USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 722 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 71 LYS NZ :NH3+ 163:sc= 1.06 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.436 K(o=1.5,f=-5.1) USER MOD Set 2.1: A 7 HIS : no HE2:sc= 0.091 K(o=0.94,f=-1.6) USER MOD Set 2.2: A 9 SER OG : rot 65:sc= 0.852 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.125 (180deg=-0.576) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.0026 (180deg=-0.0894) USER MOD Single : A 3 HIS : no HE2:sc= 0.108 K(o=0.11,f=-0.95) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0.206 K(o=0.21,f=-0.84) USER MOD Single : A 8 HIS : no HD1:sc= -0.207 K(o=-0.21,f=-0.72) USER MOD Single : A 10 HIS : no HD1:sc= -0.0335 X(o=-0.034,f=-0.033) USER MOD Single : A 11 MET CE :methyl -113:sc= 0 (180deg=-0.781) USER MOD Single : A 13 SER OG : rot 180:sc= 0.00125 USER MOD Single : A 22 MET CE :methyl -160:sc= -0.384 (180deg=-1.25) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -91:sc= 1.24 USER MOD Single : A 34 THR OG1 : rot 94:sc= 0.488 USER MOD Single : A 36 GLN : amide:sc= -0.758 X(o=-0.76,f=-0.46) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.982 USER MOD Single : A 45 LYS NZ :NH3+ -109:sc= -0.925 (180deg=-3.34!) USER MOD Single : A 53 GLN : amide:sc= -0.357 K(o=-0.36,f=-0.87) USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= 0.877 (180deg=0.667) USER MOD Single : A 57 GLN : amide:sc= -0.781 K(o=-0.78,f=-5.1!) USER MOD Single : A 59 SER OG : rot -122:sc= 0.835 USER MOD Single : A 60 CYS SG : rot -32:sc= -3.81! USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.514 USER MOD Single : A 62 SER OG : rot 89:sc= 0.533 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 115:sc= 0.671 USER MOD Single : A 69 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= 0.656 K(o=0.66,f=0) USER MOD Single : A 77 MET CE :methyl 155:sc= -0.279 (180deg=-2.2) USER MOD Single : A 79 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.6) USER MOD Single : A 81 TYR OH : rot 100:sc= -0.368 USER MOD Single : A 90 GLN : amide:sc= -0.364 K(o=-0.36,f=-2.5!) USER MOD Single : A 92 MET CE :methyl 144:sc= -0.214 (180deg=-0.852) USER MOD Single : A 96 SER OG : rot 108:sc= 0.46 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.424 -5.728 -18.110 1.00 2.24 N ATOM 2 CA MET A 1 16.756 -5.761 -17.460 1.00 53.00 C ATOM 3 C MET A 1 16.745 -4.852 -16.229 1.00 21.24 C ATOM 4 O MET A 1 16.812 -3.624 -16.370 1.00 45.21 O ATOM 5 CB MET A 1 17.877 -5.320 -18.452 1.00 4.43 C ATOM 6 CG MET A 1 17.998 -6.186 -19.709 1.00 41.54 C ATOM 7 SD MET A 1 19.285 -5.615 -20.837 1.00 73.54 S ATOM 8 CE MET A 1 18.691 -3.976 -21.263 1.00 21.22 C ATOM 0 H1 MET A 1 15.387 -6.445 -18.863 1.00 2.24 H new ATOM 0 H2 MET A 1 14.688 -5.930 -17.404 1.00 2.24 H new ATOM 0 H3 MET A 1 15.261 -4.786 -18.520 1.00 2.24 H new ATOM 0 HA MET A 1 16.969 -6.785 -17.153 1.00 53.00 H new ATOM 0 HB2 MET A 1 17.691 -4.289 -18.754 1.00 4.43 H new ATOM 0 HB3 MET A 1 18.832 -5.330 -17.927 1.00 4.43 H new ATOM 0 HG2 MET A 1 18.209 -7.214 -19.416 1.00 41.54 H new ATOM 0 HG3 MET A 1 17.042 -6.194 -20.232 1.00 41.54 H new ATOM 0 HE1 MET A 1 19.188 -3.633 -22.171 1.00 21.22 H new ATOM 0 HE2 MET A 1 17.614 -4.011 -21.430 1.00 21.22 H new ATOM 0 HE3 MET A 1 18.909 -3.287 -20.448 1.00 21.22 H new ATOM 20 N GLY A 2 16.627 -5.457 -15.032 1.00 61.45 N ATOM 21 CA GLY A 2 16.654 -4.714 -13.775 1.00 53.14 C ATOM 22 C GLY A 2 15.439 -3.809 -13.587 1.00 42.23 C ATOM 23 O GLY A 2 14.304 -4.288 -13.659 1.00 71.24 O ATOM 0 H GLY A 2 16.512 -6.464 -14.918 1.00 61.45 H new ATOM 0 HA2 GLY A 2 16.707 -5.418 -12.945 1.00 53.14 H new ATOM 0 HA3 GLY A 2 17.560 -4.109 -13.737 1.00 53.14 H new ATOM 27 N HIS A 3 15.693 -2.497 -13.345 1.00 35.24 N ATOM 28 CA HIS A 3 14.649 -1.482 -13.030 1.00 2.43 C ATOM 29 C HIS A 3 13.887 -1.843 -11.734 1.00 5.21 C ATOM 30 O HIS A 3 12.765 -1.379 -11.496 1.00 20.15 O ATOM 31 CB HIS A 3 13.683 -1.251 -14.233 1.00 74.24 C ATOM 32 CG HIS A 3 14.357 -0.684 -15.458 1.00 11.20 C ATOM 33 ND1 HIS A 3 14.935 -1.470 -16.426 1.00 53.31 N ATOM 34 CD2 HIS A 3 14.544 0.595 -15.865 1.00 32.51 C ATOM 35 CE1 HIS A 3 15.444 -0.707 -17.369 1.00 21.30 C ATOM 36 NE2 HIS A 3 15.222 0.550 -17.056 1.00 50.44 N ATOM 0 H HIS A 3 16.636 -2.109 -13.363 1.00 35.24 H new ATOM 0 HA HIS A 3 15.157 -0.534 -12.852 1.00 2.43 H new ATOM 0 HB2 HIS A 3 13.212 -2.198 -14.495 1.00 74.24 H new ATOM 0 HB3 HIS A 3 12.887 -0.574 -13.922 1.00 74.24 H new ATOM 0 HD1 HIS A 3 14.965 -2.490 -16.415 1.00 53.31 H new ATOM 0 HD2 HIS A 3 14.219 1.485 -15.347 1.00 32.51 H new ATOM 0 HE1 HIS A 3 15.958 -1.055 -18.253 1.00 21.30 H new ATOM 45 N HIS A 4 14.547 -2.636 -10.875 1.00 65.30 N ATOM 46 CA HIS A 4 14.013 -3.069 -9.582 1.00 51.24 C ATOM 47 C HIS A 4 15.162 -3.028 -8.566 1.00 71.54 C ATOM 48 O HIS A 4 15.872 -4.020 -8.365 1.00 23.13 O ATOM 49 CB HIS A 4 13.377 -4.484 -9.686 1.00 1.44 C ATOM 50 CG HIS A 4 12.768 -4.976 -8.393 1.00 71.11 C ATOM 51 ND1 HIS A 4 13.410 -5.849 -7.540 1.00 55.21 N ATOM 52 CD2 HIS A 4 11.575 -4.702 -7.808 1.00 2.32 C ATOM 53 CE1 HIS A 4 12.646 -6.087 -6.495 1.00 74.40 C ATOM 54 NE2 HIS A 4 11.530 -5.407 -6.632 1.00 34.00 N ATOM 0 H HIS A 4 15.481 -2.998 -11.066 1.00 65.30 H new ATOM 0 HA HIS A 4 13.214 -2.403 -9.256 1.00 51.24 H new ATOM 0 HB2 HIS A 4 12.607 -4.470 -10.457 1.00 1.44 H new ATOM 0 HB3 HIS A 4 14.140 -5.192 -10.010 1.00 1.44 H new ATOM 0 HD2 HIS A 4 10.805 -4.051 -8.195 1.00 2.32 H new ATOM 0 HE1 HIS A 4 12.894 -6.732 -5.665 1.00 74.40 H new ATOM 0 HE2 HIS A 4 10.754 -5.404 -5.970 1.00 34.00 H new ATOM 63 N HIS A 5 15.375 -1.833 -7.999 1.00 63.33 N ATOM 64 CA HIS A 5 16.476 -1.543 -7.064 1.00 75.52 C ATOM 65 C HIS A 5 16.237 -0.171 -6.417 1.00 73.14 C ATOM 66 O HIS A 5 15.437 0.628 -6.924 1.00 60.00 O ATOM 67 CB HIS A 5 17.850 -1.553 -7.795 1.00 30.50 C ATOM 68 CG HIS A 5 18.038 -0.427 -8.791 1.00 75.33 C ATOM 69 ND1 HIS A 5 18.859 0.652 -8.549 1.00 14.23 N ATOM 70 CD2 HIS A 5 17.507 -0.221 -10.022 1.00 73.10 C ATOM 71 CE1 HIS A 5 18.821 1.467 -9.580 1.00 60.31 C ATOM 72 NE2 HIS A 5 18.013 0.961 -10.486 1.00 15.21 N ATOM 0 H HIS A 5 14.778 -1.026 -8.179 1.00 63.33 H new ATOM 0 HA HIS A 5 16.499 -2.318 -6.297 1.00 75.52 H new ATOM 0 HB2 HIS A 5 18.644 -1.499 -7.050 1.00 30.50 H new ATOM 0 HB3 HIS A 5 17.964 -2.504 -8.315 1.00 30.50 H new ATOM 0 HD2 HIS A 5 16.815 -0.869 -10.539 1.00 73.10 H new ATOM 0 HE1 HIS A 5 19.363 2.397 -9.668 1.00 60.31 H new ATOM 0 HE2 HIS A 5 17.798 1.383 -11.390 1.00 15.21 H new ATOM 81 N HIS A 6 16.954 0.111 -5.324 1.00 64.23 N ATOM 82 CA HIS A 6 16.881 1.414 -4.650 1.00 24.42 C ATOM 83 C HIS A 6 17.786 2.429 -5.351 1.00 11.15 C ATOM 84 O HIS A 6 19.011 2.328 -5.270 1.00 40.11 O ATOM 85 CB HIS A 6 17.269 1.307 -3.148 1.00 45.42 C ATOM 86 CG HIS A 6 16.195 0.722 -2.289 1.00 13.43 C ATOM 87 ND1 HIS A 6 15.664 1.371 -1.198 1.00 75.10 N ATOM 88 CD2 HIS A 6 15.543 -0.452 -2.376 1.00 44.45 C ATOM 89 CE1 HIS A 6 14.733 0.619 -0.663 1.00 73.31 C ATOM 90 NE2 HIS A 6 14.646 -0.491 -1.355 1.00 15.04 N ATOM 0 H HIS A 6 17.595 -0.549 -4.884 1.00 64.23 H new ATOM 0 HA HIS A 6 15.847 1.754 -4.707 1.00 24.42 H new ATOM 0 HB2 HIS A 6 18.167 0.697 -3.057 1.00 45.42 H new ATOM 0 HB3 HIS A 6 17.519 2.300 -2.775 1.00 45.42 H new ATOM 0 HD2 HIS A 6 15.703 -1.220 -3.118 1.00 44.45 H new ATOM 0 HE1 HIS A 6 14.138 0.871 0.202 1.00 73.31 H new ATOM 0 HE2 HIS A 6 14.007 -1.261 -1.159 1.00 15.04 H new ATOM 99 N HIS A 7 17.161 3.359 -6.084 1.00 21.43 N ATOM 100 CA HIS A 7 17.789 4.621 -6.490 1.00 74.42 C ATOM 101 C HIS A 7 18.052 5.407 -5.195 1.00 55.01 C ATOM 102 O HIS A 7 17.100 5.880 -4.581 1.00 63.55 O ATOM 103 CB HIS A 7 16.822 5.384 -7.441 1.00 5.10 C ATOM 104 CG HIS A 7 17.249 6.778 -7.805 1.00 31.23 C ATOM 105 ND1 HIS A 7 16.637 7.906 -7.297 1.00 23.04 N ATOM 106 CD2 HIS A 7 18.205 7.218 -8.643 1.00 35.40 C ATOM 107 CE1 HIS A 7 17.210 8.974 -7.809 1.00 63.43 C ATOM 108 NE2 HIS A 7 18.163 8.582 -8.624 1.00 55.41 N ATOM 0 H HIS A 7 16.201 3.256 -6.413 1.00 21.43 H new ATOM 0 HA HIS A 7 18.724 4.471 -7.030 1.00 74.42 H new ATOM 0 HB2 HIS A 7 16.708 4.805 -8.358 1.00 5.10 H new ATOM 0 HB3 HIS A 7 15.840 5.433 -6.971 1.00 5.10 H new ATOM 0 HD1 HIS A 7 15.864 7.911 -6.631 1.00 23.04 H new ATOM 0 HD2 HIS A 7 18.880 6.606 -9.223 1.00 35.40 H new ATOM 0 HE1 HIS A 7 16.943 9.998 -7.596 1.00 63.43 H new ATOM 117 N HIS A 8 19.328 5.455 -4.752 1.00 74.43 N ATOM 118 CA HIS A 8 19.688 5.950 -3.397 1.00 32.14 C ATOM 119 C HIS A 8 19.402 7.466 -3.231 1.00 73.05 C ATOM 120 O HIS A 8 20.269 8.324 -3.424 1.00 32.21 O ATOM 121 CB HIS A 8 21.158 5.569 -3.022 1.00 23.23 C ATOM 122 CG HIS A 8 22.246 6.140 -3.900 1.00 65.43 C ATOM 123 ND1 HIS A 8 22.918 7.301 -3.585 1.00 34.12 N ATOM 124 CD2 HIS A 8 22.803 5.688 -5.046 1.00 50.41 C ATOM 125 CE1 HIS A 8 23.833 7.540 -4.497 1.00 74.01 C ATOM 126 NE2 HIS A 8 23.786 6.576 -5.394 1.00 21.01 N ATOM 0 H HIS A 8 20.128 5.158 -5.310 1.00 74.43 H new ATOM 0 HA HIS A 8 19.039 5.443 -2.683 1.00 32.14 H new ATOM 0 HB2 HIS A 8 21.343 5.890 -1.997 1.00 23.23 H new ATOM 0 HB3 HIS A 8 21.243 4.482 -3.036 1.00 23.23 H new ATOM 0 HD2 HIS A 8 22.525 4.795 -5.586 1.00 50.41 H new ATOM 0 HE1 HIS A 8 24.508 8.383 -4.509 1.00 74.01 H new ATOM 0 HE2 HIS A 8 24.386 6.503 -6.216 1.00 21.01 H new ATOM 135 N SER A 9 18.152 7.772 -2.876 1.00 24.31 N ATOM 136 CA SER A 9 17.634 9.145 -2.763 1.00 63.41 C ATOM 137 C SER A 9 17.703 9.631 -1.297 1.00 64.21 C ATOM 138 O SER A 9 18.301 8.966 -0.436 1.00 61.42 O ATOM 139 CB SER A 9 16.185 9.153 -3.304 1.00 72.44 C ATOM 140 OG SER A 9 16.102 8.582 -4.603 1.00 44.00 O ATOM 0 H SER A 9 17.455 7.061 -2.654 1.00 24.31 H new ATOM 0 HA SER A 9 18.241 9.834 -3.349 1.00 63.41 H new ATOM 0 HB2 SER A 9 15.540 8.599 -2.622 1.00 72.44 H new ATOM 0 HB3 SER A 9 15.814 10.177 -3.333 1.00 72.44 H new ATOM 0 HG SER A 9 16.340 7.632 -4.559 1.00 44.00 H new ATOM 146 N HIS A 10 17.111 10.811 -1.040 1.00 10.01 N ATOM 147 CA HIS A 10 17.094 11.457 0.288 1.00 20.34 C ATOM 148 C HIS A 10 16.050 12.592 0.263 1.00 70.54 C ATOM 149 O HIS A 10 16.207 13.563 -0.484 1.00 71.21 O ATOM 150 CB HIS A 10 18.517 11.978 0.692 1.00 32.52 C ATOM 151 CG HIS A 10 19.165 12.930 -0.289 1.00 35.14 C ATOM 152 ND1 HIS A 10 19.359 14.267 -0.023 1.00 54.12 N ATOM 153 CD2 HIS A 10 19.692 12.716 -1.522 1.00 42.43 C ATOM 154 CE1 HIS A 10 19.961 14.833 -1.050 1.00 22.14 C ATOM 155 NE2 HIS A 10 20.173 13.913 -1.970 1.00 15.21 N ATOM 0 H HIS A 10 16.625 11.351 -1.756 1.00 10.01 