USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 729 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 49 ASN : amide:sc= -0.727 X(o=-1.3,f=-1.7!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ 162:sc= -0.58 (180deg=0) USER MOD Set 2.1: A 8 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.29) USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 8:sc= 0.524 USER MOD Single : A 15 SER OG : rot 148:sc= 1.22 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0925) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.13) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 170:sc= -0.0217 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= -0.153 (180deg=-0.66) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.4!) USER MOD Single : A 47 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.0347 X(o=-0.035,f=-0.072) USER MOD Single : A 52 SER OG : rot -120:sc= -0.183 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 62 SER OG : rot 33:sc= 1.29 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.98! C(o=-3!,f=-3.1!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 175:sc= -9.46! USER MOD Single : A 74 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.808 K(o=-0.81,f=-1.6!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.099 25.857 -4.142 1.00 0.00 N ATOM 2 CA GLY A 1 -21.605 24.594 -4.648 1.00 0.00 C ATOM 3 C GLY A 1 -20.721 23.422 -4.270 1.00 0.00 C ATOM 4 O GLY A 1 -20.962 22.753 -3.265 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.738 26.626 -4.427 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.045 25.818 -3.104 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.151 26.032 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.610 24.427 -4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.687 24.648 -5.734 1.00 0.00 H new ATOM 8 N SER A 2 -19.696 23.172 -5.078 1.00 0.00 N ATOM 9 CA SER A 2 -18.776 22.068 -4.826 1.00 0.00 C ATOM 10 C SER A 2 -17.603 22.106 -5.800 1.00 0.00 C ATOM 11 O SER A 2 -17.771 22.415 -6.980 1.00 0.00 O ATOM 12 CB SER A 2 -19.508 20.730 -4.942 1.00 0.00 C ATOM 13 OG SER A 2 -18.698 19.664 -4.476 1.00 0.00 O ATOM 0 H SER A 2 -19.481 23.718 -5.912 1.00 0.00 H new ATOM 0 HA SER A 2 -18.388 22.174 -3.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.433 20.767 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.786 20.553 -5.981 1.00 0.00 H new ATOM 0 HG SER A 2 -19.189 18.820 -4.559 1.00 0.00 H new ATOM 19 N SER A 3 -16.414 21.789 -5.298 1.00 0.00 N ATOM 20 CA SER A 3 -15.211 21.789 -6.122 1.00 0.00 C ATOM 21 C SER A 3 -14.569 20.406 -6.147 1.00 0.00 C ATOM 22 O SER A 3 -13.350 20.273 -6.044 1.00 0.00 O ATOM 23 CB SER A 3 -14.209 22.820 -5.598 1.00 0.00 C ATOM 24 OG SER A 3 -14.505 24.115 -6.090 1.00 0.00 O ATOM 0 H SER A 3 -16.258 21.529 -4.324 1.00 0.00 H new ATOM 0 HA SER A 3 -15.497 22.055 -7.139 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.228 22.829 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.200 22.536 -5.897 1.00 0.00 H new ATOM 0 HG SER A 3 -13.851 24.755 -5.739 1.00 0.00 H new ATOM 30 N GLY A 4 -15.399 19.377 -6.284 1.00 0.00 N ATOM 31 CA GLY A 4 -14.896 18.016 -6.320 1.00 0.00 C ATOM 32 C GLY A 4 -14.834 17.384 -4.943 1.00 0.00 C ATOM 33 O GLY A 4 -14.707 18.082 -3.938 1.00 0.00 O ATOM 0 H GLY A 4 -16.412 19.461 -6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.535 17.413 -6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.900 18.011 -6.764 1.00 0.00 H new ATOM 37 N SER A 5 -14.927 16.059 -4.898 1.00 0.00 N