USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 849 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 93 ASN : amide:sc= -1.86! C(o=-2.3!,f=-10!) USER MOD Set 1.2: A 97 SER OG : rot 180:sc= -0.482 USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 GLN : amide:sc= 2.22 K(o=3,f=-10!) USER MOD Set 2.3: A 87 LYS NZ :NH3+ -162:sc= 0.776 (180deg=-1.37!) USER MOD Set 3.1: A 67 THR OG1 : rot -32:sc= 0.844 USER MOD Set 3.2: A 90 SER OG : rot -150:sc= -0.109 USER MOD Set 4.1: A 54 THR OG1 : rot -71:sc= 0.816 USER MOD Set 4.2: A 75 LYS NZ :NH3+ 140:sc= 1.67 (180deg=0.676) USER MOD Set 5.1: A 24 TYR OH : rot 43:sc= 2.06 USER MOD Set 5.2: A 49 ASN : amide:sc= 0.782 K(o=3.9,f=0.8) USER MOD Set 5.3: A 51 ASN : amide:sc= 1.03 K(o=3.9,f=1.6) USER MOD Set 6.1: A 39 TYR OH : rot 61:sc= 1.28 USER MOD Set 6.2: A 40 LYS NZ :NH3+ -172:sc= 2.58 (180deg=0.961) USER MOD Set 6.3: A 42 ASN : amide:sc= -0.767 K(o=7.4,f=-0.89!) USER MOD Set 6.4: A 64 SER OG : rot 180:sc= 0.938 USER MOD Set 6.5: A 91 GLN : amide:sc= 3.36 K(o=7.4,f=-7!) USER MOD Set 7.1: A 33 ASN :FLIP amide:sc= 0.0471 F(o=-0.37,f=0.38) USER MOD Set 7.2: A 35 GLN : amide:sc= 0.333 K(o=0.38,f=-0.37) USER MOD Set 8.1: A 19 ASN : amide:sc= 0.0524 X(o=0.29,f=-0.18) USER MOD Set 8.2: A 80 ASN : amide:sc= 0.235 X(o=0.29,f=-0.18) USER MOD Set 9.1: A 8 LYS NZ :NH3+ 151:sc= -1.66! (180deg=-3.52!) USER MOD Set 9.2: A 88 TYR OH : rot -128:sc= 1.6 USER MOD Set10.1: A 1 MET N :NH3+ -172:sc= 0.699 (180deg=-0.563) USER MOD Set10.2: A 5 THR OG1 : rot 63:sc= 2.09 USER MOD Set10.3: A 14 THR OG1 : rot 68:sc= 1.21 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= -1.84! (180deg=-2.61!) USER MOD Single : A 6 GLN : amide:sc= 0.429 K(o=0.43,f=-0.6) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 131:sc= 1.22 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 18 TYR OH : rot 100:sc= -0.112 USER MOD Single : A 21 ASN : amide:sc= -0.0072 K(o=-0.0072,f=-4.2!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 27 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -42:sc= 0.501 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -134:sc= 0.777 (180deg=-2.02!) USER MOD Single : A 52 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.48) USER MOD Single : A 60 SER OG : rot -150:sc= -0.742 USER MOD Single : A 62 SER OG : rot -51:sc= 0.742 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0695 USER MOD Single : A 74 MET CE :methyl -171:sc= -1.73! (180deg=-2.29) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= -0.35 (180deg=-0.495) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 78:sc= 0.956 USER MOD Single : A 85 SER OG : rot -88:sc= 0.848 USER MOD Single : A 94 SER OG : rot -31:sc= -0.709 USER MOD Single : A 98 SER OG : rot 83:sc= 1.22 USER MOD Single : A 107 ASN : amide:sc=-0.00596 X(o=-0.006,f=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HE2:sc= 0.695 K(o=0.69,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.986 -8.845 8.466 1.00 20.05 N ATOM 2 CA MET A 1 -9.317 -9.803 9.559 1.00 2.10 C ATOM 3 C MET A 1 -9.928 -11.050 8.943 1.00 33.31 C ATOM 4 O MET A 1 -10.046 -12.093 9.565 1.00 41.34 O ATOM 5 CB MET A 1 -10.294 -9.155 10.556 1.00 54.31 C ATOM 6 CG MET A 1 -10.621 -10.006 11.785 1.00 15.42 C ATOM 7 SD MET A 1 -11.757 -9.172 12.906 1.00 52.20 S ATOM 8 CE MET A 1 -11.916 -10.395 14.212 1.00 52.24 C ATOM 0 H1 MET A 1 -8.445 -8.047 8.856 1.00 20.05 H new ATOM 0 H2 MET A 1 -8.417 -9.328 7.742 1.00 20.05 H new ATOM 0 H3 MET A 1 -9.865 -8.491 8.037 1.00 20.05 H new ATOM 0 HA MET A 1 -8.412 -10.073 10.104 1.00 2.10 H new ATOM 0 HB2 MET A 1 -9.873 -8.207 10.891 1.00 54.31 H new ATOM 0 HB3 MET A 1 -11.223 -8.925 10.034 1.00 54.31 H new ATOM 0 HG2 MET A 1 -11.058 -10.952 11.464 1.00 15.42 H new ATOM 0 HG3 MET A 1 -9.699 -10.245 12.315 1.00 15.42 H new ATOM 0 HE1 MET A 1 -12.591 -10.020 14.981 1.00 52.24 H new ATOM 0 HE2 MET A 1 -12.317 -11.320 13.797 1.00 52.24 H new ATOM 0 HE3 MET A 1 -10.937 -10.588 14.651 1.00 52.24 H new ATOM 17 N ASP A 2 -10.270 -10.908 7.700 1.00 51.43 N ATOM 18 CA ASP A 2 -10.854 -11.915 6.865 1.00 2.44 C ATOM 19 C ASP A 2 -9.762 -12.847 6.364 1.00 61.34 C ATOM 20 O ASP A 2 -8.591 -12.747 6.777 1.00 44.35 O ATOM 21 CB ASP A 2 -11.505 -11.192 5.681 1.00 5.22 C ATOM 22 CG ASP A 2 -10.526 -10.220 5.028 1.00 55.24 C ATOM 23 OD1 ASP A 2 -10.122 -9.217 5.709 1.00 4.13 O ATOM 24 OD2 ASP A 2 -10.097 -10.480 3.901 1.00 45.54 O ATOM 0 H ASP A 2 -10.140 -10.025 7.207 1.00 51.43 H new ATOM 0 HA ASP A 2 -11.590 -12.505 7.410 1.00 2.44 H new ATOM 0 HB2 ASP A 2 -11.843 -11.922 4.946 1.00 5.22 H new ATOM 0 HB3 ASP A 2 -12.388 -10.651 6.022 1.00 5.22 H new ATOM 29 N LYS A 3 -10.095 -13.736 5.459 1.00 50.35 N ATOM 30 CA LYS A 3 -9.098 -14.649 4.983 1.00 52.05 C ATOM 31 C LYS A 3 -8.243 -14.003 3.889 1.00 60.12 C ATOM 32 O LYS A 3 -7.221 -14.574 3.475 1.00 41.42 O ATOM 33 CB LYS A 3 -9.679 -15.998 4.545 1.00 11.30 C ATOM 34 CG LYS A 3 -8.633 -17.132 4.370 1.00 73.42 C ATOM 35 CD LYS A 3 -7.941 -17.536 5.703 1.00 2.32 C ATOM 36 CE LYS A 3 -6.465 -17.054 5.835 1.00 63.31 C ATOM 37 NZ LYS A 3 -6.308 -15.573 5.907 1.00 1.15 N ATOM 0 H LYS A 3 -11.023 -13.842 5.050 1.00 50.35 H new ATOM 0 HA LYS A 3 -8.446 -14.875 5.827 1.00 52.05 H new ATOM 0 HB2 LYS A 3 -10.418 -16.315 5.281 1.00 11.30 H new ATOM 0 HB3 LYS A 3 -10.207 -15.861 3.601 1.00 11.30 H new ATOM 0 HG2 LYS A 3 -9.123 -18.007 3.942 1.00 73.42 H new ATOM 0 HG3 LYS A 3 -7.874 -16.811 3.657 1.00 73.42 H new ATOM 0 HD2 LYS A 3 -8.518 -17.132 6.535 1.00 2.32 H new ATOM 0 HD3 LYS A 3 -7.965 -18.622 5.796 1.00 2.32 H new ATOM 0 HE2 LYS A 3 -6.029 -17.498 6.730 1.00 63.31 H new ATOM 0 HE3 LYS A 3 -5.896 -17.427 4.984 1.00 63.31 H new ATOM 0 HZ1 LYS A 3 -5.331 -15.340 6.179 1.00 1.15 H new ATOM 0 HZ2 LYS A 3 -6.518 -15.156 4.978 1.00 1.15 H new ATOM 0 HZ3 LYS A 3 -6.965 -15.188 6.615 1.00 1.15 H new ATOM 51 N GLY A 4 -8.617 -12.804 3.482 1.00 52.31 N ATOM 52 CA GLY A 4 -7.826 -12.053 2.546 1.00 62.52 C ATOM 53 C GLY A 4 -6.617 -11.487 3.246 1.00 61.03 C ATOM 54 O GLY A 4 -5.638 -11.137 2.615 1.00 20.20 O ATOM 0 H GLY A 4 -9.468 -12.335 3.791 1.00 52.31 H new ATOM 0 HA2 GLY A 4 -7.514 -12.694 1.721 1.00 62.52 H new ATOM 0 HA3 GLY A 4 -8.421 -11.247 2.116 1.00 62.52 H new ATOM 58 N THR A 5 -6.693 -11.426 4.575 1.00 40.15 N ATOM 59 CA THR A 5 -5.586 -11.008 5.379 1.00 12.44 C ATOM 60 C THR A 5 -4.614 -12.180 5.497 1.00 3.52 C ATOM 61 O THR A 5 -4.908 -13.202 6.163 1.00 61.11 O ATOM 62 CB THR A 5 -6.056 -10.603 6.796 1.00 43.30 C ATOM 63 OG1 THR A 5 -7.141 -9.662 6.704 1.00 44.44 O ATOM 64 CG2 THR A 5 -4.915 -9.969 7.587 1.00 51.31 C ATOM 0 H THR A 5 -7.529 -11.668 5.107 1.00 40.15 H new ATOM 0 HA THR A 5 -5.109 -10.146 4.913 1.00 12.44 H new ATOM 0 HB THR A 5 -6.388 -11.504 7.311 1.00 43.30 H new ATOM 0 HG1 THR A 5 -7.905 -10.086 6.261 1.00 44.44 H new ATOM 0 HG21 THR A 5 -5.270 -9.693 8.580 1.00 51.31 H new ATOM 0 HG22 THR A 5 -4.096 -10.683 7.680 1.00 51.31 H new ATOM 0 HG23 THR A 5 -4.563 -9.078 7.067 1.00 51.31 H new ATOM 72 N GLN A 6 -3.518 -12.077 4.805 1.00 4.14 N ATOM 73 CA GLN A 6 -2.497 -13.086 4.815 1.00 23.42 C ATOM 74 C GLN A 6 -1.153 -12.418 4.829 1.00 74.35 C ATOM 75 O GLN A 6 -0.949 -11.400 4.164 1.00 34.24 O ATOM 76 CB GLN A 6 -2.594 -13.990 3.573 1.00 62.21 C ATOM 77 CG GLN A 6 -3.916 -14.721 3.430 1.00 22.32 C ATOM 78 CD GLN A 6 -3.973 -15.639 2.233 1.00 72.02 C ATOM 79 OE1 GLN A 6 -2.982 -16.196 1.816 1.00 3.12 O ATOM 80 NE2 GLN A 6 -5.146 -15.794 1.673 1.00 23.24 N ATOM 0 H GLN A 6 -3.304 -11.278 4.208 1.00 4.14 H new ATOM 0 HA GLN A 6 -2.631 -13.704 5.703 1.00 23.42 H new ATOM 0 HB2 GLN A 6 -2.431 -13.382 2.683 1.00 62.21 H new ATOM 0 HB3 GLN A 6 -1.789 -14.724 3.610 1.00 62.21 H new ATOM 0 HG2 GLN A 6 -4.099 -15.303 4.333 1.00 22.32 H new ATOM 0 HG3 GLN A 6 -4.720 -13.989 3.354 1.00 22.32 H new ATOM 0 HE21 GLN A 6 -5.960 -15.309 2.051 1.00 23.24 H new ATOM 0 HE22 GLN A 6 -5.246 -16.400 0.859 1.00 23.24 H new ATOM 89 N TYR A 7 -0.272 -12.942 5.612 1.00 60.32 N ATOM 90 CA TYR A 7 1.072 -12.483 5.639 1.00 12.22 C ATOM 91 C TYR A 7 1.988 -13.641 5.309 1.00 62.33 C ATOM 92 O TYR A 7 2.083 -14.605 6.061 1.00 12.20 O ATOM 93 CB TYR A 7 1.427 -11.784 6.985 1.00 74.14 C ATOM 94 CG TYR A 7 1.216 -12.606 8.254 1.00 25.12 C ATOM 95 CD1 TYR A 7 -0.045 -12.730 8.830 1.00 43.31 C ATOM 96 CD2 TYR A 7 2.285 -13.236 8.883 1.00 33.53 C ATOM 97 CE1 TYR A 7 -0.232 -13.458 9.988 1.00 70.11 C ATOM 98 CE2 TYR A 7 2.103 -13.969 10.039 1.00 63.23 C ATOM 99 CZ TYR A 7 0.843 -14.078 10.587 1.00 1.33 C ATOM 100 OH TYR A 7 0.661 -14.802 11.741 1.00 31.52 O ATOM 0 H TYR A 7 -0.468 -13.708 6.257 1.00 60.32 H new ATOM 0 HA TYR A 7 1.208 -11.711 4.882 1.00 12.22 H new ATOM 0 HB2 TYR A 7 2.473 -11.479 6.946 1.00 74.14 H new ATOM 0 HB3 TYR A 7 0.832 -10.874 7.065 1.00 74.14 H new ATOM 0 HD1 TYR A 7 -0.892 -12.249 8.363 1.00 43.31 H new ATOM 0 HD2 TYR A 7 3.275 -13.150 8.460 1.00 33.53 H new ATOM 0 HE1 TYR A 7 -1.217 -13.541 10.423 1.00 70.11 H new ATOM 0 HE2 TYR A 7 2.944 -14.455 10.512 1.00 63.23 H new ATOM 0 HH TYR A 7 1.519 -15.175 12.032 1.00 31.52 H new ATOM 110 N LYS A 8 2.619 -13.588 4.177 1.00 2.21 N ATOM 111 CA LYS A 8 3.514 -14.647 3.816 1.00 52.41 C ATOM 112 C LYS A 8 4.878 -14.098 3.667 1.00 74.03 C ATOM 113 O LYS A 8 5.105 -13.323 2.728 1.00 44.12 O ATOM 114 CB LYS A 8 3.148 -15.224 2.429 1.00 11.44 C ATOM 115 CG LYS A 8 4.169 -16.276 1.934 1.00 74.32 C ATOM 116 CD LYS A 8 4.368 -16.280 0.400 1.00 74.32 C ATOM 117 CE LYS A 8 5.022 -14.973 -0.168 1.00 41.51 C ATOM 118 NZ LYS A 8 6.384 -14.648 0.400 1.00 72.32 N ATOM 0 H LYS A 8 2.534 -12.835 3.494 1.00 2.21 H new ATOM 0 HA LYS A 8 3.450 -15.412 4.590 1.00 52.41 H new ATOM 0 HB2 LYS A 8 2.159 -15.679 2.478 1.00 11.44 H new ATOM 0 HB3 LYS A 8 3.090 -14.411 1.705 1.00 11.44 H new ATOM 0 HG2 LYS A 8 5.129 -16.091 2.415 1.00 74.32 H new ATOM 0 HG3 LYS A 8 3.839 -17.266 2.251 1.00 74.32 H new ATOM 0 HD2 LYS A 8 4.991 -17.132 0.128 1.00 74.32 H new ATOM 0 HD3 LYS A 8 3.400 -16.427 -0.080 1.00 74.32 H new ATOM 0 HE2 LYS A 8 5.108 -15.067 -1.250 1.00 41.51 H new ATOM 0 HE3 LYS A 8 4.353 -14.135 0.026 1.00 41.51 H new ATOM 0 HZ1 LYS A 8 6.939 -14.124 -0.307 1.00 72.32 H new ATOM 0 HZ2 LYS A 8 6.274 -14.066 1.255 1.00 72.32 H new ATOM 0 HZ3 LYS A 8 6.878 -15.530 0.644 1.00 72.32 H new ATOM 132 N ASP A 9 5.805 -14.539 4.516 1.00 33.31 N ATOM 133 CA ASP A 9 7.232 -14.269 4.306 1.00 12.41 C ATOM 134 C ASP A 9 7.488 -12.756 3.987 1.00 11.23 C ATOM 135 O ASP A 9 8.066 -12.388 2.997 1.00 12.14 O ATOM 136 CB ASP A 9 7.709 -15.285 3.230 1.00 73.24 C ATOM 137 CG ASP A 9 9.022 -15.030 2.562 1.00 22.22 C ATOM 138 OD1 ASP A 9 10.039 -15.036 3.227 1.00 3.24 O ATOM 139 OD2 ASP A 9 8.988 -14.848 1.309 1.00 73.31 O ATOM 0 H ASP A 9 5.598 -15.083 5.354 1.00 33.31 H new ATOM 0 HA ASP A 9 7.831 -14.422 5.204 1.00 12.41 H new ATOM 0 HB2 ASP A 9 7.756 -16.269 3.697 1.00 73.24 H new ATOM 0 HB3 ASP A 9 6.944 -15.336 2.455 1.00 73.24 H new ATOM 144 N GLY A 10 6.877 -11.899 4.790 1.00 51.42 N ATOM 145 CA GLY A 10 7.055 -10.469 4.622 1.00 74.21 C ATOM 146 C GLY A 10 5.975 -9.802 3.758 1.00 24.22 C ATOM 147 O GLY A 10 5.716 -8.598 3.901 1.00 55.42 O ATOM 0 H GLY A 10 6.260 -12.167 5.557 1.00 51.42 H new ATOM 0 HA2 GLY A 10 7.063 -9.996 5.604 1.00 74.21 H new ATOM 0 HA3 GLY A 10 8.031 -10.285 4.172 1.00 74.21 H new ATOM 151 N TYR A 11 5.350 -10.569 2.884 1.00 74.33 N ATOM 152 CA TYR A 11 4.338 -10.049 1.959 1.00 40.12 C ATOM 153 C TYR A 11 3.029 -9.945 2.705 1.00 72.43 C ATOM 154 O TYR A 11 2.617 -10.905 3.359 1.00 64.54 O ATOM 155 CB TYR A 11 4.180 -11.010 0.764 1.00 44.14 C ATOM 156 CG TYR A 11 3.600 -10.389 -0.496 1.00 52.31 C ATOM 157 CD1 TYR A 11 2.233 -10.275 -0.688 1.00 1.43 C ATOM 158 CD2 TYR A 11 4.441 -9.920 -1.501 1.00 53.42 C ATOM 159 CE1 TYR A 11 1.719 -9.707 -1.843 1.00 10.21 C ATOM 160 CE2 TYR A 11 3.936 -9.354 -2.653 1.00 45.20 C ATOM 161 CZ TYR A 11 2.577 -9.248 -2.820 1.00 30.22 C ATOM 162 OH TYR A 11 2.076 -8.684 -3.968 1.00 74.35 O ATOM 0 H TYR A 11 5.523 -11.570 2.789 1.00 74.33 H new ATOM 0 HA TYR A 11 4.638 -9.071 1.583 1.00 40.12 H new ATOM 0 HB2 TYR A 11 5.157 -11.431 0.526 1.00 44.14 H new ATOM 0 HB3 TYR A 11 3.541 -11.839 1.068 1.00 44.14 H new ATOM 0 HD1 TYR A 11 1.557 -10.634 0.074 1.00 1.43 H new ATOM 0 HD2 TYR A 11 5.511 -10.001 -1.376 1.00 53.42 H new ATOM 0 HE1 TYR A 11 0.651 -9.624 -1.977 1.00 10.21 H new ATOM 0 HE2 TYR A 11 4.606 -8.996 -3.420 1.00 45.20 H new ATOM 0 HH TYR A 11 2.817 -8.413 -4.550 1.00 74.35 H