H new ATOM 0 HA HIS A 10 16.814 10.728 1.048 1.00 20.34 H new ATOM 0 HB2 HIS A 10 18.441 12.476 1.659 1.00 32.52 H new ATOM 0 HB3 HIS A 10 19.175 11.119 0.826 1.00 32.52 H new ATOM 0 HD2 HIS A 10 19.725 11.774 -2.050 1.00 42.43 H new ATOM 0 HE1 HIS A 10 20.235 15.875 -1.125 1.00 22.14 H new ATOM 0 HE2 HIS A 10 20.624 14.070 -2.871 1.00 15.21 H new ATOM 164 N MET A 11 14.961 12.454 1.050 1.00 74.10 N ATOM 165 CA MET A 11 13.818 13.402 1.026 1.00 25.01 C ATOM 166 C MET A 11 14.003 14.496 2.115 1.00 54.44 C ATOM 167 O MET A 11 13.067 14.849 2.847 1.00 14.41 O ATOM 168 CB MET A 11 12.472 12.606 1.185 1.00 13.35 C ATOM 169 CG MET A 11 11.206 13.376 0.753 1.00 51.13 C ATOM 170 SD MET A 11 9.706 12.357 0.755 1.00 1.22 S ATOM 171 CE MET A 11 9.489 11.972 2.496 1.00 64.44 C ATOM 0 H MET A 11 14.846 11.690 1.716 1.00 74.10 H new ATOM 0 HA MET A 11 13.780 13.919 0.067 1.00 25.01 H new ATOM 0 HB2 MET A 11 12.538 11.688 0.601 1.00 13.35 H new ATOM 0 HB3 MET A 11 12.362 12.312 2.229 1.00 13.35 H new ATOM 0 HG2 MET A 11 11.060 14.225 1.421 1.00 51.13 H new ATOM 0 HG3 MET A 11 11.360 13.781 -0.247 1.00 51.13 H new ATOM 0 HE1 MET A 11 9.644 10.905 2.655 1.00 64.44 H new ATOM 0 HE2 MET A 11 10.212 12.535 3.086 1.00 64.44 H new ATOM 0 HE3 MET A 11 8.479 12.242 2.805 1.00 64.44 H new ATOM 181 N GLY A 12 15.244 15.038 2.195 1.00 70.11 N ATOM 182 CA GLY A 12 15.594 16.117 3.128 1.00 11.35 C ATOM 183 C GLY A 12 15.122 17.471 2.626 1.00 23.32 C ATOM 184 O GLY A 12 15.927 18.344 2.285 1.00 62.45 O ATOM 0 H GLY A 12 16.023 14.734 1.611 1.00 70.11 H new ATOM 0 HA2 GLY A 12 15.148 15.915 4.102 1.00 11.35 H new ATOM 0 HA3 GLY A 12 16.674 16.138 3.270 1.00 11.35 H new ATOM 188 N SER A 13 13.799 17.626 2.610 1.00 21.53 N ATOM 189 CA SER A 13 13.106 18.743 1.972 1.00 20.12 C ATOM 190 C SER A 13 11.710 18.848 2.586 1.00 74.14 C ATOM 191 O SER A 13 11.297 19.905 3.070 1.00 70.44 O ATOM 192 CB SER A 13 13.029 18.505 0.446 1.00 2.41 C ATOM 193 OG SER A 13 12.579 17.185 0.157 1.00 11.14 O ATOM 0 H SER A 13 13.164 16.961 3.052 1.00 21.53 H new ATOM 0 HA SER A 13 13.643 19.677 2.135 1.00 20.12 H new ATOM 0 HB2 SER A 13 12.352 19.231 -0.005 1.00 2.41 H new ATOM 0 HB3 SER A 13 14.011 18.664 -0.000 1.00 2.41 H new ATOM 0 HG SER A 13 12.537 17.059 -0.814 1.00 11.14 H new ATOM 199 N GLU A 14 10.998 17.706 2.567 1.00 53.50 N ATOM 200 CA GLU A 14 9.655 17.557 3.145 1.00 62.40 C ATOM 201 C GLU A 14 9.591 16.223 3.890 1.00 11.42 C ATOM 202 O GLU A 14 9.815 15.169 3.296 1.00 50.12 O ATOM 203 CB GLU A 14 8.560 17.621 2.042 1.00 44.13 C ATOM 204 CG GLU A 14 8.505 18.970 1.299 1.00 54.33 C ATOM 205 CD GLU A 14 7.371 19.065 0.272 1.00 74.34 C ATOM 206 OE1 GLU A 14 7.573 18.668 -0.892 1.00 60.12 O ATOM 207 OE2 GLU A 14 6.275 19.551 0.620 1.00 32.24 O ATOM 0 H GLU A 14 11.348 16.848 2.142 1.00 53.50 H new ATOM 0 HA GLU A 14 9.466 18.378 3.837 1.00 62.40 H new ATOM 0 HB2 GLU A 14 8.739 16.825 1.319 1.00 44.13 H new ATOM 0 HB3 GLU A 14 7.588 17.427 2.496 1.00 44.13 H new ATOM 0 HG2 GLU A 14 8.390 19.772 2.029 1.00 54.33 H new ATOM 0 HG3 GLU A 14 9.456 19.134 0.792 1.00 54.33 H new ATOM 214 N GLU A 15 9.310 16.293 5.193 1.00 25.31 N ATOM 215 CA GLU A 15 9.155 15.116 6.055 1.00 11.51 C ATOM 216 C GLU A 15 7.981 15.395 7.011 1.00 42.30 C ATOM 217 O GLU A 15 8.117 15.410 8.246 1.00 43.42 O ATOM 218 CB GLU A 15 10.481 14.816 6.814 1.00 63.01 C ATOM 219 CG GLU A 15 10.543 13.428 7.499 1.00 42.42 C ATOM 220 CD GLU A 15 10.654 12.264 6.502 1.00 13.44 C ATOM 221 OE1 GLU A 15 11.774 11.985 6.032 1.00 31.45 O ATOM 222 OE2 GLU A 15 9.634 11.621 6.185 1.00 55.04 O ATOM 0 H GLU A 15 9.182 17.177 5.686 1.00 25.31 H new ATOM 0 HA GLU A 15 8.935 14.224 5.468 1.00 11.51 H new ATOM 0 HB2 GLU A 15 11.310 14.895 6.111 1.00 63.01 H new ATOM 0 HB3 GLU A 15 10.631 15.585 7.571 1.00 63.01 H new ATOM 0 HG2 GLU A 15 11.398 13.402 8.175 1.00 42.42 H new ATOM 0 HG3 GLU A 15 9.650 13.291 8.109 1.00 42.42 H new ATOM 229 N ASP A 16 6.823 15.663 6.393 1.00 63.05 N ATOM 230 CA ASP A 16 5.572 15.981 7.096 1.00 32.13 C ATOM 231 C ASP A 16 4.712 14.724 7.235 1.00 13.43 C ATOM 232 O ASP A 16 4.699 13.860 6.348 1.00 5.13 O ATOM 233 CB ASP A 16 4.788 17.088 6.334 1.00 70.34 C ATOM 234 CG ASP A 16 4.377 16.677 4.912 1.00 43.31 C ATOM 235 OD1 ASP A 16 5.241 16.716 4.006 1.00 14.22 O ATOM 236 OD2 ASP A 16 3.202 16.295 4.703 1.00 44.34 O ATOM 0 H ASP A 16 6.727 15.665 5.378 1.00 63.05 H new ATOM 0 HA ASP A 16 5.816 16.352 8.091 1.00 32.13 H new ATOM 0 HB2 ASP A 16 3.894 17.346 6.902 1.00 70.34 H new ATOM 0 HB3 ASP A 16 5.402 17.987 6.281 1.00 70.34 H new ATOM 241 N ASP A 17 3.982 14.641 8.350 1.00 31.51 N ATOM 242 CA ASP A 17 3.052 13.539 8.631 1.00 42.12 C ATOM 243 C ASP A 17 1.677 13.782 7.984 1.00 53.24 C ATOM 244 O ASP A 17 0.755 13.012 8.225 1.00 42.32 O ATOM 245 CB ASP A 17 2.914 13.326 10.166 1.00 35.34 C ATOM 246 CG ASP A 17 4.212 12.817 10.812 1.00 31.24 C ATOM 247 OD1 ASP A 17 4.424 11.589 10.844 1.00 44.54 O ATOM 248 OD2 ASP A 17 5.035 13.642 11.271 1.00 62.31 O ATOM 0 H ASP A 17 4.018 15.341 9.091 1.00 31.51 H new ATOM 0 HA ASP A 17 3.463 12.631 8.190 1.00 42.12 H new ATOM 0 HB2 ASP A 17 2.624 14.266 10.635 1.00 35.34 H new ATOM 0 HB3 ASP A 17 2.113 12.613 10.359 1.00 35.34 H new ATOM 253 N GLY A 18 1.550 14.841 7.150 1.00 44.41 N ATOM 254 CA GLY A 18 0.309 15.110 6.418 1.00 53.54 C ATOM 255 C GLY A 18 0.080 14.110 5.291 1.00 43.12 C ATOM 256 O GLY A 18 -0.965 13.436 5.239 1.00 64.30 O ATOM 0 H GLY A 18 2.294 15.516 6.974 1.00 44.41 H new ATOM 0 HA2 GLY A 18 -0.533 15.076 7.109 1.00 53.54 H new ATOM 0 HA3 GLY A 18 0.343 16.119 6.006 1.00 53.54 H new ATOM 260 N VAL A 19 1.080 14.018 4.387 1.00 50.32 N ATOM 261 CA VAL A 19 1.099 13.032 3.286 1.00 53.24 C ATOM 262 C VAL A 19 1.088 11.596 3.849 1.00 72.43 C ATOM 263 O VAL A 19 0.327 10.748 3.390 1.00 51.24 O ATOM 264 CB VAL A 19 2.357 13.225 2.351 1.00 40.23 C ATOM 265 CG1 VAL A 19 2.394 12.182 1.202 1.00 2.53 C ATOM 266 CG2 VAL A 19 2.408 14.657 1.783 1.00 4.14 C ATOM 0 H VAL A 19 1.898 14.627 4.401 1.00 50.32 H new ATOM 0 HA VAL A 19 0.202 13.196 2.688 1.00 53.24 H new ATOM 0 HB VAL A 19 3.241 13.064 2.968 1.00 40.23 H new ATOM 0 HG11 VAL A 19 3.276 12.352 0.584 1.00 2.53 H new ATOM 0 HG12 VAL A 19 2.435 11.178 1.624 1.00 2.53 H new ATOM 0 HG13 VAL A 19 1.497 12.283 0.590 1.00 2.53 H new ATOM 0 HG21 VAL A 19 3.284 14.763 1.143 1.00 4.14 H new ATOM 0 HG22 VAL A 19 1.507 14.850 1.201 1.00 4.14 H new ATOM 0 HG23 VAL A 19 2.470 15.372 2.604 1.00 4.14 H new ATOM 276 N VAL A 20 1.913 11.375 4.880 1.00 71.23 N ATOM 277 CA VAL A 20 2.075 10.066 5.535 1.00 41.05 C ATOM 278 C VAL A 20 0.739 9.568 6.148 1.00 14.24 C ATOM 279 O VAL A 20 0.373 8.404 5.960 1.00 11.35 O ATOM 280 CB VAL A 20 3.216 10.148 6.618 1.00 32.14 C ATOM 281 CG1 VAL A 20 3.340 8.854 7.448 1.00 43.22 C ATOM 282 CG2 VAL A 20 4.564 10.508 5.947 1.00 1.51 C ATOM 0 H VAL A 20 2.494 12.107 5.289 1.00 71.23 H new ATOM 0 HA VAL A 20 2.366 9.334 4.782 1.00 41.05 H new ATOM 0 HB VAL A 20 2.944 10.938 7.317 1.00 32.14 H new ATOM 0 HG11 VAL A 20 4.141 8.966 8.179 1.00 43.22 H new ATOM 0 HG12 VAL A 20 2.400 8.663 7.966 1.00 43.22 H new ATOM 0 HG13 VAL A 20 3.566 8.018 6.787 1.00 43.22 H new ATOM 0 HG21 VAL A 20 5.345 10.562 6.705 1.00 1.51 H new ATOM 0 HG22 VAL A 20 4.822 9.743 5.215 1.00 1.51 H new ATOM 0 HG23 VAL A 20 4.476 11.473 5.448 1.00 1.51 H new ATOM 292 N ALA A 21 -0.003 10.480 6.815 1.00 2.52 N ATOM 293 CA ALA A 21 -1.295 10.154 7.466 1.00 54.21 C ATOM 294 C ALA A 21 -2.374 9.782 6.435 1.00 51.11 C ATOM 295 O ALA A 21 -3.185 8.879 6.682 1.00 25.22 O ATOM 296 CB ALA A 21 -1.785 11.323 8.336 1.00 40.33 C ATOM 0 H ALA A 21 0.273 11.457 6.918 1.00 2.52 H new ATOM 0 HA ALA A 21 -1.120 9.288 8.104 1.00 54.21 H new ATOM 0 HB1 ALA A 21 -2.734 11.057 8.802 1.00 40.33 H new ATOM 0 HB2 ALA A 21 -1.048 11.534 9.110 1.00 40.33 H new ATOM 0 HB3 ALA A 21 -1.921 12.207 7.714 1.00 40.33 H new ATOM 302 N MET A 22 -2.387 10.489 5.282 1.00 30.30 N ATOM 303 CA MET A 22 -3.408 10.253 4.238 1.00 42.33 C ATOM 304 C MET A 22 -3.116 8.970 3.438 1.00 23.34 C ATOM 305 O MET A 22 -4.038 8.353 2.904 1.00 45.33 O ATOM 306 CB MET A 22 -3.601 11.471 3.299 1.00 42.24 C ATOM 307 CG MET A 22 -2.472 11.744 2.297 1.00 62.40 C ATOM 308 SD MET A 22 -2.906 13.019 1.097 1.00 61.02 S ATOM 309 CE MET A 22 -4.381 12.317 0.348 1.00 0.33 C ATOM 0 H MET A 22 -1.711 11.218 5.053 1.00 30.30 H new ATOM 0 HA MET A 22 -4.353 10.113 4.763 1.00 42.33 H new ATOM 0 HB2 MET A 22 -4.526 11.329 2.741 1.00 42.24 H new ATOM 0 HB3 MET A 22 -3.734 12.360 3.915 1.00 42.24 H new ATOM 0 HG2 MET A 22 -1.576 12.049 2.838 1.00 62.40 H new ATOM 0 HG3 MET A 22 -2.228 10.822 1.770 1.00 62.40 H new ATOM 0 HE1 MET A 22 -4.557 12.788 -0.619 1.00 0.33 H new ATOM 0 HE2 MET A 22 -4.244 11.245 0.210 1.00 0.33 H new ATOM 0 HE3 MET A 22 -5.238 12.492 0.998 1.00 0.33 H new ATOM 319 N ILE A 23 -1.829 8.566 3.369 1.00 72.31 N ATOM 320 CA ILE A 23 -1.441 7.245 2.833 1.00 72.10 C ATOM 321 C ILE A 23 -1.988 6.154 3.773 1.00 15.30 C ATOM 322 O ILE A 23 -2.676 5.242 3.325 1.00 1.13 O ATOM 323 CB ILE A 23 0.126 7.083 2.665 1.00 54.31 C ATOM 324 CG1 ILE A 23 0.686 8.122 1.642 1.00 23.30 C ATOM 325 CG2 ILE A 23 0.498 5.640 2.233 1.00 54.01 C ATOM 326 CD1 ILE A 23 2.195 8.127 1.478 1.00 21.14 C ATOM 0 H ILE A 23 -1.042 9.136 3.678 1.00 72.31 H new ATOM 0 HA ILE A 23 -1.869 7.149 1.835 1.00 72.10 H new ATOM 0 HB ILE A 23 0.584 7.274 3.635 1.00 54.31 H new ATOM 0 HG12 ILE A 23 0.233 7.930 0.670 1.00 23.30 H new ATOM 0 HG13 ILE A 23 0.368 9.118 1.951 1.00 23.30 H new ATOM 0 HG21 ILE A 23 1.580 5.560 2.126 1.00 54.01 H new ATOM 0 HG22 ILE A 23 0.155 4.934 2.989 1.00 54.01 H new ATOM 0 HG23 ILE A 23 0.021 5.411 1.280 1.00 54.01 H new ATOM 0 HD11 ILE A 23 2.479 8.883 0.746 1.00 21.14 H new ATOM 0 HD12 ILE A 23 2.664 8.354 2.435 1.00 21.14 H new ATOM 0 HD13 ILE A 23 2.527 7.147 1.134 1.00 21.14 H new ATOM 338 N LYS A 24 -1.724 6.332 5.092 1.00 72.13 N ATOM 339 CA LYS A 24 -2.174 5.411 6.159 1.00 70.31 C ATOM 340 C LYS A 24 -3.695 5.175 6.114 1.00 54.22 C ATOM 341 O LYS A 24 -4.145 4.043 6.269 1.00 41.23 O ATOM 342 CB LYS A 24 -1.780 5.958 7.559 1.00 34.53 C ATOM 343 CG LYS A 24 -0.271 5.942 7.867 1.00 40.10 C ATOM 344 CD LYS A 24 0.036 6.559 9.251 1.00 10.03 C ATOM 345 CE LYS A 24 1.524 6.518 9.599 1.00 0.01 C ATOM 346 NZ LYS A 24 1.829 7.234 10.865 1.00 23.03 N ATOM 0 H LYS A 24 -1.189 7.125 5.444 1.00 72.13 H new ATOM 0 HA LYS A 24 -1.675 4.458 5.984 1.00 70.31 H new ATOM 0 HB2 LYS