ATOM 38 CA SER A 5 -14.887 15.333 -3.634 1.00 0.00 C ATOM 39 C SER A 5 -13.535 14.651 -3.442 1.00 0.00 C ATOM 40 O SER A 5 -12.925 14.748 -2.377 1.00 0.00 O ATOM 41 CB SER A 5 -16.007 14.293 -3.583 1.00 0.00 C ATOM 42 OG SER A 5 -15.815 13.388 -2.509 1.00 0.00 O ATOM 0 H SER A 5 -15.031 15.467 -5.722 1.00 0.00 H new ATOM 0 HA SER A 5 -15.031 16.051 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.968 14.795 -3.472 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.040 13.744 -4.524 1.00 0.00 H new ATOM 0 HG SER A 5 -16.545 12.734 -2.497 1.00 0.00 H new ATOM 48 N SER A 6 -13.074 13.962 -4.480 1.00 0.00 N ATOM 49 CA SER A 6 -11.797 13.260 -4.426 1.00 0.00 C ATOM 50 C SER A 6 -10.776 13.918 -5.349 1.00 0.00 C ATOM 51 O SER A 6 -9.991 13.239 -6.009 1.00 0.00 O ATOM 52 CB SER A 6 -11.981 11.792 -4.815 1.00 0.00 C ATOM 53 OG SER A 6 -12.519 11.673 -6.120 1.00 0.00 O ATOM 0 H SER A 6 -13.566 13.875 -5.369 1.00 0.00 H new ATOM 0 HA SER A 6 -11.424 13.314 -3.403 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.022 11.277 -4.766 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.643 11.303 -4.100 1.00 0.00 H new ATOM 0 HG SER A 6 -12.625 10.725 -6.345 1.00 0.00 H new ATOM 59 N GLY A 7 -10.793 15.247 -5.388 1.00 0.00 N ATOM 60 CA GLY A 7 -9.865 15.976 -6.233 1.00 0.00 C ATOM 61 C GLY A 7 -8.960 16.897 -5.439 1.00 0.00 C ATOM 62 O GLY A 7 -7.755 16.667 -5.349 1.00 0.00 O ATOM 0 H GLY A 7 -11.433 15.832 -4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.255 15.267 -6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.425 16.562 -6.962 1.00 0.00 H new ATOM 66 N ASN A 8 -9.542 17.943 -4.862 1.00 0.00 N ATOM 67 CA ASN A 8 -8.778 18.904 -4.074 1.00 0.00 C ATOM 68 C ASN A 8 -8.881 18.589 -2.584 1.00 0.00 C ATOM 69 O ASN A 8 -9.657 17.726 -2.174 1.00 0.00 O ATOM 70 CB ASN A 8 -9.277 20.325 -4.341 1.00 0.00 C ATOM 71 CG ASN A 8 -8.228 21.375 -4.028 1.00 0.00 C ATOM 72 OD1 ASN A 8 -7.252 21.531 -4.763 1.00 0.00 O ATOM 73 ND2 ASN A 8 -8.424 22.099 -2.933 1.00 0.00 N ATOM 0 H ASN A 8 -10.539 18.147 -4.925 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.732 18.831 -4.372 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.574 20.412 -5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.167 20.514 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.751 22.819 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.247 21.935 -2.354 1.00 0.00 H new ATOM 80 N SER A 9 -8.093 19.295 -1.780 1.00 0.00 N ATOM 81 CA SER A 9 -8.092 19.088 -0.336 1.00 0.00 C ATOM 82 C SER A 9 -9.509 18.857 0.180 1.00 0.00 C ATOM 83 O SER A 9 -10.468 19.446 -0.319 1.00 0.00 O ATOM 84 CB SER A 9 -7.469 20.293 0.372 1.00 0.00 C ATOM 85 OG SER A 9 -8.236 21.464 0.156 1.00 0.00 O ATOM 0 H SER A 9 -7.447 20.015 -2.103 1.00 0.00 H new ATOM 0 HA SER A 9 -7.496 18.201 -0.121 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.397 20.093 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.453 20.448 0.008 1.00 0.00 H new ATOM 0 HG SER A 9 -7.818 22.219 0.620 1.00 0.00 H new ATOM 91 N THR A 10 -9.632 17.994 1.184 1.00 0.00 N ATOM 92 CA THR A 10 -10.931 17.683 1.768 1.00 0.00 C ATOM 93 C THR A 10 -11.043 18.237 3.184 1.00 0.00 C ATOM 94 O THR A 10 -12.144 18.415 3.705 1.00 0.00 O ATOM 95 CB THR A 10 -11.182 16.163 1.802 1.00 0.00 C ATOM 96 OG1 THR A 10 -11.108 15.625 0.477 1.00 0.00 O ATOM 97 CG2 THR A 10 -12.543 15.853 2.406 1.00 0.00 C ATOM 0 H THR A 10 -8.848 17.498 1.609 1.00 0.00 H new ATOM 0 HA THR A 10 -11.684 18.154 1.136 1.00 0.00 H new ATOM 0 HB THR A 10 -10.414 15.703 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.267 14.658 0.507 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.698 14.774 2.419 1.00 0.00 H new ATOM 0 HG22 THR A 10 -12.585 16.238 3.425 1.00 0.00 H new ATOM 0 HG23 THR A 10 -13.323 16.324 1.807 1.00 0.00 H new ATOM 105 N TRP A 11 -9.899 18.507 3.801 1.00 0.00 N ATOM 106 CA TRP A 11 -9.870 19.042 5.158 1.00 0.00 C ATOM 107 C TRP A 11 -8.875 20.192 5.268 1.00 0.00 C ATOM 108 O TRP A 11 -8.301 20.428 6.331 1.00 0.00 O ATOM 109 CB TRP A 11 -9.507 17.940 6.155 1.00 0.00 C ATOM 110 CG TRP A 11 -8.031 17.791 6.365 1.00 0.00 C ATOM 111 CD1 TRP A 11 -7.324 18.125 7.484 1.00 0.00 C ATOM 112 CD2 TRP A 11 -7.080 17.271 5.428 1.00 0.00 C ATOM 113 NE1 TRP A 11 -5.992 17.844 7.301 1.00 0.00 N ATOM 114 CE2 TRP A 11 -5.816 17.319 6.048 1.00 0.00 C ATOM 115 CE3 TRP A 11 -7.174 16.768 4.128 1.00 0.00 C ATOM 116 CZ2 TRP A 11 -4.658 16.884 5.410 1.00 0.00 C ATOM 117 CZ3 TRP A 11 -6.024 16.337 3.496 1.00 0.00 C ATOM 118 CH2 TRP A 11 -4.779 16.396 4.137 1.00 0.00 C ATOM 0 H TRP A 11 -8.979 18.365 3.384 1.00 0.00 H new ATOM 0 HA TRP A 11 -10.864 19.422 5.394 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -9.983 18.155 7.112 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.914 16.992 5.802 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.750 18.548 8.382 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.254 18.001 7.987 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.129 16.717 3.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.698 16.930 5.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -6.085 15.948 2.490 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.898 16.050 3.617 1.00 0.00 H new ATOM 129 N SER A 12 -8.676 20.905 4.164 1.00 0.00 N ATOM 130 CA SER A 12 -7.747 22.029 4.137 1.00 0.00 C ATOM 131 C SER A 12 -6.471 21.698 4.906 1.00 0.00 C ATOM 132 O SER A 12 -6.073 22.427 5.814 1.00 0.00 O ATOM 133 CB SER A 12 -8.405 23.276 4.731 1.00 0.00 C ATOM 134 OG SER A 12 -8.714 23.086 6.101 1.00 0.00 O ATOM 0 H SER A 12 -9.145 20.724 3.277 1.00 0.00 H new ATOM 0 HA SER A 12 -7.483 22.226 3.098 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.738 24.131 4.621 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.315 23.509 4.179 1.00 0.00 H new ATOM 0 HG SER A 12 -8.328 22.240 6.409 1.00 0.00 H new ATOM 140 N GLY A 13 -5.834 20.591 4.535 1.00 0.00 N ATOM 141 CA GLY A 13 -4.610 20.182 5.200 1.00 0.00 C ATOM 142 C GLY A 13 -3.755 19.278 4.334 1.00 0.00 C ATOM 143 O GLY A 13 -4.217 18.767 3.314 1.00 0.00 O ATOM 0 H GLY A 13 -6.143 19.971 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.036 21.067 5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.859 19.664 6.126 1.00 0.00 H new ATOM 147 N GLU A 14 -2.505 19.081 4.740 1.00 0.00 N ATOM 148 CA GLU A 14 -1.583 18.235 3.992 1.00 0.00 C ATOM 149 C GLU A 14 -1.028 17.121 4.876 1.00 0.00 C ATOM 150 O GLU A 14 -0.258 17.374 5.802 1.00 0.00 O ATOM 151 CB GLU A 14 -0.434 19.071 3.424 1.00 0.00 C ATOM 152 CG GLU A 14 0.445 19.701 4.491 1.00 0.00 C ATOM 153 CD GLU A 14 1.130 20.966 4.010 1.00 0.00 C ATOM 154 OE1 GLU A 14 0.425 21.875 3.525 1.00 0.00 O ATOM 155 OE2 GLU A 14 2.371 21.046 4.121 1.00 0.00 O ATOM 0 H GLU A 14 -2.108 19.496 5.583 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.134 17.781 3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.182 18.439 2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.846 19.858 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.162 19.931 