new ATOM 172 N TYR A 12 2.379 -8.817 2.613 1.00 31.34 N ATOM 173 CA TYR A 12 1.165 -8.609 3.361 1.00 44.13 C ATOM 174 C TYR A 12 -0.004 -8.327 2.431 1.00 72.42 C ATOM 175 O TYR A 12 0.076 -7.454 1.558 1.00 34.31 O ATOM 176 CB TYR A 12 1.348 -7.474 4.381 1.00 1.53 C ATOM 177 CG TYR A 12 0.160 -7.279 5.297 1.00 53.15 C ATOM 178 CD1 TYR A 12 -0.076 -8.154 6.348 1.00 51.01 C ATOM 179 CD2 TYR A 12 -0.728 -6.235 5.105 1.00 14.24 C ATOM 180 CE1 TYR A 12 -1.165 -7.993 7.183 1.00 4.22 C ATOM 181 CE2 TYR A 12 -1.815 -6.067 5.933 1.00 24.23 C ATOM 182 CZ TYR A 12 -2.031 -6.946 6.971 1.00 12.22 C ATOM 183 OH TYR A 12 -3.125 -6.776 7.793 1.00 72.42 O ATOM 0 H TYR A 12 2.666 -8.030 2.031 1.00 31.34 H new ATOM 0 HA TYR A 12 0.939 -9.524 3.909 1.00 44.13 H new ATOM 0 HB2 TYR A 12 2.231 -7.680 4.986 1.00 1.53 H new ATOM 0 HB3 TYR A 12 1.539 -6.544 3.845 1.00 1.53 H new ATOM 0 HD1 TYR A 12 0.604 -8.976 6.516 1.00 51.01 H new ATOM 0 HD2 TYR A 12 -0.566 -5.541 4.293 1.00 14.24 H new ATOM 0 HE1 TYR A 12 -1.335 -8.684 7.996 1.00 4.22 H new ATOM 0 HE2 TYR A 12 -2.498 -5.247 5.769 1.00 24.23 H new ATOM 0 HH TYR A 12 -3.631 -5.988 7.505 1.00 72.42 H new ATOM 193 N ILE A 13 -1.060 -9.073 2.608 1.00 13.32 N ATOM 194 CA ILE A 13 -2.278 -8.930 1.843 1.00 41.51 C ATOM 195 C ILE A 13 -3.437 -8.802 2.825 1.00 75.13 C ATOM 196 O ILE A 13 -3.431 -9.463 3.858 1.00 34.33 O ATOM 197 CB ILE A 13 -2.531 -10.180 0.936 1.00 31.24 C ATOM 198 CG1 ILE A 13 -1.332 -10.442 0.021 1.00 33.43 C ATOM 199 CG2 ILE A 13 -3.796 -9.994 0.097 1.00 50.02 C ATOM 200 CD1 ILE A 13 -1.454 -11.700 -0.822 1.00 21.11 C ATOM 0 H ILE A 13 -1.103 -9.817 3.304 1.00 13.32 H new ATOM 0 HA ILE A 13 -2.193 -8.052 1.202 1.00 41.51 H new ATOM 0 HB ILE A 13 -2.667 -11.043 1.589 1.00 31.24 H new ATOM 0 HG12 ILE A 13 -1.201 -9.586 -0.641 1.00 33.43 H new ATOM 0 HG13 ILE A 13 -0.432 -10.513 0.632 1.00 33.43 H new ATOM 0 HG21 ILE A 13 -3.952 -10.875 -0.526 1.00 50.02 H new ATOM 0 HG22 ILE A 13 -4.653 -9.859 0.756 1.00 50.02 H new ATOM 0 HG23 ILE A 13 -3.685 -9.115 -0.539 1.00 50.02 H new ATOM 0 HD11 ILE A 13 -0.564 -11.811 -1.441 1.00 21.11 H new ATOM 0 HD12 ILE A 13 -1.553 -12.567 -0.169 1.00 21.11 H new ATOM 0 HD13 ILE A 13 -2.333 -11.625 -1.462 1.00 21.11 H new ATOM 212 N THR A 14 -4.359 -7.902 2.562 1.00 43.30 N ATOM 213 CA THR A 14 -5.567 -7.810 3.346 1.00 61.21 C ATOM 214 C THR A 14 -6.630 -7.071 2.547 1.00 3.35 C ATOM 215 O THR A 14 -6.308 -6.318 1.611 1.00 74.10 O ATOM 216 CB THR A 14 -5.352 -7.153 4.759 1.00 64.03 C ATOM 217 OG1 THR A 14 -6.547 -7.279 5.562 1.00 63.15 O ATOM 218 CG2 THR A 14 -4.998 -5.680 4.652 1.00 10.33 C ATOM 0 H THR A 14 -4.292 -7.220 1.806 1.00 43.30 H new ATOM 0 HA THR A 14 -5.900 -8.827 3.552 1.00 61.21 H new ATOM 0 HB THR A 14 -4.522 -7.681 5.228 1.00 64.03 H new ATOM 0 HG1 THR A 14 -6.688 -8.221 5.793 1.00 63.15 H new ATOM 0 HG21 THR A 14 -4.858 -5.266 5.651 1.00 10.33 H new ATOM 0 HG22 THR A 14 -4.077 -5.568 4.080 1.00 10.33 H new ATOM 0 HG23 THR A 14 -5.805 -5.148 4.148 1.00 10.33 H new ATOM 226 N THR A 15 -7.853 -7.308 2.879 1.00 35.15 N ATOM 227 CA THR A 15 -8.963 -6.697 2.222 1.00 45.32 C ATOM 228 C THR A 15 -9.468 -5.515 3.063 1.00 11.31 C ATOM 229 O THR A 15 -9.591 -5.623 4.290 1.00 73.01 O ATOM 230 CB THR A 15 -10.098 -7.729 2.082 1.00 32.45 C ATOM 231 OG1 THR A 15 -9.532 -9.008 1.729 1.00 54.53 O ATOM 232 CG2 THR A 15 -11.077 -7.302 0.992 1.00 15.04 C ATOM 0 H THR A 15 -8.117 -7.945 3.630 1.00 35.15 H new ATOM 0 HA THR A 15 -8.654 -6.344 1.238 1.00 45.32 H new ATOM 0 HB THR A 15 -10.631 -7.798 3.030 1.00 32.45 H new ATOM 0 HG1 THR A 15 -9.900 -9.702 2.315 1.00 54.53 H new ATOM 0 HG21 THR A 15 -11.872 -8.043 0.907 1.00 15.04 H new ATOM 0 HG22 THR A 15 -11.508 -6.334 1.249 1.00 15.04 H new ATOM 0 HG23 THR A 15 -10.551 -7.224 0.041 1.00 15.04 H new ATOM 240 N LEU A 16 -9.681 -4.380 2.429 1.00 11.05 N ATOM 241 CA LEU A 16 -10.289 -3.243 3.081 1.00 2.14 C ATOM 242 C LEU A 16 -11.641 -2.980 2.493 1.00 33.13 C ATOM 243 O LEU A 16 -11.830 -3.026 1.270 1.00 12.45 O ATOM 244 CB LEU A 16 -9.457 -1.952 3.002 1.00 51.04 C ATOM 245 CG LEU A 16 -8.219 -1.850 3.893 1.00 10.01 C ATOM 246 CD1 LEU A 16 -7.104 -2.753 3.416 1.00 61.53 C ATOM 247 CD2 LEU A 16 -7.767 -0.408 3.988 1.00 25.04 C ATOM 0 H LEU A 16 -9.438 -4.222 1.451 1.00 11.05 H new ATOM 0 HA LEU A 16 -10.359 -3.512 4.135 1.00 2.14 H new ATOM 0 HB2 LEU A 16 -9.138 -1.821 1.968 1.00 51.04 H new ATOM 0 HB3 LEU A 16 -10.113 -1.115 3.242 1.00 51.04 H new ATOM 0 HG LEU A 16 -8.489 -2.195 4.891 1.00 10.01 H new ATOM 0 HD11 LEU A 16 -6.244 -2.649 4.077 1.00 61.53 H new ATOM 0 HD12 LEU A 16 -7.445 -3.788 3.424 1.00 61.53 H new ATOM 0 HD13 LEU A 16 -6.818 -2.473 2.402 1.00 61.53 H new ATOM 0 HD21 LEU A 16 -6.885 -0.345 4.625 1.00 25.04 H new ATOM 0 HD22 LEU A 16 -7.524 -0.037 2.993 1.00 25.04 H new ATOM 0 HD23 LEU A 16 -8.567 0.197 4.415 1.00 25.04 H new ATOM 259 N ASN A 17 -12.571 -2.700 3.338 1.00 21.12 N ATOM 260 CA ASN A 17 -13.913 -2.416 2.914 1.00 13.22 C ATOM 261 C ASN A 17 -14.081 -0.916 2.756 1.00 33.25 C ATOM 262 O ASN A 17 -14.634 -0.250 3.615 1.00 33.20 O ATOM 263 CB ASN A 17 -14.913 -3.006 3.917 1.00 73.21 C ATOM 264 CG ASN A 17 -16.388 -2.809 3.536 1.00 40.54 C ATOM 265 OD1 ASN A 17 -17.023 -1.851 3.934 1.00 22.33 O ATOM 266 ND2 ASN A 17 -16.936 -3.727 2.776 1.00 50.11 N ATOM 0 H ASN A 17 -12.430 -2.659 4.347 1.00 21.12 H new ATOM 0 HA ASN A 17 -14.110 -2.880 1.948 1.00 13.22 H new ATOM 0 HB2 ASN A 17 -14.717 -4.073 4.021 1.00 73.21 H new ATOM 0 HB3 ASN A 17 -14.739 -2.553 4.893 1.00 73.21 H new ATOM 0 HD21 ASN A 17 -17.916 -3.647 2.506 1.00 50.11 H new ATOM 0 HD22 ASN A 17 -16.382 -4.521 2.455 1.00 50.11 H new ATOM 273 N TYR A 18 -13.449 -0.393 1.716 1.00 14.13 N ATOM 274 CA TYR A 18 -13.494 1.014 1.352 1.00 11.41 C ATOM 275 C TYR A 18 -13.268 1.148 -0.133 1.00 63.42 C ATOM 276 O TYR A 18 -12.635 0.271 -0.749 1.00 52.14 O ATOM 277 CB TYR A 18 -12.478 1.885 2.142 1.00 44.25 C ATOM 278 CG TYR A 18 -12.855 2.111 3.597 1.00 55.01 C ATOM 279 CD1 TYR A 18 -13.990 2.852 3.920 1.00 34.52 C ATOM 280 CD2 TYR A 18 -12.115 1.560 4.640 1.00 14.20 C ATOM 281 CE1 TYR A 18 -14.373 3.045 5.230 1.00 21.14 C ATOM 282 CE2 TYR A 18 -12.500 1.745 5.960 1.00 53.42 C ATOM 283 CZ TYR A 18 -13.631 2.492 6.247 1.00 53.24 C ATOM 284 OH TYR A 18 -14.035 2.674 7.563 1.00 32.43 O ATOM 0 H TYR A 18 -12.875 -0.952 1.085 1.00 14.13 H new ATOM 0 HA TYR A 18 -14.481 1.391 1.619 1.00 11.41 H new ATOM 0 HB2 TYR A 18 -11.498 1.409 2.101 1.00 44.25 H new ATOM 0 HB3 TYR A 18 -12.383 2.852 1.648 1.00 44.25 H new ATOM 0 HD1 TYR A 18 -14.582 3.284 3.127 1.00 34.52 H new ATOM 0 HD2 TYR A 18 -11.230 0.981 4.419 1.00 14.20 H new ATOM 0 HE1 TYR A 18 -15.253 3.629 5.457 1.00 21.14 H new ATOM 0 HE2 TYR A 18 -11.921 1.309 6.760 1.00 53.42 H new ATOM 0 HH TYR A 18 -14.505 1.872 7.875 1.00 32.43 H new ATOM 294 N ASN A 19 -13.756 2.239 -0.688 1.00 4.10 N ATOM 295 CA ASN A 19 -13.748 2.494 -2.121 1.00 53.22 C ATOM 296 C ASN A 19 -12.331 2.695 -2.633 1.00 55.43 C ATOM 297 O ASN A 19 -11.544 3.422 -2.030 1.00 63.44 O ATOM 298 CB ASN A 19 -14.572 3.749 -2.433 1.00 35.44 C ATOM 299 CG ASN A 19 -15.961 3.741 -1.826 1.00 35.04 C ATOM 300 OD1 ASN A 19 -16.139 4.165 -0.694 1.00 72.25 O ATOM 301 ND2 ASN A 19 -16.952 3.298 -2.561 1.00 74.52 N ATOM 0 H ASN A 19 -14.180 2.992 -0.146 1.00 4.10 H new ATOM 0 HA ASN A 19 -14.183 1.627 -2.618 1.00 53.22 H new ATOM 0 HB2 ASN A 19 -14.033 4.624 -2.070 1.00 35.44 H new ATOM 0 HB3 ASN A 19 -14.660 3.854 -3.514 1.00 35.44 H new ATOM 0 HD21 ASN A 19 -17.903 3.301 -2.191 1.00 74.52 H new ATOM 0 HD22 ASN A 19 -16.773 2.950 -3.503 1.00 74.52 H new ATOM 308 N PHE A 20 -12.029 2.071 -3.754 1.00 1.55 N ATOM 309 CA PHE A 20 -10.699 2.124 -4.372 1.00 24.11 C ATOM 310 C PHE A 20 -10.181 3.548 -4.611 1.00 13.21 C ATOM 311 O PHE A 20 -8.993 3.800 -4.451 1.00 63.33 O ATOM 312 CB PHE A 20 -10.682 1.300 -5.671 1.00 13.31 C ATOM 313 CG PHE A 20 -9.430 1.444 -6.506 1.00 31.41 C ATOM 314 CD1 PHE A 20 -8.284 0.739 -6.192 1.00 1.42 C ATOM 315 CD2 PHE A 20 -9.408 2.297 -7.602 1.00 50.20 C ATOM 316 CE1 PHE A 20 -7.142 0.881 -6.951 1.00 14.23 C ATOM 317 CE2 PHE A 20 -8.269 2.443 -8.361 1.00 74.03 C ATOM 318 CZ PHE A 20 -7.137 1.734 -8.036 1.00 64.10 C ATOM 0 H PHE A 20 -12.699 1.505 -4.274 1.00 1.55 H new ATOM 0 HA PHE A 20 -10.008 1.682 -3.654 1.00 24.11 H new ATOM 0 HB2 PHE A 20 -10.812 0.248 -5.417 1.00 13.31 H new ATOM 0 HB3 PHE A 20 -11.540 1.590 -6.278 1.00 13.31 H new ATOM 0 HD1 PHE A 20 -8.283 0.070 -5.344 1.00 1.42 H new ATOM 0 HD2 PHE A 20 -10.296 2.853 -7.862 1.00 50.20 H new ATOM 0 HE1 PHE A 20 -6.252 0.325 -6.697 1.00 14.23 H new ATOM 0 HE2 PHE A 20 -8.265 3.112 -9.209 1.00 74.03 H new ATOM 0 HZ PHE A 20 -6.242 1.845 -8.631 1.00 64.10 H new ATOM 328 N ASN A 21 -11.068 4.474 -4.955 1.00 30.00 N ATOM 329 CA ASN A 21 -10.649 5.849 -5.245 1.00 1.14 C ATOM 330 C ASN A 21 -10.031 6.508 -4.015 1.00 15.55 C ATOM 331 O ASN A 21 -8.944 7.075 -4.094 1.00 41.42 O ATOM 332 CB ASN A 21 -11.792 6.723 -5.843 1.00 3.43 C ATOM 333 CG ASN A 21 -12.997 6.917 -4.924 1.00 33.33 C ATOM 334 OD1 ASN A 21 -13.322 6.054 -4.119 1.00 15.42 O ATOM 335 ND2 ASN A 21 -13.657 8.043 -5.038 1.00 42.41 N ATOM 0 H ASN A 21 -12.070 4.306 -5.041 1.00 30.00 H new ATOM 0 HA ASN A 21 -9.883 5.780 -6.018 1.00 1.14 H new ATOM 0 HB2 ASN A 21 -11.386 7.702 -6.099 1.00 3.43 H new ATOM 0 HB3 ASN A 21 -12.131 6.266 -6.773 1.00 3.43 H new ATOM 0 HD21 ASN A 21 -14.468 8.221 -4.446 1.00 42.41 H new ATOM 0 HD22 ASN A 21 -13.360 8.742 -5.719 1.00 42.41 H new ATOM 342 N THR A 22 -10.691 6.380 -2.875 1.00 44.10 N ATOM 343 CA THR A 22 -10.178 6.943 -1.657 1.00 53.21 C ATOM 344 C THR A 22 -8.930 6.179 -1.185 1.00 40.43 C ATOM 345 O THR A 22 -7.993 6.788 -0.677 1.00 51.53 O ATOM 346 CB THR A 22 -11.265 7.114 -0.533 1.00 2.04 C ATOM 347 OG1 THR A 22 -10.703 7.728 0.634 1.00 11.24 O ATOM 348 CG2 THR A 22 -11.909 5.796 -0.145 1.00 43.03 C ATOM 0 H THR A 22 -11.581 5.890 -2.778 1.00 44.10 H new ATOM 0 HA THR A 22 -9.869 7.963 -1.884 1.00 53.21 H new ATOM 0 HB THR A 22 -12.039 7.759 -0.950 1.00 2.04 H new ATOM 0 HG1 THR A 22 -11.397 7.826 1.319 1.00 11.24 H new ATOM 0 HG21 THR A 22 -12.652 5.969 0.634 1.00 43.03 H new ATOM 0 HG22 THR A 22 -12.394 5.357 -1.017 1.00 43.03 H new ATOM 0 HG23 THR A 22 -11.145 5.113 0.227 1.00 43.03 H new ATOM 356 N VAL A 23 -8.912 4.850 -1.383 1.00 32.12 N ATOM 357 CA VAL A 23 -7.740 4.039 -1.029 1.00 64.43 C ATOM 358 C VAL A 23 -6.520 4.484 -1.847 1.00 31.13 C ATOM 359 O VAL A 23 -5.428 4.658 -1.296 1.00 70.32 O ATOM 360 CB VAL A 23 -7.988 2.511 -1.232 1.00 2.32 C ATOM 361 CG1 VAL A 23 -6.745 1.701 -0.869 1.00 34.30 C ATOM 362 CG2 VAL A 23 -9.168 2.044 -0.396 1.00 12.10 C ATOM 0 H VAL A 23 -9.688 4.321 -1.782 1.00 32.12 H new ATOM 0 HA VAL A 23 -7.550 4.199 0.032 1.00 64.43 H new ATOM 0 HB VAL A 23 -8.213 2.349 -2.286 1.00 2.32 H new ATOM 0 HG11 VAL A 23 -6.945 0.640 -1.020 1.00 34.30 H new ATOM 0 HG12 VAL A 23 -5.913 2.007 -1.504 1.00 34.30 H new ATOM 0 HG13 VAL A 23 -6.488 1.877 0.176 1.00 34.30 H new ATOM 0 HG21 VAL A 23 -9.324 0.977 -0.552 1.00 12.10 H new ATOM 0 HG22 VAL A 23 -8.964 2.231 0.658 1.00 12.10 H new ATOM 0 HG23 VAL A 23 -10.064 2.589 -0.694 1.00 12.10 H new ATOM 372 N TYR A 24 -6.727 4.700 -3.147 1.00 2.10 N ATOM 373 CA TYR A 24 -5.679 5.186 -4.047 1.00 3.31 C ATOM 374 C TYR A 24 -5.122 6.507 -3.535 1.00 31.14 C ATOM 375 O TYR A 24 -3.910 6.695 -3.469 1.00 71.22 O ATOM 376 CB TYR A 24 -6.229 5.343 -5.487 1.00 50.50 C ATOM 377 CG TYR A 24 -5.249 5.922 -6.507 1.00 40.13 C ATOM 378 CD1 TYR A 24 -4.269 5.129 -7.075 1.00 12.15 C ATOM 379 CD2 TYR A 24 -5.317 7.255 -6.907 1.00 1.23 C ATOM 380 CE1 TYR A 24 -3.381 5.630 -8.005 1.00 11.42 C ATOM 381 CE2 TYR A 24 -4.430 7.766 -7.845 1.00 13.03 C ATOM 382 CZ TYR A 24 -3.463 6.941 -8.389 1.00 21.12 C ATOM 383 OH TYR A 24 -2.582 7.432 -9.333 1.00 3.45 O ATOM 0 H TYR A 24 -7.625 4.543 -3.606 1.00 2.10 H new ATOM 0 HA TYR A 24 -4.871 4.455 -4.072 1.00 3.31 H new ATOM 0 HB2 TYR A 24 -6.558 4.366 -5.840 1.00 50.50 H new ATOM 0 HB3 TYR A 24 -7.111 5.983 -5.453 1.00 50.50 H new ATOM 0 HD1 TYR A 24 -4.197 4.092 -6.784 1.00 12.15 H new ATOM 0 HD2 TYR A 24 -6.071 7.900 -6.481 1.00 1.23 H new ATOM 0 HE1 TYR A 24 -2.623 4.989 -8.429 1.00 11.42 H new ATOM 0 HE2 TYR A 24 -4.495 8.801 -8.148 1.00 13.03 H new ATOM 0 HH TYR A 24 -2.488 6.783 -10.061 1.00 3.45 H new ATOM 393 N ASN A 25 -6.019 7.398 -3.143 1.00 44.43 N ATOM 394 CA ASN A 25 -5.644 8.694 -2.623 1.00 1.31 C ATOM 395 C