USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 748 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 52 ASN : amide:sc= 0 X(o=-0.99,f=-0.99) USER MOD Set 1.2: A 67 THR OG1 : rot -130:sc= -0.993 USER MOD Set 2.1: A 41 LYS NZ :NH3+ 171:sc= -0.0289 (180deg=-0.133) USER MOD Set 2.2: A 50 MET CE :methyl 177:sc= -0.0779 (180deg=-0.108) USER MOD Set 3.1: A 26 THR OG1 : rot 171:sc= 0.796 USER MOD Set 3.2: A 29 SER OG : rot 100:sc= 0.877 USER MOD Set 4.1: A 14 ASN : amide:sc= 0.299 K(o=1.6,f=-3.3!) USER MOD Set 4.2: A 15 THR OG1 : rot 43:sc= 0.785 USER MOD Set 4.3: A 69 SER OG : rot -62:sc= 0.536 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.054) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 11 SER OG : rot -135:sc= 1.71 USER MOD Single : A 13 ASN : amide:sc= 0.00518 K(o=0.0052,f=-2.1!) USER MOD Single : A 19 GLN : amide:sc= 0.0673 X(o=0.067,f=-0.31) USER MOD Single : A 24 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.6!) USER MOD Single : A 33 TYR OH : rot 75:sc= 0.695 USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= 0.118 (180deg=0.104) USER MOD Single : A 36 GLN : amide:sc= 0.534 K(o=0.53,f=-1) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.0394 K(o=0.039,f=-5.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 48 GLN : amide:sc=-0.00593 K(o=-0.0059,f=-2.6!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -81:sc= 0.621 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0526 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -60:sc= -0.335 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.177 30.398 -10.857 1.00 63.01 N ATOM 2 CA MET A 1 3.138 30.360 -11.995 1.00 62.12 C ATOM 3 C MET A 1 2.483 29.742 -13.254 1.00 54.14 C ATOM 4 O MET A 1 2.182 30.459 -14.209 1.00 73.54 O ATOM 5 CB MET A 1 4.424 29.584 -11.597 1.00 31.42 C ATOM 6 CG MET A 1 5.195 30.176 -10.410 1.00 50.23 C ATOM 7 SD MET A 1 6.718 29.264 -10.059 1.00 35.10 S ATOM 8 CE MET A 1 7.427 30.212 -8.710 1.00 35.53 C ATOM 0 H1 MET A 1 2.599 30.922 -10.064 1.00 63.01 H new ATOM 0 H2 MET A 1 1.301 30.871 -11.158 1.00 63.01 H new ATOM 0 H3 MET A 1 1.959 29.427 -10.554 1.00 63.01 H new ATOM 0 HA MET A 1 3.420 31.385 -12.237 1.00 62.12 H new ATOM 0 HB2 MET A 1 4.151 28.556 -11.358 1.00 31.42 H new ATOM 0 HB3 MET A 1 5.089 29.545 -12.460 1.00 31.42 H new ATOM 0 HG2 MET A 1 5.438 31.218 -10.620 1.00 50.23 H new ATOM 0 HG3 MET A 1 4.558 30.169 -9.526 1.00 50.23 H new ATOM 0 HE1 MET A 1 8.368 29.757 -8.400 1.00 35.53 H new ATOM 0 HE2 MET A 1 7.610 31.234 -9.041 1.00 35.53 H new ATOM 0 HE3 MET A 1 6.734 30.222 -7.869 1.00 35.53 H new ATOM 20 N GLY A 2 2.275 28.406 -13.243 1.00 12.14 N ATOM 21 CA GLY A 2 1.598 27.692 -14.348 1.00 3.12 C ATOM 22 C GLY A 2 2.341 27.714 -15.696 1.00 4.40 C ATOM 23 O GLY A 2 1.717 27.569 -16.750 1.00 72.44 O ATOM 0 H GLY A 2 2.568 27.799 -12.477 1.00 12.14 H new ATOM 0 HA2 GLY A 2 1.449 26.654 -14.051 1.00 3.12 H new ATOM 0 HA3 GLY A 2 0.609 28.129 -14.489 1.00 3.12 H new ATOM 27 N HIS A 3 3.672 27.908 -15.661 1.00 43.11 N ATOM 28 CA HIS A 3 4.518 27.938 -16.880 1.00 63.12 C ATOM 29 C HIS A 3 4.966 26.520 -17.281 1.00 74.04 C ATOM 30 O HIS A 3 4.855 26.128 -18.446 1.00 53.41 O ATOM 31 CB HIS A 3 5.736 28.866 -16.665 1.00 61.04 C ATOM 32 CG HIS A 3 5.368 30.331 -16.563 1.00 43.33 C ATOM 33 ND1 HIS A 3 5.774 31.151 -15.534 1.00 72.02 N ATOM 34 CD2 HIS A 3 4.649 31.125 -17.397 1.00 33.22 C ATOM 35 CE1 HIS A 3 5.323 32.372 -15.735 1.00 42.52 C ATOM 36 NE2 HIS A 3 4.642 32.382 -16.854 1.00 1.52 N ATOM 0 H HIS A 3 4.194 28.048 -14.796 1.00 43.11 H new ATOM 0 HA HIS A 3 3.922 28.337 -17.701 1.00 63.12 H new ATOM 0 HB2 HIS A 3 6.255 28.566 -15.755 1.00 61.04 H new ATOM 0 HB3 HIS A 3 6.435 28.732 -17.490 1.00 61.04 H new ATOM 0 HD2 HIS A 3 4.172 30.822 -18.317 1.00 33.22 H new ATOM 0 HE1 HIS A 3 5.487 33.221 -15.087 1.00 42.52 H new ATOM 0 HE2 HIS A 3 4.180 33.197 -17.257 1.00 1.52 H new ATOM 45 N HIS A 4 5.475 25.763 -16.308 1.00 53.32 N ATOM 46 CA HIS A 4 5.849 24.349 -16.491 1.00 12.44 C ATOM 47 C HIS A 4 4.631 23.456 -16.148 1.00 32.03 C ATOM 48 O HIS A 4 4.406 23.114 -14.983 1.00 73.10 O ATOM 49 CB HIS A 4 7.070 24.006 -15.602 1.00 3.42 C ATOM 50 CG HIS A 4 8.251 24.930 -15.799 1.00 52.34 C ATOM 51 ND1 HIS A 4 8.402 26.102 -15.097 1.00 10.50 N ATOM 52 CD2 HIS A 4 9.325 24.859 -16.623 1.00 63.51 C ATOM 53 CE1 HIS A 4 9.507 26.707 -15.476 1.00 10.01 C ATOM 54 NE2 HIS A 4 10.088 25.975 -16.399 1.00 54.40 N ATOM 0 H HIS A 4 5.643 26.110 -15.364 1.00 53.32 H new ATOM 0 HA HIS A 4 6.133 24.167 -17.528 1.00 12.44 H new ATOM 0 HB2 HIS A 4 6.766 24.039 -14.556 1.00 3.42 H new ATOM 0 HB3 HIS A 4 7.383 22.983 -15.811 1.00 3.42 H new ATOM 0 HD2 HIS A 4 9.540 24.068 -17.327 1.00 63.51 H new ATOM 0 HE1 HIS A 4 9.875 27.647 -15.093 1.00 10.01 H new ATOM 0 HE2 HIS A 4 10.963 26.200 -16.871 1.00 54.40 H new ATOM 63 N HIS A 5 3.825 23.128 -17.184 1.00 22.30 N ATOM 64 CA HIS A 5 2.524 22.419 -17.034 1.00 60.11 C ATOM 65 C HIS A 5 2.723 20.926 -16.655 1.00 53.34 C ATOM 66 O HIS A 5 2.581 20.034 -17.496 1.00 12.15 O ATOM 67 CB HIS A 5 1.695 22.544 -18.342 1.00 1.21 C ATOM 68 CG HIS A 5 1.457 23.959 -18.813 1.00 12.41 C ATOM 69 ND1 HIS A 5 0.338 24.695 -18.480 1.00 25.14 N ATOM 70 CD2 HIS A 5 2.193 24.761 -19.620 1.00 34.52 C ATOM 71 CE1 HIS A 5 0.398 25.873 -19.061 1.00 12.13 C ATOM 72 NE2 HIS A 5 1.511 25.939 -19.756 1.00 71.35 N ATOM 0 H HIS A 5 4.056 23.347 -18.153 1.00 22.30 H new ATOM 0 HA HIS A 5 1.977 22.892 -16.218 1.00 60.11 H new ATOM 0 HB2 HIS A 5 2.206 21.995 -19.133 1.00 1.21 H new ATOM 0 HB3 HIS A 5 0.730 22.060 -18.191 1.00 1.21 H new ATOM 0 HD2 HIS A 5 3.143 24.516 -20.072 1.00 34.52 H new ATOM 0 HE1 HIS A 5 -0.343 26.655 -18.980 1.00 12.13 H new ATOM 0 HE2 HIS A 5 1.817 26.740 -20.308 1.00 71.35 H new ATOM 81 N HIS A 6 3.092 20.683 -15.372 1.00 23.11 N ATOM 82 CA HIS A 6 3.474 19.343 -14.840 1.00 73.41 C ATOM 83 C HIS A 6 4.678 18.716 -15.604 1.00 72.35 C ATOM 84 O HIS A 6 4.891 17.503 -15.564 1.00 51.15 O ATOM 85 CB HIS A 6 2.255 18.382 -14.805 1.00 30.22 C ATOM 86 CG HIS A 6 1.176 18.804 -13.840 1.00 24.31 C ATOM 87 ND1 HIS A 6 1.093 18.329 -12.550 1.00 71.51 N ATOM 88 CD2 HIS A 6 0.134 19.657 -13.985 1.00 74.21 C ATOM 89 CE1 HIS A 6 0.049 18.859 -11.954 1.00 51.25 C ATOM 90 NE2 HIS A 6 -0.552 19.671 -12.800 1.00 25.12 N ATOM 0 H HIS A 6 3.134 21.419 -14.667 1.00 23.11 H new ATOM 0 HA HIS A 6 3.808 19.496 -13.814 1.00 73.41 H new ATOM 0 HB2 HIS A 6 1.828 18.314 -15.806 1.00 30.22 H new ATOM 0 HB3 HIS A 6 2.599 17.383 -14.537 1.00 30.22 H new ATOM 0 HD2 HIS A 6 -0.111 20.222 -14.872 1.00 74.21 H new ATOM 0 HE1 HIS A 6 -0.264 18.662 -10.939 1.00 51.25 H new ATOM 0 HE2 HIS A 6 -1.390 20.219 -12.605 1.00 25.12 H new ATOM 99 N HIS A 7 5.469 19.565 -16.288 1.00 5.23 N ATOM 100 CA HIS A 7 6.729 19.147 -16.941 1.00 24.13 C ATOM 101 C HIS A 7 7.890 19.220 -15.924 1.00 2.00 C ATOM 102 O HIS A 7 8.868 18.473 -16.020 1.00 44.03 O ATOM 103 CB HIS A 7 7.011 20.029 -18.181 1.00 61.10 C ATOM 104 CG HIS A 7 8.187 19.564 -19.011 1.00 14.14 C ATOM 105 ND1 HIS A 7 9.431 20.155 -18.950 1.00 4.51 N ATOM 106 CD2 HIS A 7 8.301 18.558 -19.912 1.00 15.52 C ATOM 107 CE1 HIS A 7 10.252 19.541 -19.775 1.00 63.32 C ATOM 108 NE2 HIS A 7 9.594 18.569 -20.370 1.00 0.23 N ATOM 0 H HIS A 7 5.256 20.556 -16.404 1.00 5.23 H new ATOM 0 HA HIS A 7 6.635 18.116 -17.283 1.00 24.13 H new ATOM 0 HB2 HIS A 7 6.121 20.049 -18.810 1.00 61.10 H new ATOM 0 HB3 HIS A 7 7.193 21.052 -17.853 1.00 61.10 H new ATOM 0 HD2 HIS A 7 7.520 17.875 -20.213 1.00 15.52 H new ATOM 0 HE1 HIS A 7 11.290 19.792 -19.936 1.00 63.32 H new ATOM 0 HE2 HIS A 7 9.983 17.927 -21.061 1.00 0.23 H new ATOM 117 N HIS A 8 7.770 20.153 -14.960 1.00 62.33 N ATOM 118 CA HIS A 8 8.642 20.204 -13.773 1.00 4.23 C ATOM 119 C HIS A 8 8.054 19.288 -12.679 1.00 52.13 C ATOM 120 O HIS A 8 6.972 19.569 -12.148 1.00 20.14 O ATOM 121 CB HIS A 8 8.760 21.658 -13.256 1.00 40.41 C ATOM 122 CG HIS A 8 9.688 21.831 -12.077 1.00 10.30 C ATOM 123 ND1 HIS A 8 9.274 22.309 -10.851 1.00 63.53 N ATOM 124 CD2 HIS A 8 11.019 21.610 -11.955 1.00 40.24 C ATOM 125 CE1 HIS A 8 10.308 22.380 -10.038 1.00 22.03 C ATOM 126 NE2 HIS A 8 11.378 21.964 -10.682 1.00 41.31 N ATOM 0 H HIS A 8 7.066 20.891 -14.983 1.00 62.33 H new ATOM 0 HA HIS A 8 9.641 19.857 -14.038 1.00 4.23 H new ATOM 0 HB2 HIS A 8 9.107 22.293 -14.071 1.00 40.41 H new ATOM 0 HB3 HIS A 8 7.768 22.012 -12.976 1.00 40.41 H new ATOM 0 HD2 HIS A 8 11.676 21.225 -12.721 1.00 40.24 H new ATOM 0 HE1 HIS A 8 10.282 22.722 -9.014 1.00 22.03 H new ATOM 0 HE2 HIS A 8 12.321 21.914 -10.296 1.00 41.31 H new ATOM 135 N SER A 9 8.767 18.198 -12.361 1.00 14.13 N ATOM 136 CA SER A 9 8.296 17.196 -11.384 1.00 33.11 C ATOM 137 C SER A 9 8.372 17.734 -9.939 1.00 12.44 C ATOM 138 O SER A 9 9.465 17.970 -9.415 1.00 62.44 O ATOM 139 CB SER A 9 9.108 15.887 -11.507 1.00 24.01 C ATOM 140 OG SER A 9 8.573 14.861 -10.676 1.00 15.45 O ATOM 0 H SER A 9 9.678 17.984 -12.767 1.00 14.13 H new ATOM 0 HA SER A 9 7.251 16.986 -11.612 1.00 33.11 H new ATOM 0 HB2 SER A 9 9.108 15.553 -12.545 1.00 24.01 H new ATOM 0 HB3 SER A 9 10.146 16.074 -11.233 1.00 24.01 H new ATOM 0 HG SER A 9 9.107 14.046 -10.778 1.00 15.45 H new ATOM 146 N HIS A 10 7.196 17.963 -9.328 1.00 43.41 N ATOM 147 CA HIS A 10 7.075 18.281 -7.892 1.00 54.22 C ATOM 148 C HIS A 10 7.434 17.037 -7.064 1.00 11.55 C ATOM 149 O HIS A 10 8.342 17.070 -6.232 1.00 72.05 O ATOM 150 CB HIS A 10 5.632 18.754 -7.576 1.00 31.03 C ATOM 151 CG HIS A 10 5.388 19.141 -6.138 1.00 65.04 C ATOM 152 ND1 HIS A 10 4.537 18.447 -5.310 1.00 22.41 N ATOM 153 CD2 HIS A 10 5.862 20.172 -5.396 1.00 71.23 C ATOM 154 CE1 HIS A 10 4.493 19.030 -4.132 1.00 13.22 C ATOM 155 NE2 HIS A 10 5.286 20.081 -4.156 1.00 42.23 N ATOM 0 H HIS A 10 6.301 17.933 -9.816 1.00 43.41 H new ATOM 0 HA HIS A 10 7.763 19.086 -7.634 1.00 54.22 H new ATOM 0 HB2 HIS A 10 5.399 19.609 -8.211 1.00 31.03 H new ATOM 0 HB3 HIS A 10 4.938 17.958 -7.845 1.00 31.03 H new ATOM 0 HD2 HIS A 10 6.564 20.926 -5.722 1.00 71.23 H new ATOM 0 HE1 HIS A 10 3.905 18.702 -3.287 1.00 13.22 H new ATOM 0 HE2 HIS A 10 5.445 20.722 -3.379 1.00 42.23 H new ATOM 164 N SER A 11 6.711 15.942 -7.361 1.00 52.30 N ATOM 165 CA SER A 11 6.901 14.612 -6.749 1.00 3.24 C ATOM 166 C SER A 11 5.878 13.639 -7.383 1.00 31.42 C ATOM 167 O SER A 11 5.186 12.886 -6.690 1.00 24.41 O ATOM 168 CB SER A 11 6.745 14.660 -5.204 1.00 23.10 C ATOM 169 OG SER A 11 7.124 13.424 -4.629 1.00 35.20 O ATOM 0 H SER A 11 5.959 15.957 -8.050 1.00 52.30 H new ATOM 0 HA SER A 11 7.916 14.266 -6.943 1.00 3.24 H new ATOM 0 HB2 SER A 11 7.360 15.462 -4.795 1.00 23.10 H new ATOM 0 HB3 SER A 11 5.711 14.887 -4.944 1.00 23.10 H new ATOM 0 HG SER A 11 6.465 13.162 -3.953 1.00 35.20 H new