A 24 -2.142 6.982 7.646 1.00 34.53 H new ATOM 0 HB3 LYS A 24 -2.296 5.372 8.319 1.00 34.53 H new ATOM 0 HG2 LYS A 24 0.096 4.916 7.836 1.00 40.10 H new ATOM 0 HG3 LYS A 24 0.264 6.495 7.095 1.00 40.10 H new ATOM 0 HD2 LYS A 24 -0.308 7.593 9.268 1.00 10.03 H new ATOM 0 HD3 LYS A 24 -0.527 6.023 10.016 1.00 10.03 H new ATOM 0 HE2 LYS A 24 1.846 5.480 9.685 1.00 0.01 H new ATOM 0 HE3 LYS A 24 2.097 6.963 8.786 1.00 0.01 H new ATOM 0 HZ1 LYS A 24 2.849 7.178 11.058 1.00 23.03 H new ATOM 0 HZ2 LYS A 24 1.547 8.231 10.776 1.00 23.03 H new ATOM 0 HZ3 LYS A 24 1.304 6.794 11.648 1.00 23.03 H new ATOM 360 N GLU A 25 -4.471 6.261 5.885 1.00 33.42 N ATOM 361 CA GLU A 25 -5.941 6.188 5.880 1.00 43.03 C ATOM 362 C GLU A 25 -6.440 5.482 4.601 1.00 50.41 C ATOM 363 O GLU A 25 -7.317 4.649 4.693 1.00 1.14 O ATOM 364 CB GLU A 25 -6.604 7.592 6.058 1.00 5.34 C ATOM 365 CG GLU A 25 -6.715 8.453 4.785 1.00 32.43 C ATOM 366 CD GLU A 25 -7.286 9.859 5.038 1.00 24.44 C ATOM 367 OE1 GLU A 25 -6.531 10.756 5.472 1.00 34.43 O ATOM 368 OE2 GLU A 25 -8.496 10.074 4.814 1.00 33.15 O ATOM 0 H GLU A 25 -4.099 7.193 5.702 1.00 33.42 H new ATOM 0 HA GLU A 25 -6.245 5.594 6.742 1.00 43.03 H new ATOM 0 HB2 GLU A 25 -7.605 7.450 6.465 1.00 5.34 H new ATOM 0 HB3 GLU A 25 -6.034 8.149 6.801 1.00 5.34 H new ATOM 0 HG2 GLU A 25 -5.727 8.547 4.333 1.00 32.43 H new ATOM 0 HG3 GLU A 25 -7.348 7.938 4.063 1.00 32.43 H new ATOM 375 N LEU A 26 -5.832 5.794 3.423 1.00 3.23 N ATOM 376 CA LEU A 26 -6.210 5.168 2.125 1.00 71.42 C ATOM 377 C LEU A 26 -5.957 3.648 2.137 1.00 20.13 C ATOM 378 O LEU A 26 -6.689 2.879 1.504 1.00 3.45 O ATOM 379 CB LEU A 26 -5.453 5.847 0.949 1.00 4.33 C ATOM 380 CG LEU A 26 -5.932 7.281 0.563 1.00 14.11 C ATOM 381 CD1 LEU A 26 -5.003 7.913 -0.496 1.00 50.41 C ATOM 382 CD2 LEU A 26 -7.402 7.262 0.084 1.00 34.45 C ATOM 0 H LEU A 26 -5.077 6.476 3.346 1.00 3.23 H new ATOM 0 HA LEU A 26 -7.279 5.321 1.980 1.00 71.42 H new ATOM 0 HB2 LEU A 26 -4.395 5.896 1.205 1.00 4.33 H new ATOM 0 HB3 LEU A 26 -5.540 5.208 0.070 1.00 4.33 H new ATOM 0 HG LEU A 26 -5.882 7.904 1.456 1.00 14.11 H new ATOM 0 HD11 LEU A 26 -5.362 8.912 -0.745 1.00 50.41 H new ATOM 0 HD12 LEU A 26 -3.990 7.980 -0.098 1.00 50.41 H new ATOM 0 HD13 LEU A 26 -5.000 7.294 -1.393 1.00 50.41 H new ATOM 0 HD21 LEU A 26 -7.712 8.273 -0.179 1.00 34.45 H new ATOM 0 HD22 LEU A 26 -7.492 6.616 -0.789 1.00 34.45 H new ATOM 0 HD23 LEU A 26 -8.040 6.883 0.882 1.00 34.45 H new ATOM 394 N LEU A 27 -4.910 3.233 2.872 1.00 55.10 N ATOM 395 CA LEU A 27 -4.624 1.814 3.130 1.00 4.43 C ATOM 396 C LEU A 27 -5.705 1.232 4.053 1.00 31.35 C ATOM 397 O LEU A 27 -6.392 0.287 3.706 1.00 5.03 O ATOM 398 CB LEU A 27 -3.220 1.659 3.779 1.00 20.44 C ATOM 399 CG LEU A 27 -2.024 2.191 2.940 1.00 64.33 C ATOM 400 CD1 LEU A 27 -0.722 2.168 3.756 1.00 43.21 C ATOM 401 CD2 LEU A 27 -1.885 1.418 1.615 1.00 34.32 C ATOM 0 H LEU A 27 -4.241 3.872 3.302 1.00 55.10 H new ATOM 0 HA LEU A 27 -4.629 1.269 2.186 1.00 4.43 H new ATOM 0 HB2 LEU A 27 -3.225 2.176 4.738 1.00 20.44 H new ATOM 0 HB3 LEU A 27 -3.052 0.602 3.988 1.00 20.44 H new ATOM 0 HG LEU A 27 -2.228 3.231 2.685 1.00 64.33 H new ATOM 0 HD11 LEU A 27 0.097 2.545 3.144 1.00 43.21 H new ATOM 0 HD12 LEU A 27 -0.835 2.797 4.639 1.00 43.21 H new ATOM 0 HD13 LEU A 27 -0.504 1.145 4.064 1.00 43.21 H new ATOM 0 HD21 LEU A 27 -1.040 1.813 1.050 1.00 34.32 H new ATOM 0 HD22 LEU A 27 -1.719 0.362 1.826 1.00 34.32 H new ATOM 0 HD23 LEU A 27 -2.798 1.532 1.030 1.00 34.32 H new ATOM 413 N ASP A 28 -5.885 1.893 5.196 1.00 21.12 N ATOM 414 CA ASP A 28 -6.741 1.427 6.309 1.00 44.10 C ATOM 415 C ASP A 28 -8.231 1.329 5.917 1.00 74.04 C ATOM 416 O ASP A 28 -8.968 0.499 6.449 1.00 63.11 O ATOM 417 CB ASP A 28 -6.538 2.378 7.519 1.00 21.20 C ATOM 418 CG ASP A 28 -7.364 2.012 8.762 1.00 55.52 C ATOM 419 OD1 ASP A 28 -6.991 1.051 9.468 1.00 71.43 O ATOM 420 OD2 ASP A 28 -8.373 2.693 9.045 1.00 51.24 O ATOM 0 H ASP A 28 -5.434 2.788 5.387 1.00 21.12 H new ATOM 0 HA ASP A 28 -6.441 0.413 6.575 1.00 44.10 H new ATOM 0 HB2 ASP A 28 -5.482 2.382 7.788 1.00 21.20 H new ATOM 0 HB3 ASP A 28 -6.793 3.393 7.214 1.00 21.20 H new ATOM 425 N THR A 29 -8.657 2.171 4.975 1.00 53.53 N ATOM 426 CA THR A 29 -10.055 2.238 4.525 1.00 25.32 C ATOM 427 C THR A 29 -10.318 1.287 3.338 1.00 32.44 C ATOM 428 O THR A 29 -11.318 0.558 3.329 1.00 45.32 O ATOM 429 CB THR A 29 -10.423 3.703 4.129 1.00 32.31 C ATOM 430 OG1 THR A 29 -9.481 4.187 3.158 1.00 12.53 O ATOM 431 CG2 THR A 29 -10.442 4.639 5.343 1.00 42.43 C ATOM 0 H THR A 29 -8.042 2.830 4.498 1.00 53.53 H new ATOM 0 HA THR A 29 -10.686 1.918 5.354 1.00 25.32 H new ATOM 0 HB THR A 29 -11.428 3.692 3.706 1.00 32.31 H new ATOM 0 HG1 THR A 29 -8.737 4.631 3.617 1.00 12.53 H new ATOM 0 HG21 THR A 29 -10.703 5.647 5.021 1.00 42.43 H new ATOM 0 HG22 THR A 29 -11.180 4.286 6.063 1.00 42.43 H new ATOM 0 HG23 THR A 29 -9.457 4.650 5.809 1.00 42.43 H new ATOM 439 N ARG A 30 -9.427 1.306 2.330 1.00 52.50 N ATOM 440 CA ARG A 30 -9.627 0.557 1.071 1.00 11.10 C ATOM 441 C ARG A 30 -8.849 -0.769 1.081 1.00 11.23 C ATOM 442 O ARG A 30 -9.434 -1.849 0.938 1.00 44.44 O ATOM 443 CB ARG A 30 -9.194 1.422 -0.151 1.00 61.41 C ATOM 444 CG ARG A 30 -9.910 2.785 -0.257 1.00 53.42 C ATOM 445 CD ARG A 30 -9.514 3.591 -1.511 1.00 54.15 C ATOM 446 NE ARG A 30 -9.927 2.921 -2.761 1.00 4.04 N ATOM 447 CZ ARG A 30 -10.272 3.548 -3.906 1.00 4.14 C ATOM 448 NH1 ARG A 30 -10.265 4.879 -3.987 1.00 65.42 N ATOM 449 NH2 ARG A 30 -10.634 2.830 -4.962 1.00 61.13 N ATOM 0 H ARG A 30 -8.555 1.835 2.362 1.00 52.50 H new ATOM 0 HA ARG A 30 -10.689 0.327 0.986 1.00 11.10 H new ATOM 0 HB2 ARG A 30 -8.119 1.594 -0.095 1.00 61.41 H new ATOM 0 HB3 ARG A 30 -9.380 0.857 -1.064 1.00 61.41 H new ATOM 0 HG2 ARG A 30 -10.988 2.621 -0.265 1.00 53.42 H new ATOM 0 HG3 ARG A 30 -9.684 3.375 0.631 1.00 53.42 H new ATOM 0 HD2 ARG A 30 -9.970 4.580 -1.464 1.00 54.15 H new ATOM 0 HD3 ARG A 30 -8.434 3.738 -1.520 1.00 54.15 H new ATOM 0 HE ARG A 30 -9.954 1.901 -2.759 1.00 4.04 H new ATOM 0 HH11 ARG A 30 -9.996 5.438 -3.177 1.00 65.42 H new ATOM 0 HH12 ARG A 30 -10.528 5.338 -4.859 1.00 65.42 H new ATOM 0 HH21 ARG A 30 -10.650 1.812 -4.905 1.00 61.13 H new ATOM 0 HH22 ARG A 30 -10.896 3.297 -5.830 1.00 61.13 H new ATOM 463 N ILE A 31 -7.525 -0.678 1.301 1.00 73.43 N ATOM 464 CA ILE A 31 -6.594 -1.788 1.021 1.00 14.32 C ATOM 465 C ILE A 31 -6.691 -2.875 2.105 1.00 55.14 C ATOM 466 O ILE A 31 -7.086 -3.994 1.791 1.00 10.12 O ATOM 467 CB ILE A 31 -5.113 -1.268 0.876 1.00 51.24 C ATOM 468 CG1 ILE A 31 -5.010 -0.213 -0.268 1.00 11.13 C ATOM 469 CG2 ILE A 31 -4.098 -2.417 0.651 1.00 14.24 C ATOM 470 CD1 ILE A 31 -5.437 -0.697 -1.656 1.00 40.42 C ATOM 0 H ILE A 31 -7.073 0.157 1.674 1.00 73.43 H new ATOM 0 HA ILE A 31 -6.885 -2.233 0.070 1.00 14.32 H new ATOM 0 HB ILE A 31 -4.850 -0.793 1.821 1.00 51.24 H new ATOM 0 HG12 ILE A 31 -5.622 0.648 0.001 1.00 11.13 H new ATOM 0 HG13 ILE A 31 -3.978 0.134 -0.326 1.00 11.13 H new ATOM 0 HG21 ILE A 31 -3.094 -2.003 0.558 1.00 14.24 H new ATOM 0 HG22 ILE A 31 -4.131 -3.102 1.498 1.00 14.24 H new ATOM 0 HG23 ILE A 31 -4.354 -2.955 -0.261 1.00 14.24 H new ATOM 0 HD11 ILE A 31 -5.326 0.115 -2.375 1.00 40.42 H new ATOM 0 HD12 ILE A 31 -4.811 -1.537 -1.957 1.00 40.42 H new ATOM 0 HD13 ILE A 31 -6.479 -1.014 -1.626 1.00 40.42 H new ATOM 482 N ARG A 32 -6.372 -2.511 3.375 1.00 41.22 N ATOM 483 CA ARG A 32 -6.337 -3.456 4.517 1.00 25.42 C ATOM 484 C ARG A 32 -7.614 -4.341 4.625 1.00 54.13 C ATOM 485 O ARG A 32 -7.455 -5.544 4.730 1.00 4.44 O ATOM 486 CB ARG A 32 -6.076 -2.748 5.881 1.00 75.33 C ATOM 487 CG ARG A 32 -4.768 -1.949 5.953 1.00 14.14 C ATOM 488 CD ARG A 32 -4.410 -1.515 7.378 1.00 23.54 C ATOM 489 NE ARG A 32 -3.998 -2.657 8.212 1.00 60.30 N ATOM 490 CZ ARG A 32 -3.960 -2.680 9.560 1.00 4.13 C ATOM 491 NH1 ARG A 32 -4.316 -1.610 10.284 1.00 61.12 N ATOM 492 NH2 ARG A 32 -3.587 -3.790 10.169 1.00 53.25 N ATOM 0 H ARG A 32 -6.132 -1.554 3.633 1.00 41.22 H new ATOM 0 HA ARG A 32 -5.492 -4.110 4.299 1.00 25.42 H new ATOM 0 HB2 ARG A 32 -6.908 -2.075 6.090 1.00 75.33 H new ATOM 0 HB3 ARG A 32 -6.069 -3.501 6.669 1.00 75.33 H new ATOM 0 HG2 ARG A 32 -3.956 -2.554 5.548 1.00 14.14 H new ATOM 0 HG3 ARG A 32 -4.853 -1.065 5.320 1.00 14.14 H new ATOM 0 HD2 ARG A 32 -3.604 -0.782 7.343 1.00 23.54 H new ATOM 0 HD3 ARG A 32 -5.269 -1.023 7.834 1.00 23.54 H new ATOM 0 HE ARG A 32 -3.716 -3.508 7.726 1.00 60.30 H new ATOM 0 HH11 ARG A 32 -4.623 -0.757 9.816 1.00 61.12 H new ATOM 0 HH12 ARG A 32 -4.280 -1.649 11.303 1.00 61.12 H new ATOM 0 HH21 ARG A 32 -3.333 -4.612 9.621 1.00 53.25 H new ATOM 0 HH22 ARG A 32 -3.552 -3.826 11.188 1.00 53.25 H new ATOM 506 N PRO A 33 -8.896 -3.783 4.581 1.00 3.22 N ATOM 507 CA PRO A 33 -10.129 -4.624 4.603 1.00 62.51 C ATOM 508 C PRO A 33 -10.131 -5.707 3.494 1.00 50.30 C ATOM 509 O PRO A 33 -10.375 -6.876 3.776 1.00 63.31 O ATOM 510 CB PRO A 33 -11.283 -3.600 4.419 1.00 14.24 C ATOM 511 CG PRO A 33 -10.723 -2.317 4.948 1.00 23.14 C ATOM 512 CD PRO A 33 -9.266 -2.326 4.548 1.00 4.42 C ATOM 0 HA PRO A 33 -10.218 -5.195 5.527 1.00 62.51 H new ATOM 0 HB2 PRO A 33 -11.570 -3.507 3.372 1.00 14.24 H new ATOM 0 HB3 PRO A 33 -12.175 -3.902 4.968 1.00 14.24 H new ATOM 0 HG2 PRO A 33 -11.242 -1.457 4.525 1.00 23.14 H new ATOM 0 HG3 PRO A 33 -10.834 -2.256 6.031 1.00 23.14 H new ATOM 0 HD2 PRO A 33 -9.121 -1.898 3.556 1.00 4.42 H new ATOM 0 HD3 PRO A 33 -8.657 -1.743 5.239 1.00 4.42 H new ATOM 520 N THR A 34 -9.787 -5.296 2.257 1.00 13.31 N ATOM 521 CA THR A 34 -9.755 -6.179 1.068 1.00 21.12 C ATOM 522 C THR A 34 -8.687 -7.294 1.209 1.00 24.33 C ATOM 523 O THR A 34 -8.948 -8.472 0.908 1.00 41.41 O ATOM 524 CB THR A 34 -9.492 -5.328 -0.223 1.00 2.40 C ATOM 525 OG1 THR A 34 -10.516 -4.329 -0.340 1.00 3.54 O ATOM 526 CG2 THR A 34 -9.465 -6.166 -1.514 1.00 45.13 C ATOM 0 H THR A 34 -9.521 -4.333 2.051 1.00 13.31 H new ATOM 0 HA THR A 34 -10.726 -6.667 0.986 1.00 21.12 H new ATOM 0 HB THR A 34 -8.504 -4.881 -0.112 1.00 2.40 H new ATOM 0 HG1 THR A 34 -10.206 -3.494 0.069 1.00 3.54 H new ATOM 0 HG21 THR A 34 -9.279 -5.514 -2.367 1.00 45.13 H new ATOM 0 HG22 THR A 34 -8.673 -6.912 -1.447 1.00 45.13 H new ATOM 0 HG23 THR A 34 -10.425 -6.667 -1.643 1.00 45.13 H new ATOM 534 N VAL A 35 -7.501 -6.904 1.700 1.00 1.34 N ATOM 535 CA VAL A 35 -6.333 -7.798 1.842 1.00 62.34 C ATOM 536 C VAL A 35 -6.514 -8.775 3.037 1.00 44.12 C ATOM 537 O VAL A 35 -6.068 -9.928 2.978 1.00 0.53 O