USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 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 17 THR OG1 : rot 180:sc= 0.231 USER MOD Set 1.2: A 20 GLN : amide:sc= -0.443 K(o=-0.21,f=-5!) USER MOD Set 2.1: A 12 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0.219 X(o=0.22,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= -0.106 (180deg=-0.539) USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0253) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -39:sc= 0.677 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0565 USER MOD Single : A 19 TYR OH : rot 130:sc= -0.629 USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0.154 (180deg=0.13) USER MOD Single : A 29 GLN : amide:sc= 0.0275 X(o=0.028,f=-0.069) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -0.0355 (180deg=-0.321) USER MOD Single : A 31 THR OG1 : rot -121:sc= 0.354 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -72:sc= 1.01 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 54 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.73) USER MOD Single : A 58 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.13) USER MOD Single : A 59 ASN : amide:sc= 0.274 K(o=0.27,f=1.2) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0376) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0764 K(o=-0.076,f=-6.4!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.595 24.983 -1.603 1.00 2.00 N ATOM 2 CA SER A 1 2.479 24.695 -2.772 1.00 34.22 C ATOM 3 C SER A 1 3.507 25.829 -2.986 1.00 61.44 C ATOM 4 O SER A 1 3.149 27.013 -2.900 1.00 74.21 O ATOM 5 CB SER A 1 1.626 24.506 -4.054 1.00 43.33 C ATOM 6 OG SER A 1 0.875 25.669 -4.360 1.00 3.53 O ATOM 0 H1 SER A 1 0.915 24.206 -1.482 1.00 2.00 H new ATOM 0 H2 SER A 1 2.174 25.073 -0.744 1.00 2.00 H new ATOM 0 H3 SER A 1 1.080 25.871 -1.768 1.00 2.00 H new ATOM 0 HA SER A 1 3.024 23.774 -2.564 1.00 34.22 H new ATOM 0 HB2 SER A 1 2.278 24.263 -4.893 1.00 43.33 H new ATOM 0 HB3 SER A 1 0.950 23.661 -3.920 1.00 43.33 H new ATOM 0 HG SER A 1 0.351 25.515 -5.174 1.00 3.53 H new ATOM 14 N HIS A 2 4.776 25.462 -3.276 1.00 73.25 N ATOM 15 CA HIS A 2 5.873 26.435 -3.519 1.00 13.53 C ATOM 16 C HIS A 2 7.096 25.760 -4.200 1.00 14.20 C ATOM 17 O HIS A 2 7.831 26.418 -4.948 1.00 11.34 O ATOM 18 CB HIS A 2 6.305 27.134 -2.191 1.00 13.24 C ATOM 19 CG HIS A 2 7.342 28.217 -2.383 1.00 53.33 C ATOM 20 ND1 HIS A 2 7.098 29.371 -3.101 1.00 45.14 N ATOM 21 CD2 HIS A 2 8.635 28.299 -1.988 1.00 12.44 C ATOM 22 CE1 HIS A 2 8.188 30.106 -3.139 1.00 43.50 C ATOM 23 NE2 HIS A 2 9.137 29.482 -2.471 1.00 21.42 N ATOM 0 H HIS A 2 5.071 24.488 -3.349 1.00 73.25 H new ATOM 0 HA HIS A 2 5.488 27.194 -4.200 1.00 13.53 H new ATOM 0 HB2 HIS A 2 5.425 27.567 -1.716 1.00 13.24 H new ATOM 0 HB3 HIS A 2 6.700 26.383 -1.507 1.00 13.24 H new ATOM 0 HD2 HIS A 2 9.172 27.568 -1.401 1.00 12.44 H new ATOM 0 HE1 HIS A 2 8.288 31.060 -3.634 1.00 43.50 H new ATOM 0 HE2 HIS A 2 10.089 29.822 -2.335 1.00 21.42 H new ATOM 32 N MET A 3 7.308 24.452 -3.925 1.00 52.11 N ATOM 33 CA MET A 3 8.464 23.685 -4.464 1.00 71.15 C ATOM 34 C MET A 3 8.405 23.558 -6.012 1.00 64.13 C ATOM 35 O MET A 3 7.327 23.404 -6.603 1.00 72.10 O ATOM 36 CB MET A 3 8.541 22.278 -3.799 1.00 64.13 C ATOM 37 CG MET A 3 7.368 21.342 -4.116 1.00 43.32 C ATOM 38 SD MET A 3 7.499 19.743 -3.279 1.00 14.13 S ATOM 39 CE MET A 3 6.060 18.873 -3.906 1.00 61.10 C ATOM 0 H MET A 3 6.691 23.900 -3.329 1.00 52.11 H new ATOM 0 HA MET A 3 9.369 24.240 -4.219 1.00 71.15 H new ATOM 0 HB2 MET A 3 9.466 21.795 -4.114 1.00 64.13 H new ATOM 0 HB3 MET A 3 8.600 22.407 -2.718 1.00 64.13 H new ATOM 0 HG2 MET A 3 6.435 21.824 -3.824 1.00 43.32 H new ATOM 0 HG3 MET A 3 7.319 21.180 -5.193 1.00 43.32 H new ATOM 0 HE1 MET A 3 6.020 17.875 -3.471 1.00 61.10 H new ATOM 0 HE2 MET A 3 5.157 19.422 -3.638 1.00 61.10 H new ATOM 0 HE3 MET A 3 6.127 18.793 -4.991 1.00 61.10 H new ATOM 49 N SER A 4 9.577 23.671 -6.650 1.00 15.43 N ATOM 50 CA SER A 4 9.730 23.536 -8.116 1.00 12.13 C ATOM 51 C SER A 4 10.100 22.088 -8.505 1.00 64.30 C ATOM 52 O SER A 4 9.635 21.580 -9.533 1.00 15.01 O ATOM 53 CB SER A 4 10.809 24.516 -8.633 1.00 62.13 C ATOM 54 OG SER A 4 10.529 25.854 -8.249 1.00 63.13 O ATOM 0 H SER A 4 10.455 23.860 -6.166 1.00 15.43 H new ATOM 0 HA SER A 4 8.774 23.780 -8.579 1.00 12.13 H new ATOM 0 HB2 SER A 4 11.784 24.222 -8.244 1.00 62.13 H new ATOM 0 HB3 SER A 4 10.867 24.454 -9.720 1.00 62.13 H new ATOM 0 HG SER A 4 11.231 26.446 -8.591 1.00 63.13 H new ATOM 60 N ASN A 5 10.962 21.455 -7.671 1.00 2.11 N ATOM 61 CA ASN A 5 11.398 20.042 -7.820 1.00 12.12 C ATOM 62 C ASN A 5 12.202 19.806 -9.138 1.00 33.11 C ATOM 63 O ASN A 5 11.618 19.672 -10.222 1.00 61.34 O ATOM 64 CB ASN A 5 10.179 19.070 -7.706 1.00 14.12 C ATOM 65 CG ASN A 5 10.546 17.589 -7.859 1.00 23.33 C ATOM 66 OD1 ASN A 5 10.873 16.905 -6.896 1.00 74.24 O ATOM 67 ND2 ASN A 5 10.486 17.084 -9.072 1.00 52.33 N ATOM 0 H ASN A 5 11.380 21.918 -6.864 1.00 2.11 H new ATOM 0 HA ASN A 5 12.081 19.824 -6.999 1.00 12.12 H new ATOM 0 HB2 ASN A 5 9.700 19.217 -6.738 1.00 14.12 H new ATOM 0 HB3 ASN A 5 9.445 19.333 -8.468 1.00 14.12 H new ATOM 0 HD21 ASN A 5 10.714 16.102 -9.228 1.00 52.33 H new ATOM 0 HD22 ASN A 5 10.211 17.674 -9.857 1.00 52.33 H new ATOM 74 N LYS A 6 13.543 19.759 -9.023 1.00 74.42 N ATOM 75 CA LYS A 6 14.454 19.495 -10.165 1.00 32.42 C ATOM 76 C LYS A 6 14.377 17.992 -10.543 1.00 22.53 C ATOM 77 O LYS A 6 15.115 17.156 -9.999 1.00 13.22 O ATOM 78 CB LYS A 6 15.917 19.939 -9.802 1.00 64.03 C ATOM 79 CG LYS A 6 16.863 20.356 -10.983 1.00 5.31 C ATOM 80 CD LYS A 6 17.370 19.192 -11.896 1.00 71.22 C ATOM 81 CE LYS A 6 16.514 18.964 -13.165 1.00 44.11 C ATOM 82 NZ LYS A 6 16.450 20.173 -14.031 1.00 64.11 N ATOM 0 H LYS A 6 14.030 19.902 -8.138 1.00 74.42 H new ATOM 0 HA LYS A 6 14.147 20.078 -11.033 1.00 32.42 H new ATOM 0 HB2 LYS A 6 15.852 20.779 -9.111 1.00 64.03 H new ATOM 0 HB3 LYS A 6 16.393 19.120 -9.263 1.00 64.03 H new ATOM 0 HG2 LYS A 6 16.336 21.078 -11.607 1.00 5.31 H new ATOM 0 HG3 LYS A 6 17.730 20.868 -10.565 1.00 5.31 H new ATOM 0 HD2 LYS A 6 18.397 19.401 -12.196 1.00 71.22 H new ATOM 0 HD3 LYS A 6 17.390 18.271 -11.314 1.00 71.22 H new ATOM 0 HE2 LYS A 6 16.929 18.133 -13.736 1.00 44.11 H new ATOM 0 HE3 LYS A 6 15.504 18.676 -12.872 1.00 44.11 H new ATOM 0 HZ1 LYS A 6 16.189 19.894 -14.998 1.00 64.11 H new ATOM 0 HZ2 LYS A 6 15.737 20.831 -13.657 1.00 64.11 H new ATOM 0 HZ3 LYS A 6 17.379 20.640 -14.044 1.00 64.11 H new ATOM 96 N GLY A 7 13.453 17.669 -11.462 1.00 33.11 N ATOM 97 CA GLY A 7 13.196 16.290 -11.905 1.00 72.13 C ATOM 98 C GLY A 7 11.702 15.981 -11.936 1.00 54.32 C ATOM 99 O GLY A 7 11.201 15.249 -11.076 1.00 65.11 O ATOM 0 H GLY A 7 12.860 18.361 -11.921 1.00 33.11 H new ATOM 0 HA2 GLY A 7 13.620 16.141 -12.898 1.00 72.13 H new ATOM 0 HA3 GLY A 7 13.699 15.592 -11.236 1.00 72.13 H new ATOM 103 N LYS A 8 11.002 16.560 -12.933 1.00 41.42 N ATOM 104 CA LYS A 8 9.528 16.460 -13.087 1.00 71.10 C ATOM 105 C LYS A 8 9.061 14.985 -13.140 1.00 20.21 C ATOM 106 O LYS A 8 8.163 14.585 -12.384 1.00 1.33 O ATOM 107 CB LYS A 8 9.094 17.248 -14.372 1.00 55.05 C ATOM 108 CG LYS A 8 7.569 17.527 -14.545 1.00 74.40 C ATOM 109 CD LYS A 8 6.752 16.331 -15.099 1.00 12.55 C ATOM 110 CE LYS A 8 5.241 16.618 -15.142 1.00 10.05 C ATOM 111 NZ LYS A 8 4.916 17.756 -16.038 1.00 70.14 N ATOM 0 H LYS A 8 11.445 17.117 -13.664 1.00 41.42 H new ATOM 0 HA LYS A 8 9.047 16.905 -12.216 1.00 71.10 H new ATOM 0 HB2 LYS A 8 9.617 18.204 -14.377 1.00 55.05 H new ATOM 0 HB3 LYS A 8 9.439 16.692 -15.244 1.00 55.05 H new ATOM 0 HG2 LYS A 8 7.154 17.817 -13.580 1.00 74.40 H new ATOM 0 HG3 LYS A 8 7.442 18.378 -15.215 1.00 74.40 H new ATOM 0 HD2 LYS A 8 7.101 16.091 -16.103 1.00 12.55 H new ATOM 0 HD3 LYS A 8 6.934 15.453 -14.479 1.00 12.55 H new ATOM 0 HE2 LYS A 8 4.712 15.727 -15.481 1.00 10.05 H new ATOM 0 HE3 LYS A 8 4.885 16.836 -14.135 1.00 10.05 H new ATOM 0 HZ1 LYS A 8 3.884 17.872 -16.091 1.00 70.14 H new ATOM 0 HZ2 LYS A 8 5.344 18.626 -15.663 1.00 70.14 H new ATOM 0 HZ3 LYS A 8 5.292 17.567 -16.989 1.00 70.14 H new ATOM 125 N LYS A 9 9.689 14.208 -14.046 1.00 45.42 N ATOM 126 CA LYS A 9 9.392 12.777 -14.265 1.00 54.10 C ATOM 127 C LYS A 9 7.917 12.556 -14.719 1.00 33.01 C ATOM 128 O LYS A 9 7.002 12.425 -13.895 1.00 50.32 O ATOM 129 CB LYS A 9 9.740 11.923 -13.006 1.00 74.40 C ATOM 130 CG LYS A 9 11.219 12.001 -12.549 1.00 63.43 C ATOM 131 CD LYS A 9 12.218 11.467 -13.612 1.00 41.02 C ATOM 132 CE LYS A 9 12.024 9.967 -13.931 1.00 44.22 C ATOM 133 NZ LYS A 9 12.922 9.512 -15.022 1.00 52.41 N ATOM 0 H LYS A 9 10.427 14.562 -14.655 1.00 45.42 H new ATOM 0 HA LYS A 9 10.032 12.435 -15.078 1.00 54.10 H new ATOM 0 HB2 LYS A 9 9.103 12.243 -12.181 1.00 74.40 H new ATOM 0 HB3 LYS A 9 9.494 10.881 -13.213 1.00 74.40 H new ATOM 0 HG2 LYS A 9 11.466 13.037 -12.316 1.00 63.43 H new ATOM 0 HG3 LYS A 9 11.339 11.430 -11.628 1.00 63.43 H new ATOM 0 HD2 LYS A 9 12.105 12.044 -14.530 1.00 41.02 H new ATOM 0 HD3 LYS A 9 13.236 11.628 -13.257 1.00 41.02 H new ATOM 0 HE2 LYS A 9 12.215 9.378 -13.034 1.00 44.22 H new ATOM 0 HE3 LYS A 9 10.987 9.788 -14.216 1.00 44.22 H new ATOM 0 HZ1 LYS A 9 12.761 8.501 -15.205 1.00 52.41 H new ATOM 0 HZ2 LYS A 9 12.723 10.057 -15.885 1.00 52.41 H new ATOM 0 HZ3 LYS A 9 13.912 