ASN A 25 -4.885 8.559 -1.315 1.00 11.24 C ATOM 396 O ASN A 25 -3.792 9.096 -1.181 1.00 42.24 O ATOM 397 CB ASN A 25 -6.883 9.581 -2.411 1.00 42.15 C ATOM 398 CG ASN A 25 -7.596 10.002 -3.695 1.00 70.53 C ATOM 399 OD1 ASN A 25 -6.862 10.194 -4.771 1.00 1.40 O flip ATOM 400 ND2 ASN A 25 -8.807 10.179 -3.708 1.00 23.33 N flip ATOM 0 H ASN A 25 -7.026 7.239 -3.178 1.00 44.43 H new ATOM 0 HA ASN A 25 -4.993 9.165 -3.360 1.00 1.31 H new ATOM 0 HB2 ASN A 25 -7.591 9.047 -1.777 1.00 42.15 H new ATOM 0 HB3 ASN A 25 -6.582 10.477 -1.868 1.00 42.15 H new ATOM 0 HD21 ASN A 25 -9.354 10.024 -2.861 1.00 23.33 H new ATOM 0 HD22 ASN A 25 -9.269 10.482 -4.565 1.00 23.33 H new ATOM 407 N ALA A 26 -5.436 7.783 -0.393 1.00 22.51 N ATOM 408 CA ALA A 26 -4.874 7.621 0.947 1.00 73.25 C ATOM 409 C ALA A 26 -3.484 7.012 0.911 1.00 51.44 C ATOM 410 O ALA A 26 -2.570 7.515 1.557 1.00 21.31 O ATOM 411 CB ALA A 26 -5.801 6.780 1.811 1.00 24.13 C ATOM 0 H ALA A 26 -6.288 7.245 -0.550 1.00 22.51 H new ATOM 0 HA ALA A 26 -4.782 8.615 1.385 1.00 73.25 H new ATOM 0 HB1 ALA A 26 -5.369 6.668 2.806 1.00 24.13 H new ATOM 0 HB2 ALA A 26 -6.771 7.272 1.890 1.00 24.13 H new ATOM 0 HB3 ALA A 26 -5.928 5.797 1.358 1.00 24.13 H new ATOM 417 N THR A 27 -3.329 5.959 0.129 1.00 3.43 N ATOM 418 CA THR A 27 -2.054 5.285 -0.028 1.00 4.24 C ATOM 419 C THR A 27 -1.018 6.248 -0.621 1.00 71.02 C ATOM 420 O THR A 27 0.119 6.335 -0.141 1.00 4.22 O ATOM 421 CB THR A 27 -2.216 4.060 -0.958 1.00 44.42 C ATOM 422 OG1 THR A 27 -3.265 3.223 -0.460 1.00 61.40 O ATOM 423 CG2 THR A 27 -0.924 3.258 -1.042 1.00 73.32 C ATOM 0 H THR A 27 -4.086 5.547 -0.416 1.00 3.43 H new ATOM 0 HA THR A 27 -1.711 4.951 0.951 1.00 4.24 H new ATOM 0 HB THR A 27 -2.462 4.417 -1.958 1.00 44.42 H new ATOM 0 HG1 THR A 27 -4.133 3.592 -0.727 1.00 61.40 H new ATOM 0 HG21 THR A 27 -1.069 2.403 -1.703 1.00 73.32 H new ATOM 0 HG22 THR A 27 -0.128 3.890 -1.436 1.00 73.32 H new ATOM 0 HG23 THR A 27 -0.649 2.906 -0.048 1.00 73.32 H new ATOM 431 N LEU A 28 -1.448 7.001 -1.628 1.00 23.33 N ATOM 432 CA LEU A 28 -0.601 7.957 -2.306 1.00 4.42 C ATOM 433 C LEU A 28 -0.137 9.034 -1.318 1.00 74.25 C ATOM 434 O LEU A 28 1.063 9.285 -1.174 1.00 24.24 O ATOM 435 CB LEU A 28 -1.392 8.601 -3.452 1.00 11.51 C ATOM 436 CG LEU A 28 -0.658 9.615 -4.316 1.00 4.11 C ATOM 437 CD1 LEU A 28 0.450 8.945 -5.112 1.00 62.31 C ATOM 438 CD2 LEU A 28 -1.626 10.333 -5.241 1.00 72.12 C ATOM 0 H LEU A 28 -2.399 6.960 -1.993 1.00 23.33 H new ATOM 0 HA LEU A 28 0.276 7.451 -2.708 1.00 4.42 H new ATOM 0 HB2 LEU A 28 -1.757 7.805 -4.101 1.00 11.51 H new ATOM 0 HB3 LEU A 28 -2.267 9.091 -3.026 1.00 11.51 H new ATOM 0 HG LEU A 28 -0.203 10.355 -3.658 1.00 4.11 H new ATOM 0 HD11 LEU A 28 0.961 9.690 -5.722 1.00 62.31 H new ATOM 0 HD12 LEU A 28 1.163 8.486 -4.427 1.00 62.31 H new ATOM 0 HD13 LEU A 28 0.022 8.178 -5.758 1.00 62.31 H new ATOM 0 HD21 LEU A 28 -1.080 11.054 -5.850 1.00 72.12 H new ATOM 0 HD22 LEU A 28 -2.116 9.607 -5.890 1.00 72.12 H new ATOM 0 HD23 LEU A 28 -2.377 10.854 -4.648 1.00 72.12 H new ATOM 450 N GLN A 29 -1.096 9.611 -0.605 1.00 2.01 N ATOM 451 CA GLN A 29 -0.833 10.651 0.390 1.00 2.22 C ATOM 452 C GLN A 29 0.090 10.145 1.487 1.00 44.52 C ATOM 453 O GLN A 29 1.024 10.830 1.871 1.00 52.01 O ATOM 454 CB GLN A 29 -2.134 11.156 1.019 1.00 54.30 C ATOM 455 CG GLN A 29 -3.087 11.838 0.052 1.00 21.45 C ATOM 456 CD GLN A 29 -4.403 12.218 0.710 1.00 32.21 C ATOM 457 OE1 GLN A 29 -5.354 11.448 0.711 1.00 71.12 O ATOM 458 NE2 GLN A 29 -4.465 13.395 1.280 1.00 61.43 N ATOM 0 H GLN A 29 -2.083 9.372 -0.699 1.00 2.01 H new ATOM 0 HA GLN A 29 -0.346 11.474 -0.132 1.00 2.22 H new ATOM 0 HB2 GLN A 29 -2.649 10.313 1.481 1.00 54.30 H new ATOM 0 HB3 GLN A 29 -1.887 11.855 1.818 1.00 54.30 H new ATOM 0 HG2 GLN A 29 -2.613 12.733 -0.351 1.00 21.45 H new ATOM 0 HG3 GLN A 29 -3.283 11.174 -0.790 1.00 21.45 H new ATOM 0 HE21 GLN A 29 -3.654 14.014 1.262 1.00 61.43 H new ATOM 0 HE22 GLN A 29 -5.324 13.693 1.742 1.00 61.43 H new ATOM 467 N ALA A 30 -0.161 8.939 1.954 1.00 12.00 N ATOM 468 CA ALA A 30 0.611 8.339 3.028 1.00 0.54 C ATOM 469 C ALA A 30 2.089 8.261 2.687 1.00 2.51 C ATOM 470 O ALA A 30 2.944 8.649 3.488 1.00 2.12 O ATOM 471 CB ALA A 30 0.090 6.942 3.336 1.00 51.34 C ATOM 0 H ALA A 30 -0.909 8.343 1.599 1.00 12.00 H new ATOM 0 HA ALA A 30 0.497 8.978 3.904 1.00 0.54 H new ATOM 0 HB1 ALA A 30 0.678 6.504 4.143 1.00 51.34 H new ATOM 0 HB2 ALA A 30 -0.955 7.002 3.640 1.00 51.34 H new ATOM 0 HB3 ALA A 30 0.174 6.318 2.446 1.00 51.34 H new ATOM 477 N ILE A 31 2.394 7.801 1.508 1.00 61.31 N ATOM 478 CA ILE A 31 3.766 7.602 1.173 1.00 21.43 C ATOM 479 C ILE A 31 4.474 8.867 0.619 1.00 62.24 C ATOM 480 O ILE A 31 5.556 9.216 1.088 1.00 75.50 O ATOM 481 CB ILE A 31 3.948 6.370 0.242 1.00 62.40 C ATOM 482 CG1 ILE A 31 5.417 6.113 -0.022 1.00 62.24 C ATOM 483 CG2 ILE A 31 3.174 6.525 -1.067 1.00 52.21 C ATOM 484 CD1 ILE A 31 5.680 4.865 -0.813 1.00 31.34 C ATOM 0 H ILE A 31 1.723 7.562 0.778 1.00 61.31 H new ATOM 0 HA ILE A 31 4.273 7.390 2.114 1.00 21.43 H new ATOM 0 HB ILE A 31 3.534 5.504 0.758 1.00 62.40 H new ATOM 0 HG12 ILE A 31 5.835 6.966 -0.556 1.00 62.24 H new ATOM 0 HG13 ILE A 31 5.942 6.046 0.931 1.00 62.24 H new ATOM 0 HG21 ILE A 31 3.329 5.643 -1.688 1.00 52.21 H new ATOM 0 HG22 ILE A 31 2.111 6.635 -0.851 1.00 52.21 H new ATOM 0 HG23 ILE A 31 3.529 7.408 -1.597 1.00 52.21 H new ATOM 0 HD11 ILE A 31 6.753 4.748 -0.962 1.00 31.34 H new ATOM 0 HD12 ILE A 31 5.293 4.002 -0.271 1.00 31.34 H new ATOM 0 HD13 ILE A 31 5.185 4.937 -1.781 1.00 31.34 H new ATOM 496 N GLN A 32 3.850 9.591 -0.311 1.00 41.15 N ATOM 497 CA GLN A 32 4.535 10.742 -0.921 1.00 34.44 C ATOM 498 C GLN A 32 4.594 11.956 -0.014 1.00 53.44 C ATOM 499 O GLN A 32 5.523 12.743 -0.081 1.00 5.11 O ATOM 500 CB GLN A 32 3.985 11.117 -2.295 1.00 43.12 C ATOM 501 CG GLN A 32 2.574 11.671 -2.321 1.00 20.51 C ATOM 502 CD GLN A 32 2.154 12.076 -3.714 1.00 50.32 C ATOM 503 OE1 GLN A 32 2.595 11.509 -4.702 1.00 2.35 O ATOM 504 NE2 GLN A 32 1.306 13.066 -3.807 1.00 44.14 N ATOM 0 H GLN A 32 2.905 9.414 -0.652 1.00 41.15 H new ATOM 0 HA GLN A 32 5.559 10.398 -1.068 1.00 34.44 H new ATOM 0 HB2 GLN A 32 4.651 11.855 -2.741 1.00 43.12 H new ATOM 0 HB3 GLN A 32 4.018 10.232 -2.931 1.00 43.12 H new ATOM 0 HG2 GLN A 32 1.882 10.921 -1.937 1.00 20.51 H new ATOM 0 HG3 GLN A 32 2.510 12.533 -1.657 1.00 20.51 H new ATOM 0 HE21 GLN A 32 0.956 13.519 -2.963 1.00 44.14 H new ATOM 0 HE22 GLN A 32 0.994 13.386 -4.724 1.00 44.14 H new ATOM 513 N ASN A 33 3.605 12.092 0.838 1.00 43.02 N ATOM 514 CA ASN A 33 3.503 13.261 1.728 1.00 25.22 C ATOM 515 C ASN A 33 4.252 12.988 3.052 1.00 35.32 C ATOM 516 O ASN A 33 4.075 13.686 4.050 1.00 34.22 O ATOM 517 CB ASN A 33 2.012 13.615 1.942 1.00 70.11 C ATOM 518 CG ASN A 33 1.745 14.967 2.609 1.00 35.42 C ATOM 519 OD1 ASN A 33 1.429 14.963 3.882 1.00 15.21 O flip ATOM 520 ND2 ASN A 33 1.718 15.991 1.949 1.00 51.02 N flip ATOM 0 H ASN A 33 2.850 11.414 0.946 1.00 43.02 H new ATOM 0 HA ASN A 33 3.982 14.127 1.272 1.00 25.22 H new ATOM 0 HB2 ASN A 33 1.511 13.602 0.974 1.00 70.11 H new ATOM 0 HB3 ASN A 33 1.554 12.834 2.549 1.00 70.11 H new ATOM 0 HD21 ASN A 33 1.968 15.967 0.960 1.00 51.02 H new ATOM 0 HD22 ASN A 33 1.445 16.872 2.385 1.00 51.02 H new ATOM 527 N GLY A 34 5.073 11.938 3.021 1.00 42.52 N ATOM 528 CA GLY A 34 5.986 11.595 4.114 1.00 54.35 C ATOM 529 C GLY A 34 5.301 11.253 5.412 1.00 13.43 C ATOM 530 O GLY A 34 5.708 11.710 6.469 1.00 13.43 O ATOM 0 H GLY A 34 5.124 11.296 2.230 1.00 42.52 H new ATOM 0 HA2 GLY A 34 6.600 10.748 3.807 1.00 54.35 H new ATOM 0 HA3 GLY A 34 6.662 12.433 4.284 1.00 54.35 H new ATOM 534 N GLN A 35 4.279 10.438 5.340 1.00 41.03 N ATOM 535 CA GLN A 35 3.521 10.067 6.525 1.00 71.11 C ATOM 536 C GLN A 35 3.993 8.731 7.074 1.00 73.31 C ATOM 537 O GLN A 35 3.479 8.224 8.062 1.00 4.50 O ATOM 538 CB GLN A 35 2.031 10.086 6.199 1.00 14.43 C ATOM 539 CG GLN A 35 1.623 11.454 5.689 1.00 33.24 C ATOM 540 CD GLN A 35 1.747 12.523 6.767 1.00 74.42 C ATOM 541 OE1 GLN A 35 1.471 12.276 7.927 1.00 2.24 O ATOM 542 NE2 GLN A 35 2.318 13.650 6.425 1.00 54.31 N ATOM 0 H GLN A 35 3.946 10.014 4.474 1.00 41.03 H new ATOM 0 HA GLN A 35 3.694 10.794 7.318 1.00 71.11 H new ATOM 0 HB2 GLN A 35 1.806 9.328 5.448 1.00 14.43 H new ATOM 0 HB3 GLN A 35 1.454 9.835 7.089 1.00 14.43 H new ATOM 0 HG2 GLN A 35 2.246 11.724 4.837 1.00 33.24 H new ATOM 0 HG3 GLN A 35 0.594 11.416 5.332 1.00 33.24 H new ATOM 0 HE21 GLN A 35 2.539 13.833 5.446 1.00 54.31 H new ATOM 0 HE22 GLN A 35 2.542 14.345 7.137 1.00 54.31 H new ATOM 551 N THR A 36 4.970 8.168 6.416 1.00 62.12 N ATOM 552 CA THR A 36 5.564 6.944 6.835 1.00 53.53 C ATOM 553 C THR A 36 7.066 7.002 6.534 1.00 5.13 C ATOM 554 O THR A 36 7.477 7.413 5.444 1.00 45.43 O ATOM 555 CB THR A 36 4.866 5.703 6.171 1.00 64.04 C ATOM 556 OG1 THR A 36 5.446 4.480 6.636 1.00 11.23 O ATOM 557 CG2 THR A 36 4.923 5.753 4.642 1.00 55.32 C ATOM 0 H THR A 36 5.375 8.557 5.565 1.00 62.12 H new ATOM 0 HA THR A 36 5.425 6.817 7.909 1.00 53.53 H new ATOM 0 HB THR A 36 3.818 5.741 6.468 1.00 64.04 H new ATOM 0 HG1 THR A 36 4.995 3.721 6.211 1.00 11.23 H new ATOM 0 HG21 THR A 36 4.427 4.874 4.230 1.00 55.32 H new ATOM 0 HG22 THR A 36 4.419 6.652 4.288 1.00 55.32 H new ATOM 0 HG23 THR A 36 5.963 5.768 4.317 1.00 55.32 H new ATOM 565 N PHE A 37 7.874 6.688 7.527 1.00 74.45 N ATOM 566 CA PHE A 37 9.309 6.728 7.385 1.00 5.34 C ATOM 567 C PHE A 37 9.926 5.392 7.778 1.00 53.12 C ATOM 568 O PHE A 37 9.289 4.587 8.454 1.00 14.02 O ATOM 569 CB PHE A 37 9.930 7.892 8.198 1.00 13.30 C ATOM 570 CG PHE A 37 9.709 7.829 9.696 1.00 13.14 C ATOM 571 CD1 PHE A 37 8.554 8.345 10.267 1.00 12.22 C ATOM 572 CD2 PHE A 37 10.664 7.263 10.527 1.00 1.43 C ATOM 573 CE1 PHE A 37 8.357 8.294 11.633 1.00 60.12 C ATOM 574 CE2 PHE A 37 10.473 7.210 11.893 1.00 23.12 C ATOM 575 CZ PHE A 37 9.319 7.725 12.448 1.00 73.10 C ATOM 0 H PHE A 37 7.552 6.399 8.451 1.00 74.45 H new ATOM 0 HA PHE A 37 9.534 6.911 6.334 1.00 5.34 H new ATOM 0 HB2 PHE A 37 11.003 7.914 8.007 1.00 13.30 H new ATOM 0 HB3 PHE A 37 9.520 8.831 7.827 1.00 13.30 H new ATOM 0 HD1 PHE A 37 7.800 8.792 9.636 1.00 12.22 H new ATOM 0 HD2 PHE A 37 11.569 6.858 10.100 1.00 1.43 H new ATOM 0 HE1 PHE A 37 7.453 8.698 12.064 1.00 60.12 H new ATOM 0 HE2 PHE A 37 11.226 6.766 12.527 1.00 23.12 H new ATOM 0 HZ PHE A 37 9.167 7.684 13.517 1.00 73.10 H new ATOM 585 N ASP A 38 11.129 5.150 7.316 1.00 43.24 N ATOM 586 CA ASP A 38 11.882 3.953 7.680 1.00 73.33 C ATOM 587 C ASP A 38 12.859 4.372 8.750 1.00 52.44 C ATOM 588 O ASP A 38 13.105 5.570 8.907 1.00 73.53 O ATOM 589 CB ASP A 38 12.653 3.381 6.460 1.00 50.34 C ATOM 590 CG ASP A 38 13.391 2.066 6.755 1.00 71.24 C ATOM 591 OD1 ASP A 38 14.549 2.100 7.253 1.00 33.33 O ATOM 592 OD2 ASP A 38 12.827 0.995 6.508 1.00 51.11 O ATOM 0 H ASP A 38 11.622 5.772 6.676 1.00 43.24 H new ATOM 0 HA ASP A 38 11.208 3.171 8.029 1.00 73.33 H new ATOM 0 HB2 ASP A 38 11.951 3.217 5.642 1.00 50.34 H new ATOM 0 HB3 ASP A 38 13.374 4.123 6.117 1.00 50.34 H new ATOM 597 N TYR A 39 13.447 3.432 9.443 1.00 55.52 N ATOM 598 CA TYR A 39 14.367 3.742 10.513 1.00 52.35 C ATOM 599 C TYR A 39 15.672 4.370 9.989 1.00 74.15 C ATOM 600 O TYR A 39 16.406 4.984 10.743 1.00 42.02 O ATOM 601 CB TYR A 39 14.631 2.510 11.412 1.00 74.00 C ATOM 602 CG TYR A 39 15.208 1.285 10.712 1.00 61.04 C ATOM 603 CD1 TYR A 39 14.378 0.342 10.107 1.00 11.25 C ATOM 604 CD2 TYR A 39 16.578 1.065 10.673 1.00 2.12 C ATOM 605 CE1 TYR A 39 14.900 -0.775 9.483 1.00 5.44 C ATOM 606 CE2 TYR A 39 17.106 -0.049 10.054 1.00 13.50 C ATOM 607 CZ TYR A 39 16.265 -0.964 9.461 1.00 70.22 C ATOM 608 OH TYR A 39 16.796 -2.075 8.845 1.00 15.55 O ATOM 0 H TYR A 39 13.305 2.434 9.285 1.00 55.52 H new ATOM 0 HA TYR A 39 13.890 4.496 11.139 1.00 52.35 H new ATOM 0 HB2 TYR A 39 15.315 2.805 12.208 1.00 74.00 H new ATOM 0 HB3 TYR A 39 13.693 2.224 11.888 1.00 74.00 H new ATOM 0 HD1 TYR A 39 13.308 0.487 10.126 1.00 11.25 H new ATOM 0 HD2 TYR A 39 17.243 1.779 11.136 1.00 2.12 H new ATOM 0 HE1 TYR A 39 14.243 -1.494 9.016 1.00 5.44 H new ATOM 0 HE2 TYR A 39 18.175 -0.203 10.035 1.00 13.50 H new ATOM 0 HH TYR A 39 16.556 -2.069 7.895 1.00 15.55 H new ATOM 618 N LYS A 40 15.957 4.207 8.692 1.00 15.22 N ATOM 619 CA LYS A 40 17.133 4.832 8.114 1.00 44.33 C ATOM 620 C LYS A 40 16.728 6.085 7.346 1.00 22.14 C ATOM 621 O LYS A 40 17.567 6.707 6.702 1.00 2.33 O ATOM 622 CB LYS A 40 17.762 3.908 7.105 1.00 