ATOM 538 CB VAL A 35 -5.013 -6.943 1.973 1.00 31.00 C ATOM 539 CG1 VAL A 35 -3.747 -7.812 2.123 1.00 63.11 C ATOM 540 CG2 VAL A 35 -4.858 -6.002 0.757 1.00 65.41 C ATOM 0 H VAL A 35 -7.320 -5.950 2.014 1.00 1.34 H new ATOM 0 HA VAL A 35 -6.249 -8.412 0.946 1.00 62.34 H new ATOM 0 HB VAL A 35 -5.113 -6.357 2.886 1.00 31.00 H new ATOM 0 HG11 VAL A 35 -2.872 -7.168 2.209 1.00 63.11 H new ATOM 0 HG12 VAL A 35 -3.833 -8.429 3.018 1.00 63.11 H new ATOM 0 HG13 VAL A 35 -3.641 -8.454 1.249 1.00 63.11 H new ATOM 0 HG21 VAL A 35 -3.943 -5.419 0.862 1.00 65.41 H new ATOM 0 HG22 VAL A 35 -4.808 -6.594 -0.157 1.00 65.41 H new ATOM 0 HG23 VAL A 35 -5.713 -5.328 0.707 1.00 65.41 H new ATOM 550 N GLN A 36 -7.218 -8.322 4.092 1.00 53.43 N ATOM 551 CA GLN A 36 -7.532 -9.158 5.278 1.00 42.41 C ATOM 552 C GLN A 36 -8.676 -10.138 4.978 1.00 25.05 C ATOM 553 O GLN A 36 -8.808 -11.159 5.660 1.00 64.24 O ATOM 554 CB GLN A 36 -7.865 -8.279 6.515 1.00 54.20 C ATOM 555 CG GLN A 36 -6.678 -7.434 7.025 1.00 41.33 C ATOM 556 CD GLN A 36 -7.055 -6.477 8.160 1.00 52.15 C ATOM 557 OE1 GLN A 36 -7.935 -6.768 8.968 1.00 32.02 O ATOM 558 NE2 GLN A 36 -6.429 -5.310 8.209 1.00 31.43 N ATOM 0 H GLN A 36 -7.586 -7.372 4.151 1.00 53.43 H new ATOM 0 HA GLN A 36 -6.642 -9.742 5.514 1.00 42.41 H new ATOM 0 HB2 GLN A 36 -8.690 -7.613 6.262 1.00 54.20 H new ATOM 0 HB3 GLN A 36 -8.212 -8.924 7.323 1.00 54.20 H new ATOM 0 HG2 GLN A 36 -5.888 -8.101 7.370 1.00 41.33 H new ATOM 0 HG3 GLN A 36 -6.269 -6.858 6.195 1.00 41.33 H new ATOM 0 HE21 GLN A 36 -5.702 -5.092 7.527 1.00 31.43 H new ATOM 0 HE22 GLN A 36 -6.674 -4.630 8.929 1.00 31.43 H new ATOM 567 N GLU A 37 -9.508 -9.819 3.968 1.00 72.33 N ATOM 568 CA GLU A 37 -10.494 -10.774 3.426 1.00 63.54 C ATOM 569 C GLU A 37 -9.781 -11.769 2.491 1.00 64.34 C ATOM 570 O GLU A 37 -10.186 -12.929 2.383 1.00 31.40 O ATOM 571 CB GLU A 37 -11.649 -10.043 2.680 1.00 2.53 C ATOM 572 CG GLU A 37 -12.524 -9.142 3.575 1.00 23.11 C ATOM 573 CD GLU A 37 -13.192 -9.887 4.752 1.00 53.12 C ATOM 574 OE1 GLU A 37 -14.234 -10.544 4.537 1.00 71.13 O ATOM 575 OE2 GLU A 37 -12.673 -9.833 5.889 1.00 21.32 O ATOM 0 H GLU A 37 -9.517 -8.907 3.511 1.00 72.33 H new ATOM 0 HA GLU A 37 -10.944 -11.318 4.257 1.00 63.54 H new ATOM 0 HB2 GLU A 37 -11.221 -9.435 1.883 1.00 2.53 H new ATOM 0 HB3 GLU A 37 -12.286 -10.789 2.205 1.00 2.53 H new ATOM 0 HG2 GLU A 37 -11.909 -8.334 3.972 1.00 23.11 H new ATOM 0 HG3 GLU A 37 -13.299 -8.682 2.963 1.00 23.11 H new ATOM 582 N ASP A 38 -8.703 -11.291 1.828 1.00 41.15 N ATOM 583 CA ASP A 38 -7.872 -12.116 0.923 1.00 62.32 C ATOM 584 C ASP A 38 -7.015 -13.114 1.736 1.00 43.32 C ATOM 585 O ASP A 38 -6.633 -14.170 1.227 1.00 71.22 O ATOM 586 CB ASP A 38 -6.957 -11.191 0.057 1.00 51.44 C ATOM 587 CG ASP A 38 -6.245 -11.914 -1.109 1.00 71.33 C ATOM 588 OD1 ASP A 38 -5.136 -12.464 -0.924 1.00 53.42 O ATOM 589 OD2 ASP A 38 -6.798 -11.924 -2.228 1.00 44.11 O ATOM 0 H ASP A 38 -8.386 -10.325 1.905 1.00 41.15 H new ATOM 0 HA ASP A 38 -8.526 -12.686 0.263 1.00 62.32 H new ATOM 0 HB2 ASP A 38 -7.561 -10.379 -0.349 1.00 51.44 H new ATOM 0 HB3 ASP A 38 -6.204 -10.737 0.702 1.00 51.44 H new ATOM 594 N GLY A 39 -6.752 -12.776 3.017 1.00 35.50 N ATOM 595 CA GLY A 39 -6.062 -13.672 3.955 1.00 20.05 C ATOM 596 C GLY A 39 -4.833 -13.042 4.601 1.00 33.32 C ATOM 597 O GLY A 39 -4.361 -13.526 5.641 1.00 41.11 O ATOM 0 H GLY A 39 -7.013 -11.877 3.423 1.00 35.50 H new ATOM 0 HA2 GLY A 39 -6.759 -13.975 4.736 1.00 20.05 H new ATOM 0 HA3 GLY A 39 -5.762 -14.577 3.427 1.00 20.05 H new ATOM 601 N GLY A 40 -4.299 -11.978 3.974 1.00 63.32 N ATOM 602 CA GLY A 40 -3.095 -11.287 4.460 1.00 11.13 C ATOM 603 C GLY A 40 -3.398 -9.971 5.159 1.00 64.31 C ATOM 604 O GLY A 40 -4.417 -9.853 5.839 1.00 55.35 O ATOM 0 H GLY A 40 -4.689 -11.576 3.121 1.00 63.32 H new ATOM 0 HA2 GLY A 40 -2.562 -11.942 5.149 1.00 11.13 H new ATOM 0 HA3 GLY A 40 -2.428 -11.098 3.619 1.00 11.13 H new ATOM 608 N ASP A 41 -2.485 -8.996 5.000 1.00 22.41 N ATOM 609 CA ASP A 41 -2.608 -7.630 5.538 1.00 42.02 C ATOM 610 C ASP A 41 -1.458 -6.774 4.980 1.00 72.23 C ATOM 611 O ASP A 41 -0.463 -7.308 4.463 1.00 44.53 O ATOM 612 CB ASP A 41 -2.607 -7.626 7.103 1.00 11.24 C ATOM 613 CG ASP A 41 -2.810 -6.228 7.722 1.00 21.42 C ATOM 614 OD1 ASP A 41 -3.719 -5.501 7.270 1.00 51.52 O ATOM 615 OD2 ASP A 41 -2.069 -5.845 8.642 1.00 50.03 O ATOM 0 H ASP A 41 -1.619 -9.140 4.480 1.00 22.41 H new ATOM 0 HA ASP A 41 -3.563 -7.207 5.226 1.00 42.02 H new ATOM 0 HB2 ASP A 41 -3.396 -8.289 7.459 1.00 11.24 H new ATOM 0 HB3 ASP A 41 -1.661 -8.036 7.458 1.00 11.24 H new ATOM 620 N VAL A 42 -1.614 -5.441 5.055 1.00 3.32 N ATOM 621 CA VAL A 42 -0.555 -4.480 4.711 1.00 24.10 C ATOM 622 C VAL A 42 -0.265 -3.616 5.963 1.00 23.14 C ATOM 623 O VAL A 42 -1.179 -3.023 6.555 1.00 12.15 O ATOM 624 CB VAL A 42 -0.918 -3.590 3.444 1.00 40.24 C ATOM 625 CG1 VAL A 42 -1.196 -4.478 2.208 1.00 43.40 C ATOM 626 CG2 VAL A 42 -2.102 -2.637 3.698 1.00 75.01 C ATOM 0 H VAL A 42 -2.482 -4.999 5.357 1.00 3.32 H new ATOM 0 HA VAL A 42 0.342 -5.027 4.421 1.00 24.10 H new ATOM 0 HB VAL A 42 -0.046 -2.966 3.247 1.00 40.24 H new ATOM 0 HG11 VAL A 42 -1.442 -3.847 1.354 1.00 43.40 H new ATOM 0 HG12 VAL A 42 -0.310 -5.070 1.978 1.00 43.40 H new ATOM 0 HG13 VAL A 42 -2.032 -5.144 2.419 1.00 43.40 H new ATOM 0 HG21 VAL A 42 -2.302 -2.057 2.797 1.00 75.01 H new ATOM 0 HG22 VAL A 42 -2.987 -3.218 3.959 1.00 75.01 H new ATOM 0 HG23 VAL A 42 -1.856 -1.962 4.518 1.00 75.01 H new ATOM 636 N ILE A 43 0.994 -3.630 6.421 1.00 2.53 N ATOM 637 CA ILE A 43 1.449 -2.827 7.570 1.00 62.11 C ATOM 638 C ILE A 43 2.301 -1.678 7.016 1.00 34.41 C ATOM 639 O ILE A 43 3.264 -1.933 6.290 1.00 44.11 O ATOM 640 CB ILE A 43 2.294 -3.670 8.622 1.00 52.12 C ATOM 641 CG1 ILE A 43 1.476 -4.875 9.223 1.00 60.41 C ATOM 642 CG2 ILE A 43 2.844 -2.765 9.759 1.00 2.51 C ATOM 643 CD1 ILE A 43 1.310 -6.084 8.305 1.00 4.10 C ATOM 0 H ILE A 43 1.730 -4.200 6.005 1.00 2.53 H new ATOM 0 HA ILE A 43 0.575 -2.461 8.109 1.00 62.11 H new ATOM 0 HB ILE A 43 3.137 -4.091 8.075 1.00 52.12 H new ATOM 0 HG12 ILE A 43 1.967 -5.202 10.140 1.00 60.41 H new ATOM 0 HG13 ILE A 43 0.486 -4.515 9.502 1.00 60.41 H new ATOM 0 HG21 ILE A 43 3.417 -3.371 10.461 1.00 2.51 H new ATOM 0 HG22 ILE A 43 3.489 -1.997 9.333 1.00 2.51 H new ATOM 0 HG23 ILE A 43 2.013 -2.292 10.282 1.00 2.51 H new ATOM 0 HD11 ILE A 43 0.732 -6.853 8.817 1.00 4.10 H new ATOM 0 HD12 ILE A 43 0.788 -5.782 7.397 1.00 4.10 H new ATOM 0 HD13 ILE A 43 2.291 -6.480 8.044 1.00 4.10 H new ATOM 655 N TYR A 44 1.928 -0.421 7.327 1.00 23.04 N ATOM 656 CA TYR A 44 2.678 0.754 6.865 1.00 54.42 C ATOM 657 C TYR A 44 4.057 0.787 7.549 1.00 62.13 C ATOM 658 O TYR A 44 4.142 0.802 8.784 1.00 43.22 O ATOM 659 CB TYR A 44 1.884 2.059 7.133 1.00 62.54 C ATOM 660 CG TYR A 44 2.540 3.325 6.552 1.00 62.45 C ATOM 661 CD1 TYR A 44 2.428 3.627 5.195 1.00 44.05 C ATOM 662 CD2 TYR A 44 3.274 4.210 7.352 1.00 14.45 C ATOM 663 CE1 TYR A 44 3.013 4.754 4.660 1.00 54.10 C ATOM 664 CE2 TYR A 44 3.857 5.336 6.816 1.00 30.32 C ATOM 665 CZ TYR A 44 3.721 5.603 5.472 1.00 75.20 C ATOM 666 OH TYR A 44 4.296 6.731 4.948 1.00 14.52 O ATOM 0 H TYR A 44 1.112 -0.198 7.896 1.00 23.04 H new ATOM 0 HA TYR A 44 2.825 0.681 5.787 1.00 54.42 H new ATOM 0 HB2 TYR A 44 0.884 1.956 6.713 1.00 62.54 H new ATOM 0 HB3 TYR A 44 1.766 2.185 8.209 1.00 62.54 H new ATOM 0 HD1 TYR A 44 1.871 2.964 4.550 1.00 44.05 H new ATOM 0 HD2 TYR A 44 3.384 4.006 8.407 1.00 14.45 H new ATOM 0 HE1 TYR A 44 2.915 4.968 3.606 1.00 54.10 H new ATOM 0 HE2 TYR A 44 4.419 6.008 7.448 1.00 30.32 H new ATOM 0 HH TYR A 44 3.765 7.046 4.187 1.00 14.52 H new ATOM 676 N LYS A 45 5.127 0.741 6.739 1.00 44.24 N ATOM 677 CA LYS A 45 6.517 0.646 7.228 1.00 21.34 C ATOM 678 C LYS A 45 7.286 1.961 7.001 1.00 21.22 C ATOM 679 O LYS A 45 8.016 2.412 7.895 1.00 4.23 O ATOM 680 CB LYS A 45 7.240 -0.529 6.515 1.00 62.22 C ATOM 681 CG LYS A 45 6.532 -1.907 6.634 1.00 64.55 C ATOM 682 CD LYS A 45 6.910 -2.760 7.873 1.00 4.35 C ATOM 683 CE LYS A 45 6.363 -2.271 9.228 1.00 21.30 C ATOM 684 NZ LYS A 45 7.213 -1.219 9.857 1.00 14.32 N ATOM 0 H LYS A 45 5.055 0.769 5.722 1.00 44.24 H new ATOM 0 HA LYS A 45 6.490 0.461 8.302 1.00 21.34 H new ATOM 0 HB2 LYS A 45 7.346 -0.282 5.459 1.00 62.22 H new ATOM 0 HB3 LYS A 45 8.246 -0.618 6.924 1.00 62.22 H new ATOM 0 HG2 LYS A 45 5.455 -1.740 6.647 1.00 64.55 H new ATOM 0 HG3 LYS A 45 6.754 -2.486 5.737 1.00 64.55 H new ATOM 0 HD2 LYS A 45 6.557 -3.778 7.708 1.00 4.35 H new ATOM 0 HD3 LYS A 45 7.997 -2.806 7.939 1.00 4.35 H new ATOM 0 HE2 LYS A 45 5.356 -1.879 9.086 1.00 21.30 H new ATOM 0 HE3 LYS A 45 6.282 -3.119 9.908 1.00 21.30 H new ATOM 0 HZ1 LYS A 45 7.700 -1.616 10.686 1.00 14.32 H new ATOM 0 HZ2 LYS A 45 7.917 -0.884 9.169 1.00 14.32 H new ATOM 0 HZ3 LYS A 45 6.615 -0.422 10.156 1.00 14.32 H new ATOM 698 N GLY A 46 7.127 2.571 5.803 1.00 4.11 N ATOM 699 CA GLY A 46 7.896 3.770 5.446 1.00 1.33 C ATOM 700 C GLY A 46 7.393 4.489 4.200 1.00 62.41 C ATOM 701 O GLY A 46 6.419 4.066 3.570 1.00 51.13 O ATOM 0 H GLY A 46 6.481 2.252 5.081 1.00 4.11 H new ATOM 0 HA2 GLY A 46 7.875 4.465 6.286 1.00 1.33 H new ATOM 0 HA3 GLY A 46 8.937 3.487 5.293 1.00 1.33 H new ATOM 705 N PHE A 47 8.079 5.603 3.878 1.00 20.22 N ATOM 706 CA PHE A 47 7.831 6.429 2.684 1.00 12.22 C ATOM 707 C PHE A 47 9.113 7.226 2.383 1.00 33.21 C ATOM 708 O PHE A 47 9.506 8.086 3.175 1.00 15.44 O ATOM 709 CB PHE A 47 6.629 7.381 2.937 1.00 54.13 C ATOM 710 CG PHE A 47 6.276 8.332 1.795 1.00 71.14 C ATOM 711 CD1 PHE A 47 5.724 7.844 0.616 1.00 5.43 C ATOM 712 CD2 PHE A 47 6.467 9.713 1.909 1.00 73.12 C ATOM 713 CE1 PHE A 47 5.377 8.697 -0.413 1.00 43.32 C ATOM 714 CE2 PHE A 47 6.118 10.566 0.878 1.00 40.55 C ATOM 715 CZ PHE A 47 5.570 10.057 -0.283 1.00 30.34 C ATOM 0 H PHE A 47 8.839 5.961 4.456 1.00 20.22 H new ATOM 0 HA PHE A 47 7.580 5.802 1.828 1.00 12.22 H new ATOM 0 HB2 PHE A 47 5.752 6.774 3.162 1.00 54.13 H new ATOM 0 HB3 PHE A 47 6.843 7.975 3.825 1.00 54.13 H new ATOM 0 HD1 PHE A 47 5.564 6.782 0.503 1.00 5.43 H new ATOM 0 HD2 PHE A 47 6.893 10.119 2.815 1.00 73.12 H new ATOM 0 HE1 PHE A 47 4.953 8.298 -1.323 1.00 43.32 H new ATOM 0 HE2 PHE A 47 6.274 11.630 0.981 1.00 40.55 H new ATOM 0 HZ PHE A 47 5.293 10.722 -1.088 1.00 30.34 H new ATOM 725 N GLU A 48 9.776 6.924 1.256 1.00 63.23 N ATOM 726 CA GLU A 48 11.052 7.573 0.881 1.00 21.03 C ATOM 727 C GLU A 48 10.946 8.153 -0.534 1.00 2.14 C ATOM 728 O