9.659 -14.741 1.00 52.41 H new ATOM 147 N ARG A 10 7.718 12.508 -16.053 1.00 32.25 N ATOM 148 CA ARG A 10 6.380 12.446 -16.709 1.00 4.21 C ATOM 149 C ARG A 10 5.618 11.109 -16.455 1.00 53.20 C ATOM 150 O ARG A 10 4.408 11.033 -16.697 1.00 42.31 O ATOM 151 CB ARG A 10 6.548 12.650 -18.247 1.00 74.04 C ATOM 152 CG ARG A 10 7.367 11.534 -18.951 1.00 75.10 C ATOM 153 CD ARG A 10 7.384 11.649 -20.489 1.00 10.55 C ATOM 154 NE ARG A 10 8.121 10.524 -21.114 1.00 75.12 N ATOM 155 CZ ARG A 10 7.716 9.820 -22.154 1.00 20.22 C ATOM 156 NH1 ARG A 10 6.566 10.037 -22.720 1.00 42.51 N ATOM 157 NH2 ARG A 10 8.462 8.868 -22.596 1.00 61.34 N ATOM 0 H ARG A 10 8.489 12.511 -16.721 1.00 32.25 H new ATOM 0 HA ARG A 10 5.781 13.241 -16.265 1.00 4.21 H new ATOM 0 HB2 ARG A 10 5.560 12.704 -18.705 1.00 74.04 H new ATOM 0 HB3 ARG A 10 7.035 13.609 -18.424 1.00 74.04 H new ATOM 0 HG2 ARG A 10 8.393 11.562 -18.583 1.00 75.10 H new ATOM 0 HG3 ARG A 10 6.955 10.564 -18.673 1.00 75.10 H new ATOM 0 HD2 ARG A 10 6.361 11.667 -20.864 1.00 10.55 H new ATOM 0 HD3 ARG A 10 7.846 12.593 -20.778 1.00 10.55 H new ATOM 0 HE ARG A 10 9.020 10.272 -20.704 1.00 75.12 H new ATOM 0 HH11 ARG A 10 5.951 10.767 -22.361 1.00 42.51 H new ATOM 0 HH12 ARG A 10 6.279 9.477 -23.523 1.00 42.51 H new ATOM 0 HH21 ARG A 10 9.353 8.666 -22.143 1.00 61.34 H new ATOM 0 HH22 ARG A 10 8.162 8.316 -23.399 1.00 61.34 H new ATOM 171 N ARG A 11 6.342 10.071 -15.991 1.00 74.11 N ATOM 172 CA ARG A 11 5.819 8.688 -15.896 1.00 22.32 C ATOM 173 C ARG A 11 4.736 8.524 -14.782 1.00 55.43 C ATOM 174 O ARG A 11 3.536 8.473 -15.074 1.00 0.42 O ATOM 175 CB ARG A 11 6.996 7.697 -15.667 1.00 52.22 C ATOM 176 CG ARG A 11 6.584 6.200 -15.633 1.00 72.14 C ATOM 177 CD ARG A 11 7.734 5.268 -15.207 1.00 32.54 C ATOM 178 NE ARG A 11 7.328 3.847 -15.216 1.00 54.51 N ATOM 179 CZ ARG A 11 7.701 2.937 -14.341 1.00 53.31 C ATOM 180 NH1 ARG A 11 8.402 3.256 -13.294 1.00 13.11 N ATOM 181 NH2 ARG A 11 7.334 1.708 -14.510 1.00 53.32 N ATOM 0 H ARG A 11 7.306 10.165 -15.671 1.00 74.11 H new ATOM 0 HA ARG A 11 5.325 8.461 -16.841 1.00 22.32 H new ATOM 0 HB2 ARG A 11 7.733 7.840 -16.458 1.00 52.22 H new ATOM 0 HB3 ARG A 11 7.486 7.947 -14.726 1.00 52.22 H new ATOM 0 HG2 ARG A 11 5.748 6.075 -14.945 1.00 72.14 H new ATOM 0 HG3 ARG A 11 6.231 5.904 -16.621 1.00 72.14 H new ATOM 0 HD2 ARG A 11 8.581 5.407 -15.879 1.00 32.54 H new ATOM 0 HD3 ARG A 11 8.071 5.542 -14.207 1.00 32.54 H new ATOM 0 HE ARG A 11 6.705 3.545 -15.965 1.00 54.51 H new ATOM 0 HH11 ARG A 11 8.673 4.227 -13.138 1.00 13.11 H new ATOM 0 HH12 ARG A 11 8.681 2.535 -12.628 1.00 13.11 H new ATOM 0 HH21 ARG A 11 6.762 1.453 -15.315 1.00 53.32 H new ATOM 0 HH22 ARG A 11 7.617 0.994 -13.839 1.00 53.32 H new ATOM 195 N ASN A 12 5.180 8.445 -13.510 1.00 34.23 N ATOM 196 CA ASN A 12 4.294 8.166 -12.352 1.00 1.22 C ATOM 197 C ASN A 12 3.776 9.475 -11.715 1.00 43.13 C ATOM 198 O ASN A 12 4.530 10.446 -11.555 1.00 4.04 O ATOM 199 CB ASN A 12 5.056 7.319 -11.287 1.00 31.23 C ATOM 200 CG ASN A 12 4.197 6.916 -10.076 1.00 21.11 C ATOM 201 OD1 ASN A 12 2.999 6.675 -10.198 1.00 54.40 O ATOM 202 ND2 ASN A 12 4.796 6.859 -8.897 1.00 0.53 N ATOM 0 H ASN A 12 6.159 8.572 -13.254 1.00 34.23 H new ATOM 0 HA ASN A 12 3.434 7.602 -12.713 1.00 1.22 H new ATOM 0 HB2 ASN A 12 5.441 6.417 -11.763 1.00 31.23 H new ATOM 0 HB3 ASN A 12 5.918 7.886 -10.935 1.00 31.23 H new ATOM 0 HD21 ASN A 12 4.261 6.611 -8.065 1.00 0.53 H new ATOM 0 HD22 ASN A 12 5.792 7.063 -8.821 1.00 0.53 H new ATOM 209 N ARG A 13 2.487 9.480 -11.344 1.00 52.41 N ATOM 210 CA ARG A 13 1.857 10.584 -10.596 1.00 4.52 C ATOM 211 C ARG A 13 2.091 10.409 -9.073 1.00 42.23 C ATOM 212 O ARG A 13 1.190 9.991 -8.323 1.00 74.40 O ATOM 213 CB ARG A 13 0.342 10.665 -10.948 1.00 13.15 C ATOM 214 CG ARG A 13 0.065 11.058 -12.416 1.00 41.51 C ATOM 215 CD ARG A 13 -1.415 10.909 -12.812 1.00 10.43 C ATOM 216 NE ARG A 13 -1.675 11.398 -14.179 1.00 72.41 N ATOM 217 CZ ARG A 13 -2.727 11.107 -14.916 1.00 0.32 C ATOM 218 NH1 ARG A 13 -3.655 10.300 -14.489 1.00 64.24 N ATOM 219 NH2 ARG A 13 -2.835 11.639 -16.087 1.00 44.04 N ATOM 0 H ARG A 13 1.846 8.715 -11.555 1.00 52.41 H new ATOM 0 HA ARG A 13 2.317 11.528 -10.886 1.00 4.52 H new ATOM 0 HB2 ARG A 13 -0.121 9.699 -10.746 1.00 13.15 H new ATOM 0 HB3 ARG A 13 -0.136 11.391 -10.290 1.00 13.15 H new ATOM 0 HG2 ARG A 13 0.375 12.091 -12.574 1.00 41.51 H new ATOM 0 HG3 ARG A 13 0.675 10.438 -13.073 1.00 41.51 H new ATOM 0 HD2 ARG A 13 -1.705 9.861 -12.741 1.00 10.43 H new ATOM 0 HD3 ARG A 13 -2.036 11.460 -12.106 1.00 10.43 H new ATOM 0 HE ARG A 13 -0.977 12.017 -14.591 1.00 72.41 H new ATOM 0 HH11 ARG A 13 -3.577 9.877 -13.564 1.00 64.24 H new ATOM 0 HH12 ARG A 13 -4.460 10.091 -15.079 1.00 64.24 H new ATOM 0 HH21 ARG A 13 -2.112 12.273 -16.428 1.00 44.04 H new ATOM 0 HH22 ARG A 13 -3.643 11.425 -16.672 1.00 44.04 H new ATOM 233 N THR A 14 3.341 10.681 -8.642 1.00 75.55 N ATOM 234 CA THR A 14 3.746 10.653 -7.220 1.00 11.14 C ATOM 235 C THR A 14 3.111 11.850 -6.472 1.00 43.00 C ATOM 236 O THR A 14 3.678 12.947 -6.412 1.00 50.13 O ATOM 237 CB THR A 14 5.316 10.663 -7.073 1.00 31.13 C ATOM 238 OG1 THR A 14 5.878 9.567 -7.824 1.00 34.54 O ATOM 239 CG2 THR A 14 5.773 10.555 -5.602 1.00 13.31 C ATOM 0 H THR A 14 4.102 10.928 -9.275 1.00 75.55 H new ATOM 0 HA THR A 14 3.385 9.727 -6.773 1.00 11.14 H new ATOM 0 HB THR A 14 5.670 11.618 -7.460 1.00 31.13 H new ATOM 0 HG1 THR A 14 6.854 9.575 -7.733 1.00 34.54 H new ATOM 0 HG21 THR A 14 6.862 10.566 -5.558 1.00 13.31 H new ATOM 0 HG22 THR A 14 5.378 11.398 -5.035 1.00 13.31 H new ATOM 0 HG23 THR A 14 5.402 9.624 -5.173 1.00 13.31 H new ATOM 247 N THR A 15 1.887 11.627 -5.970 1.00 74.50 N ATOM 248 CA THR A 15 1.065 12.656 -5.277 1.00 31.44 C ATOM 249 C THR A 15 0.960 12.354 -3.758 1.00 22.13 C ATOM 250 O THR A 15 0.099 12.895 -3.051 1.00 23.33 O ATOM 251 CB THR A 15 -0.368 12.725 -5.929 1.00 14.51 C ATOM 252 OG1 THR A 15 -1.155 13.778 -5.340 1.00 22.14 O ATOM 253 CG2 THR A 15 -1.133 11.386 -5.821 1.00 1.31 C ATOM 0 H THR A 15 1.426 10.719 -6.030 1.00 74.50 H new ATOM 0 HA THR A 15 1.553 13.624 -5.391 1.00 31.44 H new ATOM 0 HB THR A 15 -0.212 12.937 -6.987 1.00 14.51 H new ATOM 0 HG1 THR A 15 -0.983 13.815 -4.376 1.00 22.14 H new ATOM 0 HG21 THR A 15 -2.114 11.489 -6.286 1.00 1.31 H new ATOM 0 HG22 THR A 15 -0.570 10.603 -6.330 1.00 1.31 H new ATOM 0 HG23 THR A 15 -1.255 11.120 -4.771 1.00 1.31 H new ATOM 261 N PHE A 16 1.883 11.513 -3.264 1.00 43.30 N ATOM 262 CA PHE A 16 1.881 11.028 -1.870 1.00 72.21 C ATOM 263 C PHE A 16 2.380 12.131 -0.899 1.00 33.44 C ATOM 264 O PHE A 16 3.477 12.675 -1.076 1.00 34.22 O ATOM 265 CB PHE A 16 2.763 9.760 -1.749 1.00 11.15 C ATOM 266 CG PHE A 16 2.460 8.687 -2.795 1.00 12.31 C ATOM 267 CD1 PHE A 16 1.242 8.011 -2.797 1.00 53.01 C ATOM 268 CD2 PHE A 16 3.393 8.358 -3.782 1.00 41.52 C ATOM 269 CE1 PHE A 16 0.969 7.043 -3.750 1.00 12.31 C ATOM 270 CE2 PHE A 16 3.119 7.392 -4.733 1.00 60.41 C ATOM 271 CZ PHE A 16 1.904 6.736 -4.716 1.00 75.34 C ATOM 0 H PHE A 16 2.656 11.148 -3.821 1.00 43.30 H new ATOM 0 HA PHE A 16 0.857 10.775 -1.594 1.00 72.21 H new ATOM 0 HB2 PHE A 16 3.810 10.050 -1.834 1.00 11.15 H new ATOM 0 HB3 PHE A 16 2.630 9.332 -0.756 1.00 11.15 H new ATOM 0 HD1 PHE A 16 0.501 8.244 -2.046 1.00 53.01 H new ATOM 0 HD2 PHE A 16 4.345 8.867 -3.802 1.00 41.52 H new ATOM 0 HE1 PHE A 16 0.020 6.527 -3.736 1.00 12.31 H new ATOM 0 HE2 PHE A 16 3.854 7.151 -5.487 1.00 60.41 H new ATOM 0 HZ PHE A 16 1.686 5.983 -5.459 1.00 75.34 H new ATOM 281 N THR A 17 1.555 12.454 0.114 1.00 22.11 N ATOM 282 CA THR A 17 1.838 13.533 1.092 1.00 62.50 C ATOM 283 C THR A 17 2.943 13.121 2.113 1.00 64.45 C ATOM 284 O THR A 17 4.120 13.419 1.899 1.00 1.11 O ATOM 285 CB THR A 17 0.522 13.965 1.825 1.00 65.41 C ATOM 286 OG1 THR A 17 -0.108 12.803 2.400 1.00 44.34 O ATOM 287 CG2 THR A 17 -0.475 14.667 0.878 1.00 1.55 C ATOM 0 H THR A 17 0.670 11.976 0.282 1.00 22.11 H new ATOM 0 HA THR A 17 2.223 14.389 0.538 1.00 62.50 H new ATOM 0 HB THR A 17 0.799 14.679 2.601 1.00 65.41 H new ATOM 0 HG1 THR A 17 -0.931 13.071 2.860 1.00 44.34 H new ATOM 0 HG21 THR A 17 -1.370 14.946 1.434 1.00 1.55 H new ATOM 0 HG22 THR A 17 -0.013 15.562 0.461 1.00 1.55 H new ATOM 0 HG23 THR A 17 -0.747 13.989 0.069 1.00 1.55 H new ATOM 295 N SER A 18 2.567 12.420 3.204 1.00 14.43 N ATOM 296 CA SER A 18 3.526 11.912 4.222 1.00 54.42 C ATOM 297 C SER A 18 2.907 10.710 4.959 1.00 22.32 C ATOM 298 O SER A 18 3.518 9.643 5.052 1.00 50.42 O ATOM 299 CB SER A 18 3.931 13.022 5.233 1.00 63.34 C ATOM 300 OG SER A 18 2.828 13.462 6.015 1.00 42.41 O ATOM 0 H SER A 18 1.595 12.188 3.408 1.00 14.43 H new ATOM 0 HA SER A 18 4.434 11.595 3.709 1.00 54.42 H new ATOM 0 HB2 SER A 18 4.714 12.644 5.891 1.00 63.34 H new ATOM 0 HB3 SER A 18 4.352 13.869 4.691 1.00 63.34 H new ATOM 0 HG SER A 18 3.125 14.158 6.638 1.00 42.41 H new ATOM 306 N TYR A 19 1.663 10.900 5.458 1.00 34.25 N ATOM 307 CA TYR A 19 0.862 9.825 6.086 1.00 34.15 C ATOM 308 C TYR A 19 0.517 8.715 5.058 1.00 23.30 C ATOM 309 O TYR A 19 0.381 7.543 5.430 1.00 13.21 O ATOM 310 CB TYR A 19 -0.433 10.408 6.722 1.00 62.15 C ATOM 311 CG TYR A 19 -1.364 9.355 7.347 1.00 53.43 C ATOM 312 CD1 TYR A 19 -1.079 8.790 8.593 1.00 5.13 C ATOM 313 CD2 TYR A 19 -2.509 8.899 6.676 1.00 3.34 C ATOM 