ATOM 175 N ASP A 12 5.861 13.632 -8.731 1.00 74.31 N ATOM 176 CA ASP A 12 4.757 13.066 -9.560 1.00 2.32 C ATOM 177 C ASP A 12 4.726 11.507 -9.643 1.00 33.13 C ATOM 178 O ASP A 12 4.182 10.948 -10.607 1.00 0.44 O ATOM 179 CB ASP A 12 4.837 13.700 -10.976 1.00 11.41 C ATOM 180 CG ASP A 12 4.552 15.216 -10.971 1.00 31.04 C ATOM 181 OD1 ASP A 12 5.287 15.972 -10.301 1.00 44.02 O ATOM 182 OD2 ASP A 12 3.569 15.663 -11.609 1.00 61.33 O ATOM 0 H ASP A 12 6.620 14.022 -9.290 1.00 74.31 H new ATOM 0 HA ASP A 12 3.821 13.322 -9.064 1.00 2.32 H new ATOM 0 HB2 ASP A 12 5.829 13.523 -11.392 1.00 11.41 H new ATOM 0 HB3 ASP A 12 4.122 13.203 -11.632 1.00 11.41 H new ATOM 187 N ASN A 13 5.275 10.821 -8.624 1.00 14.15 N ATOM 188 CA ASN A 13 5.089 9.364 -8.447 1.00 2.15 C ATOM 189 C ASN A 13 3.606 9.033 -8.146 1.00 1.53 C ATOM 190 O ASN A 13 2.988 9.638 -7.257 1.00 51.32 O ATOM 191 CB ASN A 13 5.982 8.815 -7.295 1.00 25.33 C ATOM 192 CG ASN A 13 7.485 8.942 -7.554 1.00 50.11 C ATOM 193 OD1 ASN A 13 7.941 9.856 -8.225 1.00 62.22 O ATOM 194 ND2 ASN A 13 8.270 8.036 -7.005 1.00 74.01 N ATOM 0 H ASN A 13 5.855 11.253 -7.905 1.00 14.15 H new ATOM 0 HA ASN A 13 5.385 8.884 -9.380 1.00 2.15 H new ATOM 0 HB2 ASN A 13 5.737 9.346 -6.375 1.00 25.33 H new ATOM 0 HB3 ASN A 13 5.740 7.765 -7.131 1.00 25.33 H new ATOM 0 HD21 ASN A 13 9.280 8.089 -7.136 1.00 74.01 H new ATOM 0 HD22 ASN A 13 7.867 7.282 -6.449 1.00 74.01 H new ATOM 201 N ASN A 14 3.050 8.066 -8.898 1.00 44.43 N ATOM 202 CA ASN A 14 1.688 7.544 -8.656 1.00 51.14 C ATOM 203 C ASN A 14 1.730 6.386 -7.624 1.00 12.22 C ATOM 204 O ASN A 14 0.731 6.072 -6.985 1.00 22.21 O ATOM 205 CB ASN A 14 1.020 7.115 -9.997 1.00 22.23 C ATOM 206 CG ASN A 14 1.748 6.004 -10.778 1.00 54.51 C ATOM 207 OD1 ASN A 14 2.317 5.077 -10.223 1.00 62.05 O ATOM 208 ND2 ASN A 14 1.741 6.095 -12.088 1.00 14.31 N ATOM 0 H ASN A 14 3.526 7.626 -9.685 1.00 44.43 H new ATOM 0 HA ASN A 14 1.072 8.336 -8.230 1.00 51.14 H new ATOM 0 HB2 ASN A 14 0.005 6.780 -9.785 1.00 22.23 H new ATOM 0 HB3 ASN A 14 0.939 7.992 -10.639 1.00 22.23 H new ATOM 0 HD21 ASN A 14 2.214 5.388 -12.651 1.00 14.31 H new ATOM 0 HD22 ASN A 14 1.263 6.873 -12.543 1.00 14.31 H new ATOM 215 N THR A 15 2.916 5.758 -7.488 1.00 71.42 N ATOM 216 CA THR A 15 3.159 4.677 -6.517 1.00 75.11 C ATOM 217 C THR A 15 3.804 5.237 -5.229 1.00 55.53 C ATOM 218 O THR A 15 4.768 6.011 -5.290 1.00 35.15 O ATOM 219 CB THR A 15 4.086 3.569 -7.124 1.00 25.25 C ATOM 220 OG1 THR A 15 3.574 3.160 -8.401 1.00 61.34 O ATOM 221 CG2 THR A 15 4.201 2.329 -6.208 1.00 65.35 C ATOM 0 H THR A 15 3.734 5.989 -8.052 1.00 71.42 H new ATOM 0 HA THR A 15 2.194 4.232 -6.273 1.00 75.11 H new ATOM 0 HB THR A 15 5.081 4.002 -7.227 1.00 25.25 H new ATOM 0 HG1 THR A 15 3.294 3.950 -8.910 1.00 61.34 H new ATOM 0 HG21 THR A 15 4.854 1.591 -6.674 1.00 65.35 H new ATOM 0 HG22 THR A 15 4.617 2.625 -5.245 1.00 65.35 H new ATOM 0 HG23 THR A 15 3.213 1.895 -6.058 1.00 65.35 H new ATOM 229 N ILE A 16 3.264 4.837 -4.069 1.00 35.43 N ATOM 230 CA ILE A 16 3.773 5.242 -2.738 1.00 3.44 C ATOM 231 C ILE A 16 4.322 4.027 -1.961 1.00 14.12 C ATOM 232 O ILE A 16 3.898 2.904 -2.193 1.00 40.03 O ATOM 233 CB ILE A 16 2.645 5.958 -1.905 1.00 31.52 C ATOM 234 CG1 ILE A 16 1.422 5.018 -1.650 1.00 3.03 C ATOM 235 CG2 ILE A 16 2.211 7.256 -2.612 1.00 4.20 C ATOM 236 CD1 ILE A 16 0.314 5.625 -0.804 1.00 1.51 C ATOM 0 H ILE A 16 2.455 4.218 -4.021 1.00 35.43 H new ATOM 0 HA ILE A 16 4.591 5.946 -2.894 1.00 3.44 H new ATOM 0 HB ILE A 16 3.057 6.211 -0.928 1.00 31.52 H new ATOM 0 HG12 ILE A 16 1.004 4.721 -2.612 1.00 3.03 H new ATOM 0 HG13 ILE A 16 1.776 4.110 -1.162 1.00 3.03 H new ATOM 0 HG21 ILE A 16 1.430 7.745 -2.029 1.00 4.20 H new ATOM 0 HG22 ILE A 16 3.067 7.924 -2.704 1.00 4.20 H new ATOM 0 HG23 ILE A 16 1.828 7.019 -3.604 1.00 4.20 H new ATOM 0 HD11 ILE A 16 -0.490 4.899 -0.682 1.00 1.51 H new ATOM 0 HD12 ILE A 16 0.710 5.896 0.175 1.00 1.51 H new ATOM 0 HD13 ILE A 16 -0.074 6.516 -1.297 1.00 1.51 H new ATOM 248 N PHE A 17 5.277 4.254 -1.050 1.00 64.34 N ATOM 249 CA PHE A 17 5.851 3.192 -0.200 1.00 23.23 C ATOM 250 C PHE A 17 5.351 3.347 1.261 1.00 65.40 C ATOM 251 O PHE A 17 5.632 4.352 1.921 1.00 51.21 O ATOM 252 CB PHE A 17 7.397 3.243 -0.273 1.00 3.40 C ATOM 253 CG PHE A 17 8.105 2.167 0.553 1.00 72.15 C ATOM 254 CD1 PHE A 17 7.802 0.814 0.366 1.00 24.50 C ATOM 255 CD2 PHE A 17 9.064 2.497 1.510 1.00 72.41 C ATOM 256 CE1 PHE A 17 8.432 -0.160 1.105 1.00 2.11 C ATOM 257 CE2 PHE A 17 9.692 1.520 2.245 1.00 54.40 C ATOM 258 CZ PHE A 17 9.374 0.190 2.045 1.00 51.41 C ATOM 0 H PHE A 17 5.676 5.177 -0.878 1.00 64.34 H new ATOM 0 HA PHE A 17 5.523 2.218 -0.564 1.00 23.23 H new ATOM 0 HB2 PHE A 17 7.703 3.144 -1.315 1.00 3.40 H new ATOM 0 HB3 PHE A 17 7.732 4.223 0.066 1.00 3.40 H new ATOM 0 HD1 PHE A 17 7.063 0.530 -0.369 1.00 24.50 H new ATOM 0 HD2 PHE A 17 9.317 3.534 1.676 1.00 72.41 H new ATOM 0 HE1 PHE A 17 8.187 -1.200 0.947 1.00 2.11 H new ATOM 0 HE2 PHE A 17 10.435 1.792 2.980 1.00 54.40 H new ATOM 0 HZ PHE A 17 9.865 -0.576 2.627 1.00 51.41 H new ATOM 268 N VAL A 18 4.601 2.340 1.740 1.00 52.03 N ATOM 269 CA VAL A 18 3.982 2.330 3.084 1.00 45.10 C ATOM 270 C VAL A 18 4.689 1.293 3.999 1.00 40.31 C ATOM 271 O VAL A 18 4.929 0.159 3.583 1.00 75.33 O ATOM 272 CB VAL A 18 2.448 1.974 2.990 1.00 41.24 C ATOM 273 CG1 VAL A 18 1.737 2.180 4.353 1.00 54.00 C ATOM 274 CG2 VAL A 18 1.749 2.779 1.862 1.00 42.02 C ATOM 0 H VAL A 18 4.403 1.497 1.200 1.00 52.03 H new ATOM 0 HA VAL A 18 4.093 3.327 3.510 1.00 45.10 H new ATOM 0 HB VAL A 18 2.371 0.917 2.735 1.00 41.24 H new ATOM 0 HG11 VAL A 18 0.682 1.926 4.255 1.00 54.00 H new ATOM 0 HG12 VAL A 18 2.196 1.537 5.104 1.00 54.00 H new ATOM 0 HG13 VAL A 18 1.833 3.222 4.660 1.00 54.00 H new ATOM 0 HG21 VAL A 18 0.693 2.510 1.824 1.00 42.02 H new ATOM 0 HG22 VAL A 18 1.845 3.846 2.063 1.00 42.02 H new ATOM 0 HG23 VAL A 18 2.217 2.547 0.905 1.00 42.02 H new ATOM 284 N GLN A 19 5.004 1.696 5.243 1.00 41.31 N ATOM 285 CA GLN A 19 5.642 0.820 6.269 1.00 10.33 C ATOM 286 C GLN A 19 4.737 0.698 7.518 1.00 3.34 C ATOM 287 O GLN A 19 3.919 1.567 7.758 1.00 3.25 O ATOM 288 CB GLN A 19 7.019 1.416 6.664 1.00 43.22 C ATOM 289 CG GLN A 19 8.027 1.502 5.503 1.00 24.31 C ATOM 290 CD GLN A 19 9.326 2.211 5.882 1.00 12.51 C ATOM 291 OE1 GLN A 19 9.451 3.419 5.725 1.00 31.21 O ATOM 292 NE2 GLN A 19 10.295 1.476 6.384 1.00 3.42 N ATOM 0 H GLN A 19 4.826 2.643 5.577 1.00 41.31 H new ATOM 0 HA GLN A 19 5.782 -0.177 5.851 1.00 10.33 H new ATOM 0 HB2 GLN A 19 6.866 2.415 7.072 1.00 43.22 H new ATOM 0 HB3 GLN A 19 7.450 0.809 7.460 1.00 43.22 H new ATOM 0 HG2 GLN A 19 8.259 0.495 5.157 1.00 24.31 H new ATOM 0 HG3 GLN A 19 7.565 2.028 4.668 1.00 24.31 H new ATOM 0 HE21 GLN A 19 10.164 0.472 6.504 1.00 3.42 H new ATOM 0 HE22 GLN A 19 11.178 1.911 6.653 1.00 3.42 H new ATOM 301 N GLY A 20 4.907 -0.377 8.311 1.00 0.30 N ATOM 302 CA GLY A 20 4.113 -0.593 9.548 1.00 53.21 C ATOM 303 C GLY A 20 2.760 -1.272 9.308 1.00 70.54 C ATOM 304 O GLY A 20 1.799 -1.069 10.058 1.00 15.11 O ATOM 0 H GLY A 20 5.587 -1.114 8.121 1.00 0.30 H new ATOM 0 HA2 GLY A 20 4.696 -1.201 10.240 1.00 53.21 H new ATOM 0 HA3 GLY A 20 3.945 0.369 10.032 1.00 53.21 H new ATOM 308 N LEU A 21 2.706 -2.097 8.264 1.00 35.13 N ATOM 309 CA LEU A 21 1.475 -2.779 7.807 1.00 53.34 C ATOM 310 C LEU A 21 1.216 -4.123 8.546 1.00 15.44 C ATOM 311 O LEU A 21 0.119 -4.681 8.442 1.00 35.30 O ATOM 312 CB LEU A 21 1.584 -2.992 6.280 1.00 24.45 C ATOM 313 CG LEU A 21 1.604 -1.695 5.406 1.00 72.20 C ATOM 314 CD1 LEU A 21 2.043 -1.997 3.961 1.00 22.23 C ATOM 315 CD2 LEU A 21 0.226 -0.989 5.426 1.00 24.03 C ATOM 0 H LEU A 21 3.524 -2.320 7.696 1.00 35.13 H new ATOM 0 HA LEU A 21 0.618 -2.149 8.045 1.00 53.34 H new ATOM 0 HB2 LEU A 21 2.493 -3.558 6.076 1.00 24.45 H new ATOM 0 HB3 LEU A 21 0.745 -3.610 5.959 1.00 24.45 H new ATOM 0 HG LEU A 21 2.339 -1.018 5.842 1.00 72.20 H new ATOM 0 HD11 LEU A 21 2.046 -1.074 3.381 1.00 22.23 H new ATOM 0 HD12 LEU A 21 3.046 -2.425 3.967 1.00 22.23 H new ATOM 0 HD13 LEU A 21 1.349 -2.706 3.511 1.00 22.23 H new ATOM 0 HD21 LEU A 21 0.269 -0.091 4.810 1.00 24.03 H new ATOM 0 HD22 LEU A 21 -0.534 -1.663 5.032 1.00 24.03 H new ATOM 0 HD23 LEU A 21 -0.028 -0.715 6.450 1.00 24.03 H new ATOM 327 N GLY A 22 2.229 -4.639 9.272 1.00 60.03 N ATOM 328 CA GLY A 22 2.079 -5.866 10.087 1.00 12.15 C ATOM 329 C GLY A 22 2.206 -7.183 9.303 1.00 12.24 C ATOM 330 O GLY A 22 2.540 -7.184 8.115 1.00 71.21 O ATOM 0 H GLY A 22 3.161 -4.226 9.312 1.00 60.03 H new ATOM 0 HA2 GLY A 22 2.832 -5.855 10.875 1.00 12.15 H new ATOM 0 HA3 GLY A 22 1.105 -5.843 10.576 1.00 12.15 H new ATOM 334 N GLU A 23 1.971 -8.315 9.996 1.00 62.43 N ATOM 335 CA GLU A 23 1.944 -9.673 9.382 1.00 21.04 C ATOM 336 C GLU A 23 0.625 -9.951 8.631 1.00 61.20 C ATOM 337 O GLU A 23 0.583 -10.790 7.729 1.00 4.43 O ATOM 338 CB GLU A 23 2.126 -10.764 10.484 1.00 64.11 C ATOM 339 CG GLU A 23 3.324 -10.554 11.433 1.00 41.24 C ATOM 340 CD GLU A 23 4.688 -10.516 10.717 1.00 51.10 C ATOM 341 OE1 GLU A 23 5.233 -11.592 10.383 1.00 65.12 O ATOM 342 OE2 GLU A 23 5.231 -9.409 10.501 1.00 15.04 O ATOM 0 H GLU A 23 1.793 -8.322 11.000 1.00 62.43 H new ATOM 0 HA GLU A 23 2.763 -9.710 8.664 1.00 21.04 H new ATOM 0 HB2 GLU A 23 1.215 -10.808 11.081 1.00 64.11 H new ATOM 0 HB3 GLU A 23 2.236 -11.733 9.997 1.00 64.11 H new ATOM 0 HG2 GLU A 23 3.184 -9.620 11.978 1.00 41.24 H new ATOM 0 HG3 GLU A 23 3.335 -11.355 12.172 1.00 41.24 H new ATOM 349 N ASN A 24 -0.453 -9.251 9.024 1.00 62.11 N ATOM 350 CA ASN A 24 -1.821 -9.495 8.502 1.00 34.01 C ATOM 351 C ASN A 24 -2.160 -8.557 7.318 1.00 42.04 C ATOM 352 O ASN A 24 -3.331 -8.368 6.995 1.00 41.03 O ATOM 353 CB ASN A 24 -2.863 -9.326 9.646 1.00 50.12 C ATOM 354 CG ASN A 24 -2.696 -10.323 10.800 1.00 54.50 C ATOM 355 OD1 ASN A 24 -1.602 -10.785 11.093 1.00 44.10 O ATOM 356 ND2 ASN A 24 -3.780 -10.650 11.483 1.00 62.01 N ATOM 0 H ASN A 24 -0.407 -8.499 9.712 1.00 62.11 H new ATOM 0 HA ASN A 24 -1.860 -10.518 8.127 1.00 34.01 H new ATOM 0 HB2 ASN A 24 -2.790 -8.313 10.042 1.00 50.12 H new ATOM 0 HB3 ASN A 24 -3.864 -9.434 9.229 1.00 50.12 H new ATOM 0 HD21 ASN A 24 -3.712 -11.297 12.268 1.00 62.01 H new ATOM 0 HD22 ASN A 24 -4.684 -10.255 11.224 1.00 62.01 H new ATOM 363 N VAL A 25 -1.134 -7.986 6.662 1.00 52.24 N ATOM 364 CA VAL A 25 -1.317 -7.110 5.482 1.00 10.31 C ATOM 365 C VAL A 25 -1.549 -7.927 4.181 1.00 23.31 C ATOM 366 O VAL A 25 -0.829 -8.890 3.909 1.00 52.31 O ATOM 367 CB VAL A 25 -0.083 -6.143 5.300 1.00 41.53 C ATOM 368 CG1 VAL A 25 1.265 -6.904 5.243 1.00 21.52 C ATOM 369 CG2 VAL A 25 -0.246 -5.247 4.052 1.00 13.10 C ATOM 0 H VAL A 25 -0.158 -8.115 6.930 1.00 52.24 H new ATOM 0 HA VAL A 25 -2.211 -6.514 