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.200 18.981 4.806 1.00 0.00 H new ATOM 162 N SER A 15 -1.426 15.887 4.582 1.00 0.00 N ATOM 163 CA SER A 15 -0.973 14.735 5.352 1.00 0.00 C ATOM 164 C SER A 15 -0.293 13.711 4.448 1.00 0.00 C ATOM 165 O SER A 15 -0.952 13.002 3.686 1.00 0.00 O ATOM 166 CB SER A 15 -2.151 14.086 6.080 1.00 0.00 C ATOM 167 OG SER A 15 -1.701 13.188 7.080 1.00 0.00 O ATOM 0 H SER A 15 -2.061 15.660 3.817 1.00 0.00 H new ATOM 0 HA SER A 15 -0.248 15.083 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.772 14.858 6.533 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.776 13.554 5.364 1.00 0.00 H new ATOM 0 HG SER A 15 -2.334 13.187 7.828 1.00 0.00 H new ATOM 173 N LYS A 16 1.031 13.639 4.536 1.00 0.00 N ATOM 174 CA LYS A 16 1.802 12.702 3.729 1.00 0.00 C ATOM 175 C LYS A 16 1.788 11.309 4.349 1.00 0.00 C ATOM 176 O LYS A 16 2.543 10.427 3.938 1.00 0.00 O ATOM 177 CB LYS A 16 3.245 13.192 3.581 1.00 0.00 C ATOM 178 CG LYS A 16 3.962 13.379 4.907 1.00 0.00 C ATOM 179 CD LYS A 16 4.438 12.054 5.476 1.00 0.00 C ATOM 180 CE LYS A 16 5.421 12.258 6.619 1.00 0.00 C ATOM 181 NZ LYS A 16 4.848 13.111 7.697 1.00 0.00 N ATOM 0 H LYS A 16 1.592 14.219 5.159 1.00 0.00 H new ATOM 0 HA LYS A 16 1.341 12.646 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.802 12.478 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.245 14.139 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.815 14.044 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.292 13.862 5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.581 11.480 5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.911 11.468 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.703 11.290 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.332 12.719 6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.474 13.089 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.760 14.089 7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.909 12.751 7.962 1.00 0.00 H new ATOM 195 N THR A 17 0.923 11.115 5.340 1.00 0.00 N ATOM 196 CA THR A 17 0.810 9.830 6.016 1.00 0.00 C ATOM 197 C THR A 17 -0.528 9.165 5.715 1.00 0.00 C ATOM 198 O THR A 17 -1.567 9.574 6.235 1.00 0.00 O ATOM 199 CB THR A 17 0.963 9.982 7.541 1.00 0.00 C ATOM 200 OG1 THR A 17 2.213 10.610 7.848 1.00 0.00 O ATOM 201 CG2 THR A 17 0.887 8.628 8.231 1.00 0.00 C ATOM 0 H THR A 17 0.290 11.833 5.692 1.00 0.00 H new ATOM 0 HA THR A 17 1.617 9.203 5.638 1.00 0.00 H new ATOM 0 HB THR A 17 0.145 10.604 7.905 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.302 10.705 8.819 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.998 8.761 9.307 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.077 8.166 8.020 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.686 7.986 7.861 1.00 0.00 H new ATOM 209 N LEU A 18 -0.497 8.139 4.872 1.00 0.00 N ATOM 210 CA LEU A 18 -1.709 7.416 4.501 1.00 0.00 C ATOM 211 C LEU A 18 -1.972 6.263 5.465 1.00 0.00 C ATOM 212 O LEU A 18 -1.051 5.545 5.855 1.00 0.00 O ATOM 213 CB LEU A 18 -1.593 6.885 3.072 1.00 0.00 C ATOM 214 CG LEU A 18 -1.063 7.871 2.030 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.888 7.184 0.685 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.997 9.066 1.904 1.00 0.00 C ATOM 0 H LEU A 18 0.354 7.789 4.432 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.548 8.110 4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.940 6.012 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.577 6.543 2.752 