314 CE1 TYR A 19 -1.900 7.825 9.150 1.00 71.51 C ATOM 315 CE2 TYR A 19 -3.328 7.933 7.228 1.00 63.34 C ATOM 316 CZ TYR A 19 -3.023 7.399 8.466 1.00 63.24 C ATOM 317 OH TYR A 19 -3.835 6.428 9.016 1.00 33.15 O ATOM 0 H TYR A 19 1.188 11.802 5.436 1.00 34.25 H new ATOM 0 HA TYR A 19 1.461 9.375 6.877 1.00 34.15 H new ATOM 0 HB2 TYR A 19 -0.153 11.129 7.490 1.00 62.15 H new ATOM 0 HB3 TYR A 19 -0.985 10.955 5.957 1.00 62.15 H new ATOM 0 HD1 TYR A 19 -0.201 9.113 9.132 1.00 5.13 H new ATOM 0 HD2 TYR A 19 -2.755 9.311 5.709 1.00 3.34 H new ATOM 0 HE1 TYR A 19 -1.664 7.406 10.117 1.00 71.51 H new ATOM 0 HE2 TYR A 19 -4.204 7.596 6.694 1.00 63.34 H new ATOM 0 HH TYR A 19 -4.767 6.729 8.991 1.00 33.15 H new ATOM 327 N GLN A 20 0.363 9.097 3.772 1.00 0.34 N ATOM 328 CA GLN A 20 0.177 8.120 2.674 1.00 4.50 C ATOM 329 C GLN A 20 1.374 7.140 2.605 1.00 33.32 C ATOM 330 O GLN A 20 1.182 5.932 2.663 1.00 53.24 O ATOM 331 CB GLN A 20 -0.042 8.835 1.310 1.00 42.41 C ATOM 332 CG GLN A 20 -1.282 9.752 1.283 1.00 51.54 C ATOM 333 CD GLN A 20 -1.601 10.316 -0.104 1.00 25.22 C ATOM 334 OE1 GLN A 20 -1.124 11.372 -0.486 1.00 73.14 O ATOM 335 NE2 GLN A 20 -2.442 9.637 -0.853 1.00 63.34 N ATOM 0 H GLN A 20 0.364 10.071 3.468 1.00 0.34 H new ATOM 0 HA GLN A 20 -0.722 7.543 2.888 1.00 4.50 H new ATOM 0 HB2 GLN A 20 0.842 9.427 1.074 1.00 42.41 H new ATOM 0 HB3 GLN A 20 -0.140 8.083 0.527 1.00 42.41 H new ATOM 0 HG2 GLN A 20 -2.145 9.192 1.645 1.00 51.54 H new ATOM 0 HG3 GLN A 20 -1.126 10.580 1.975 1.00 51.54 H new ATOM 0 HE21 GLN A 20 -2.829 8.756 -0.515 1.00 63.34 H new ATOM 0 HE22 GLN A 20 -2.707 9.991 -1.772 1.00 63.34 H new ATOM 344 N LEU A 21 2.609 7.682 2.555 1.00 5.22 N ATOM 345 CA LEU A 21 3.851 6.862 2.546 1.00 24.20 C ATOM 346 C LEU A 21 4.094 6.137 3.893 1.00 41.34 C ATOM 347 O LEU A 21 4.724 5.079 3.911 1.00 64.11 O ATOM 348 CB LEU A 21 5.088 7.725 2.173 1.00 34.25 C ATOM 349 CG LEU A 21 5.125 8.239 0.702 1.00 30.04 C ATOM 350 CD1 LEU A 21 6.380 9.096 0.438 1.00 2.04 C ATOM 351 CD2 LEU A 21 5.015 7.068 -0.306 1.00 60.25 C ATOM 0 H LEU A 21 2.779 8.687 2.520 1.00 5.22 H new ATOM 0 HA LEU A 21 3.709 6.096 1.783 1.00 24.20 H new ATOM 0 HB2 LEU A 21 5.125 8.585 2.842 1.00 34.25 H new ATOM 0 HB3 LEU A 21 5.988 7.139 2.358 1.00 34.25 H new ATOM 0 HG LEU A 21 4.256 8.880 0.555 1.00 30.04 H new ATOM 0 HD11 LEU A 21 6.375 9.439 -0.597 1.00 2.04 H new ATOM 0 HD12 LEU A 21 6.379 9.958 1.106 1.00 2.04 H new ATOM 0 HD13 LEU A 21 7.273 8.498 0.618 1.00 2.04 H new ATOM 0 HD21 LEU A 21 5.044 7.459 -1.323 1.00 60.25 H new ATOM 0 HD22 LEU A 21 5.848 6.381 -0.158 1.00 60.25 H new ATOM 0 HD23 LEU A 21 4.076 6.539 -0.147 1.00 60.25 H new ATOM 363 N GLU A 22 3.606 6.726 5.013 1.00 13.42 N ATOM 364 CA GLU A 22 3.621 6.069 6.350 1.00 70.42 C ATOM 365 C GLU A 22 2.871 4.723 6.304 1.00 74.43 C ATOM 366 O GLU A 22 3.433 3.690 6.633 1.00 33.10 O ATOM 367 CB GLU A 22 2.997 6.996 7.449 1.00 4.05 C ATOM 368 CG GLU A 22 3.976 7.999 8.089 1.00 24.24 C ATOM 369 CD GLU A 22 5.049 7.314 8.956 1.00 1.14 C ATOM 370 OE1 GLU A 22 4.675 6.580 9.906 1.00 61.40 O ATOM 371 OE2 GLU A 22 6.259 7.495 8.694 1.00 75.02 O ATOM 0 H GLU A 22 3.195 7.659 5.019 1.00 13.42 H new ATOM 0 HA GLU A 22 4.662 5.884 6.613 1.00 70.42 H new ATOM 0 HB2 GLU A 22 2.169 7.551 7.007 1.00 4.05 H new ATOM 0 HB3 GLU A 22 2.577 6.369 8.236 1.00 4.05 H new ATOM 0 HG2 GLU A 22 4.464 8.576 7.303 1.00 24.24 H new ATOM 0 HG3 GLU A 22 3.416 8.705 8.702 1.00 24.24 H new ATOM 378 N GLU A 23 1.615 4.766 5.851 1.00 71.32 N ATOM 379 CA GLU A 23 0.745 3.583 5.766 1.00 45.34 C ATOM 380 C GLU A 23 1.218 2.571 4.697 1.00 60.14 C ATOM 381 O GLU A 23 1.250 1.376 4.956 1.00 4.00 O ATOM 382 CB GLU A 23 -0.698 4.029 5.464 1.00 43.02 C ATOM 383 CG GLU A 23 -1.380 4.809 6.592 1.00 33.32 C ATOM 384 CD GLU A 23 -1.580 3.962 7.857 1.00 2.34 C ATOM 385 OE1 GLU A 23 -2.510 3.128 7.873 1.00 10.13 O ATOM 386 OE2 GLU A 23 -0.805 4.110 8.835 1.00 61.14 O ATOM 0 H GLU A 23 1.168 5.625 5.531 1.00 71.32 H new ATOM 0 HA GLU A 23 0.791 3.073 6.728 1.00 45.34 H new ATOM 0 HB2 GLU A 23 -0.692 4.647 4.566 1.00 43.02 H new ATOM 0 HB3 GLU A 23 -1.296 3.146 5.239 1.00 43.02 H new ATOM 0 HG2 GLU A 23 -0.780 5.686 6.837 1.00 33.32 H new ATOM 0 HG3 GLU A 23 -2.348 5.172 6.245 1.00 33.32 H new ATOM 393 N LEU A 24 1.568 3.065 3.494 1.00 50.50 N ATOM 394 CA LEU A 24 2.059 2.220 2.371 1.00 34.22 C ATOM 395 C LEU A 24 3.295 1.374 2.790 1.00 60.05 C ATOM 396 O LEU A 24 3.309 0.146 2.622 1.00 10.22 O ATOM 397 CB LEU A 24 2.399 3.114 1.147 1.00 2.32 C ATOM 398 CG LEU A 24 1.190 3.754 0.392 1.00 72.41 C ATOM 399 CD1 LEU A 24 1.675 4.816 -0.618 1.00 71.30 C ATOM 400 CD2 LEU A 24 0.331 2.677 -0.304 1.00 13.12 C ATOM 0 H LEU A 24 1.521 4.058 3.266 1.00 50.50 H new ATOM 0 HA LEU A 24 1.265 1.525 2.097 1.00 34.22 H new ATOM 0 HB2 LEU A 24 3.055 3.917 1.483 1.00 2.32 H new ATOM 0 HB3 LEU A 24 2.967 2.515 0.435 1.00 2.32 H new ATOM 0 HG LEU A 24 0.560 4.251 1.129 1.00 72.41 H new ATOM 0 HD11 LEU A 24 0.816 5.248 -1.132 1.00 71.30 H new ATOM 0 HD12 LEU A 24 2.214 5.602 -0.089 1.00 71.30 H new ATOM 0 HD13 LEU A 24 2.337 4.349 -1.347 1.00 71.30 H new ATOM 0 HD21 LEU A 24 -0.502 3.154 -0.820 1.00 13.12 H new ATOM 0 HD22 LEU A 24 0.942 2.134 -1.025 1.00 13.12 H new ATOM 0 HD23 LEU A 24 -0.055 1.981 0.441 1.00 13.12 H new ATOM 412 N GLU A 25 4.312 2.057 3.350 1.00 32.13 N ATOM 413 CA GLU A 25 5.524 1.407 3.896 1.00 45.31 C ATOM 414 C GLU A 25 5.194 0.487 5.097 1.00 21.22 C ATOM 415 O GLU A 25 5.691 -0.615 5.165 1.00 31.04 O ATOM 416 CB GLU A 25 6.574 2.481 4.315 1.00 40.43 C ATOM 417 CG GLU A 25 7.351 3.138 3.151 1.00 21.32 C ATOM 418 CD GLU A 25 8.330 2.186 2.425 1.00 61.45 C ATOM 419 OE1 GLU A 25 8.934 1.299 3.081 1.00 44.22 O ATOM 420 OE2 GLU A 25 8.547 2.351 1.208 1.00 4.13 O ATOM 0 H GLU A 25 4.319 3.073 3.438 1.00 32.13 H new ATOM 0 HA GLU A 25 5.943 0.783 3.107 1.00 45.31 H new ATOM 0 HB2 GLU A 25 6.064 3.264 4.876 1.00 40.43 H new ATOM 0 HB3 GLU A 25 7.291 2.018 4.993 1.00 40.43 H new ATOM 0 HG2 GLU A 25 6.636 3.528 2.426 1.00 21.32 H new ATOM 0 HG3 GLU A 25 7.910 3.990 3.537 1.00 21.32 H new ATOM 427 N LYS A 26 4.327 0.950 6.015 1.00 30.42 N ATOM 428 CA LYS A 26 3.995 0.227 7.281 1.00 20.01 C ATOM 429 C LYS A 26 3.285 -1.127 6.998 1.00 40.31 C ATOM 430 O LYS A 26 3.547 -2.131 7.668 1.00 51.11 O ATOM 431 CB LYS A 26 3.111 1.136 8.175 1.00 51.44 C ATOM 432 CG LYS A 26 3.040 0.778 9.681 1.00 31.24 C ATOM 433 CD LYS A 26 2.468 1.955 10.531 1.00 2.32 C ATOM 434 CE LYS A 26 3.305 3.251 10.394 1.00 31.14 C ATOM 435 NZ LYS A 26 2.742 4.390 11.163 1.00 75.22 N ATOM 0 H LYS A 26 3.831 1.835 5.911 1.00 30.42 H new ATOM 0 HA LYS A 26 4.924 -0.002 7.803 1.00 20.01 H new ATOM 0 HB2 LYS A 26 3.477 2.159 8.086 1.00 51.44 H new ATOM 0 HB3 LYS A 26 2.097 1.124 7.775 1.00 51.44 H new ATOM 0 HG2 LYS A 26 2.415 -0.105 9.816 1.00 31.24 H new ATOM 0 HG3 LYS A 26 4.036 0.521 10.041 1.00 31.24 H new ATOM 0 HD2 LYS A 26 1.442 2.155 10.223 1.00 2.32 H new ATOM 0 HD3 LYS A 26 2.434 1.658 11.579 1.00 2.32 H new ATOM 0 HE2 LYS A 26 4.322 3.058 10.734 1.00 31.14 H new ATOM 0 HE3 LYS A 26 3.368 3.526 9.341 1.00 31.14 H new ATOM 0 HZ1 LYS A 26 3.240 5.265 10.902 1.00 75.22 H new ATOM 0 HZ2 LYS A 26 1.730 4.490 10.945 1.00 75.22 H new ATOM 0 HZ3 LYS A 26 2.861 4.214 12.181 1.00 75.22 H new ATOM 449 N VAL A 27 2.393 -1.122 5.988 1.00 54.24 N ATOM 450 CA VAL A 27 1.732 -2.340 5.469 1.00 32.12 C ATOM 451 C VAL A 27 2.757 -3.244 4.733 1.00 1.32 C ATOM 452 O VAL A 27 2.702 -4.463 4.864 1.00 44.45 O ATOM 453 CB VAL A 27 0.514 -1.978 4.520 1.00 14.14 C ATOM 454 CG1 VAL A 27 -0.102 -3.235 3.846 1.00 73.23 C ATOM 455 CG2 VAL A 27 -0.576 -1.191 5.300 1.00 52.25 C ATOM 0 H VAL A 27 2.108 -0.270 5.506 1.00 54.24 H new ATOM 0 HA VAL A 27 1.333 -2.893 6.319 1.00 32.12 H new ATOM 0 HB VAL A 27 0.907 -1.345 3.725 1.00 14.14 H new ATOM 0 HG11 VAL A 27 -0.932 -2.935 3.206 1.00 73.23 H new ATOM 0 HG12 VAL A 27 0.658 -3.734 3.244 1.00 73.23 H new ATOM 0 HG13 VAL A 27 -0.464 -3.919 4.614 1.00 73.23 H new ATOM 0 HG21 VAL A 27 -1.402 -0.953 4.630 1.00 52.25 H new ATOM 0 HG22 VAL A 27 -0.943 -1.800 6.127 1.00 52.25 H new ATOM 0 HG23 VAL A 27 -0.148 -0.268 5.691 1.00 52.25 H new ATOM 465 N PHE A 28 3.717 -2.619 4.010 1.00 4.42 N ATOM 466 CA PHE A 28 4.783 -3.345 3.270 1.00 42.22 C ATOM 467 C PHE A 28 5.772 -4.064 4.232 1.00 50.34 C ATOM 468 O PHE A 28 6.250 -5.164 3.934 1.00 2.20 O ATOM 469 CB PHE A 28 5.551 -2.376 2.326 1.00 1.10 C ATOM 470 CG PHE A 28 6.604 -3.063 1.454 1.00 5.41 C ATOM 471 CD1 PHE A 28 6.219 -3.920 0.422 1.00 4.55 C ATOM 472 CD2 PHE A 28 7.975 -2.880 1.674 1.00 22.23 C ATOM 473 CE1 PHE A 28 7.157 -4.567 -0.358 1.00 13.12 C ATOM 474 CE2 PHE A 28 8.913 -3.530 0.887 1.00 0.33 C ATOM 475 CZ PHE A 28 8.501 -4.372 -0.127 1.00 15.42 C ATOM 0 H PHE A 28 3.776 -1.605 3.922 1.00 4.42 H new ATOM 0 HA PHE A 28 4.296 -4.112 2.668 1.00 42.22 H new ATOM 0 HB2 PHE A 28 4.834 -1.869 1.680 1.00 1.10 H new ATOM 0 HB3 PHE A 28 6.037 -1.608 2.928 1.00 1.10 H new ATOM 0 HD1 PHE A 28 5.168 -4.080 0.230 1.00 4.55 H new ATOM 0 HD2 PHE A 28 8.305 -2.225 2.466 1.00 22.23 H new ATOM 0 HE1 PHE A 28 6.836 -5.227 -1.150 1.00 13.12 H new ATOM 0 HE2 PHE A 28 9.967 -3.378 1.067 1.00 0.33 H new ATOM 0 HZ PHE A 28 9.233 -4.878 -0.739 1.00 15.42 H new ATOM 485 N GLN A 29 6.078 -3.427 5.381 1.00 21.21 