61.32 C ATOM 623 CG LYS A 40 17.829 2.471 7.504 1.00 44.23 C ATOM 624 CD LYS A 40 18.419 1.653 6.387 1.00 2.31 C ATOM 625 CE LYS A 40 17.753 0.312 6.318 1.00 15.33 C ATOM 626 NZ LYS A 40 16.326 0.431 5.911 1.00 45.54 N ATOM 0 H LYS A 40 15.397 3.657 8.041 1.00 15.22 H new ATOM 0 HA LYS A 40 17.822 5.065 8.926 1.00 44.33 H new ATOM 0 HB2 LYS A 40 17.203 3.982 6.172 1.00 61.32 H new ATOM 0 HB3 LYS A 40 18.774 4.258 6.899 1.00 61.32 H new ATOM 0 HG2 LYS A 40 18.435 2.363 8.404 1.00 44.23 H new ATOM 0 HG3 LYS A 40 16.831 2.105 7.746 1.00 44.23 H new ATOM 0 HD2 LYS A 40 18.296 2.177 5.439 1.00 2.31 H new ATOM 0 HD3 LYS A 40 19.490 1.527 6.545 1.00 2.31 H new ATOM 0 HE2 LYS A 40 18.283 -0.322 5.608 1.00 15.33 H new ATOM 0 HE3 LYS A 40 17.815 -0.177 7.290 1.00 15.33 H new ATOM 0 HZ1 LYS A 40 15.860 -0.494 6.004 1.00 45.54 H new ATOM 0 HZ2 LYS A 40 15.847 1.123 6.522 1.00 45.54 H new ATOM 0 HZ3 LYS A 40 16.272 0.748 4.922 1.00 45.54 H new ATOM 640 N SER A 41 15.439 6.440 7.425 1.00 73.13 N ATOM 641 CA SER A 41 14.880 7.582 6.699 1.00 12.34 C ATOM 642 C SER A 41 15.074 7.402 5.162 1.00 64.30 C ATOM 643 O SER A 41 15.317 8.369 4.434 1.00 14.00 O ATOM 644 CB SER A 41 15.522 8.903 7.213 1.00 24.34 C ATOM 645 OG SER A 41 14.951 10.044 6.596 1.00 1.23 O ATOM 0 H SER A 41 14.756 5.941 7.995 1.00 73.13 H new ATOM 0 HA SER A 41 13.807 7.636 6.885 1.00 12.34 H new ATOM 0 HB2 SER A 41 15.394 8.972 8.293 1.00 24.34 H new ATOM 0 HB3 SER A 41 16.595 8.884 7.020 1.00 24.34 H new ATOM 0 HG SER A 41 14.825 9.870 5.640 1.00 1.23 H new ATOM 651 N ASN A 42 14.894 6.163 4.685 1.00 24.23 N ATOM 652 CA ASN A 42 15.079 5.830 3.261 1.00 53.11 C ATOM 653 C ASN A 42 14.036 6.515 2.383 1.00 43.13 C ATOM 654 O ASN A 42 12.905 6.735 2.823 1.00 52.42 O ATOM 655 CB ASN A 42 14.955 4.325 3.009 1.00 2.02 C ATOM 656 CG ASN A 42 15.956 3.480 3.741 1.00 53.23 C ATOM 657 OD1 ASN A 42 15.697 3.026 4.833 1.00 34.14 O ATOM 658 ND2 ASN A 42 17.110 3.306 3.179 1.00 20.24 N ATOM 0 H ASN A 42 14.619 5.370 5.265 1.00 24.23 H new ATOM 0 HA ASN A 42 16.081 6.177 3.007 1.00 53.11 H new ATOM 0 HB2 ASN A 42 13.953 4.005 3.293 1.00 2.02 H new ATOM 0 HB3 ASN A 42 15.057 4.140 1.940 1.00 2.02 H new ATOM 0 HD21 ASN A 42 17.835 2.772 3.658 1.00 20.24 H new ATOM 0 HD22 ASN A 42 17.294 3.703 2.258 1.00 20.24 H new ATOM 665 N PRO A 43 14.432 6.910 1.148 1.00 41.45 N ATOM 666 CA PRO A 43 13.525 7.487 0.139 1.00 12.24 C ATOM 667 C PRO A 43 12.248 6.661 -0.079 1.00 10.32 C ATOM 668 O PRO A 43 12.288 5.490 -0.493 1.00 4.21 O ATOM 669 CB PRO A 43 14.374 7.481 -1.127 1.00 43.00 C ATOM 670 CG PRO A 43 15.746 7.681 -0.630 1.00 64.41 C ATOM 671 CD PRO A 43 15.826 6.899 0.649 1.00 22.44 C ATOM 0 HA PRO A 43 13.166 8.470 0.443 1.00 12.24 H new ATOM 0 HB2 PRO A 43 14.278 6.540 -1.669 1.00 43.00 H new ATOM 0 HB3 PRO A 43 14.077 8.275 -1.812 1.00 43.00 H new ATOM 0 HG2 PRO A 43 16.481 7.327 -1.353 1.00 64.41 H new ATOM 0 HG3 PRO A 43 15.951 8.738 -0.458 1.00 64.41 H new ATOM 0 HD2 PRO A 43 16.183 5.884 0.477 1.00 22.44 H new ATOM 0 HD3 PRO A 43 16.511 7.361 1.360 1.00 22.44 H new ATOM 679 N TYR A 44 11.147 7.280 0.253 1.00 52.11 N ATOM 680 CA TYR A 44 9.805 6.752 0.087 1.00 23.51 C ATOM 681 C TYR A 44 9.173 7.259 -1.176 1.00 71.53 C ATOM 682 O TYR A 44 8.053 6.875 -1.525 1.00 1.43 O ATOM 683 CB TYR A 44 8.902 7.032 1.284 1.00 62.15 C ATOM 684 CG TYR A 44 8.968 5.981 2.363 1.00 15.35 C ATOM 685 CD1 TYR A 44 8.108 4.886 2.334 1.00 21.04 C ATOM 686 CD2 TYR A 44 9.858 6.077 3.406 1.00 50.40 C ATOM 687 CE1 TYR A 44 8.139 3.926 3.322 1.00 73.11 C ATOM 688 CE2 TYR A 44 9.900 5.120 4.389 1.00 33.25 C ATOM 689 CZ TYR A 44 9.037 4.047 4.347 1.00 62.43 C ATOM 690 OH TYR A 44 9.065 3.100 5.350 1.00 32.22 O ATOM 0 H TYR A 44 11.154 8.212 0.667 1.00 52.11 H new ATOM 0 HA TYR A 44 9.913 5.670 0.017 1.00 23.51 H new ATOM 0 HB2 TYR A 44 9.174 7.996 1.713 1.00 62.15 H new ATOM 0 HB3 TYR A 44 7.872 7.117 0.937 1.00 62.15 H new ATOM 0 HD1 TYR A 44 7.403 4.787 1.522 1.00 21.04 H new ATOM 0 HD2 TYR A 44 10.534 6.918 3.453 1.00 50.40 H new ATOM 0 HE1 TYR A 44 7.461 3.086 3.288 1.00 73.11 H new ATOM 0 HE2 TYR A 44 10.611 5.208 5.197 1.00 33.25 H new ATOM 0 HH TYR A 44 9.761 3.332 6.000 1.00 32.22 H new ATOM 700 N ASP A 45 9.873 8.088 -1.876 1.00 42.33 N ATOM 701 CA ASP A 45 9.310 8.783 -2.980 1.00 42.45 C ATOM 702 C ASP A 45 9.196 7.873 -4.175 1.00 11.45 C ATOM 703 O ASP A 45 10.058 7.042 -4.485 1.00 21.24 O ATOM 704 CB ASP A 45 10.117 10.046 -3.292 1.00 41.24 C ATOM 705 CG ASP A 45 11.598 9.773 -3.430 1.00 40.11 C ATOM 706 OD1 ASP A 45 12.241 9.484 -2.378 1.00 5.33 O ATOM 707 OD2 ASP A 45 12.113 9.832 -4.550 1.00 51.53 O ATOM 0 H ASP A 45 10.854 8.302 -1.696 1.00 42.33 H new ATOM 0 HA ASP A 45 8.301 9.102 -2.718 1.00 42.45 H new ATOM 0 HB2 ASP A 45 9.746 10.490 -4.216 1.00 41.24 H new ATOM 0 HB3 ASP A 45 9.959 10.778 -2.500 1.00 41.24 H new ATOM 712 N ILE A 46 8.036 7.981 -4.750 1.00 23.54 N ATOM 713 CA ILE A 46 7.534 7.108 -5.765 1.00 71.25 C ATOM 714 C ILE A 46 8.305 7.245 -7.049 1.00 24.12 C ATOM 715 O ILE A 46 8.362 8.316 -7.640 1.00 41.25 O ATOM 716 CB ILE A 46 6.036 7.410 -5.992 1.00 54.43 C ATOM 717 CG1 ILE A 46 5.300 7.327 -4.645 1.00 41.10 C ATOM 718 CG2 ILE A 46 5.429 6.440 -6.999 1.00 65.32 C ATOM 719 CD1 ILE A 46 3.848 7.697 -4.705 1.00 71.53 C ATOM 0 H ILE A 46 7.379 8.723 -4.509 1.00 23.54 H new ATOM 0 HA ILE A 46 7.656 6.078 -5.431 1.00 71.25 H new ATOM 0 HB ILE A 46 5.931 8.414 -6.403 1.00 54.43 H new ATOM 0 HG12 ILE A 46 5.387 6.311 -4.260 1.00 41.10 H new ATOM 0 HG13 ILE A 46 5.800 7.982 -3.932 1.00 41.10 H new ATOM 0 HG21 ILE A 46 4.374 6.675 -7.140 1.00 65.32 H new ATOM 0 HG22 ILE A 46 5.951 6.530 -7.951 1.00 65.32 H new ATOM 0 HG23 ILE A 46 5.527 5.420 -6.627 1.00 65.32 H new ATOM 0 HD11 ILE A 46 3.409 7.610 -3.711 1.00 71.53 H new ATOM 0 HD12 ILE A 46 3.748 8.724 -5.057 1.00 71.53 H new ATOM 0 HD13 ILE A 46 3.330 7.026 -5.390 1.00 71.53 H new ATOM 731 N SER A 47 8.862 6.151 -7.491 1.00 53.23 N ATOM 732 CA SER A 47 9.643 6.160 -8.677 1.00 32.31 C ATOM 733 C SER A 47 8.753 5.784 -9.872 1.00 34.13 C ATOM 734 O SER A 47 8.972 6.246 -10.989 1.00 23.43 O ATOM 735 CB SER A 47 10.757 5.134 -8.504 1.00 11.43 C ATOM 736 OG SER A 47 11.358 5.261 -7.211 1.00 54.14 O ATOM 0 H SER A 47 8.783 5.241 -7.038 1.00 53.23 H new ATOM 0 HA SER A 47 10.068 7.147 -8.860 1.00 32.31 H new ATOM 0 HB2 SER A 47 10.356 4.128 -8.628 1.00 11.43 H new ATOM 0 HB3 SER A 47 11.512 5.274 -9.278 1.00 11.43 H new ATOM 0 HG SER A 47 12.070 4.595 -7.114 1.00 54.14 H new ATOM 742 N VAL A 48 7.725 4.953 -9.627 1.00 52.44 N ATOM 743 CA VAL A 48 6.749 4.627 -10.665 1.00 4.31 C ATOM 744 C VAL A 48 5.357 4.540 -10.033 1.00 51.33 C ATOM 745 O VAL A 48 5.178 3.875 -9.022 1.00 43.41 O ATOM 746 CB VAL A 48 7.040 3.236 -11.342 1.00 1.11 C ATOM 747 CG1 VAL A 48 6.088 2.980 -12.503 1.00 61.34 C ATOM 748 CG2 VAL A 48 8.487 3.094 -11.804 1.00 2.14 C ATOM 0 H VAL A 48 7.555 4.503 -8.728 1.00 52.44 H new ATOM 0 HA VAL A 48 6.811 5.410 -11.421 1.00 4.31 H new ATOM 0 HB VAL A 48 6.872 2.482 -10.573 1.00 1.11 H new ATOM 0 HG11 VAL A 48 6.313 2.012 -12.951 1.00 61.34 H new ATOM 0 HG12 VAL A 48 5.061 2.981 -12.138 1.00 61.34 H new ATOM 0 HG13 VAL A 48 6.208 3.763 -13.252 1.00 61.34 H new ATOM 0 HG21 VAL A 48 8.628 2.115 -12.263 1.00 2.14 H new ATOM 0 HG22 VAL A 48 8.714 3.872 -12.532 1.00 2.14 H new ATOM 0 HG23 VAL A 48 9.154 3.193 -10.947 1.00 2.14 H new ATOM 758 N ASN A 49 4.408 5.206 -10.615 1.00 74.15 N ATOM 759 CA ASN A 49 3.002 5.087 -10.238 1.00 72.05 C ATOM 760 C ASN A 49 2.261 4.571 -11.446 1.00 63.12 C ATOM 761 O ASN A 49 2.508 5.066 -12.551 1.00 73.21 O ATOM 762 CB ASN A 49 2.431 6.441 -9.762 1.00 3.21 C ATOM 763 CG ASN A 49 0.927 6.408 -9.472 1.00 64.12 C ATOM 764 OD1 ASN A 49 0.374 5.385 -9.114 1.00 53.34 O ATOM 765 ND2 ASN A 49 0.274 7.537 -9.607 1.00 24.03 N ATOM 0 H ASN A 49 4.574 5.862 -11.379 1.00 74.15 H new ATOM 0 HA ASN A 49 2.888 4.400 -9.400 1.00 72.05 H new ATOM 0 HB2 ASN A 49 2.959 6.751 -8.860 1.00 3.21 H new ATOM 0 HB3 ASN A 49 2.629 7.196 -10.523 1.00 3.21 H new ATOM 0 HD21 ASN A 49 -0.726 7.574 -9.410 1.00 24.03 H new ATOM 0 HD22 ASN A 49 0.766 8.378 -9.909 1.00 24.03 H new ATOM 772 N LYS A 50 1.421 3.583 -11.301 1.00 71.22 N ATOM 773 CA LYS A 50 0.701 3.102 -12.459 1.00 23.21 C ATOM 774 C LYS A 50 -0.778 3.032 -12.134 1.00 53.31 C ATOM 775 O LYS A 50 -1.156 2.591 -11.046 1.00 30.13 O ATOM 776 CB LYS A 50 1.140 1.668 -12.744 1.00 35.42 C ATOM 777 CG LYS A 50 2.641 1.418 -12.771 1.00 74.14 C ATOM 778 CD LYS A 50 2.884 -0.068 -12.685 1.00 55.24 C ATOM 779 CE LYS A 50 4.343 -0.444 -12.534 1.00 54.02 C ATOM 780 NZ LYS A 50 4.494 -1.916 -12.356 1.00 12.52 N ATOM 0 H LYS A 50 1.218 3.104 -10.423 1.00 71.22 H new ATOM 0 HA LYS A 50 0.894 3.766 -13.302 1.00 23.21 H new ATOM 0 HB2 LYS A 50 0.698 1.018 -11.989 1.00 35.42 H new ATOM 0 HB3 LYS A 50 0.725 1.367 -13.706 1.00 35.42 H new ATOM 0 HG2 LYS A 50 3.075 1.820 -13.687 1.00 74.14 H new ATOM 0 HG3 LYS A 50 3.124 1.929 -11.938 1.00 74.14 H new ATOM 0 HD2 LYS A 50 2.326 -0.469 -11.839 1.00 55.24 H new ATOM 0 HD3 LYS A 50 2.487 -0.543 -13.582 1.00 55.24 H new ATOM 0 HE2 LYS A 50 4.900 -0.120 -13.414 1.00 54.02 H new ATOM 0 HE3 LYS A 50 4.771 0.076 -11.677 1.00 54.02 H new ATOM 0 HZ1 LYS A 50 5.153 -2.105 -11.574 1.00 12.52 H new ATOM 0 HZ2 LYS A 50 3.568 -2.336 -12.138 1.00 12.52 H new ATOM 0 HZ3 LYS A 50 4.867 -2.335 -13.232 1.00 12.52 H new ATOM 794 N ASN A 51 -1.607 3.404 -13.081 1.00 30.23 N ATOM 795 CA ASN A 51 -3.039 3.212 -12.969 1.00 10.42 C ATOM 796 C ASN A 51 -3.485 2.170 -13.975 1.00 41.33 C ATOM 797 O ASN A 51 -3.235 2.322 -15.159 1.00 35.54 O ATOM 798 CB ASN A 51 -3.862 4.512 -13.139 1.00 31.00 C ATOM 799 CG ASN A 51 -3.644 5.574 -12.051 1.00 44.02 C ATOM 800 OD1 ASN A 51 -2.589 5.684 -11.459 1.00 30.43 O ATOM 801 ND2 ASN A 51 -4.659 6.372 -11.795 1.00 24.32 N ATOM 0 H ASN A 51 -1.311 3.848 -13.950 1.00 30.23 H new ATOM 0 HA ASN A 51 -3.233 2.872 -11.952 1.00 10.42 H new ATOM 0 HB2 ASN A 51 -3.620 4.952 -14.107 1.00 31.00 H new ATOM 0 HB3 ASN A 51 -4.920 4.252 -13.163 1.00 31.00 H new ATOM 0 HD21 ASN A 51 -4.569 7.101 -11.087 1.00 24.32 H new ATOM 0 HD22 ASN A 51 -5.536 6.261 -12.304 1.00 24.32 H new ATOM 808 N ASN A 52 -4.132 1.139 -13.519 1.00 40.15 N ATOM 809 CA ASN A 52 -4.655 0.068 -14.391 1.00 65.30 C ATOM 810 C ASN A 52 -6.179 0.274 -14.559 1.00 65.13 C ATOM 811 O ASN A 52 -6.903 -0.570 -15.066 1.00 53.52 O ATOM 812 CB ASN A 52 -4.353 -1.316 -13.736 1.00 13.43 C ATOM 813 CG ASN A 52 -4.726 -2.526 -14.591 1.00 64.32 C ATOM 814 OD1 ASN A 52 -4.667 -2.484 -15.807 1.00 53.35 O ATOM 815 ND2 ASN A 52 -5.111 -3.615 -13.951 1.00 20.45 N ATOM 0 H ASN A 52 -4.326 0.994 -12.528 1.00 40.15 H new ATOM 0 HA ASN A 52 -4.179 0.099 -15.371 1.00 65.30 H new ATOM 0 HB2 ASN A 52 -3.289 -1.367 -13.503 1.00 13.43 H new ATOM 0 HB3 ASN A 52 -4.890 -1.379 -12.789 1.00 13.43 H new ATOM 0 HD21 ASN A 52 -5.369 -4.451 -14.476 1.00 20.45 H new ATOM 0 HD22 ASN A 52 -5.151 -3.620 -12.932 1.00 20.45 H new ATOM 822 N GLY A 53 -6.665 1.404 -14.056 1.00 12.12 N ATOM 823 CA GLY A 53 -8.089 1.747 -14.162 1.00 31.53 C ATOM 824 C GLY A 53 -8.898 1.073 -13.071 1.00 41.11 C ATOM 825 O GLY A 53 -9.728 1.698 -12.378 1.00 65.54 O ATOM 0 H GLY A 53 -6.099 2.100 -13.571 1.00 12.12 H new ATOM 0 HA2 GLY A 53 -8.211 2.828 -14.094 1.00 31.53 H new ATOM 0 HA3 GLY A 53 -8.467 1.444 -15.138 1.00 31.53 H new ATOM 829 N THR A 54 -8.705 -0.194 -12.951 1.00 33.23 N ATOM 830 CA THR A 54 -9.261 -0.942 -11.890 1.00 13.31 C ATOM 831 C THR A 54 -8.317 -0.950 -10.748 1.00 65.35 C ATOM 832 O THR A 54 -8.703 -0.706 -9.638 1.00 15.14 O ATOM 833 CB THR A 54 -9.687 -2.394 -12.314 1.00 1.12 C ATOM 834 OG1 THR A 54 -10.015 -3.185 -11.161 1.00 62.01 O ATOM 835 CG2 THR A 54 -8.621 -3.096 -13.154 1.00 20.44 C ATOM 0 H THR A 54 -8.145 -0.745 -13.602 1.00 33.23 H new ATOM 0 HA THR A 54 -10.187 -0.455 -11.585 1.00 13.31 H new ATOM 0 HB THR A 54 -10.573 -2.291 -12.940 1.00 1.12 H new ATOM 0 HG1 THR A 54 -9.196 -3.399 -10.668 1.00 62.01 H new ATOM 0 HG21 THR A 54 -8.967 -4.095 -13.420 1.00 20.44 H new ATOM 0 HG22 THR A 54 -8.437 -2.522 -14.062 1.00 20.44 H new ATOM 0 HG23 THR A 54 -7.697 -3.172 -12.580 1.00 20.44 H new ATOM 843 N ASP A 55 -7.085 -1.111 -11.037 1.00 23.25 N ATOM 844 CA ASP A 55 -6.127 -1.335 -10.013 1.00 22.23 C ATOM 845 C ASP A 55 -5.043 -0.327 -10.172 1.00 54.45 C ATOM 846 O ASP A 55 -5.004 0.354 -11.182 1.00 5.25 O ATOM 847 CB ASP A 55 -5.592 -2.772 -10.119 1.00 74.30 C ATOM 