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.088 8.230 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.510 7.901 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.179 6.362 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.849 6.796 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.605 9.757 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.986 8.724 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.071 9.573 2.866 1.00 0.00 H new ATOM 228 N VAL A 19 -3.234 6.090 5.842 1.00 0.00 N ATOM 229 CA VAL A 19 -3.619 5.022 6.757 1.00 0.00 C ATOM 230 C VAL A 19 -4.312 3.885 6.014 1.00 0.00 C ATOM 231 O VAL A 19 -5.391 4.066 5.447 1.00 0.00 O ATOM 232 CB VAL A 19 -4.554 5.542 7.865 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.836 4.447 8.883 1.00 0.00 C ATOM 234 CG2 VAL A 19 -3.953 6.766 8.539 1.00 0.00 C ATOM 0 H VAL A 19 -4.008 6.676 5.528 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.701 4.649 7.212 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.500 5.835 7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.498 4.833 9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.313 3.602 8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.899 4.121 9.335 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.627 7.120 9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.992 6.503 8.982 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.808 7.554 7.800 1.00 0.00 H new ATOM 244 N LEU A 20 -3.686 2.713 6.021 1.00 0.00 N ATOM 245 CA LEU A 20 -4.243 1.545 5.348 1.00 0.00 C ATOM 246 C LEU A 20 -5.226 0.811 6.255 1.00 0.00 C ATOM 247 O LEU A 20 -5.019 0.717 7.464 1.00 0.00 O ATOM 248 CB LEU A 20 -3.122 0.596 4.920 1.00 0.00 C ATOM 249 CG LEU A 20 -3.460 -0.374 3.787 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.192 -0.845 3.092 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.250 -1.560 4.320 1.00 0.00 C ATOM 0 H LEU A 20 -2.793 2.547 6.485 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.779 1.888 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.263 1.194 4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.813 0.015 5.789 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.077 0.150 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.452 -1.534 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.664 0.014 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.550 -1.352 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.482 -2.240 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.658 -2.084 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.177 -1.206 4.772 1.00 0.00 H new ATOM 263 N SER A 21 -6.296 0.292 5.661 1.00 0.00 N ATOM 264 CA SER A 21 -7.313 -0.432 6.415 1.00 0.00 C ATOM 265 C SER A 21 -7.700 -1.724 5.702 1.00 0.00 C ATOM 266 O SER A 21 -7.752 -1.777 4.474 1.00 0.00 O ATOM 267 CB SER A 21 -8.550 0.444 6.615 1.00 0.00 C ATOM 268 OG SER A 21 -8.231 1.619 7.340 1.00 0.00 O ATOM 0 H SER A 21 -6.481 0.359 4.660 1.00 0.00 H new ATOM 0 HA SER A 21 -6.896 -0.686 7.389 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.969 0.714 5.646 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.316 -0.119 7.148 1.00 0.00 H new ATOM 0 HG SER A 21 -9.038 2.163 7.453 1.00 0.00 H new ATOM 274 N ASN A 22 -7.972 -2.765 6.483 1.00 0.00 N ATOM 275 CA ASN A 22 -8.354 -4.058 5.927 1.00 0.00 C ATOM 276 C ASN A 22 -7.151 -4.762 5.308 1.00 0.00 C ATOM 277 O ASN A 22 -7.264 -5.409 4.266 1.00 0.00 O ATOM 278 CB ASN A 22 -9.452 -3.881 4.876 1.00 0.00 C ATOM 279 CG ASN A 22 -10.235 -5.157 4.637 