N ATOM 486 CA GLN A 29 6.967 -4.012 6.420 1.00 74.41 C ATOM 487 C GLN A 29 6.227 -5.123 7.201 1.00 3.52 C ATOM 488 O GLN A 29 6.837 -6.091 7.665 1.00 71.03 O ATOM 489 CB GLN A 29 7.475 -2.917 7.408 1.00 15.10 C ATOM 490 CG GLN A 29 8.132 -1.678 6.749 1.00 64.12 C ATOM 491 CD GLN A 29 9.322 -1.983 5.830 1.00 25.11 C ATOM 492 OE1 GLN A 29 10.083 -2.920 6.055 1.00 1.15 O ATOM 493 NE2 GLN A 29 9.483 -1.199 4.775 1.00 31.54 N ATOM 0 H GLN A 29 5.722 -2.501 5.619 1.00 21.21 H new ATOM 0 HA GLN A 29 7.830 -4.445 5.914 1.00 74.41 H new ATOM 0 HB2 GLN A 29 6.634 -2.581 8.015 1.00 15.10 H new ATOM 0 HB3 GLN A 29 8.197 -3.371 8.087 1.00 15.10 H new ATOM 0 HG2 GLN A 29 7.374 -1.148 6.172 1.00 64.12 H new ATOM 0 HG3 GLN A 29 8.465 -1.001 7.536 1.00 64.12 H new ATOM 0 HE21 GLN A 29 8.837 -0.427 4.610 1.00 31.54 H new ATOM 0 HE22 GLN A 29 10.253 -1.367 4.127 1.00 31.54 H new ATOM 502 N LYS A 30 4.897 -4.968 7.327 1.00 75.34 N ATOM 503 CA LYS A 30 4.015 -5.950 7.993 1.00 54.33 C ATOM 504 C LYS A 30 3.806 -7.207 7.100 1.00 12.44 C ATOM 505 O LYS A 30 3.793 -8.351 7.584 1.00 75.04 O ATOM 506 CB LYS A 30 2.655 -5.260 8.302 1.00 44.23 C ATOM 507 CG LYS A 30 1.743 -6.025 9.283 1.00 0.32 C ATOM 508 CD LYS A 30 0.389 -5.309 9.522 1.00 43.42 C ATOM 509 CE LYS A 30 -0.398 -5.902 10.704 1.00 52.02 C ATOM 510 NZ LYS A 30 0.344 -5.742 11.985 1.00 65.14 N ATOM 0 H LYS A 30 4.398 -4.154 6.968 1.00 75.34 H new ATOM 0 HA LYS A 30 4.478 -6.287 8.921 1.00 54.33 H new ATOM 0 HB2 LYS A 30 2.852 -4.269 8.711 1.00 44.23 H new ATOM 0 HB3 LYS A 30 2.116 -5.117 7.365 1.00 44.23 H new ATOM 0 HG2 LYS A 30 1.556 -7.026 8.894 1.00 0.32 H new ATOM 0 HG3 LYS A 30 2.260 -6.144 10.235 1.00 0.32 H new ATOM 0 HD2 LYS A 30 0.571 -4.250 9.707 1.00 43.42 H new ATOM 0 HD3 LYS A 30 -0.217 -5.375 8.618 1.00 43.42 H new ATOM 0 HE2 LYS A 30 -1.368 -5.411 10.780 1.00 52.02 H new ATOM 0 HE3 LYS A 30 -0.589 -6.960 10.522 1.00 52.02 H new ATOM 0 HZ1 LYS A 30 -0.312 -5.862 12.783 1.00 65.14 H new ATOM 0 HZ2 LYS A 30 1.095 -6.459 12.043 1.00 65.14 H new ATOM 0 HZ3 LYS A 30 0.768 -4.793 12.025 1.00 65.14 H new ATOM 524 N THR A 31 3.665 -6.958 5.782 1.00 15.15 N ATOM 525 CA THR A 31 3.417 -7.994 4.747 1.00 45.42 C ATOM 526 C THR A 31 3.754 -7.454 3.338 1.00 13.40 C ATOM 527 O THR A 31 3.434 -6.318 3.004 1.00 21.42 O ATOM 528 CB THR A 31 1.924 -8.508 4.760 1.00 53.34 C ATOM 529 OG1 THR A 31 1.695 -9.431 3.672 1.00 24.55 O ATOM 530 CG2 THR A 31 0.895 -7.357 4.684 1.00 53.13 C ATOM 0 H THR A 31 3.721 -6.016 5.396 1.00 15.15 H new ATOM 0 HA THR A 31 4.069 -8.834 4.987 1.00 45.42 H new ATOM 0 HB THR A 31 1.781 -9.016 5.714 1.00 53.34 H new ATOM 0 HG1 THR A 31 0.979 -9.088 3.098 1.00 24.55 H new ATOM 0 HG21 THR A 31 -0.114 -7.769 4.696 1.00 53.13 H new ATOM 0 HG22 THR A 31 1.027 -6.694 5.539 1.00 53.13 H new ATOM 0 HG23 THR A 31 1.046 -6.795 3.763 1.00 53.13 H new ATOM 538 N HIS A 32 4.394 -8.289 2.504 1.00 45.22 N ATOM 539 CA HIS A 32 4.734 -7.925 1.103 1.00 41.22 C ATOM 540 C HIS A 32 3.495 -7.997 0.174 1.00 5.52 C ATOM 541 O HIS A 32 3.542 -7.539 -0.973 1.00 31.14 O ATOM 542 CB HIS A 32 5.861 -8.844 0.568 1.00 10.32 C ATOM 543 CG HIS A 32 7.140 -8.766 1.369 1.00 14.35 C ATOM 544 ND1 HIS A 32 7.629 -9.819 2.110 1.00 52.15 N ATOM 545 CD2 HIS A 32 8.016 -7.751 1.553 1.00 31.30 C ATOM 546 CE1 HIS A 32 8.738 -9.462 2.710 1.00 35.44 C ATOM 547 NE2 HIS A 32 9.001 -8.211 2.397 1.00 14.31 N ATOM 0 H HIS A 32 4.691 -9.228 2.770 1.00 45.22 H new ATOM 0 HA HIS A 32 5.085 -6.893 1.106 1.00 41.22 H new ATOM 0 HB2 HIS A 32 5.507 -9.875 0.565 1.00 10.32 H new ATOM 0 HB3 HIS A 32 6.074 -8.578 -0.467 1.00 10.32 H new ATOM 0 HD2 HIS A 32 7.954 -6.764 1.119 1.00 31.30 H new ATOM 0 HE1 HIS A 32 9.336 -10.090 3.354 1.00 35.44 H new ATOM 0 HE2 HIS A 32 9.802 -7.672 2.725 1.00 14.31 H new ATOM 556 N TYR A 33 2.390 -8.583 0.681 1.00 43.41 N ATOM 557 CA TYR A 33 1.138 -8.770 -0.082 1.00 40.25 C ATOM 558 C TYR A 33 -0.066 -8.131 0.661 1.00 73.33 C ATOM 559 O TYR A 33 -0.551 -8.695 1.654 1.00 43.31 O ATOM 560 CB TYR A 33 0.882 -10.281 -0.307 1.00 13.52 C ATOM 561 CG TYR A 33 2.040 -11.004 -1.007 1.00 43.33 C ATOM 562 CD1 TYR A 33 2.314 -10.773 -2.358 1.00 24.11 C ATOM 563 CD2 TYR A 33 2.866 -11.900 -0.320 1.00 61.13 C ATOM 564 CE1 TYR A 33 3.362 -11.410 -2.996 1.00 65.00 C ATOM 565 CE2 TYR A 33 3.915 -12.537 -0.955 1.00 25.32 C ATOM 566 CZ TYR A 33 4.158 -12.292 -2.292 1.00 63.53 C ATOM 567 OH TYR A 33 5.202 -12.929 -2.925 1.00 64.02 O ATOM 0 H TYR A 33 2.341 -8.941 1.635 1.00 43.41 H new ATOM 0 HA TYR A 33 1.244 -8.273 -1.046 1.00 40.25 H new ATOM 0 HB2 TYR A 33 0.697 -10.757 0.656 1.00 13.52 H new ATOM 0 HB3 TYR A 33 -0.023 -10.403 -0.902 1.00 13.52 H new ATOM 0 HD1 TYR A 33 1.695 -10.084 -2.914 1.00 24.11 H new ATOM 0 HD2 TYR A 33 2.680 -12.097 0.725 1.00 61.13 H new ATOM 0 HE1 TYR A 33 3.557 -11.219 -4.041 1.00 65.00 H new ATOM 0 HE2 TYR A 33 4.543 -13.224 -0.407 1.00 25.32 H new ATOM 0 HH TYR A 33 5.663 -13.514 -2.288 1.00 64.02 H new ATOM 577 N PRO A 34 -0.538 -6.917 0.234 1.00 72.41 N ATOM 578 CA PRO A 34 -1.811 -6.344 0.722 1.00 22.05 C ATOM 579 C PRO A 34 -3.022 -7.016 0.024 1.00 41.34 C ATOM 580 O PRO A 34 -3.421 -6.629 -1.083 1.00 64.24 O ATOM 581 CB PRO A 34 -1.679 -4.840 0.372 1.00 73.51 C ATOM 582 CG PRO A 34 -0.813 -4.823 -0.857 1.00 30.13 C ATOM 583 CD PRO A 34 0.147 -5.995 -0.712 1.00 63.21 C ATOM 0 HA PRO A 34 -1.986 -6.502 1.786 1.00 22.05 H new ATOM 0 HB2 PRO A 34 -2.652 -4.389 0.180 1.00 73.51 H new ATOM 0 HB3 PRO A 34 -1.223 -4.279 1.188 1.00 73.51 H new ATOM 0 HG2 PRO A 34 -1.416 -4.922 -1.760 1.00 30.13 H new ATOM 0 HG3 PRO A 34 -0.270 -3.882 -0.938 1.00 30.13 H new ATOM 0 HD2 PRO A 34 0.334 -6.477 -1.672 1.00 63.21 H new ATOM 0 HD3 PRO A 34 1.113 -5.672 -0.324 1.00 63.21 H new ATOM 591 N ASP A 35 -3.563 -8.069 0.663 1.00 4.43 N ATOM 592 CA ASP A 35 -4.676 -8.873 0.096 1.00 10.14 C ATOM 593 C ASP A 35 -6.021 -8.069 0.095 1.00 3.34 C ATOM 594 O ASP A 35 -6.052 -6.932 0.561 1.00 22.13 O ATOM 595 CB ASP A 35 -4.789 -10.216 0.876 1.00 72.01 C ATOM 596 CG ASP A 35 -5.450 -11.348 0.061 1.00 54.43 C ATOM 597 OD1 ASP A 35 -4.762 -11.962 -0.786 1.00 75.55 O ATOM 598 OD2 ASP A 35 -6.651 -11.616 0.247 1.00 41.11 O ATOM 0 H ASP A 35 -3.249 -8.390 1.579 1.00 4.43 H new ATOM 0 HA ASP A 35 -4.461 -9.100 -0.948 1.00 10.14 H new ATOM 0 HB2 ASP A 35 -3.792 -10.534 1.182 1.00 72.01 H new ATOM 0 HB3 ASP A 35 -5.365 -10.051 1.787 1.00 72.01 H new ATOM 603 N VAL A 36 -7.120 -8.680 -0.408 1.00 14.33 N ATOM 604 CA VAL A 36 -8.420 -7.985 -0.673 1.00 63.14 C ATOM 605 C VAL A 36 -8.947 -7.111 0.510 1.00 21.23 C ATOM 606 O VAL A 36 -9.491 -6.018 0.295 1.00 55.34 O ATOM 607 CB VAL A 36 -9.515 -9.030 -1.101 1.00 55.13 C ATOM 608 CG1 VAL A 36 -9.880 -9.996 0.057 1.00 60.42 C ATOM 609 CG2 VAL A 36 -10.771 -8.339 -1.699 1.00 13.22 C ATOM 0 H VAL A 36 -7.139 -9.672 -0.645 1.00 14.33 H new ATOM 0 HA VAL A 36 -8.217 -7.287 -1.485 1.00 63.14 H new ATOM 0 HB VAL A 36 -9.080 -9.639 -1.894 1.00 55.13 H new ATOM 0 HG11 VAL A 36 -10.639 -10.700 -0.282 1.00 60.42 H new ATOM 0 HG12 VAL A 36 -8.990 -10.544 0.368 1.00 60.42 H new ATOM 0 HG13 VAL A 36 -10.267 -9.424 0.900 1.00 60.42 H new ATOM 0 HG21 VAL A 36 -11.503 -9.096 -1.982 1.00 13.22 H new ATOM 0 HG22 VAL A 36 -11.208 -7.672 -0.956 1.00 13.22 H new ATOM 0 HG23 VAL A 36 -10.485 -7.764 -2.580 1.00 13.22 H new ATOM 619 N TYR A 37 -8.754 -7.589 1.755 1.00 24.14 N ATOM 620 CA TYR A 37 -9.196 -6.866 2.971 1.00 33.24 C ATOM 621 C TYR A 37 -8.227 -5.702 3.307 1.00 11.33 C ATOM 622 O TYR A 37 -8.655 -4.608 3.692 1.00 5.11 O ATOM 623 CB TYR A 37 -9.336 -7.834 4.176 1.00 60.13 C ATOM 624 CG TYR A 37 -9.994 -7.180 5.400 1.00 63.33 C ATOM 625 CD1 TYR A 37 -11.348 -6.851 5.379 1.00 11.44 C ATOM 626 CD2 TYR A 37 -9.266 -6.857 6.554 1.00 5.11 C ATOM 627 CE1 TYR A 37 -11.953 -6.232 6.458 1.00 21.41 C ATOM 628 CE2 TYR A 37 -9.867 -6.231 7.630 1.00 74.13 C ATOM 629 CZ TYR A 37 -11.210 -5.921 7.577 1.00 4.35 C ATOM 630 OH TYR A 37 -11.812 -5.287 8.647 1.00 3.42 O ATOM 0 H TYR A 37 -8.292 -8.478 1.949 1.00 24.14 H new ATOM 0 HA TYR A 37 -10.178 -6.440 2.767 1.00 33.24 H new ATOM 0 HB2 TYR A 37 -9.925 -8.699 3.873 1.00 60.13 H new ATOM 0 HB3 TYR A 37 -8.349 -8.203 4.455 1.00 60.13 H new ATOM 0 HD1 TYR A 37 -11.936 -7.084 4.504 1.00 11.44 H new ATOM 0 HD2 TYR A 37 -8.215 -7.102 6.603 1.00 5.11 H new ATOM 0 HE1 TYR A 37 -13.006 -5.993 6.424 1.00 21.41 H new ATOM 0 HE2 TYR A 37 -9.288 -5.986 8.508 1.00 74.13 H new ATOM 0 HH TYR A 37 -11.150 -5.141 9.355 1.00 3.42 H new ATOM 640 N ALA A 38 -6.916 -5.960 3.139 1.00 60.52 N ATOM 641 CA ALA A 38 -5.849 -4.944 3.325 1.00 32.32 C ATOM 642 C ALA A 38 -5.922 -3.825 2.251 1.00 13.14 C ATOM 643 O ALA A 38 -5.432 -2.716 2.470 1.00 70.40 O ATOM 644 CB ALA A 38 -4.471 -5.624 3.319 1.00 54.12 C ATOM 0 H ALA A 38 -6.561 -6.878 2.870 1.00 60.52 H new ATOM 0 HA ALA A 38 -6.004 -4.466 4.292 1.00 32.32 H new ATOM 0 HB1 ALA A 38 -3.694 -4.872 3.456 1.00 54.12 H new ATOM 0 HB2 ALA A 38 -4.420 -6.350 4.130 1.00 54.12 H new ATOM 0 HB3 ALA A 38 -4.320 -6.132 2.367 1.00 54.12 H new ATOM 650 N ARG A 39 -6.538 -4.139 1.090 1.00 55.51 N ATOM 651 CA ARG A 39 -6.853 -3.139 0.043 1.00 32.13 C ATOM 652 C ARG A 39 -7.870 -2.107 0.578 1.00 3.43 C ATOM 653 O ARG A 39 -7.698 -0.908 0.382 1.00 64.53 O ATOM 654 CB ARG A 39 -7.436 -3.834 -1.218 1.00 23.42 