00 0.24 C ATOM 909 O TYR A 109 -0.878 -15.782 -9.543 1.00 0.27 O ATOM 910 CB TYR A 109 -2.454 -14.931 -7.485 1.00 0.28 C ATOM 911 CG TYR A 109 -3.280 -14.274 -6.403 1.00 0.32 C ATOM 912 CD1 TYR A 109 -2.700 -13.881 -5.203 1.00 0.78 C ATOM 913 CD2 TYR A 109 -4.640 -14.047 -6.579 1.00 0.82 C ATOM 914 CE1 TYR A 109 -3.450 -13.280 -4.212 1.00 0.80 C ATOM 915 CE2 TYR A 109 -5.396 -13.447 -5.593 1.00 0.87 C ATOM 916 CZ TYR A 109 -4.797 -13.065 -4.411 1.00 0.45 C ATOM 917 OH TYR A 109 -5.548 -12.467 -3.425 1.00 0.52 O ATOM 0 H TYR A 109 -1.746 -12.632 -8.654 1.00 0.21 H new ATOM 0 HA TYR A 109 -0.516 -14.510 -6.712 1.00 0.23 H new ATOM 0 HB2 TYR A 109 -2.983 -14.850 -8.434 1.00 0.28 H new ATOM 0 HB3 TYR A 109 -2.358 -15.994 -7.263 1.00 0.28 H new ATOM 0 HD1 TYR A 109 -1.645 -14.048 -5.043 1.00 0.78 H new ATOM 0 HD2 TYR A 109 -5.113 -14.345 -7.503 1.00 0.82 H new ATOM 0 HE1 TYR A 109 -2.984 -12.980 -3.285 1.00 0.80 H new ATOM 0 HE2 TYR A 109 -6.452 -13.277 -5.746 1.00 0.87 H new ATOM 0 HH TYR A 109 -6.478 -12.388 -3.724 1.00 0.52 H new ATOM 927 N VAL A 110 0.944 -14.594 -8.929 1.00 0.24 N ATOM 928 CA VAL A 110 1.820 -15.075 -9.986 1.00 0.27 C ATOM 929 C VAL A 110 1.538 -16.533 -10.379 1.00 0.31 C ATOM 930 O VAL A 110 0.999 -17.308 -9.589 1.00 0.32 O ATOM 931 CB VAL A 110 3.298 -14.877 -9.563 1.00 0.28 C ATOM 932 CG1 VAL A 110 3.888 -16.101 -8.876 1.00 0.29 C ATOM 933 CG2 VAL A 110 4.124 -14.441 -10.754 1.00 0.32 C ATOM 0 H VAL A 110 1.394 -13.932 -8.296 1.00 0.24 H new ATOM 0 HA VAL A 110 1.618 -14.485 -10.880 1.00 0.27 H new ATOM 0 HB VAL A 110 3.323 -14.085 -8.814 1.00 0.28 H new ATOM 0 HG11 VAL A 110 4.924 -15.901 -8.604 1.00 0.29 H new ATOM 0 HG12 VAL A 110 3.314 -16.326 -7.977 1.00 0.29 H new ATOM 0 HG13 VAL A 110 3.849 -16.953 -9.554 1.00 0.29 H new ATOM 0 HG21 VAL A 110 5.161 -14.304 -10.447 1.00 0.32 H new ATOM 0 HG22 VAL A 110 4.073 -15.204 -11.531 1.00 0.32 H new ATOM 0 HG23 VAL A 110 3.734 -13.500 -11.143 1.00 0.32 H new ATOM 943 N ARG A 111 1.913 -16.888 -11.609 1.00 0.39 N ATOM 944 CA ARG A 111 1.699 -18.238 -12.135 1.00 0.44 C ATOM 945 C ARG A 111 1.949 -19.311 -11.077 1.00 0.38 C ATOM 946 O ARG A 111 1.112 -20.187 -10.857 1.00 0.58 O ATOM 947 CB ARG A 111 2.611 -18.484 -13.340 1.00 0.60 C ATOM 948 CG ARG A 111 2.352 -17.546 -14.507 1.00 1.10 C ATOM 949 CD ARG A 111 0.947 -17.718 -15.060 1.00 1.64 C ATOM 950 NE ARG A 111 0.707 -16.866 -16.221 1.00 2.48 N ATOM 951 CZ ARG A 111 -0.369 -16.963 -16.996 1.00 3.06 C ATOM 952 NH1 ARG A 111 -1.295 -17.877 -16.738 1.00 2.96 N ATOM 953 NH2 ARG A 111 -0.518 -16.148 -18.033 1.00 4.06 N ATOM 0 H ARG A 111 2.370 -16.254 -12.264 1.00 0.39 H new ATOM 0 HA ARG A 111 0.655 -18.306 -12.440 1.00 0.44 H new ATOM 0 HB2 ARG A 111 3.649 -18.379 -13.025 1.00 0.60 H new ATOM 0 HB3 ARG A 111 2.482 -19.513 -13.677 1.00 0.60 H new ATOM 0 HG2 ARG A 111 2.493 -16.515 -14.184 1.00 1.10 H new ATOM 0 HG3 ARG A 111 3.080 -17.735 -15.296 1.00 1.10 H new ATOM 0 HD2 ARG A 111 0.792 -18.761 -15.337 1.00 1.64 H new ATOM 0 HD3 ARG A 111 0.220 -17.484 -14.282 1.00 1.64 H new ATOM 0 HE ARG A 111 1.403 -16.157 -16.450 1.00 2.48 H new ATOM 0 HH11 ARG A 111 -1.182 -18.507 -15.944 1.00 2.96 H new ATOM 0 HH12 ARG A 111 -2.120 -17.950 -17.334 1.00 2.96 H new ATOM 0 HH21 ARG A 111 0.194 -15.446 -18.236 1.00 4.06 H new ATOM 0 HH22 ARG A 111 -1.344 -16.224 -18.627 1.00 4.06 H new ATOM 967 N GLY A 112 3.102 -19.235 -10.423 1.00 0.38 N ATOM 968 CA GLY A 112 3.436 -20.213 -9.403 1.00 0.69 C ATOM 969 C GLY A 112 4.874 -20.099 -8.936 1.00 0.58 C ATOM 970 O GLY A 112 5.682 -21.000 -9.164 1.00 0.68 O ATOM 0 H GLY A 112 3.809 -18.517 -10.579 1.00 0.38 H new ATOM 0 HA2 GLY A 112 2.769 -20.085 -8.550 1.00 0.69 H new ATOM 0 HA3 GLY A 112 3.263 -21.215 -9.795 1.00 0.69 H new ATOM 974 N LEU A 113 5.189 -18.991 -8.280 1.00 0.54 N ATOM 975 CA LEU A 113 6.534 -18.752 -7.775 1.00 0.50 C ATOM 976 C LEU A 113 6.515 -18.594 -6.259 1.00 0.41 C ATOM 977 O LEU A 113 5.542 -18.959 -5.599 1.00 0.51 O ATOM 978 CB LEU A 113 7.124 -17.498 -8.422 1.00 0.50 C ATOM 979 CG LEU A 113 6.966 -17.417 -9.939 1.00 0.63 C ATOM 980 CD1 LEU A 113 7.708 -16.207 -10.481 1.00 0.66 C ATOM 981 CD2 LEU A 113 7.470 -18.694 -10.597 1.00 0.73 C ATOM 0 H LEU A 113 4.528 -18.240 -8.084 1.00 0.54 H new ATOM 0 HA LEU A 113 7.156 -19.610 -8.029 1.00 0.50 H new ATOM 0 HB2 LEU A 113 6.653 -16.622 -7.976 1.00 0.50 H new ATOM 0 HB3 LEU A 113 8.185 -17.448 -8.179 1.00 0.50 H new ATOM 0 HG LEU A 113 5.907 -17.307 -10.173 1.00 0.63 H new ATOM 0 HD11 LEU A 113 7.587 -16.161 -11.563 1.00 0.66 H new ATOM 0 HD12 LEU A 113 7.303 -15.300 -10.032 1.00 0.66 H new ATOM 0 HD13 LEU A 113 8.767 -16.290 -10.237 1.00 0.66 H new ATOM 0 HD21 LEU A 113 7.350 -18.618 -11.678 1.00 0.73 H new ATOM 0 HD22 LEU A 113 8.524 -18.835 -10.358 1.00 0.73 H new ATOM 0 HD23 LEU A 113 6.898 -19.544 -10.227 1.00 0.73 H new ATOM 993 N ASP A 114 7.595 -18.050 -5.713 1.00 0.30 N ATOM 994 CA ASP A 114 7.700 -17.842 -4.274 1.00 0.29 C ATOM 995 C ASP A 114 7.280 -16.422 -3.898 1.00 0.23 C ATOM 996 O ASP A 114 7.464 -15.488 -4.677 1.00 0.23 O ATOM 997 CB ASP A 114 9.133 -18.107 -3.806 1.00 0.32 C ATOM 998 CG ASP A 114 10.149 -17.251 -4.536 1.00 0.28 C ATOM 999 OD1 ASP A 114 10.599 -17.663 -5.625 1.00 0.56 O ATOM 1000 OD2 ASP A 114 10.493 -16.167 -4.019 1.00 0.60 O ATOM 0 H ASP A 114 8.410 -17.745 -6.244 1.00 0.30 H new ATOM 0 HA ASP A 114 7.028 -18.542 -3.778 1.00 0.29 H new ATOM 0 HB2 ASP A 114 9.203 -17.915 -2.735 1.00 0.32 H new ATOM 0 HB3 ASP A 114 9.373 -19.159 -3.958 1.00 0.32 H new ATOM 1005 N PRO A 115 6.696 -16.246 -2.699 1.00 0.22 N ATOM 1006 CA PRO A 115 6.258 -14.930 -2.220 1.00 0.20 C ATOM 1007 C PRO A 115 7.414 -13.944 -2.118 1.00 0.20 C ATOM 1008 O PRO A 115 8.318 -14.118 -1.302 1.00 0.22 O ATOM 1009 CB PRO A 115 5.696 -15.210 -0.825 1.00 0.25 C ATOM 1010 CG PRO A 115 5.427 -16.677 -0.786 1.00 0.27 C ATOM 1011 CD PRO A 115 6.409 -17.313 -1.725 1.00 0.27 C ATOM 0 HA PRO A 115 5.537 -14.478 -2.901 1.00 0.20 H new ATOM 0 HB2 PRO A 115 6.407 -14.922 -0.051 1.00 0.25 H new ATOM 0 HB3 PRO A 115 4.784 -14.640 -0.648 1.00 0.25 H new ATOM 0 HG2 PRO A 115 5.547 -17.067 0.225 1.00 0.27 H new ATOM 0 HG3 PRO A 115 4.403 -16.892 -1.091 1.00 0.27 H new ATOM 0 HD2 PRO A 115 7.311 -17.634 -1.205 1.00 0.27 H new ATOM 0 HD3 PRO A 115 5.989 -18.195 -2.208 1.00 0.27 H new ATOM 1019 N VAL A 116 7.381 -12.909 -2.947 1.00 0.19 N ATOM 1020 CA VAL A 116 8.434 -11.902 -2.943 1.00 0.19 C ATOM 1021 C VAL A 116 7.886 -10.485 -3.040 1.00 0.21 C ATOM 1022 O VAL A 116 7.087 -10.165 -3.925 1.00 0.40 O ATOM 1023 CB VAL A 116 9.419 -12.124 -4.102 1.00 0.22 C ATOM 1024 CG1 VAL A 116 10.598 -11.177 -3.995 1.00 0.24 C ATOM 1025 CG2 VAL A 116 9.881 -13.567 -4.129 1.00 0.26 C ATOM 0 H VAL A 116 6.640 -12.745 -3.628 1.00 0.19 H new ATOM 0 HA VAL A 116 8.948 -12.013 -1.988 1.00 0.19 H new ATOM 0 HB VAL A 116 8.906 -11.911 -5.040 1.00 0.22 H new ATOM 0 HG11 VAL A 116 11.282 -11.352 -4.826 1.00 0.24 H new ATOM 0 HG12 VAL A 116 10.242 -10.147 -4.029 1.00 0.24 H new ATOM 0 HG13 VAL A 116 11.119 -11.350 -3.053 1.00 0.24 H new ATOM 0 HG21 VAL A 116 10.578 -13.710 -4.955 1.00 0.26 H new ATOM 0 HG22 VAL A 116 10.377 -13.808 -3.189 1.00 0.26 H new ATOM 0 HG23 VAL A 116 9.020 -14.222 -4.263 1.00 0.26 H new ATOM 1035 N VAL A 117 8.324 -9.647 -2.105 1.00 0.24 N ATOM 1036 CA VAL A 117 7.925 -8.250 -2.077 1.00 0.23 C ATOM 1037 C VAL A 117 8.647 -7.475 -3.169 1.00 0.23 C ATOM 1038 O VAL A 117 9.860 -7.599 -3.326 1.00 0.44 O ATOM 1039 CB VAL A 117 8.227 -7.598 -0.713 1.00 0.25 C ATOM 1040 CG1 VAL A 117 7.227 -8.057 0.334 1.00 0.42 C ATOM 1041 CG2 VAL A 117 9.651 -7.910 -0.272 1.00 0.34 C ATOM 0 H VAL A 117 8.959 -9.917 -1.354 1.00 0.24 H new ATOM 0 HA VAL A 117 6.849 -8.217 -2.245 1.00 0.23 H new ATOM 0 HB VAL A 117 8.133 -6.518 -0.822 1.00 0.25 H new ATOM 0 HG11 VAL A 117 7.458 -7.585 1.289 1.00 0.42 H new ATOM 0 HG12 VAL A 117 6.221 -7.775 0.024 1.00 0.42 H new ATOM 0 HG13 VAL A 117 7.284 -9.140 0.441 1.00 0.42 H new ATOM 0 HG21 VAL A 117 9.844 -7.441 0.693 1.00 0.34 H new ATOM 0 HG22 VAL A 117 9.776 -8.989 -0.182 1.00 0.34 H new ATOM 0 HG23 VAL A 117 10.353 -7.524 -1.010 1.00 0.34 H new ATOM 1051 N LYS A 118 7.903 -6.673 -3.920 1.00 0.35 N ATOM 1052 CA LYS A 118 8.495 -5.899 -4.999 1.00 0.38 C ATOM 1053 C LYS A 118 8.057 -4.442 -4.947 1.00 0.39 C ATOM 1054 O LYS A 118 6.871 -4.140 -4.833 1.00 0.56 O ATOM 1055 CB LYS A 118 8.117 -6.501 -6.354 1.00 0.45 C ATOM 1056 CG LYS A 118 8.485 -7.968 -6.497 1.00 0.52 C ATOM 1057 CD LYS A 118 9.537 -8.175 -7.574 1.00 0.46 C ATOM 1058 CE LYS A 118 9.731 -9.649 -7.891 1.00 0.51 C ATOM 1059 NZ LYS A 118 10.700 -9.855 -9.002 1.00 0.95 N ATOM 0 H LYS A 118 6.898 -6.543 -3.802 1.00 0.35 H new ATOM 0 HA LYS A 118 9.577 -5.935 -4.874 1.00 0.38 H new ATOM 0 HB2 LYS A 118 7.043 -6.389 -6.504 1.00 0.45 H new ATOM 0 HB3 LYS A 118 8.610 -5.934 -7.143 1.00 0.45 H new ATOM 0 HG2 LYS A 118 8.858 -8.345 -5.545 1.00 0.52 H new ATOM 0 HG3 LYS A 118 7.594 -8.546 -6.741 1.00 0.52 H new ATOM 0 HD2 LYS A 118 9.242 -7.644 -8.479 1.00 0.46 H new ATOM 0 HD3 LYS A 118 10.484 -7.745 -7.246 1.00 0.46 H new ATOM 0 HE2 LYS A 118 10.084 -10.168 -7.000 1.00 0.51 H new ATOM 0 HE3 LYS A 118 8.772 -10.092 -8.159 1.00 0.51 H new ATOM 0 HZ1 LYS A 118 10.830 -10.874 -9.165 1.00 0.95 H new ATOM 0 HZ2 LYS A 118 10.335 -9.410 -9.868 1.00 0.95 H new ATOM 0 HZ3 LYS A 118 11.613 -9.425 -8.750 1.00 0.95 H new ATOM 1073 N LEU A 119 9.031 -3.548 -5.030 1.00 0.31 N ATOM 1074 CA LEU A 119 8.769 -2.115 -5.027 1.00 0.37 C ATOM 1075 C LEU A 119 9.184 -1.540 -6.368 1.00 0.44 C ATOM 1076 O LEU A 119 10.369 -1.355 -6.627 1.00 0.90 O ATOM 1077 CB LEU A 119 9.526 -1.416 -3.895 1.00 0.50 C ATOM 1078 CG LEU A 119 8.975 -1.671 -2.492 1.00 0.56 C ATOM 1079 CD1 LEU A 119 9.193 -3.120 -2.092 1.00 0.55 C ATOM 1080 CD2 LEU A 119 9.626 -0.733 -1.488 1.00 0.74 C ATOM 0 H LEU A 119 10.019 -3.792 -5.101 1.00 0.31 H new ATOM 0 HA LEU A 119 7.704 -1.949 -4.862 1.00 0.37 H new ATOM 0 HB2 LEU A 119 10.567 -1.736 -3.923 1.00 0.50 H new ATOM 0 HB3 LEU A 119 9.518 -0.342 -4.082 1.00 0.50 H new ATOM 0 HG LEU A 119 7.903 -1.475 -2.499 1.00 0.56 H new ATOM 0 HD11 LEU A 119 8.795 -3.285 -1.091 1.00 0.55 H new ATOM 0 HD12 LEU A 119 8.681 -3.773 -2.798 1.00 0.55 H new ATOM 0 HD13 LEU A 119 10.260 -3.343 -2.100 1.00 0.55 H new ATOM 0 HD21 LEU A 119 9.223 -0.927 -0.494 1.00 0.74 H new ATOM 0 HD22 LEU A 119 10.703 -0.898 -1.481 1.00 0.74 H new ATOM 0 HD23 LEU A 119 9.419 0.300 -1.768 1.00 0.74 H new ATOM 1092 N LEU A 120 8.207 -1.263 -7.221 1.00 0.34 N ATOM 1093 CA LEU A 120 8.482 -0.750 -8.554 1.00 0.34 C ATOM 1094 C LEU A 120 8.312 0.760 -8.631 1.00 0.41 C ATOM 1095 O LEU A 120 8.060 1.427 -7.626 1.00 0.45 O ATOM 1096 CB LEU A 120 7.557 -1.425 -9.560 1.00 0.38 C ATOM 1097 CG LEU A 120 7.673 -2.944 -9.597 1.00 0.37 C ATOM 1098 CD1 LEU A 120 6.601 -3.589 -8.732 1.00 0.37 C ATOM 1099 CD2 LEU A 120 7.594 -3.446 -11.025 1.00 0.48 C ATOM 0 H LEU A 120 7.216 -1.386 -7.012 1.00 0.34 H new ATOM 0 HA LEU A 120 9.522 -0.976 -8.790 1.00 0.34 H new ATOM 0 HB2 LEU A 120 6.527 -1.157 -9.326 1.00 0.38 H new ATOM 0 HB3 LEU A 120 7.771 -1.032 -10.554 1.00 0.38 H new ATOM 0 HG LEU A 120 8.644 -3.226 -9.190 1.00 0.37 H new ATOM 0 HD11 LEU A 120 6.703 -4.673 -8.774 1.00 0.37 H new ATOM 0 HD12 LEU A 120 6.715 -3.253 -7.701 1.00 0.37 H new ATOM 0 HD13 LEU A 120 5.616 -3.303 -9.100 1.00 0.37 H new ATOM 0 HD21 LEU A 120 7.678 -4.533 -11.034 1.00 0.48 H new ATOM 0 HD22 LEU A 120 6.639 -3.153 -11.461 1.00 0.48 H new ATOM 0 HD23 LEU A 120 8.407 -3.014 -11.608 1.00 0.48 H new ATOM 1111 N ASP A 121 8.450 1.288 -9.840 1.00 0.45 N ATOM 1112 CA ASP A 121 8.314 2.719 -10.074 1.00 0.54 C ATOM 1113 C ASP A 121 7.083 3.009 -10.923 1.00 0.54 C ATOM 1114 O ASP A 121 6.275 3.873 -10.587 1.00 0.75 O ATOM 1115 CB ASP A 121 9.562 3.271 -10.763 1.00 0.70 C ATOM 1116 CG ASP A 121 9.582 4.788 -10.792 1.00 1.19 C ATOM 1117 OD1 ASP A 121 8.897 5.374 -11.656 1.00 1.90 O ATOM 1118 OD2 ASP A 121 10.284 5.388 -9.952 1.00 1.50 O ATOM 0 H ASP A 121 8.657 0.743 -10.677 1.00 0.45 H new ATOM 0 HA ASP A 121 8.198 3.210 -9.108 1.00 0.54 H new ATOM 0 HB2 ASP A 121 10.450 2.908 -10.246 1.00 0.70 H new ATOM 0 HB3 ASP A 121 9.609 2.890 -11.783 1.00 0.70 H new ATOM 1123 N ALA A 122 6.948 2.281 -12.030 1.00 0.72 N ATOM 1124 CA ALA A 122 5.814 2.465 -12.930 1.00 0.82 C ATOM 1125 C ALA A 122 5.971 1.631 -14.199 1.00 0.93 C ATOM 1126 O ALA A 122 5.015 1.016 -14.671 1.00 1.05 O ATOM 1127 CB ALA A 122 5.662 3.937 -13.283 1.00 0.88 C ATOM 0 H ALA A 122 7.608 1.561 -12.324 1.00 0.72 H new ATOM 0 HA ALA A 122 4.915 2.125 -12.415 1.00 0.82 H new ATOM 0 HB1 ALA A 122 4.813 4.064 -13.955 1.00 0.88 H new ATOM 0 HB2 ALA A 122 5.494 4.514 -12.373 1.00 0.88 H new ATOM 0 HB3 ALA A 122 6.569 4.289 -13.774 1.00 0.88 H new ATOM 1133 N SER A 123 7.182 1.615 -14.748 1.00 0.99 N ATOM 1134 CA SER A 123 7.459 0.862 -15.967 1.00 1.15 C ATOM 1135 C SER A 123 7.572 -0.634 -15.685 1.00 1.04 C ATOM 1136 O SER A 123 7.266 -1.462 -16.544 1.00 1.27 O ATOM 1137 CB SER A 123 8.749 1.363 -16.619 1.00 1.31 C ATOM 1138 OG SER A 123 9.028 0.653 -17.812 1.00 1.72 O ATOM 0 H SER A 123 7.986 2.114 -14.369 1.00 0.99 H new ATOM 0 HA SER A 123 6.623 1.019 -16.649 1.00 1.15 H new ATOM 0 HB2 SER A 123 8.660 2.427 -16.838 1.00 1.31 H new ATOM 0 HB3 SER A 123 9.580 1.250 -15.922 1.00 1.31 H new ATOM 0 HG SER A 123 9.857 0.994 -18.209 1.00 1.72 H new ATOM 1144 N GLY A 124 8.010 -0.974 -14.480 1.00 0.83 N ATOM 1145 CA GLY A 124 8.160 -2.370 -14.112 1.00 0.82 C ATOM 1146 C GLY A 124 9.581 -2.720 -13.704 1.00 0.79 C ATOM 1147 O GLY A 124 9.922 -3.895 -13.571 1.00 0.99 O ATOM 0 H GLY A 124 8.264 -0.309 -13.750 1.00 0.83 H new ATOM 0 HA2 GLY A 124 7.483 -2.599 -13.289 1.00 0.82 H new ATOM 0 HA3 GLY A 124 7.863 -2.997 -14.953 1.00 0.82 H new ATOM 1151 N LYS A 125 10.411 -1.698 -13.508 1.00 0.72 N ATOM 1152 CA LYS A 125 11.794 -1.886 -13.115 1.00 0.80 C ATOM 1153 C LYS A 125 11.929 -2.865 -11.954 1.00 0.77 C ATOM 1154 O LYS A 125 12.483 -3.951 -12.111 1.00 1.29 O ATOM 1155 CB LYS A 125 12.383 -0.541 -12.704 1.00 0.89 C ATOM 1156 CG LYS A 125 13.876 -0.586 -12.495 1.00 1.16 C ATOM 1157 CD LYS A 125 14.366 0.588 -11.662 1.00 1.00 C ATOM 1158 CE LYS A 125 13.886 1.915 -12.225 1.00 1.27 C ATOM 1159 NZ LYS A 125 14.389 2.151 -13.605 1.00 1.47 N ATOM 0 H LYS A 125 10.139 -0.721 -13.618 1.00 0.72 H new ATOM 0 HA LYS A 125 12.331 -2.301 -13.968 1.00 0.80 H new ATOM 0 HB2 LYS A 125 12.152 0.199 -13.470 1.00 0.89 H new ATOM 0 HB3 LYS A 125 11.904 -0.207 -11.784 1.00 0.89 H new ATOM 0 HG2 LYS A 125 14.146 -1.520 -12.001 1.00 1.16 H new ATOM 0 HG3 LYS A 125 14.379 -0.580 -13.462 1.00 1.16 H new ATOM 0 HD2 LYS A 125 14.013 0.479 -10.636 1.00 1.00 H new ATOM 0 HD3 LYS A 125 15.455 0.580 -11.627 1.00 1.00 H new ATOM 0 HE2 LYS A 125 12.796 1.934 -12.228 1.00 1.27 H new ATOM 0 HE3 LYS A 125 14.217 2.725 -11.575 1.00 1.27 H new ATOM 0 HZ1 LYS A 125 14.095 3.096 -13.925 1.00 1.47 H new ATOM 0 HZ2 LYS A 125 15.427 2.091 -13.611 1.00 1.47 H new ATOM 0 HZ3 LYS A 125 13.997 1.431 -14.245 1.00 1.47 H new ATOM 1173 N VAL A 126 11.420 -2.447 -10.795 1.00 0.62 N ATOM 1174 CA VAL A 126 11.474 -3.226 -9.554 1.00 0.50 C ATOM 1175 C VAL A 126 12.689 -2.820 -8.735 1.00 0.55 C ATOM 1176 O VAL A 126 13.775 -3.380 -8.881 1.00 0.70 O ATOM 1177 CB VAL A 126 11.495 -4.754 -9.776 1.00 0.54 C ATOM 1178 CG1 VAL A 126 11.473 -5.481 -8.441 1.00 0.51 C ATOM 1179 CG2 VAL A 126 10.321 -5.184 -10.637 1.00 0.55 C ATOM 0 H VAL A 126 10.952 -1.547 -10.688 1.00 0.62 H new ATOM 0 HA VAL A 126 10.553 -2.999 -9.018 1.00 0.50 H new ATOM 0 HB VAL A 126 12.415 -5.016 -10.298 1.00 0.54 H new ATOM 0 HG11 VAL A 126 11.488 -6.557 -8.613 1.00 0.51 H new ATOM 0 HG12 VAL A 126 12.347 -5.194 -7.856 1.00 0.51 H new ATOM 0 HG13 VAL A 126 10.568 -5.213 -7.896 1.00 0.51 H new ATOM 0 HG21 VAL A 126 10.353 -6.264 -10.782 1.00 0.55 H new ATOM 0 HG22 VAL A 126 9.388 -4.912 -10.143 1.00 0.55 H new ATOM 0 HG23 VAL A 126 10.378 -4.686 -11.605 1.00 0.55 H new ATOM 1189 N GLN A 127 12.484 -1.833 -7.873 1.00 0.52 N ATOM 1190 CA GLN A 127 13.545 -1.310 -7.025 1.00 0.57 C ATOM 1191 C GLN A 127 14.017 -2.339 -6.006 1.00 0.53 C ATOM 1192 O GLN A 127 15.205 -2.657 -5.944 1.00 0.57 O ATOM 1193 CB GLN A 127 13.074 -0.045 -6.303 1.00 0.61 C ATOM 1194 CG GLN A 127 13.060 1.193 -7.185 1.00 0.92 C ATOM 1195 CD GLN A 127 12.148 1.046 -8.387 1.00 1.06 C ATOM 1196 OE1 GLN A 127 11.151 0.328 -8.337 1.00 1.76 O ATOM 1197 NE2 GLN A 127 12.484 1.728 -9.474 1.00 1.11 N ATOM 0 H GLN A 127 11.582 -1.375 -7.743 1.00 0.52 H new ATOM 0 HA GLN A 127 14.388 -1.068 -7.672 1.00 0.57 H new ATOM 0 HB2 GLN A 127 12.071 -0.213 -5.912 1.00 0.61 H new ATOM 0 HB3 GLN A 127 13.723 0.137 -5.447 1.00 0.61 H new ATOM 0 HG2 GLN A 127 12.740 2.051 -6.594 1.00 0.92 H new ATOM 0 HG3 GLN A 127 14.074 1.402 -7.527 1.00 0.92 H new ATOM 0 HE21 GLN A 127 13.320 2.312 -9.471 1.00 1.11 H new ATOM 0 HE22 GLN A 127 11.906 1.668 -10.312 1.00 1.11 H new ATOM 1206 N GLU A 128 13.094 -2.863 -5.202 1.00 0.51 N ATOM 1207 CA GLU A 128 13.471 -3.835 -4.179 1.00 0.52 C ATOM 1208 C GLU A 128 12.681 -5.135 -4.264 1.00 0.42 C ATOM 1209 O GLU A 128 11.457 -5.148 -4.137 1.00 0.56 O ATOM 1210 CB GLU A 128 13.293 -3.236 -2.785 1.00 0.61 C ATOM 1211 CG GLU A 128 13.707 -1.780 -2.689 1.00 0.71 C ATOM 1212 CD GLU A 128 13.765 -1.285 -1.258 1.00 1.06 C ATOM 1213 OE1 GLU A 128 14.788 -1.533 -0.584 1.00 1.40 O ATOM 1214 OE2 GLU A 128 12.789 -0.648 -0.810 1.00 1.56 O ATOM 0 H GLU A 128 12.100 -2.637 -5.237 1.00 0.51 H new ATOM 0 HA GLU A 128 14.518 -4.075 -4.362 1.00 0.52 H new ATOM 0 HB2 GLU A 128 12.247 -3.327 -2.491 1.00 0.61 H new ATOM 0 HB3 GLU A 128 13.877 -3.818 -2.072 1.00 0.61 H new ATOM 0 HG2 GLU A 128 14.685 -1.652 -3.154 1.00 0.71 H new ATOM 0 HG3 GLU A 128 13.003 -1.168 -3.253 1.00 0.71 H new ATOM 1221 N THR A 129 13.406 -6.225 -4.476 1.00 0.41 N ATOM 1222 CA THR A 129 12.814 -7.554 -4.532 1.00 0.30 C ATOM 1223 C THR A 129 13.384 -8.407 -3.403 1.00 0.29 C ATOM 1224 O THR A 129 14.538 -8.833 -3.459 1.00 0.36 O ATOM 1225 CB THR A 129 13.083 -8.247 -5.881 1.00 0.33 C ATOM 1226 OG1 THR A 129 12.639 -7.412 -6.958 1.00 0.39 O ATOM 1227 CG2 THR A 129 12.378 -9.593 -5.954 1.00 0.29 C ATOM 0 H THR A 129 14.417 -6.213 -4.613 1.00 0.41 H new ATOM 0 HA THR A 129 11.735 -7.445 -4.422 1.00 0.30 H new ATOM 0 HB THR A 129 14.157 -8.414 -5.968 1.00 0.33 H new ATOM 0 HG1 THR A 129 13.083 -7.685 -7.788 1.00 0.39 H new ATOM 0 HG21 THR A 129 12.585 -10.060 -6.917 1.00 0.29 H new ATOM 0 HG22 THR A 129 12.740 -10.237 -5.153 1.00 0.29 H new ATOM 0 HG23 THR A 129 11.303 -9.447 -5.845 1.00 0.29 H new ATOM 1235 N LEU A 130 12.574 -8.655 -2.381 1.00 0.27 N ATOM 1236 CA LEU A 130 13.024 -9.424 -1.226 1.00 0.30 C ATOM 1237 C LEU A 130 12.123 -10.629 -0.975 1.00 0.27 C ATOM 1238 O LEU A 130 10.898 -10.507 -0.953 1.00 0.30 O ATOM 1239 CB LEU A 130 13.042 -8.525 0.012 1.00 0.38 C ATOM 1240 CG LEU A 130 13.464 -7.077 -0.252 1.00 0.45 C ATOM 1241 CD1 LEU A 130 13.272 -6.225 0.992 1.00 0.55 C ATOM 1242 CD2 LEU A 130 14.912 -7.020 -0.720 1.00 0.52 C ATOM 0 H LEU A 130 11.606 -8.337 -2.328 1.00 0.27 H new ATOM 0 HA LEU A 130 14.029 -9.792 -1.432 1.00 0.30 H new ATOM 0 HB2 LEU A 130 12.047 -8.523 0.457 1.00 0.38 H new ATOM 0 HB3 LEU A 130 13.720 -8.958 0.748 1.00 0.38 H new ATOM 0 HG LEU A 130 12.830 -6.675 -1.042 1.00 0.45 H new ATOM 0 HD11 LEU A 130 13.578 -5.200 0.782 1.00 0.55 H new ATOM 0 HD12 LEU A 130 12.222 -6.238 1.283 1.00 0.55 H new ATOM 0 HD13 LEU A 130 13.878 -6.625 1.804 1.00 0.55 H new ATOM 0 HD21 LEU A 130 15.195 -5.983 -0.903 1.00 0.52 H new ATOM 0 HD22 LEU A 130 15.560 -7.443 0.048 1.00 0.52 H new ATOM 0 HD23 LEU A 130 15.020 -7.593 -1.641 1.00 0.52 H new ATOM 1254 N SER A 131 12.736 -11.796 -0.790 1.00 0.28 N ATOM 1255 CA SER A 131 11.984 -13.019 -0.533 1.00 0.29 C ATOM 1256 C SER A 131 11.428 -13.009 0.886 1.00 0.34 C ATOM 1257 O SER A 131 12.164 -12.797 1.850 1.00 0.67 O ATOM 1258 CB SER A 131 12.869 -14.248 -0.746 1.00 0.35 C ATOM 1259 OG SER A 131 12.160 -15.443 -0.470 1.00 0.68 O ATOM 0 H SER A 131 13.748 -11.919 -0.813 1.00 0.28 H new ATOM 0 HA SER A 131 11.152 -13.066 -1.235 1.00 0.29 H new ATOM 0 HB2 SER A 131 13.230 -14.266 -1.774 1.00 0.35 H new ATOM 0 HB3 SER A 131 13.745 -14.185 -0.101 1.00 0.35 H new ATOM 0 HG SER A 131 12.748 -16.213 -0.616 1.00 0.68 H new ATOM 1265 N ILE A 132 10.127 -13.243 1.009 1.00 0.31 N ATOM 1266 CA ILE A 132 9.472 -13.240 2.310 1.00 0.32 C ATOM 1267 C ILE A 132 9.026 -14.637 2.731 1.00 0.38 C ATOM 1268 O ILE A 132 7.991 -14.799 3.376 1.00 0.82 O ATOM 1269 CB ILE A 132 8.252 -12.303 2.303 1.00 0.29 C ATOM 1270 CG1 ILE A 132 7.268 -12.725 1.210 1.00 0.37 C ATOM 1271 CG2 ILE A 132 8.700 -10.862 2.098 1.00 0.38 C ATOM 1272 CD1 ILE A 132 6.026 -11.866 1.150 1.00 0.49 C ATOM 0 H ILE A 132 9.506 -13.437 0.224 1.00 0.31 H new ATOM 0 HA ILE A 132 10.208 -12.883 3.030 1.00 0.32 H new ATOM 0 HB ILE A 132 7.746 -12.373 3.266 1.00 0.29 H new ATOM 0 HG12 ILE A 132 7.772 -12.688 0.244 1.00 0.37 H new ATOM 0 HG13 ILE A 132 6.975 -13.762 1.377 1.00 0.37 H new ATOM 0 HG21 ILE A 132 7.829 -10.207 2.095 1.00 0.38 H new ATOM 0 HG22 ILE A 132 9.370 -10.571 2.907 1.00 0.38 H new ATOM 0 HG23 ILE A 132 9.223 -10.775 1.145 1.00 0.38 H new ATOM 0 HD11 ILE A 132 5.375 -12.223 0.352 1.00 0.49 H new ATOM 0 HD12 ILE A 132 5.498 -11.922 2.102 1.00 0.49 H new ATOM 0 HD13 ILE A 132 6.308 -10.832 0.952 1.00 0.49 H new ATOM 1284 N THR A 133 9.811 -15.645 2.363 1.00 0.43 N ATOM 1285 CA THR A 133 9.498 -17.023 2.721 1.00 0.42 C ATOM 1286 C THR A 133 9.944 -17.346 4.151 1.00 0.59 C ATOM 1287 O THR A 133 9.728 -18.455 4.639 1.00 0.91 O ATOM 1288 CB THR A 133 10.167 -18.016 1.754 1.00 0.35 C ATOM 1289 OG1 THR A 133 11.591 -17.969 1.908 1.00 0.44 O ATOM 1290 CG2 THR A 133 9.800 -17.694 0.313 1.00 0.42 C ATOM 0 H THR A 133 10.666 -15.533 1.818 1.00 0.43 H new ATOM 0 HA THR A 133 8.415 -17.126 2.653 1.00 0.42 H new ATOM 0 HB THR A 133 9.809 -19.018 1.992 1.00 0.35 H new ATOM 0 HG1 THR A 133 12.008 -18.605 1.290 1.00 0.44 H new ATOM 0 HG21 THR A 133 10.283 -18.408 -0.354 1.00 0.42 H new ATOM 0 HG22 THR A 133 8.719 -17.757 0.190 1.00 0.42 H new ATOM 0 HG23 THR A 133 10.134 -16.686 0.069 1.00 0.42 H new ATOM 1298 N LYS A 134 10.567 -16.374 4.817 1.00 0.54 N ATOM 1299 CA LYS A 134 11.044 -16.554 6.183 1.00 0.71 C ATOM 1300 C LYS A 134 11.667 -15.261 6.703 1.00 0.81 C ATOM 1301 O LYS A 134 11.541 -14.932 7.882 1.00 1.49 O ATOM 1302 CB LYS A 134 12.077 -17.687 6.262 1.00 0.78 C ATOM 1303 CG LYS A 134 12.656 -18.113 4.919 1.00 1.11 C ATOM 1304 CD LYS A 134 14.090 -18.597 5.059 1.00 1.54 C ATOM 1305 CE LYS A 134 15.041 -17.439 5.317 1.00 1.87 C ATOM 1306 NZ LYS A 134 16.454 -17.894 5.429 1.00 2.49 N ATOM 0 H LYS A 134 10.753 -15.450 4.428 1.00 0.54 H new ATOM 0 HA LYS A 134 10.187 -16.818 6.802 1.00 0.71 H new ATOM 0 HB2 LYS A 134 12.894 -17.371 6.911 1.00 0.78 H new ATOM 0 HB3 LYS A 134 11.612 -18.553 6.733 1.00 0.78 H new ATOM 0 HG2 LYS A 134 12.043 -18.907 4.493 1.00 1.11 H new ATOM 0 HG3 LYS A 134 12.620 -17.274 4.224 1.00 1.11 H new ATOM 0 HD2 LYS A 134 14.156 -19.314 5.878 1.00 1.54 H new ATOM 0 HD3 LYS A 134 14.389 -19.121 4.151 1.00 