5.666 1.00 10.31 H new ATOM 0 HB VAL A 25 -0.062 -5.507 6.185 1.00 41.53 H new ATOM 0 HG11 VAL A 25 2.080 -6.191 5.117 1.00 21.52 H new ATOM 0 HG12 VAL A 25 1.409 -7.460 6.170 1.00 21.52 H new ATOM 0 HG13 VAL A 25 1.256 -7.597 4.402 1.00 21.52 H new ATOM 0 HG21 VAL A 25 0.621 -4.594 3.957 1.00 13.10 H new ATOM 0 HG22 VAL A 25 -0.328 -5.873 3.163 1.00 13.10 H new ATOM 0 HG23 VAL A 25 -1.147 -4.642 4.154 1.00 13.10 H new ATOM 379 N THR A 26 -2.582 -7.553 3.402 1.00 75.14 N ATOM 380 CA THR A 26 -2.832 -8.115 2.049 1.00 34.14 C ATOM 381 C THR A 26 -3.032 -6.979 1.027 1.00 33.00 C ATOM 382 O THR A 26 -3.461 -5.877 1.403 1.00 30.21 O ATOM 383 CB THR A 26 -4.094 -9.050 2.007 1.00 64.35 C ATOM 384 OG1 THR A 26 -5.274 -8.284 2.257 1.00 12.24 O ATOM 385 CG2 THR A 26 -4.020 -10.208 3.020 1.00 63.31 C ATOM 0 H THR A 26 -3.269 -6.855 3.687 1.00 75.14 H new ATOM 0 HA THR A 26 -1.955 -8.711 1.796 1.00 34.14 H new ATOM 0 HB THR A 26 -4.123 -9.490 1.010 1.00 64.35 H new ATOM 0 HG1 THR A 26 -6.065 -8.837 2.088 1.00 12.24 H new ATOM 0 HG21 THR A 26 -4.920 -10.818 2.942 1.00 63.31 H new ATOM 0 HG22 THR A 26 -3.146 -10.823 2.806 1.00 63.31 H new ATOM 0 HG23 THR A 26 -3.941 -9.804 4.029 1.00 63.31 H new ATOM 393 N ILE A 27 -2.745 -7.270 -0.262 1.00 32.21 N ATOM 394 CA ILE A 27 -2.896 -6.309 -1.395 1.00 14.24 C ATOM 395 C ILE A 27 -4.295 -5.639 -1.400 1.00 12.34 C ATOM 396 O ILE A 27 -4.411 -4.412 -1.389 1.00 65.12 O ATOM 397 CB ILE A 27 -2.660 -7.042 -2.774 1.00 23.04 C ATOM 398 CG1 ILE A 27 -1.208 -7.600 -2.866 1.00 32.23 C ATOM 399 CG2 ILE A 27 -2.979 -6.132 -3.990 1.00 5.41 C ATOM 400 CD1 ILE A 27 -0.930 -8.432 -4.107 1.00 30.55 C ATOM 0 H ILE A 27 -2.399 -8.184 -0.555 1.00 32.21 H new ATOM 0 HA ILE A 27 -2.145 -5.530 -1.259 1.00 14.24 H new ATOM 0 HB ILE A 27 -3.357 -7.879 -2.811 1.00 23.04 H new ATOM 0 HG12 ILE A 27 -0.509 -6.764 -2.840 1.00 32.23 H new ATOM 0 HG13 ILE A 27 -1.010 -8.209 -1.984 1.00 32.23 H new ATOM 0 HG21 ILE A 27 -2.801 -6.683 -4.913 1.00 5.41 H new ATOM 0 HG22 ILE A 27 -4.023 -5.822 -3.948 1.00 5.41 H new ATOM 0 HG23 ILE A 27 -2.338 -5.251 -3.963 1.00 5.41 H new ATOM 0 HD11 ILE A 27 0.103 -8.779 -4.088 1.00 30.55 H new ATOM 0 HD12 ILE A 27 -1.601 -9.291 -4.127 1.00 30.55 H new ATOM 0 HD13 ILE A 27 -1.092 -7.824 -4.997 1.00 30.55 H new ATOM 412 N GLU A 28 -5.339 -6.479 -1.356 1.00 62.24 N ATOM 413 CA GLU A 28 -6.743 -6.035 -1.443 1.00 44.05 C ATOM 414 C GLU A 28 -7.148 -5.198 -0.211 1.00 51.14 C ATOM 415 O GLU A 28 -7.886 -4.242 -0.354 1.00 43.13 O ATOM 416 CB GLU A 28 -7.667 -7.267 -1.597 1.00 2.10 C ATOM 417 CG GLU A 28 -7.390 -8.099 -2.866 1.00 62.44 C ATOM 418 CD GLU A 28 -8.136 -9.440 -2.876 1.00 43.21 C ATOM 419 OE1 GLU A 28 -7.779 -10.325 -2.070 1.00 73.31 O ATOM 420 OE2 GLU A 28 -9.082 -9.619 -3.673 1.00 13.45 O ATOM 0 H GLU A 28 -5.236 -7.489 -1.259 1.00 62.24 H new ATOM 0 HA GLU A 28 -6.850 -5.394 -2.318 1.00 44.05 H new ATOM 0 HB2 GLU A 28 -7.552 -7.907 -0.722 1.00 2.10 H new ATOM 0 HB3 GLU A 28 -8.704 -6.932 -1.613 1.00 2.10 H new ATOM 0 HG2 GLU A 28 -7.680 -7.521 -3.744 1.00 62.44 H new ATOM 0 HG3 GLU A 28 -6.319 -8.284 -2.946 1.00 62.44 H new ATOM 427 N SER A 29 -6.648 -5.559 0.990 1.00 62.33 N ATOM 428 CA SER A 29 -6.950 -4.812 2.245 1.00 52.42 C ATOM 429 C SER A 29 -6.280 -3.427 2.270 1.00 13.21 C ATOM 430 O SER A 29 -6.868 -2.467 2.773 1.00 13.41 O ATOM 431 CB SER A 29 -6.532 -5.624 3.482 1.00 11.52 C ATOM 432 OG SER A 29 -7.264 -6.837 3.548 1.00 53.21 O ATOM 0 H SER A 29 -6.033 -6.362 1.124 1.00 62.33 H new ATOM 0 HA SER A 29 -8.029 -4.659 2.270 1.00 52.42 H new ATOM 0 HB2 SER A 29 -5.464 -5.838 3.440 1.00 11.52 H new ATOM 0 HB3 SER A 29 -6.705 -5.038 4.385 1.00 11.52 H new ATOM 0 HG SER A 29 -6.714 -7.570 3.202 1.00 53.21 H new ATOM 438 N VAL A 30 -5.046 -3.329 1.724 1.00 32.44 N ATOM 439 CA VAL A 30 -4.366 -2.022 1.535 1.00 55.23 C ATOM 440 C VAL A 30 -5.110 -1.187 0.469 1.00 43.13 C ATOM 441 O VAL A 30 -5.265 0.023 0.609 1.00 31.33 O ATOM 442 CB VAL A 30 -2.854 -2.186 1.113 1.00 32.14 C ATOM 443 CG1 VAL A 30 -2.154 -0.812 0.968 1.00 24.15 C ATOM 444 CG2 VAL A 30 -2.086 -3.069 2.110 1.00 43.13 C ATOM 0 H VAL A 30 -4.502 -4.132 1.408 1.00 32.44 H new ATOM 0 HA VAL A 30 -4.388 -1.509 2.496 1.00 55.23 H new ATOM 0 HB VAL A 30 -2.846 -2.679 0.141 1.00 32.14 H new ATOM 0 HG11 VAL A 30 -1.114 -0.962 0.677 1.00 24.15 H new ATOM 0 HG12 VAL A 30 -2.663 -0.223 0.205 1.00 24.15 H new ATOM 0 HG13 VAL A 30 -2.191 -0.283 1.920 1.00 24.15 H new ATOM 0 HG21 VAL A 30 -1.048 -3.161 1.790 1.00 43.13 H new ATOM 0 HG22 VAL A 30 -2.121 -2.615 3.100 1.00 43.13 H new ATOM 0 HG23 VAL A 30 -2.543 -4.058 2.148 1.00 43.13 H new ATOM 454 N ALA A 31 -5.602 -1.868 -0.580 1.00 3.54 N ATOM 455 CA ALA A 31 -6.317 -1.219 -1.691 1.00 22.03 C ATOM 456 C ALA A 31 -7.720 -0.748 -1.264 1.00 0.44 C ATOM 457 O ALA A 31 -8.213 0.250 -1.765 1.00 54.12 O ATOM 458 CB ALA A 31 -6.395 -2.162 -2.895 1.00 12.24 C ATOM 0 H ALA A 31 -5.516 -2.879 -0.681 1.00 3.54 H new ATOM 0 HA ALA A 31 -5.754 -0.332 -1.981 1.00 22.03 H new ATOM 0 HB1 ALA A 31 -6.926 -1.669 -3.709 1.00 12.24 H new ATOM 0 HB2 ALA A 31 -5.387 -2.419 -3.222 1.00 12.24 H new ATOM 0 HB3 ALA A 31 -6.927 -3.070 -2.612 1.00 12.24 H new ATOM 464 N ASP A 32 -8.344 -1.481 -0.329 1.00 34.15 N ATOM 465 CA ASP A 32 -9.649 -1.135 0.255 1.00 54.23 C ATOM 466 C ASP A 32 -9.521 0.004 1.284 1.00 63.24 C ATOM 467 O ASP A 32 -10.438 0.801 1.441 1.00 74.31 O ATOM 468 CB ASP A 32 -10.274 -2.393 0.905 1.00 44.42 C ATOM 469 CG ASP A 32 -11.003 -3.303 -0.101 1.00 12.42 C ATOM 470 OD1 ASP A 32 -11.854 -2.797 -0.870 1.00 23.44 O ATOM 471 OD2 ASP A 32 -10.739 -4.521 -0.130 1.00 23.01 O ATOM 0 H ASP A 32 -7.950 -2.343 0.048 1.00 34.15 H new ATOM 0 HA ASP A 32 -10.302 -0.779 -0.542 1.00 54.23 H new ATOM 0 HB2 ASP A 32 -9.489 -2.966 1.399 1.00 44.42 H new ATOM 0 HB3 ASP A 32 -10.977 -2.082 1.678 1.00 44.42 H new ATOM 476 N TYR A 33 -8.385 0.048 1.980 1.00 74.01 N ATOM 477 CA TYR A 33 -8.071 1.098 2.966 1.00 44.35 C ATOM 478 C TYR A 33 -7.792 2.446 2.250 1.00 5.42 C ATOM 479 O TYR A 33 -8.376 3.474 2.580 1.00 21.04 O ATOM 480 CB TYR A 33 -6.835 0.637 3.792 1.00 44.11 C ATOM 481 CG TYR A 33 -6.625 1.343 5.139 1.00 41.22 C ATOM 482 CD1 TYR A 33 -7.523 1.147 6.190 1.00 24.11 C ATOM 483 CD2 TYR A 33 -5.519 2.161 5.377 1.00 72.23 C ATOM 484 CE1 TYR A 33 -7.327 1.741 7.414 1.00 4.24 C ATOM 485 CE2 TYR A 33 -5.315 2.750 6.608 1.00 51.23 C ATOM 486 CZ TYR A 33 -6.221 2.541 7.622 1.00 22.30 C ATOM 487 OH TYR A 33 -6.015 3.123 8.852 1.00 31.53 O ATOM 0 H TYR A 33 -7.646 -0.648 1.879 1.00 74.01 H new ATOM 0 HA TYR A 33 -8.918 1.254 3.634 1.00 44.35 H new ATOM 0 HB2 TYR A 33 -6.924 -0.434 3.975 1.00 44.11 H new ATOM 0 HB3 TYR A 33 -5.942 0.783 3.185 1.00 44.11 H new ATOM 0 HD1 TYR A 33 -8.387 0.517 6.039 1.00 24.11 H new ATOM 0 HD2 TYR A 33 -4.809 2.336 4.582 1.00 72.23 H new ATOM 0 HE1 TYR A 33 -8.037 1.582 8.212 1.00 4.24 H new ATOM 0 HE2 TYR A 33 -4.448 3.372 6.775 1.00 51.23 H new ATOM 0 HH TYR A 33 -5.697 2.446 9.485 1.00 31.53 H new ATOM 497 N PHE A 34 -6.916 2.390 1.232 1.00 45.40 N ATOM 498 CA PHE A 34 -6.415 3.582 0.511 1.00 44.41 C ATOM 499 C PHE A 34 -7.361 4.104 -0.615 1.00 45.22 C ATOM 500 O PHE A 34 -7.204 5.254 -1.048 1.00 12.53 O ATOM 501 CB PHE A 34 -4.992 3.289 -0.051 1.00 54.15 C ATOM 502 CG PHE A 34 -3.857 3.308 0.991 1.00 31.22 C ATOM 503 CD1 PHE A 34 -3.815 2.379 2.035 1.00 34.14 C ATOM 504 CD2 PHE A 34 -2.827 4.249 0.922 1.00 21.32 C ATOM 505 CE1 PHE A 34 -2.791 2.389 2.961 1.00 44.21 C ATOM 506 CE2 PHE A 34 -1.806 4.261 1.852 1.00 0.23 C ATOM 507 CZ PHE A 34 -1.789 3.332 2.874 1.00 23.22 C ATOM 0 H PHE A 34 -6.531 1.513 0.881 1.00 45.40 H new ATOM 0 HA PHE A 34 -6.377 4.390 1.241 1.00 44.41 H new ATOM 0 HB2 PHE A 34 -5.004 2.312 -0.534 1.00 54.15 H new ATOM 0 HB3 PHE A 34 -4.766 4.024 -0.824 1.00 54.15 H new ATOM 0 HD1 PHE A 34 -4.598 1.640 2.119 1.00 34.14 H new ATOM 0 HD2 PHE A 34 -2.829 4.980 0.127 1.00 21.32 H new ATOM 0 HE1 PHE A 34 -2.775 1.657 3.755 1.00 44.21 H new ATOM 0 HE2 PHE A 34 -1.020 4.998 1.780 1.00 0.23 H new ATOM 0 HZ PHE A 34 -0.993 3.344 3.603 1.00 23.22 H new ATOM 517 N LYS A 35 -8.342 3.287 -1.089 1.00 62.32 N ATOM 518 CA LYS A 35 -9.253 3.715 -2.198 1.00 41.01 C ATOM 519 C LYS A 35 -10.205 4.879 -1.803 1.00 44.44 C ATOM 520 O LYS A 35 -10.777 5.526 -2.688 1.00 64.43 O ATOM 521 CB LYS A 35 -10.095 2.544 -2.761 1.00 24.13 C ATOM 522 CG LYS A 35 -11.045 1.868 -1.742 1.00 20.24 C ATOM 523 CD LYS A 35 -12.150 1.008 -2.406 1.00 13.44 C ATOM 524 CE LYS A 35 -11.624 0.015 -3.465 1.00 73.35 C ATOM 525 NZ LYS A 35 -10.677 -0.980 -2.906 1.00 13.51 N ATOM 0 H LYS A 35 -8.523 2.349 -0.733 1.00 62.32 H new ATOM 0 HA LYS A 35 -8.579 4.076 -2.975 1.00 41.01 H new ATOM 0 HB2 LYS A 35 -10.688 2.913 -3.598 1.00 24.13 H new ATOM 0 HB3 LYS A 35 -9.418 1.789 -3.159 1.00 24.13 H new ATOM 0 HG2 LYS A 35 -10.459 1.239 -1.072 1.00 20.24 H new ATOM 0 HG3 LYS A 35 -11.514 2.637 -1.128 1.00 20.24 H new ATOM 0 HD2 LYS A 35 -12.677 0.451 -1.631 1.00 13.44 H new ATOM 0 HD3 LYS A 35 -12.879 1.670 -2.874 1.00 13.44 H new ATOM 0 HE2 LYS A 35 -12.468 -0.508 -3.916 1.00 73.35 H new ATOM 0 HE3 LYS A 35 -11.130 0.570 -4.262 1.00 73.35 H new ATOM 0 HZ1 LYS A 35 -10.384 -1.640 -3.655 1.00 13.51 H new ATOM 0 HZ2 LYS A 35 -9.840 -0.490 -2.530 1.00 13.51 H new ATOM 0 HZ3 LYS A 35 -11.141 -1.509 -2.141 1.00 13.51 H new ATOM 539 N GLN A 36 -10.383 5.132 -0.484 1.00 44.24 N ATOM 540 CA GLN A 36 -11.187 6.281 0.022 1.00 55.50 C ATOM 541 C GLN A 36 -10.624 7.646 -0.467 1.00 52.22 C ATOM 542 O GLN A 36 -11.352 8.638 -0.548 1.00 10.14 O ATOM 543 CB GLN A 36 -11.242 6.265 1.577 1.00 0.30 C ATOM 544 CG GLN A 36 -9.878 6.467 2.280 1.00 73.42 C ATOM 545 CD GLN A 36 -9.970 6.439 3.809 1.00 33.34 C ATOM 546 OE1 GLN A 36 -10.173 7.466 4.452 1.00 71.14 O ATOM 547 NE2 GLN A 36 -9.830 5.273 4.403 1.00 3.20 N ATOM 0 H GLN A 36 -9.980 4.556 0.255 1.00 44.24 H new ATOM 0 HA GLN A 36 -12.194 6.169 -0.380 1.00 55.50 H new ATOM 0 HB2 GLN A 36 -11.925 7.047 1.910 1.00 0.30 H new ATOM 0 HB3 GLN A 36 -11.664 5.314 1.901 1.00 0.30 H new ATOM 0 HG2 GLN A 36 -9.189 5.689 1.951 1.00 73.42 H new ATOM 0 HG3 GLN A 36 -9.454 7.421 1.967 1.00 73.42 H new ATOM 0 HE21 GLN A 36 -9.662 4.434 3.847 1.00 3.20 H new ATOM 0 HE22 GLN A 36 -9.889 5.208 5.419 1.00 3.20 H new ATOM 556 N ILE A 37 -9.319 7.660 -0.781 1.00 40.32 N ATOM 557 CA ILE A 37 -8.602 8.838 -1.291 1.00 13.21 C ATOM 558 C ILE A 37 -8.730 8.954 -2.823 1.00 31.24 C ATOM 559 O ILE A 37 -8.933 10.054 -3.349 1.00 73.21 O ATOM 560 CB ILE A 37 -7.090 8.758 -0.847 1.00 75.02 C ATOM 561 CG1 ILE A 37 -6.973 8.989 0.687 1.00 65.43 C ATOM 562 CG2 ILE A 37 -6.178 9.735 -1.618 1.00 53.43 C ATOM 563 CD1 ILE A 37 -7.535 10.319 1.163 1.00 64.14 C ATOM 0 H ILE A 37 -8.723 6.838 -0.686 1.00 40.32 H new ATOM 0 HA ILE A 37 -9.051 9.737 -0.868 1.00 13.21 H new ATOM 0 HB ILE A 37 -6.739 7.756 -1.094 1.00 75.02 H new ATOM 0 HG12 ILE A 37 -7.492 8.182 1.205 1.00 65.43 H new ATOM 0 HG13 ILE A 37 -5.923 8.928 0.973 1.00 65.43 H new ATOM 0 HG21 ILE A 37 -5.152 9.630 -1.265 1.00 53.43 H new ATOM 0 HG22 ILE A 37 -6.221 9.509 -2.683 1.00 53.43 H new ATOM 0 HG23 ILE A 37 -6.516 10.758 -1.451 1.00 53.43 H new ATOM 0 HD11 ILE A 37 -7.414 10.400 2.243 1.00 64.14 H new ATOM 0 HD12 ILE A 37 -7.001 11.135 0.676 1.00 64.14 H new ATOM 0 HD13 ILE A 37 -8.594 10.377 0.912 1.00 64.14 H new ATOM 575 N GLY A 38 -8.632 7.821 -3.522 1.00 72.42 N ATOM 576 CA GLY A 38 -8.711 7.816 -4.986 1.00 74.23 C ATOM 577 C GLY A 38 -8.697 6.426 -5.601 1.00 3.32 C ATOM 578 O GLY A 38 -8.554 5.420 -4.897 1.00 63.03 O ATOM 0 H GLY A 38 -8.499 6.901 -3.102 1.00 72.42 H new ATOM 0 HA2 GLY A 38 -9.623 8.328 -5.292 1.00 74.23 H new ATOM 0 HA3 GLY A 38 -7.874 8.388 -5.387 1.00 74.23 H new ATOM 582 N ILE A 39 -8.843 6.378 -6.938 1.00 55.14 N ATOM 583 CA ILE A 39 -8.744 5.129 -7.708 1.00 3.42 C ATOM 584 C ILE A 39 -7.286 4.609 -7.684 1.00 21.11 C ATOM 585 O ILE A 39 -6.347 5.347 -7.982 1.00 10.34 O ATOM 586 CB ILE A 39 -9.223 5.323 -9.205 1.00 4.00 C ATOM 587 CG1 ILE A 39 -10.688 5.875 -9.245 1.00 50.42 C ATOM 588 CG2 ILE A 39 -9.102 4.000 -10.019 1.00 40.53 C ATOM 589 CD1 ILE A 39 -11.247 6.146 -10.640 1.00 52.14 C ATOM 0 H ILE A 39 -9.032 7.201 -7.511 1.00 55.14 H new ATOM 0 HA ILE A 39 -9.402 4.397 -7.240 1.00 3.42 H new ATOM 0 HB ILE A 39 -8.566 6.055 -9.675 1.00 4.00 H new ATOM 0 HG12 ILE A 39 -11.341 5.162 -8.742 1.00 50.42 H new ATOM 0 HG13 ILE A 39 -10.725 6.801 -8.671 1.00 50.42 H new ATOM 0 HG21 ILE A 39 -9.439 4.170 -11.042 1.00 40.53 H new ATOM 0 HG22 ILE A 39 -8.062 3.673 -10.029 1.00 40.53 H new ATOM 0 HG23 ILE A 39 -9.720 3.230 -9.556 1.00 40.53 H new ATOM 0 HD11 ILE A 39 -12.266 6.525 -10.557 1.00 52.14 H new ATOM 0 HD12 ILE A 39 -10.625 6.886 -11.144 1.00 52.14 H new ATOM 0 HD13 ILE A 39 -11.250 5.221 -11.217 1.00 52.14 H new ATOM 601 N ILE A 40 -7.125 3.349 -7.272 1.00 54.34 N ATOM 602 CA ILE A 40 -5.836 2.632 -7.314 1.00 41.42 C ATOM 603 C ILE A 40 -5.757 1.815 -8.620 1.00 2.32 C ATOM 604 O ILE A 40 -6.772 1.278 -9.072 1.00 64.33 O ATOM 605 CB ILE A 40 -5.681 1.715 -6.033 1.00 43.35 C ATOM 606 CG1 ILE A 40 -5.627 2.617 -4.755 1.00 75.42 C ATOM 607 CG2 ILE A 40 -4.439 0.780 -6.112 1.00 43.24 C ATOM 608 CD1 ILE A 40 -5.566 1.870 -3.442 1.00 31.31 C ATOM 0 H ILE A 40 -7.889 2.788 -6.896 1.00 54.34 H new ATOM 0 HA ILE A 40 -5.010 3.343 -7.304 1.00 41.42 H new ATOM 0 HB ILE A 40 -6.550 1.059 -5.982 1.00 43.35 H new ATOM 0 HG12 ILE A 40 -4.755 3.267 -4.825 1.00 75.42 H new ATOM 0 HG13 ILE A 40 -6.506 3.262 -4.747 1.00 75.42 H new ATOM 0 HG21 ILE A 40 -4.382 0.174 -5.208 1.00 43.24 H new ATOM 0 HG22 ILE A 40 -4.529 0.128 -6.981 1.00 43.24 H new ATOM 0 HG23 ILE A 40 -3.535 1.382 -6.203 1.00 43.24 H new ATOM 0 HD11 ILE A 40 -5.532 2.584 -2.619 1.00 31.31 H new ATOM 0 HD12 ILE A 40 -6.450 1.241 -3.340 1.00 31.31 H new ATOM 0 HD13 ILE A 40 -4.672 1.247 -3.419 1.00 31.31 H new ATOM 620 N LYS A 41 -4.562 1.755 -9.235 1.00 61.22 N ATOM 621 CA LYS A 41 -4.316 0.962 -10.466 1.00 12.12 C ATOM 622 C LYS A 41 -4.602 -0.532 -10.245 1.00 34.32 C ATOM 623 O LYS A 41 -4.359 -1.073 -9.169 1.00 3.42 O ATOM 624 CB LYS A 41 -2.856 1.163 -10.949 1.00 23.02 C ATOM 625 CG LYS A 41 -2.590 2.557 -11.537 1.00 34.31 C ATOM 626 CD LYS A 41 -1.096 2.852 -11.814 1.00 72.12 C ATOM 627 CE LYS A 41 -0.477 1.904 -12.853 1.00 11.52 C ATOM 628 NZ LYS A 41 -1.232 1.915 -14.136 1.00 54.51 N ATOM 0 H LYS A 41 -3.737 2.252 -8.898 1.00 61.22 H new ATOM 0 HA LYS A 41 -5.001 1.320 -11.234 1.00 12.12 H new ATOM 0 HB2 LYS A 41 -2.179 0.996 -10.112 1.00 23.02 H new ATOM 0 HB3 LYS A 41 -2.624 0.410 -11.702 1.00 23.02 H new ATOM 0 HG2 LYS A 41 -3.148 2.659 -12.468 1.00 34.31 H new ATOM 0 HG3 LYS A 41 -2.976 3.309 -10.849 1.00 34.31 H new ATOM 0 HD2 LYS A 41 -0.993 3.880 -12.162 1.00 72.12 H new ATOM 0 HD3 LYS A 41 -0.537 2.774 -10.881 1.00 72.12 H new ATOM 0 HE2 LYS A 41 0.557 2.194 -13.038 1.00 11.52 H new ATOM 0 HE3 LYS A 41 -0.457 0.890 -12.453 1.00 11.52 H new ATOM 0 HZ1 LYS A 41 -0.701 1.385 -14.856 1.00 54.51 H new ATOM 0 HZ2 LYS A 41 -2.162 1.471 -13.995 1.00 54.51 H new ATOM 0 HZ3 LYS A 41 -1.361 2.897 -14.454 1.00 54.51 H new ATOM 642 N THR A 42 -5.122 -1.177 -11.289 1.00 71.53 N ATOM 643 CA THR A 42 -5.482 -2.610 -11.269 1.00 41.22 C ATOM 644 C THR A 42 -4.839 -3.319 -12.471 1.00 22.14 C ATOM 645 O THR A 42 -5.071 -2.931 -13.628 1.00 10.11 O ATOM 646 CB THR A 42 -7.040 -2.820 -11.302 1.00 33.25 C ATOM 647 OG1 THR A 42 -7.644 -2.145 -10.190 1.00 20.25 O ATOM 648 CG2 THR A 42 -7.444 -4.313 -11.251 1.00 62.35 C ATOM 0 H THR A 42 -5.310 -0.724 -12.183 1.00 71.53 H new ATOM 0 HA THR A 42 -5.108 -3.037 -10.339 1.00 41.22 H new ATOM 0 HB THR A 42 -7.392 -2.409 -12.248 1.00 33.25 H new ATOM 0 HG1 THR A 42 -8.615 -2.277 -10.215 1.00 20.25 H new ATOM 0 HG21 THR A 42 -8.530 -4.397 -11.277 1.00 62.35 H new ATOM 0 HG22 THR A 42 -7.019 -4.834 -12.109 1.00 62.35 H new ATOM 0 HG23 THR A 42 -7.067 -4.761 -10.331 1.00 62.35 H new ATOM 656 N ASN A 43 -3.993 -4.323 -12.183 1.00 10.54 N ATOM 657 CA ASN A 43 -3.426 -5.220 -13.205 1.00 15.55 C ATOM 658 C ASN A 43 -4.576 -5.972 -13.908 1.00 33.44 C ATOM 659 O ASN A 43 -5.294 -6.742 -13.277 1.00 73.22 O ATOM 660 CB ASN A 43 -2.438 -6.219 -12.536 1.00 14.54 C ATOM 661 CG ASN A 43 -1.583 -7.042 -13.512 1.00 73.14 C ATOM 662 OD1 ASN A 43 -1.963 -7.300 -14.644 1.00 62.40 O ATOM 663 ND2 ASN A 43 -0.427 -7.486 -13.059 1.00 30.05 N ATOM 0 H ASN A 43 -3.683 -4.536 -11.235 1.00 10.54 H new ATOM 0 HA ASN A 43 -2.876 -4.642 -13.947 1.00 15.55 H new ATOM 0 HB2 ASN A 43 -1.773 -5.662 -11.876 1.00 14.54 H new ATOM 0 HB3 ASN A 43 -3.008 -6.905 -11.909 1.00 14.54 H new ATOM 0 HD21 ASN A 43 0.170 -8.057 -13.657 1.00 30.05 H new ATOM 0 HD22 ASN A 43 -0.130 -7.258 -12.110 1.00 30.05 H new ATOM 670 N LYS A 44 -4.746 -5.696 -15.202 1.00 15.15 N ATOM 671 CA LYS A 44 -5.810 -6.279 -16.044 1.00 44.03 C ATOM 672 C LYS A 44 -5.579 -7.789 -16.298 1.00 52.02 C ATOM 673 O LYS A 44 -6.534 -8.546 -16.503 1.00 11.43 O ATOM 674 CB LYS A 44 -5.864 -5.502 -17.391 1.00 55.34 C ATOM 675 CG LYS A 44 -5.987 -3.962 -17.233 1.00 25.32 C ATOM 676 CD LYS A 44 -7.293 -3.513 -16.527 1.00 34.42 C ATOM 677 CE LYS A 44 -8.557 -3.843 -17.342 1.00 21.52 C ATOM 678 NZ LYS A 44 -9.796 -3.440 -16.640 1.00 73.42 N ATOM 0 H LYS A 44 -4.141 -5.051 -15.710 1.00 15.15 H new ATOM 0 HA LYS A 44 -6.761 -6.187 -15.520 1.00 44.03 H new ATOM 0 HB2 LYS A 44 -4.964 -5.727 -17.963 1.00 55.34 H new ATOM 0 HB3 LYS A 44 -6.711 -5.865 -17.973 1.00 55.34 H new ATOM 0 HG2 LYS A 44 -5.132 -3.594 -16.666 1.00 25.32 H new ATOM 0 HG3 LYS A 44 -5.939 -3.499 -18.219 1.00 25.32 H new ATOM 0 HD2 LYS A 44 -7.358 -3.997 -15.552 1.00 34.42 H new ATOM 0 HD3 LYS A 44 -7.252 -2.439 -16.347 1.00 34.42 H new ATOM 0 HE2 LYS A 44 -8.507 -3.338 -18.307 1.00 21.52 H new ATOM 0 HE3 LYS A 44 -8.588 -4.914 -17.544 1.00 21.52 H new ATOM 0 HZ1 LYS A 44 -10.621 -3.681 -17.226 1.00 73.42 H new ATOM 0 HZ2 LYS A 44 -9.858 -3.941 -15.731 1.00 73.42 H new ATOM 0 HZ3 LYS A 44 -9.781 -2.414 -16.470 1.00 73.42 H new ATOM 692 N LYS A 45 -4.301 -8.208 -16.282 1.00 71.05 N ATOM 693 CA LYS A 45 -3.903 -9.612 -16.531 1.00 61.21 C ATOM 694 C LYS A 45 -4.287 -10.532 -15.354 1.00 61.12 C ATOM 695 O LYS A 45 -4.830 -11.616 -15.565 1.00 60.55 O ATOM 696 CB LYS A 45 -2.381 -9.693 -16.822 1.00 75.24 C ATOM 697 CG LYS A 45 -1.868 -8.828 -18.016 1.00 31.12 C ATOM 698 CD LYS A 45 -2.369 -9.296 -19.420 1.00 60.31 C ATOM 699 CE LYS A 45 -3.767 -8.757 -19.809 1.00 13.33 C ATOM 700 NZ LYS A 45 -4.216 -9.271 -21.125 1.00 73.44 N ATOM 0 H LYS A 45 -3.514 -7.587 -16.097 1.00 71.05 H new ATOM 0 HA LYS A 45 -4.448 -9.965 -17.406 1.00 61.21 H new ATOM 0 HB2 LYS A 45 -1.842 -9.393 -15.923 1.00 75.24 H new ATOM 0 HB3 LYS A 45 -2.123 -10.734 -17.015 1.00 75.24 H new ATOM 0 HG2 LYS A 45 -2.179 -7.795 -17.859 1.00 31.12 H new ATOM 0 HG3 LYS A 45 -0.778 -8.837 -18.012 1.00 31.12 H new ATOM 0 HD2 LYS A 45 -1.648 -8.980 -20.174 1.00 60.31 H new ATOM 0 HD3 LYS A 45 -2.394 -10.386 -19.439 1.00 60.31 H new ATOM 0 HE2 LYS A 45 -4.490 -9.040 -19.044 1.00 13.33 H new ATOM 0 HE3 LYS A 45 -3.741 -7.668 -19.835 1.00 13.33 H new ATOM 0 HZ1 LYS A 45 -5.156 -8.885 -21.346 1.00 73.44 H new ATOM 0 HZ2 LYS A 45 -3.541 -8.980 -21.860 1.00 73.44 H new ATOM 0 HZ3 LYS A 45 -4.267 -10.309 -21.093 1.00 73.44 H new ATOM 714 N THR A 46 -3.999 -10.088 -14.123 1.00 64.04 N ATOM 715 CA THR A 46 -4.370 -10.823 -12.888 1.00 14.01 C ATOM 716 C THR A 46 -5.830 -10.533 -12.475 1.00 2.42 C ATOM 717 O THR A 46 -6.528 -11.408 -11.960 1.00 24.30 O ATOM 718 CB THR A 46 -3.433 -10.441 -11.694 1.00 51.44 C ATOM 719 OG1 THR A 46 -3.575 -9.043 -11.386 1.00 74.15 O ATOM 720 CG2 THR A 46 -1.958 -10.751 -12.003 1.00 52.42 C ATOM 0 H THR A 46 -3.504 -9.214 -13.947 1.00 64.04 H new ATOM 0 HA THR A 46 -4.260 -11.883 -13.115 1.00 14.01 H new ATOM 0 HB THR A 46 -3.732 -11.043 -10.836 1.00 51.44 H new ATOM 0 HG1 THR A 46 -2.987 -8.812 -10.637 1.00 74.15 H new ATOM 0 HG21 THR A 46 -1.341 -10.471 -11.149 1.00 52.42 H new ATOM 0 HG22 THR A 46 -1.844 -11.817 -12.200 1.00 52.42 H new ATOM 0 HG23 THR A 46 -1.643 -10.185 -12.879 1.00 52.42 H new ATOM 728 N GLY A 47 -6.267 -9.288 -12.713 1.00 22.22 N ATOM 729 CA GLY A 47 -7.570 -8.793 -12.245 1.00 72.22 C ATOM 730 C GLY A 47 -7.517 -8.283 -10.793 1.00 14.10 C ATOM 731 O GLY A 47 -8.547 -8.165 -10.134 1.00 54.01 O ATOM 0 H GLY A 47 -5.728 -8.597 -13.235 1.00 22.22 H new ATOM 0 HA2 GLY A 47 -7.906 -7.987 -12.898 1.00 72.22 H new ATOM 0 HA3 GLY A 47 -8.307 -9.592 -12.320 1.00 72.22 H new ATOM 735 N GLN A 48 -6.294 -8.008 -10.297 1.00 62.22 N ATOM 736 CA GLN A 48 -6.036 -7.537 -8.910 1.00 10.14 C ATOM 737 C GLN A 48 -5.320 -6.163 -8.893 1.00 72.32 C ATOM 738 O GLN A 48 -4.592 -5.839 -9.833 1.00 61.23 O ATOM 739 CB GLN A 48 -5.181 -8.605 -8.173 1.00 62.24 C ATOM 740 CG GLN A 48 -5.938 -9.910 -7.854 1.00 52.31 C ATOM 741 CD GLN A 48 -6.911 -9.766 -6.684 1.00 21.22 C ATOM 742 OE1 GLN A 48 -6.545 -9.999 -5.543 1.00 11.14 O ATOM 743 NE2 GLN A 48 -8.140 -9.367 -6.948 1.00 74.44 N ATOM 0 H GLN A 48 -5.443 -8.106 -10.851 1.00 62.22 H new ATOM 0 HA GLN A 48 -6.991 -7.404 -8.401 1.00 10.14 H new ATOM 0 HB2 GLN A 48 -4.311 -8.843 -8.785 1.00 62.24 H new ATOM 0 HB3 GLN A 48 -4.809 -8.177 -7.242 1.00 62.24 H new ATOM 0 HG2 GLN A 48 -6.488 -10.230 -8.739 1.00 52.31 H new ATOM 0 HG3 GLN A 48 -5.217 -10.695 -7.625 1.00 52.31 H new ATOM 0 HE21 GLN A 48 -8.419 -9.179 -7.911 1.00 74.44 H new ATOM 0 HE22 GLN A 48 -8.811 -9.246 -6.189 1.00 74.44 H new