GLU A 48 10.950 7.394 -1.512 1.00 35.21 O ATOM 729 CB GLU A 48 12.230 6.562 0.955 1.00 41.53 C ATOM 730 CG GLU A 48 12.346 5.818 2.294 1.00 54.33 C ATOM 731 CD GLU A 48 13.634 4.998 2.424 1.00 10.40 C ATOM 732 OE1 GLU A 48 13.809 4.015 1.669 1.00 50.15 O ATOM 733 OE2 GLU A 48 14.497 5.348 3.253 1.00 63.24 O ATOM 0 H GLU A 48 9.451 6.231 0.582 1.00 63.23 H new ATOM 0 HA GLU A 48 11.249 8.380 1.587 1.00 21.03 H new ATOM 0 HB2 GLU A 48 12.115 5.830 0.156 1.00 41.53 H new ATOM 0 HB3 GLU A 48 13.162 7.095 0.768 1.00 41.53 H new ATOM 0 HG2 GLU A 48 12.301 6.541 3.108 1.00 54.33 H new ATOM 0 HG3 GLU A 48 11.489 5.155 2.408 1.00 54.33 H new ATOM 740 N ASP A 49 10.804 9.499 -0.622 1.00 42.43 N ATOM 741 CA ASP A 49 10.844 10.267 -1.894 1.00 61.22 C ATOM 742 C ASP A 49 9.673 9.925 -2.838 1.00 10.34 C ATOM 743 O ASP A 49 9.657 10.366 -3.992 1.00 72.21 O ATOM 744 CB ASP A 49 12.209 10.062 -2.620 1.00 10.30 C ATOM 745 CG ASP A 49 13.415 10.564 -1.808 1.00 20.53 C ATOM 746 OD1 ASP A 49 13.866 9.853 -0.888 1.00 34.44 O ATOM 747 OD2 ASP A 49 13.920 11.670 -2.083 1.00 1.54 O ATOM 0 H ASP A 49 10.657 10.089 0.197 1.00 42.43 H new ATOM 0 HA ASP A 49 10.736 11.318 -1.626 1.00 61.22 H new ATOM 0 HB2 ASP A 49 12.342 9.002 -2.836 1.00 10.30 H new ATOM 0 HB3 ASP A 49 12.184 10.581 -3.578 1.00 10.30 H new ATOM 752 N GLY A 50 8.681 9.173 -2.331 1.00 15.01 N ATOM 753 CA GLY A 50 7.559 8.711 -3.138 1.00 24.14 C ATOM 754 C GLY A 50 7.337 7.212 -3.069 1.00 71.03 C ATOM 755 O GLY A 50 6.262 6.726 -3.442 1.00 4.44 O ATOM 0 H GLY A 50 8.642 8.875 -1.356 1.00 15.01 H new ATOM 0 HA2 GLY A 50 6.653 9.219 -2.810 1.00 24.14 H new ATOM 0 HA3 GLY A 50 7.727 8.997 -4.176 1.00 24.14 H new ATOM 759 N ILE A 51 8.349 6.468 -2.601 1.00 10.15 N ATOM 760 CA ILE A 51 8.282 5.002 -2.504 1.00 73.51 C ATOM 761 C ILE A 51 7.649 4.609 -1.157 1.00 43.02 C ATOM 762 O ILE A 51 8.300 4.664 -0.106 1.00 42.21 O ATOM 763 CB ILE A 51 9.712 4.347 -2.675 1.00 15.44 C ATOM 764 CG1 ILE A 51 10.380 4.816 -4.012 1.00 15.42 C ATOM 765 CG2 ILE A 51 9.655 2.796 -2.596 1.00 73.13 C ATOM 766 CD1 ILE A 51 9.563 4.561 -5.270 1.00 13.32 C ATOM 0 H ILE A 51 9.233 6.863 -2.280 1.00 10.15 H new ATOM 0 HA ILE A 51 7.660 4.623 -3.315 1.00 73.51 H new ATOM 0 HB ILE A 51 10.328 4.688 -1.843 1.00 15.44 H new ATOM 0 HG12 ILE A 51 10.585 5.884 -3.942 1.00 15.42 H new ATOM 0 HG13 ILE A 51 11.342 4.313 -4.115 1.00 15.42 H new ATOM 0 HG21 ILE A 51 10.658 2.388 -2.718 1.00 73.13 H new ATOM 0 HG22 ILE A 51 9.257 2.495 -1.627 1.00 73.13 H new ATOM 0 HG23 ILE A 51 9.010 2.415 -3.387 1.00 73.13 H new ATOM 0 HD11 ILE A 51 10.112 4.921 -6.140 1.00 13.32 H new ATOM 0 HD12 ILE A 51 9.380 3.492 -5.374 1.00 13.32 H new ATOM 0 HD13 ILE A 51 8.611 5.087 -5.198 1.00 13.32 H new ATOM 778 N VAL A 52 6.359 4.245 -1.220 1.00 72.13 N ATOM 779 CA VAL A 52 5.572 3.792 -0.068 1.00 14.55 C ATOM 780 C VAL A 52 5.931 2.331 0.220 1.00 20.45 C ATOM 781 O VAL A 52 5.700 1.460 -0.608 1.00 55.34 O ATOM 782 CB VAL A 52 4.024 3.904 -0.337 1.00 2.34 C ATOM 783 CG1 VAL A 52 3.203 3.480 0.906 1.00 2.21 C ATOM 784 CG2 VAL A 52 3.644 5.326 -0.799 1.00 42.34 C ATOM 0 H VAL A 52 5.826 4.258 -2.090 1.00 72.13 H new ATOM 0 HA VAL A 52 5.807 4.429 0.785 1.00 14.55 H new ATOM 0 HB VAL A 52 3.777 3.214 -1.143 1.00 2.34 H new ATOM 0 HG11 VAL A 52 2.139 3.569 0.687 1.00 2.21 H new ATOM 0 HG12 VAL A 52 3.436 2.446 1.160 1.00 2.21 H new ATOM 0 HG13 VAL A 52 3.456 4.126 1.747 1.00 2.21 H new ATOM 0 HG21 VAL A 52 2.570 5.376 -0.978 1.00 42.34 H new ATOM 0 HG22 VAL A 52 3.917 6.045 -0.026 1.00 42.34 H new ATOM 0 HG23 VAL A 52 4.176 5.564 -1.720 1.00 42.34 H new ATOM 794 N GLN A 53 6.507 2.065 1.381 1.00 64.14 N ATOM 795 CA GLN A 53 6.998 0.725 1.734 1.00 40.32 C ATOM 796 C GLN A 53 6.047 0.073 2.736 1.00 40.33 C ATOM 797 O GLN A 53 5.790 0.622 3.811 1.00 3.30 O ATOM 798 CB GLN A 53 8.460 0.844 2.232 1.00 65.45 C ATOM 799 CG GLN A 53 9.455 1.067 1.070 1.00 2.33 C ATOM 800 CD GLN A 53 10.826 1.553 1.513 1.00 74.20 C ATOM 801 OE1 GLN A 53 11.724 0.766 1.819 1.00 35.02 O ATOM 802 NE2 GLN A 53 10.997 2.863 1.536 1.00 53.41 N ATOM 0 H GLN A 53 6.651 2.764 2.110 1.00 64.14 H new ATOM 0 HA GLN A 53 7.013 0.065 0.867 1.00 40.32 H new ATOM 0 HB2 GLN A 53 8.536 1.672 2.937 1.00 65.45 H new ATOM 0 HB3 GLN A 53 8.733 -0.062 2.773 1.00 65.45 H new ATOM 0 HG2 GLN A 53 9.572 0.132 0.521 1.00 2.33 H new ATOM 0 HG3 GLN A 53 9.031 1.793 0.376 1.00 2.33 H new ATOM 0 HE21 GLN A 53 10.229 3.482 1.276 1.00 53.41 H new ATOM 0 HE22 GLN A 53 11.897 3.255 1.814 1.00 53.41 H new ATOM 811 N LEU A 54 5.487 -1.083 2.332 1.00 4.51 N ATOM 812 CA LEU A 54 4.446 -1.814 3.069 1.00 10.34 C ATOM 813 C LEU A 54 4.878 -3.265 3.277 1.00 71.21 C ATOM 814 O LEU A 54 5.485 -3.875 2.387 1.00 74.14 O ATOM 815 CB LEU A 54 3.109 -1.805 2.270 1.00 64.50 C ATOM 816 CG LEU A 54 2.525 -0.410 1.912 1.00 54.30 C ATOM 817 CD1 LEU A 54 1.226 -0.549 1.105 1.00 12.34 C ATOM 818 CD2 LEU A 54 2.309 0.450 3.169 1.00 64.51 C ATOM 0 H LEU A 54 5.755 -1.543 1.462 1.00 4.51 H new ATOM 0 HA LEU A 54 4.301 -1.324 4.032 1.00 10.34 H new ATOM 0 HB2 LEU A 54 3.261 -2.359 1.344 1.00 64.50 H new ATOM 0 HB3 LEU A 54 2.362 -2.349 2.848 1.00 64.50 H new ATOM 0 HG LEU A 54 3.256 0.104 1.287 1.00 54.30 H new ATOM 0 HD11 LEU A 54 0.838 0.441 0.867 1.00 12.34 H new ATOM 0 HD12 LEU A 54 1.428 -1.091 0.181 1.00 12.34 H new ATOM 0 HD13 LEU A 54 0.489 -1.096 1.693 1.00 12.34 H new ATOM 0 HD21 LEU A 54 1.900 1.418 2.881 1.00 64.51 H new ATOM 0 HD22 LEU A 54 1.612 -0.054 3.839 1.00 64.51 H new ATOM 0 HD23 LEU A 54 3.262 0.595 3.678 1.00 64.51 H new ATOM 830 N LYS A 55 4.524 -3.822 4.439 1.00 23.54 N ATOM 831 CA LYS A 55 4.743 -5.229 4.740 1.00 73.31 C ATOM 832 C LYS A 55 3.539 -6.015 4.223 1.00 51.30 C ATOM 833 O LYS A 55 2.447 -5.942 4.795 1.00 64.33 O ATOM 834 CB LYS A 55 4.927 -5.426 6.266 1.00 52.22 C ATOM 835 CG LYS A 55 5.193 -6.881 6.714 1.00 73.03 C ATOM 836 CD LYS A 55 5.380 -7.004 8.243 1.00 3.22 C ATOM 837 CE LYS A 55 5.577 -8.450 8.709 1.00 62.32 C ATOM 838 NZ LYS A 55 5.711 -8.528 10.189 1.00 2.13 N ATOM 0 H LYS A 55 4.077 -3.304 5.195 1.00 23.54 H new ATOM 0 HA LYS A 55 5.650 -5.589 4.254 1.00 73.31 H new ATOM 0 HB2 LYS A 55 5.757 -4.803 6.599 1.00 52.22 H new ATOM 0 HB3 LYS A 55 4.033 -5.064 6.773 1.00 52.22 H new ATOM 0 HG2 LYS A 55 4.361 -7.512 6.401 1.00 73.03 H new ATOM 0 HG3 LYS A 55 6.084 -7.256 6.211 1.00 73.03 H new ATOM 0 HD2 LYS A 55 6.242 -6.410 8.547 1.00 3.22 H new ATOM 0 HD3 LYS A 55 4.509 -6.582 8.745 1.00 3.22 H new ATOM 0 HE2 LYS A 55 4.731 -9.057 8.386 1.00 62.32 H new ATOM 0 HE3 LYS A 55 6.467 -8.868 8.239 1.00 62.32 H new ATOM 0 HZ1 LYS A 55 5.521 -9.501 10.504 1.00 2.13 H new ATOM 0 HZ2 LYS A 55 6.676 -8.257 10.465 1.00 2.13 H new ATOM 0 HZ3 LYS A 55 5.029 -7.881 10.634 1.00 2.13 H new ATOM 852 N LEU A 56 3.739 -6.730 3.112 1.00 74.51 N ATOM 853 CA LEU A 56 2.698 -7.580 2.520 1.00 10.41 C ATOM 854 C LEU A 56 2.775 -8.957 3.201 1.00 52.22 C ATOM 855 O LEU A 56 3.853 -9.562 3.240 1.00 21.21 O ATOM 856 CB LEU A 56 2.883 -7.701 0.977 1.00 52.45 C ATOM 857 CG LEU A 56 2.997 -6.366 0.165 1.00 41.14 C ATOM 858 CD1 LEU A 56 3.074 -6.638 -1.350 1.00 75.22 C ATOM 859 CD2 LEU A 56 1.863 -5.380 0.492 1.00 31.31 C ATOM 0 H LEU A 56 4.621 -6.737 2.599 1.00 74.51 H new ATOM 0 HA LEU A 56 1.715 -7.138 2.681 1.00 10.41 H new ATOM 0 HB2 LEU A 56 3.781 -8.289 0.789 1.00 52.45 H new ATOM 0 HB3 LEU A 56 2.042 -8.268 0.579 1.00 52.45 H new ATOM 0 HG LEU A 56 3.928 -5.891 0.474 1.00 41.14 H new ATOM 0 HD11 LEU A 56 3.152 -5.692 -1.886 1.00 75.22 H new ATOM 0 HD12 LEU A 56 3.949 -7.251 -1.566 1.00 75.22 H new ATOM 0 HD13 LEU A 56 2.175 -7.164 -1.671 1.00 75.22 H new ATOM 0 HD21 LEU A 56 1.989 -4.472 -0.097 1.00 31.31 H new ATOM 0 HD22 LEU A 56 0.903 -5.837 0.253 1.00 31.31 H new ATOM 0 HD23 LEU A 56 1.892 -5.131 1.553 1.00 31.31 H new ATOM 871 N GLN A 57 1.641 -9.429 3.738 1.00 34.24 N ATOM 872 CA GLN A 57 1.571 -10.690 4.515 1.00 14.21 C ATOM 873 C GLN A 57 1.169 -11.876 3.616 1.00 20.43 C ATOM 874 O GLN A 57 0.715 -11.673 2.481 1.00 15.01 O ATOM 875 CB GLN A 57 0.556 -10.533 5.673 1.00 43.42 C ATOM 876 CG GLN A 57 0.934 -9.462 6.719 1.00 32.24 C ATOM 877 CD GLN A 57 2.162 -9.802 7.585 1.00 14.24 C ATOM 878 OE1 GLN A 57 3.103 -10.473 7.166 1.00 44.23 O ATOM 879 NE2 GLN A 57 2.153 -9.336 8.821 1.00 12.41 N ATOM 0 H GLN A 57 0.743 -8.953 3.650 1.00 34.24 H new ATOM 0 HA GLN A 57 2.560 -10.898 4.923 1.00 14.21 H new ATOM 0 HB2 GLN A 57 -0.418 -10.284 5.253 1.00 43.42 H new ATOM 0 HB3 GLN A 57 0.449 -11.493 6.178 1.00 43.42 H new ATOM 0 HG2 GLN A 57 1.122 -8.521 6.202 1.00 32.24 H new ATOM 0 HG3 GLN A 57 0.079 -9.299 7.375 1.00 32.24 H new ATOM 0 HE21 GLN A 57 1.363 -8.781 9.151 1.00 12.41 H new ATOM 0 HE22 GLN A 57 2.936 -9.531 9.445 1.00 12.41 H new ATOM 888 N GLY A 58 1.321 -13.109 4.169 1.00 43.31 N ATOM 889 CA GLY A 58 1.020 -14.361 3.453 1.00 5.50 C ATOM 890 C GLY A 58 -0.422 -14.454 2.940 1.00 64.22 C ATOM 891 O GLY A 58 -1.294 -13.721 3.416 1.00 1.02 O ATOM 0 H GLY A 58 1.655 -13.254 5.122 1.00 43.31 H new ATOM 0 HA2 GLY A 58 1.702 -14.458 2.608 1.00 5.50 H new ATOM 0 HA3 GLY A 58 1.214 -15.203 4.117 1.00 5.50 H new ATOM 895 N SER A 59 -0.643 -15.374 1.970 1.00 5.52 N ATOM 896 CA SER A 59 -1.908 -15.545 1.199 1.00 60.35 C ATOM 897 C SER A 59 -2.040 -14.480 0.092 1.00 5.31 C ATOM 898 O SER A 59 -2.458 -14.793 -1.027 1.00 2.43 O ATOM 899 CB SER A 59 -3.180 -15.567 2.095 1.00 65.51 C ATOM 900 OG SER A 59 -4.357 -15.834 1.352 1.00 44.21 O ATOM 0 H SER A 59 0.075 -16.042 1.690 1.00 5.52 H new ATOM 0 HA SER A 59 -1.840 -16.528 0.733 1.00 60.35 H new ATOM 0 HB2 SER A 59 -3.063 -16.324 2.870 1.00 65.51 H new ATOM 0 HB3 SER A 59 -3.282 -14.607 2.601 1.00 65.51 H new ATOM 0 HG SER A 59 -4.990 -15.094 1.465 1.00 44.21 H new ATOM 906 N CYS A 60 -1.685 -13.226 0.409 1.00 11.33 N ATOM 907 CA CYS A 60 -1.685 -12.114 -0.554 1.00 22.52 C ATOM 908 C CYS A 60 -0.364 -12.053 -1.350 1.00 42.33 C ATOM 909 O CYS A 60 -0.276 -11.361 -2.372 1.00 44.10 O ATOM 910 CB CYS A 60 -1.941 -10.806 0.209 1.00 71.35 C ATOM 911 SG CYS A 60 -3.447 -10.864 1.198 1.00 0.15 S ATOM 0 H CYS A 60 -1.388 -12.953 1.346 1.00 11.33 H new ATOM 0 HA CYS A 60 -2.478 -12.270 -1.286 1.00 22.52 H new ATOM 0 HB2 CYS A 60 -1.092 -10.597 0.859 1.00 71.35 H new ATOM 0 HB3 CYS A 60 -2.009 -9.982 -0.502 1.00 71.35 H new ATOM 0 HG CYS A 60 -4.324 -11.622 0.609 1.00 0.15 H new ATOM 917 N THR A 61 0.647 -12.800 -0.874 1.00 53.11 N ATOM 918 CA THR A 61 1.997 -12.836 -1.458 