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.178 -5.465 5.365 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.846 -5.906 3.611 1.00 0.00 N ATOM 0 H ASN A 22 -7.935 -2.738 7.502 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.735 -4.676 6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.134 -3.094 5.197 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.004 -3.552 3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.335 -6.776 3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.058 -5.611 3.034 1.00 0.00 H new ATOM 288 N LEU A 23 -5.998 -4.631 5.955 1.00 0.00 N ATOM 289 CA LEU A 23 -4.772 -5.255 5.469 1.00 0.00 C ATOM 290 C LEU A 23 -4.747 -6.742 5.806 1.00 0.00 C ATOM 291 O LEU A 23 -4.935 -7.131 6.959 1.00 0.00 O ATOM 292 CB LEU A 23 -3.550 -4.562 6.074 1.00 0.00 C ATOM 293 CG LEU A 23 -2.244 -4.702 5.292 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.103 -4.021 6.032 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.923 -6.170 5.047 1.00 0.00 C ATOM 0 H LEU A 23 -5.886 -4.098 6.818 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.743 -5.147 4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.775 -3.501 6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.393 -4.957 7.078 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.367 -4.212 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.182 -4.131 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.330 -2.962 6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.979 -4.481 7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.990 -6.250 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.820 -6.684 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.729 -6.628 4.474 1.00 0.00 H new ATOM 307 N SER A 24 -4.512 -7.570 4.793 1.00 0.00 N ATOM 308 CA SER A 24 -4.463 -9.015 4.982 1.00 0.00 C ATOM 309 C SER A 24 -3.199 -9.423 5.733 1.00 0.00 C ATOM 310 O SER A 24 -2.101 -8.967 5.415 1.00 0.00 O ATOM 311 CB SER A 24 -4.520 -9.729 3.630 1.00 0.00 C ATOM 312 OG SER A 24 -4.726 -11.121 3.797 1.00 0.00 O ATOM 0 H SER A 24 -4.353 -7.265 3.833 1.00 0.00 H new ATOM 0 HA SER A 24 -5.328 -9.308 5.577 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.325 -9.309 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.591 -9.558 3.086 1.00 0.00 H new ATOM 0 HG SER A 24 -4.760 -11.554 2.919 1.00 0.00 H new ATOM 318 N TYR A 25 -3.364 -10.284 6.731 1.00 0.00 N ATOM 319 CA TYR A 25 -2.238 -10.752 7.530 1.00 0.00 C ATOM 320 C TYR A 25 -1.114 -11.269 6.637 1.00 0.00 C ATOM 321 O TYR A 25 0.066 -11.089 6.939 1.00 0.00 O ATOM 322 CB TYR A 25 -2.689 -11.854 8.489 1.00 0.00 C ATOM 323 CG TYR A 25 -4.112 -11.689 8.975 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.464 -10.633 9.807 1.00 0.00 C ATOM 325 CD2 TYR A 25 -5.103 -12.589 8.604 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.762 -10.478 10.254 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.404 -12.441 9.045 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.728 -11.384 9.870 1.00 0.00 C ATOM 329 OH TYR A 25 -8.022 -11.234 10.312 1.00 0.00 O ATOM 0 H TYR A 25 -4.266 -10.672 7.006 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.860 -9.909 8.108 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.594 -12.819 7.991 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.020 -11.872 9.349 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.710 -9.921 10.109 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.852 -13.419 7.960 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.019 -9.652 10.901 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.163 -13.149 8.746 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.577 -11.955 9.949 1.00 0.00 H new ATOM 339 N SER A 26 -1.489 -11.911 5.535 1.00 0.00 N ATOM 340 CA SER A 26 -0.514 -12.457 4.599 1.00 0.00 C ATOM 341 C SER A 26 0.301 -11.341 3.952 1.00 0.00 C ATOM 342 O SER A 26 1.420 -11.563 3.491 1.00 0.00 O ATOM 343 CB SER A 26 -1.219 -13.281 3.519 1.00 0.00 C ATOM 344 OG SER A 26 -1.380 -14.628 3.930 1.00 0.00 O ATOM 0 H SER A 26 -2.461 -12.066 5.269 1.00 0.00 H new ATOM 0 HA SER A 26 0.165 -13.104 5.155 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.194 -12.844 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.642 -13.246 2.595 1.00 0.00 H new ATOM 0 HG SER A 26 -1.834 -15.133 3.224 1.00 0.00 H new ATOM 350 N ALA A 27 -0.269 -10.141 3.922 1.00 0.00 N ATOM 351 CA ALA A 27 0.405 -8.990 3.334 1.00 0.00 C ATOM 352 C ALA A 27 1.316 -8.310 4.349 1.00 0.00 C ATOM 353 O ALA A 27 0.939 -8.113 5.505 1.00 0.00 O ATOM 354 CB ALA A 27 -0.617 -8.001 2.792 1.00 0.00 C ATOM 0 H ALA A 27 -1.196 -9.941 4.298 1.00 0.00 H new ATOM 0 HA ALA A 27 1.024 -9.344 2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.100 -7.146 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.224 -8.487 2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.260 -7.661 3.604 1.00 0.00 H new ATOM 360 N THR A 28 2.519 -7.952 3.911 1.00 0.00 N ATOM 361 CA THR A 28 3.486 -7.295 4.782 1.00 0.00 C ATOM 362 C THR A 28 4.153 -6.120 4.076 1.00 0.00 C ATOM 363 O THR A 28 3.914 -5.879 2.893 1.00 0.00 O ATOM 364 CB THR A 28 4.572 -8.277 5.258 1.00 0.00 C ATOM 365 OG1 THR A 28 5.497 -8.537 4.196 1.00 0.00 O ATOM 366 CG2 THR A 28 3.952 -9.585 5.727 1.00 0.00 C ATOM 0 H THR A 28 2.847 -8.106 2.958 1.00 0.00 H new ATOM 0 HA THR A 28 2.934 -6.929 5.647 1.00 0.00 H new ATOM 0 HB THR A 28 5.099 -7.822 6.096 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.268 -9.029 4.547 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.739 -10.262 6.058 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.270 -9.388 6.554 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.402 -10.042 4.905 1.00 0.00 H new ATOM 374 N GLU A 29 4.991 -5.393 4.809 1.00 0.00 N ATOM 375 CA GLU A 29 5.692 -4.243 4.251 1.00 0.00 C ATOM 376 C GLU A 29 6.217 -4.552 2.852 1.00 0.00 C ATOM 377 O GLU A 29 6.399 -3.651 2.034 1.00 0.00 O ATOM 378 CB GLU A 29 6.850 -3.832 5.162 1.00 0.00 C ATOM 379 CG GLU A 29 6.447 -2.861 6.259 1.00 0.00 C ATOM 380 CD GLU A 29 7.298 -3.002 7.506 1.00 0.00 C ATOM 381 OE1 GLU A 29 7.079 -3.966 8.268 1.00 0.00 O ATOM 382 OE2 GLU A 29 8.184 -2.147 7.718 1.00 0.00 O ATOM 0 H GLU A 29 5.201 -5.580 5.790 1.00 0.00 H new ATOM 0 HA GLU A 29 4.984 -3.418 4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.277 -4.725 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.634 -3.378 4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.527 -1.841 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.401 -3.025 6.517 1.00 0.00 H new ATOM 389 N GLU A 30 6.457 -5.832 2.586 1.00 0.00 N ATOM 390 CA GLU A 30 6.962 -6.260 1.286 1.00 0.00 C ATOM 391 C GLU A 30 5.939 -5.987 0.188 1.00 0.00 C ATOM 392 O GLU A 30 6.259 -5.392 -0.842 1.00 0.00 O ATOM 393 CB GLU A 30 7.311 -7.750 1.315 1.00 0.00 C ATOM 394 CG GLU A 30 8.727 -8.035 1.785 1.00 0.00 C ATOM 395 CD GLU A 30 8.911 -9.468 2.245 1.00 0.00 C ATOM 396 OE1 GLU A 30 8.030 -9.977 2.969 1.00 0.00 O ATOM 397 OE2 GLU A 30 9.937 -10.080 1.881 1.00 0.00 O ATOM 0 H GLU