ATOM 752 N PRO A 49 -5.517 -5.332 -7.811 1.00 45.25 N ATOM 753 CA PRO A 49 -4.821 -4.018 -7.664 1.00 0.11 C ATOM 754 C PRO A 49 -3.272 -4.151 -7.592 1.00 74.22 C ATOM 755 O PRO A 49 -2.742 -5.147 -7.083 1.00 2.34 O ATOM 756 CB PRO A 49 -5.412 -3.428 -6.353 1.00 71.53 C ATOM 757 CG PRO A 49 -6.015 -4.596 -5.617 1.00 43.03 C ATOM 758 CD PRO A 49 -6.450 -5.589 -6.675 1.00 52.41 C ATOM 0 HA PRO A 49 -4.984 -3.377 -8.530 1.00 0.11 H new ATOM 0 HB2 PRO A 49 -4.637 -2.947 -5.756 1.00 71.53 H new ATOM 0 HB3 PRO A 49 -6.165 -2.670 -6.569 1.00 71.53 H new ATOM 0 HG2 PRO A 49 -5.289 -5.044 -4.939 1.00 43.03 H new ATOM 0 HG3 PRO A 49 -6.863 -4.277 -5.011 1.00 43.03 H new ATOM 0 HD2 PRO A 49 -6.371 -6.615 -6.317 1.00 52.41 H new ATOM 0 HD3 PRO A 49 -7.488 -5.433 -6.967 1.00 52.41 H new ATOM 766 N MET A 50 -2.558 -3.144 -8.135 1.00 20.23 N ATOM 767 CA MET A 50 -1.082 -3.147 -8.199 1.00 54.43 C ATOM 768 C MET A 50 -0.479 -2.663 -6.865 1.00 41.15 C ATOM 769 O MET A 50 -0.375 -1.450 -6.614 1.00 11.23 O ATOM 770 CB MET A 50 -0.591 -2.247 -9.364 1.00 63.23 C ATOM 771 CG MET A 50 -1.130 -2.615 -10.737 1.00 73.23 C ATOM 772 SD MET A 50 -0.506 -1.497 -12.002 1.00 45.32 S ATOM 773 CE MET A 50 -1.626 -1.816 -13.351 1.00 14.43 C ATOM 0 H MET A 50 -2.985 -2.311 -8.539 1.00 20.23 H new ATOM 0 HA MET A 50 -0.749 -4.169 -8.379 1.00 54.43 H new ATOM 0 HB2 MET A 50 -0.868 -1.215 -9.147 1.00 63.23 H new ATOM 0 HB3 MET A 50 0.498 -2.284 -9.397 1.00 63.23 H new ATOM 0 HG2 MET A 50 -0.845 -3.639 -10.980 1.00 73.23 H new ATOM 0 HG3 MET A 50 -2.219 -2.582 -10.724 1.00 73.23 H new ATOM 0 HE1 MET A 50 -1.390 -1.153 -14.184 1.00 14.43 H new ATOM 0 HE2 MET A 50 -1.523 -2.853 -13.672 1.00 14.43 H new ATOM 0 HE3 MET A 50 -2.650 -1.637 -13.024 1.00 14.43 H new ATOM 783 N ILE A 51 -0.096 -3.629 -6.008 1.00 50.13 N ATOM 784 CA ILE A 51 0.560 -3.372 -4.698 1.00 62.43 C ATOM 785 C ILE A 51 1.600 -4.482 -4.426 1.00 41.21 C ATOM 786 O ILE A 51 1.228 -5.652 -4.294 1.00 52.50 O ATOM 787 CB ILE A 51 -0.477 -3.298 -3.486 1.00 23.01 C ATOM 788 CG1 ILE A 51 -1.546 -2.177 -3.722 1.00 71.44 C ATOM 789 CG2 ILE A 51 0.246 -3.086 -2.124 1.00 63.05 C ATOM 790 CD1 ILE A 51 -2.628 -2.070 -2.671 1.00 42.23 C ATOM 0 H ILE A 51 -0.232 -4.621 -6.201 1.00 50.13 H new ATOM 0 HA ILE A 51 1.042 -2.396 -4.761 1.00 62.43 H new ATOM 0 HB ILE A 51 -0.992 -4.258 -3.445 1.00 23.01 H new ATOM 0 HG12 ILE A 51 -1.032 -1.218 -3.786 1.00 71.44 H new ATOM 0 HG13 ILE A 51 -2.020 -2.350 -4.688 1.00 71.44 H new ATOM 0 HG21 ILE A 51 -0.492 -3.041 -1.323 1.00 63.05 H new ATOM 0 HG22 ILE A 51 0.929 -3.916 -1.941 1.00 63.05 H new ATOM 0 HG23 ILE A 51 0.808 -2.153 -2.152 1.00 63.05 H new ATOM 0 HD11 ILE A 51 -3.312 -1.263 -2.934 1.00 42.23 H new ATOM 0 HD12 ILE A 51 -3.178 -3.010 -2.618 1.00 42.23 H new ATOM 0 HD13 ILE A 51 -2.175 -1.860 -1.702 1.00 42.23 H new ATOM 802 N ASN A 52 2.898 -4.123 -4.320 1.00 23.22 N ATOM 803 CA ASN A 52 3.983 -5.115 -4.100 1.00 34.32 C ATOM 804 C ASN A 52 4.281 -5.229 -2.592 1.00 43.14 C ATOM 805 O ASN A 52 4.814 -4.287 -1.997 1.00 72.12 O ATOM 806 CB ASN A 52 5.276 -4.723 -4.862 1.00 11.23 C ATOM 807 CG ASN A 52 5.067 -4.594 -6.368 1.00 74.45 C ATOM 808 OD1 ASN A 52 4.768 -3.522 -6.872 1.00 22.24 O ATOM 809 ND2 ASN A 52 5.201 -5.687 -7.096 1.00 52.34 N ATOM 0 H ASN A 52 3.223 -3.158 -4.382 1.00 23.22 H new ATOM 0 HA ASN A 52 3.645 -6.077 -4.486 1.00 34.32 H new ATOM 0 HB2 ASN A 52 5.649 -3.776 -4.470 1.00 11.23 H new ATOM 0 HB3 ASN A 52 6.045 -5.472 -4.671 1.00 11.23 H new ATOM 0 HD21 ASN A 52 5.054 -5.649 -8.105 1.00 52.34 H new ATOM 0 HD22 ASN A 52 5.451 -6.569 -6.650 1.00 52.34 H new ATOM 816 N LEU A 53 3.926 -6.378 -1.990 1.00 63.12 N ATOM 817 CA LEU A 53 4.166 -6.656 -0.557 1.00 3.42 C ATOM 818 C LEU A 53 5.618 -7.148 -0.344 1.00 53.41 C ATOM 819 O LEU A 53 5.991 -8.215 -0.841 1.00 12.20 O ATOM 820 CB LEU A 53 3.166 -7.729 -0.039 1.00 40.52 C ATOM 821 CG LEU A 53 1.644 -7.412 -0.217 1.00 51.14 C ATOM 822 CD1 LEU A 53 0.776 -8.585 0.271 1.00 1.54 C ATOM 823 CD2 LEU A 53 1.242 -6.099 0.489 1.00 74.41 C ATOM 0 H LEU A 53 3.464 -7.143 -2.481 1.00 63.12 H new ATOM 0 HA LEU A 53 4.016 -5.733 0.004 1.00 3.42 H new ATOM 0 HB2 LEU A 53 3.380 -8.668 -0.548 1.00 40.52 H new ATOM 0 HB3 LEU A 53 3.359 -7.890 1.022 1.00 40.52 H new ATOM 0 HG LEU A 53 1.466 -7.274 -1.284 1.00 51.14 H new ATOM 0 HD11 LEU A 53 -0.277 -8.339 0.136 1.00 1.54 H new ATOM 0 HD12 LEU A 53 1.016 -9.479 -0.304 1.00 1.54 H new ATOM 0 HD13 LEU A 53 0.973 -8.769 1.327 1.00 1.54 H new ATOM 0 HD21 LEU A 53 0.178 -5.917 0.340 1.00 74.41 H new ATOM 0 HD22 LEU A 53 1.450 -6.181 1.556 1.00 74.41 H new ATOM 0 HD23 LEU A 53 1.814 -5.271 0.070 1.00 74.41 H new ATOM 835 N TYR A 54 6.422 -6.363 0.385 1.00 54.54 N ATOM 836 CA TYR A 54 7.816 -6.723 0.716 1.00 34.02 C ATOM 837 C TYR A 54 7.841 -7.896 1.720 1.00 60.43 C ATOM 838 O TYR A 54 7.328 -7.784 2.836 1.00 2.41 O ATOM 839 CB TYR A 54 8.575 -5.485 1.280 1.00 50.03 C ATOM 840 CG TYR A 54 8.891 -4.412 0.222 1.00 44.40 C ATOM 841 CD1 TYR A 54 7.870 -3.717 -0.436 1.00 42.02 C ATOM 842 CD2 TYR A 54 10.210 -4.113 -0.139 1.00 0.13 C ATOM 843 CE1 TYR A 54 8.148 -2.767 -1.394 1.00 60.20 C ATOM 844 CE2 TYR A 54 10.494 -3.165 -1.096 1.00 31.11 C ATOM 845 CZ TYR A 54 9.462 -2.495 -1.726 1.00 2.42 C ATOM 846 OH TYR A 54 9.744 -1.547 -2.684 1.00 3.22 O ATOM 0 H TYR A 54 6.130 -5.462 0.763 1.00 54.54 H new ATOM 0 HA TYR A 54 8.324 -7.045 -0.193 1.00 34.02 H new ATOM 0 HB2 TYR A 54 7.977 -5.035 2.073 1.00 50.03 H new ATOM 0 HB3 TYR A 54 9.508 -5.819 1.735 1.00 50.03 H new ATOM 0 HD1 TYR A 54 6.841 -3.930 -0.187 1.00 42.02 H new ATOM 0 HD2 TYR A 54 11.022 -4.637 0.343 1.00 0.13 H new ATOM 0 HE1 TYR A 54 7.344 -2.238 -1.883 1.00 60.20 H new ATOM 0 HE2 TYR A 54 11.520 -2.946 -1.354 1.00 31.11 H new ATOM 0 HH TYR A 54 10.715 -1.476 -2.798 1.00 3.22 H new ATOM 856 N THR A 55 8.418 -9.027 1.286 1.00 3.41 N ATOM 857 CA THR A 55 8.460 -10.288 2.064 1.00 53.20 C ATOM 858 C THR A 55 9.933 -10.727 2.263 1.00 41.02 C ATOM 859 O THR A 55 10.744 -10.619 1.335 1.00 62.01 O ATOM 860 CB THR A 55 7.663 -11.416 1.315 1.00 12.33 C ATOM 861 OG1 THR A 55 6.374 -10.912 0.905 1.00 30.12 O ATOM 862 CG2 THR A 55 7.450 -12.672 2.183 1.00 4.44 C ATOM 0 H THR A 55 8.875 -9.099 0.377 1.00 3.41 H new ATOM 0 HA THR A 55 7.998 -10.120 3.037 1.00 53.20 H new ATOM 0 HB THR A 55 8.262 -11.704 0.451 1.00 12.33 H new ATOM 0 HG1 THR A 55 5.881 -11.618 0.437 1.00 30.12 H new ATOM 0 HG21 THR A 55 6.894 -13.417 1.614 1.00 4.44 H new ATOM 0 HG22 THR A 55 8.417 -13.083 2.472 1.00 4.44 H new ATOM 0 HG23 THR A 55 6.888 -12.405 3.078 1.00 4.44 H new ATOM 870 N ASP A 56 10.262 -11.213 3.470 1.00 53.23 N ATOM 871 CA ASP A 56 11.636 -11.619 3.831 1.00 30.34 C ATOM 872 C ASP A 56 12.034 -12.946 3.151 1.00 61.13 C ATOM 873 O ASP A 56 11.267 -13.910 3.150 1.00 20.30 O ATOM 874 CB ASP A 56 11.787 -11.742 5.371 1.00 2.01 C ATOM 875 CG ASP A 56 13.202 -12.172 5.822 1.00 42.41 C ATOM 876 OD1 ASP A 56 14.203 -11.669 5.268 1.00 0.13 O ATOM 877 OD2 ASP A 56 13.324 -13.025 6.715 1.00 10.21 O ATOM 0 H ASP A 56 9.587 -11.337 4.224 1.00 53.23 H new ATOM 0 HA ASP A 56 12.309 -10.841 3.471 1.00 30.34 H new ATOM 0 HB2 ASP A 56 11.545 -10.783 5.829 1.00 2.01 H new ATOM 0 HB3 ASP A 56 11.061 -12.465 5.742 1.00 2.01 H new ATOM 882 N ARG A 57 13.261 -12.962 2.616 1.00 61.54 N ATOM 883 CA ARG A 57 13.856 -14.122 1.929 1.00 25.31 C ATOM 884 C ARG A 57 14.071 -15.334 2.877 1.00 3.24 C ATOM 885 O ARG A 57 13.854 -16.483 2.479 1.00 14.44 O ATOM 886 CB ARG A 57 15.206 -13.705 1.279 1.00 75.22 C ATOM 887 CG ARG A 57 16.208 -13.014 2.242 1.00 61.41 C ATOM 888 CD ARG A 57 17.567 -12.716 1.586 1.00 13.22 C ATOM 889 NE ARG A 57 18.300 -13.947 1.237 1.00 14.22 N ATOM 890 CZ ARG A 57 19.282 -14.036 0.358 1.00 25.43 C ATOM 891 NH1 ARG A 57 19.668 -13.013 -0.336 1.00 13.03 N ATOM 892 NH2 ARG A 57 19.873 -15.169 0.177 1.00 25.21 N ATOM 0 H ARG A 57 13.883 -12.154 2.648 1.00 61.54 H new ATOM 0 HA ARG A 57 13.153 -14.443 1.161 1.00 25.31 H new ATOM 0 HB2 ARG A 57 15.680 -14.592 0.860 1.00 75.22 H new ATOM 0 HB3 ARG A 57 15.000 -13.031 0.448 1.00 75.22 H new ATOM 0 HG2 ARG A 57 15.773 -12.082 2.602 1.00 61.41 H new ATOM 0 HG3 ARG A 57 16.363 -13.651 3.113 1.00 61.41 H new ATOM 0 HD2 ARG A 57 17.411 -12.121 0.686 1.00 13.22 H new ATOM 0 HD3 ARG A 57 18.172 -12.115 2.265 1.00 13.22 H new ATOM 0 HE ARG A 57 18.025 -14.804 1.716 1.00 14.22 H new ATOM 0 HH11 ARG A 57 19.211 -12.110 -0.211 1.00 13.03 H new ATOM 0 HH12 ARG A 57 20.429 -13.110 -1.008 1.00 13.03 H new ATOM 0 HH21 ARG A 57 19.581 -15.988 0.711 1.00 25.21 H new ATOM 0 HH22 ARG A 57 20.632 -15.246 -0.500 1.00 25.21 H new ATOM 906 N GLU A 58 14.479 -15.064 4.132 1.00 11.23 N ATOM 907 CA GLU A 58 14.898 -16.110 5.092 1.00 30.03 C ATOM 908 C GLU A 58 13.685 -16.792 5.765 1.00 53.52 C ATOM 909 O GLU A 58 13.532 -18.017 5.707 1.00 43.33 O ATOM 910 CB GLU A 58 15.829 -15.483 6.164 1.00 25.31 C ATOM 911 CG GLU A 58 17.113 -14.842 5.600 1.00 51.35 C ATOM 912 CD GLU A 58 17.984 -14.198 6.689 1.00 12.22 C ATOM 913 OE1 GLU A 58 17.736 -13.027 7.051 1.00 63.14 O ATOM 914 OE2 GLU A 58 18.900 -14.872 7.215 1.00 75.21 O ATOM 0 H GLU A 58 14.528 -14.118 4.511 1.00 11.23 H new ATOM 0 HA GLU A 58 15.437 -16.881 4.542 1.00 30.03 H new ATOM 0 HB2 GLU A 58 15.271 -14.725 6.713 1.00 25.31 H new ATOM 0 HB3 GLU A 58 16.108 -16.255 6.881 1.00 25.31 H new ATOM 0 HG2 GLU A 58 17.694 -15.602 5.078 1.00 51.35 H new ATOM 0 HG3 GLU A 58 16.843 -14.086 4.863 1.00 51.35 H new ATOM 921 N THR A 59 12.819 -15.982 6.393 1.00 32.14 N ATOM 922 CA THR A 59 11.665 -16.479 7.185 1.00 31.13 C ATOM 923 C THR A 59 10.442 -16.777 6.291 1.00 33.12 C ATOM 924 O THR A 59 9.640 -17.664 6.603 1.00 43.55 O ATOM 925 CB THR A 59 11.229 -15.448 8.282 1.00 32.32 C ATOM 926 OG1 THR A 59 10.763 -14.236 7.662 1.00 42.14 O ATOM 927 CG2 THR A 59 12.381 -15.118 9.251 1.00 45.10 C ATOM 0 H THR A 59 12.892 -14.965 6.371 1.00 32.14 H new ATOM 0 HA THR A 59 12.003 -17.400 7.660 1.00 31.13 H new ATOM 0 HB THR A 59 10.424 -15.905 8.858 1.00 32.32 H new ATOM 0 HG1 THR A 59 11.530 -13.677 7.419 1.00 42.14 H new ATOM 0 HG21 THR A 59 12.036 -14.400 9.995 1.00 45.10 H new ATOM 0 HG22 THR A 59 12.708 -16.030 9.751 1.00 45.10 H new ATOM 0 HG23 THR A 59 13.214 -14.691 8.693 1.00 45.10 H new ATOM 935 N GLY A 60 10.304 -16.014 5.190 1.00 30.42 N ATOM 936 CA GLY A 60 9.121 -16.090 4.319 1.00 32.34 C ATOM 937 C GLY A 60 7.933 -15.272 4.840 1.00 1.43 C ATOM 938 O GLY A 60 6.826 -15.372 4.301 1.00 64.00 O ATOM 0 H GLY A 60 11.002 -15.336 4.884 1.00 30.42 H new ATOM 0 HA2 GLY A 60 9.388 -15.737 3.323 1.00 32.34 H new ATOM 0 HA3 GLY A 60 8.819 -17.132 4.217 1.00 32.34 H new ATOM 942 N LYS A 61 8.161 -14.462 5.893 1.00 41.44 N ATOM 943 CA LYS A 61 7.115 -13.614 