C ATOM 655 CG ARG A 39 -6.471 -4.796 -1.938 1.00 53.12 C ATOM 656 CD ARG A 39 -5.308 -4.076 -2.650 1.00 55.12 C ATOM 657 NE ARG A 39 -4.362 -5.023 -3.265 1.00 23.12 N ATOM 658 CZ ARG A 39 -4.524 -5.638 -4.422 1.00 15.12 C ATOM 659 NH1 ARG A 39 -5.607 -5.495 -5.130 1.00 11.20 N ATOM 660 NH2 ARG A 39 -3.600 -6.429 -4.848 1.00 25.33 N ATOM 0 H ARG A 39 -6.830 -5.087 0.852 1.00 55.51 H new ATOM 0 HA ARG A 39 -5.929 -2.628 -0.228 1.00 32.13 H new ATOM 0 HB2 ARG A 39 -8.329 -4.389 -0.928 1.00 23.42 H new ATOM 0 HB3 ARG A 39 -7.753 -3.066 -1.924 1.00 23.42 H new ATOM 0 HG2 ARG A 39 -6.063 -5.500 -1.213 1.00 53.12 H new ATOM 0 HG3 ARG A 39 -7.030 -5.380 -2.670 1.00 53.12 H new ATOM 0 HD2 ARG A 39 -5.708 -3.414 -3.418 1.00 55.12 H new ATOM 0 HD3 ARG A 39 -4.778 -3.449 -1.933 1.00 55.12 H new ATOM 0 HE ARG A 39 -3.504 -5.222 -2.750 1.00 23.12 H new ATOM 0 HH11 ARG A 39 -6.360 -4.894 -4.794 1.00 11.20 H new ATOM 0 HH12 ARG A 39 -5.703 -5.984 -6.020 1.00 11.20 H new ATOM 0 HH21 ARG A 39 -2.757 -6.574 -4.293 1.00 25.33 H new ATOM 0 HH22 ARG A 39 -3.712 -6.911 -5.740 1.00 25.33 H new ATOM 674 N GLU A 40 -8.918 -2.609 1.264 1.00 20.41 N ATOM 675 CA GLU A 40 -9.979 -1.768 1.871 1.00 22.12 C ATOM 676 C GLU A 40 -9.415 -0.844 2.971 1.00 24.42 C ATOM 677 O GLU A 40 -9.636 0.369 2.949 1.00 10.32 O ATOM 678 CB GLU A 40 -11.108 -2.662 2.454 1.00 14.41 C ATOM 679 CG GLU A 40 -11.791 -3.579 1.424 1.00 43.40 C ATOM 680 CD GLU A 40 -12.458 -2.810 0.267 1.00 31.03 C ATOM 681 OE1 GLU A 40 -13.589 -2.311 0.447 1.00 24.15 O ATOM 682 OE2 GLU A 40 -11.852 -2.704 -0.827 1.00 3.50 O ATOM 0 H GLU A 40 -9.055 -3.608 1.414 1.00 20.41 H new ATOM 0 HA GLU A 40 -10.390 -1.137 1.083 1.00 22.12 H new ATOM 0 HB2 GLU A 40 -10.691 -3.278 3.251 1.00 14.41 H new ATOM 0 HB3 GLU A 40 -11.863 -2.021 2.909 1.00 14.41 H new ATOM 0 HG2 GLU A 40 -11.051 -4.267 1.014 1.00 43.40 H new ATOM 0 HG3 GLU A 40 -12.544 -4.184 1.930 1.00 43.40 H new ATOM 689 N GLN A 41 -8.668 -1.444 3.916 1.00 64.40 N ATOM 690 CA GLN A 41 -8.049 -0.718 5.051 1.00 74.45 C ATOM 691 C GLN A 41 -7.107 0.407 4.553 1.00 41.42 C ATOM 692 O GLN A 41 -7.315 1.585 4.857 1.00 12.22 O ATOM 693 CB GLN A 41 -7.264 -1.718 5.946 1.00 11.42 C ATOM 694 CG GLN A 41 -8.107 -2.860 6.547 1.00 61.21 C ATOM 695 CD GLN A 41 -9.192 -2.381 7.517 1.00 55.14 C ATOM 696 OE1 GLN A 41 -10.322 -2.122 7.131 1.00 53.04 O ATOM 697 NE2 GLN A 41 -8.846 -2.242 8.784 1.00 2.31 N ATOM 0 H GLN A 41 -8.474 -2.445 3.918 1.00 64.40 H new ATOM 0 HA GLN A 41 -8.843 -0.253 5.635 1.00 74.45 H new ATOM 0 HB2 GLN A 41 -6.458 -2.154 5.356 1.00 11.42 H new ATOM 0 HB3 GLN A 41 -6.798 -1.164 6.761 1.00 11.42 H new ATOM 0 HG2 GLN A 41 -8.577 -3.418 5.737 1.00 61.21 H new ATOM 0 HG3 GLN A 41 -7.446 -3.552 7.069 1.00 61.21 H new ATOM 0 HE21 GLN A 41 -7.896 -2.465 9.081 1.00 2.31 H new ATOM 0 HE22 GLN A 41 -9.529 -1.912 9.466 1.00 2.31 H new ATOM 706 N LEU A 42 -6.111 0.016 3.740 1.00 11.34 N ATOM 707 CA LEU A 42 -5.067 0.931 3.225 1.00 11.25 C ATOM 708 C LEU A 42 -5.664 2.064 2.345 1.00 74.31 C ATOM 709 O LEU A 42 -5.230 3.218 2.438 1.00 24.20 O ATOM 710 CB LEU A 42 -4.012 0.100 2.441 1.00 42.30 C ATOM 711 CG LEU A 42 -2.749 0.850 1.916 1.00 43.05 C ATOM 712 CD1 LEU A 42 -2.019 1.595 3.047 1.00 75.51 C ATOM 713 CD2 LEU A 42 -1.799 -0.134 1.199 1.00 24.42 C ATOM 0 H LEU A 42 -6.003 -0.946 3.418 1.00 11.34 H new ATOM 0 HA LEU A 42 -4.587 1.426 4.069 1.00 11.25 H new ATOM 0 HB2 LEU A 42 -3.677 -0.712 3.086 1.00 42.30 H new ATOM 0 HB3 LEU A 42 -4.511 -0.357 1.586 1.00 42.30 H new ATOM 0 HG LEU A 42 -3.080 1.600 1.197 1.00 43.05 H new ATOM 0 HD11 LEU A 42 -1.145 2.105 2.642 1.00 75.51 H new ATOM 0 HD12 LEU A 42 -2.692 2.327 3.494 1.00 75.51 H new ATOM 0 HD13 LEU A 42 -1.703 0.881 3.808 1.00 75.51 H new ATOM 0 HD21 LEU A 42 -0.922 0.404 0.838 1.00 24.42 H new ATOM 0 HD22 LEU A 42 -1.486 -0.911 1.896 1.00 24.42 H new ATOM 0 HD23 LEU A 42 -2.317 -0.591 0.356 1.00 24.42 H new ATOM 725 N ALA A 43 -6.674 1.720 1.516 1.00 3.12 N ATOM 726 CA ALA A 43 -7.406 2.705 0.674 1.00 64.02 C ATOM 727 C ALA A 43 -8.094 3.804 1.519 1.00 45.33 C ATOM 728 O ALA A 43 -7.957 5.000 1.236 1.00 22.23 O ATOM 729 CB ALA A 43 -8.453 1.995 -0.207 1.00 65.13 C ATOM 0 H ALA A 43 -7.006 0.762 1.408 1.00 3.12 H new ATOM 0 HA ALA A 43 -6.664 3.189 0.039 1.00 64.02 H new ATOM 0 HB1 ALA A 43 -8.977 2.732 -0.815 1.00 65.13 H new ATOM 0 HB2 ALA A 43 -7.954 1.277 -0.858 1.00 65.13 H new ATOM 0 HB3 ALA A 43 -9.169 1.473 0.428 1.00 65.13 H new ATOM 735 N MET A 44 -8.828 3.379 2.571 1.00 23.21 N ATOM 736 CA MET A 44 -9.590 4.303 3.452 1.00 5.53 C ATOM 737 C MET A 44 -8.660 5.154 4.362 1.00 51.51 C ATOM 738 O MET A 44 -9.038 6.254 4.778 1.00 55.23 O ATOM 739 CB MET A 44 -10.631 3.521 4.299 1.00 32.40 C ATOM 740 CG MET A 44 -11.676 2.776 3.450 1.00 32.14 C ATOM 741 SD MET A 44 -12.535 3.871 2.287 1.00 40.13 S ATOM 742 CE MET A 44 -13.540 2.705 1.360 1.00 15.11 C ATOM 0 H MET A 44 -8.911 2.397 2.835 1.00 23.21 H new ATOM 0 HA MET A 44 -10.121 4.999 2.803 1.00 5.53 H new ATOM 0 HB2 MET A 44 -10.108 2.803 4.931 1.00 32.40 H new ATOM 0 HB3 MET A 44 -11.143 4.216 4.964 1.00 32.40 H new ATOM 0 HG2 MET A 44 -11.185 1.976 2.896 1.00 32.14 H new ATOM 0 HG3 MET A 44 -12.406 2.306 4.109 1.00 32.14 H new ATOM 0 HE1 MET A 44 -14.121 3.241 0.610 1.00 15.11 H new ATOM 0 HE2 MET A 44 -12.894 1.979 0.867 1.00 15.11 H new ATOM 0 HE3 MET A 44 -14.216 2.187 2.040 1.00 15.11 H new ATOM 752 N ARG A 45 -7.452 4.633 4.656 1.00 72.13 N ATOM 753 CA ARG A 45 -6.413 5.361 5.434 1.00 24.33 C ATOM 754 C ARG A 45 -5.762 6.495 4.594 1.00 45.53 C ATOM 755 O ARG A 45 -5.712 7.655 5.015 1.00 34.55 O ATOM 756 CB ARG A 45 -5.315 4.365 5.921 1.00 54.02 C ATOM 757 CG ARG A 45 -5.764 3.351 6.998 1.00 54.43 C ATOM 758 CD ARG A 45 -6.092 4.013 8.351 1.00 22.25 C ATOM 759 NE ARG A 45 -6.335 3.020 9.419 1.00 35.43 N ATOM 760 CZ ARG A 45 -5.418 2.526 10.229 1.00 4.12 C ATOM 761 NH1 ARG A 45 -4.159 2.839 10.120 1.00 13.43 N ATOM 762 NH2 ARG A 45 -5.773 1.686 11.142 1.00 30.04 N ATOM 0 H ARG A 45 -7.164 3.699 4.365 1.00 72.13 H new ATOM 0 HA ARG A 45 -6.900 5.817 6.296 1.00 24.33 H new ATOM 0 HB2 ARG A 45 -4.944 3.811 5.059 1.00 54.02 H new ATOM 0 HB3 ARG A 45 -4.477 4.940 6.316 1.00 54.02 H new ATOM 0 HG2 ARG A 45 -6.643 2.815 6.640 1.00 54.43 H new ATOM 0 HG3 ARG A 45 -4.977 2.611 7.143 1.00 54.43 H new ATOM 0 HD2 ARG A 45 -5.268 4.663 8.644 1.00 22.25 H new ATOM 0 HD3 ARG A 45 -6.973 4.645 8.239 1.00 22.25 H new ATOM 0 HE ARG A 45 -7.292 2.689 9.540 1.00 35.43 H new ATOM 0 HH11 ARG A 45 -3.855 3.485 9.391 1.00 13.43 H new ATOM 0 HH12 ARG A 45 -3.476 2.438 10.763 1.00 13.43 H new ATOM 0 HH21 ARG A 45 -6.752 1.412 11.230 1.00 30.04 H new ATOM 0 HH22 ARG A 45 -5.075 1.296 11.775 1.00 30.04 H new ATOM 776 N THR A 46 -5.277 6.136 3.395 1.00 41.33 N ATOM 777 CA THR A 46 -4.416 7.020 2.561 1.00 4.42 C ATOM 778 C THR A 46 -5.201 7.868 1.533 1.00 4.14 C ATOM 779 O THR A 46 -4.619 8.771 0.921 1.00 73.45 O ATOM 780 CB THR A 46 -3.372 6.167 1.768 1.00 42.52 C ATOM 781 OG1 THR A 46 -4.050 5.261 0.877 1.00 23.11 O ATOM 782 CG2 THR A 46 -2.455 5.364 2.697 1.00 31.00 C ATOM 0 H THR A 46 -5.464 5.229 2.968 1.00 41.33 H new ATOM 0 HA THR A 46 -3.935 7.699 3.265 1.00 4.42 H new ATOM 0 HB THR A 46 -2.754 6.863 1.201 1.00 42.52 H new ATOM 0 HG1 THR A 46 -4.466 4.542 1.396 1.00 23.11 H new ATOM 0 HG21 THR A 46 -1.747 4.788 2.101 1.00 31.00 H new ATOM 0 HG22 THR A 46 -1.909 6.047 3.348 1.00 31.00 H new ATOM 0 HG23 THR A 46 -3.055 4.686 3.303 1.00 31.00 H new ATOM 790 N ASP A 47 -6.497 7.531 1.328 1.00 42.11 N ATOM 791 CA ASP A 47 -7.364 8.112 0.258 1.00 31.43 C ATOM 792 C ASP A 47 -6.918 7.688 -1.172 1.00 41.12 C ATOM 793 O ASP A 47 -7.328 8.294 -2.170 1.00 72.22 O ATOM 794 CB ASP A 47 -7.485 9.661 0.377 1.00 72.42 C ATOM 795 CG ASP A 47 -8.241 10.093 1.642 1.00 51.41 C ATOM 796 OD1 ASP A 47 -9.484 10.010 1.649 1.00 22.03 O ATOM 797 OD2 ASP A 47 -7.608 10.509 2.631 1.00 1.21 O ATOM 0 H ASP A 47 -6.981 6.842 1.903 1.00 42.11 H new ATOM 0 HA ASP A 47 -8.357 7.693 0.417 1.00 31.43 H new ATOM 0 HB2 ASP A 47 -6.488 10.101 0.385 1.00 72.42 H new ATOM 0 HB3 ASP A 47 -7.999 10.051 -0.501 1.00 72.42 H new ATOM 802 N LEU A 48 -6.095 6.631 -1.261 1.00 52.43 N ATOM 803 CA LEU A 48 -5.657 6.048 -2.546 1.00 13.03 C ATOM 804 C LEU A 48 -6.648 4.968 -3.022 1.00 35.54 C ATOM 805 O LEU A 48 -7.210 4.236 -2.210 1.00 10.14 O ATOM 806 CB LEU A 48 -4.239 5.434 -2.392 1.00 1.51 C ATOM 807 CG LEU A 48 -3.081 6.443 -2.092 1.00 60.15 C ATOM 808 CD1 LEU A 48 -1.767 5.698 -1.788 1.00 52.31 C ATOM 809 CD2 LEU A 48 -2.899 7.461 -3.245 1.00 5.13 C ATOM 0 H LEU A 48 -5.712 6.154 -0.445 1.00 52.43 H new ATOM 0 HA LEU A 48 -5.627 6.842 -3.293 1.00 13.03 H new ATOM 0 HB2 LEU A 48 -4.269 4.698 -1.589 1.00 1.51 H new ATOM 0 HB3 LEU A 48 -3.997 4.896 -3.309 1.00 1.51 H new ATOM 0 HG LEU A 48 -3.358 7.010 -1.203 1.00 60.15 H new ATOM 0 HD11 LEU A 48 -0.978 6.421 -1.583 1.00 52.31 H new ATOM 0 HD12 LEU A 48 -1.906 5.056 -0.918 1.00 52.31 H new ATOM 0 HD13 LEU A 48 -1.487 5.089 -2.648 1.00 52.31 H new ATOM 0 HD21 LEU A 48 -2.086 8.145 -3.001 1.00 5.13 H new ATOM 0 HD22 LEU A 48 -2.661 6.929 -4.166 1.00 5.13 H new ATOM 0 HD23 LEU A 48 -3.821 8.026 -3.380 1.00 5.13 H new ATOM 821 N THR A 49 -6.863 4.886 -4.344 1.00 72.33 N ATOM 822 CA THR A 49 -7.659 3.796 -4.953 1.00 0.15 C ATOM 