848 CG ASP A 55 -6.718 -3.804 -10.185 1.00 44.00 C ATOM 849 OD1 ASP A 55 -7.768 -3.658 -9.470 1.00 61.51 O ATOM 850 OD2 ASP A 55 -6.638 -4.723 -10.997 1.00 12.25 O ATOM 0 H ASP A 55 -6.706 -1.093 -11.984 1.00 23.25 H new ATOM 0 HA ASP A 55 -6.570 -1.225 -9.023 1.00 22.23 H new ATOM 0 HB2 ASP A 55 -4.968 -2.861 -11.008 1.00 74.30 H new ATOM 0 HB3 ASP A 55 -4.956 -2.985 -9.260 1.00 74.30 H new ATOM 855 N ALA A 56 -4.237 -0.152 -9.190 1.00 63.44 N ATOM 856 CA ALA A 56 -3.143 0.786 -9.278 1.00 24.12 C ATOM 857 C ALA A 56 -1.977 0.275 -8.471 1.00 12.12 C ATOM 858 O ALA A 56 -2.173 -0.380 -7.442 1.00 21.14 O ATOM 859 CB ALA A 56 -3.575 2.182 -8.850 1.00 1.14 C ATOM 0 H ALA A 56 -4.303 -0.645 -8.300 1.00 63.44 H new ATOM 0 HA ALA A 56 -2.826 0.871 -10.317 1.00 24.12 H new ATOM 0 HB1 ALA A 56 -2.729 2.865 -8.928 1.00 1.14 H new ATOM 0 HB2 ALA A 56 -4.381 2.528 -9.497 1.00 1.14 H new ATOM 0 HB3 ALA A 56 -3.925 2.154 -7.818 1.00 1.14 H new ATOM 865 N GLU A 57 -0.789 0.541 -8.936 1.00 22.11 N ATOM 866 CA GLU A 57 0.411 0.026 -8.318 1.00 34.45 C ATOM 867 C GLU A 57 1.359 1.179 -8.048 1.00 63.12 C ATOM 868 O GLU A 57 1.599 2.014 -8.931 1.00 65.11 O ATOM 869 CB GLU A 57 1.079 -0.961 -9.265 1.00 45.20 C ATOM 870 CG GLU A 57 2.243 -1.746 -8.670 1.00 14.40 C ATOM 871 CD GLU A 57 3.064 -2.429 -9.737 1.00 13.34 C ATOM 872 OE1 GLU A 57 2.523 -2.818 -10.779 1.00 41.11 O ATOM 873 OE2 GLU A 57 4.297 -2.485 -9.616 1.00 24.10 O ATOM 0 H GLU A 57 -0.620 1.122 -9.757 1.00 22.11 H new ATOM 0 HA GLU A 57 0.161 -0.476 -7.383 1.00 34.45 H new ATOM 0 HB2 GLU A 57 0.327 -1.668 -9.617 1.00 45.20 H new ATOM 0 HB3 GLU A 57 1.438 -0.416 -10.138 1.00 45.20 H new ATOM 0 HG2 GLU A 57 2.880 -1.072 -8.097 1.00 14.40 H new ATOM 0 HG3 GLU A 57 1.860 -2.492 -7.974 1.00 14.40 H new ATOM 880 N ILE A 58 1.881 1.234 -6.855 1.00 23.55 N ATOM 881 CA ILE A 58 2.805 2.273 -6.469 1.00 53.52 C ATOM 882 C ILE A 58 4.172 1.631 -6.242 1.00 44.35 C ATOM 883 O ILE A 58 4.277 0.678 -5.464 1.00 13.44 O ATOM 884 CB ILE A 58 2.379 2.944 -5.133 1.00 53.32 C ATOM 885 CG1 ILE A 58 0.875 3.317 -5.109 1.00 13.25 C ATOM 886 CG2 ILE A 58 3.227 4.179 -4.901 1.00 22.12 C ATOM 887 CD1 ILE A 58 0.445 4.360 -6.121 1.00 5.31 C ATOM 0 H ILE A 58 1.679 0.559 -6.117 1.00 23.55 H new ATOM 0 HA ILE A 58 2.825 3.027 -7.256 1.00 53.52 H new ATOM 0 HB ILE A 58 2.538 2.221 -4.333 1.00 53.32 H new ATOM 0 HG12 ILE A 58 0.291 2.412 -5.276 1.00 13.25 H new ATOM 0 HG13 ILE A 58 0.624 3.679 -4.112 1.00 13.25 H new ATOM 0 HG21 ILE A 58 2.931 4.653 -3.965 1.00 22.12 H new ATOM 0 HG22 ILE A 58 4.278 3.894 -4.848 1.00 22.12 H new ATOM 0 HG23 ILE A 58 3.082 4.879 -5.724 1.00 22.12 H new ATOM 0 HD11 ILE A 58 -0.624 4.547 -6.019 1.00 5.31 H new ATOM 0 HD12 ILE A 58 0.994 5.285 -5.945 1.00 5.31 H new ATOM 0 HD13 ILE A 58 0.656 3.999 -7.128 1.00 5.31 H new ATOM 899 N VAL A 59 5.201 2.120 -6.916 1.00 52.24 N ATOM 900 CA VAL A 59 6.540 1.580 -6.754 1.00 24.54 C ATOM 901 C VAL A 59 7.516 2.680 -6.340 1.00 12.34 C ATOM 902 O VAL A 59 7.757 3.626 -7.100 1.00 41.31 O ATOM 903 CB VAL A 59 7.078 0.945 -8.070 1.00 41.21 C ATOM 904 CG1 VAL A 59 8.417 0.252 -7.845 1.00 65.42 C ATOM 905 CG2 VAL A 59 6.075 -0.010 -8.685 1.00 13.33 C ATOM 0 H VAL A 59 5.134 2.891 -7.581 1.00 52.24 H new ATOM 0 HA VAL A 59 6.470 0.812 -5.984 1.00 24.54 H new ATOM 0 HB VAL A 59 7.233 1.760 -8.777 1.00 41.21 H new ATOM 0 HG11 VAL A 59 8.765 -0.181 -8.783 1.00 65.42 H new ATOM 0 HG12 VAL A 59 9.147 0.978 -7.488 1.00 65.42 H new ATOM 0 HG13 VAL A 59 8.298 -0.538 -7.103 1.00 65.42 H new ATOM 0 HG21 VAL A 59 6.488 -0.432 -9.601 1.00 13.33 H new ATOM 0 HG22 VAL A 59 5.859 -0.814 -7.981 1.00 13.33 H new ATOM 0 HG23 VAL A 59 5.155 0.527 -8.916 1.00 13.33 H new ATOM 915 N SER A 60 8.045 2.568 -5.163 1.00 31.02 N ATOM 916 CA SER A 60 9.064 3.462 -4.685 1.00 33.42 C ATOM 917 C SER A 60 10.321 2.635 -4.401 1.00 25.02 C ATOM 918 O SER A 60 10.225 1.486 -3.940 1.00 14.23 O ATOM 919 CB SER A 60 8.580 4.153 -3.411 1.00 24.45 C ATOM 920 OG SER A 60 7.339 4.801 -3.621 1.00 74.52 O ATOM 0 H SER A 60 7.781 1.845 -4.494 1.00 31.02 H new ATOM 0 HA SER A 60 9.285 4.229 -5.427 1.00 33.42 H new ATOM 0 HB2 SER A 60 8.479 3.419 -2.612 1.00 24.45 H new ATOM 0 HB3 SER A 60 9.323 4.881 -3.084 1.00 24.45 H new ATOM 0 HG SER A 60 7.272 5.580 -3.030 1.00 74.52 H new ATOM 926 N ALA A 61 11.473 3.183 -4.675 1.00 52.24 N ATOM 927 CA ALA A 61 12.718 2.484 -4.460 1.00 43.40 C ATOM 928 C ALA A 61 13.666 3.390 -3.723 1.00 13.54 C ATOM 929 O ALA A 61 13.573 4.603 -3.844 1.00 72.21 O ATOM 930 CB ALA A 61 13.316 2.045 -5.792 1.00 62.14 C ATOM 0 H ALA A 61 11.579 4.124 -5.053 1.00 52.24 H new ATOM 0 HA ALA A 61 12.539 1.590 -3.863 1.00 43.40 H new ATOM 0 HB1 ALA A 61 14.254 1.519 -5.614 1.00 62.14 H new ATOM 0 HB2 ALA A 61 12.619 1.380 -6.302 1.00 62.14 H new ATOM 0 HB3 ALA A 61 13.503 2.921 -6.413 1.00 62.14 H new ATOM 936 N SER A 62 14.551 2.824 -2.957 1.00 75.13 N ATOM 937 CA SER A 62 15.470 3.606 -2.197 1.00 44.04 C ATOM 938 C SER A 62 16.890 3.445 -2.745 1.00 71.54 C ATOM 939 O SER A 62 17.210 2.443 -3.376 1.00 4.02 O ATOM 940 CB SER A 62 15.394 3.191 -0.734 1.00 4.40 C ATOM 941 OG SER A 62 14.060 3.299 -0.247 1.00 11.24 O ATOM 0 H SER A 62 14.653 1.815 -2.844 1.00 75.13 H new ATOM 0 HA SER A 62 15.204 4.660 -2.277 1.00 44.04 H new ATOM 0 HB2 SER A 62 15.744 2.165 -0.624 1.00 4.40 H new ATOM 0 HB3 SER A 62 16.056 3.820 -0.138 1.00 4.40 H new ATOM 0 HG SER A 62 13.707 4.189 -0.455 1.00 11.24 H new ATOM 947 N ASP A 63 17.710 4.444 -2.524 1.00 13.43 N ATOM 948 CA ASP A 63 19.109 4.453 -2.965 1.00 62.41 C ATOM 949 C ASP A 63 19.969 3.742 -1.923 1.00 43.11 C ATOM 950 O ASP A 63 20.955 3.078 -2.234 1.00 32.33 O ATOM 951 CB ASP A 63 19.582 5.922 -3.077 1.00 11.31 C ATOM 952 CG ASP A 63 19.607 6.640 -1.716 1.00 73.03 C ATOM 953 OD1 ASP A 63 18.613 6.484 -0.928 1.00 43.34 O ATOM 954 OD2 ASP A 63 20.581 7.317 -1.413 1.00 73.31 O ATOM 0 H ASP A 63 17.433 5.291 -2.027 1.00 13.43 H new ATOM 0 HA ASP A 63 19.199 3.949 -3.927 1.00 62.41 H new ATOM 0 HB2 ASP A 63 20.580 5.946 -3.515 1.00 11.31 H new ATOM 0 HB3 ASP A 63 18.922 6.462 -3.756 1.00 11.31 H new ATOM 959 N SER A 64 19.529 3.857 -0.707 1.00 12.14 N ATOM 960 CA SER A 64 20.181 3.347 0.447 1.00 35.32 C ATOM 961 C SER A 64 19.836 1.882 0.672 1.00 34.25 C ATOM 962 O SER A 64 20.654 1.104 1.166 1.00 71.10 O ATOM 963 CB SER A 64 19.771 4.247 1.594 1.00 3.35 C ATOM 964 OG SER A 64 18.481 4.834 1.298 1.00 12.20 O ATOM 0 H SER A 64 18.656 4.337 -0.488 1.00 12.14 H new ATOM 0 HA SER A 64 21.266 3.358 0.342 1.00 35.32 H new ATOM 0 HB2 SER A 64 19.720 3.675 2.521 1.00 3.35 H new ATOM 0 HB3 SER A 64 20.515 5.030 1.742 1.00 3.35 H new ATOM 0 HG SER A 64 18.209 5.417 2.038 1.00 12.20 H new ATOM 970 N ASP A 65 18.653 1.493 0.241 1.00 5.30 N ATOM 971 CA ASP A 65 18.259 0.122 0.303 1.00 4.32 C ATOM 972 C ASP A 65 18.005 -0.212 -1.115 1.00 23.34 C ATOM 973 O ASP A 65 16.928 0.011 -1.639 1.00 74.43 O ATOM 974 CB ASP A 65 16.949 -0.111 1.122 1.00 62.04 C ATOM 975 CG ASP A 65 17.002 0.191 2.623 1.00 35.20 C ATOM 976 OD1 ASP A 65 18.037 0.637 3.139 1.00 42.43 O ATOM 977 OD2 ASP A 65 15.966 -0.021 3.321 1.00 74.31 O ATOM 0 H ASP A 65 17.953 2.119 -0.156 1.00 5.30 H new ATOM 0 HA ASP A 65 19.019 -0.483 0.798 1.00 4.32 H new ATOM 0 HB2 ASP A 65 16.161 0.500 0.681 1.00 62.04 H new ATOM 0 HB3 ASP A 65 16.652 -1.152 0.997 1.00 62.04 H new ATOM 982 N SER A 66 19.021 -0.677 -1.744 1.00 53.30 N ATOM 983 CA SER A 66 19.009 -0.955 -3.143 1.00 72.21 C ATOM 984 C SER A 66 18.138 -2.153 -3.524 1.00 43.30 C ATOM 985 O SER A 66 17.409 -2.129 -4.504 1.00 34.22 O ATOM 986 CB SER A 66 20.436 -1.088 -3.602 1.00 21.43 C ATOM 987 OG SER A 66 21.169 -1.939 -2.717 1.00 20.24 O ATOM 0 H SER A 66 19.912 -0.883 -1.292 1.00 53.30 H new ATOM 0 HA SER A 66 18.534 -0.125 -3.666 1.00 72.21 H new ATOM 0 HB2 SER A 66 20.463 -1.495 -4.613 1.00 21.43 H new ATOM 0 HB3 SER A 66 20.905 -0.105 -3.642 1.00 21.43 H new ATOM 0 HG SER A 66 22.094 -2.017 -3.030 1.00 20.24 H new ATOM 993 N THR A 67 18.223 -3.175 -2.726 1.00 5.15 N ATOM 994 CA THR A 67 17.539 -4.415 -2.973 1.00 42.03 C ATOM 995 C THR A 67 16.188 -4.462 -2.228 1.00 43.24 C ATOM 996 O THR A 67 15.525 -5.508 -2.154 1.00 11.11 O ATOM 997 CB THR A 67 18.468 -5.618 -2.591 1.00 42.14 C ATOM 998 OG1 THR A 67 17.811 -6.871 -2.782 1.00 4.34 O ATOM 999 CG2 THR A 67 18.974 -5.499 -1.154 1.00 35.30 C ATOM 0 H THR A 67 18.778 -3.173 -1.870 1.00 5.15 H new ATOM 0 HA THR A 67 17.310 -4.491 -4.036 1.00 42.03 H new ATOM 0 HB THR A 67 19.327 -5.580 -3.261 1.00 42.14 H new ATOM 0 HG1 THR A 67 16.852 -6.768 -2.606 1.00 4.34 H new ATOM 0 HG21 THR A 67 19.615 -6.350 -0.922 1.00 35.30 H new ATOM 0 HG22 THR A 67 19.542 -4.575 -1.044 1.00 35.30 H new ATOM 0 HG23 THR A 67 18.126 -5.487 -0.469 1.00 35.30 H new ATOM 1007 N ASP A 68 15.766 -3.333 -1.719 1.00 5.14 N ATOM 1008 CA ASP A 68 14.526 -3.265 -0.994 1.00 11.22 C ATOM 1009 C ASP A 68 13.652 -2.264 -1.721 1.00 43.41 C ATOM 1010 O ASP A 68 14.148 -1.239 -2.183 1.00 43.15 O ATOM 1011 CB ASP A 68 14.780 -2.817 0.445 1.00 64.40 C ATOM 1012 CG ASP A 68 13.718 -3.281 1.412 1.00 23.32 C ATOM 1013 OD1 ASP A 68 12.599 -2.764 1.388 1.00 43.31 O ATOM 1014 OD2 ASP A 68 14.024 -4.192 2.233 1.00 31.51 O ATOM 0 H ASP A 68 16.265 -2.447 -1.794 1.00 5.14 H new ATOM 0 HA ASP A 68 14.041 -4.240 -0.948 1.00 11.22 H new ATOM 0 HB2 ASP A 68 15.749 -3.197 0.771 1.00 64.40 H new ATOM 0 HB3 ASP A 68 14.838 -1.729 0.474 1.00 64.40 H new ATOM 1019 N SER A 69 12.394 -2.559 -1.876 1.00 55.10 N ATOM 1020 CA SER A 69 11.526 -1.698 -2.634 1.00 40.52 C ATOM 1021 C SER A 69 10.123 -1.707 -2.075 1.00 30.15 C ATOM 1022 O SER A 69 9.614 -2.761 -1.661 1.00 63.15 O ATOM 1023 CB SER A 69 11.539 -2.109 -4.122 1.00 73.45 C ATOM 1024 OG SER A 69 11.389 -3.529 -4.266 1.00 11.24 O ATOM 0 H SER A 69 11.944 -3.388 -1.489 1.00 55.10 H new ATOM 0 HA SER A 69 11.898 -0.676 -2.556 1.00 40.52 H new ATOM 0 HB2 SER A 69 10.733 -1.599 -4.650 1.00 73.45 H new ATOM 0 HB3 SER A 69 12.474 -1.790 -4.583 1.00 73.45 H new ATOM 0 HG SER A 69 11.399 -3.764 -5.217 1.00 11.24 H new ATOM 1030 N LEU A 70 9.509 -0.556 -2.054 1.00 42.04 N ATOM 1031 CA LEU A 70 8.161 -0.433 -1.605 1.00 11.54 C ATOM 1032 C LEU A 70 7.283 -0.513 -2.838 1.00 51.55 C ATOM 1033 O LEU A 70 7.319 0.362 -3.699 1.00 65.51 O ATOM 1034 CB LEU A 70 7.979 0.916 -0.837 1.00 43.11 C ATOM 1035 CG LEU A 70 6.611 1.228 -0.150 1.00 34.35 C ATOM 1036 CD1 LEU A 70 5.487 1.463 -1.147 1.00 63.03 C ATOM 1037 CD2 LEU A 70 6.226 0.136 0.830 1.00 32.23 C ATOM 0 H LEU A 70 9.936 0.322 -2.350 1.00 42.04 H new ATOM 0 HA LEU A 70 7.888 -1.225 -0.908 1.00 11.54 H new ATOM 0 HB2 LEU A 70 8.749 0.961 -0.067 1.00 43.11 H new ATOM 0 HB3 LEU A 70 8.184 1.723 -1.540 1.00 43.11 H new ATOM 0 HG LEU A 70 6.754 2.160 0.397 1.00 34.35 H new ATOM 0 HD11 LEU A 70 4.563 1.675 -0.610 1.00 63.03 H new ATOM 0 HD12 LEU A 70 5.738 2.310 -1.785 1.00 63.03 H new ATOM 0 HD13 LEU A 70 5.354 0.573 -1.762 1.00 63.03 H new ATOM 0 HD21 LEU A 70 5.270 0.382 1.292 1.00 32.23 H new ATOM 0 HD22 LEU A 70 6.140 -0.813 0.302 1.00 32.23 H new ATOM 0 HD23 LEU A 70 6.991 0.054 1.602 1.00 32.23 H new ATOM 1049 N GLN A 71 6.548 -1.565 -2.936 1.00 61.04 N ATOM 1050 CA GLN A 71 5.653 -1.776 -4.031 1.00 11.02 C ATOM 1051 C GLN A 71 4.300 -2.144 -3.453 1.00 45.33 C ATOM 1052 O GLN A 71 4.182 -3.104 -2.692 1.00 52.04 O ATOM 1053 CB GLN A 71 6.228 -2.862 -4.952 1.00 34.31 C ATOM 1054 CG GLN A 71 5.387 -3.241 -6.157 1.00 34.15 C ATOM 1055 CD GLN A 71 6.081 -4.290 -7.025 1.00 2.32 C ATOM 1056 OE1 GLN A 71 6.879 -5.128 -6.532 1.00 71.23 O ATOM 1057 NE2 GLN A 71 5.819 -4.264 -8.299 1.00 41.23 N ATOM 0 H GLN A 71 6.548 -2.319 -2.249 1.00 61.04 H new ATOM 0 HA GLN A 71 5.532 -0.881 -4.641 1.00 11.02 H new ATOM 0 HB2 GLN A 71 7.203 -2.527 -5.307 1.00 34.31 H new ATOM 0 HB3 GLN A 71 6.397 -3.760 -4.357 1.00 34.31 H new ATOM 0 HG2 GLN A 71 4.424 -3.626 -5.822 1.00 34.15 H new ATOM 0 HG3 GLN A 71 5.185 -2.351 -6.754 1.00 34.15 H new ATOM 0 HE21 GLN A 71 5.168 -3.573 -8.672 1.00 41.23 H new ATOM 0 HE22 GLN A 71 6.265 -4.934 -8.925 1.00 41.23 H new ATOM 1066 N VAL A 72 3.316 -1.354 -3.736 1.00 71.43 N ATOM 1067 CA VAL A 72 1.990 -1.577 -3.209 1.00 2.02 C ATOM 1068 C VAL A 72 0.995 -1.659 -4.340 1.00 11.53 C ATOM 1069 O VAL A 72 0.909 -0.749 -5.159 1.00 64.21 O ATOM 1070 CB VAL A 72 1.571 -0.454 -2.208 1.00 73.02 C ATOM 1071 CG1 VAL A 72 0.136 -0.634 -1.744 1.00 64.11 C ATOM 1072 CG2 VAL A 72 2.489 -0.444 -1.002 1.00 75.35 C ATOM 0 H VAL