6.504 1.00 22.42 C ATOM 944 C LYS A 61 7.095 -12.197 5.897 1.00 12.43 C ATOM 945 O LYS A 61 8.119 -11.688 5.426 1.00 44.52 O ATOM 946 CB LYS A 61 7.328 -13.522 8.035 1.00 13.43 C ATOM 947 CG LYS A 61 7.298 -14.887 8.755 1.00 43.11 C ATOM 948 CD LYS A 61 7.354 -14.751 10.295 1.00 73.34 C ATOM 949 CE LYS A 61 7.271 -16.110 11.009 1.00 12.43 C ATOM 950 NZ LYS A 61 7.094 -15.953 12.473 1.00 62.22 N ATOM 0 H LYS A 61 9.072 -14.376 6.344 1.00 41.44 H new ATOM 0 HA LYS A 61 6.153 -14.082 6.294 1.00 22.42 H new ATOM 0 HB2 LYS A 61 8.286 -13.041 8.230 1.00 13.43 H new ATOM 0 HB3 LYS A 61 6.557 -12.881 8.461 1.00 13.43 H new ATOM 0 HG2 LYS A 61 6.390 -15.421 8.474 1.00 43.11 H new ATOM 0 HG3 LYS A 61 8.141 -15.490 8.417 1.00 43.11 H new ATOM 0 HD2 LYS A 61 8.280 -14.251 10.579 1.00 73.34 H new ATOM 0 HD3 LYS A 61 6.533 -14.117 10.631 1.00 73.34 H new ATOM 0 HE2 LYS A 61 6.439 -16.684 10.602 1.00 12.43 H new ATOM 0 HE3 LYS A 61 8.179 -16.680 10.812 1.00 12.43 H new ATOM 0 HZ1 LYS A 61 7.042 -16.891 12.919 1.00 62.22 H new ATOM 0 HZ2 LYS A 61 7.901 -15.427 12.866 1.00 62.22 H new ATOM 0 HZ3 LYS A 61 6.215 -15.431 12.662 1.00 62.22 H new ATOM 964 N LEU A 62 5.911 -11.575 5.928 1.00 21.42 N ATOM 965 CA LEU A 62 5.703 -10.187 5.479 1.00 41.24 C ATOM 966 C LEU A 62 6.458 -9.199 6.389 1.00 31.32 C ATOM 967 O LEU A 62 6.281 -9.213 7.603 1.00 44.14 O ATOM 968 CB LEU A 62 4.184 -9.866 5.468 1.00 2.24 C ATOM 969 CG LEU A 62 3.324 -10.773 4.529 1.00 2.20 C ATOM 970 CD1 LEU A 62 1.820 -10.508 4.701 1.00 3.53 C ATOM 971 CD2 LEU A 62 3.752 -10.610 3.055 1.00 11.41 C ATOM 0 H LEU A 62 5.060 -12.022 6.268 1.00 21.42 H new ATOM 0 HA LEU A 62 6.098 -10.080 4.469 1.00 41.24 H new ATOM 0 HB2 LEU A 62 3.802 -9.956 6.485 1.00 2.24 H new ATOM 0 HB3 LEU A 62 4.050 -8.827 5.167 1.00 2.24 H new ATOM 0 HG LEU A 62 3.506 -11.807 4.821 1.00 2.20 H new ATOM 0 HD11 LEU A 62 1.257 -11.158 4.031 1.00 3.53 H new ATOM 0 HD12 LEU A 62 1.530 -10.711 5.732 1.00 3.53 H new ATOM 0 HD13 LEU A 62 1.604 -9.467 4.462 1.00 3.53 H new ATOM 0 HD21 LEU A 62 3.137 -11.252 2.424 1.00 11.41 H new ATOM 0 HD22 LEU A 62 3.622 -9.571 2.751 1.00 11.41 H new ATOM 0 HD23 LEU A 62 4.800 -10.891 2.947 1.00 11.41 H new ATOM 983 N LYS A 63 7.285 -8.341 5.777 1.00 62.24 N ATOM 984 CA LYS A 63 8.116 -7.334 6.489 1.00 24.42 C ATOM 985 C LYS A 63 7.259 -6.173 7.077 1.00 42.34 C ATOM 986 O LYS A 63 7.739 -5.396 7.910 1.00 11.54 O ATOM 987 CB LYS A 63 9.180 -6.784 5.501 1.00 43.15 C ATOM 988 CG LYS A 63 10.174 -7.855 4.979 1.00 23.23 C ATOM 989 CD LYS A 63 11.016 -7.375 3.771 1.00 0.30 C ATOM 990 CE LYS A 63 11.822 -6.092 4.049 1.00 10.43 C ATOM 991 NZ LYS A 63 12.816 -6.273 5.133 1.00 51.21 N ATOM 0 H LYS A 63 7.404 -8.318 4.764 1.00 62.24 H new ATOM 0 HA LYS A 63 8.602 -7.819 7.336 1.00 24.42 H new ATOM 0 HB2 LYS A 63 8.671 -6.331 4.650 1.00 43.15 H new ATOM 0 HB3 LYS A 63 9.743 -5.991 5.994 1.00 43.15 H new ATOM 0 HG2 LYS A 63 10.845 -8.143 5.789 1.00 23.23 H new ATOM 0 HG3 LYS A 63 9.618 -8.748 4.693 1.00 23.23 H new ATOM 0 HD2 LYS A 63 11.703 -8.169 3.480 1.00 0.30 H new ATOM 0 HD3 LYS A 63 10.353 -7.201 2.924 1.00 0.30 H new ATOM 0 HE2 LYS A 63 12.334 -5.783 3.138 1.00 10.43 H new ATOM 0 HE3 LYS A 63 11.138 -5.287 4.318 1.00 10.43 H new ATOM 0 HZ1 LYS A 63 13.333 -5.383 5.283 1.00 51.21 H new ATOM 0 HZ2 LYS A 63 12.327 -6.541 6.011 1.00 51.21 H new ATOM 0 HZ3 LYS A 63 13.487 -7.022 4.867 1.00 51.21 H new ATOM 1005 N GLY A 64 5.985 -6.092 6.644 1.00 72.24 N ATOM 1006 CA GLY A 64 5.083 -4.996 7.022 1.00 32.24 C ATOM 1007 C GLY A 64 5.307 -3.751 6.169 1.00 60.01 C ATOM 1008 O GLY A 64 5.110 -2.627 6.627 1.00 2.21 O ATOM 0 H GLY A 64 5.558 -6.782 6.026 1.00 72.24 H new ATOM 0 HA2 GLY A 64 4.049 -5.325 6.918 1.00 32.24 H new ATOM 0 HA3 GLY A 64 5.235 -4.748 8.072 1.00 32.24 H new ATOM 1012 N GLU A 65 5.740 -3.963 4.916 1.00 14.45 N ATOM 1013 CA GLU A 65 6.056 -2.886 3.952 1.00 53.44 C ATOM 1014 C GLU A 65 5.454 -3.235 2.570 1.00 12.40 C ATOM 1015 O GLU A 65 5.343 -4.419 2.231 1.00 53.13 O ATOM 1016 CB GLU A 65 7.600 -2.703 3.849 1.00 43.45 C ATOM 1017 CG GLU A 65 8.298 -2.340 5.181 1.00 0.43 C ATOM 1018 CD GLU A 65 9.827 -2.234 5.071 1.00 1.23 C ATOM 1019 OE1 GLU A 65 10.509 -3.276 5.126 1.00 73.22 O ATOM 1020 OE2 GLU A 65 10.357 -1.117 4.922 1.00 24.31 O ATOM 0 H GLU A 65 5.884 -4.898 4.535 1.00 14.45 H new ATOM 0 HA GLU A 65 5.621 -1.948 4.297 1.00 53.44 H new ATOM 0 HB2 GLU A 65 8.037 -3.625 3.465 1.00 43.45 H new ATOM 0 HB3 GLU A 65 7.812 -1.922 3.119 1.00 43.45 H new ATOM 0 HG2 GLU A 65 7.902 -1.390 5.541 1.00 0.43 H new ATOM 0 HG3 GLU A 65 8.048 -3.093 5.928 1.00 0.43 H new ATOM 1027 N ALA A 66 5.070 -2.212 1.782 1.00 63.01 N ATOM 1028 CA ALA A 66 4.437 -2.412 0.451 1.00 23.21 C ATOM 1029 C ALA A 66 4.489 -1.147 -0.421 1.00 51.54 C ATOM 1030 O ALA A 66 4.635 -0.041 0.086 1.00 55.42 O ATOM 1031 CB ALA A 66 2.977 -2.875 0.601 1.00 72.11 C ATOM 0 H ALA A 66 5.185 -1.232 2.040 1.00 63.01 H new ATOM 0 HA ALA A 66 5.015 -3.188 -0.051 1.00 23.21 H new ATOM 0 HB1 ALA A 66 2.536 -3.014 -0.386 1.00 72.11 H new ATOM 0 HB2 ALA A 66 2.949 -3.818 1.147 1.00 72.11 H new ATOM 0 HB3 ALA A 66 2.411 -2.121 1.148 1.00 72.11 H new ATOM 1037 N THR A 67 4.353 -1.323 -1.747 1.00 11.14 N ATOM 1038 CA THR A 67 4.262 -0.192 -2.714 1.00 64.32 C ATOM 1039 C THR A 67 2.878 -0.157 -3.412 1.00 64.30 C ATOM 1040 O THR A 67 2.556 -1.035 -4.202 1.00 0.53 O ATOM 1041 CB THR A 67 5.404 -0.245 -3.784 1.00 71.42 C ATOM 1042 OG1 THR A 67 5.479 -1.555 -4.362 1.00 43.02 O ATOM 1043 CG2 THR A 67 6.767 0.145 -3.193 1.00 43.02 C ATOM 0 H THR A 67 4.302 -2.242 -2.186 1.00 11.14 H new ATOM 0 HA THR A 67 4.384 0.725 -2.137 1.00 64.32 H new ATOM 0 HB THR A 67 5.159 0.483 -4.557 1.00 71.42 H new ATOM 0 HG1 THR A 67 6.407 -1.870 -4.339 1.00 43.02 H new ATOM 0 HG21 THR A 67 7.529 0.094 -3.971 1.00 43.02 H new ATOM 0 HG22 THR A 67 6.716 1.161 -2.801 1.00 43.02 H new ATOM 0 HG23 THR A 67 7.024 -0.543 -2.387 1.00 43.02 H new ATOM 1051 N VAL A 68 2.093 0.909 -3.138 1.00 42.22 N ATOM 1052 CA VAL A 68 0.685 1.061 -3.604 1.00 1.12 C ATOM 1053 C VAL A 68 0.619 1.979 -4.845 1.00 75.51 C ATOM 1054 O VAL A 68 0.826 3.191 -4.725 1.00 5.11 O ATOM 1055 CB VAL A 68 -0.228 1.677 -2.466 1.00 53.43 C ATOM 1056 CG1 VAL A 68 -1.735 1.660 -2.854 1.00 24.23 C ATOM 1057 CG2 VAL A 68 0.024 0.964 -1.118 1.00 41.14 C ATOM 0 H VAL A 68 2.417 1.700 -2.581 1.00 42.22 H new ATOM 0 HA VAL A 68 0.318 0.067 -3.861 1.00 1.12 H new ATOM 0 HB VAL A 68 0.050 2.724 -2.350 1.00 53.43 H new ATOM 0 HG11 VAL A 68 -2.324 2.092 -2.045 1.00 24.23 H new ATOM 0 HG12 VAL A 68 -1.883 2.244 -3.762 1.00 24.23 H new ATOM 0 HG13 VAL A 68 -2.055 0.632 -3.027 1.00 24.23 H new ATOM 0 HG21 VAL A 68 -0.613 1.402 -0.350 1.00 41.14 H new ATOM 0 HG22 VAL A 68 -0.206 -0.097 -1.219 1.00 41.14 H new ATOM 0 HG23 VAL A 68 1.069 1.083 -0.833 1.00 41.14 H new ATOM 1067 N SER A 69 0.344 1.404 -6.026 1.00 72.50 N ATOM 1068 CA SER A 69 0.253 2.175 -7.291 1.00 3.43 C ATOM 1069 C SER A 69 -1.157 2.778 -7.480 1.00 64.24 C ATOM 1070 O SER A 69 -2.089 2.065 -7.840 1.00 21.25 O ATOM 1071 CB SER A 69 0.611 1.275 -8.500 1.00 34.24 C ATOM 1072 OG SER A 69 1.906 0.710 -8.366 1.00 12.11 O ATOM 0 H SER A 69 0.179 0.404 -6.139 1.00 72.50 H new ATOM 0 HA SER A 69 0.969 2.995 -7.233 1.00 3.43 H new ATOM 0 HB2 SER A 69 -0.127 0.478 -8.592 1.00 34.24 H new ATOM 0 HB3 SER A 69 0.562 1.861 -9.418 1.00 34.24 H new ATOM 0 HG SER A 69 2.575 1.426 -8.348 1.00 12.11 H new ATOM 1078 N PHE A 70 -1.306 4.085 -7.200 1.00 54.22 N ATOM 1079 CA PHE A 70 -2.547 4.845 -7.507 1.00 13.25 C ATOM 1080 C PHE A 70 -2.627 5.198 -9.002 1.00 2.10 C ATOM 1081 O PHE A 70 -1.606 5.275 -9.687 1.00 14.23 O ATOM 1082 CB PHE A 70 -2.636 6.152 -6.668 1.00 73.21 C ATOM 1083 CG PHE A 70 -3.025 5.933 -5.215 1.00 3.20 C ATOM 1084 CD1 PHE A 70 -2.113 5.407 -4.307 1.00 42.14 C ATOM 1085 CD2 PHE A 70 -4.308 6.254 -4.760 1.00 2.40 C ATOM 1086 CE1 PHE A 70 -2.467 5.213 -2.999 1.00 40.43 C ATOM 1087 CE2 PHE A 70 -4.656 6.057 -3.447 1.00 41.51 C ATOM 1088 CZ PHE A 70 -3.733 5.535 -2.570 1.00 45.25 C ATOM 0 H PHE A 70 -0.579 4.648 -6.758 1.00 54.22 H new ATOM 0 HA PHE A 70 -3.385 4.199 -7.246 1.00 13.25 H new ATOM 0 HB2 PHE A 70 -1.672 6.659 -6.702 1.00 73.21 H new ATOM 0 HB3 PHE A 70 -3.363 6.819 -7.131 1.00 73.21 H new ATOM 0 HD1 PHE A 70 -1.117 5.149 -4.636 1.00 42.14 H new ATOM 0 HD2 PHE A 70 -5.033 6.661 -5.449 1.00 2.40 H new ATOM 0 HE1 PHE A 70 -1.750 4.806 -2.302 1.00 40.43 H new ATOM 0 HE2 PHE A 70 -5.648 6.310 -3.104 1.00 41.51 H new ATOM 0 HZ PHE A 70 -4.005 5.377 -1.537 1.00 45.25 H new ATOM 1098 N ASP A 71 -3.851 5.420 -9.489 1.00 44.25 N ATOM 1099 CA ASP A 71 -4.109 5.786 -10.893 1.00 21.32 C ATOM 1100 C ASP A 71 -3.777 7.275 -11.156 1.00 32.35 C ATOM 1101 O ASP A 71 -3.460 7.651 -12.284 1.00 34.22 O ATOM 1102 CB ASP A 71 -5.577 5.465 -11.249 1.00 44.04 C ATOM 1103 CG ASP A 71 -5.858 5.574 -12.752 1.00 63.15 C ATOM 1104 OD1 ASP A 71 -5.334 4.742 -13.517 1.00 62.33 O ATOM 1105 OD2 ASP A 71 -6.606 6.472 -13.180 1.00 42.32 O ATOM 0 H ASP A 71 -4.696 5.352 -8.923 1.00 44.25 H new ATOM 0 HA ASP A 71 -3.455 5.197 -11.536 1.00 21.32 H new ATOM 0 HB2 ASP A 71 -5.817 4.457 -10.911 1.00 44.04 H new ATOM 0 HB3 ASP A 71 -6.235 6.147 -10.710 1.00 44.04 H new ATOM 1110 N ASP A 72 -3.874 8.119 -10.112 1.00 45.11 N ATOM 1111 CA ASP A 72 -3.423 9.527 -10.171 1.00 1.31 C ATOM 1112 C ASP A 72 -2.316 9.821 -9.122 1.00 1.15 C ATOM 1113 O ASP A 72 -2.454 9.449 -7.950 1.00 70.44 O ATOM 1114 CB ASP A 72 -4.609 10.493 -9.949 1.00 13.33 C ATOM 1115 CG ASP A 72 -5.646 10.423 -11.073 1.00 40.41 C ATOM 1116 OD1 ASP A 72 -5.403 11.000 -12.154 1.00 62.40 O ATOM 1117 OD2 ASP A 72 -6.703 9.798 -10.895 1.00 53.53 O ATOM 0 H ASP A 72 -4.264 7.849 -9.209 1.00 45.11 H new ATOM 0 HA ASP A 72 -3.007 9.686 -11.166 1.00 1.31 H new ATOM 0 HB2 ASP A 72 -5.091 10.258 -9.000 1.00 13.33 H new ATOM 0 HB3 ASP A 72 -4.232 11.513 -9.871 1.00 13.33 H new ATOM 1122 N PRO A 73 -1.181 10.475 -9.541 1.00 35.40 N ATOM 1123 CA PRO A 73 -0.177 11.036 -8.597 1.00 55.34 C ATOM 1124 C PRO A 73 -0.747 12.014 -7.491 1.00 1.21 C ATOM 1125 O PRO A 73 -0.241 11.960 -6.366 1.00 1.33 O ATOM 1126 CB PRO A 73 0.887 11.713 -9.521 1.00 32.34 C ATOM 1127 CG PRO A 73 0.281 11.750 -10.899 1.00 2.01 C ATOM 1128 CD PRO A 73 -0.724 10.613 -10.953 1.00 64.13 C ATOM 0 HA PRO A 73 0.240 10.243 -7.977 1.00 55.34 H new ATOM 0 HB2 PRO A 73 1.123 12.718 -9.172 1.00 32.34 H new ATOM 0 HB3 PRO A 73 1.819 11.148 -9.520 1.00 32.34 H new ATOM 0 HG2 PRO A 73 -0.205 12.708 -11.084 1.00 2.01 H new ATOM 0 HG3 PRO A 73 1.048 11.628 -11.664 1.00 2.01 H new ATOM 0 HD2 PRO A 73 -1.554 10.844 -11.621 1.00 64.13 H new ATOM 0 HD3 PRO A 73 -0.268 9.693 -11.318 1.00 64.13 H new ATOM 1136 N PRO A 74 -1.764 