1.00 14.23 C ATOM 919 C THR A 61 2.264 -14.155 -2.202 1.00 51.31 C ATOM 920 O THR A 61 3.429 -14.536 -2.390 1.00 22.30 O ATOM 921 CB THR A 61 3.054 -12.636 -0.324 1.00 4.15 C ATOM 922 OG1 THR A 61 2.790 -13.559 0.754 1.00 50.23 O ATOM 923 CG2 THR A 61 3.031 -11.197 0.206 1.00 54.13 C ATOM 0 H THR A 61 0.546 -13.405 -0.059 1.00 53.11 H new ATOM 0 HA THR A 61 2.074 -12.030 -2.188 1.00 14.23 H new ATOM 0 HB THR A 61 4.043 -12.829 -0.739 1.00 4.15 H new ATOM 0 HG1 THR A 61 3.455 -13.433 1.463 1.00 50.23 H new ATOM 0 HG21 THR A 61 3.776 -11.087 0.994 1.00 54.13 H new ATOM 0 HG22 THR A 61 3.257 -10.506 -0.606 1.00 54.13 H new ATOM 0 HG23 THR A 61 2.043 -10.973 0.608 1.00 54.13 H new ATOM 931 N SER A 62 1.182 -14.817 -2.660 1.00 1.11 N ATOM 932 CA SER A 62 1.274 -16.098 -3.379 1.00 72.14 C ATOM 933 C SER A 62 1.954 -15.895 -4.753 1.00 63.13 C ATOM 934 O SER A 62 1.286 -15.529 -5.729 1.00 52.31 O ATOM 935 CB SER A 62 -0.133 -16.718 -3.531 1.00 74.45 C ATOM 936 OG SER A 62 -0.782 -16.837 -2.272 1.00 2.30 O ATOM 0 H SER A 62 0.227 -14.479 -2.541 1.00 1.11 H new ATOM 0 HA SER A 62 1.889 -16.790 -2.804 1.00 72.14 H new ATOM 0 HB2 SER A 62 -0.736 -16.100 -4.196 1.00 74.45 H new ATOM 0 HB3 SER A 62 -0.052 -17.701 -3.995 1.00 74.45 H new ATOM 0 HG SER A 62 -1.280 -16.015 -2.082 1.00 2.30 H new ATOM 942 N CYS A 63 3.303 -16.077 -4.769 1.00 31.01 N ATOM 943 CA CYS A 63 4.179 -15.902 -5.958 1.00 44.13 C ATOM 944 C CYS A 63 4.389 -14.392 -6.282 1.00 72.24 C ATOM 945 O CYS A 63 3.518 -13.563 -5.964 1.00 51.04 O ATOM 946 CB CYS A 63 3.643 -16.698 -7.184 1.00 12.25 C ATOM 947 SG CYS A 63 3.401 -18.461 -6.862 1.00 50.32 S ATOM 0 H CYS A 63 3.822 -16.356 -3.936 1.00 31.01 H new ATOM 0 HA CYS A 63 5.157 -16.318 -5.718 1.00 44.13 H new ATOM 0 HB2 CYS A 63 2.695 -16.263 -7.501 1.00 12.25 H new ATOM 0 HB3 CYS A 63 4.341 -16.582 -8.013 1.00 12.25 H new ATOM 0 HG CYS A 63 2.952 -19.041 -7.936 1.00 50.32 H new ATOM 953 N PRO A 64 5.561 -14.005 -6.930 1.00 41.11 N ATOM 954 CA PRO A 64 5.893 -12.581 -7.251 1.00 54.13 C ATOM 955 C PRO A 64 4.792 -11.831 -8.032 1.00 40.43 C ATOM 956 O PRO A 64 4.695 -10.612 -7.931 1.00 5.31 O ATOM 957 CB PRO A 64 7.194 -12.685 -8.082 1.00 75.50 C ATOM 958 CG PRO A 64 7.818 -13.972 -7.635 1.00 42.30 C ATOM 959 CD PRO A 64 6.662 -14.914 -7.373 1.00 63.40 C ATOM 0 HA PRO A 64 5.996 -11.994 -6.338 1.00 54.13 H new ATOM 0 HB2 PRO A 64 6.983 -12.696 -9.151 1.00 75.50 H new ATOM 0 HB3 PRO A 64 7.854 -11.837 -7.896 1.00 75.50 H new ATOM 0 HG2 PRO A 64 8.484 -14.372 -8.400 1.00 42.30 H new ATOM 0 HG3 PRO A 64 8.417 -13.826 -6.736 1.00 42.30 H new ATOM 0 HD2 PRO A 64 6.387 -15.470 -8.269 1.00 63.40 H new ATOM 0 HD3 PRO A 64 6.909 -15.648 -6.606 1.00 63.40 H new ATOM 967 N SER A 65 3.966 -12.583 -8.788 1.00 53.34 N ATOM 968 CA SER A 65 2.845 -12.023 -9.562 1.00 64.45 C ATOM 969 C SER A 65 1.861 -11.278 -8.635 1.00 2.11 C ATOM 970 O SER A 65 1.641 -10.082 -8.811 1.00 62.23 O ATOM 971 CB SER A 65 2.119 -13.144 -10.332 1.00 14.02 C ATOM 972 OG SER A 65 1.051 -12.634 -11.126 1.00 12.31 O ATOM 0 H SER A 65 4.059 -13.595 -8.877 1.00 53.34 H new ATOM 0 HA SER A 65 3.243 -11.307 -10.281 1.00 64.45 H new ATOM 0 HB2 SER A 65 2.831 -13.666 -10.972 1.00 14.02 H new ATOM 0 HB3 SER A 65 1.729 -13.877 -9.626 1.00 14.02 H new ATOM 0 HG SER A 65 0.615 -13.372 -11.601 1.00 12.31 H new ATOM 978 N SER A 66 1.324 -11.999 -7.621 1.00 53.10 N ATOM 979 CA SER A 66 0.330 -11.450 -6.669 1.00 71.03 C ATOM 980 C SER A 66 0.898 -10.275 -5.850 1.00 54.04 C ATOM 981 O SER A 66 0.173 -9.328 -5.530 1.00 10.32 O ATOM 982 CB SER A 66 -0.157 -12.559 -5.721 1.00 63.24 C ATOM 983 OG SER A 66 -0.751 -13.624 -6.446 1.00 2.22 O ATOM 0 H SER A 66 1.567 -12.973 -7.441 1.00 53.10 H new ATOM 0 HA SER A 66 -0.507 -11.069 -7.254 1.00 71.03 H new ATOM 0 HB2 SER A 66 0.682 -12.936 -5.136 1.00 63.24 H new ATOM 0 HB3 SER A 66 -0.879 -12.148 -5.015 1.00 63.24 H new ATOM 0 HG SER A 66 -0.212 -14.435 -6.336 1.00 2.22 H new ATOM 989 N ILE A 67 2.199 -10.375 -5.516 1.00 32.22 N ATOM 990 CA ILE A 67 2.947 -9.328 -4.794 1.00 71.43 C ATOM 991 C ILE A 67 2.960 -8.001 -5.592 1.00 24.41 C ATOM 992 O ILE A 67 2.539 -6.966 -5.076 1.00 22.51 O ATOM 993 CB ILE A 67 4.428 -9.791 -4.496 1.00 25.23 C ATOM 994 CG1 ILE A 67 4.434 -11.093 -3.632 1.00 44.21 C ATOM 995 CG2 ILE A 67 5.257 -8.667 -3.825 1.00 32.25 C ATOM 996 CD1 ILE A 67 5.810 -11.677 -3.343 1.00 42.42 C ATOM 0 H ILE A 67 2.765 -11.193 -5.742 1.00 32.22 H new ATOM 0 HA ILE A 67 2.437 -9.159 -3.846 1.00 71.43 H new ATOM 0 HB ILE A 67 4.905 -10.013 -5.451 1.00 25.23 H new ATOM 0 HG12 ILE A 67 3.941 -10.882 -2.683 1.00 44.21 H new ATOM 0 HG13 ILE A 67 3.836 -11.849 -4.141 1.00 44.21 H new ATOM 0 HG21 ILE A 67 6.269 -9.025 -3.636 1.00 32.25 H new ATOM 0 HG22 ILE A 67 5.295 -7.800 -4.485 1.00 32.25 H new ATOM 0 HG23 ILE A 67 4.790 -8.384 -2.881 1.00 32.25 H new ATOM 0 HD11 ILE A 67 5.703 -12.577 -2.738 1.00 42.42 H new ATOM 0 HD12 ILE A 67 6.303 -11.928 -4.282 1.00 42.42 H new ATOM 0 HD13 ILE A 67 6.410 -10.945 -2.802 1.00 42.42 H new ATOM 1008 N ILE A 68 3.416 -8.076 -6.862 1.00 21.20 N ATOM 1009 CA ILE A 68 3.582 -6.904 -7.744 1.00 22.40 C ATOM 1010 C ILE A 68 2.210 -6.308 -8.149 1.00 3.54 C ATOM 1011 O ILE A 68 2.063 -5.087 -8.221 1.00 5.34 O ATOM 1012 CB ILE A 68 4.445 -7.274 -9.021 1.00 73.41 C ATOM 1013 CG1 ILE A 68 5.874 -7.774 -8.604 1.00 74.30 C ATOM 1014 CG2 ILE A 68 4.555 -6.085 -10.006 1.00 33.41 C ATOM 1015 CD1 ILE A 68 6.731 -8.304 -9.749 1.00 45.34 C ATOM 0 H ILE A 68 3.680 -8.956 -7.304 1.00 21.20 H new ATOM 0 HA ILE A 68 4.121 -6.139 -7.185 1.00 22.40 H new ATOM 0 HB ILE A 68 3.928 -8.083 -9.536 1.00 73.41 H new ATOM 0 HG12 ILE A 68 6.404 -6.952 -8.124 1.00 74.30 H new ATOM 0 HG13 ILE A 68 5.764 -8.561 -7.858 1.00 74.30 H new ATOM 0 HG21 ILE A 68 5.154 -6.380 -10.867 1.00 33.41 H new ATOM 0 HG22 ILE A 68 3.558 -5.795 -10.339 1.00 33.41 H new ATOM 0 HG23 ILE A 68 5.030 -5.241 -9.506 1.00 33.41 H new ATOM 0 HD11 ILE A 68 7.698 -8.625 -9.361 1.00 45.34 H new ATOM 0 HD12 ILE A 68 6.229 -9.150 -10.218 1.00 45.34 H new ATOM 0 HD13 ILE A 68 6.879 -7.516 -10.487 1.00 45.34 H new ATOM 1027 N THR A 69 1.207 -7.185 -8.372 1.00 62.34 N ATOM 1028 CA THR A 69 -0.160 -6.776 -8.771 1.00 21.23 C ATOM 1029 C THR A 69 -0.861 -5.999 -7.633 1.00 15.33 C ATOM 1030 O THR A 69 -1.507 -4.969 -7.881 1.00 10.25 O ATOM 1031 CB THR A 69 -1.012 -8.023 -9.177 1.00 54.24 C ATOM 1032 OG1 THR A 69 -0.312 -8.762 -10.185 1.00 73.32 O ATOM 1033 CG2 THR A 69 -2.405 -7.652 -9.718 1.00 50.12 C ATOM 0 H THR A 69 1.321 -8.195 -8.281 1.00 62.34 H new ATOM 0 HA THR A 69 -0.073 -6.116 -9.634 1.00 21.23 H new ATOM 0 HB THR A 69 -1.158 -8.616 -8.274 1.00 54.24 H new ATOM 0 HG1 THR A 69 0.417 -9.270 -9.771 1.00 73.32 H new ATOM 0 HG21 THR A 69 -2.947 -8.560 -9.982 1.00 50.12 H new ATOM 0 HG22 THR A 69 -2.959 -7.108 -8.953 1.00 50.12 H new ATOM 0 HG23 THR A 69 -2.296 -7.024 -10.602 1.00 50.12 H new ATOM 1041 N LEU A 70 -0.697 -6.503 -6.387 1.00 13.11 N ATOM 1042 CA LEU A 70 -1.213 -5.838 -5.173 1.00 43.33 C ATOM 1043 C LEU A 70 -0.503 -4.482 -4.983 1.00 53.34 C ATOM 1044 O LEU A 70 -1.152 -3.456 -4.778 1.00 31.20 O ATOM 1045 CB LEU A 70 -1.001 -6.741 -3.918 1.00 55.22 C ATOM 1046 CG LEU A 70 -1.507 -6.170 -2.548 1.00 41.14 C ATOM 1047 CD1 LEU A 70 -3.028 -5.897 -2.577 1.00 31.21 C ATOM 1048 CD2 LEU A 70 -1.115 -7.100 -1.374 1.00 13.42 C ATOM 0 H LEU A 70 -0.206 -7.377 -6.198 1.00 13.11 H new ATOM 0 HA LEU A 70 -2.283 -5.669 -5.293 1.00 43.33 H new ATOM 0 HB2 LEU A 70 -1.501 -7.693 -4.095 1.00 55.22 H new ATOM 0 HB3 LEU A 70 0.064 -6.952 -3.826 1.00 55.22 H new ATOM 0 HG LEU A 70 -1.011 -5.213 -2.385 1.00 41.14 H new ATOM 0 HD11 LEU A 70 -3.345 -5.502 -1.612 1.00 31.21 H new ATOM 0 HD12 LEU A 70 -3.252 -5.170 -3.358 1.00 31.21 H new ATOM 0 HD13 LEU A 70 -3.561 -6.826 -2.782 1.00 31.21 H new ATOM 0 HD21 LEU A 70 -1.480 -6.677 -0.438 1.00 13.42 H new ATOM 0 HD22 LEU A 70 -1.559 -8.084 -1.525 1.00 13.42 H new ATOM 0 HD23 LEU A 70 -0.030 -7.194 -1.331 1.00 13.42 H new ATOM 1060 N LYS A 71 0.841 -4.521 -5.121 1.00 3.02 N ATOM 1061 CA LYS A 71 1.749 -3.361 -4.992 1.00 41.00 C ATOM 1062 C LYS A 71 1.365 -2.240 -5.990 1.00 40.52 C ATOM 1063 O LYS A 71 1.396 -1.056 -5.642 1.00 52.10 O ATOM 1064 CB LYS A 71 3.217 -3.873 -5.199 1.00 53.33 C ATOM 1065 CG LYS A 71 4.357 -2.823 -5.074 1.00 12.32 C ATOM 1066 CD LYS A 71 4.698 -2.079 -6.392 1.00 51.35 C ATOM 1067 CE LYS A 71 5.248 -3.005 -7.489 1.00 21.02 C ATOM 1068 NZ LYS A 71 5.656 -2.239 -8.706 1.00 51.31 N ATOM 0 H LYS A 71 1.338 -5.387 -5.331 1.00 3.02 H new ATOM 0 HA LYS A 71 1.664 -2.916 -4.001 1.00 41.00 H new ATOM 0 HB2 LYS A 71 3.405 -4.664 -4.473 1.00 53.33 H new ATOM 0 HB3 LYS A 71 3.281 -4.326 -6.188 1.00 53.33 H new ATOM 0 HG2 LYS A 71 4.075 -2.088 -4.320 1.00 12.32 H new ATOM 0 HG3 LYS A 71 5.255 -3.323 -4.712 1.00 12.32 H new ATOM 0 HD2 LYS A 71 3.802 -1.581 -6.762 1.00 51.35 H new ATOM 0 HD3 LYS A 71 5.431 -1.300 -6.182 1.00 51.35 H new ATOM 0 HE2 LYS A 71 6.104 -3.558 -7.103 1.00 21.02 H new ATOM 0 HE3 LYS A 71 4.490 -3.740 -7.759 1.00 21.02 H new ATOM 0 HZ1 LYS A 71 6.274 -2.830 -9.297 1.00 51.31 H new ATOM 0 HZ2 LYS A 71 4.810 -1.972 -9.248 1.00 51.31 H new ATOM 0 HZ3 LYS A 71 6.169 -1.381 -8.420 1.00 51.31 H new ATOM 1082 N ASN A 72 0.999 -2.641 -7.224 1.00 40.11 N ATOM 1083 CA ASN A 72 0.623 -1.710 -8.312 1.00 15.43 C ATOM 1084 C ASN A 72 -0.792 -1.153 -8.118 1.00 10.04 C ATOM 1085 O ASN A 72 -1.056 -0.003 -8.475 1.00 31.15 O ATOM 1086 CB ASN A 72 0.752 -2.396 -9.702 1.00 13.04 C ATOM 1087 CG ASN A 72 2.204 -2.578 -10.152 1.00 54.14 C ATOM 1088 OD1 ASN A 72 3.080 -1.778 -9.813 1.00 1.41 O ATOM 1089 ND2 ASN A 72 2.472 -3.625 -10.919 1.00 12.55 N ATOM 0 H ASN A 72 0.955 -3.623 -7.497 1.00 40.11 H new ATOM 0 HA ASN A 72 1.319 -0.872 -8.274 1.00 15.43 H new ATOM 0 HB2 ASN A 72 0.265 -3.370 -9.666 1.00 13.04 H new ATOM 0 HB3 ASN A 72 0.220 -1.801 -10.444 1.00 13.04 H new ATOM 0 HD21 ASN A 72 3.424 -3.787 -11.246 1.00 12.55 H new ATOM 0 HD22 ASN A 72 1.726 -4.269 -11.182 1.00 12.55 H new ATOM 1096 N GLY A 73 -1.698 -1.969 -7.558 1.00 0.31 N ATOM 1097 CA GLY A 73 -3.047 -1.506 -7.226 1.00 12.43 C ATOM 1098 C GLY A 73 -3.015 -0.380 -6.190 1.00 45.43 C ATOM 1099 O GLY A 73 -3.659 0.671 -6.357 1.00 24.14 O ATOM 0 H GLY A 73 -1.519 -2.947 -7.328 1.00 0.31 H new ATOM 0 HA2 GLY A 73 -3.545 -1.156 -8.130 1.00 12.43 H new ATOM 0 HA3 GLY A 73 -3.634 -2.340 -6.841 1.00 12.43 H new ATOM 1103 N ILE A 74 -2.189 -0.604 -5.149 1.00 54.32 N ATOM 1104 CA ILE A 74 -1.924 0.368 -4.080 1.00 45.42 C ATOM 1105 C ILE A 74 -1.204 1.612 -4.661 1.00 61.24 C ATOM 1106 O ILE A 74 -1.524 2.740 -4.294 1.00 11.31 O ATOM 1107 CB ILE A 74 -1.049 -0.287 -2.936 1.00 52.51 C ATOM 1108 CG1 ILE A 74 -1.754 -1.559 -2.352 1.00 53.21 C ATOM 1109 CG2 ILE A 74 -0.732 0.734 -1.819 1.00 0.22 C ATOM 1110 CD1 ILE A 74 -0.921 -2.372 -1.366 1.00 73.21 C ATOM 0 H ILE A 74 -1.681 -1.480 -5.029 1.00 54.32 H new ATOM 0 HA ILE A 74 -2.876 0.679 -3.649 1.00 45.42 H new ATOM 0 HB ILE A 74 -0.102 -0.599 -3.377 1.00 52.51 H new ATOM 0 HG12 ILE A 74 -2.674 -1.249 -1.856 1.00 53.21 H new ATOM 0 HG13 ILE A 74 -2.042 -2.207 -3.180 1.00 53.21 H new ATOM 0 HG21 ILE A 74 -0.130 0.254 -1.048 1.00 0.22 H new ATOM 0 HG22 ILE A 74 -0.180 1.574 -2.240 1.00 0.22 H new ATOM 0 HG23 ILE A 74 -1.663 1.094 -1.381 1.00 0.22 H new ATOM 0 HD11 ILE A 74 -1.499 -3.229 -1.022 1.00 73.21 H new ATOM 0 HD12 ILE A 74 -0.013 -2.721 -1.858 1.00 73.21 H new ATOM 0 HD13 ILE A 74 -0.655 -1.748 -0.513 1.00 73.21 H new ATOM 1122 N GLN A 75 -0.270 1.363 -5.607 1.00 60.40 N ATOM 1123 CA GLN A 75 0.522 2.406 -6.293 1.00 52.31 C ATOM 1124 C GLN A 75 -0.393 3.433 -6.983 1.00 2.33 C ATOM 1125 O GLN A 75 -0.386 4.595 -6.601 1.00 54.32 O ATOM 1126 CB GLN A 75 1.490 1.751 -7.320 1.00 4.21 C ATOM 1127 CG GLN A 75 2.314 2.734 -8.167 1.00 64.14 C ATOM 1128 CD GLN A 75 3.082 2.051 -9.300 1.00 12.40 C ATOM 1129 OE1 GLN A 75 2.569 1.895 -10.407 1.00 63.21 O ATOM 1130 NE2 GLN A 75 4.309 1.637 -9.038 1.00 73.14 N ATOM 0 H GLN A 75 -0.043 0.419 -5.919 1.00 60.40 H new ATOM 0 HA GLN A 75 1.111 2.938 -5.546 1.00 52.31 H new ATOM 0 HB2 GLN A 75 2.176 1.098 -6.782 1.00 4.21 H new ATOM 0 HB3 GLN A 75 0.908 1.119 -7.991 1.00 4.21 H new ATOM 0 HG2 GLN A 75 1.649 3.487 -8.589 1.00 64.14 H new ATOM 0 HG3 GLN A 75 3.019 3.258 -7.522 1.00 64.14 H new ATOM 0 HE21 GLN A 75 4.708 1.780 -8.110 1.00 73.14 H new ATOM 0 HE22 GLN A 75 4.857 1.174 -9.763 1.00 73.14 H new ATOM 1139 N ASN A 76 -1.213 2.971 -7.954 1.00 42.25 N ATOM 1140 CA ASN A 76 -2.073 3.861 -8.765 1.00 64.25 C ATOM 1141 C ASN A 76 -3.180 4.516 -7.914 1.00 3.42 C ATOM 1142 O ASN A 76 -3.607 5.633 -8.219 1.00 33.30 O ATOM 1143 CB ASN A 76 -2.701 3.105 -9.962 1.00 51.42 C ATOM 1144 CG ASN A 76 -1.668 2.619 -10.987 1.00 63.32 C ATOM 1145 OD1 ASN A 76 -1.247 3.366 -11.872 1.00 54.45 O ATOM 1146 ND2 ASN A 76 -1.293 1.356 -10.913 1.00 33.45 N ATOM 0 H ASN A 76 -1.297 1.983 -8.195 1.00 42.25 H new ATOM 0 HA ASN A 76 -1.429 4.650 -9.153 1.00 64.25 H new ATOM 0 HB2 ASN A 76 -3.261 2.248 -9.587 1.00 51.42 H new ATOM 0 HB3 ASN A 76 -3.416 3.759 -10.460 1.00 51.42 H new ATOM 0 HD21 ASN A 76 -0.640 0.977 -11.598 1.00 33.45 H new ATOM 0 HD22 ASN A 76 -1.656 0.759 -10.170 1.00 33.45 H new ATOM 1153 N MET A 77 -3.635 3.815 -6.852 1.00 64.33 N ATOM 1154 CA MET A 77 -4.634 4.363 -5.911 1.00 72.44 C ATOM 1155 C MET A 77 -4.051 5.588 -5.174 1.00 33.35 C ATOM 1156 O MET A 77 -4.656 6.663 -5.172 1.00 13.22 O ATOM 1157 CB MET A 77 -5.072 3.294 -4.877 1.00 34.15 C ATOM 1158 CG MET A 77 -6.224 3.726 -3.948 1.00 13.41 C ATOM 1159 SD MET A 77 -6.332 2.705 -2.466 1.00 51.33 S ATOM 1160 CE MET A 77 -4.800 3.146 -1.633 1.00 11.11 C ATOM 0 H MET A 77 -3.326 2.870 -6.626 1.00 64.33 H new ATOM 0 HA MET A 77 -5.509 4.666 -6.487 1.00 72.44 H new ATOM 0 HB2 MET A 77 -5.374 2.394 -5.412 1.00 34.15 H new ATOM 0 HB3 MET A 77 -4.211 3.027 -4.264 1.00 34.15 H new ATOM 0 HG2 MET A 77 -6.083 4.767 -3.659 1.00 13.41 H new ATOM 0 HG3 MET A 77 -7.166 3.671 -4.493 1.00 13.41 H new ATOM 0 HE1 MET A 77 -4.906 2.976 -0.562 1.00 11.11 H new ATOM 0 HE2 MET A 77 -3.986 2.532 -2.019 1.00 11.11 H new ATOM 0 HE3 MET A 77 -4.578 4.198 -1.813 1.00 11.11 H new ATOM 1170 N LEU A 78 -2.851 5.405 -4.579 1.00 45.32 N ATOM 1171 CA LEU A 78 -2.142 6.466 -3.843 1.00 75.02 C ATOM 1172 C LEU A 78 -1.720 7.612 -4.784 1.00 23.10 C ATOM 1173 O LEU A 78 -1.830 8.763 -4.417 1.00 63.43 O ATOM 1174 CB LEU A 78 -0.903 5.889 -3.096 1.00 54.33 C ATOM 1175 CG LEU A 78 -1.194 4.890 -1.932 1.00 63.03 C ATOM 1176 CD1 LEU A 78 0.111 4.291 -1.378 1.00 10.25 C ATOM 1177 CD2 LEU A 78 -2.014 5.560 -0.813 1.00 31.02 C ATOM 0 H LEU A 78 -2.350 4.517 -4.598 1.00 45.32 H new ATOM 0 HA LEU A 78 -2.832 6.873 -3.104 1.00 75.02 H new ATOM 0 HB2 LEU A 78 -0.268 5.387 -3.826 1.00 54.33 H new ATOM 0 HB3 LEU A 78 -0.328 6.723 -2.694 1.00 54.33 H new ATOM 0 HG LEU A 78 -1.792 4.074 -2.338 1.00 63.03 H new ATOM 0 HD11 LEU A 78 -0.121 3.599 -0.569 1.00 10.25 H new ATOM 0 HD12 LEU A 78 0.633 3.758 -2.173 1.00 10.25 H new ATOM 0 HD13 LEU A 78 0.747 5.091 -1.000 1.00 10.25 H new ATOM 0 HD21 LEU A 78 -2.200 4.839 -0.017 1.00 31.02 H new ATOM 0 HD22 LEU A 78 -1.458 6.407 -0.412 1.00 31.02 H new ATOM 0 HD23 LEU A 78 -2.965 5.908 -1.217 1.00 31.02 H new ATOM 1189 N GLN A 79 -1.277 7.268 -6.009 1.00 13.03 N ATOM 1190 CA GLN A 79 -0.823 8.255 -7.023 1.00 51.42 C ATOM 1191 C GLN A 79 -1.982 9.128 -7.535 1.00 33.24 C ATOM 1192 O GLN A 79 -1.773 10.296 -7.897 1.00 14.52 O ATOM 1193 CB GLN A 79 -0.120 7.545 -8.212 1.00 65.22 C ATOM 1194 CG GLN A 79 1.281 7.003 -7.875 1.00 10.42 C ATOM 1195 CD GLN A 79 1.934 6.226 -9.016 1.00 51.53 C ATOM 1196 OE1 GLN A 79 1.260 5.557 -9.801 1.00 60.40 O ATOM 1197 NE2 GLN A 79 3.248 6.312 -9.122 1.00 34.21 N ATOM 0 H GLN A 79 -1.222 6.301 -6.329 1.00 13.03 H new ATOM 0 HA GLN A 79 -0.105 8.911 -6.530 1.00 51.42 H new ATOM 0 HB2 GLN A 79 -0.746 6.720 -8.551 1.00 65.22 H new ATOM 0 HB3 GLN A 79 -0.038 8.245 -9.043 1.00 65.22 H new ATOM 0 HG2 GLN A 79 1.926 7.837 -7.600 1.00 10.42 H new ATOM 0 HG3 GLN A 79 1.209 6.355 -7.002 1.00 10.42 H new ATOM 0 HE21 GLN A 79 3.778 6.874 -8.456 1.00 34.21 H new ATOM 0 HE22 GLN A 79 3.733 5.816 -9.870 1.00 34.21 H new ATOM 1206 N PHE A 80 -3.197 8.543 -7.557 1.00 40.13 N ATOM 1207 CA PHE A 80 -4.425 9.227 -8.000 1.00 43.24 C ATOM 1208 C PHE A 80 -4.726 10.429 -7.083 1.00 11.12 C ATOM 1209 O PHE A 80 -5.031 11.521 -7.560 1.00 51.12 O ATOM 1210 CB PHE A 80 -5.624 8.229 -8.013 1.00 61.15 C ATOM 1211 CG PHE A 80 -6.950 8.826 -8.498 1.00 60.31 C ATOM 1212 CD1 PHE A 80 -7.229 8.929 -9.862 1.00 41.33 C ATOM 1213 CD2 PHE A 80 -7.909 9.292 -7.594 1.00 34.44 C ATOM 1214 CE1 PHE A 80 -8.421 9.475 -10.302 1.00 4.31 C ATOM 1215 CE2 PHE A 80 -9.098 9.837 -8.036 1.00 23.01 C ATOM 1216 CZ PHE A 80 -9.355 9.931 -9.389 1.00 2.30 C ATOM 0 H PHE A 80 -3.353 7.578 -7.266 1.00 40.13 H new ATOM 0 HA PHE A 80 -4.276 9.597 -9.014 1.00 43.24 H new ATOM 0 HB2 PHE A 80 -5.368 7.383 -8.650 1.00 61.15 H new ATOM 0 HB3 PHE A 80 -5.764 7.838 -7.005 1.00 61.15 H new ATOM 0 HD1 PHE A 80 -6.505 8.578 -10.582 1.00 41.33 H new ATOM 0 HD2 PHE A 80 -7.717 9.225 -6.533 1.00 34.44 H new ATOM 0 HE1 PHE A 80 -8.623 9.546 -11.361 1.00 4.31 H new ATOM 0 HE2 PHE A 80 -9.828 10.190 -7.322 1.00 23.01 H new ATOM 0 HZ PHE A 80 -10.284 10.360 -9.734 1.00 2.30 H new ATOM 1226 N TYR A 81 -4.633 10.207 -5.762 1.00 12.11 N ATOM 1227 CA TYR A 81 -4.938 11.238 -4.748 1.00 32.25 C ATOM 1228 C TYR A 81 -3.702 12.098 -4.424 1.00 22.11 C ATOM 1229 O TYR A 81 -3.811 13.302 -4.170 1.00 61.31 O ATOM 1230 CB TYR A 81 -5.478 10.563 -3.462 1.00 15.34 C ATOM 1231 CG TYR A 81 -6.772 9.763 -3.691 1.00 40.42 C ATOM 1232 CD1 TYR A 81 -7.992 10.414 -3.901 1.00 52.31 C ATOM 1233 CD2 TYR A 81 -6.774 8.365 -3.711 1.00 31.33 C ATOM 1234 CE1 TYR A 81 -9.154 9.700 -4.120 1.00 53.44 C ATOM 1235 CE2 TYR A 81 -7.937 7.651 -3.930 1.00 52.25 C ATOM 1236 CZ TYR A 81 -9.123 8.323 -4.133 1.00 11.13 C ATOM 1237 OH TYR A 81 -10.284 7.619 -4.355 1.00 54.40 O ATOM 0 H TYR A 81 -4.346 9.313 -5.365 1.00 12.11 H new ATOM 0 HA TYR A 81 -5.700 11.901 -5.157 1.00 32.25 H new ATOM 0 HB2 TYR A 81 -4.714 9.897 -3.061 1.00 15.34 H new ATOM 0 HB3 TYR A 81 -5.661 11.328 -2.708 1.00 15.34 H new ATOM 0 HD1 TYR A 81 -8.026 11.493 -3.892 1.00 52.31 H new ATOM 0 HD2 TYR A 81 -5.848 7.832 -3.552 1.00 31.33 H new ATOM 0 HE1 TYR A 81 -10.086 10.221 -4.281 1.00 53.44 H new ATOM 0 HE2 TYR A 81 -7.916 6.571 -3.942 1.00 52.25 H new ATOM 0 HH TYR A 81 -10.316 7.327 -5.290 1.00 54.40 H new ATOM 1247 N ILE A 82 -2.530 11.448 -4.456 1.00 50.42 N ATOM 1248 CA ILE A 82 -1.252 11.995 -3.960 1.00 25.31 C ATOM 1249 C ILE A 82 -0.221 11.972 -5.108 1.00 64.43 C ATOM 1250 O ILE A 82 0.262 10.894 -5.474 1.00 3.30 O ATOM 1251 CB ILE A 82 -0.695 11.126 -2.758 1.00 0.54 C ATOM 1252 CG1 ILE A 82 -1.817 10.796 -1.725 1.00 73.10 C ATOM 1253 CG2 ILE A 82 0.507 11.821 -2.074 1.00 73.32 C ATOM 1254 CD1 ILE A 82 -1.462 9.717 -0.719 1.00 22.23 C ATOM 0 H ILE A 82 -2.439 10.506 -4.835 1.00 50.42 H new ATOM 0 HA ILE A 82 -1.420 13.013 -3.610 1.00 25.31 H new ATOM 0 HB ILE A 82 -0.342 10.182 -3.173 1.00 0.54 H new ATOM 0 HG12 ILE A 82 -2.072 11.707 -1.184 1.00 73.10 H new ATOM 0 HG13 ILE A 82 -2.711 10.487 -2.267 1.00 73.10 H new ATOM 0 HG21 ILE A 82 0.867 11.201 -1.253 1.00 73.32 H new ATOM 0 HG22 ILE A 82 1.307 11.962 -2.800 1.00 73.32 H new ATOM 0 HG23 ILE A 82 0.194 12.790 -1.686 1.00 73.32 H new ATOM 0 HD11 ILE A 82 -2.303 9.558 -0.044 1.00 22.23 H new ATOM 0 HD12 ILE A 82 -1.238 8.789 -1.245 1.00 22.23 H new ATOM 0 HD13 ILE A 82 -0.590 10.028 -0.144 1.00 22.23 H new ATOM 1266 N PRO A 83 0.149 13.148 -5.697 1.00 65.23 N ATOM 1267 CA PRO A 83 1.153 13.209 -6.793 1.00 31.12 C ATOM 1268 C PRO A 83 2.598 13.007 -6.282 1.00 65.15 C ATOM 1269 O PRO A 83 3.543 12.942 -7.074 1.00 32.15 O ATOM 1270 CB PRO A 83 0.919 14.625 -7.381 1.00 3.24 C ATOM 1271 CG PRO A 83 0.445 15.445 -6.218 1.00 62.20 C ATOM 1272 CD PRO A 83 -0.373 14.506 -5.349 1.00 53.23 C ATOM 0 HA PRO A 83 1.036 12.415 -7.530 1.00 31.12 H new ATOM 0 HB2 PRO A 83 1.835 15.034 -7.807 1.00 3.24 H new ATOM 0 HB3 PRO A 83 0.178 14.605 -8.180 1.00 3.24 H new ATOM 0 HG2 PRO A 83 1.287 15.857 -5.662 1.00 62.20 H new ATOM 0 HG3 PRO A 83 -0.157 16.289 -6.555 1.00 62.20 H new ATOM 0 HD2 PRO A 83 -0.241 14.725 -4.289 1.00 53.23 H new ATOM 0 HD3 PRO A 83 -1.439 14.591 -5.562 1.00 53.23 H new ATOM 1280 N GLU A 84 2.752 12.894 -4.950 1.00 24.23 N ATOM 1281 CA GLU A 84 4.055 12.724 -4.292 1.00 24.22 C ATOM 1282 C GLU A 84 4.551 11.273 -4.403 1.00 51.43 C ATOM 1283 O GLU A 84 5.759 11.027 -4.395 1.00 21.22 O ATOM 1284 CB GLU A 84 3.956 13.161 -2.801 1.00 42.02 C ATOM 1285 CG GLU A 84 3.264 14.529 -2.579 1.00 33.34 C ATOM 1286 CD GLU A 84 3.881 15.681 -3.404 1.00 21.14 C ATOM 1287 OE1 GLU A 84 4.956 16.186 -3.021 1.00 11.22 O ATOM 1288 OE2 GLU A 84 3.308 16.069 -4.449 1.00 61.23 O ATOM 0 H GLU A 84 1.968 12.919 -4.298 1.00 24.23 H new ATOM 0 HA GLU A 84 4.782 13.358 -4.799 1.00 24.22 H new ATOM 0 HB2 GLU A 84 3.410 12.397 -2.247 1.00 42.02 H new ATOM 0 HB3 GLU A 84 4.961 13.203 -2.380 1.00 42.02 H new ATOM 0 HG2 GLU A 84 2.208 14.437 -2.834 1.00 33.34 H new ATOM 0 HG3 GLU A 84 3.316 14.784 -1.521 1.00 33.34 H new ATOM 1295 N VAL A 85 3.599 10.324 -4.510 1.00 71.32 N ATOM 1296 CA VAL A 85 3.898 8.887 -4.594 1.00 74.55 C ATOM 1297 C VAL A 85 4.483 8.530 -5.983 1.00 71.33 C ATOM 1298 O VAL A 85 3.840 8.739 -7.010 1.00 45.32 O ATOM 1299 CB VAL A 85 2.620 8.010 -4.284 1.00 63.13 C ATOM 1300 CG1 VAL A 85 2.910 6.489 -4.406 1.00 61.45 C ATOM 1301 CG2 VAL A 85 2.053 8.348 -2.886 1.00 10.40 C ATOM 0 H VAL A 85 2.602 10.536 -4.540 1.00 71.32 H new ATOM 0 HA VAL A 85 4.646 8.660 -3.835 1.00 74.55 H new ATOM 0 HB VAL A 85 1.870 8.256 -5.036 1.00 63.13 H new ATOM 0 HG11 VAL A 85 2.003 5.927 -4.184 1.00 61.45 H new ATOM 0 HG12 VAL A 85 3.239 6.262 -5.420 1.00 61.45 H new ATOM 0 HG13 VAL A 85 3.692 6.210 -3.700 1.00 61.45 H new ATOM 0 HG21 VAL A 85 1.174 7.734 -2.692 1.00 10.40 H new ATOM 0 HG22 VAL A 85 2.810 8.148 -2.128 1.00 10.40 H new ATOM 0 HG23 VAL A 85 1.775 9.401 -2.851 1.00 10.40 H new ATOM 1311 N GLU A 86 5.731 8.047 -5.975 1.00 72.55 N ATOM 1312 CA GLU A 86 6.437 7.510 -7.155 1.00 13.40 C ATOM 1313 C GLU A 86 6.061 6.039 -7.376 1.00 52.05 C ATOM 1314 O GLU A 86 5.954 5.568 -8.518 1.00 12.22 O ATOM 1315 CB GLU A 86 7.974 7.653 -6.943 1.00 53.53 C ATOM 1316 CG GLU A 86 8.499 9.098 -7.014 1.00 34.55 C ATOM 1317 CD GLU A 86 8.366 9.713 -8.417 1.00 52.41 C ATOM 1318 OE1 GLU A 86 9.122 9.297 -9.324 1.00 61.45 O ATOM 1319 OE2 GLU A 86 7.515 10.604 -8.627 1.00 2.23 O ATOM 0 H GLU A 86 6.297 8.016 -5.127 1.00 72.55 H new ATOM 0 HA GLU A 86 6.143 8.073 -8.041 1.00 13.40 H new ATOM 0 HB2 GLU A 86 8.234 7.233 -5.971 1.00 53.53 H new ATOM 0 HB3 GLU A 86 8.488 7.056 -7.696 1.00 53.53 H new ATOM 0 HG2 GLU A 86 7.953 9.714 -6.299 1.00 34.55 H new ATOM 0 HG3 GLU A 86 9.547 9.114 -6.713 1.00 34.55 H new ATOM 1326 N GLY A 87 5.855 5.324 -6.267 1.00 72.43 N ATOM 1327 CA GLY A 87 5.515 3.914 -6.317 1.00 61.21 C ATOM 1328 C GLY A 87 5.362 3.316 -4.936 1.00 74.45 C ATOM 1329 O GLY A 87 5.284 4.039 -3.946 1.00 4.14 O ATOM 0 H GLY A 87 5.920 5.707 -5.324 1.00 72.43 H new ATOM 0 HA2 GLY A 87 4.586 3.785 -6.872 1.00 61.21 H new ATOM 0 HA3 GLY A 87 6.289 3.374 -6.862 1.00 61.21 H new ATOM 1333 N VAL A 88 5.309 1.980 -4.890 1.00 65.11 N ATOM 1334 CA VAL A 88 5.186 1.190 -3.645 1.00 61.43 C ATOM 1335 C VAL A 88 6.263 0.073 -3.682 1.00 61.22 C ATOM 1336 O VAL A 88 6.817 -0.227 -4.749 1.00 33.13 O ATOM 1337 CB VAL A 88 3.713 0.597 -3.476 1.00 72.22 C ATOM 1338 CG1 VAL A 88 3.544 -0.289 -2.211 1.00 51.10 C ATOM 1339 CG2 VAL A 88 2.661 1.730 -3.458 1.00 2.54 C ATOM 0 H VAL A 88 5.351 1.401 -5.729 1.00 65.11 H new ATOM 0 HA VAL A 88 5.352 1.827 -2.776 1.00 61.43 H new ATOM 0 HB VAL A 88 3.553 -0.045 -4.342 1.00 72.22 H new ATOM 0 HG11 VAL A 88 2.520 -0.658 -2.159 1.00 51.10 H new ATOM 0 HG12 VAL A 88 4.232 -1.133 -2.263 1.00 51.10 H new ATOM 0 HG13 VAL A 88 3.762 0.302 -1.321 1.00 51.10 H new ATOM 0 HG21 VAL A 88 1.666 1.301 -3.342 1.00 2.54 H new ATOM 0 HG22 VAL A 88 2.865 2.403 -2.625 1.00 2.54 H new ATOM 0 HG23 VAL A 88 2.709 2.286 -4.394 1.00 2.54 H new ATOM 1349 N GLU A 89 6.591 -0.510 -2.523 1.00 72.53 N ATOM 1350 CA GLU A 89 7.544 -1.625 -2.420 1.00 33.43 C ATOM 1351 C GLU A 89 7.098 -2.574 -1.302 1.00 24.32 C ATOM 1352 O GLU A 89 6.540 -2.126 -0.297 1.00 20.24 O ATOM 1353 CB GLU A 89 8.972 -1.087 -2.133 1.00 43.55 C ATOM 1354 CG GLU A 89 10.069 -2.170 -2.149 1.00 33.12 C ATOM 1355 CD GLU A 89 11.468 -1.615 -1.879 1.00 11.33 C ATOM 1356 OE1 GLU A 89 12.099 -1.086 -2.827 1.00 30.24 O ATOM 1357 OE2 GLU A 89 11.943 -1.697 -0.721 1.00 1.01 O ATOM 0 H GLU A 89 6.202 -0.221 -1.625 1.00 72.53 H new ATOM 0 HA GLU A 89 7.566 -2.168 -3.365 1.00 33.43 H new ATOM 0 HB2 GLU A 89 9.217 -0.326 -2.874 1.00 43.55 H new ATOM 0 HB3 GLU A 89 8.975 -0.597 -1.159 1.00 43.55 H new ATOM 0 HG2 GLU A 89 9.835 -2.926 -1.400 1.00 33.12 H new ATOM 0 HG3 GLU A 89 10.064 -2.669 -3.118 1.00 33.12 H new ATOM 1364 N GLN A 90 7.342 -3.880 -1.487 1.00 42.34 N ATOM 1365 CA GLN A 90 7.153 -4.881 -0.436 1.00 52.41 C ATOM 1366 C GLN A 90 8.412 -4.910 0.439 1.00 43.24 C ATOM 1367 O GLN A 90 9.513 -5.181 -0.057 1.00 30.41 O ATOM 1368 CB GLN A 90 6.922 -6.299 -1.031 1.00 52.25 C ATOM 1369 CG GLN A 90 6.696 -7.399 0.045 1.00 53.53 C ATOM 1370 CD GLN A 90 6.740 -8.838 -0.483 1.00 2.04 C ATOM 1371 OE1 GLN A 90 7.460 -9.151 -1.428 1.00 0.44 O ATOM 1372 NE2 GLN A 90 5.974 -9.728 0.129 1.00 2.41 N ATOM 0 H GLN A 90 7.675 -4.268 -2.370 1.00 42.34 H new ATOM 0 HA GLN A 90 6.272 -4.610 0.146 1.00 52.41 H new ATOM 0 HB2 GLN A 90 6.057 -6.269 -1.694 1.00 52.25 H new ATOM 0 HB3 GLN A 90 7.783 -6.572 -1.642 1.00 52.25 H new ATOM 0 HG2 GLN A 90 7.454 -7.289 0.821 1.00 53.53 H new ATOM 0 HG3 GLN A 90 5.729 -7.231 0.518 1.00 53.53 H new ATOM 0 HE21 GLN A 90 5.385 -9.442 0.911 1.00 2.41 H new ATOM 0 HE22 GLN A 90 5.973 -10.699 -0.182 1.00 2.41 H new ATOM 1381 N VAL A 91 8.241 -4.609 1.728 1.00 33.42 N ATOM 1382 CA VAL A 91 9.279 -4.784 2.747 1.00 30.00 C ATOM 1383 C VAL A 91 8.713 -5.656 3.881 1.00 64.22 C ATOM 1384 O VAL A 91 7.850 -5.228 4.650 1.00 51.15 O ATOM 1385 CB VAL A 91 9.806 -3.405 3.306 1.00 21.12 C ATOM 1386 CG1 VAL A 91 10.733 -2.709 2.287 1.00 63.45 C ATOM 1387 CG2 VAL A 91 8.649 -2.469 3.694 1.00 21.52 C ATOM 0 H VAL A 91 7.368 -4.233 2.098 1.00 33.42 H new ATOM 0 HA VAL A 91 10.137 -5.277 2.290 1.00 30.00 H new ATOM 0 HB VAL A 91 10.380 -3.625 4.206 1.00 21.12 H new ATOM 0 HG11 VAL A 91 11.081 -1.762 2.699 1.00 63.45 H new ATOM 0 HG12 VAL A 91 11.590 -3.350 2.077 1.00 63.45 H new ATOM 0 HG13 VAL A 91 10.184 -2.523 1.364 1.00 63.45 H new ATOM 0 HG21 VAL A 91 9.052 -1.530 4.074 1.00 21.52 H new ATOM 0 HG22 VAL A 91 8.032 -2.270 2.818 1.00 21.52 H new ATOM 0 HG23 VAL A 91 8.041 -2.942 4.466 1.00 21.52 H new ATOM 1397 N MET A 92 9.198 -6.897 3.960 1.00 42.12 N ATOM 1398 CA MET A 92 8.789 -7.850 4.995 1.00 12.22 C ATOM 1399 C MET A 92 9.651 -7.634 6.239 1.00 51.34 C ATOM 1400 O MET A 92 10.797 -8.092 6.298 1.00 35.43 O ATOM 1401 CB MET A 92 8.904 -9.320 4.491 1.00 51.41 C ATOM 1402 CG MET A 92 7.931 -9.692 3.368 1.00 60.03 C ATOM 1403 SD MET A 92 8.058 -11.433 2.890 1.00 33.41 S ATOM 1404 CE MET A 92 7.707 -12.276 4.439 1.00 10.13 C ATOM 0 H MET A 92 9.887 -7.270 3.307 1.00 42.12 H new ATOM 0 HA MET A 92 7.742 -7.677 5.242 1.00 12.22 H new ATOM 0 HB2 MET A 92 9.922 -9.491 4.142 1.00 51.41 H new ATOM 0 HB3 MET A 92 8.739 -9.992 5.333 1.00 51.41 H new ATOM 0 HG2 MET A 92 6.911 -9.480 3.690 1.00 60.03 H new ATOM 0 HG3 MET A 92 8.127 -9.065 2.499 1.00 60.03 H new ATOM 0 HE1 MET A 92 7.142 -13.186 4.238 1.00 10.13 H new ATOM 0 HE2 MET A 92 8.644 -12.532 4.934 1.00 10.13 H new ATOM 0 HE3 MET A 92 7.122 -11.621 5.085 1.00 10.13 H new ATOM 1414 N ASP A 93 9.119 -6.870 7.206 1.00 52.20 N ATOM 1415 CA ASP A 93 9.732 -6.732 8.536 1.00 51.32 C ATOM 1416 C ASP A 93 9.212 -7.850 9.441 1.00 63.04 C ATOM 1417 O ASP A 93 8.456 -7.640 10.396 1.00 2.31 O ATOM 1418 CB ASP A 93 9.470 -5.315 9.118 1.00 11.03 C ATOM 1419 CG ASP A 93 10.212 -4.211 8.345 1.00 22.33 C ATOM 1420 OD1 ASP A 93 9.903 -4.004 7.153 1.00 4.32 O ATOM 1421 OD2 ASP A 93 11.118 -3.560 8.910 1.00 44.24 O ATOM 0 H ASP A 93 8.259 -6.335 7.090 1.00 52.20 H new ATOM 0 HA ASP A 93 10.815 -6.834 8.463 1.00 51.32 H new ATOM 0 HB2 ASP A 93 8.400 -5.110 9.098 1.00 11.03 H new ATOM 0 HB3 ASP A 93 9.780 -5.293 10.163 1.00 11.03 H new ATOM 1426 N ASP A 94 9.618 -9.066 9.069 1.00 53.22 N ATOM 1427 CA ASP A 94 9.312 -10.304 9.792 1.00 61.12 C ATOM 1428 C ASP A 94 10.542 -10.656 10.640 1.00 52.34 C ATOM 1429 O ASP A 94 10.455 -10.883 11.850 1.00 4.31 O ATOM 1430 CB ASP A 94 8.977 -11.417 8.757 1.00 13.13 C ATOM 1431 CG ASP A 94 8.697 -12.792 9.383 1.00 60.51 C ATOM 1432 OD1 ASP A 94 7.559 -13.031 9.827 1.00 43.12 O ATOM 1433 OD2 ASP A 94 9.610 -13.643 9.425 1.00 2.44 O ATOM 0 H ASP A 94 10.184 -9.222 8.235 1.00 53.22 H new ATOM 0 HA ASP A 94 8.449 -10.196 10.449 1.00 61.12 H new ATOM 0 HB2 ASP A 94 8.106 -11.109 8.178 1.00 13.13 H new ATOM 0 HB3 ASP A 94 9.808 -11.510 8.058 1.00 13.13 H new ATOM 1438 N GLU A 95 11.685 -10.712 9.950 1.00 64.15 N ATOM 1439 CA GLU A 95 13.036 -10.698 10.547 1.00 23.54 C ATOM 1440 C GLU A 95 13.732 -9.359 10.200 1.00 34.40 C ATOM 1441 O GLU A 95 14.656 -8.933 10.896 1.00 43.14 O ATOM 1442 CB GLU A 95 13.856 -11.915 10.021 1.00 24.45 C ATOM 1443 CG GLU A 95 15.261 -12.101 10.655 1.00 60.44 C ATOM 1444 CD GLU A 95 15.229 -12.209 12.197 1.00 2.11 C ATOM 1445 OE1 GLU A 95 14.942 -13.305 12.726 1.00 35.41 O ATOM 1446 OE2 GLU A 95 15.456 -11.192 12.883 1.00 31.42 O ATOM 0 H GLU A 95 11.703 -10.770 8.932 1.00 64.15 H new ATOM 0 HA GLU A 95 12.968 -10.782 11.632 1.00 23.54 H new ATOM 0 HB2 GLU A 95 13.277 -12.822 10.193 1.00 24.45 H new ATOM 0 HB3 GLU A 95 13.974 -11.812 8.942 1.00 24.45 H new ATOM 0 HG2 GLU A 95 15.721 -13.000 10.245 1.00 60.44 H new ATOM 0 HG3 GLU A 95 15.894 -11.261 10.370 1.00 60.44 H new ATOM 1453 N SER A 96 13.277 -8.722 9.090 1.00 60.54 N ATOM 1454 CA SER A 96 13.758 -7.393 8.636 1.00 32.10 C ATOM 1455 C SER A 96 15.257 -7.428 8.217 1.00 41.23 C ATOM 1456 O SER A 96 15.925 -6.390 8.142 1.00 61.00 O ATOM 1457 CB SER A 96 13.472 -6.310 9.728 1.00 41.24 C ATOM 1458 OG SER A 96 13.736 -4.999 9.258 1.00 25.51 O ATOM 0 H SER A 96 12.561 -9.120 8.482 1.00 60.54 H new ATOM 0 HA SER A 96 13.202 -7.118 7.740 1.00 32.10 H new ATOM 0 HB2 SER A 96 12.431 -6.379 10.043 1.00 41.24 H new ATOM 0 HB3 SER A 96 14.085 -6.510 10.607 1.00 41.24 H new ATOM 0 HG SER A 96 12.890 -4.523 9.123 1.00 25.51 H new ATOM 1464 N ASP A 97 15.751 -8.637 7.896 1.00 41.11 N ATOM 1465 CA ASP A 97 17.153 -8.880 7.537 1.00 14.31 C ATOM 1466 C ASP A 97 17.396 -8.519 6.045 1.00 62.24 C ATOM 1467 O ASP A 97 16.901 -9.249 5.164 1.00 62.40 O ATOM 1468 CB ASP A 97 17.516 -10.362 7.844 1.00 34.13 C ATOM 1469 CG ASP A 97 18.948 -10.731 7.422 1.00 21.43 C ATOM 1470 OD1 ASP A 97 19.908 -10.221 8.044 1.00 45.14 O ATOM 1471 OD2 ASP A 97 19.119 -11.520 6.464 1.00 51.31 O ATOM 1472 OXT ASP A 97 18.061 -7.498 5.765 1.00 37.74 O ATOM 0 H ASP A 97 15.178 -9.481 7.879 1.00 41.11 H new ATOM 0 HA ASP A 97 17.805 -8.242 8.134 1.00 14.31 H new ATOM 0 HB2 ASP A 97 17.400 -10.545 8.912 1.00 34.13 H new ATOM 0 HB3 ASP A 97 16.812 -11.016 7.330 1.00 34.13 H new TER 1477 ASP A 97