A 72 3.398 -0.534 -4.337 1.00 71.43 H new ATOM 0 HA VAL A 72 2.001 -2.521 -2.663 1.00 2.02 H new ATOM 0 HB VAL A 72 1.652 0.497 -2.735 1.00 73.02 H new ATOM 0 HG11 VAL A 72 -0.124 0.164 -1.048 1.00 64.11 H new ATOM 0 HG12 VAL A 72 -0.532 -0.597 -2.605 1.00 64.11 H new ATOM 0 HG13 VAL A 72 0.033 -1.598 -1.246 1.00 64.11 H new ATOM 0 HG21 VAL A 72 2.181 0.345 -0.317 1.00 75.35 H new ATOM 0 HG22 VAL A 72 2.434 -1.407 -0.495 1.00 75.35 H new ATOM 0 HG23 VAL A 72 3.514 -0.263 -1.326 1.00 75.35 H new ATOM 1082 N ALA A 73 0.269 -2.738 -4.388 1.00 44.23 N ATOM 1083 CA ALA A 73 -0.731 -2.932 -5.395 1.00 14.41 C ATOM 1084 C ALA A 73 -2.103 -2.849 -4.771 1.00 75.20 C ATOM 1085 O ALA A 73 -2.368 -3.456 -3.718 1.00 4.34 O ATOM 1086 CB ALA A 73 -0.532 -4.255 -6.116 1.00 31.34 C ATOM 0 H ALA A 73 0.355 -3.510 -3.727 1.00 44.23 H new ATOM 0 HA ALA A 73 -0.638 -2.142 -6.141 1.00 14.41 H new ATOM 0 HB1 ALA A 73 -1.305 -4.376 -6.875 1.00 31.34 H new ATOM 0 HB2 ALA A 73 0.448 -4.266 -6.592 1.00 31.34 H new ATOM 0 HB3 ALA A 73 -0.596 -5.073 -5.399 1.00 31.34 H new ATOM 1092 N MET A 74 -2.954 -2.097 -5.398 1.00 25.24 N ATOM 1093 CA MET A 74 -4.301 -1.873 -4.943 1.00 34.10 C ATOM 1094 C MET A 74 -5.250 -2.447 -5.967 1.00 53.32 C ATOM 1095 O MET A 74 -5.142 -2.128 -7.142 1.00 40.43 O ATOM 1096 CB MET A 74 -4.540 -0.364 -4.776 1.00 31.42 C ATOM 1097 CG MET A 74 -3.660 0.272 -3.714 1.00 75.14 C ATOM 1098 SD MET A 74 -3.862 2.055 -3.562 1.00 41.34 S ATOM 1099 CE MET A 74 -3.047 2.604 -5.048 1.00 43.00 C ATOM 0 H MET A 74 -2.730 -1.607 -6.264 1.00 25.24 H new ATOM 0 HA MET A 74 -4.466 -2.358 -3.981 1.00 34.10 H new ATOM 0 HB2 MET A 74 -4.362 0.132 -5.730 1.00 31.42 H new ATOM 0 HB3 MET A 74 -5.586 -0.195 -4.519 1.00 31.42 H new ATOM 0 HG2 MET A 74 -3.878 -0.191 -2.752 1.00 75.14 H new ATOM 0 HG3 MET A 74 -2.617 0.054 -3.943 1.00 75.14 H new ATOM 0 HE1 MET A 74 -2.944 3.689 -5.027 1.00 43.00 H new ATOM 0 HE2 MET A 74 -2.060 2.147 -5.112 1.00 43.00 H new ATOM 0 HE3 MET A 74 -3.638 2.313 -5.916 1.00 43.00 H new ATOM 1109 N LYS A 75 -6.155 -3.286 -5.521 1.00 64.12 N ATOM 1110 CA LYS A 75 -7.088 -3.981 -6.381 1.00 11.31 C ATOM 1111 C LYS A 75 -8.494 -3.543 -6.044 1.00 51.12 C ATOM 1112 O LYS A 75 -8.930 -3.652 -4.890 1.00 21.14 O ATOM 1113 CB LYS A 75 -6.979 -5.493 -6.106 1.00 70.41 C ATOM 1114 CG LYS A 75 -7.902 -6.352 -6.946 1.00 31.33 C ATOM 1115 CD LYS A 75 -7.327 -6.586 -8.317 1.00 72.34 C ATOM 1116 CE LYS A 75 -8.402 -6.956 -9.311 1.00 3.23 C ATOM 1117 NZ LYS A 75 -9.282 -5.799 -9.600 1.00 42.41 N ATOM 0 H LYS A 75 -6.267 -3.510 -4.532 1.00 64.12 H new ATOM 0 HA LYS A 75 -6.863 -3.760 -7.424 1.00 11.31 H new ATOM 0 HB2 LYS A 75 -5.950 -5.808 -6.281 1.00 70.41 H new ATOM 0 HB3 LYS A 75 -7.193 -5.674 -5.053 1.00 70.41 H new ATOM 0 HG2 LYS A 75 -8.066 -7.308 -6.449 1.00 31.33 H new ATOM 0 HG3 LYS A 75 -8.874 -5.868 -7.034 1.00 31.33 H new ATOM 0 HD2 LYS A 75 -6.811 -5.687 -8.655 1.00 72.34 H new ATOM 0 HD3 LYS A 75 -6.584 -7.382 -8.270 1.00 72.34 H new ATOM 0 HE2 LYS A 75 -7.942 -7.307 -10.235 1.00 3.23 H new ATOM 0 HE3 LYS A 75 -8.997 -7.780 -8.918 1.00 3.23 H new ATOM 0 HZ1 LYS A 75 -9.510 -5.781 -10.615 1.00 42.41 H new ATOM 0 HZ2 LYS A 75 -10.160 -5.885 -9.049 1.00 42.41 H new ATOM 0 HZ3 LYS A 75 -8.794 -4.918 -9.339 1.00 42.41 H new ATOM 1131 N LYS A 76 -9.190 -3.084 -7.040 1.00 35.14 N ATOM 1132 CA LYS A 76 -10.553 -2.651 -6.893 1.00 75.12 C ATOM 1133 C LYS A 76 -11.485 -3.828 -7.017 1.00 40.51 C ATOM 1134 O LYS A 76 -11.373 -4.640 -7.963 1.00 70.50 O ATOM 1135 CB LYS A 76 -10.902 -1.617 -7.943 1.00 50.25 C ATOM 1136 CG LYS A 76 -12.282 -0.971 -7.809 1.00 14.53 C ATOM 1137 CD LYS A 76 -12.439 0.165 -8.814 1.00 53.14 C ATOM 1138 CE LYS A 76 -12.383 -0.345 -10.241 1.00 14.24 C ATOM 1139 NZ LYS A 76 -12.248 0.766 -11.228 1.00 11.33 N ATOM 0 H LYS A 76 -8.827 -2.997 -7.989 1.00 35.14 H new ATOM 0 HA LYS A 76 -10.664 -2.202 -5.906 1.00 75.12 H new ATOM 0 HB2 LYS A 76 -10.149 -0.830 -7.915 1.00 50.25 H new ATOM 0 HB3 LYS A 76 -10.835 -2.087 -8.924 1.00 50.25 H new ATOM 0 HG2 LYS A 76 -13.058 -1.719 -7.972 1.00 14.53 H new ATOM 0 HG3 LYS A 76 -12.415 -0.590 -6.797 1.00 14.53 H new ATOM 0 HD2 LYS A 76 -13.388 0.673 -8.645 1.00 53.14 H new ATOM 0 HD3 LYS A 76 -11.651 0.902 -8.658 1.00 53.14 H new ATOM 0 HE2 LYS A 76 -11.541 -1.029 -10.348 1.00 14.24 H new ATOM 0 HE3 LYS A 76 -13.287 -0.915 -10.458 1.00 14.24 H new ATOM 0 HZ1 LYS A 76 -12.383 0.394 -12.190 1.00 11.33 H new ATOM 0 HZ2 LYS A 76 -12.966 1.492 -11.033 1.00 11.33 H new ATOM 0 HZ3 LYS A 76 -11.300 1.187 -11.150 1.00 11.33 H new ATOM 1153 N LEU A 77 -12.333 -3.958 -6.053 1.00 35.33 N ATOM 1154 CA LEU A 77 -13.369 -4.952 -6.050 1.00 71.54 C ATOM 1155 C LEU A 77 -14.670 -4.281 -6.468 1.00 1.45 C ATOM 1156 O LEU A 77 -14.894 -3.109 -6.142 1.00 65.04 O ATOM 1157 CB LEU A 77 -13.525 -5.636 -4.663 1.00 72.24 C ATOM 1158 CG LEU A 77 -12.483 -6.709 -4.269 1.00 12.24 C ATOM 1159 CD1 LEU A 77 -11.087 -6.133 -4.112 1.00 73.22 C ATOM 1160 CD2 LEU A 77 -12.910 -7.421 -2.993 1.00 62.41 C ATOM 0 H LEU A 77 -12.330 -3.365 -5.223 1.00 35.33 H new ATOM 0 HA LEU A 77 -13.103 -5.742 -6.752 1.00 71.54 H new ATOM 0 HB2 LEU A 77 -13.508 -4.857 -3.901 1.00 72.24 H new ATOM 0 HB3 LEU A 77 -14.512 -6.097 -4.626 1.00 72.24 H new ATOM 0 HG LEU A 77 -12.442 -7.429 -5.086 1.00 12.24 H new ATOM 0 HD11 LEU A 77 -10.394 -6.928 -3.835 1.00 73.22 H new ATOM 0 HD12 LEU A 77 -10.769 -5.687 -5.054 1.00 73.22 H new ATOM 0 HD13 LEU A 77 -11.094 -5.370 -3.334 1.00 73.22 H new ATOM 0 HD21 LEU A 77 -12.166 -8.173 -2.729 1.00 62.41 H new ATOM 0 HD22 LEU A 77 -12.996 -6.696 -2.183 1.00 62.41 H new ATOM 0 HD23 LEU A 77 -13.874 -7.904 -3.151 1.00 62.41 H new ATOM 1172 N PRO A 78 -15.561 -4.999 -7.173 1.00 73.43 N ATOM 1173 CA PRO A 78 -16.819 -4.421 -7.693 1.00 73.30 C ATOM 1174 C PRO A 78 -17.835 -4.163 -6.579 1.00 13.25 C ATOM 1175 O PRO A 78 -18.887 -3.578 -6.789 1.00 24.11 O ATOM 1176 CB PRO A 78 -17.328 -5.498 -8.658 1.00 41.12 C ATOM 1177 CG PRO A 78 -16.763 -6.777 -8.143 1.00 1.24 C ATOM 1178 CD PRO A 78 -15.438 -6.438 -7.506 1.00 53.32 C ATOM 0 HA PRO A 78 -16.666 -3.451 -8.166 1.00 73.30 H new ATOM 0 HB2 PRO A 78 -18.417 -5.527 -8.677 1.00 41.12 H new ATOM 0 HB3 PRO A 78 -16.996 -5.303 -9.678 1.00 41.12 H new ATOM 0 HG2 PRO A 78 -17.436 -7.233 -7.417 1.00 1.24 H new ATOM 0 HG3 PRO A 78 -16.631 -7.496 -8.952 1.00 1.24 H new ATOM 0 HD2 PRO A 78 -15.257 -7.040 -6.616 1.00 53.32 H new ATOM 0 HD3 PRO A 78 -14.608 -6.621 -8.189 1.00 53.32 H new ATOM 1186 N ASN A 79 -17.477 -4.585 -5.391 1.00 13.32 N ATOM 1187 CA ASN A 79 -18.297 -4.415 -4.205 1.00 0.42 C ATOM 1188 C ASN A 79 -17.917 -3.120 -3.508 1.00 32.14 C ATOM 1189 O ASN A 79 -18.353 -2.867 -2.396 1.00 61.33 O ATOM 1190 CB ASN A 79 -18.069 -5.587 -3.235 1.00 52.22 C ATOM 1191 CG ASN A 79 -18.371 -6.941 -3.847 1.00 73.43 C ATOM 1192 OD1 ASN A 79 -17.504 -7.560 -4.452 1.00 54.45 O ATOM 1193 ND2 ASN A 79 -19.582 -7.417 -3.684 1.00 55.14 N ATOM 0 H ASN A 79 -16.595 -5.065 -5.213 1.00 13.32 H new ATOM 0 HA ASN A 79 -19.345 -4.386 -4.502 1.00 0.42 H new ATOM 0 HB2 ASN A 79 -17.033 -5.572 -2.896 1.00 52.22 H new ATOM 0 HB3 ASN A 79 -18.695 -5.447 -2.354 1.00 52.22 H new ATOM 0 HD21 ASN A 79 -19.827 -8.330 -4.067 1.00 55.14 H new ATOM 0 HD22 ASN A 79 -20.279 -6.874 -3.174 1.00 55.14 H new ATOM 1200 N ASN A 80 -17.094 -2.304 -4.194 1.00 54.32 N ATOM 1201 CA ASN A 80 -16.561 -1.032 -3.661 1.00 25.12 C ATOM 1202 C ASN A 80 -15.613 -1.280 -2.519 1.00 42.52 C ATOM 1203 O ASN A 80 -15.435 -0.452 -1.651 1.00 5.22 O ATOM 1204 CB ASN A 80 -17.661 -0.023 -3.268 1.00 12.20 C ATOM 1205 CG ASN A 80 -18.280 0.671 -4.463 1.00 53.35 C ATOM 1206 OD1 ASN A 80 -17.798 1.716 -4.901 1.00 53.25 O ATOM 1207 ND2 ASN A 80 -19.347 0.122 -4.989 1.00 74.43 N ATOM 0 H ASN A 80 -16.777 -2.509 -5.141 1.00 54.32 H new ATOM 0 HA ASN A 80 -16.007 -0.568 -4.477 1.00 25.12 H new ATOM 0 HB2 ASN A 80 -18.441 -0.543 -2.712 1.00 12.20 H new ATOM 0 HB3 ASN A 80 -17.237 0.726 -2.599 1.00 12.20 H new ATOM 0 HD21 ASN A 80 -19.806 0.561 -5.787 1.00 74.43 H new ATOM 0 HD22 ASN A 80 -19.719 -0.744 -4.600 1.00 74.43 H new ATOM 1214 N ALA A 81 -14.964 -2.408 -2.584 1.00 55.24 N ATOM 1215 CA ALA A 81 -13.980 -2.798 -1.620 1.00 75.22 C ATOM 1216 C ALA A 81 -12.632 -2.777 -2.305 1.00 75.12 C ATOM 1217 O ALA A 81 -12.571 -2.787 -3.539 1.00 12.13 O ATOM 1218 CB ALA A 81 -14.287 -4.188 -1.089 1.00 31.13 C ATOM 0 H ALA A 81 -15.109 -3.095 -3.324 1.00 55.24 H new ATOM 0 HA ALA A 81 -13.982 -2.112 -0.773 1.00 75.22 H new ATOM 0 HB1 ALA A 81 -13.531 -4.473 -0.357 1.00 31.13 H new ATOM 0 HB2 ALA A 81 -15.269 -4.188 -0.616 1.00 31.13 H new ATOM 0 HB3 ALA A 81 -14.281 -4.902 -1.913 1.00 31.13 H new ATOM 1224 N THR A 82 -11.577 -2.741 -1.551 1.00 32.21 N ATOM 1225 CA THR A 82 -10.263 -2.695 -2.121 1.00 51.20 C ATOM 1226 C THR A 82 -9.361 -3.681 -1.393 1.00 51.33 C ATOM 1227 O THR A 82 -9.331 -3.716 -0.169 1.00 33.13 O ATOM 1228 CB THR A 82 -9.675 -1.278 -1.994 1.00 62.31 C ATOM 1229 OG1 THR A 82 -10.618 -0.327 -2.495 1.00 24.25 O ATOM 1230 CG2 THR A 82 -8.374 -1.152 -2.779 1.00 10.31 C ATOM 0 H THR A 82 -11.600 -2.743 -0.531 1.00 32.21 H new ATOM 0 HA THR A 82 -10.327 -2.960 -3.176 1.00 51.20 H new ATOM 0 HB THR A 82 -9.466 -1.086 -0.942 1.00 62.31 H new ATOM 0 HG1 THR A 82 -11.318 -0.176 -1.825 1.00 24.25 H new ATOM 0 HG21 THR A 82 -7.981 -0.141 -2.672 1.00 10.31 H new ATOM 0 HG22 THR A 82 -7.647 -1.867 -2.395 1.00 10.31 H new ATOM 0 HG23 THR A 82 -8.563 -1.358 -3.833 1.00 10.31 H new ATOM 1238 N ARG A 83 -8.651 -4.479 -2.124 1.00 31.21 N ATOM 1239 CA ARG A 83 -7.753 -5.412 -1.534 1.00 43.34 C ATOM 1240 C ARG A 83 -6.363 -4.875 -1.715 1.00 64.23 C ATOM 1241 O ARG A 83 -6.009 -4.425 -2.812 1.00 14.42 O ATOM 1242 CB ARG A 83 -7.838 -6.787 -2.156 1.00 10.12 C ATOM 1243 CG ARG A 83 -7.255 -7.845 -1.246 1.00 21.54 C ATOM 1244 CD ARG A 83 -6.945 -9.119 -1.971 1.00 33.32 C ATOM 1245 NE ARG A 83 -5.729 -8.980 -2.814 1.00 41.43 N ATOM 1246 CZ ARG A 83 -5.197 -9.941 -3.591 1.00 31.12 C ATOM 1247 NH1 ARG A 83 -5.847 -11.095 -3.781 1.00 55.30 N ATOM 1248 NH2 ARG A 83 -4.006 -9.742 -4.168 1.00 50.54 N ATOM 0 H ARG A 83 -8.679 -4.501 -3.143 1.00 31.21 H new ATOM 0 HA ARG A 83 -8.018 -5.527 -0.483 1.00 43.34 H new ATOM 0 HB2 ARG A 83 -8.879 -7.026 -2.372 1.00 10.12 H new ATOM 0 HB3 ARG A 83 -7.306 -6.791 -3.107 1.00 10.12 H new ATOM 0 HG2 ARG A 83 -6.344 -7.462 -0.786 1.00 21.54 H new ATOM 0 HG3 ARG A 83 -7.957 -8.052 -0.439 1.00 21.54 H new ATOM 0 HD2 ARG A 83 -6.800 -9.924 -1.250 1.00 33.32 H new ATOM 0 HD3 ARG A 83 -7.793 -9.400 -2.596 1.00 33.32 H new ATOM 0 HE ARG A 83 -5.256 -8.076 -2.803 1.00 41.43 H new ATOM 0 HH11 ARG A 83 -6.751 -11.250 -3.336 1.00 55.30 H new ATOM 0 HH12 ARG A 83 -5.438 -11.819 -4.371 1.00 55.30 H new ATOM 0 HH21 ARG A 83 -3.507 -8.865 -4.018 1.00 50.54 H new ATOM 0 HH22 ARG A 83 -3.598 -10.467 -4.758 1.00 50.54 H new ATOM 1262 N ILE A 84 -5.580 -4.917 -0.687 1.00 53.40 N ATOM 1263 CA ILE A 84 -4.284 -4.327 -0.739 1.00 64.22 C ATOM 1264 C ILE A 84 -3.244 -5.454 -0.698 1.00 73.35 C ATOM 1265 O ILE A 84 -3.430 -6.491 -0.033 1.00 2.24 O ATOM 1266 CB ILE A 84 -4.074 -3.350 0.476 1.00 70.10 C ATOM 1267 CG1 ILE A 84 -2.911 -2.401 0.253 1.00 63.31 C ATOM 1268 CG2 ILE A 84 -3.852 -4.104 1.754 1.00 14.22 C ATOM 1269 CD1 ILE A 84 -3.180 -1.394 -0.815 1.00 5.51 C ATOM 0 H ILE A 84 -5.817 -5.356 0.203 1.00 53.40 H new ATOM 0 HA ILE A 84 -4.176 -3.748 -1.656 1.00 64.22 H new ATOM 0 HB ILE A 84 -4.990 -2.765 0.555 1.00 70.10 H new ATOM 0 HG12 ILE A 84 -2.687 -1.883 1.186 1.00 63.31 H new ATOM 0 HG13 ILE A 84 -2.024 -2.977 -0.013 1.00 63.31 H new ATOM 0 HG21 ILE A 84 -3.710 -3.399 2.573 1.00 14.22 H new ATOM 0 HG22 ILE A 84 -4.719 -4.732 1.961 1.00 14.22 H new ATOM 0 HG23 ILE A 84 -2.965 -4.730 1.658 1.00 14.22 H new ATOM 0 HD11 ILE A 84 -2.313 -0.744 -0.929 1.00 5.51 H new ATOM 0 HD12 ILE A 84 -3.376 -1.906 -1.757 1.00 5.51 H new ATOM 0 HD13 ILE A 84 -4.049 -0.795 -0.540 1.00 5.51 H new ATOM 1281 N SER A 85 -2.266 -5.326 -1.524 1.00 22.02 N ATOM 1282 CA SER A 85 -1.182 -6.254 -1.594 1.00 10.41 C ATOM 1283 C SER A 85 0.140 -5.496 -1.497 1.00 53.32 C ATOM 1284 O SER A 85 0.445 -4.655 -2.345 1.00 63.01 O ATOM 1285 CB SER A 85 -1.307 -7.064 -2.878 1.00 21.45 C ATOM 1286 OG SER A 85 -2.587 -7.707 -2.901 1.00 53.15 O ATOM 0 H SER A 85 -2.192 -4.555 -2.188 1.00 22.02 H new ATOM 0 HA SER A 85 -1.211 -6.955 -0.760 1.00 10.41 H new ATOM 0 HB2 SER A 85 -1.197 -6.414 -3.746 1.00 21.45 H new ATOM 0 HB3 SER