12.936 -7.742 1.00 34.12 N ATOM 1137 CA PRO A 74 -2.362 13.754 -6.640 1.00 30.24 C ATOM 1138 C PRO A 74 -3.126 12.904 -5.584 1.00 62.04 C ATOM 1139 O PRO A 74 -3.248 13.316 -4.428 1.00 33.44 O ATOM 1140 CB PRO A 74 -3.311 14.732 -7.383 1.00 21.13 C ATOM 1141 CG PRO A 74 -3.624 14.057 -8.682 1.00 55.33 C ATOM 1142 CD PRO A 74 -2.362 13.314 -9.059 1.00 60.21 C ATOM 0 HA PRO A 74 -1.594 14.259 -6.054 1.00 30.24 H new ATOM 0 HB2 PRO A 74 -4.217 14.917 -6.806 1.00 21.13 H new ATOM 0 HB3 PRO A 74 -2.833 15.698 -7.545 1.00 21.13 H new ATOM 0 HG2 PRO A 74 -4.467 13.373 -8.577 1.00 55.33 H new ATOM 0 HG3 PRO A 74 -3.896 14.784 -9.447 1.00 55.33 H new ATOM 0 HD2 PRO A 74 -2.581 12.435 -9.666 1.00 60.21 H new ATOM 0 HD3 PRO A 74 -1.686 13.942 -9.640 1.00 60.21 H new ATOM 1150 N SER A 75 -3.619 11.716 -5.997 1.00 34.45 N ATOM 1151 CA SER A 75 -4.269 10.743 -5.078 1.00 73.01 C ATOM 1152 C SER A 75 -3.202 10.008 -4.239 1.00 3.34 C ATOM 1153 O SER A 75 -3.404 9.734 -3.058 1.00 15.12 O ATOM 1154 CB SER A 75 -5.108 9.718 -5.880 1.00 30.15 C ATOM 1155 OG SER A 75 -6.070 10.359 -6.705 1.00 60.02 O ATOM 0 H SER A 75 -3.581 11.402 -6.967 1.00 34.45 H new ATOM 0 HA SER A 75 -4.932 11.291 -4.408 1.00 73.01 H new ATOM 0 HB2 SER A 75 -4.447 9.109 -6.497 1.00 30.15 H new ATOM 0 HB3 SER A 75 -5.613 9.041 -5.190 1.00 30.15 H new ATOM 0 HG SER A 75 -6.580 9.683 -7.198 1.00 60.02 H new ATOM 1161 N ALA A 76 -2.054 9.713 -4.879 1.00 52.02 N ATOM 1162 CA ALA A 76 -0.881 9.115 -4.208 1.00 11.33 C ATOM 1163 C ALA A 76 -0.337 10.052 -3.100 1.00 1.31 C ATOM 1164 O ALA A 76 -0.126 9.626 -1.961 1.00 71.30 O ATOM 1165 CB ALA A 76 0.200 8.808 -5.249 1.00 63.11 C ATOM 0 H ALA A 76 -1.913 9.882 -5.875 1.00 52.02 H new ATOM 0 HA ALA A 76 -1.183 8.185 -3.727 1.00 11.33 H new ATOM 0 HB1 ALA A 76 1.066 8.367 -4.755 1.00 63.11 H new ATOM 0 HB2 ALA A 76 -0.193 8.108 -5.986 1.00 63.11 H new ATOM 0 HB3 ALA A 76 0.498 9.731 -5.747 1.00 63.11 H new ATOM 1171 N LYS A 77 -0.164 11.340 -3.463 1.00 42.21 N ATOM 1172 CA LYS A 77 0.303 12.405 -2.553 1.00 32.55 C ATOM 1173 C LYS A 77 -0.682 12.594 -1.379 1.00 45.31 C ATOM 1174 O LYS A 77 -0.272 12.678 -0.212 1.00 74.43 O ATOM 1175 CB LYS A 77 0.488 13.736 -3.369 1.00 73.23 C ATOM 1176 CG LYS A 77 1.043 14.961 -2.576 1.00 75.21 C ATOM 1177 CD LYS A 77 -0.051 15.797 -1.852 1.00 53.44 C ATOM 1178 CE LYS A 77 0.535 16.965 -1.042 1.00 52.50 C ATOM 1179 NZ LYS A 77 -0.504 17.689 -0.263 1.00 44.42 N ATOM 0 H LYS A 77 -0.347 11.673 -4.409 1.00 42.21 H new ATOM 0 HA LYS A 77 1.263 12.121 -2.123 1.00 32.55 H new ATOM 0 HB2 LYS A 77 1.160 13.535 -4.203 1.00 73.23 H new ATOM 0 HB3 LYS A 77 -0.476 14.013 -3.796 1.00 73.23 H new ATOM 0 HG2 LYS A 77 1.762 14.607 -1.838 1.00 75.21 H new ATOM 0 HG3 LYS A 77 1.585 15.610 -3.264 1.00 75.21 H new ATOM 0 HD2 LYS A 77 -0.752 16.187 -2.590 1.00 53.44 H new ATOM 0 HD3 LYS A 77 -0.618 15.147 -1.186 1.00 53.44 H new ATOM 0 HE2 LYS A 77 1.298 16.586 -0.362 1.00 52.50 H new ATOM 0 HE3 LYS A 77 1.030 17.662 -1.719 1.00 52.50 H new ATOM 0 HZ1 LYS A 77 -0.062 18.467 0.266 1.00 44.42 H new ATOM 0 HZ2 LYS A 77 -1.219 18.075 -0.912 1.00 44.42 H new ATOM 0 HZ3 LYS A 77 -0.959 17.032 0.403 1.00 44.42 H new ATOM 1193 N ALA A 78 -1.978 12.677 -1.717 1.00 2.32 N ATOM 1194 CA ALA A 78 -3.055 12.861 -0.727 1.00 14.21 C ATOM 1195 C ALA A 78 -3.102 11.700 0.289 1.00 44.24 C ATOM 1196 O ALA A 78 -3.260 11.934 1.491 1.00 42.31 O ATOM 1197 CB ALA A 78 -4.410 13.021 -1.431 1.00 64.44 C ATOM 0 H ALA A 78 -2.310 12.619 -2.680 1.00 2.32 H new ATOM 0 HA ALA A 78 -2.840 13.773 -0.170 1.00 14.21 H new ATOM 0 HB1 ALA A 78 -5.194 13.156 -0.685 1.00 64.44 H new ATOM 0 HB2 ALA A 78 -4.379 13.891 -2.086 1.00 64.44 H new ATOM 0 HB3 ALA A 78 -4.621 12.129 -2.022 1.00 64.44 H new ATOM 1203 N ALA A 79 -2.922 10.458 -0.212 1.00 62.23 N ATOM 1204 CA ALA A 79 -2.900 9.236 0.628 1.00 22.53 C ATOM 1205 C ALA A 79 -1.716 9.222 1.621 1.00 30.41 C ATOM 1206 O ALA A 79 -1.824 8.656 2.706 1.00 43.24 O ATOM 1207 CB ALA A 79 -2.862 7.986 -0.257 1.00 63.21 C ATOM 0 H ALA A 79 -2.788 10.273 -1.206 1.00 62.23 H new ATOM 0 HA ALA A 79 -3.816 9.237 1.220 1.00 22.53 H new ATOM 0 HB1 ALA A 79 -2.846 7.096 0.371 1.00 63.21 H new ATOM 0 HB2 ALA A 79 -3.746 7.964 -0.894 1.00 63.21 H new ATOM 0 HB3 ALA A 79 -1.967 8.007 -0.879 1.00 63.21 H new ATOM 1213 N ILE A 80 -0.584 9.828 1.236 1.00 53.14 N ATOM 1214 CA ILE A 80 0.560 10.018 2.152 1.00 74.45 C ATOM 1215 C ILE A 80 0.169 10.935 3.323 1.00 34.23 C ATOM 1216 O ILE A 80 0.144 10.502 4.462 1.00 71.34 O ATOM 1217 CB ILE A 80 1.806 10.599 1.402 1.00 61.35 C ATOM 1218 CG1 ILE A 80 2.224 9.640 0.259 1.00 73.53 C ATOM 1219 CG2 ILE A 80 2.988 10.861 2.371 1.00 42.44 C ATOM 1220 CD1 ILE A 80 3.360 10.138 -0.584 1.00 44.21 C ATOM 0 H ILE A 80 -0.432 10.197 0.297 1.00 53.14 H new ATOM 0 HA ILE A 80 0.832 9.039 2.546 1.00 74.45 H new ATOM 0 HB ILE A 80 1.529 11.562 0.973 1.00 61.35 H new ATOM 0 HG12 ILE A 80 2.503 8.679 0.691 1.00 73.53 H new ATOM 0 HG13 ILE A 80 1.362 9.463 -0.383 1.00 73.53 H new ATOM 0 HG21 ILE A 80 3.833 11.264 1.813 1.00 42.44 H new ATOM 0 HG22 ILE A 80 2.682 11.578 3.133 1.00 42.44 H new ATOM 0 HG23 ILE A 80 3.281 9.926 2.849 1.00 42.44 H new ATOM 0 HD11 ILE A 80 3.587 9.405 -1.359 1.00 44.21 H new ATOM 0 HD12 ILE A 80 3.081 11.083 -1.049 1.00 44.21 H new ATOM 0 HD13 ILE A 80 4.239 10.288 0.042 1.00 44.21 H new ATOM 1232 N ASP A 81 -0.197 12.184 2.999 1.00 25.51 N ATOM 1233 CA ASP A 81 -0.576 13.207 3.998 1.00 12.20 C ATOM 1234 C ASP A 81 -1.811 12.781 4.857 1.00 21.41 C ATOM 1235 O ASP A 81 -1.985 13.246 5.986 1.00 62.42 O ATOM 1236 CB ASP A 81 -0.832 14.542 3.257 1.00 44.10 C ATOM 1237 CG ASP A 81 -1.156 15.705 4.206 1.00 53.34 C ATOM 1238 OD1 ASP A 81 -0.237 16.175 4.912 1.00 21.43 O ATOM 1239 OD2 ASP A 81 -2.327 16.141 4.258 1.00 11.30 O ATOM 0 H ASP A 81 -0.240 12.519 2.036 1.00 25.51 H new ATOM 0 HA ASP A 81 0.243 13.326 4.707 1.00 12.20 H new ATOM 0 HB2 ASP A 81 0.048 14.797 2.666 1.00 44.10 H new ATOM 0 HB3 ASP A 81 -1.658 14.410 2.558 1.00 44.10 H new ATOM 1244 N TRP A 82 -2.648 11.891 4.306 1.00 74.15 N ATOM 1245 CA TRP A 82 -3.833 11.347 5.003 1.00 23.50 C ATOM 1246 C TRP A 82 -3.446 10.208 5.986 1.00 43.32 C ATOM 1247 O TRP A 82 -3.691 10.302 7.194 1.00 40.45 O ATOM 1248 CB TRP A 82 -4.837 10.834 3.944 1.00 30.32 C ATOM 1249 CG TRP A 82 -6.212 10.480 4.460 1.00 15.35 C ATOM 1250 CD1 TRP A 82 -6.671 9.247 4.829 1.00 2.53 C ATOM 1251 CD2 TRP A 82 -7.321 11.376 4.616 1.00 2.23 C ATOM 1252 NE1 TRP A 82 -7.986 9.321 5.197 1.00 14.14 N ATOM 1253 CE2 TRP A 82 -8.409 10.618 5.083 1.00 54.24 C ATOM 1254 CE3 TRP A 82 -7.492 12.748 4.410 1.00 62.14 C ATOM 1255 CZ2 TRP A 82 -9.655 11.180 5.342 1.00 5.51 C ATOM 1256 CZ3 TRP A 82 -8.729 13.309 4.668 1.00 24.54 C ATOM 1257 CH2 TRP A 82 -9.798 12.527 5.131 1.00 70.42 C ATOM 0 H TRP A 82 -2.526 11.524 3.362 1.00 74.15 H new ATOM 0 HA TRP A 82 -4.289 12.139 5.597 1.00 23.50 H new ATOM 0 HB2 TRP A 82 -4.944 11.597 3.173 1.00 30.32 H new ATOM 0 HB3 TRP A 82 -4.412 9.953 3.464 1.00 30.32 H new ATOM 0 HD1 TRP A 82 -6.080 8.343 4.830 1.00 2.53 H new ATOM 0 HE1 TRP A 82 -8.559 8.536 5.507 1.00 14.14 H new ATOM 0 HE3 TRP A 82 -6.674 13.358 4.056 1.00 62.14 H new ATOM 0 HZ2 TRP A 82 -10.479 10.578 5.696 1.00 5.51 H new ATOM 0 HZ3 TRP A 82 -8.875 14.367 4.510 1.00 24.54 H new ATOM 0 HH2 TRP A 82 -10.752 12.995 5.325 1.00 70.42 H new ATOM 1268 N PHE A 83 -2.833 9.141 5.439 1.00 30.15 N ATOM 1269 CA PHE A 83 -2.575 7.872 6.172 1.00 52.22 C ATOM 1270 C PHE A 83 -1.262 7.869 6.993 1.00 51.42 C ATOM 1271 O PHE A 83 -1.044 6.940 7.773 1.00 73.21 O ATOM 1272 CB PHE A 83 -2.573 6.683 5.182 1.00 5.31 C ATOM 1273 CG PHE A 83 -3.929 6.418 4.534 1.00 22.30 C ATOM 1274 CD1 PHE A 83 -4.971 5.877 5.277 1.00 4.41 C ATOM 1275 CD2 PHE A 83 -4.162 6.699 3.193 1.00 22.45 C ATOM 1276 CE1 PHE A 83 -6.192 5.620 4.694 1.00 23.42 C ATOM 1277 CE2 PHE A 83 -5.377 6.445 2.617 1.00 64.43 C ATOM 1278 CZ PHE A 83 -6.394 5.909 3.368 1.00 74.12 C ATOM 0 H PHE A 83 -2.500 9.128 4.475 1.00 30.15 H new ATOM 0 HA PHE A 83 -3.385 7.773 6.894 1.00 52.22 H new ATOM 0 HB2 PHE A 83 -1.838 6.875 4.400 1.00 5.31 H new ATOM 0 HB3 PHE A 83 -2.251 5.785 5.708 1.00 5.31 H new ATOM 0 HD1 PHE A 83 -4.822 5.656 6.323 1.00 4.41 H new ATOM 0 HD2 PHE A 83 -3.370 7.125 2.595 1.00 22.45 H new ATOM 0 HE1 PHE A 83 -6.991 5.191 5.281 1.00 23.42 H new ATOM 0 HE2 PHE A 83 -5.536 6.666 1.572 1.00 64.43 H new ATOM 0 HZ PHE A 83 -7.355 5.715 2.914 1.00 74.12 H new ATOM 1288 N ASP A 84 -0.389 8.873 6.805 1.00 51.35 N ATOM 1289 CA ASP A 84 0.871 8.986 7.581 1.00 21.14 C ATOM 1290 C ASP A 84 0.557 9.196 9.091 1.00 52.34 C ATOM 1291 O ASP A 84 -0.036 10.207 9.481 1.00 61.31 O ATOM 1292 CB ASP A 84 1.747 10.139 7.018 1.00 13.20 C ATOM 1293 CG ASP A 84 3.182 10.133 7.553 1.00 51.13 C ATOM 1294 OD1 ASP A 84 3.928 9.182 7.242 1.00 32.51 O ATOM 1295 OD2 ASP A 84 3.571 11.054 8.306 1.00 43.41 O ATOM 0 H ASP A 84 -0.527 9.620 6.125 1.00 51.35 H new ATOM 0 HA ASP A 84 1.435 8.058 7.483 1.00 21.14 H new ATOM 0 HB2 ASP A 84 1.773 10.067 5.931 1.00 13.20 H new ATOM 0 HB3 ASP A 84 1.280 11.093 7.264 1.00 13.20 H new ATOM 1300 N GLY A 85 0.945 8.209 9.912 1.00 23.30 N ATOM 1301 CA GLY A 85 0.647 8.187 11.353 1.00 71.15 C ATOM 1302 C GLY A 85 -0.623 7.408 11.741 1.00 62.13 C ATOM 1303 O GLY A 85 -0.924 7.281 12.931 1.00 41.32 O ATOM 0 H GLY A 85 1.477 7.399 9.594 1.00 23.30 H new ATOM 0 HA2 GLY A 85 1.497 7.752 11.878 1.00 71.15 H new ATOM 0 HA3 GLY A 85 0.547 9.214 11.704 1.00 71.15 H new ATOM 1307 N LYS A 86 -1.365 6.871 10.753 1.00 72.20 N ATOM 1308 CA LYS A 86 -2.671 6.189 10.996 1.00 34.33 C ATOM 1309 C LYS A 86 -2.503 4.657 11.156 1.00 35.43 C ATOM 1310 O LYS A 86 -1.737 4.030 10.443 1.00 31.12 O ATOM 1311 CB LYS A 86 -3.658 6.485 9.840 1.00 24.33 C ATOM 1312 CG LYS A 86 -3.985 7.979 9.629 1.00 70.50 C ATOM 1313 CD LYS A 86 -4.661 8.646 10.856 1.00 25.14 C ATOM 1314 CE LYS A 86 -5.018 10.122 10.590 1.00 73.33 C ATOM 1315 NZ LYS A 86 -5.572 10.798 11.786 1.00 1.21 N ATOM 0 H LYS A 86 -1.089 6.892 9.771 1.00 72.20 H new ATOM 0 HA LYS A 86 -3.071 6.584 11.930 1.00 34.33 H new ATOM 0 HB2 LYS A 86 -3.242 6.085 8.915 1.00 24.33 H new ATOM 0 HB3 LYS A 86 -4.588 5.948 10.029 1.00 24.33 H new ATOM 0 HG2 LYS A 86 -3.065 8.514 9.396 1.00 70.50 H new ATOM 0 HG3 LYS A 86 -4.640 8.080 8.764 1.00 70.50 H new ATOM 0 HD2 LYS A 86 -5.566 8.096 11.115 1.00 25.14 H new ATOM 0 HD3 LYS A 86 -3.993 8.584 11.715 1.00 25.14 H new ATOM 0 HE2 LYS A 86 -4.126 10.653 10.257 1.00 73.33 H new ATOM 0 HE3 LYS A 86 -5.743 10.176 9.778 1.00 73.33 H new ATOM 0 HZ1 LYS A 86 -5.795 11.787 11.554 1.00 1.21 H new ATOM 0 HZ2 LYS A 86 -6.438 10.310 12.091 1.00 1.21 H new ATOM 0 HZ3 LYS A 86 -4.872 10.773 12.555 1.00 1.21 H new ATOM 