823 C THR A 49 -6.854 2.474 -4.972 1.00 40.11 C ATOM 824 O THR A 49 -5.631 2.483 -4.746 1.00 70.24 O ATOM 825 CB THR A 49 -8.099 4.159 -6.413 1.00 4.44 C ATOM 826 OG1 THR A 49 -6.944 4.333 -7.259 1.00 63.03 O ATOM 827 CG2 THR A 49 -8.964 5.438 -6.452 1.00 33.30 C ATOM 0 H THR A 49 -6.498 5.560 -5.017 1.00 72.33 H new ATOM 0 HA THR A 49 -8.552 3.665 -4.341 1.00 0.15 H new ATOM 0 HB THR A 49 -8.702 3.330 -6.783 1.00 4.44 H new ATOM 0 HG1 THR A 49 -7.235 4.558 -8.168 1.00 63.03 H new ATOM 0 HG21 THR A 49 -9.248 5.654 -7.482 1.00 33.30 H new ATOM 0 HG22 THR A 49 -9.862 5.288 -5.852 1.00 33.30 H new ATOM 0 HG23 THR A 49 -8.394 6.275 -6.049 1.00 33.30 H new ATOM 835 N GLU A 50 -7.539 1.341 -5.251 1.00 23.13 N ATOM 836 CA GLU A 50 -6.885 0.012 -5.348 1.00 73.35 C ATOM 837 C GLU A 50 -5.751 0.028 -6.403 1.00 35.35 C ATOM 838 O GLU A 50 -4.702 -0.561 -6.192 1.00 43.00 O ATOM 839 CB GLU A 50 -7.912 -1.101 -5.704 1.00 40.30 C ATOM 840 CG GLU A 50 -7.299 -2.520 -5.821 1.00 33.22 C ATOM 841 CD GLU A 50 -8.276 -3.598 -6.331 1.00 64.13 C ATOM 842 OE1 GLU A 50 -8.870 -3.406 -7.415 1.00 60.43 O ATOM 843 OE2 GLU A 50 -8.419 -4.652 -5.679 1.00 52.21 O ATOM 0 H GLU A 50 -8.546 1.319 -5.413 1.00 23.13 H new ATOM 0 HA GLU A 50 -6.458 -0.208 -4.370 1.00 73.35 H new ATOM 0 HB2 GLU A 50 -8.692 -1.116 -4.943 1.00 40.30 H new ATOM 0 HB3 GLU A 50 -8.393 -0.847 -6.648 1.00 40.30 H new ATOM 0 HG2 GLU A 50 -6.442 -2.477 -6.493 1.00 33.22 H new ATOM 0 HG3 GLU A 50 -6.923 -2.821 -4.843 1.00 33.22 H new ATOM 850 N ALA A 51 -5.988 0.743 -7.520 1.00 62.20 N ATOM 851 CA ALA A 51 -4.994 0.939 -8.602 1.00 22.12 C ATOM 852 C ALA A 51 -3.676 1.572 -8.081 1.00 42.03 C ATOM 853 O ALA A 51 -2.590 1.140 -8.451 1.00 4.22 O ATOM 854 CB ALA A 51 -5.600 1.808 -9.713 1.00 3.15 C ATOM 0 H ALA A 51 -6.879 1.205 -7.701 1.00 62.20 H new ATOM 0 HA ALA A 51 -4.742 -0.043 -9.001 1.00 22.12 H new ATOM 0 HB1 ALA A 51 -4.866 1.949 -10.506 1.00 3.15 H new ATOM 0 HB2 ALA A 51 -6.483 1.315 -10.120 1.00 3.15 H new ATOM 0 HB3 ALA A 51 -5.882 2.778 -9.303 1.00 3.15 H new ATOM 860 N ARG A 52 -3.794 2.594 -7.211 1.00 35.15 N ATOM 861 CA ARG A 52 -2.620 3.262 -6.579 1.00 24.42 C ATOM 862 C ARG A 52 -1.896 2.324 -5.575 1.00 42.51 C ATOM 863 O ARG A 52 -0.665 2.347 -5.474 1.00 63.44 O ATOM 864 CB ARG A 52 -3.040 4.594 -5.882 1.00 42.41 C ATOM 865 CG ARG A 52 -3.036 5.850 -6.789 1.00 23.31 C ATOM 866 CD ARG A 52 -3.981 5.749 -7.999 1.00 50.44 C ATOM 867 NE ARG A 52 -3.876 6.931 -8.873 1.00 74.21 N ATOM 868 CZ ARG A 52 -4.179 6.970 -10.152 1.00 11.42 C ATOM 869 NH1 ARG A 52 -4.598 5.919 -10.789 1.00 11.31 N ATOM 870 NH2 ARG A 52 -4.058 8.083 -10.792 1.00 45.44 N ATOM 0 H ARG A 52 -4.692 2.983 -6.923 1.00 35.15 H new ATOM 0 HA ARG A 52 -1.916 3.499 -7.377 1.00 24.42 H new ATOM 0 HB2 ARG A 52 -4.041 4.468 -5.469 1.00 42.41 H new ATOM 0 HB3 ARG A 52 -2.369 4.772 -5.042 1.00 42.41 H new ATOM 0 HG2 ARG A 52 -3.317 6.718 -6.192 1.00 23.31 H new ATOM 0 HG3 ARG A 52 -2.021 6.024 -7.147 1.00 23.31 H new ATOM 0 HD2 ARG A 52 -3.745 4.852 -8.571 1.00 50.44 H new ATOM 0 HD3 ARG A 52 -5.008 5.644 -7.651 1.00 50.44 H new ATOM 0 HE ARG A 52 -3.539 7.795 -8.448 1.00 74.21 H new ATOM 0 HH11 ARG A 52 -4.700 5.031 -10.297 1.00 11.31 H new ATOM 0 HH12 ARG A 52 -4.825 5.981 -11.781 1.00 11.31 H new ATOM 0 HH21 ARG A 52 -3.731 8.918 -10.306 1.00 45.44 H new ATOM 0 HH22 ARG A 52 -4.289 8.128 -11.784 1.00 45.44 H new ATOM 884 N VAL A 53 -2.681 1.515 -4.836 1.00 63.50 N ATOM 885 CA VAL A 53 -2.146 0.476 -3.917 1.00 45.11 C ATOM 886 C VAL A 53 -1.372 -0.612 -4.714 1.00 14.12 C ATOM 887 O VAL A 53 -0.298 -1.051 -4.309 1.00 42.52 O ATOM 888 CB VAL A 53 -3.309 -0.183 -3.072 1.00 60.44 C ATOM 889 CG1 VAL A 53 -2.785 -1.318 -2.151 1.00 40.02 C ATOM 890 CG2 VAL A 53 -4.077 0.890 -2.251 1.00 64.31 C ATOM 0 H VAL A 53 -3.700 1.558 -4.855 1.00 63.50 H new ATOM 0 HA VAL A 53 -1.454 0.959 -3.227 1.00 45.11 H new ATOM 0 HB VAL A 53 -4.005 -0.636 -3.778 1.00 60.44 H new ATOM 0 HG11 VAL A 53 -3.616 -1.743 -1.589 1.00 40.02 H new ATOM 0 HG12 VAL A 53 -2.323 -2.096 -2.759 1.00 40.02 H new ATOM 0 HG13 VAL A 53 -2.048 -0.913 -1.458 1.00 40.02 H new ATOM 0 HG21 VAL A 53 -4.871 0.411 -1.679 1.00 64.31 H new ATOM 0 HG22 VAL A 53 -3.388 1.388 -1.569 1.00 64.31 H new ATOM 0 HG23 VAL A 53 -4.511 1.625 -2.929 1.00 64.31 H new ATOM 900 N GLN A 54 -1.922 -1.002 -5.875 1.00 33.14 N ATOM 901 CA GLN A 54 -1.315 -2.023 -6.757 1.00 71.42 C ATOM 902 C GLN A 54 0.022 -1.524 -7.348 1.00 23.20 C ATOM 903 O GLN A 54 1.058 -2.135 -7.106 1.00 21.11 O ATOM 904 CB GLN A 54 -2.303 -2.434 -7.885 1.00 45.13 C ATOM 905 CG GLN A 54 -3.532 -3.228 -7.389 1.00 71.42 C ATOM 906 CD GLN A 54 -4.571 -3.520 -8.482 1.00 55.14 C ATOM 907 OE1 GLN A 54 -4.738 -2.751 -9.425 1.00 2.22 O ATOM 908 NE2 GLN A 54 -5.285 -4.625 -8.359 1.00 14.43 N ATOM 0 H GLN A 54 -2.799 -0.622 -6.232 1.00 33.14 H new ATOM 0 HA GLN A 54 -1.103 -2.906 -6.154 1.00 71.42 H new ATOM 0 HB2 GLN A 54 -2.647 -1.535 -8.397 1.00 45.13 H new ATOM 0 HB3 GLN A 54 -1.768 -3.035 -8.620 1.00 45.13 H new ATOM 0 HG2 GLN A 54 -3.193 -4.172 -6.963 1.00 71.42 H new ATOM 0 HG3 GLN A 54 -4.012 -2.669 -6.586 1.00 71.42 H new ATOM 0 HE21 GLN A 54 -5.128 -5.248 -7.567 1.00 14.43 H new ATOM 0 HE22 GLN A 54 -5.993 -4.855 -9.056 1.00 14.43 H new ATOM 917 N VAL A 55 -0.020 -0.383 -8.078 1.00 65.24 N ATOM 918 CA VAL A 55 1.171 0.213 -8.747 1.00 71.32 C ATOM 919 C VAL A 55 2.332 0.463 -7.753 1.00 14.14 C ATOM 920 O VAL A 55 3.468 0.053 -8.018 1.00 2.52 O ATOM 921 CB VAL A 55 0.815 1.554 -9.503 1.00 44.24 C ATOM 922 CG1 VAL A 55 2.085 2.251 -10.088 1.00 64.11 C ATOM 923 CG2 VAL A 55 -0.230 1.293 -10.619 1.00 42.14 C ATOM 0 H VAL A 55 -0.877 0.152 -8.222 1.00 65.24 H new ATOM 0 HA VAL A 55 1.501 -0.520 -9.483 1.00 71.32 H new ATOM 0 HB VAL A 55 0.381 2.234 -8.770 1.00 44.24 H new ATOM 0 HG11 VAL A 55 1.794 3.169 -10.599 1.00 64.11 H new ATOM 0 HG12 VAL A 55 2.774 2.490 -9.278 1.00 64.11 H new ATOM 0 HG13 VAL A 55 2.574 1.581 -10.795 1.00 64.11 H new ATOM 0 HG21 VAL A 55 -0.461 2.229 -11.127 1.00 42.14 H new ATOM 0 HG22 VAL A 55 0.175 0.581 -11.338 1.00 42.14 H new ATOM 0 HG23 VAL A 55 -1.140 0.885 -10.178 1.00 42.14 H new ATOM 933 N TRP A 56 2.027 1.102 -6.595 1.00 74.40 N ATOM 934 CA TRP A 56 3.049 1.405 -5.559 1.00 53.13 C ATOM 935 C TRP A 56 3.779 0.108 -5.118 1.00 14.33 C ATOM 936 O TRP A 56 5.000 0.053 -5.141 1.00 44.01 O ATOM 937 CB TRP A 56 2.431 2.120 -4.321 1.00 41.43 C ATOM 938 CG TRP A 56 3.465 2.655 -3.332 1.00 13.21 C ATOM 939 CD1 TRP A 56 4.038 3.898 -3.340 1.00 35.23 C ATOM 940 CD2 TRP A 56 4.058 1.960 -2.213 1.00 23.32 C ATOM 941 NE1 TRP A 56 4.915 4.024 -2.292 1.00 42.11 N ATOM 942 CE2 TRP A 56 4.949 2.849 -1.593 1.00 4.23 C ATOM 943 CE3 TRP A 56 3.911 0.681 -1.676 1.00 3.12 C ATOM 944 CZ2 TRP A 56 5.695 2.497 -0.470 1.00 20.33 C ATOM 945 CZ3 TRP A 56 4.649 0.329 -0.563 1.00 65.25 C ATOM 946 CH2 TRP A 56 5.529 1.236 0.030 1.00 51.35 C ATOM 0 H TRP A 56 1.087 1.416 -6.355 1.00 74.40 H new ATOM 0 HA TRP A 56 3.771 2.087 -6.008 1.00 53.13 H new ATOM 0 HB2 TRP A 56 1.810 2.947 -4.665 1.00 41.43 H new ATOM 0 HB3 TRP A 56 1.774 1.422 -3.802 1.00 41.43 H new ATOM 0 HD1 TRP A 56 3.830 4.669 -4.067 1.00 35.23 H new ATOM 0 HE1 TRP A 56 5.455 4.860 -2.070 1.00 42.11 H new ATOM 0 HE3 TRP A 56 3.228 -0.025 -2.125 1.00 3.12 H new ATOM 0 HZ2 TRP A 56 6.379 3.195 -0.011 1.00 20.33 H new ATOM 0 HZ3 TRP A 56 4.544 -0.662 -0.146 1.00 65.25 H new ATOM 0 HH2 TRP A 56 6.090 0.935 0.902 1.00 51.35 H new ATOM 957 N PHE A 57 3.002 -0.937 -4.757 1.00 14.51 N ATOM 958 CA PHE A 57 3.553 -2.248 -4.324 1.00 21.40 C ATOM 959 C PHE A 57 4.246 -3.028 -5.478 1.00 14.11 C ATOM 960 O PHE A 57 5.156 -3.806 -5.215 1.00 11.24 O ATOM 961 CB PHE A 57 2.447 -3.117 -3.640 1.00 72.31 C ATOM 962 CG PHE A 57 2.195 -2.753 -2.171 1.00 4.44 C ATOM 963 CD1 PHE A 57 1.337 -1.714 -1.812 1.00 43.14 C ATOM 964 CD2 PHE A 57 2.831 -3.454 -1.144 1.00 1.21 C ATOM 965 CE1 PHE A 57 1.123 -1.390 -0.487 1.00 31.15 C ATOM 966 CE2 PHE A 57 2.614 -3.129 0.180 1.00 12.31 C ATOM 967 CZ PHE A 57 1.762 -2.097 0.510 1.00 22.53 C ATOM 0 H PHE A 57 1.983 -0.900 -4.756 1.00 14.51 H new ATOM 0 HA PHE A 57 4.331 -2.033 -3.591 1.00 21.40 H new ATOM 0 HB2 PHE A 57 1.516 -3.008 -4.197 1.00 72.31 H new ATOM 0 HB3 PHE A 57 2.734 -4.167 -3.701 1.00 72.31 H new ATOM 0 HD1 PHE A 57 0.831 -1.153 -2.584 1.00 43.14 H new ATOM 0 HD2 PHE A 57 3.503 -4.263 -1.390 1.00 1.21 H new ATOM 0 HE1 PHE A 57 0.454 -0.582 -0.231 1.00 31.15 H new ATOM 0 HE2 PHE A 57 3.113 -3.685 0.960 1.00 12.31 H new ATOM 0 HZ PHE A 57 1.595 -1.843 1.546 1.00 22.53 H new ATOM 977 N GLN A 58 3.838 -2.811 -6.743 1.00 52.41 N ATOM 978 CA GLN A 58 4.494 -3.457 -7.918 1.00 32.22 C ATOM 979 C GLN A 58 5.928 -2.906 -8.117 1.00 74.31 C ATOM 980 O GLN A 58 6.898 -3.675 -8.172 1.00 3.13 O ATOM 981 CB GLN A 58 3.643 -3.251 -9.204 1.00 44.45 C ATOM 982 CG GLN A 58 2.322 -4.054 -9.224 1.00 24.44 C ATOM 983 CD GLN A 58 1.398 -3.725 -10.405 1.00 14.02 C ATOM 984 OE1 GLN A 58 1.848 -3.371 -11.489 1.00 24.23 O ATOM 985 NE2 GLN A 58 0.093 -3.839 -10.204 1.00 61.10 N ATOM 0 H GLN A 58 3.061 -2.197 -6.987 1.00 52.41 H new ATOM 0 HA GLN A 58 4.565 -4.527 -7.723 1.00 32.22 H new ATOM 0 HB2 GLN A 58 3.412 -2.191 -9.308 1.00 44.45 H new ATOM 0 HB3 GLN A 58 4.240 -3.534 -10.071 1.00 44.45 H new ATOM 0 HG2 GLN A 58 