1.54 H new ATOM 0 HE2 LYS A 134 14.957 -16.713 4.508 1.00 1.87 H new ATOM 0 HE3 LYS A 134 14.750 -16.928 6.235 1.00 1.87 H new ATOM 0 HZ1 LYS A 134 17.070 -17.074 5.605 1.00 2.49 H new ATOM 0 HZ2 LYS A 134 16.540 -18.567 6.217 1.00 2.49 H new ATOM 0 HZ3 LYS A 134 16.740 -18.359 4.544 1.00 2.49 H new ATOM 1320 N TRP A 135 12.347 -14.553 5.796 1.00 0.65 N ATOM 1321 CA TRP A 135 13.018 -13.277 6.078 1.00 0.69 C ATOM 1322 C TRP A 135 12.508 -12.567 7.335 1.00 0.84 C ATOM 1323 O TRP A 135 13.256 -12.393 8.298 1.00 1.14 O ATOM 1324 CB TRP A 135 12.861 -12.351 4.874 1.00 0.85 C ATOM 1325 CG TRP A 135 14.134 -11.678 4.484 1.00 0.72 C ATOM 1326 CD1 TRP A 135 15.372 -12.244 4.436 1.00 0.87 C ATOM 1327 CD2 TRP A 135 14.296 -10.315 4.082 1.00 0.66 C ATOM 1328 NE1 TRP A 135 16.301 -11.314 4.037 1.00 0.95 N ATOM 1329 CE2 TRP A 135 15.664 -10.120 3.811 1.00 0.86 C ATOM 1330 CE3 TRP A 135 13.418 -9.239 3.924 1.00 0.63 C ATOM 1331 CZ2 TRP A 135 16.173 -8.894 3.394 1.00 1.06 C ATOM 1332 CZ3 TRP A 135 13.923 -8.022 3.509 1.00 0.80 C ATOM 1333 CH2 TRP A 135 15.290 -7.858 3.247 1.00 1.03 C ATOM 0 H TRP A 135 12.449 -14.855 4.827 1.00 0.65 H new ATOM 0 HA TRP A 135 14.065 -13.513 6.265 1.00 0.69 H new ATOM 0 HB2 TRP A 135 12.487 -12.926 4.027 1.00 0.85 H new ATOM 0 HB3 TRP A 135 12.111 -11.593 5.101 1.00 0.85 H new ATOM 0 HD1 TRP A 135 15.591 -13.274 4.677 1.00 0.87 H new ATOM 0 HE1 TRP A 135 17.301 -11.483 3.927 1.00 0.95 H new ATOM 0 HE3 TRP A 135 12.363 -9.357 4.123 1.00 0.63 H new ATOM 0 HZ2 TRP A 135 17.226 -8.764 3.194 1.00 1.06 H new ATOM 0 HZ3 TRP A 135 13.254 -7.184 3.384 1.00 0.80 H new ATOM 0 HH2 TRP A 135 15.654 -6.895 2.922 1.00 1.03 H new ATOM 1344 N ASN A 136 11.243 -12.154 7.329 1.00 0.77 N ATOM 1345 CA ASN A 136 10.684 -11.448 8.479 1.00 0.99 C ATOM 1346 C ASN A 136 9.177 -11.652 8.611 1.00 0.71 C ATOM 1347 O ASN A 136 8.678 -11.838 9.720 1.00 0.76 O ATOM 1348 CB ASN A 136 10.993 -9.951 8.369 1.00 1.35 C ATOM 1349 CG ASN A 136 10.485 -9.158 9.559 1.00 1.29 C ATOM 1350 OD1 ASN A 136 9.509 -9.537 10.206 1.00 1.94 O ATOM 1351 ND2 ASN A 136 11.146 -8.043 9.852 1.00 1.38 N ATOM 0 H ASN A 136 10.594 -12.293 6.554 1.00 0.77 H new ATOM 0 HA ASN A 136 11.150 -11.864 9.372 1.00 0.99 H new ATOM 0 HB2 ASN A 136 12.070 -9.812 8.279 1.00 1.35 H new ATOM 0 HB3 ASN A 136 10.544 -9.558 7.457 1.00 1.35 H new ATOM 0 HD21 ASN A 136 10.849 -7.466 10.639 1.00 1.38 H new ATOM 0 HD22 ASN A 136 11.950 -7.764 9.290 1.00 1.38 H new ATOM 1358 N THR A 137 8.465 -11.610 7.482 1.00 0.53 N ATOM 1359 CA THR A 137 7.006 -11.764 7.465 1.00 0.44 C ATOM 1360 C THR A 137 6.349 -10.815 8.467 1.00 0.40 C ATOM 1361 O THR A 137 7.037 -10.179 9.261 1.00 0.38 O ATOM 1362 CB THR A 137 6.561 -13.219 7.746 1.00 0.66 C ATOM 1363 OG1 THR A 137 5.166 -13.369 7.448 1.00 0.96 O ATOM 1364 CG2 THR A 137 6.812 -13.617 9.192 1.00 0.69 C ATOM 0 H THR A 137 8.878 -11.469 6.560 1.00 0.53 H new ATOM 0 HA THR A 137 6.677 -11.509 6.457 1.00 0.44 H new ATOM 0 HB THR A 137 7.153 -13.873 7.106 1.00 0.66 H new ATOM 0 HG1 THR A 137 4.891 -14.293 7.626 1.00 0.96 H new ATOM 0 HG21 THR A 137 6.486 -14.645 9.348 1.00 0.69 H new ATOM 0 HG22 THR A 137 7.877 -13.536 9.412 1.00 0.69 H new ATOM 0 HG23 THR A 137 6.254 -12.955 9.854 1.00 0.69 H new ATOM 1372 N ASP A 138 5.021 -10.711 8.419 1.00 0.41 N ATOM 1373 CA ASP A 138 4.294 -9.817 9.323 1.00 0.41 C ATOM 1374 C ASP A 138 4.762 -8.375 9.127 1.00 0.35 C ATOM 1375 O ASP A 138 4.104 -7.577 8.448 1.00 0.35 O ATOM 1376 CB ASP A 138 4.492 -10.251 10.777 1.00 0.45 C ATOM 1377 CG ASP A 138 3.849 -9.291 11.759 1.00 1.21 C ATOM 1378 OD1 ASP A 138 2.654 -9.476 12.074 1.00 1.97 O ATOM 1379 OD2 ASP A 138 4.540 -8.355 12.213 1.00 1.91 O ATOM 0 H ASP A 138 4.430 -11.230 7.770 1.00 0.41 H new ATOM 0 HA ASP A 138 3.231 -9.873 9.089 1.00 0.41 H new ATOM 0 HB2 ASP A 138 4.070 -11.246 10.917 1.00 0.45 H new ATOM 0 HB3 ASP A 138 5.559 -10.324 10.990 1.00 0.45 H new ATOM 1384 N THR A 139 5.907 -8.037 9.723 1.00 0.34 N ATOM 1385 CA THR A 139 6.474 -6.704 9.572 1.00 0.33 C ATOM 1386 C THR A 139 6.527 -6.341 8.092 1.00 0.31 C ATOM 1387 O THR A 139 6.512 -5.166 7.724 1.00 0.34 O ATOM 1388 CB THR A 139 7.891 -6.614 10.172 1.00 0.36 C ATOM 1389 OG1 THR A 139 7.852 -6.918 11.572 1.00 1.01 O ATOM 1390 CG2 THR A 139 8.480 -5.225 9.967 1.00 0.98 C ATOM 0 H THR A 139 6.454 -8.667 10.310 1.00 0.34 H new ATOM 0 HA THR A 139 5.836 -6.005 10.112 1.00 0.33 H new ATOM 0 HB THR A 139 8.523 -7.339 9.660 1.00 0.36 H new ATOM 0 HG1 THR A 139 8.757 -6.860 11.945 1.00 1.01 H new ATOM 0 HG21 THR A 139 9.480 -5.186 10.399 1.00 0.98 H new ATOM 0 HG22 THR A 139 8.537 -5.008 8.900 1.00 0.98 H new ATOM 0 HG23 THR A 139 7.845 -4.485 10.455 1.00 0.98 H new ATOM 1398 N VAL A 140 6.595 -7.371 7.244 1.00 0.31 N ATOM 1399 CA VAL A 140 6.611 -7.171 5.807 1.00 0.31 C ATOM 1400 C VAL A 140 5.349 -6.439 5.384 1.00 0.30 C ATOM 1401 O VAL A 140 5.393 -5.504 4.587 1.00 0.31 O ATOM 1402 CB VAL A 140 6.703 -8.506 5.049 1.00 0.33 C ATOM 1403 CG1 VAL A 140 5.534 -9.409 5.407 1.00 0.33 C ATOM 1404 CG2 VAL A 140 6.759 -8.262 3.550 1.00 0.36 C ATOM 0 H VAL A 140 6.640 -8.348 7.535 1.00 0.31 H new ATOM 0 HA VAL A 140 7.493 -6.580 5.560 1.00 0.31 H new ATOM 0 HB VAL A 140 7.622 -9.010 5.348 1.00 0.33 H new ATOM 0 HG11 VAL A 140 5.619 -10.348 4.860 1.00 0.33 H new ATOM 0 HG12 VAL A 140 5.545 -9.611 6.478 1.00 0.33 H new ATOM 0 HG13 VAL A 140 4.599 -8.917 5.140 1.00 0.33 H new ATOM 0 HG21 VAL A 140 6.824 -9.217 3.028 1.00 0.36 H new ATOM 0 HG22 VAL A 140 5.859 -7.736 3.233 1.00 0.36 H new ATOM 0 HG23 VAL A 140 7.635 -7.658 3.312 1.00 0.36 H new ATOM 1414 N GLU A 141 4.213 -6.872 5.930 1.00 0.29 N ATOM 1415 CA GLU A 141 2.938 -6.228 5.633 1.00 0.29 C ATOM 1416 C GLU A 141 3.068 -4.734 5.880 1.00 0.27 C ATOM 1417 O GLU A 141 2.535 -3.910 5.136 1.00 0.27 O ATOM 1418 CB GLU A 141 1.825 -6.806 6.508 1.00 0.33 C ATOM 1419 CG GLU A 141 0.472 -6.151 6.279 1.00 0.32 C ATOM 1420 CD GLU A 141 -0.589 -6.649 7.241 1.00 0.36 C ATOM 1421 OE1 GLU A 141 -0.467 -6.374 8.454 1.00 0.58 O ATOM 1422 OE2 GLU A 141 -1.544 -7.311 6.783 1.00 0.47 O ATOM 0 H GLU A 141 4.151 -7.660 6.575 1.00 0.29 H new ATOM 0 HA GLU A 141 2.680 -6.410 4.590 1.00 0.29 H new ATOM 0 HB2 GLU A 141 1.740 -7.875 6.314 1.00 0.33 H new ATOM 0 HB3 GLU A 141 2.102 -6.693 7.556 1.00 0.33 H new ATOM 0 HG2 GLU A 141 0.573 -5.071 6.384 1.00 0.32 H new ATOM 0 HG3 GLU A 141 0.148 -6.343 5.256 1.00 0.32 H new ATOM 1429 N GLU A 142 3.793 -4.403 6.943 1.00 0.27 N ATOM 1430 CA GLU A 142 4.042 -3.011 7.295 1.00 0.28 C ATOM 1431 C GLU A 142 4.992 -2.386 6.284 1.00 0.25 C ATOM 1432 O GLU A 142 4.932 -1.189 6.003 1.00 0.26 O ATOM 1433 CB GLU A 142 4.648 -2.913 8.694 1.00 0.34 C ATOM 1434 CG GLU A 142 4.941 -1.490 9.128 1.00 0.39 C ATOM 1435 CD GLU A 142 5.572 -1.416 10.505 1.00 0.48 C ATOM 1436 OE1 GLU A 142 6.767 -1.759 10.629 1.00 0.84 O ATOM 1437 OE2 GLU A 142 4.872 -1.015 11.459 1.00 0.86 O ATOM 0 H GLU A 142 4.218 -5.080 7.576 1.00 0.27 H new ATOM 0 HA GLU A 142 3.093 -2.475 7.284 1.00 0.28 H new ATOM 0 HB2 GLU A 142 3.965 -3.369 9.410 1.00 0.34 H new ATOM 0 HB3 GLU A 142 5.572 -3.491 8.722 1.00 0.34 H new ATOM 0 HG2 GLU A 142 5.607 -1.023 8.402 1.00 0.39 H new ATOM 0 HG3 GLU A 142 4.014 -0.916 9.126 1.00 0.39 H new ATOM 1444 N PHE A 143 5.878 -3.215 5.744 1.00 0.24 N ATOM 1445 CA PHE A 143 6.846 -2.768 4.744 1.00 0.24 C ATOM 1446 C PHE A 143 6.158 -1.934 3.674 1.00 0.22 C ATOM 1447 O PHE A 143 6.621 -0.851 3.314 1.00 0.27 O ATOM 1448 CB PHE A 143 7.525 -3.973 4.093 1.00 0.25 C ATOM 1449 CG PHE A 143 8.777 -3.626 3.342 1.00 0.28 C ATOM 1450 CD1 PHE A 143 9.727 -2.786 3.901 1.00 0.58 C ATOM 1451 CD2 PHE A 143 9.000 -4.137 2.075 1.00 0.64 C ATOM 1452 CE1 PHE A 143 10.879 -2.464 3.207 1.00 