A 85 -0.511 -7.807 -2.933 1.00 21.45 H new ATOM 0 HG SER A 85 -2.525 -8.575 -2.451 1.00 53.15 H new ATOM 1292 N ILE A 86 0.888 -5.767 -0.466 1.00 41.21 N ATOM 1293 CA ILE A 86 2.133 -5.079 -0.220 1.00 72.45 C ATOM 1294 C ILE A 86 3.311 -6.022 -0.468 1.00 60.31 C ATOM 1295 O ILE A 86 3.235 -7.210 -0.173 1.00 52.43 O ATOM 1296 CB ILE A 86 2.165 -4.502 1.229 1.00 62.04 C ATOM 1297 CG1 ILE A 86 0.940 -3.583 1.437 1.00 42.21 C ATOM 1298 CG2 ILE A 86 3.468 -3.727 1.482 1.00 30.41 C ATOM 1299 CD1 ILE A 86 0.785 -3.036 2.838 1.00 13.14 C ATOM 0 H ILE A 86 0.655 -6.473 0.233 1.00 41.21 H new ATOM 0 HA ILE A 86 2.216 -4.240 -0.911 1.00 72.45 H new ATOM 0 HB ILE A 86 2.126 -5.326 1.941 1.00 62.04 H new ATOM 0 HG12 ILE A 86 1.009 -2.746 0.742 1.00 42.21 H new ATOM 0 HG13 ILE A 86 0.039 -4.139 1.178 1.00 42.21 H new ATOM 0 HG21 ILE A 86 3.466 -3.335 2.499 1.00 30.41 H new ATOM 0 HG22 ILE A 86 4.320 -4.395 1.352 1.00 30.41 H new ATOM 0 HG23 ILE A 86 3.543 -2.901 0.775 1.00 30.41 H new ATOM 0 HD11 ILE A 86 -0.101 -2.403 2.886 1.00 13.14 H new ATOM 0 HD12 ILE A 86 0.679 -3.862 3.541 1.00 13.14 H new ATOM 0 HD13 ILE A 86 1.665 -2.448 3.098 1.00 13.14 H new ATOM 1311 N LYS A 87 4.390 -5.462 -0.937 1.00 12.14 N ATOM 1312 CA LYS A 87 5.576 -6.159 -1.368 1.00 62.43 C ATOM 1313 C LYS A 87 6.703 -5.886 -0.403 1.00 51.41 C ATOM 1314 O LYS A 87 6.896 -4.760 0.041 1.00 52.22 O ATOM 1315 CB LYS A 87 5.956 -5.593 -2.727 1.00 71.04 C ATOM 1316 CG LYS A 87 7.357 -5.896 -3.240 1.00 41.15 C ATOM 1317 CD LYS A 87 7.510 -7.278 -3.814 1.00 13.05 C ATOM 1318 CE LYS A 87 8.878 -7.394 -4.464 1.00 65.31 C ATOM 1319 NZ LYS A 87 9.136 -6.239 -5.387 1.00 14.22 N ATOM 0 H LYS A 87 4.473 -4.450 -1.036 1.00 12.14 H new ATOM 0 HA LYS A 87 5.395 -7.233 -1.414 1.00 62.43 H new ATOM 0 HB2 LYS A 87 5.240 -5.965 -3.460 1.00 71.04 H new ATOM 0 HB3 LYS A 87 5.838 -4.510 -2.687 1.00 71.04 H new ATOM 0 HG2 LYS A 87 7.620 -5.165 -4.004 1.00 41.15 H new ATOM 0 HG3 LYS A 87 8.067 -5.772 -2.423 1.00 41.15 H new ATOM 0 HD2 LYS A 87 7.401 -8.026 -3.029 1.00 13.05 H new ATOM 0 HD3 LYS A 87 6.727 -7.470 -4.548 1.00 13.05 H new ATOM 0 HE2 LYS A 87 9.649 -7.427 -3.694 1.00 65.31 H new ATOM 0 HE3 LYS A 87 8.942 -8.329 -5.020 1.00 65.31 H new ATOM 0 HZ1 LYS A 87 9.912 -6.480 -6.037 1.00 14.22 H new ATOM 0 HZ2 LYS A 87 8.276 -6.034 -5.935 1.00 14.22 H new ATOM 0 HZ3 LYS A 87 9.399 -5.401 -4.830 1.00 14.22 H new ATOM 1333 N TYR A 88 7.401 -6.926 -0.062 1.00 12.14 N ATOM 1334 CA TYR A 88 8.503 -6.850 0.843 1.00 32.42 C ATOM 1335 C TYR A 88 9.812 -6.747 0.104 1.00 0.24 C ATOM 1336 O TYR A 88 9.932 -7.207 -1.044 1.00 62.43 O ATOM 1337 CB TYR A 88 8.527 -8.071 1.783 1.00 31.42 C ATOM 1338 CG TYR A 88 8.622 -9.435 1.092 1.00 24.34 C ATOM 1339 CD1 TYR A 88 7.532 -9.973 0.438 1.00 44.42 C ATOM 1340 CD2 TYR A 88 9.791 -10.195 1.134 1.00 1.31 C ATOM 1341 CE1 TYR A 88 7.582 -11.212 -0.152 1.00 11.44 C ATOM 1342 CE2 TYR A 88 9.849 -11.444 0.529 1.00 73.15 C ATOM 1343 CZ TYR A 88 8.725 -11.942 -0.108 1.00 62.15 C ATOM 1344 OH TYR A 88 8.731 -13.192 -0.683 1.00 21.01 O ATOM 0 H TYR A 88 7.216 -7.866 -0.412 1.00 12.14 H new ATOM 0 HA TYR A 88 8.372 -5.948 1.440 1.00 32.42 H new ATOM 0 HB2 TYR A 88 9.373 -7.968 2.462 1.00 31.42 H new ATOM 0 HB3 TYR A 88 7.624 -8.055 2.394 1.00 31.42 H new ATOM 0 HD1 TYR A 88 6.615 -9.404 0.389 1.00 44.42 H new ATOM 0 HD2 TYR A 88 10.661 -9.808 1.643 1.00 1.31 H new ATOM 0 HE1 TYR A 88 6.710 -11.606 -0.652 1.00 11.44 H new ATOM 0 HE2 TYR A 88 10.762 -12.021 0.555 1.00 73.15 H new ATOM 0 HH TYR A 88 9.061 -13.849 -0.035 1.00 21.01 H new ATOM 1354 N GLY A 89 10.756 -6.100 0.735 1.00 3.01 N ATOM 1355 CA GLY A 89 12.092 -6.081 0.256 1.00 52.24 C ATOM 1356 C GLY A 89 12.897 -7.087 1.039 1.00 21.21 C ATOM 1357 O GLY A 89 12.338 -8.056 1.546 1.00 5.13 O ATOM 0 H GLY A 89 10.609 -5.574 1.596 1.00 3.01 H new ATOM 0 HA2 GLY A 89 12.116 -6.321 -0.807 1.00 52.24 H new ATOM 0 HA3 GLY A 89 12.520 -5.085 0.367 1.00 52.24 H new ATOM 1361 N SER A 90 14.152 -6.834 1.218 1.00 23.10 N ATOM 1362 CA SER A 90 15.029 -7.761 1.902 1.00 73.31 C ATOM 1363 C SER A 90 14.832 -7.707 3.425 1.00 22.04 C ATOM 1364 O SER A 90 15.158 -8.649 4.136 1.00 44.34 O ATOM 1365 CB SER A 90 16.461 -7.419 1.545 1.00 12.04 C ATOM 1366 OG SER A 90 16.589 -7.310 0.140 1.00 12.51 O ATOM 0 H SER A 90 14.610 -5.981 0.898 1.00 23.10 H new ATOM 0 HA SER A 90 14.791 -8.776 1.583 1.00 73.31 H new ATOM 0 HB2 SER A 90 16.750 -6.482 2.020 1.00 12.04 H new ATOM 0 HB3 SER A 90 17.134 -8.189 1.923 1.00 12.04 H new ATOM 0 HG SER A 90 17.497 -7.563 -0.126 1.00 12.51 H new ATOM 1372 N GLN A 91 14.293 -6.608 3.910 1.00 1.20 N ATOM 1373 CA GLN A 91 14.119 -6.408 5.349 1.00 1.32 C ATOM 1374 C GLN A 91 12.755 -6.843 5.833 1.00 20.01 C ATOM 1375 O GLN A 91 12.504 -6.873 7.030 1.00 44.13 O ATOM 1376 CB GLN A 91 14.315 -4.947 5.663 1.00 63.33 C ATOM 1377 CG GLN A 91 15.696 -4.465 5.343 1.00 1.52 C ATOM 1378 CD GLN A 91 15.764 -2.982 5.245 1.00 74.15 C ATOM 1379 OE1 GLN A 91 16.008 -2.280 6.225 1.00 63.55 O ATOM 1380 NE2 GLN A 91 15.498 -2.491 4.076 1.00 71.13 N ATOM 0 H GLN A 91 13.964 -5.833 3.334 1.00 1.20 H new ATOM 0 HA GLN A 91 14.857 -7.024 5.863 1.00 1.32 H new ATOM 0 HB2 GLN A 91 13.590 -4.359 5.100 1.00 63.33 H new ATOM 0 HB3 GLN A 91 14.112 -4.777 6.720 1.00 63.33 H new ATOM 0 HG2 GLN A 91 16.387 -4.809 6.113 1.00 1.52 H new ATOM 0 HG3 GLN A 91 16.024 -4.905 4.401 1.00 1.52 H new ATOM 0 HE21 GLN A 91 15.302 -3.115 3.293 1.00 71.13 H new ATOM 0 HE22 GLN A 91 15.485 -1.480 3.938 1.00 71.13 H new ATOM 1389 N GLY A 92 11.886 -7.198 4.915 1.00 44.50 N ATOM 1390 CA GLY A 92 10.537 -7.510 5.304 1.00 4.31 C ATOM 1391 C GLY A 92 9.761 -6.229 5.531 1.00 23.02 C ATOM 1392 O GLY A 92 9.815 -5.626 6.601 1.00 75.22 O ATOM 0 H GLY A 92 12.085 -7.276 3.918 1.00 44.50 H new ATOM 0 HA2 GLY A 92 10.054 -8.107 4.530 1.00 4.31 H new ATOM 0 HA3 GLY A 92 10.540 -8.110 6.214 1.00 4.31 H new ATOM 1396 N ASN A 93 8.999 -5.830 4.536 1.00 44.33 N ATOM 1397 CA ASN A 93 8.308 -4.544 4.551 1.00 60.44 C ATOM 1398 C ASN A 93 7.160 -4.540 5.558 1.00 51.25 C ATOM 1399 O ASN A 93 6.598 -3.511 5.834 1.00 35.12 O ATOM 1400 CB ASN A 93 7.810 -4.192 3.141 1.00 50.15 C ATOM 1401 CG ASN A 93 7.393 -2.740 2.971 1.00 10.33 C ATOM 1402 OD1 ASN A 93 8.213 -1.901 2.623 1.00 0.00 O ATOM 1403 ND2 ASN A 93 6.142 -2.422 3.220 1.00 11.45 N ATOM 0 H ASN A 93 8.837 -6.381 3.693 1.00 44.33 H new ATOM 0 HA ASN A 93 9.018 -3.780 4.867 1.00 60.44 H new ATOM 0 HB2 ASN A 93 8.598 -4.418 2.423 1.00 50.15 H new ATOM 0 HB3 ASN A 93 6.963 -4.833 2.897 1.00 50.15 H new ATOM 0 HD21 ASN A 93 5.833 -1.455 3.125 1.00 11.45 H new ATOM 0 HD22 ASN A 93 5.480 -3.143 3.508 1.00 11.45 H new ATOM 1410 N SER A 94 6.855 -5.708 6.114 1.00 23.33 N ATOM 1411 CA SER A 94 5.739 -5.942 7.028 1.00 42.03 C ATOM 1412 C SER A 94 5.602 -4.858 8.128 1.00 33.50 C ATOM 1413 O SER A 94 4.494 -4.432 8.433 1.00 3.14 O ATOM 1414 CB SER A 94 5.941 -7.303 7.655 1.00 25.55 C ATOM 1415 OG SER A 94 6.279 -8.243 6.648 1.00 73.20 O ATOM 0 H SER A 94 7.399 -6.552 5.934 1.00 23.33 H new ATOM 0 HA SER A 94 4.812 -5.895 6.456 1.00 42.03 H new ATOM 0 HB2 SER A 94 6.732 -7.256 8.404 1.00 25.55 H new ATOM 0 HB3 SER A 94 5.033 -7.616 8.170 1.00 25.55 H new ATOM 0 HG SER A 94 5.843 -7.992 5.807 1.00 73.20 H new ATOM 1421 N ILE A 95 6.719 -4.396 8.679 1.00 1.52 N ATOM 1422 CA ILE A 95 6.692 -3.345 9.712 1.00 44.01 C ATOM 1423 C ILE A 95 6.161 -2.026 9.119 1.00 60.32 C ATOM 1424 O ILE A 95 5.294 -1.369 9.704 1.00 35.51 O ATOM 1425 CB ILE A 95 8.100 -3.144 10.409 1.00 22.10 C ATOM 1426 CG1 ILE A 95 8.413 -4.279 11.422 1.00 70.32 C ATOM 1427 CG2 ILE A 95 8.203 -1.789 11.110 1.00 3.34 C ATOM 1428 CD1 ILE A 95 8.452 -5.683 10.850 1.00 30.30 C ATOM 0 H ILE A 95 7.653 -4.725 8.435 1.00 1.52 H new ATOM 0 HA ILE A 95 6.009 -3.673 10.496 1.00 44.01 H new ATOM 0 HB ILE A 95 8.840 -3.178 9.609 1.00 22.10 H new ATOM 0 HG12 ILE A 95 9.376 -4.070 11.887 1.00 70.32 H new ATOM 0 HG13 ILE A 95 7.664 -4.250 12.214 1.00 70.32 H new ATOM 0 HG21 ILE A 95 9.184 -1.693 11.574 1.00 3.34 H new ATOM 0 HG22 ILE A 95 8.067 -0.991 10.380 1.00 3.34 H new ATOM 0 HG23 ILE A 95 7.431 -1.716 11.876 1.00 3.34 H new ATOM 0 HD11 ILE A 95 8.679 -6.394 11.645 1.00 30.30 H new ATOM 0 HD12 ILE A 95 7.483 -5.925 10.413 1.00 30.30 H new ATOM 0 HD13 ILE A 95 9.222 -5.741 10.081 1.00 30.30 H new ATOM 1440 N ARG A 96 6.622 -1.707 7.922 1.00 61.34 N ATOM 1441 CA ARG A 96 6.190 -0.509 7.215 1.00 42.22 C ATOM 1442 C ARG A 96 4.721 -0.691 6.811 1.00 65.00 C ATOM 1443 O ARG A 96 3.919 0.228 6.921 1.00 32.13 O ATOM 1444 CB ARG A 96 7.042 -0.283 5.948 1.00 74.42 C ATOM 1445 CG ARG A 96 8.555 -0.198 6.169 1.00 52.30 C ATOM 1446 CD ARG A 96 9.273 -0.050 4.830 1.00 73.13 C ATOM 1447 NE ARG A 96 10.738 -0.058 4.938 1.00 20.44 N ATOM 1448 CZ ARG A 96 11.575 -0.608 4.039 1.00 50.41 C ATOM 1449 NH1 ARG A 96 11.098 -1.297 2.992 1.00 11.32 N ATOM 1450 NH2 ARG A 96 12.878 -0.460 4.204 1.00 31.13 N ATOM 0 H ARG A 96 7.304 -2.268 7.412 1.00 61.34 H new ATOM 0 HA ARG A 96 6.308 0.356 7.867 1.00 42.22 H new ATOM 0 HB2 ARG A 96 6.841 -1.094 5.248 1.00 74.42 H new ATOM 0 HB3 ARG A 96 6.711 0.639 5.470 1.00 74.42 H new ATOM 0 HG2 ARG A 96 8.789 0.650 6.812 1.00 52.30 H new ATOM 0 HG3 ARG A 96 8.906 -1.093 6.682 1.00 52.30 H new ATOM 0 HD2 ARG A 96 8.962 -0.860 4.170 1.00 73.13 H new ATOM 0 HD3 ARG A 96 8.958 0.882 4.361 1.00 73.13 H new ATOM 0 HE ARG A 96 11.152 0.387 5.757 1.00 20.44 H new ATOM 0 HH11 ARG A 96 10.091 -1.409 2.871 1.00 11.32 H new ATOM 0 HH12 ARG A 96 11.742 -1.709 2.317 1.00 11.32 H new ATOM 0 HH21 ARG A 96 13.235 0.064 5.003 1.00 31.13 H new ATOM 0 HH22 ARG A 96 13.527 -0.870 3.532 1.00 31.13 H new ATOM 1464 N SER A 97 4.394 -1.911 6.375 1.00 30.02 N ATOM 1465 CA SER A 97 3.051 -2.298 5.966 1.00 3.55 C ATOM 1466 C SER A 97 2.044 -2.091 7.099 1.00 74.10 C ATOM 1467 O SER A 97 0.944 -1.596 6.867 1.00 4.01 O ATOM 1468 CB SER A 97 3.053 -3.771 5.557 1.00 60.25 C ATOM 1469 OG SER A 97 4.027 -4.027 4.551 1.00 13.32 O ATOM 0 H SER A 97 5.073 -2.668 6.297 1.00 30.02 H new ATOM 0 HA SER A 97 2.755 -1.671 5.125 1.00 3.55 H new ATOM 0 HB2 SER A 97 3.256 -4.393 6.429 1.00 60.25 H new ATOM 0 HB3 SER A 97 2.065 -4.050 5.190 1.00 60.25 H new ATOM 0 HG SER A 97 4.007 -4.977 4.310 1.00 13.32 H new ATOM 1475 N SER A 98 2.446 -2.456 8.310 1.00 74.44 N ATOM 1476 CA SER A 98 1.606 -2.343 9.489 1.00 34.32 C ATOM 1477 C SER A 98 1.172 -0.882 9.707 1.00 5.01 C ATOM 1478 O SER A 98 -0.011 -0.590 9.907 1.00 32.24 O ATOM 1479 CB SER A 98 2.373 -2.886 10.708 1.00 61.32 C ATOM 1480 OG SER A 98 2.777 -4.238 10.490 1.00 10.54 O ATOM 0 H SER A 98 3.371 -2.841 8.500 1.00 74.44 H new ATOM 0 HA SER A 98 0.700 -2.934 9.350 1.00 34.32 H new ATOM 0 HB2 SER A 98 3.249 -2.266 10.898 1.00 61.32 H new ATOM 0 HB3 SER A 98 1.743 -2.828 11.595 1.00 61.32 H new ATOM 0 HG SER A 98 3.611 -4.251 9.975 1.00 10.54 H new ATOM 1486 N ALA A 99 2.130 0.029 9.616 1.00 31.31 N ATOM 1487 CA ALA A 99 1.850 1.441 9.767 1.00 0.13 C ATOM 1488 C ALA A 99 1.053 1.964 8.578 1.00 63.23 C ATOM 1489 O ALA A 99 0.097 2.714 8.745 1.00 1.43 O ATOM 1490 CB ALA A 99 3.142 2.227 9.939 1.00 52.15 C ATOM 0 H ALA A 99 3.110 -0.190 9.438 1.00 31.31 H new ATOM 0 HA ALA A 99 1.246 1.576 10.664 1.00 0.13 H new ATOM 0 HB1 ALA A 99 2.911 3.286 10.051 1.00 52.15 H new ATOM 0 HB2 ALA A 99 3.667 1.874 10.827 1.00 52.15 H new ATOM 0 HB3 ALA A 99 3.774 2.084 9.063 1.00 52.15 H new ATOM 1496 N LEU A 100 1.437 1.513 7.384 1.00 31.13 N ATOM 1497 CA LEU A 100 0.831 1.933 6.133 1.00 60.13 C ATOM 1498 C LEU A 100 -0.661 1.664 6.136 1.00 44.12 C ATOM 1499 O LEU A 100 -1.445 2.544 5.808 1.00 2.11 O ATOM 1500 CB LEU A 100 1.477 1.180 4.984 1.00 1.44 C ATOM 1501 CG LEU A 100 1.164 1.683 3.577 1.00 31.41 C ATOM 1502 CD1 LEU A 100 1.645 3.115 3.398 1.00 41.11 C ATOM 1503 CD2 LEU A 100 1.800 0.776 2.546 1.00 14.30 C ATOM 0 H LEU A 100 2.190 0.835 7.263 1.00 31.13 H new ATOM 0 HA LEU A 100 0.988 3.005 6.014 1.00 60.13 H new ATOM 0 HB2 LEU A 100 2.558 1.207 5.123 1.00 1.44 H new ATOM 0 HB3 LEU A 100 1.174 0.135 5.048 1.00 1.44 H new ATOM 0 HG LEU A 100 0.083 1.669 3.436 1.00 31.41 H new ATOM 0 HD11 LEU A 100 1.412 3.454 2.388 1.00 41.11 H new ATOM 0 HD12 LEU A 100 1.146 3.760 4.121 1.00 41.11 H new ATOM 0 HD13 LEU A 100 2.723 3.159 3.556 1.00 41.11 H new ATOM 0 HD21 LEU A 100 1.570 1.144 1.546 1.00 14.30 H new ATOM 0 HD22 LEU A 100 2.881 0.764 2.689 1.00 14.30 H new ATOM 0 HD23 LEU A 100 1.408 -0.235 2.659 1.00 14.30 H new ATOM 1515 