2.558 -5.118 -9.248 1.00 24.44 H new ATOM 0 HG3 GLN A 58 1.784 -3.868 -8.295 1.00 24.44 H new ATOM 0 HE21 GLN A 58 -0.259 -4.135 -9.294 1.00 61.10 H new ATOM 0 HE22 GLN A 58 -0.560 -3.630 -10.960 1.00 61.10 H new ATOM 994 N ASN A 59 6.038 -1.566 -8.193 1.00 55.44 N ATOM 995 CA ASN A 59 7.340 -0.856 -8.285 1.00 62.23 C ATOM 996 C ASN A 59 8.204 -1.089 -7.015 1.00 45.02 C ATOM 997 O ASN A 59 9.417 -1.269 -7.108 1.00 33.33 O ATOM 998 CB ASN A 59 7.106 0.662 -8.507 1.00 23.04 C ATOM 999 CG ASN A 59 6.400 0.967 -9.834 1.00 70.43 C ATOM 1000 OD1 ASN A 59 5.186 0.933 -9.929 1.00 21.42 O ATOM 1001 ND2 ASN A 59 7.150 1.284 -10.868 1.00 75.32 N ATOM 0 H ASN A 59 5.232 -0.941 -8.193 1.00 55.44 H new ATOM 0 HA ASN A 59 7.885 -1.262 -9.137 1.00 62.23 H new ATOM 0 HB2 ASN A 59 6.510 1.057 -7.684 1.00 23.04 H new ATOM 0 HB3 ASN A 59 8.065 1.180 -8.483 1.00 23.04 H new ATOM 0 HD21 ASN A 59 6.716 1.505 -11.764 1.00 75.32 H new ATOM 0 HD22 ASN A 59 8.165 1.308 -10.773 1.00 75.32 H new ATOM 1008 N ARG A 60 7.543 -1.116 -5.837 1.00 73.40 N ATOM 1009 CA ARG A 60 8.212 -1.291 -4.520 1.00 15.34 C ATOM 1010 C ARG A 60 8.867 -2.688 -4.385 1.00 71.33 C ATOM 1011 O ARG A 60 10.027 -2.791 -3.995 1.00 63.44 O ATOM 1012 CB ARG A 60 7.197 -1.079 -3.364 1.00 13.41 C ATOM 1013 CG ARG A 60 7.794 -1.111 -1.940 1.00 35.03 C ATOM 1014 CD ARG A 60 8.840 -0.009 -1.706 1.00 2.24 C ATOM 1015 NE ARG A 60 9.324 0.004 -0.314 1.00 70.40 N ATOM 1016 CZ ARG A 60 10.480 -0.465 0.102 1.00 1.52 C ATOM 1017 NH1 ARG A 60 11.285 -1.113 -0.697 1.00 70.21 N ATOM 1018 NH2 ARG A 60 10.809 -0.295 1.336 1.00 1.53 N ATOM 0 H ARG A 60 6.530 -1.017 -5.768 1.00 73.40 H new ATOM 0 HA ARG A 60 9.000 -0.541 -4.458 1.00 15.34 H new ATOM 0 HB2 ARG A 60 6.702 -0.119 -3.510 1.00 13.41 H new ATOM 0 HB3 ARG A 60 6.428 -1.848 -3.434 1.00 13.41 H new ATOM 0 HG2 ARG A 60 6.990 -1.003 -1.212 1.00 35.03 H new ATOM 0 HG3 ARG A 60 8.253 -2.084 -1.766 1.00 35.03 H new ATOM 0 HD2 ARG A 60 9.682 -0.159 -2.382 1.00 2.24 H new ATOM 0 HD3 ARG A 60 8.406 0.961 -1.948 1.00 2.24 H new ATOM 0 HE ARG A 60 8.708 0.413 0.389 1.00 70.40 H new ATOM 0 HH11 ARG A 60 11.023 -1.266 -1.671 1.00 70.21 H new ATOM 0 HH12 ARG A 60 12.176 -1.466 -0.347 1.00 70.21 H new ATOM 0 HH21 ARG A 60 10.177 0.195 1.969 1.00 1.53 H new ATOM 0 HH22 ARG A 60 11.701 -0.651 1.680 1.00 1.53 H new ATOM 1032 N ARG A 61 8.092 -3.750 -4.694 1.00 63.14 N ATOM 1033 CA ARG A 61 8.579 -5.157 -4.653 1.00 1.52 C ATOM 1034 C ARG A 61 9.652 -5.428 -5.729 1.00 54.44 C ATOM 1035 O ARG A 61 10.551 -6.238 -5.513 1.00 72.54 O ATOM 1036 CB ARG A 61 7.404 -6.161 -4.810 1.00 64.41 C ATOM 1037 CG ARG A 61 6.440 -6.223 -3.599 1.00 54.44 C ATOM 1038 CD ARG A 61 5.202 -7.105 -3.865 1.00 53.44 C ATOM 1039 NE ARG A 61 4.388 -6.586 -4.979 1.00 0.14 N ATOM 1040 CZ ARG A 61 3.179 -6.989 -5.300 1.00 14.44 C ATOM 1041 NH1 ARG A 61 2.562 -7.912 -4.622 1.00 45.00 N ATOM 1042 NH2 ARG A 61 2.589 -6.442 -6.308 1.00 64.13 N ATOM 0 H ARG A 61 7.116 -3.663 -4.978 1.00 63.14 H new ATOM 0 HA ARG A 61 9.039 -5.302 -3.675 1.00 1.52 H new ATOM 0 HB2 ARG A 61 6.832 -5.894 -5.699 1.00 64.41 H new ATOM 0 HB3 ARG A 61 7.815 -7.156 -4.982 1.00 64.41 H new ATOM 0 HG2 ARG A 61 6.977 -6.610 -2.733 1.00 54.44 H new ATOM 0 HG3 ARG A 61 6.114 -5.214 -3.348 1.00 54.44 H new ATOM 0 HD2 ARG A 61 5.522 -8.122 -4.092 1.00 53.44 H new ATOM 0 HD3 ARG A 61 4.592 -7.157 -2.963 1.00 53.44 H new ATOM 0 HE ARG A 61 4.800 -5.849 -5.551 1.00 0.14 H new ATOM 0 HH11 ARG A 61 3.016 -8.343 -3.817 1.00 45.00 H new ATOM 0 HH12 ARG A 61 1.624 -8.204 -4.895 1.00 45.00 H new ATOM 0 HH21 ARG A 61 3.061 -5.711 -6.840 1.00 64.13 H new ATOM 0 HH22 ARG A 61 1.651 -6.741 -6.573 1.00 64.13 H new ATOM 1056 N ALA A 62 9.537 -4.746 -6.887 1.00 32.51 N ATOM 1057 CA ALA A 62 10.540 -4.828 -7.975 1.00 52.44 C ATOM 1058 C ALA A 62 11.909 -4.271 -7.502 1.00 65.01 C ATOM 1059 O ALA A 62 12.949 -4.909 -7.681 1.00 25.33 O ATOM 1060 CB ALA A 62 10.040 -4.077 -9.218 1.00 62.41 C ATOM 0 H ALA A 62 8.754 -4.127 -7.096 1.00 32.51 H new ATOM 0 HA ALA A 62 10.679 -5.876 -8.241 1.00 52.44 H new ATOM 0 HB1 ALA A 62 10.787 -4.145 -10.009 1.00 62.41 H new ATOM 0 HB2 ALA A 62 9.106 -4.522 -9.561 1.00 62.41 H new ATOM 0 HB3 ALA A 62 9.872 -3.030 -8.967 1.00 62.41 H new ATOM 1066 N LYS A 63 11.873 -3.078 -6.874 1.00 42.10 N ATOM 1067 CA LYS A 63 13.061 -2.434 -6.252 1.00 72.10 C ATOM 1068 C LYS A 63 13.574 -3.220 -5.014 1.00 75.54 C ATOM 1069 O LYS A 63 14.774 -3.218 -4.713 1.00 54.00 O ATOM 1070 CB LYS A 63 12.709 -0.985 -5.839 1.00 13.44 C ATOM 1071 CG LYS A 63 12.352 -0.046 -7.008 1.00 35.50 C ATOM 1072 CD LYS A 63 11.882 1.346 -6.523 1.00 51.21 C ATOM 1073 CE LYS A 63 12.955 2.101 -5.715 1.00 24.34 C ATOM 1074 NZ LYS A 63 14.189 2.331 -6.504 1.00 31.02 N ATOM 0 H LYS A 63 11.019 -2.528 -6.781 1.00 42.10 H new ATOM 0 HA LYS A 63 13.860 -2.431 -6.993 1.00 72.10 H new ATOM 0 HB2 LYS A 63 11.868 -1.014 -5.146 1.00 13.44 H new ATOM 0 HB3 LYS A 63 13.555 -0.561 -5.297 1.00 13.44 H new ATOM 0 HG2 LYS A 63 13.222 0.072 -7.655 1.00 35.50 H new ATOM 0 HG3 LYS A 63 11.566 -0.502 -7.610 1.00 35.50 H new ATOM 0 HD2 LYS A 63 11.596 1.947 -7.386 1.00 51.21 H new ATOM 0 HD3 LYS A 63 10.990 1.227 -5.908 1.00 51.21 H new ATOM 0 HE2 LYS A 63 12.552 3.059 -5.385 1.00 24.34 H new ATOM 0 HE3 LYS A 63 13.200 1.532 -4.818 1.00 24.34 H new ATOM 0 HZ1 LYS A 63 14.850 2.914 -5.952 1.00 31.02 H new ATOM 0 HZ2 LYS A 63 14.635 1.418 -6.725 1.00 31.02 H new ATOM 0 HZ3 LYS A 63 13.949 2.823 -7.389 1.00 31.02 H new ATOM 1088 N TRP A 64 12.636 -3.871 -4.299 1.00 74.11 N ATOM 1089 CA TRP A 64 12.931 -4.692 -3.101 1.00 63.52 C ATOM 1090 C TRP A 64 13.710 -5.978 -3.490 1.00 0.34 C ATOM 1091 O TRP A 64 14.591 -6.434 -2.747 1.00 0.05 O ATOM 1092 CB TRP A 64 11.610 -5.029 -2.356 1.00 20.24 C ATOM 1093 CG TRP A 64 11.786 -5.841 -1.096 1.00 71.35 C ATOM 1094 CD1 TRP A 64 12.132 -5.381 0.142 1.00 53.54 C ATOM 1095 CD2 TRP A 64 11.626 -7.254 -0.968 1.00 73.34 C ATOM 1096 NE1 TRP A 64 12.198 -6.425 1.025 1.00 23.11 N ATOM 1097 CE2 TRP A 64 11.897 -7.586 0.366 1.00 53.02 C ATOM 1098 CE3 TRP A 64 11.282 -8.266 -1.865 1.00 54.11 C ATOM 1099 CZ2 TRP A 64 11.839 -8.893 0.829 1.00 34.53 C ATOM 1100 CZ3 TRP A 64 11.223 -9.565 -1.408 1.00 31.40 C ATOM 1101 CH2 TRP A 64 11.500 -9.871 -0.069 1.00 33.55 C ATOM 0 H TRP A 64 11.644 -3.844 -4.536 1.00 74.11 H new ATOM 0 HA TRP A 64 13.569 -4.120 -2.427 1.00 63.52 H new ATOM 0 HB2 TRP A 64 11.103 -4.097 -2.104 1.00 20.24 H new ATOM 0 HB3 TRP A 64 10.955 -5.575 -3.035 1.00 20.24 H new ATOM 0 HD1 TRP A 64 12.325 -4.347 0.388 1.00 53.54 H new ATOM 0 HE1 TRP A 64 12.434 -6.350 2.015 1.00 23.11 H new ATOM 0 HE3 TRP A 64 11.066 -8.036 -2.898 1.00 54.11 H new ATOM 0 HZ2 TRP A 64 12.053 -9.131 1.860 1.00 34.53 H new ATOM 0 HZ3 TRP A 64 10.959 -10.358 -2.092 1.00 31.40 H new ATOM 0 HH2 TRP A 64 11.445 -10.898 0.262 1.00 33.55 H new ATOM 1112 N ARG A 65 13.368 -6.551 -4.661 1.00 63.44 N ATOM 1113 CA ARG A 65 14.144 -7.651 -5.266 1.00 52.34 C ATOM 1114 C ARG A 65 15.515 -7.127 -5.758 1.00 13.15 C ATOM 1115 O ARG A 65 16.568 -7.664 -5.388 1.00 64.00 O ATOM 1116 CB ARG A 65 13.360 -8.307 -6.442 1.00 74.41 C ATOM 1117 CG ARG A 65 12.051 -9.029 -6.038 1.00 42.33 C ATOM 1118 CD ARG A 65 12.272 -10.151 -4.999 1.00 72.43 C ATOM 1119 NE ARG A 65 13.218 -11.181 -5.483 1.00 70.24 N ATOM 1120 CZ ARG A 65 14.074 -11.849 -4.733 1.00 42.00 C ATOM 1121 NH1 ARG A 65 14.159 -11.643 -3.454 1.00 35.25 N ATOM 1122 NH2 ARG A 65 14.845 -12.725 -5.279 1.00 11.34 N ATOM 0 H ARG A 65 12.555 -6.268 -5.209 1.00 63.44 H new ATOM 0 HA ARG A 65 14.309 -8.413 -4.504 1.00 52.34 H new ATOM 0 HB2 ARG A 65 13.120 -7.535 -7.173 1.00 74.41 H new ATOM 0 HB3 ARG A 65 14.014 -9.024 -6.938 1.00 74.41 H new ATOM 0 HG2 ARG A 65 11.351 -8.299 -5.632 1.00 42.33 H new ATOM 0 HG3 ARG A 65 11.588 -9.453 -6.929 1.00 42.33 H new ATOM 0 HD2 ARG A 65 12.651 -9.718 -4.074 1.00 72.43 H new ATOM 0 HD3 ARG A 65 11.316 -10.619 -4.763 1.00 72.43 H new ATOM 0 HE ARG A 65 13.207 -11.393 -6.481 1.00 70.24 H new ATOM 0 HH11 ARG A 65 13.556 -10.952 -3.008 1.00 35.25 H new ATOM 0 HH12 ARG A 65 14.829 -12.172 -2.896 1.00 35.25 H new ATOM 0 HH21 ARG A 65 14.791 -12.897 -6.283 1.00 11.34 H new ATOM 0 HH22 ARG A 65 15.510 -13.246 -4.707 1.00 11.34 H new ATOM 1136 N LYS A 66 15.479 -6.049 -6.573 1.00 61.51 N ATOM 1137 CA LYS A 66 16.696 -5.414 -7.120 1.00 42.51 C ATOM 1138 C LYS A 66 16.379 -4.004 -7.698 1.00 63.12 C ATOM 1139 O LYS A 66 16.889 -2.989 -7.209 1.00 11.33 O ATOM 1140 CB LYS A 66 17.339 -6.320 -8.216 1.00 13.34 C ATOM 1141 CG LYS A 66 18.810 -5.982 -8.545 1.00 25.33 C ATOM 1142 CD LYS A 66 19.733 -6.187 -7.319 1.00 2.20 C ATOM 1143 CE LYS A 66 21.199 -5.832 -7.594 1.00 63.44 C ATOM 1144 NZ LYS A 66 22.034 -6.009 -6.375 1.00 14.32 N ATOM 0 H LYS A 66 14.612 -5.599 -6.867 1.00 61.51 H new ATOM 0 HA LYS A 66 17.409 -5.293 -6.305 1.00 42.51 H new ATOM 0 HB2 LYS A 66 17.282 -7.359 -7.890 1.00 13.34 H new ATOM 0 HB3 LYS A 66 16.748 -6.240 -9.128 1.00 13.34 H new ATOM 0 HG2 LYS A 66 19.152 -6.610 -9.367 1.00 25.33 H new ATOM 0 HG3 LYS A 66 18.879 -4.948 -8.883 1.00 25.33 H new ATOM 0 HD2 LYS A 66 19.368 -5.577 -6.493 1.00 2.20 H new ATOM 0 HD3 LYS A 66 19.673 -7.227 -6.998 1.00 2.20 H new ATOM 0 HE2 LYS A 66 21.584 -6.462 -8.396 1.00 63.44 H new ATOM 0 HE3 LYS A 66 21.268 -4.800 -7.938 1.00 