0.61 C ATOM 1453 CE2 PHE A 143 10.149 -3.817 1.376 1.00 0.68 C ATOM 1454 CZ PHE A 143 11.089 -2.979 1.943 1.00 0.40 C ATOM 0 H PHE A 143 5.948 -4.204 5.982 1.00 0.24 H new ATOM 0 HA PHE A 143 7.597 -2.156 5.243 1.00 0.24 H new ATOM 0 HB2 PHE A 143 7.765 -4.704 4.865 1.00 0.25 H new ATOM 0 HB3 PHE A 143 6.822 -4.450 3.410 1.00 0.25 H new ATOM 0 HD1 PHE A 143 9.566 -2.379 4.888 1.00 0.58 H new ATOM 0 HD2 PHE A 143 8.268 -4.793 1.627 1.00 0.64 H new ATOM 0 HE1 PHE A 143 11.614 -1.810 3.653 1.00 0.61 H new ATOM 0 HE2 PHE A 143 10.311 -4.222 0.388 1.00 0.68 H new ATOM 0 HZ PHE A 143 11.987 -2.727 1.399 1.00 0.40 H new ATOM 1464 N PHE A 144 5.047 -2.454 3.174 1.00 0.21 N ATOM 1465 CA PHE A 144 4.275 -1.772 2.142 1.00 0.23 C ATOM 1466 C PHE A 144 3.542 -0.554 2.704 1.00 0.24 C ATOM 1467 O PHE A 144 3.809 0.577 2.305 1.00 0.34 O ATOM 1468 CB PHE A 144 3.271 -2.734 1.505 1.00 0.24 C ATOM 1469 CG PHE A 144 3.913 -3.818 0.687 1.00 0.26 C ATOM 1470 CD1 PHE A 144 4.720 -3.501 -0.393 1.00 0.90 C ATOM 1471 CD2 PHE A 144 3.709 -5.153 0.998 1.00 0.91 C ATOM 1472 CE1 PHE A 144 5.313 -4.496 -1.149 1.00 0.93 C ATOM 1473 CE2 PHE A 144 4.298 -6.152 0.245 1.00 0.94 C ATOM 1474 CZ PHE A 144 5.101 -5.823 -0.830 1.00 0.42 C ATOM 0 H PHE A 144 4.657 -3.350 3.467 1.00 0.21 H new ATOM 0 HA PHE A 144 4.975 -1.426 1.382 1.00 0.23 H new ATOM 0 HB2 PHE A 144 2.670 -3.191 2.291 1.00 0.24 H new ATOM 0 HB3 PHE A 144 2.589 -2.167 0.871 1.00 0.24 H new ATOM 0 HD1 PHE A 144 4.888 -2.465 -0.648 1.00 0.90 H new ATOM 0 HD2 PHE A 144 3.083 -5.416 1.838 1.00 0.91 H new ATOM 0 HE1 PHE A 144 5.941 -4.235 -1.988 1.00 0.93 H new ATOM 0 HE2 PHE A 144 4.130 -7.189 0.497 1.00 0.94 H new ATOM 0 HZ PHE A 144 5.562 -6.602 -1.420 1.00 0.42 H new ATOM 1484 N GLU A 145 2.624 -0.785 3.640 1.00 0.22 N ATOM 1485 CA GLU A 145 1.850 0.306 4.231 1.00 0.27 C ATOM 1486 C GLU A 145 2.749 1.472 4.636 1.00 0.31 C ATOM 1487 O GLU A 145 2.307 2.620 4.688 1.00 0.39 O ATOM 1488 CB GLU A 145 1.051 -0.195 5.439 1.00 0.30 C ATOM 1489 CG GLU A 145 1.877 -0.388 6.702 1.00 0.27 C ATOM 1490 CD GLU A 145 1.917 0.859 7.567 1.00 0.45 C ATOM 1491 OE1 GLU A 145 2.752 1.745 7.291 1.00 1.22 O ATOM 1492 OE2 GLU A 145 1.117 0.946 8.521 1.00 0.87 O ATOM 0 H GLU A 145 2.398 -1.711 4.004 1.00 0.22 H new ATOM 0 HA GLU A 145 1.154 0.667 3.474 1.00 0.27 H new ATOM 0 HB2 GLU A 145 0.249 0.513 5.648 1.00 0.30 H new ATOM 0 HB3 GLU A 145 0.579 -1.143 5.180 1.00 0.30 H new ATOM 0 HG2 GLU A 145 1.463 -1.214 7.280 1.00 0.27 H new ATOM 0 HG3 GLU A 145 2.894 -0.669 6.428 1.00 0.27 H new ATOM 1499 N THR A 146 4.009 1.169 4.923 1.00 0.30 N ATOM 1500 CA THR A 146 4.971 2.193 5.323 1.00 0.39 C ATOM 1501 C THR A 146 5.707 2.778 4.121 1.00 0.38 C ATOM 1502 O THR A 146 5.658 3.986 3.882 1.00 0.58 O ATOM 1503 CB THR A 146 6.007 1.634 6.316 1.00 0.51 C ATOM 1504 OG1 THR A 146 6.671 0.499 5.748 1.00 0.99 O ATOM 1505 CG2 THR A 146 5.346 1.237 7.626 1.00 0.51 C ATOM 0 H THR A 146 4.390 0.224 4.887 1.00 0.30 H new ATOM 0 HA THR A 146 4.395 2.982 5.806 1.00 0.39 H new ATOM 0 HB THR A 146 6.737 2.417 6.520 1.00 0.51 H new ATOM 0 HG1 THR A 146 6.189 -0.318 5.993 1.00 0.99 H new ATOM 0 HG21 THR A 146 6.099 0.845 8.310 1.00 0.51 H new ATOM 0 HG22 THR A 146 4.870 2.110 8.072 1.00 0.51 H new ATOM 0 HG23 THR A 146 4.594 0.471 7.437 1.00 0.51 H new ATOM 1513 N HIS A 147 6.387 1.921 3.367 1.00 0.30 N ATOM 1514 CA HIS A 147 7.141 2.363 2.197 1.00 0.31 C ATOM 1515 C HIS A 147 6.220 2.855 1.083 1.00 0.30 C ATOM 1516 O HIS A 147 6.666 3.534 0.159 1.00 0.39 O ATOM 1517 CB HIS A 147 8.029 1.231 1.678 1.00 0.35 C ATOM 1518 CG HIS A 147 9.252 1.005 2.509 1.00 0.56 C ATOM 1519 ND1 HIS A 147 9.427 1.102 3.851 1.00 1.34 N flip ATOM 1520 CD2 HIS A 147 10.475 0.641 1.991 1.00 1.26 C flip ATOM 1521 CE1 HIS A 147 10.750 0.800 4.163 1.00 1.32 C flip ATOM 1522 NE2 HIS A 147 11.336 0.530 3.012 1.00 1.20 N flip ATOM 0 H HIS A 147 6.432 0.917 3.544 1.00 0.30 H new ATOM 0 HA HIS A 147 7.767 3.200 2.508 1.00 0.31 H new ATOM 0 HB2 HIS A 147 7.447 0.310 1.643 1.00 0.35 H new ATOM 0 HB3 HIS A 147 8.331 1.456 0.655 1.00 0.35 H new ATOM 0 HD2 HIS A 147 10.700 0.475 0.948 1.00 1.26 H new ATOM 0 HE1 HIS A 147 11.203 0.789 5.144 1.00 1.32 H new ATOM 0 HE2 HIS A 147 12.317 0.270 2.912 1.00 1.20 H new ATOM 1530 N LEU A 148 4.938 2.514 1.170 1.00 0.27 N ATOM 1531 CA LEU A 148 3.975 2.932 0.159 1.00 0.30 C ATOM 1532 C LEU A 148 3.251 4.198 0.590 1.00 0.31 C ATOM 1533 O LEU A 148 3.473 4.711 1.686 1.00 0.29 O ATOM 1534 CB LEU A 148 2.963 1.815 -0.130 1.00 0.35 C ATOM 1535 CG LEU A 148 3.559 0.483 -0.611 1.00 0.37 C ATOM 1536 CD1 LEU A 148 2.500 -0.357 -1.311 1.00 0.54 C ATOM 1537 CD2 LEU A 148 4.748 0.719 -1.534 1.00 0.44 C ATOM 0 H LEU A 148 4.544 1.953 1.925 1.00 0.27 H new ATOM 0 HA LEU A 148 4.526 3.144 -0.757 1.00 0.30 H new ATOM 0 HB2 LEU A 148 2.388 1.628 0.777 1.00 0.35 H new ATOM 0 HB3 LEU A 148 2.262 2.172 -0.885 1.00 0.35 H new ATOM 0 HG LEU A 148 3.911 -0.063 0.264 1.00 0.37 H new ATOM 0 HD11 LEU A 148 2.942 -1.296 -1.644 1.00 0.54 H new ATOM 0 HD12 LEU A 148 1.684 -0.565 -0.618 1.00 0.54 H new ATOM 0 HD13 LEU A 148 2.114 0.188 -2.172 1.00 0.54 H new ATOM 0 HD21 LEU A 148 5.151 -0.240 -1.860 1.00 0.44 H new ATOM 0 HD22 LEU A 148 4.426 1.292 -2.404 1.00 0.44 H new ATOM 0 HD23 LEU A 148 5.519 1.274 -1.000 1.00 0.44 H new ATOM 1549 N ALA A 149 2.385 4.696 -0.282 1.00 0.42 N ATOM 1550 CA ALA A 149 1.642 5.913 -0.003 1.00 0.48 C ATOM 1551 C ALA A 149 0.137 5.675 -0.056 1.00 0.62 C ATOM 1552 O ALA A 149 -0.414 5.346 -1.106 1.00 0.81 O ATOM 1553 CB ALA A 149 2.051 6.995 -0.986 1.00 0.59 C ATOM 0 H ALA A 149 2.181 4.275 -1.188 1.00 0.42 H new ATOM 0 HA ALA A 149 1.881 6.238 1.010 1.00 0.48 H new ATOM 0 HB1 ALA A 149 1.493 7.907 -0.776 1.00 0.59 H new ATOM 0 HB2 ALA A 149 3.119 7.192 -0.887 1.00 0.59 H new ATOM 0 HB3 ALA A 149 1.836 6.664 -2.002 1.00 0.59 H new ATOM 1559 N LYS A 150 -0.521 5.843 1.088 1.00 0.82 N ATOM 1560 CA LYS A 150 -1.962 5.648 1.179 1.00 1.02 C ATOM 1561 C LYS A 150 -2.708 6.762 0.454 1.00 1.37 C ATOM 1562 O LYS A 150 -3.361 7.595 1.082 1.00 1.93 O ATOM 1563 CB LYS A 150 -2.403 5.607 2.643 1.00 1.54 C ATOM 1564 CG LYS A 150 -1.621 4.622 3.493 1.00 2.05 C ATOM 1565 CD LYS A 150 -1.887 3.189 3.067 1.00 2.53 C ATOM 1566 CE LYS A 150 -1.286 2.198 4.051 1.00 3.44 C ATOM 1567 NZ LYS A 150 -1.845 2.368 5.422 1.00 3.94 N ATOM 0 H LYS A 150 -0.077 6.114 1.965 1.00 0.82 H new ATOM 0 HA LYS A 150 -2.202 4.697 0.703 1.00 1.02 H new ATOM 0 HB2 LYS A 150 -2.300 6.604 3.072 1.00 1.54 H new ATOM 0 HB3 LYS A 150 -3.461 5.349 2.687 1.00 1.54 H new ATOM 0 HG2 LYS A 150 -0.555 4.835 3.412 1.00 2.05 H new ATOM 0 HG3 LYS A 150 -1.893 4.748 4.541 1.00 2.05 H new ATOM 0 HD2 LYS A 150 -2.962 3.023 2.992 1.00 2.53 H new ATOM 0 HD3 LYS A 150 -1.468 3.019 2.075 1.00 2.53 H new ATOM 0 HE2 LYS A 150 -1.476 1.182 3.705 1.00 3.44 H new ATOM 0 HE3 LYS A 150 -0.204 2.327 4.081 1.00 3.44 H new ATOM 0 HZ1 LYS A 150 -1.687 1.499 5.971 1.00 3.94 H new ATOM 0 HZ2 LYS A 150 -1.373 3.166 5.893 1.00 3.94 H new ATOM 0 HZ3 LYS A 150 -2.866 2.558 5.360 1.00 3.94 H new ATOM 1581 N ASP A 151 -2.610 6.773 -0.871 1.00 1.77 N ATOM 1582 CA ASP A 151 -3.282 7.788 -1.675 1.00 2.55 C ATOM 1583 C ASP A 151 -4.754 7.901 -1.286 1.00 3.14 C ATOM 1584 O ASP A 151 -5.365 8.960 -1.426 1.00 3.61 O ATOM 1585 CB ASP A 151 -3.157 7.457 -3.163 1.00 3.23 C ATOM 1586 CG ASP A 151 -1.719 7.493 -3.642 1.00 3.60 C ATOM 1587 OD1 ASP A 151 -1.032 6.453 -3.539 1.00 4.15 O ATOM 1588 OD2 ASP A 151 -1.277 8.560 -4.117 1.00 3.82 O ATOM 0 H ASP A 151 -2.074 6.093 -1.410 1.00 1.77 H new ATOM 0 HA ASP A 151 -2.800 8.747 -1.484 1.00 2.55 H new ATOM 0 HB2 ASP A 151 -3.575 6.468 -3.349 1.00 3.23 H new ATOM 0 HB3 ASP A 151 -3.748 8.167 -3.742 