1329 N GLU A 87 -3.271 4.064 12.079 1.00 52.24 N ATOM 1330 CA GLU A 87 -3.179 2.624 12.421 1.00 64.32 C ATOM 1331 C GLU A 87 -3.906 1.725 11.379 1.00 31.33 C ATOM 1332 O GLU A 87 -5.127 1.814 11.230 1.00 74.32 O ATOM 1333 CB GLU A 87 -3.763 2.425 13.844 1.00 12.15 C ATOM 1334 CG GLU A 87 -3.042 3.256 14.930 1.00 64.32 C ATOM 1335 CD GLU A 87 -3.781 3.289 16.280 1.00 43.51 C ATOM 1336 OE1 GLU A 87 -3.562 2.390 17.111 1.00 2.54 O ATOM 1337 OE2 GLU A 87 -4.594 4.210 16.509 1.00 53.43 O ATOM 0 H GLU A 87 -3.979 4.565 12.616 1.00 52.24 H new ATOM 0 HA GLU A 87 -2.133 2.318 12.401 1.00 64.32 H new ATOM 0 HB2 GLU A 87 -4.820 2.693 13.835 1.00 12.15 H new ATOM 0 HB3 GLU A 87 -3.704 1.369 14.108 1.00 12.15 H new ATOM 0 HG2 GLU A 87 -2.043 2.848 15.083 1.00 64.32 H new ATOM 0 HG3 GLU A 87 -2.917 4.277 14.570 1.00 64.32 H new ATOM 1344 N PHE A 88 -3.139 0.861 10.673 1.00 3.41 N ATOM 1345 CA PHE A 88 -3.682 -0.076 9.648 1.00 54.33 C ATOM 1346 C PHE A 88 -4.056 -1.440 10.286 1.00 4.32 C ATOM 1347 O PHE A 88 -5.226 -1.699 10.570 1.00 32.33 O ATOM 1348 CB PHE A 88 -2.654 -0.256 8.484 1.00 15.12 C ATOM 1349 CG PHE A 88 -3.066 -1.252 7.380 1.00 52.32 C ATOM 1350 CD1 PHE A 88 -4.017 -0.909 6.426 1.00 3.51 C ATOM 1351 CD2 PHE A 88 -2.499 -2.531 7.304 1.00 30.22 C ATOM 1352 CE1 PHE A 88 -4.387 -1.799 5.437 1.00 24.31 C ATOM 1353 CE2 PHE A 88 -2.868 -3.418 6.316 1.00 33.12 C ATOM 1354 CZ PHE A 88 -3.814 -3.054 5.382 1.00 4.31 C ATOM 0 H PHE A 88 -2.129 0.790 10.794 1.00 3.41 H new ATOM 0 HA PHE A 88 -4.595 0.352 9.234 1.00 54.33 H new ATOM 0 HB2 PHE A 88 -2.479 0.717 8.024 1.00 15.12 H new ATOM 0 HB3 PHE A 88 -1.705 -0.584 8.909 1.00 15.12 H new ATOM 0 HD1 PHE A 88 -4.474 0.069 6.459 1.00 3.51 H new ATOM 0 HD2 PHE A 88 -1.759 -2.827 8.033 1.00 30.22 H new ATOM 0 HE1 PHE A 88 -5.127 -1.512 4.704 1.00 24.31 H new ATOM 0 HE2 PHE A 88 -2.416 -4.398 6.274 1.00 33.12 H new ATOM 0 HZ PHE A 88 -4.106 -3.749 4.609 1.00 4.31 H new ATOM 1364 N SER A 89 -3.041 -2.305 10.533 1.00 73.51 N ATOM 1365 CA SER A 89 -3.248 -3.671 11.095 1.00 34.42 C ATOM 1366 C SER A 89 -2.730 -3.735 12.550 1.00 64.10 C ATOM 1367 O SER A 89 -1.898 -4.574 12.912 1.00 23.14 O ATOM 1368 CB SER A 89 -2.544 -4.720 10.195 1.00 14.22 C ATOM 1369 OG SER A 89 -2.801 -6.044 10.624 1.00 53.00 O ATOM 0 H SER A 89 -2.062 -2.082 10.351 1.00 73.51 H new ATOM 0 HA SER A 89 -4.314 -3.899 11.113 1.00 34.42 H new ATOM 0 HB2 SER A 89 -2.882 -4.600 9.166 1.00 14.22 H new ATOM 0 HB3 SER A 89 -1.469 -4.539 10.200 1.00 14.22 H new ATOM 0 HG SER A 89 -2.473 -6.161 11.540 1.00 53.00 H new ATOM 1375 N GLY A 90 -3.246 -2.811 13.377 1.00 74.21 N ATOM 1376 CA GLY A 90 -2.847 -2.681 14.787 1.00 22.53 C ATOM 1377 C GLY A 90 -1.520 -1.936 14.990 1.00 30.03 C ATOM 1378 O GLY A 90 -0.989 -1.906 16.108 1.00 2.51 O ATOM 0 H GLY A 90 -3.951 -2.134 13.087 1.00 74.21 H new ATOM 0 HA2 GLY A 90 -3.634 -2.157 15.331 1.00 22.53 H new ATOM 0 HA3 GLY A 90 -2.765 -3.676 15.225 1.00 22.53 H new ATOM 1382 N ASN A 91 -0.976 -1.345 13.907 1.00 23.52 N ATOM 1383 CA ASN A 91 0.302 -0.587 13.933 1.00 74.01 C ATOM 1384 C ASN A 91 0.134 0.756 13.176 1.00 33.23 C ATOM 1385 O ASN A 91 -0.473 0.771 12.096 1.00 44.11 O ATOM 1386 CB ASN A 91 1.445 -1.405 13.268 1.00 42.44 C ATOM 1387 CG ASN A 91 1.611 -2.814 13.834 1.00 41.21 C ATOM 1388 OD1 ASN A 91 2.354 -3.035 14.787 1.00 33.54 O ATOM 1389 ND2 ASN A 91 0.926 -3.782 13.248 1.00 32.53 N ATOM 0 H ASN A 91 -1.409 -1.377 12.984 1.00 23.52 H new ATOM 0 HA ASN A 91 0.562 -0.397 14.974 1.00 74.01 H new ATOM 0 HB2 ASN A 91 1.252 -1.475 12.197 1.00 42.44 H new ATOM 0 HB3 ASN A 91 2.383 -0.863 13.388 1.00 42.44 H new ATOM 0 HD21 ASN A 91 1.007 -4.741 13.586 1.00 32.53 H new ATOM 0 HD22 ASN A 91 0.316 -3.569 12.458 1.00 32.53 H new ATOM 1396 N PRO A 92 0.665 1.901 13.718 1.00 75.53 N ATOM 1397 CA PRO A 92 0.630 3.209 13.021 1.00 73.54 C ATOM 1398 C PRO A 92 1.628 3.231 11.838 1.00 65.14 C ATOM 1399 O PRO A 92 2.840 3.086 12.042 1.00 54.14 O ATOM 1400 CB PRO A 92 1.013 4.236 14.133 1.00 43.51 C ATOM 1401 CG PRO A 92 1.055 3.450 15.421 1.00 35.21 C ATOM 1402 CD PRO A 92 1.352 2.021 15.029 1.00 74.34 C ATOM 0 HA PRO A 92 -0.340 3.432 12.577 1.00 73.54 H new ATOM 0 HB2 PRO A 92 1.979 4.697 13.924 1.00 43.51 H new ATOM 0 HB3 PRO A 92 0.281 5.042 14.190 1.00 43.51 H new ATOM 0 HG2 PRO A 92 1.823 3.838 16.090 1.00 35.21 H new ATOM 0 HG3 PRO A 92 0.105 3.520 15.951 1.00 35.21 H new ATOM 0 HD2 PRO A 92 2.423 1.837 14.945 1.00 74.34 H new ATOM 0 HD3 PRO A 92 0.963 1.310 15.758 1.00 74.34 H new ATOM 1410 N ILE A 93 1.109 3.374 10.608 1.00 0.33 N ATOM 1411 CA ILE A 93 1.922 3.299 9.377 1.00 40.22 C ATOM 1412 C ILE A 93 2.671 4.616 9.075 1.00 45.30 C ATOM 1413 O ILE A 93 2.263 5.694 9.494 1.00 23.12 O ATOM 1414 CB ILE A 93 1.056 2.862 8.130 1.00 72.51 C ATOM 1415 CG1 ILE A 93 -0.058 3.905 7.790 1.00 13.34 C ATOM 1416 CG2 ILE A 93 0.461 1.460 8.363 1.00 52.12 C ATOM 1417 CD1 ILE A 93 -1.024 3.499 6.683 1.00 13.21 C ATOM 0 H ILE A 93 0.118 3.544 10.436 1.00 0.33 H new ATOM 0 HA ILE A 93 2.674 2.532 9.562 1.00 40.22 H new ATOM 0 HB ILE A 93 1.716 2.822 7.263 1.00 72.51 H new ATOM 0 HG12 ILE A 93 -0.633 4.104 8.694 1.00 13.34 H new ATOM 0 HG13 ILE A 93 0.421 4.842 7.504 1.00 13.34 H new ATOM 0 HG21 ILE A 93 -0.134 1.169 7.497 1.00 52.12 H new ATOM 0 HG22 ILE A 93 1.268 0.742 8.507 1.00 52.12 H new ATOM 0 HG23 ILE A 93 -0.173 1.476 9.250 1.00 52.12 H new ATOM 0 HD11 ILE A 93 -1.755 4.293 6.528 1.00 13.21 H new ATOM 0 HD12 ILE A 93 -0.470 3.331 5.760 1.00 13.21 H new ATOM 0 HD13 ILE A 93 -1.540 2.582 6.968 1.00 13.21 H new ATOM 1429 N LYS A 94 3.794 4.492 8.351 1.00 41.13 N ATOM 1430 CA LYS A 94 4.595 5.634 7.870 1.00 54.35 C ATOM 1431 C LYS A 94 4.629 5.589 6.332 1.00 72.23 C ATOM 1432 O LYS A 94 5.216 4.669 5.745 1.00 2.23 O ATOM 1433 CB LYS A 94 6.032 5.577 8.454 1.00 24.30 C ATOM 1434 CG LYS A 94 6.930 6.777 8.070 1.00 51.53 C ATOM 1435 CD LYS A 94 8.342 6.692 8.691 1.00 53.12 C ATOM 1436 CE LYS A 94 9.143 5.475 8.195 1.00 33.10 C ATOM 1437 NZ LYS A 94 10.481 5.387 8.828 1.00 33.32 N ATOM 0 H LYS A 94 4.178 3.587 8.079 1.00 41.13 H new ATOM 0 HA LYS A 94 4.144 6.569 8.201 1.00 54.35 H new ATOM 0 HB2 LYS A 94 5.967 5.522 9.541 1.00 24.30 H new ATOM 0 HB3 LYS A 94 6.511 4.658 8.116 1.00 24.30 H new ATOM 0 HG2 LYS A 94 7.018 6.826 6.985 1.00 51.53 H new ATOM 0 HG3 LYS A 94 6.451 7.701 8.393 1.00 51.53 H new ATOM 0 HD2 LYS A 94 8.892 7.603 8.456 1.00 53.12 H new ATOM 0 HD3 LYS A 94 8.254 6.644 9.776 1.00 53.12 H new ATOM 0 HE2 LYS A 94 8.583 4.564 8.406 1.00 33.10 H new ATOM 0 HE3 LYS A 94 9.259 5.535 7.113 1.00 33.10 H new ATOM 0 HZ1 LYS A 94 10.983 4.553 8.463 1.00 33.32 H new ATOM 0 HZ2 LYS A 94 11.027 6.244 8.606 1.00 33.32 H new ATOM 0 HZ3 LYS A 94 10.372 5.303 9.859 1.00 33.32 H new ATOM 1451 N VAL A 95 3.985 6.571 5.685 1.00 13.34 N ATOM 1452 CA VAL A 95 3.793 6.579 4.222 1.00 30.12 C ATOM 1453 C VAL A 95 4.710 7.634 3.550 1.00 60.44 C ATOM 1454 O VAL A 95 4.854 8.755 4.042 1.00 51.05 O ATOM 1455 CB VAL A 95 2.292 6.866 3.838 1.00 72.05 C ATOM 1456 CG1 VAL A 95 2.054 6.605 2.332 1.00 31.14 C ATOM 1457 CG2 VAL A 95 1.310 6.039 4.708 1.00 61.45 C ATOM 0 H VAL A 95 3.583 7.381 6.157 1.00 13.34 H new ATOM 0 HA VAL A 95 4.061 5.587 3.858 1.00 30.12 H new ATOM 0 HB VAL A 95 2.095 7.919 4.039 1.00 72.05 H new ATOM 0 HG11 VAL A 95 1.012 6.809 2.088 1.00 31.14 H new ATOM 0 HG12 VAL A 95 2.699 7.257 1.743 1.00 31.14 H new ATOM 0 HG13 VAL A 95 2.283 5.564 2.102 1.00 31.14 H new ATOM 0 HG21 VAL A 95 0.285 6.264 4.414 1.00 61.45 H new ATOM 0 HG22 VAL A 95 1.504 4.976 4.565 1.00 61.45 H new ATOM 0 HG23 VAL A 95 1.450 6.295 5.758 1.00 61.45 H new ATOM 1467 N SER A 96 5.324 7.245 2.429 1.00 63.41 N ATOM 1468 CA SER A 96 6.155 8.123 1.563 1.00 3.43 C ATOM 1469 C SER A 96 5.897 7.770 0.089 1.00 41.11 C ATOM 1470 O SER A 96 5.076 6.908 -0.185 1.00 43.03 O ATOM 1471 CB SER A 96 7.655 7.945 1.909 1.00 11.51 C ATOM 1472 OG SER A 96 7.950 8.398 3.228 1.00 62.22 O ATOM 0 H SER A 96 5.263 6.289 2.079 1.00 63.41 H new ATOM 0 HA SER A 96 5.886 9.165 1.734 1.00 3.43 H new ATOM 0 HB2 SER A 96 7.927 6.894 1.816 1.00 11.51 H new ATOM 0 HB3 SER A 96 8.262 8.496 1.191 1.00 11.51 H new ATOM 0 HG SER A 96 8.904 8.269 3.412 1.00 62.22 H new ATOM 1478 N PHE A 97 6.554 8.456 -0.868 1.00 73.23 N ATOM 1479 CA PHE A 97 6.521 8.039 -2.297 1.00 24.14 C ATOM 1480 C PHE A 97 7.503 6.870 -2.540 1.00 64.32 C ATOM 1481 O PHE A 97 8.534 6.761 -1.862 1.00 22.41 O ATOM 1482 CB PHE A 97 6.871 9.212 -3.250 1.00 43.11 C ATOM 1483 CG PHE A 97 5.840 10.343 -3.279 1.00 24.51 C ATOM 1484 CD1 PHE A 97 4.714 10.265 -4.107 1.00 1.24 C ATOM 1485 CD2 PHE A 97 5.997 11.481 -2.491 1.00 24.34 C ATOM 1486 CE1 PHE A 97 3.789 11.289 -4.140 1.00 42.40 C ATOM 1487 CE2 PHE A 97 5.073 12.507 -2.526 1.00 62.03 C ATOM 1488 CZ PHE A 97 3.969 12.411 -3.350 1.00 64.53 C ATOM 0 H PHE A 97 7.109 9.292 -0.687 1.00 73.23 H new ATOM 0 HA PHE A 97 5.503 7.716 -2.514 1.00 24.14 H new ATOM 0 HB2 PHE A 97 7.836 9.626 -2.956 1.00 43.11 H new ATOM 0 HB3 PHE A 97 6.987 8.819 -4.260 1.00 43.11 H new ATOM 0 HD1 PHE A 97 4.567 9.393 -4.727 1.00 1.24 H new ATOM 0 HD2 PHE A 97 6.856 11.562 -1.842 1.00 24.34 H new ATOM 0 HE1 PHE A 97 2.924 11.215 -4.783 1.00 42.40 H new ATOM 0 HE2 PHE A 97 5.214 13.383 -1.910 1.00 62.03 H new ATOM 0 HZ PHE A 97 3.245 13.212 -3.378 1.00 64.53 H new ATOM 1498 N ALA A 98 7.173 5.999 -3.509 1.00 61.31 N ATOM 1499 CA ALA A 98 8.049 4.879 -3.902 1.00 32.42 C ATOM 1500 C ALA A 98 9.126 5.370 -4.897 1.00 23.43 C ATOM 1501 O ALA A 98 8.934 5.326 -6.114 1.00 73.42 O ATOM 1502 CB ALA A 98 7.220 3.723 -4.480 1.00 14.34 C ATOM 0 H ALA A 98 6.302 6.049 -4.037 1.00 61.31 H new ATOM 0 HA ALA A 98 8.562 4.499 -3.018 1.00 32.42 H new ATOM 0 HB1 ALA A 98 7.883 2.906 -4.764 1.00 14.34 H new ATOM 0 HB2 ALA A 98 6.513 3.371 -3.729 1.00 14.34 H new ATOM 0 HB3 ALA A 98 6.675 4.070 -5.358 1.00 14.34 H new ATOM 1508 N THR A 99 10.240 5.889 -4.356 1.00 35.03 N ATOM 1509 CA THR A 99 11.338 6.484 -5.165 1.00 31.15 C ATOM 1510 C THR A 99 12.366 5.402 -5.654 1.00 23.24 C ATOM 1511 O THR A 99 13.179 4.905 -4.845 1.00 64.30 O ATOM 1512 CB THR A 99 12.040 7.676 -4.398 1.00 12.53 C ATOM 1513 OG1 THR A 99 13.227 8.098 -5.098 1.00 52.23 O ATOM 1514 CG2 THR A 99 12.385 7.343 -2.925 1.00 71.43 C ATOM 1515 OXT THR A 99 12.340 5.043 -6.854 1.00 38.29 O ATOM 0 H THR A 99 10.413 5.912 -3.351 1.00 35.03 H new ATOM 0 HA THR A 99 10.886 6.904 -6.064 1.00 31.15 H new ATOM 0 HB THR A 99 11.315 8.489 -4.374 1.00 12.53 H new ATOM 0 HG1 THR A 99 13.648 8.837 -4.611 1.00 52.23 H new ATOM 0 HG21 THR A 99 12.864 8.205 -2.460 1.00 71.43 H new ATOM 0 HG22 THR A 99 11.471 7.099 -2.383 1.00 71.43 H new ATOM 0 HG23 THR A 99 13.063 6.490 -2.894 1.00 71.43 H new TER 1523 THR A 99