N ILE A 101 -1.037 0.466 6.566 1.00 52.32 N ATOM 1516 CA ILE A 101 -2.452 0.077 6.636 1.00 33.02 C ATOM 1517 C ILE A 101 -3.213 1.030 7.549 1.00 14.32 C ATOM 1518 O ILE A 101 -4.261 1.543 7.159 1.00 63.24 O ATOM 1519 CB ILE A 101 -2.626 -1.396 7.145 1.00 35.33 C ATOM 1520 CG1 ILE A 101 -2.085 -2.413 6.122 1.00 2.23 C ATOM 1521 CG2 ILE A 101 -4.087 -1.716 7.500 1.00 40.03 C ATOM 1522 CD1 ILE A 101 -2.872 -2.491 4.817 1.00 71.41 C ATOM 0 H ILE A 101 -0.387 -0.257 6.873 1.00 52.32 H new ATOM 0 HA ILE A 101 -2.858 0.133 5.626 1.00 33.02 H new ATOM 0 HB ILE A 101 -2.037 -1.482 8.058 1.00 35.33 H new ATOM 0 HG12 ILE A 101 -1.050 -2.159 5.891 1.00 2.23 H new ATOM 0 HG13 ILE A 101 -2.075 -3.401 6.583 1.00 2.23 H new ATOM 0 HG21 ILE A 101 -4.160 -2.747 7.848 1.00 40.03 H new ATOM 0 HG22 ILE A 101 -4.426 -1.043 8.287 1.00 40.03 H new ATOM 0 HG23 ILE A 101 -4.713 -1.586 6.617 1.00 40.03 H new ATOM 0 HD11 ILE A 101 -2.416 -3.233 4.161 1.00 71.41 H new ATOM 0 HD12 ILE A 101 -3.902 -2.778 5.030 1.00 71.41 H new ATOM 0 HD13 ILE A 101 -2.861 -1.518 4.327 1.00 71.41 H new ATOM 1534 N GLY A 102 -2.629 1.326 8.715 1.00 63.14 N ATOM 1535 CA GLY A 102 -3.257 2.221 9.678 1.00 52.15 C ATOM 1536 C GLY A 102 -3.518 3.596 9.109 1.00 55.42 C ATOM 1537 O GLY A 102 -4.571 4.195 9.336 1.00 41.44 O ATOM 0 H GLY A 102 -1.725 0.957 9.009 1.00 63.14 H new ATOM 0 HA2 GLY A 102 -4.199 1.786 10.013 1.00 52.15 H new ATOM 0 HA3 GLY A 102 -2.617 2.311 10.556 1.00 52.15 H new ATOM 1541 N ILE A 103 -2.573 4.079 8.353 1.00 64.55 N ATOM 1542 CA ILE A 103 -2.675 5.376 7.730 1.00 24.54 C ATOM 1543 C ILE A 103 -3.726 5.355 6.621 1.00 2.21 C ATOM 1544 O ILE A 103 -4.585 6.240 6.561 1.00 3.43 O ATOM 1545 CB ILE A 103 -1.310 5.807 7.164 1.00 62.15 C ATOM 1546 CG1 ILE A 103 -0.281 5.817 8.293 1.00 12.31 C ATOM 1547 CG2 ILE A 103 -1.409 7.191 6.517 1.00 11.41 C ATOM 1548 CD1 ILE A 103 1.140 5.884 7.821 1.00 64.20 C ATOM 0 H ILE A 103 -1.705 3.585 8.148 1.00 64.55 H new ATOM 0 HA ILE A 103 -2.983 6.099 8.486 1.00 24.54 H new ATOM 0 HB ILE A 103 -0.998 5.099 6.396 1.00 62.15 H new ATOM 0 HG12 ILE A 103 -0.478 6.670 8.943 1.00 12.31 H new ATOM 0 HG13 ILE A 103 -0.411 4.919 8.897 1.00 12.31 H new ATOM 0 HG21 ILE A 103 -0.434 7.479 6.123 1.00 11.41 H new ATOM 0 HG22 ILE A 103 -2.135 7.162 5.705 1.00 11.41 H new ATOM 0 HG23 ILE A 103 -1.728 7.919 7.263 1.00 11.41 H new ATOM 0 HD11 ILE A 103 1.809 5.887 8.681 1.00 64.20 H new ATOM 0 HD12 ILE A 103 1.357 5.018 7.196 1.00 64.20 H new ATOM 0 HD13 ILE A 103 1.289 6.796 7.242 1.00 64.20 H new ATOM 1560 N ILE A 104 -3.679 4.321 5.775 1.00 4.51 N ATOM 1561 CA ILE A 104 -4.606 4.208 4.655 1.00 61.21 C ATOM 1562 C ILE A 104 -6.040 4.116 5.156 1.00 62.42 C ATOM 1563 O ILE A 104 -6.895 4.894 4.727 1.00 74.03 O ATOM 1564 CB ILE A 104 -4.295 2.961 3.761 1.00 1.03 C ATOM 1565 CG1 ILE A 104 -2.891 3.064 3.153 1.00 54.42 C ATOM 1566 CG2 ILE A 104 -5.343 2.813 2.648 1.00 33.03 C ATOM 1567 CD1 ILE A 104 -2.452 1.820 2.401 1.00 53.31 C ATOM 0 H ILE A 104 -3.010 3.555 5.848 1.00 4.51 H new ATOM 0 HA ILE A 104 -4.482 5.106 4.049 1.00 61.21 H new ATOM 0 HB ILE A 104 -4.335 2.076 4.396 1.00 1.03 H new ATOM 0 HG12 ILE A 104 -2.862 3.916 2.474 1.00 54.42 H new ATOM 0 HG13 ILE A 104 -2.175 3.266 3.950 1.00 54.42 H new ATOM 0 HG21 ILE A 104 -5.107 1.940 2.039 1.00 33.03 H new ATOM 0 HG22 ILE A 104 -6.331 2.689 3.092 1.00 33.03 H new ATOM 0 HG23 ILE A 104 -5.337 3.705 2.021 1.00 33.03 H new ATOM 0 HD11 ILE A 104 -1.449 1.971 2.001 1.00 53.31 H new ATOM 0 HD12 ILE A 104 -2.447 0.967 3.080 1.00 53.31 H new ATOM 0 HD13 ILE A 104 -3.144 1.627 1.581 1.00 53.31 H new ATOM 1579 N GLU A 105 -6.294 3.216 6.101 1.00 1.32 N ATOM 1580 CA GLU A 105 -7.633 3.070 6.617 1.00 54.42 C ATOM 1581 C GLU A 105 -8.072 4.301 7.390 1.00 73.02 C ATOM 1582 O GLU A 105 -9.151 4.830 7.144 1.00 72.32 O ATOM 1583 CB GLU A 105 -7.846 1.800 7.449 1.00 34.15 C ATOM 1584 CG GLU A 105 -6.952 1.658 8.664 1.00 44.44 C ATOM 1585 CD GLU A 105 -7.637 0.907 9.752 1.00 13.43 C ATOM 1586 OE1 GLU A 105 -7.825 -0.313 9.634 1.00 4.31 O ATOM 1587 OE2 GLU A 105 -8.100 1.552 10.703 1.00 22.45 O ATOM 0 H GLU A 105 -5.600 2.592 6.513 1.00 1.32 H new ATOM 0 HA GLU A 105 -8.267 2.964 5.737 1.00 54.42 H new ATOM 0 HB2 GLU A 105 -8.885 1.773 7.779 1.00 34.15 H new ATOM 0 HB3 GLU A 105 -7.693 0.934 6.804 1.00 34.15 H new ATOM 0 HG2 GLU A 105 -6.034 1.142 8.385 1.00 44.44 H new ATOM 0 HG3 GLU A 105 -6.665 2.646 9.025 1.00 44.44 H new ATOM 1594 N GLY A 106 -7.199 4.789 8.272 1.00 15.22 N ATOM 1595 CA GLY A 106 -7.523 5.899 9.143 1.00 14.33 C ATOM 1596 C GLY A 106 -7.885 7.150 8.391 1.00 20.11 C ATOM 1597 O GLY A 106 -8.847 7.832 8.748 1.00 0.00 O ATOM 0 H GLY A 106 -6.255 4.423 8.396 1.00 15.22 H new ATOM 0 HA2 GLY A 106 -8.355 5.616 9.789 1.00 14.33 H new ATOM 0 HA3 GLY A 106 -6.672 6.105 9.792 1.00 14.33 H new ATOM 1601 N ASN A 107 -7.167 7.414 7.311 1.00 3.31 N ATOM 1602 CA ASN A 107 -7.418 8.601 6.494 1.00 14.14 C ATOM 1603 C ASN A 107 -8.804 8.509 5.879 1.00 32.21 C ATOM 1604 O ASN A 107 -9.574 9.471 5.898 1.00 42.42 O ATOM 1605 CB ASN A 107 -6.337 8.734 5.401 1.00 1.50 C ATOM 1606 CG ASN A 107 -6.506 9.958 4.499 1.00 2.11 C ATOM 1607 OD1 ASN A 107 -6.033 11.043 4.813 1.00 1.11 O ATOM 1608 ND2 ASN A 107 -7.133 9.781 3.355 1.00 20.54 N ATOM 0 H ASN A 107 -6.405 6.825 6.976 1.00 3.31 H new ATOM 0 HA ASN A 107 -7.372 9.491 7.122 1.00 14.14 H new ATOM 0 HB2 ASN A 107 -5.358 8.780 5.878 1.00 1.50 H new ATOM 0 HB3 ASN A 107 -6.349 7.836 4.783 1.00 1.50 H new ATOM 0 HD21 ASN A 107 -7.235 10.559 2.704 1.00 20.54 H new ATOM 0 HD22 ASN A 107 -7.517 8.866 3.120 1.00 20.54 H new ATOM 1615 N ILE A 108 -9.144 7.325 5.398 1.00 1.04 N ATOM 1616 CA ILE A 108 -10.447 7.089 4.813 1.00 1.21 C ATOM 1617 C ILE A 108 -11.544 7.172 5.880 1.00 74.04 C ATOM 1618 O ILE A 108 -12.573 7.798 5.660 1.00 75.53 O ATOM 1619 CB ILE A 108 -10.530 5.714 4.115 1.00 44.54 C ATOM 1620 CG1 ILE A 108 -9.450 5.586 3.044 1.00 32.20 C ATOM 1621 CG2 ILE A 108 -11.906 5.546 3.483 1.00 60.41 C ATOM 1622 CD1 ILE A 108 -9.333 4.195 2.471 1.00 62.31 C ATOM 0 H ILE A 108 -8.530 6.510 5.403 1.00 1.04 H new ATOM 0 HA ILE A 108 -10.598 7.867 4.064 1.00 1.21 H new ATOM 0 HB ILE A 108 -10.371 4.934 4.860 1.00 44.54 H new ATOM 0 HG12 ILE A 108 -9.665 6.286 2.237 1.00 32.20 H new ATOM 0 HG13 ILE A 108 -8.490 5.877 3.471 1.00 32.20 H new ATOM 0 HG21 ILE A 108 -11.964 4.575 2.990 1.00 60.41 H new ATOM 0 HG22 ILE A 108 -12.672 5.607 4.257 1.00 60.41 H new ATOM 0 HG23 ILE A 108 -12.068 6.336 2.749 1.00 60.41 H new ATOM 0 HD11 ILE A 108 -8.547 4.177 1.716 1.00 62.31 H new ATOM 0 HD12 ILE A 108 -9.087 3.493 3.268 1.00 62.31 H new ATOM 0 HD13 ILE A 108 -10.280 3.909 2.015 1.00 62.31 H new ATOM 1634 N ARG A 109 -11.304 6.553 7.047 1.00 0.21 N ATOM 1635 CA ARG A 109 -12.302 6.517 8.117 1.00 14.21 C ATOM 1636 C ARG A 109 -12.692 7.919 8.551 1.00 63.33 C ATOM 1637 O ARG A 109 -13.872 8.212 8.696 1.00 50.32 O ATOM 1638 CB ARG A 109 -11.825 5.720 9.349 1.00 3.23 C ATOM 1639 CG ARG A 109 -11.366 4.299 9.063 1.00 51.42 C ATOM 1640 CD ARG A 109 -11.216 3.495 10.350 1.00 0.13 C ATOM 1641 NE ARG A 109 -10.596 2.174 10.141 1.00 34.30 N ATOM 1642 CZ ARG A 109 -11.221 1.033 9.816 1.00 35.20 C ATOM 1643 NH1 ARG A 109 -12.494 1.044 9.411 1.00 32.11 N ATOM 1644 NH2 ARG A 109 -10.537 -0.108 9.810 1.00 63.24 N ATOM 0 H ARG A 109 -10.431 6.074 7.269 1.00 0.21 H new ATOM 0 HA ARG A 109 -13.170 6.007 7.699 1.00 14.21 H new ATOM 0 HB2 ARG A 109 -11.004 6.263 9.817 1.00 3.23 H new ATOM 0 HB3 ARG A 109 -12.637 5.683 10.075 1.00 3.23 H new ATOM 0 HG2 ARG A 109 -12.084 3.808 8.407 1.00 51.42 H new ATOM 0 HG3 ARG A 109 -10.414 4.322 8.533 1.00 51.42 H new ATOM 0 HD2 ARG A 109 -10.613 4.064 11.058 1.00 0.13 H new ATOM 0 HD3 ARG A 109 -12.198 3.361 10.803 1.00 0.13 H new ATOM 0 HE ARG A 109 -9.584 2.122 10.256 1.00 34.30 H new ATOM 0 HH11 ARG A 109 -13.001 1.927 9.346 1.00 32.11 H new ATOM 0 HH12 ARG A 109 -12.959 0.170 9.166 1.00 32.11 H new ATOM 0 HH21 ARG A 109 -9.546 -0.110 10.051 1.00 63.24 H new ATOM 0 HH22 ARG A 109 -11.004 -0.981 9.564 1.00 63.24 H new ATOM 1658 N TYR A 110 -11.704 8.782 8.725 1.00 11.34 N ATOM 1659 CA TYR A 110 -11.971 10.150 9.138 1.00 63.12 C ATOM 1660 C TYR A 110 -12.609 10.987 8.039 1.00 74.20 C ATOM 1661 O TYR A 110 -13.473 11.793 8.316 1.00 75.03 O ATOM 1662 CB TYR A 110 -10.728 10.836 9.718 1.00 12.34 C ATOM 1663 CG TYR A 110 -10.362 10.352 11.109 1.00 32.54 C ATOM 1664 CD1 TYR A 110 -10.938 10.935 12.232 1.00 21.22 C ATOM 1665 CD2 TYR A 110 -9.459 9.319 11.304 1.00 2.40 C ATOM 1666 CE1 TYR A 110 -10.619 10.502 13.504 1.00 30.02 C ATOM 1667 CE2 TYR A 110 -9.137 8.877 12.572 1.00 51.12 C ATOM 1668 CZ TYR A 110 -9.719 9.472 13.667 1.00 60.44 C ATOM 1669 OH TYR A 110 -9.401 9.035 14.930 1.00 40.12 O ATOM 0 H TYR A 110 -10.717 8.562 8.588 1.00 11.34 H new ATOM 0 HA TYR A 110 -12.705 10.078 9.940 1.00 63.12 H new ATOM 0 HB2 TYR A 110 -9.884 10.666 9.049 1.00 12.34 H new ATOM 0 HB3 TYR A 110 -10.898 11.912 9.750 1.00 12.34 H new ATOM 0 HD1 TYR A 110 -11.647 11.740 12.108 1.00 21.22 H new ATOM 0 HD2 TYR A 110 -8.998 8.850 10.447 1.00 2.40 H new ATOM 0 HE1 TYR A 110 -11.073 10.968 14.366 1.00 30.02 H new ATOM 0 HE2 TYR A 110 -8.432 8.069 12.703 1.00 51.12 H new ATOM 0 HH TYR A 110 -8.753 8.302 14.869 1.00 40.12 H new ATOM 1679 N ALA A 111 -12.175 10.795 6.802 1.00 53.32 N ATOM 1680 CA ALA A 111 -12.745 11.532 5.671 1.00 22.25 C ATOM 1681 C ALA A 111 -14.205 11.137 5.403 1.00 2.44 C ATOM 1682 O ALA A 111 -15.018 11.958 4.997 1.00 2.42 O ATOM 1683 CB ALA A 111 -11.903 11.325 4.421 1.00 4.44 C ATOM 0 H ALA A 111 -11.434 10.140 6.551 1.00 53.32 H new ATOM 0 HA ALA A 111 -12.736 12.589 5.936 1.00 22.25 H new ATOM 0 HB1 ALA A 111 -12.341 11.880 3.591 1.00 4.44 H new ATOM 0 HB2 ALA A 111 -10.889 11.683 4.602 1.00 4.44 H new ATOM 0 HB3 ALA A 111 -11.874 10.264 4.173 1.00 4.44 H new ATOM 1689 N ASN A 112 -14.500 9.869 5.615 1.00 74.34 N ATOM 1690 CA ASN A 112 -15.825 9.312 5.338 1.00 72.41 C ATOM 1691 C ASN A 112 -16.841 9.675 6.428 1.00 71.32 C ATOM 1692 O ASN A 112 -18.020 9.899 6.142 1.00 41.33 O ATOM 1693 CB ASN A 112 -15.721 7.780 5.188 1.00 75.32 C ATOM 1694 CG ASN A 112 -17.023 7.090 4.782 1.00 42.32 C ATOM 1695 OD1 ASN A 112 -17.854 7.643 4.087 1.00 54.43 O ATOM 1696 ND2 ASN A 112 -17.187 5.855 5.203 1.00 51.23 N ATOM 0 H ASN A 112 -13.834 9.190 5.984 1.00 74.34 H new ATOM 0 HA ASN A 112 -16.185 9.748 4.406 1.00 72.41 H new ATOM 0 HB2 ASN A 112 -14.957 7.552 4.444 1.00 75.32 H new ATOM 0 HB3 ASN A 112 -15.381 7.358 6.134 1.00 75.32 H new ATOM 0 HD21 ASN A 112 -18.027 5.337 4.948 1.00 51.23 H new ATOM 0 HD22 ASN A 112 -16.474 5.416 5.785 1.00 51.23 H new ATOM 1703 N THR A 113 -16.386 9.749 7.662 1.00 75.02 N ATOM 1704 CA THR A 113 -17.288 10.025 8.756 1.00 4.03 C ATOM 1705 C THR A 113 -17.622 11.519 8.804 1.00 32.33 C ATOM 1706 O THR A 113 -16.766 12.372 8.558 1.00 21.20 O ATOM 1707 CB THR A 113 -16.738 9.511 10.137 1.00 21.40 C ATOM 1708 OG1 THR A 113 -17.751 9.593 11.153 1.00 52.40 O ATOM 1709 CG2 THR A 113 -15.515 10.298 10.598 1.00 53.24 C ATOM 0 H THR A 113 -15.409 9.623 7.928 1.00 75.02 H new ATOM 0 HA THR A 113 -18.207 9.469 8.571 1.00 4.03 H new ATOM 0 HB THR A 113 -16.446 8.472 9.986 1.00 21.40 H new ATOM 0 HG1 THR A 113 -17.389 9.267 12.003 1.00 52.40 H new ATOM 0 HG21 THR A 113 -15.171 9.907 11.556 1.00 53.24 H new ATOM 0 HG22 THR A 113 -14.720 10.200 9.859 1.00 53.24 H new ATOM 0 HG23 THR A 113 -15.780 11.350 10.709 1.00 53.24 H new ATOM 1717 N HIS A 114 -18.859 11.804 9.080 1.00 4.22 N ATOM 1718 CA HIS A 114 -19.369 13.128 9.152 1.00 31.21 C ATOM 1719 C HIS A 114 -20.570 13.063 10.044 1.00 45.44 C ATOM 1720 O HIS A 114 -20.725 13.933 10.904 1.00 33.44 O ATOM 1721 CB HIS A 114 -19.706 13.687 7.735 1.00 3.22 C ATOM 1722 CG HIS A 114 -20.651 12.847 6.894 1.00 73.22 C ATOM 1723 ND1 HIS A 114 -20.258 11.736 6.168 1.00 54.25 N ATOM 1724 CD2 HIS A 114 -21.978 12.995 6.652 1.00 11.34 C ATOM 1725 CE1 HIS A 114 -21.325 11.264 5.525 1.00 51.33 C ATOM 1726 NE2 HIS A 114 -22.401 11.989 5.779 1.00 1.31 N ATOM 0 H HIS A 114 -19.562 11.089 9.267 1.00 4.22 H new ATOM 0 HA HIS A 114 -18.631 13.819 9.559 1.00 31.21 H new ATOM 0 HB2 HIS A 114 -20.141 14.680 7.852 1.00 3.22 H new ATOM 0 HB3 HIS A 114 -18.774 13.810 7.184 1.00 3.22 H new ATOM 0 HD1 HIS A 114 -19.316 11.347 6.132 1.00 54.25 H new ATOM 0 HD2 HIS A 114 -22.607 13.768 7.068 1.00 11.34 H new ATOM 0 HE1 HIS A 114 -21.313 10.399 4.878 1.00 51.33 H new TER 1734 HIS A 114