1.00 3.23 H new ATOM 1593 N GLY A 152 -5.312 6.799 -0.794 1.00 3.70 N ATOM 1594 CA GLY A 152 -6.704 6.789 -0.382 1.00 4.64 C ATOM 1595 C GLY A 152 -7.665 6.738 -1.555 1.00 5.07 C ATOM 1596 O GLY A 152 -8.507 7.620 -1.713 1.00 4.98 O ATOM 0 H GLY A 152 -4.824 5.911 -0.673 1.00 3.70 H new ATOM 0 HA2 GLY A 152 -6.881 5.929 0.264 1.00 4.64 H new ATOM 0 HA3 GLY A 152 -6.909 7.680 0.211 1.00 4.64 H new ATOM 1600 N ALA A 153 -7.541 5.700 -2.376 1.00 5.91 N ATOM 1601 CA ALA A 153 -8.408 5.537 -3.536 1.00 6.67 C ATOM 1602 C ALA A 153 -8.216 6.668 -4.544 1.00 7.47 C ATOM 1603 O ALA A 153 -9.062 6.887 -5.410 1.00 7.95 O ATOM 1604 CB ALA A 153 -9.861 5.461 -3.097 1.00 7.12 C ATOM 0 H ALA A 153 -6.849 4.960 -2.259 1.00 5.91 H new ATOM 0 HA ALA A 153 -8.134 4.604 -4.030 1.00 6.67 H new ATOM 0 HB1 ALA A 153 -10.500 5.339 -3.972 1.00 7.12 H new ATOM 0 HB2 ALA A 153 -9.995 4.610 -2.429 1.00 7.12 H new ATOM 0 HB3 ALA A 153 -10.132 6.379 -2.575 1.00 7.12 H new ATOM 1610 N GLY A 154 -7.103 7.389 -4.427 1.00 7.87 N ATOM 1611 CA GLY A 154 -6.831 8.479 -5.345 1.00 8.80 C ATOM 1612 C GLY A 154 -6.336 7.978 -6.685 1.00 9.17 C ATOM 1613 O GLY A 154 -7.132 7.633 -7.558 1.00 9.41 O ATOM 0 H GLY A 154 -6.388 7.238 -3.715 1.00 7.87 H new ATOM 0 HA2 GLY A 154 -7.738 9.067 -5.489 1.00 8.80 H new ATOM 0 HA3 GLY A 154 -6.086 9.144 -4.908 1.00 8.80 H new ATOM 1617 N LYS A 155 -5.018 7.936 -6.850 1.00 9.48 N ATOM 1618 CA LYS A 155 -4.422 7.457 -8.090 1.00 10.11 C ATOM 1619 C LYS A 155 -4.784 8.367 -9.260 1.00 11.18 C ATOM 1620 O LYS A 155 -5.947 8.727 -9.442 1.00 11.63 O ATOM 1621 CB LYS A 155 -4.892 6.028 -8.366 1.00 9.88 C ATOM 1622 CG LYS A 155 -4.823 5.130 -7.141 1.00 9.22 C ATOM 1623 CD LYS A 155 -5.708 3.903 -7.293 1.00 8.96 C ATOM 1624 CE LYS A 155 -5.191 2.970 -8.376 1.00 9.65 C ATOM 1625 NZ LYS A 155 -3.818 2.475 -8.077 1.00 9.73 N ATOM 0 H LYS A 155 -4.344 8.227 -6.142 1.00 9.48 H new ATOM 0 HA LYS A 155 -3.338 7.467 -7.981 1.00 10.11 H new ATOM 0 HB2 LYS A 155 -5.918 6.054 -8.733 1.00 9.88 H new ATOM 0 HB3 LYS A 155 -4.281 5.598 -9.159 1.00 9.88 H new ATOM 0 HG2 LYS A 155 -3.792 4.817 -6.977 1.00 9.22 H new ATOM 0 HG3 LYS A 155 -5.129 5.693 -6.259 1.00 9.22 H new ATOM 0 HD2 LYS A 155 -5.756 3.369 -6.344 1.00 8.96 H new ATOM 0 HD3 LYS A 155 -6.724 4.214 -7.535 1.00 8.96 H new ATOM 0 HE2 LYS A 155 -5.868 2.122 -8.478 1.00 9.65 H new ATOM 0 HE3 LYS A 155 -5.188 3.492 -9.333 1.00 9.65 H new ATOM 0 HZ1 LYS A 155 -3.608 1.651 -8.676 1.00 9.73 H new ATOM 0 HZ2 LYS A 155 -3.128 3.228 -8.270 1.00 9.73 H new ATOM 0 HZ3 LYS A 155 -3.759 2.199 -7.076 1.00 9.73 H new ATOM 1639 N ASN A 156 -3.780 8.737 -10.050 1.00 11.74 N ATOM 1640 CA ASN A 156 -3.994 9.608 -11.200 1.00 12.86 C ATOM 1641 C ASN A 156 -4.714 8.867 -12.322 1.00 13.52 C ATOM 1642 O ASN A 156 -4.084 8.354 -13.246 1.00 13.66 O ATOM 1643 CB ASN A 156 -2.659 10.152 -11.712 1.00 13.35 C ATOM 1644 CG ASN A 156 -2.829 11.051 -12.921 1.00 14.26 C ATOM 1645 OD1 ASN A 156 -2.806 10.589 -14.061 1.00 14.73 O ATOM 1646 ND2 ASN A 156 -2.999 12.346 -12.677 1.00 14.65 N ATOM 0 H ASN A 156 -2.811 8.447 -9.915 1.00 11.74 H new ATOM 0 HA ASN A 156 -4.620 10.440 -10.878 1.00 12.86 H new ATOM 0 HB2 ASN A 156 -2.166 10.709 -10.915 1.00 13.35 H new ATOM 0 HB3 ASN A 156 -2.005 9.319 -11.971 1.00 13.35 H new ATOM 0 HD21 ASN A 156 -3.117 13.000 -13.451 1.00 14.65 H new ATOM 0 HD22 ASN A 156 -3.012 12.686 -11.716 1.00 14.65 H new ATOM 1653 N SER A 157 -6.038 8.815 -12.234 1.00 14.09 N ATOM 1654 CA SER A 157 -6.844 8.141 -13.244 1.00 14.90 C ATOM 1655 C SER A 157 -7.694 9.145 -14.013 1.00 15.71 C ATOM 1656 O SER A 157 -7.597 10.353 -13.792 1.00 15.75 O ATOM 1657 CB SER A 157 -7.743 7.087 -12.595 1.00 15.13 C ATOM 1658 OG SER A 157 -6.975 6.130 -11.886 1.00 15.56 O ATOM 0 H SER A 157 -6.576 9.231 -11.474 1.00 14.09 H new ATOM 0 HA SER A 157 -6.168 7.648 -13.943 1.00 14.90 H new ATOM 0 HB2 SER A 157 -8.444 7.571 -11.915 1.00 15.13 H new ATOM 0 HB3 SER A 157 -8.335 6.587 -13.362 1.00 15.13 H new ATOM 0 HG SER A 157 -7.572 5.468 -11.479 1.00 15.56 H new ATOM 1664 N TYR A 158 -8.526 8.644 -14.920 1.00 16.49 N ATOM 1665 CA TYR A 158 -9.390 9.505 -15.714 1.00 17.41 C ATOM 1666 C TYR A 158 -10.187 10.448 -14.819 1.00 17.54 C ATOM 1667 O TYR A 158 -10.678 10.050 -13.763 1.00 17.45 O ATOM 1668 CB TYR A 158 -10.339 8.667 -16.570 1.00 18.11 C ATOM 1669 CG TYR A 158 -10.963 7.512 -15.828 1.00 18.42 C ATOM 1670 CD1 TYR A 158 -12.106 7.704 -15.076 1.00 18.34 C ATOM 1671 CD2 TYR A 158 -10.413 6.237 -15.880 1.00 18.94 C ATOM 1672 CE1 TYR A 158 -12.694 6.661 -14.386 1.00 18.78 C ATOM 1673 CE2 TYR A 158 -10.992 5.185 -15.195 1.00 19.37 C ATOM 1674 CZ TYR A 158 -12.093 5.366 -14.474 1.00 19.29 C ATOM 1675 OH TYR A 158 -12.713 4.359 -13.766 1.00 19.84 O ATOM 0 H TYR A 158 -8.619 7.649 -15.122 1.00 16.49 H new ATOM 0 HA TYR A 158 -8.759 10.104 -16.371 1.00 17.41 H new ATOM 0 HB2 TYR A 158 -11.130 9.310 -16.955 1.00 18.11 H new ATOM 0 HB3 TYR A 158 -9.793 8.282 -17.431 1.00 18.11 H new ATOM 0 HD1 TYR A 158 -12.548 8.688 -15.026 1.00 18.34 H new ATOM 0 HD2 TYR A 158 -9.521 6.065 -16.464 1.00 18.94 H new ATOM 0 HE1 TYR A 158 -13.584 6.820 -13.796 1.00 18.78 H new ATOM 0 HE2 TYR A 158 -10.544 4.204 -15.247 1.00 19.37 H new ATOM 0 HH TYR A 158 -12.224 3.519 -13.895 1.00 19.84 H new ATOM 1685 N SER A 159 -10.305 11.700 -15.245 1.00 17.90 N ATOM 1686 CA SER A 159 -11.041 12.702 -14.480 1.00 18.20 C ATOM 1687 C SER A 159 -11.776 13.662 -15.409 1.00 18.97 C ATOM 1688 O SER A 159 -12.987 13.549 -15.605 1.00 19.04 O ATOM 1689 CB SER A 159 -10.089 13.483 -13.572 1.00 18.43 C ATOM 1690 OG SER A 159 -9.521 12.642 -12.584 1.00 17.86 O ATOM 0 H SER A 159 -9.901 12.046 -16.115 1.00 17.90 H new ATOM 0 HA SER A 159 -11.776 12.184 -13.864 1.00 18.20 H new ATOM 0 HB2 SER A 159 -9.297 13.932 -14.171 1.00 18.43 H new ATOM 0 HB3 SER A 159 -10.628 14.300 -13.092 1.00 18.43 H new ATOM 0 HG SER A 159 -8.914 12.001 -13.010 1.00 17.86 H new ATOM 1696 N VAL A 160 -11.035 14.606 -15.979 1.00 19.64 N ATOM 1697 CA VAL A 160 -11.613 15.588 -16.887 1.00 20.50 C ATOM 1698 C VAL A 160 -11.107 15.392 -18.310 1.00 21.04 C ATOM 1699 O VAL A 160 -10.312 14.493 -18.580 1.00 20.80 O ATOM 1700 CB VAL A 160 -11.297 17.025 -16.434 1.00 21.13 C ATOM 1701 CG1 VAL A 160 -11.936 17.311 -15.085 1.00 20.79 C ATOM 1702 CG2 VAL A 160 -9.793 17.247 -16.376 1.00 21.37 C ATOM 0 H VAL A 160 -10.032 14.711 -15.828 1.00 19.64 H new ATOM 0 HA VAL A 160 -12.692 15.437 -16.867 1.00 20.50 H new ATOM 0 HB VAL A 160 -11.716 17.718 -17.164 1.00 21.13 H new ATOM 0 HG11 VAL A 160 -11.702 18.331 -14.781 1.00 20.79 H new ATOM 0 HG12 VAL A 160 -13.017 17.194 -15.162 1.00 20.79 H new ATOM 0 HG13 VAL A 160 -11.548 16.613 -14.343 1.00 20.79 H new ATOM 0 HG21 VAL A 160 -9.588 18.268 -16.054 1.00 21.37 H new ATOM 0 HG22 VAL A 160 -9.349 16.547 -15.668 1.00 21.37 H new ATOM 0 HG23 VAL A 160 -9.363 17.085 -17.364 1.00 21.37 H new ATOM 1712 N VAL A 161 -11.575 16.242 -19.216 1.00 21.88 N ATOM 1713 CA VAL A 161 -11.179 16.171 -20.617 1.00 22.57 C ATOM 1714 C VAL A 161 -9.671 16.013 -20.762 1.00 23.48 C ATOM 1715 O VAL A 161 -8.898 16.874 -20.341 1.00 23.97 O ATOM 1716 CB VAL A 161 -11.625 17.419 -21.402 1.00 22.88 C ATOM 1717 CG1 VAL A 161 -11.182 17.325 -22.856 1.00 23.67 C ATOM 1718 CG2 VAL A 161 -13.133 17.598 -21.307 1.00 22.09 C ATOM 0 H VAL A 161 -12.233 16.992 -19.004 1.00 21.88 H new ATOM 0 HA VAL A 161 -11.677 15.294 -21.031 1.00 22.57 H new ATOM 0 HB VAL A 161 -11.149 18.293 -20.958 1.00 22.88 H new ATOM 0 HG11 VAL A 161 -11.507 18.216 -23.394 1.00 23.67 H new ATOM 0 HG12 VAL A 161 -10.096 17.250 -22.901 1.00 23.67 H new ATOM 0 HG13 VAL A 161 -11.626 16.442 -23.315 1.00 23.67 H new ATOM 0 HG21 VAL A 161 -13.430 18.484 -21.867 1.00 22.09 H new ATOM 0 HG22 VAL A 161 -13.630 16.722 -21.723 1.00 22.09 H new ATOM 0 HG23 VAL A 161 -13.420 17.716 -20.262 1.00 22.09 H new ATOM 1728 N GLU A 162 -9.268 14.905 -21.359 1.00 23.77 N ATOM 1729 CA GLU A 162 -7.862 14.626 -21.583 1.00 24.70 C ATOM 1730 C GLU A 162 -7.398 15.256 -22.891 1.00 25.59 C ATOM 1731 O GLU A 162 -8.199 15.821 -23.638 1.00 25.65 O ATOM 1732 CB GLU A 162 -7.627 13.116 -21.616 1.00 24.78 C ATOM 1733 CG GLU A 162 -8.189 12.389 -20.408 1.00 24.44 C ATOM 1734 CD GLU A 162 -7.978 10.889 -20.479 1.00 24.41 C ATOM 1735 OE1 GLU A 162 -8.816 10.200 -21.098 1.00 24.55 O ATOM 1736 OE2 GLU A 162 -6.974 10.404 -19.915 1.00 24.32 O ATOM 0 H GLU A 162 -9.900 14.180 -21.699 1.00 23.77 H new ATOM 0 HA GLU A 162 -7.286 15.057 -20.765 1.00 24.70 H new ATOM 0 HB2 GLU A 162 -8.078 12.706 -22.519 1.00 24.78 H new ATOM 0 HB3 GLU A 162 -6.556 12.924 -21.680 1.00 24.78 H new ATOM 0 HG2 GLU A 162 -7.718 12.776 -19.504 1.00 24.44 H new ATOM 0 HG3 GLU A 162 -9.256 12.599 -20.326 1.00 24.44 H new ATOM 1743 N ASP A 163 -6.104 15.162 -23.163 1.00 26.37 N ATOM 1744 CA ASP A 163 -5.536 15.720 -24.382 1.00 27.32 C ATOM 1745 C ASP A 163 -6.304 15.232 -25.606 1.00 27.97 C ATOM 1746 O ASP A 163 -6.083 14.121 -26.088 1.00 28.44 O ATOM 1747 CB ASP A 163 -4.061 15.335 -24.497 1.00 27.96 C ATOM 1748 CG ASP A 163 -3.444 15.774 -25.812 1.00 28.99 C ATOM 1749 OD1 ASP A 163 -2.938 16.914 -25.879 1.00 29.52 O ATOM 1750 OD2 ASP A 163 -3.467 14.977 -26.773 1.00 29.32 O ATOM 0 H ASP A 163 -5.426 14.703 -22.554 1.00 26.37 H new ATOM 0 HA ASP A 163 -5.617 16.806 -24.336 1.00 27.32 H new ATOM 0 HB2 ASP A 163 -3.507 15.783 -23.672 1.00 27.96 H new ATOM 0 HB3 ASP A 163 -3.963 14.254 -24.397 1.00 27.96 H new ATOM 1755 N ALA A 164 -7.206 16.070 -26.105 1.00 28.09 N ATOM 1756 CA ALA A 164 -8.009 15.722 -27.271 1.00 28.78 C ATOM 1757 C ALA A 164 -8.375 16.964 -28.078 1.00 29.49 C ATOM 1758 O ALA A 164 -8.311 18.085 -27.574 1.00 29.58 O ATOM 1759 CB ALA A 164 -9.265 14.981 -26.842 1.00 28.53 C ATOM 0 H ALA A 164 -7.399 16.995 -25.720 1.00 28.09 H new ATOM 0 HA ALA A 164 -7.414 15.069 -27.910 1.00 28.78 H new ATOM 0 HB1 ALA A 164 -9.856 14.727 -27.722 1.00 28.53 H new ATOM 0 HB2 ALA A 164 -8.987 14.068 -26.316 1.00 28.53 H new ATOM 0 HB3 ALA A 164 -9.854 15.616 -26.180 1.00 28.53 H new ATOM 1765 N ASP A 165 -8.760 16.754 -29.332 1.00 30.05 N ATOM 1766 CA ASP A 165 -9.140 17.855 -30.211 1.00 30.82 C ATOM 1767 C ASP A 165 -10.375 17.497 -31.029 1.00 31.48 C ATOM 1768 O ASP A 165 -10.310 16.675 -31.944 1.00 31.60 O ATOM 1769 CB ASP A 165 -7.982 18.214 -31.142 1.00 30.87 C ATOM 1770 CG ASP A 165 -8.350 19.303 -32.130 1.00 31.47 C ATOM 1771 OD1 ASP A 165 -8.348 20.488 -31.735 1.00 31.90 O ATOM 1772 OD2 ASP A 165 -8.642 18.972 -33.298 1.00 31.56 O ATOM 0 H ASP A 165 -8.817 15.831 -29.763 1.00 30.05 H new ATOM 0 HA ASP A 165 -9.377 18.718 -29.589 1.00 30.82 H new ATOM 0 HB2 ASP A 165 -7.129 18.540 -30.547 1.00 30.87 H new ATOM 0 HB3 ASP A 165 -7.668 17.324 -31.687 1.00 30.87 H new ATOM 1777 N GLY A 166 -11.501 18.119 -30.694 1.00 31.98 N ATOM 1778 CA GLY A 166 -12.736 17.853 -31.406 1.00 32.70 C ATOM 1779 C GLY A 166 -13.806 17.264 -30.508 1.00 33.18 C ATOM 1780 O GLY A 166 -14.215 17.886 -29.528 1.00 33.17 O ATOM 0 H GLY A 166 -11.579 18.803 -29.941 1.00 31.98 H new ATOM 0 HA2 GLY A 166 -13.105 18.779 -31.847 1.00 32.70 H new ATOM 0 HA3 GLY A 166 -12.537 17.166 -32.228 1.00 32.70 H new ATOM 1784 N ASP A 167 -14.258 16.061 -30.843 1.00 33.68 N ATOM 1785 CA ASP A 167 -15.286 15.384 -30.059 1.00 34.25 C ATOM 1786 C ASP A 167 -14.709 14.169 -29.341 1.00 34.71 C ATOM 1787 O ASP A 167 -13.988 13.369 -29.935 1.00 34.92 O ATOM 1788 CB ASP A 167 -16.443 14.956 -30.962 1.00 34.49 C ATOM 1789 CG ASP A 167 -17.522 14.206 -30.204 1.00 35.03 C ATOM 1790 OD1 ASP A 167 -18.453 14.861 -29.692 1.00 35.57 O ATOM 1791 OD2 ASP A 167 -17.435 12.962 -30.125 1.00 34.96 O ATOM 0 H ASP A 167 -13.929 15.534 -31.652 1.00 33.68 H new ATOM 0 HA ASP A 167 -15.658 16.083 -29.310 1.00 34.25 H new ATOM 0 HB2 ASP A 167 -16.879 15.838 -31.432 1.00 34.49 H new ATOM 0 HB3 ASP A 167 -16.060 14.324 -31.764 1.00 34.49 H new ATOM 1796 N ASP A 168 -15.030 14.038 -28.056 1.00 34.93 N ATOM 1797 CA ASP A 168 -14.542 12.919 -27.259 1.00 35.44 C ATOM 1798 C ASP A 168 -15.367 12.757 -25.985 1.00 35.82 C ATOM 1799 O ASP A 168 -14.854 12.324 -24.954 1.00 35.80 O ATOM 1800 CB ASP A 168 -13.068 13.124 -26.903 1.00 35.50 C ATOM 1801 CG ASP A 168 -12.830 14.410 -26.136 1.00 35.46 C ATOM 1802 OD1 ASP A 168 -12.603 15.453 -26.783 1.00 35.19 O ATOM 1803 OD2 ASP A 168 -12.872 14.374 -24.889 1.00 35.77 O ATOM 0 H ASP A 168 -15.625 14.692 -27.547 1.00 34.93 H new ATOM 0 HA ASP A 168 -14.643 12.011 -27.853 1.00 35.44 H new ATOM 0 HB2 ASP A 168 -12.720 12.280 -26.307 1.00 35.50 H new ATOM 0 HB3 ASP A 168 -12.475 13.135 -27.817 1.00 35.50 H new ATOM 1808 N ASP A 169 -16.648 13.103 -26.068 1.00 36.23 N ATOM 1809 CA ASP A 169 -17.543 12.999 -24.923 1.00 36.69 C ATOM 1810 C ASP A 169 -18.941 13.500 -25.275 1.00 37.12 C ATOM 1811 O ASP A 169 -19.250 14.678 -25.099 1.00 37.27 O ATOM 1812 CB ASP A 169 -16.990 13.791 -23.738 1.00 36.89 C ATOM 1813 CG ASP A 169 -17.914 13.756 -22.537 1.00 37.03 C ATOM 1814 OD1 ASP A 169 -17.814 12.801 -21.739 1.00 36.85 O ATOM 1815 OD2 ASP A 169 -18.739 14.683 -22.396 1.00 37.38 O ATOM 0 H ASP A 169 -17.089 13.458 -26.917 1.00 36.23 H new ATOM 0 HA ASP A 169 -17.612 11.947 -24.646 1.00 36.69 H new ATOM 0 HB2 ASP A 169 -16.018 13.387 -23.457 1.00 36.89 H new ATOM 0 HB3 ASP A 169 -16.830 14.826 -24.040 1.00 36.89 H new ATOM 1820 N GLU A 170 -19.780 12.598 -25.774 1.00 37.38 N ATOM 1821 CA GLU A 170 -21.146 12.950 -26.145 1.00 37.87 C ATOM 1822 C GLU A 170 -22.039 13.027 -24.911 1.00 38.39 C ATOM 1823 O GLU A 170 -21.628 12.651 -23.813 1.00 38.52 O ATOM 1824 CB GLU A 170 -21.707 11.925 -27.133 1.00 37.82 C ATOM 1825 CG GLU A 170 -20.956 11.879 -28.454 1.00 37.43 C ATOM 1826 CD GLU A 170 -21.491 10.813 -29.390 1.00 37.35 C ATOM 1827 OE1 GLU A 170 -22.437 11.109 -30.149 1.00 37.70 O ATOM 1828 OE2 GLU A 170 -20.963 9.681 -29.363 1.00 36.99 O ATOM 0 H GLU A 170 -19.539 11.619 -25.931 1.00 37.38 H new ATOM 0 HA GLU A 170 -21.128 13.930 -26.621 1.00 37.87 H new ATOM 0 HB2 GLU A 170 -21.679 10.937 -26.674 1.00 37.82 H new ATOM 0 HB3 GLU A 170 -22.754 12.156 -27.328 1.00 37.82 H new ATOM 0 HG2 GLU A 170 -21.024 12.852 -28.941 1.00 37.43 H new ATOM 0 HG3 GLU A 170 -19.900 11.692 -28.261 1.00 37.43 H new ATOM 1835 N ASP A 171 -23.261 13.516 -25.095 1.00 38.73 N ATOM 1836 CA ASP A 171 -24.204 13.638 -23.989 1.00 39.31 C ATOM 1837 C ASP A 171 -25.553 14.162 -24.466 1.00 39.76 C ATOM 1838 O ASP A 171 -25.820 15.363 -24.416 1.00 40.21 O ATOM 1839 CB ASP A 171 -23.642 14.560 -22.909 1.00 39.30 C ATOM 1840 CG ASP A 171 -23.327 15.945 -23.438 1.00 39.42 C ATOM 1841 OD1 ASP A 171 -22.231 16.129 -24.007 1.00 39.40 O ATOM 1842 OD2 ASP A 171 -24.177 16.847 -23.281 1.00 39.59 O ATOM 0 H ASP A 171 -23.620 13.833 -25.995 1.00 38.73 H new ATOM 0 HA ASP A 171 -24.353 12.643 -23.570 1.00 39.31 H new ATOM 0 HB2 ASP A 171 -24.361 14.640 -22.094 1.00 39.30 H new ATOM 0 HB3 ASP A 171 -22.736 14.118 -22.493 1.00 39.30 H new ATOM 1847 N TYR A 172 -26.397 13.249 -24.927 1.00 39.70 N ATOM 1848 CA TYR A 172 -27.728 13.601 -25.413 1.00 40.17 C ATOM 1849 C TYR A 172 -27.667 14.772 -26.389 1.00 40.95 C ATOM 1850 O TYR A 172 -26.617 15.064 -26.962 1.00 41.25 O ATOM 1851 CB TYR A 172 -28.642 13.948 -24.237 1.00 40.02 C ATOM 1852 CG TYR A 172 -30.066 13.473 -24.417 1.00 40.34 C ATOM 1853 CD1 TYR A 172 -30.342 12.139 -24.689 1.00 40.71 C ATOM 1854 CD2 TYR A 172 -31.132 14.356 -24.313 1.00 40.32 C ATOM 1855 CE1 TYR A 172 -31.641 11.698 -24.854 1.00 41.06 C ATOM 1856 CE2 TYR A 172 -32.435 13.923 -24.476 1.00 40.68 C ATOM 1857 CZ TYR A 172 -32.684 12.594 -24.746 1.00 41.05 C ATOM 1858 OH TYR A 172 -33.981 12.161 -24.908 1.00 41.46 O ATOM 0 H TYR A 172 -26.183 12.253 -24.975 1.00 39.70 H new ATOM 0 HA TYR A 172 -28.133 12.738 -25.942 1.00 40.17 H new ATOM 0 HB2 TYR A 172 -28.233 13.508 -23.328 1.00 40.02 H new ATOM 0 HB3 TYR A 172 -28.643 15.029 -24.095 1.00 40.02 H new ATOM 0 HD1 TYR A 172 -29.528 11.435 -24.773 1.00 40.71 H new ATOM 0 HD2 TYR A 172 -30.941 15.398 -24.101 1.00 40.32 H new ATOM 0 HE1 TYR A 172 -31.839 10.658 -25.066 1.00 41.06 H new ATOM 0 HE2 TYR A 172 -33.254 14.622 -24.392 1.00 40.68 H new ATOM 0 HH TYR A 172 -34.594 12.918 -24.799 1.00 41.46 H new ATOM 1868 N LEU A 173 -28.802 15.441 -26.573 1.00 41.34 N ATOM 1869 CA LEU A 173 -28.883 16.578 -27.483 1.00 42.14 C ATOM 1870 C LEU A 173 -29.614 17.746 -26.831 1.00 42.44 C ATOM 1871 O LEU A 173 -30.844 17.781 -26.795 1.00 42.68 O ATOM 1872 CB LEU A 173 -29.599 16.173 -28.772 1.00 42.57 C ATOM 1873 CG LEU A 173 -29.020 14.946 -29.476 1.00 42.42 C ATOM 1874 CD1 LEU A 173 -29.901 14.539 -30.646 1.00 42.94 C ATOM 1875 CD2 LEU A 173 -27.600 15.223 -29.948 1.00 42.58 C ATOM 0 H LEU A 173 -29.679 15.215 -26.103 1.00 41.34 H new ATOM 0 HA LEU A 173 -27.867 16.895 -27.720 1.00 42.14 H new ATOM 0 HB2 LEU A 173 -30.647 15.980 -28.542 1.00 42.57 H new ATOM 0 HB3 LEU A 173 -29.574 17.015 -29.463 1.00 42.57 H new ATOM 0 HG LEU A 173 -28.991 14.121 -28.764 1.00 42.42 H new ATOM 0 HD11 LEU A 173 -29.474 13.664 -31.136 1.00 42.94 H new ATOM 0 HD12 LEU A 173 -30.901 14.300 -30.283 1.00 42.94 H new ATOM 0 HD13 LEU A 173 -29.961 15.361 -31.359 1.00 42.94 H new ATOM 0 HD21 LEU A 173 -27.203 14.339 -30.447 1.00 42.58 H new ATOM 0 HD22 LEU A 173 -27.605 16.061 -30.645 1.00 42.58 H new ATOM 0 HD23 LEU A 173 -26.973 15.468 -29.091 1.00 42.58 H new ATOM 1887 N ARG A 174 -28.848 18.701 -26.318 1.00 42.49 N ATOM 1888 CA ARG A 174 -29.419 19.873 -25.665 1.00 42.83 C ATOM 1889 C ARG A 174 -30.061 20.812 -26.679 1.00 43.41 C ATOM 1890 O ARG A 174 -29.369 21.454 -27.470 1.00 43.61 O ATOM 1891 CB ARG A 174 -28.339 20.617 -24.880 1.00 42.85 C ATOM 1892 CG ARG A 174 -27.758 19.807 -23.734 1.00 42.28 C ATOM 1893 CD ARG A 174 -28.798 19.544 -22.657 1.00 42.41 C ATOM 1894 NE ARG A 174 -28.244 18.791 -21.538 1.00 42.29 N ATOM 1895 CZ ARG A 174 -28.859 18.650 -20.368 1.00 42.33 C ATOM 1896 NH1 ARG A 174 -30.046 19.206 -20.169 1.00 42.48 N ATOM 1897 NH2 ARG A 174 -28.287 17.952 -19.397 1.00 42.28 N ATOM 0 H ARG A 174 -27.828 18.687 -26.342 1.00 42.49 H new ATOM 0 HA ARG A 174 -30.194 19.531 -24.979 1.00 42.83 H new ATOM 0 HB2 ARG A 174 -27.535 20.898 -25.560 1.00 42.85 H new ATOM 0 HB3 ARG A 174 -28.760 21.541 -24.485 1.00 42.85 H new ATOM 0 HG2 ARG A 174 -27.377 18.859 -24.113 1.00 42.28 H new ATOM 0 HG3 ARG A 174 -26.911 20.341 -23.302 1.00 42.28 H new ATOM 0 HD2 ARG A 174 -29.194 20.493 -22.295 1.00 42.41 H new ATOM 0 HD3 ARG A 174 -29.634 18.993 -23.087 1.00 42.41 H new ATOM 0 HE ARG A 174 -27.334 18.348 -21.660 1.00 42.29 H new ATOM 0 HH11 ARG A 174 -30.489 19.743 -20.914 1.00 42.48 H new ATOM 0 HH12 ARG A 174 -30.516 19.097 -19.270 1.00 42.48 H new ATOM 0 HH21 ARG A 174 -27.374 17.523 -19.547 1.00 42.28 H new ATOM 0 HH22 ARG A 174 -28.760 17.844 -18.500 1.00 42.28 H new ATOM 1911 N THR A 175 -31.389 20.887 -26.652 1.00 43.73 N ATOM 1912 CA THR A 175 -32.125 21.753 -27.564 1.00 44.34 C ATOM 1913 C THR A 175 -31.950 23.217 -27.182 1.00 44.69 C ATOM 1914 O THR A 175 -31.822 24.084 -28.045 1.00 44.76 O ATOM 1915 CB THR A 175 -33.627 21.414 -27.573 1.00 44.62 C ATOM 1916 OG1 THR A 175 -34.157 21.500 -26.244 1.00 44.61 O ATOM 1917 CG2 THR A 175 -33.867 20.019 -28.129 1.00 44.90 C ATOM 0 H THR A 175 -31.976 20.358 -26.008 1.00 43.73 H new ATOM 0 HA THR A 175 -31.718 21.585 -28.561 1.00 44.34 H new ATOM 0 HB THR A 175 -34.134 22.135 -28.215 1.00 44.62 H new ATOM 0 HG1 THR A 175 -35.113 21.285 -26.258 1.00 44.61 H new ATOM 0 HG21 THR A 175 -34.936 19.804 -28.124 1.00 44.90 H new ATOM 0 HG22 THR A 175 -33.490 19.965 -29.150 1.00 44.90 H new ATOM 0 HG23 THR A 175 -33.347 19.287 -27.511 1.00 44.90 H new ATOM 1925 N ASN A 176 -31.945 23.485 -25.880 1.00 44.97 N ATOM 1926 CA ASN A 176 -31.780 24.844 -25.376 1.00 45.37 C ATOM 1927 C ASN A 176 -32.891 25.759 -25.884 1.00 45.88 C ATOM 1928 O ASN A 176 -33.048 25.952 -27.090 1.00 46.06 O ATOM 1929 CB ASN A 176 -30.418 25.401 -25.792 1.00 45.49 C ATOM 1930 CG ASN A 176 -30.148 26.768 -25.198 1.00 45.56 C ATOM 1931 OD1 ASN A 176 -29.589 26.884 -24.107 1.00 45.38 O ATOM 1932 ND2 ASN A 176 -30.546 27.813 -25.913 1.00 45.87 N ATOM 0 H ASN A 176 -32.054 22.777 -25.153 1.00 44.97 H new ATOM 0 HA ASN A 176 -31.837 24.807 -24.288 1.00 45.37 H new ATOM 0 HB2 ASN A 176 -29.635 24.711 -25.479 1.00 45.49 H new ATOM 0 HB3 ASN A 176 -30.371 25.464 -26.879 1.00 45.49 H new ATOM 0 HD21 ASN A 176 -30.392 28.759 -25.563 1.00 45.87 H new ATOM 0 HD22 ASN A 176 -31.005 27.670 -26.812 1.00 45.87 H new ATOM 1939 N ARG A 177 -33.655 26.322 -24.954 1.00 46.18 N ATOM 1940 CA ARG A 177 -34.753 27.218 -25.301 1.00 46.73 C ATOM 1941 C ARG A 177 -34.984 28.245 -24.197 1.00 47.16 C ATOM 1942 O ARG A 177 -35.908 28.111 -23.395 1.00 47.54 O ATOM 1943 CB ARG A 177 -36.034 26.419 -25.542 1.00 46.78 C ATOM 1944 CG ARG A 177 -35.957 25.491 -26.743 1.00 46.46 C ATOM 1945 CD ARG A 177 -37.232 24.688 -26.907 1.00 46.63 C ATOM 1946 NE ARG A 177 -37.189 23.824 -28.082 1.00 47.10 N ATOM 1947 CZ ARG A 177 -38.245 23.164 -28.547 1.00 47.55 C ATOM 1948 NH1 ARG A 177 -39.419 23.276 -27.941 1.00 47.58 N ATOM 1949 NH2 ARG A 177 -38.128 22.393 -29.619 1.00 48.02 N ATOM 0 H ARG A 177 -33.534 26.173 -23.952 1.00 46.18 H new ATOM 0 HA ARG A 177 -34.484 27.745 -26.216 1.00 46.73 H new ATOM 0 HB2 ARG A 177 -36.257 25.830 -24.652 1.00 46.78 H new ATOM 0 HB3 ARG A 177 -36.863 27.112 -25.682 1.00 46.78 H new ATOM 0 HG2 ARG A 177 -35.775 26.076 -27.645 1.00 46.46 H new ATOM 0 HG3 ARG A 177 -35.111 24.813 -26.627 1.00 46.46 H new ATOM 0 HD2 ARG A 177 -37.394 24.081 -26.017 1.00 46.63 H new ATOM 0 HD3 ARG A 177 -38.080 25.368 -26.988 1.00 46.63 H new ATOM 0 HE ARG A 177 -36.301 23.721 -28.573 1.00 47.10 H new ATOM 0 HH11 ARG A 177 -39.513 23.869 -27.117 1.00 47.58 H new ATOM 0 HH12 ARG A 177 -40.228 22.769 -28.299 1.00 47.58 H new ATOM 0 HH21 ARG A 177 -37.227 22.305 -30.088 1.00 48.02 H new ATOM 0 HH22 ARG A 177 -38.939 21.887 -29.974 1.00 48.02 H new ATOM 1963 N ILE A 178 -34.140 29.272 -24.163 1.00 47.14 N ATOM 1964 CA ILE A 178 -34.253 30.319 -23.156 1.00 47.59 C ATOM 1965 C ILE A 178 -35.606 31.023 -23.244 1.00 47.95 C ATOM 1966 O ILE A 178 -35.783 31.852 -24.160 1.00 48.11 O ATOM 1967 CB ILE A 178 -33.123 31.360 -23.295 1.00 47.56 C ATOM 1968 CG1 ILE A 178 -33.268 32.451 -22.232 1.00 47.56 C ATOM 1969 CG2 ILE A 178 -33.123 31.968 -24.690 1.00 47.67 C ATOM 1970 CD1 ILE A 178 -32.194 33.514 -22.307 1.00 47.62 C ATOM 1971 OXT ILE A 178 -36.476 30.737 -22.395 1.00 48.12 O ATOM 0 H ILE A 178 -33.371 29.400 -24.821 1.00 47.14 H new ATOM 0 HA ILE A 178 -34.165 29.835 -22.183 1.00 47.59 H new ATOM 0 HB ILE A 178 -32.169 30.855 -23.143 1.00 47.56 H new ATOM 0 HG12 ILE A 178 -34.244 32.924 -22.339 1.00 47.56 H new ATOM 0 HG13 ILE A 178 -33.244 31.990 -21.244 1.00 47.56 H new ATOM 0 HG21 ILE A 178 -32.319 32.700 -24.768 1.00 47.67 H new ATOM 0 HG22 ILE A 178 -32.971 31.182 -25.430 1.00 47.67 H new ATOM 0 HG23 ILE A 178 -34.079 32.459 -24.873 1.00 47.67 H new ATOM 0 HD11 ILE A 178 -32.360 34.254 -21.524 1.00 47.62 H new ATOM 0 HD12 ILE A 178 -31.216 33.053 -22.170 1.00 47.62 H new ATOM 0 HD13 ILE A 178 -32.232 34.001 -23.281 1.00 47.62 H new TER 1983 ILE A 178