63.44 H new ATOM 0 HZ1 LYS A 66 23.021 -5.761 -6.591 1.00 14.32 H new ATOM 0 HZ2 LYS A 66 21.679 -5.390 -5.618 1.00 14.32 H new ATOM 0 HZ3 LYS A 66 21.986 -7.000 -6.062 1.00 14.32 H new ATOM 1158 N ARG A 67 15.505 -3.968 -8.731 1.00 60.42 N ATOM 1159 CA ARG A 67 15.220 -2.738 -9.528 1.00 2.33 C ATOM 1160 C ARG A 67 13.887 -2.866 -10.317 1.00 23.53 C ATOM 1161 O ARG A 67 13.360 -3.969 -10.485 1.00 54.34 O ATOM 1162 CB ARG A 67 16.417 -2.436 -10.477 1.00 40.03 C ATOM 1163 CG ARG A 67 16.858 -3.645 -11.328 1.00 43.34 C ATOM 1164 CD ARG A 67 18.244 -3.448 -11.965 1.00 34.12 C ATOM 1165 NE ARG A 67 18.756 -4.706 -12.541 1.00 21.03 N ATOM 1166 CZ ARG A 67 20.005 -5.124 -12.477 1.00 64.31 C ATOM 1167 NH1 ARG A 67 20.943 -4.385 -11.956 1.00 22.44 N ATOM 1168 NH2 ARG A 67 20.309 -6.282 -12.951 1.00 61.31 N ATOM 0 H ARG A 67 14.976 -4.784 -9.039 1.00 60.42 H new ATOM 0 HA ARG A 67 15.100 -1.900 -8.842 1.00 2.33 H new ATOM 0 HB2 ARG A 67 16.144 -1.616 -11.141 1.00 40.03 H new ATOM 0 HB3 ARG A 67 17.264 -2.095 -9.881 1.00 40.03 H new ATOM 0 HG2 ARG A 67 16.873 -4.538 -10.703 1.00 43.34 H new ATOM 0 HG3 ARG A 67 16.123 -3.819 -12.114 1.00 43.34 H new ATOM 0 HD2 ARG A 67 18.183 -2.688 -12.744 1.00 34.12 H new ATOM 0 HD3 ARG A 67 18.942 -3.080 -11.214 1.00 34.12 H new ATOM 0 HE ARG A 67 18.088 -5.302 -13.030 1.00 21.03 H new ATOM 0 HH11 ARG A 67 20.718 -3.461 -11.586 1.00 22.44 H new ATOM 0 HH12 ARG A 67 21.902 -4.730 -11.918 1.00 22.44 H new ATOM 0 HH21 ARG A 67 19.587 -6.867 -13.371 1.00 61.31 H new ATOM 0 HH22 ARG A 67 21.272 -6.614 -12.906 1.00 61.31 H new ATOM 1182 N GLU A 68 13.361 -1.725 -10.807 1.00 74.02 N ATOM 1183 CA GLU A 68 11.986 -1.633 -11.384 1.00 71.44 C ATOM 1184 C GLU A 68 11.951 -1.437 -12.928 1.00 31.23 C ATOM 1185 O GLU A 68 10.963 -1.818 -13.572 1.00 75.03 O ATOM 1186 CB GLU A 68 11.218 -0.464 -10.706 1.00 33.42 C ATOM 1187 CG GLU A 68 11.887 0.918 -10.893 1.00 14.23 C ATOM 1188 CD GLU A 68 11.005 2.102 -10.477 1.00 1.21 C ATOM 1189 OE1 GLU A 68 9.957 2.307 -11.122 1.00 40.51 O ATOM 1190 OE2 GLU A 68 11.360 2.841 -9.536 1.00 52.15 O ATOM 0 H GLU A 68 13.868 -0.840 -10.818 1.00 74.02 H new ATOM 0 HA GLU A 68 11.511 -2.594 -11.185 1.00 71.44 H new ATOM 0 HB2 GLU A 68 10.206 -0.424 -11.110 1.00 33.42 H new ATOM 0 HB3 GLU A 68 11.128 -0.672 -9.640 1.00 33.42 H new ATOM 0 HG2 GLU A 68 12.810 0.945 -10.313 1.00 14.23 H new ATOM 0 HG3 GLU A 68 12.165 1.036 -11.940 1.00 14.23 H new ATOM 1197 N ARG A 69 13.009 -0.840 -13.508 1.00 11.13 N ATOM 1198 CA ARG A 69 13.017 -0.399 -14.933 1.00 5.04 C ATOM 1199 C ARG A 69 12.934 -1.584 -15.939 1.00 15.20 C ATOM 1200 O ARG A 69 12.429 -1.432 -17.054 1.00 31.44 O ATOM 1201 CB ARG A 69 14.287 0.441 -15.214 1.00 1.13 C ATOM 1202 CG ARG A 69 14.257 1.218 -16.560 1.00 60.44 C ATOM 1203 CD ARG A 69 15.618 1.819 -16.938 1.00 21.43 C ATOM 1204 NE ARG A 69 16.626 0.768 -17.175 1.00 30.32 N ATOM 1205 CZ ARG A 69 17.909 0.855 -16.901 1.00 3.33 C ATOM 1206 NH1 ARG A 69 18.428 1.938 -16.405 1.00 54.51 N ATOM 1207 NH2 ARG A 69 18.663 -0.159 -17.148 1.00 21.21 N ATOM 0 H ARG A 69 13.880 -0.647 -13.014 1.00 11.13 H new ATOM 0 HA ARG A 69 12.122 0.205 -15.083 1.00 5.04 H new ATOM 0 HB2 ARG A 69 14.424 1.153 -14.400 1.00 1.13 H new ATOM 0 HB3 ARG A 69 15.154 -0.220 -15.209 1.00 1.13 H new ATOM 0 HG2 ARG A 69 13.930 0.546 -17.354 1.00 60.44 H new ATOM 0 HG3 ARG A 69 13.519 2.017 -16.495 1.00 60.44 H new ATOM 0 HD2 ARG A 69 15.511 2.430 -17.834 1.00 21.43 H new ATOM 0 HD3 ARG A 69 15.960 2.479 -16.141 1.00 21.43 H new ATOM 0 HE ARG A 69 16.298 -0.105 -17.589 1.00 30.32 H new ATOM 0 HH11 ARG A 69 17.837 2.748 -16.219 1.00 54.51 H new ATOM 0 HH12 ARG A 69 19.427 1.978 -16.202 1.00 54.51 H new ATOM 0 HH21 ARG A 69 18.262 -1.007 -17.548 1.00 21.21 H new ATOM 0 HH22 ARG A 69 19.661 -0.114 -16.944 1.00 21.21 H new ATOM 1221 N PHE A 70 13.419 -2.760 -15.516 1.00 1.13 N ATOM 1222 CA PHE A 70 13.413 -3.993 -16.342 1.00 72.44 C ATOM 1223 C PHE A 70 12.011 -4.677 -16.372 1.00 35.33 C ATOM 1224 O PHE A 70 11.850 -5.735 -17.002 1.00 25.33 O ATOM 1225 CB PHE A 70 14.509 -4.972 -15.830 1.00 43.22 C ATOM 1226 CG PHE A 70 15.943 -4.498 -16.087 1.00 14.35 C ATOM 1227 CD1 PHE A 70 16.524 -3.496 -15.309 1.00 63.03 C ATOM 1228 CD2 PHE A 70 16.712 -5.055 -17.113 1.00 73.34 C ATOM 1229 CE1 PHE A 70 17.820 -3.071 -15.548 1.00 15.35 C ATOM 1230 CE2 PHE A 70 18.006 -4.631 -17.349 1.00 62.34 C ATOM 1231 CZ PHE A 70 18.562 -3.638 -16.565 1.00 34.44 C ATOM 0 H PHE A 70 13.829 -2.891 -14.591 1.00 1.13 H new ATOM 0 HA PHE A 70 13.639 -3.712 -17.371 1.00 72.44 H new ATOM 0 HB2 PHE A 70 14.374 -5.123 -14.759 1.00 43.22 H new ATOM 0 HB3 PHE A 70 14.367 -5.941 -16.308 1.00 43.22 H new ATOM 0 HD1 PHE A 70 15.955 -3.046 -14.509 1.00 63.03 H new ATOM 0 HD2 PHE A 70 16.287 -5.831 -17.733 1.00 73.34 H new ATOM 0 HE1 PHE A 70 18.252 -2.293 -14.936 1.00 15.35 H new ATOM 0 HE2 PHE A 70 18.583 -5.076 -18.146 1.00 62.34 H new ATOM 0 HZ PHE A 70 19.574 -3.307 -16.747 1.00 34.44 H new ATOM 1241 N GLY A 71 11.009 -4.062 -15.692 1.00 35.30 N ATOM 1242 CA GLY A 71 9.616 -4.551 -15.700 1.00 51.21 C ATOM 1243 C GLY A 71 8.960 -4.494 -17.092 1.00 32.45 C ATOM 1244 O GLY A 71 8.674 -3.405 -17.604 1.00 23.31 O ATOM 0 H GLY A 71 11.147 -3.222 -15.130 1.00 35.30 H new ATOM 0 HA2 GLY A 71 9.597 -5.579 -15.338 1.00 51.21 H new ATOM 0 HA3 GLY A 71 9.025 -3.957 -15.003 1.00 51.21 H new ATOM 1248 N GLN A 72 8.715 -5.675 -17.691 1.00 4.51 N ATOM 1249 CA GLN A 72 8.276 -5.803 -19.103 1.00 32.24 C ATOM 1250 C GLN A 72 6.786 -5.395 -19.306 1.00 60.21 C ATOM 1251 O GLN A 72 5.915 -5.786 -18.522 1.00 34.53 O ATOM 1252 CB GLN A 72 8.524 -7.262 -19.574 1.00 24.12 C ATOM 1253 CG GLN A 72 8.351 -7.498 -21.088 1.00 50.11 C ATOM 1254 CD GLN A 72 8.724 -8.919 -21.521 1.00 63.01 C ATOM 1255 OE1 GLN A 72 9.870 -9.199 -21.862 1.00 25.53 O ATOM 1256 NE2 GLN A 72 7.762 -9.821 -21.513 1.00 32.21 N ATOM 0 H GLN A 72 8.815 -6.571 -17.213 1.00 4.51 H new ATOM 0 HA GLN A 72 8.862 -5.111 -19.709 1.00 32.24 H new ATOM 0 HB2 GLN A 72 9.535 -7.552 -19.290 1.00 24.12 H new ATOM 0 HB3 GLN A 72 7.841 -7.921 -19.039 1.00 24.12 H new ATOM 0 HG2 GLN A 72 7.315 -7.300 -21.364 1.00 50.11 H new ATOM 0 HG3 GLN A 72 8.968 -6.784 -21.634 1.00 50.11 H new ATOM 0 HE21 GLN A 72 6.819 -9.559 -21.225 1.00 32.21 H new ATOM 0 HE22 GLN A 72 7.961 -10.781 -21.795 1.00 32.21 H new ATOM 1265 N MET A 73 6.521 -4.603 -20.367 1.00 72.45 N ATOM 1266 CA MET A 73 5.157 -4.130 -20.723 1.00 13.41 C ATOM 1267 C MET A 73 4.967 -4.084 -22.262 1.00 52.15 C ATOM 1268 O MET A 73 5.937 -3.972 -23.018 1.00 11.45 O ATOM 1269 CB MET A 73 4.895 -2.721 -20.111 1.00 15.45 C ATOM 1270 CG MET A 73 5.792 -1.597 -20.651 1.00 72.10 C ATOM 1271 SD MET A 73 5.417 0.018 -19.926 1.00 1.42 S ATOM 1272 CE MET A 73 6.518 1.095 -20.848 1.00 75.40 C ATOM 0 H MET A 73 7.245 -4.271 -21.004 1.00 72.45 H new ATOM 0 HA MET A 73 4.437 -4.837 -20.310 1.00 13.41 H new ATOM 0 HB2 MET A 73 3.854 -2.452 -20.291 1.00 15.45 H new ATOM 0 HB3 MET A 73 5.026 -2.782 -19.031 1.00 15.45 H new ATOM 0 HG2 MET A 73 6.835 -1.845 -20.452 1.00 72.10 H new ATOM 0 HG3 MET A 73 5.679 -1.538 -21.734 1.00 72.10 H new ATOM 0 HE1 MET A 73 6.393 2.122 -20.505 1.00 75.40 H new ATOM 0 HE2 MET A 73 7.550 0.782 -20.689 1.00 75.40 H new ATOM 0 HE3 MET A 73 6.280 1.035 -21.910 1.00 75.40 H new ATOM 1282 N GLN A 74 3.704 -4.178 -22.713 1.00 4.24 N ATOM 1283 CA GLN A 74 3.350 -4.072 -24.145 1.00 21.40 C ATOM 1284 C GLN A 74 3.064 -2.595 -24.515 1.00 40.34 C ATOM 1285 O GLN A 74 2.062 -2.029 -24.062 1.00 24.21 O ATOM 1286 CB GLN A 74 2.112 -4.961 -24.489 1.00 54.23 C ATOM 1287 CG GLN A 74 2.299 -6.489 -24.285 1.00 12.01 C ATOM 1288 CD GLN A 74 2.016 -7.000 -22.859 1.00 3.43 C ATOM 1289 OE1 GLN A 74 2.172 -6.291 -21.867 1.00 54.22 O ATOM 1290 NE2 GLN A 74 1.614 -8.250 -22.745 1.00 4.34 N ATOM 0 H GLN A 74 2.902 -4.329 -22.101 1.00 4.24 H new ATOM 0 HA GLN A 74 4.197 -4.431 -24.730 1.00 21.40 H new ATOM 0 HB2 GLN A 74 1.271 -4.632 -23.878 1.00 54.23 H new ATOM 0 HB3 GLN A 74 1.839 -4.783 -25.529 1.00 54.23 H new ATOM 0 HG2 GLN A 74 1.643 -7.015 -24.979 1.00 12.01 H new ATOM 0 HG3 GLN A 74 3.323 -6.752 -24.552 1.00 12.01 H new ATOM 0 HE21 GLN A 74 1.490 -8.824 -23.579 1.00 4.34 H new ATOM 0 HE22 GLN A 74 1.427 -8.643 -21.823 1.00 4.34 H new ATOM 1299 N GLN A 75 3.975 -1.995 -25.314 1.00 22.45 N ATOM 1300 CA GLN A 75 3.890 -0.585 -25.803 1.00 61.51 C ATOM 1301 C GLN A 75 4.025 0.469 -24.642 1.00 65.30 C ATOM 1302 O GLN A 75 3.010 0.819 -23.997 1.00 37.65 O ATOM 1303 CB GLN A 75 2.590 -0.364 -26.646 1.00 41.44 C ATOM 1304 CG GLN A 75 2.470 1.020 -27.340 1.00 41.20 C ATOM 1305 CD GLN A 75 1.203 1.179 -28.201 1.00 15.44 C ATOM 1306 OE1 GLN A 75 0.682 0.210 -28.751 1.00 52.11 O ATOM 1307 NE2 GLN A 75 0.710 2.401 -28.339 1.00 54.24 N ATOM 1308 OXT GLN A 75 5.157 0.943 -24.383 1.00 37.65 O ATOM 0 H GLN A 75 4.808 -2.479 -25.648 1.00 22.45 H new ATOM 0 HA GLN A 75 4.746 -0.420 -26.458 1.00 61.51 H new ATOM 0 HB2 GLN A 75 2.537 -1.140 -27.410 1.00 41.44 H new ATOM 0 HB3 GLN A 75 1.727 -0.500 -25.994 1.00 41.44 H new ATOM 0 HG2 GLN A 75 2.480 1.799 -26.578 1.00 41.20 H new ATOM 0 HG3 GLN A 75 3.347 1.178 -27.968 1.00 41.20 H new ATOM 0 HE21 GLN A 75 1.160 3.188 -27.872 1.00 54.24 H new ATOM 0 HE22 GLN A 75 -0.120 2.554 -28.912 1.00 54.24 H new TER 1317 GLN A 75