A 30 6.310 -6.590 3.252 1.00 0.00 H new ATOM 0 HA GLU A 30 7.864 -5.687 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.609 -8.266 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.179 -8.165 0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.424 -7.825 0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.977 -7.360 2.603 1.00 0.00 H new ATOM 404 N THR A 31 4.705 -6.426 0.414 1.00 0.00 N ATOM 405 CA THR A 31 3.634 -6.231 -0.555 1.00 0.00 C ATOM 406 C THR A 31 3.311 -4.752 -0.728 1.00 0.00 C ATOM 407 O THR A 31 2.972 -4.303 -1.824 1.00 0.00 O ATOM 408 CB THR A 31 2.354 -6.979 -0.137 1.00 0.00 C ATOM 409 OG1 THR A 31 2.658 -8.349 0.147 1.00 0.00 O ATOM 410 CG2 THR A 31 1.301 -6.904 -1.232 1.00 0.00 C ATOM 0 H THR A 31 4.422 -6.920 1.261 1.00 0.00 H new ATOM 0 HA THR A 31 3.989 -6.636 -1.503 1.00 0.00 H new ATOM 0 HB THR A 31 1.957 -6.502 0.759 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.839 -8.817 0.414 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.406 -7.439 -0.914 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.050 -5.861 -1.425 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.691 -7.358 -2.143 1.00 0.00 H new ATOM 418 N LEU A 32 3.419 -3.997 0.360 1.00 0.00 N ATOM 419 CA LEU A 32 3.139 -2.565 0.328 1.00 0.00 C ATOM 420 C LEU A 32 4.244 -1.810 -0.404 1.00 0.00 C ATOM 421 O LEU A 32 3.978 -0.850 -1.126 1.00 0.00 O ATOM 422 CB LEU A 32 2.992 -2.023 1.751 1.00 0.00 C ATOM 423 CG LEU A 32 2.070 -2.815 2.679 1.00 0.00 C ATOM 424 CD1 LEU A 32 1.976 -2.142 4.040 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.689 -2.964 2.059 1.00 0.00 C ATOM 0 H LEU A 32 3.698 -4.352 1.275 1.00 0.00 H new ATOM 0 HA LEU A 32 2.203 -2.414 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.982 -1.979 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.623 -0.999 1.692 1.00 0.00 H new ATOM 0 HG LEU A 32 2.493 -3.810 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.316 -2.720 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.968 -2.089 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.577 -1.135 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.047 -3.530 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.258 -1.977 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.772 -3.491 1.109 1.00 0.00 H new ATOM 437 N GLN A 33 5.483 -2.252 -0.213 1.00 0.00 N ATOM 438 CA GLN A 33 6.627 -1.619 -0.856 1.00 0.00 C ATOM 439 C GLN A 33 6.516 -1.708 -2.375 1.00 0.00 C ATOM 440 O GLN A 33 7.219 -1.005 -3.100 1.00 0.00 O ATOM 441 CB GLN A 33 7.929 -2.273 -0.389 1.00 0.00 C ATOM 442 CG GLN A 33 8.513 -1.637 0.863 1.00 0.00 C ATOM 443 CD GLN A 33 9.465 -0.500 0.550 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.685 -0.661 0.612 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.913 0.659 0.210 1.00 0.00 N ATOM 0 H GLN A 33 5.719 -3.046 0.382 1.00 0.00 H new ATOM 0 HA GLN A 33 6.635 -0.567 -0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.747 -3.331 -0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.663 -2.216 -1.192 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.702 -1.265 1.489 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.039 -2.397 1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.898 0.748 0.171 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.504 1.460 -0.012 1.00 0.00 H new ATOM 454 N GLU A 34 5.630 -2.578 -2.848 1.00 0.00 N ATOM 455 CA GLU A 34 5.428 -2.760 -4.281 1.00 0.00 C ATOM 456 C GLU A 34 4.350 -1.815 -4.803 1.00 0.00 C ATOM 457 O GLU A 34 4.521 -1.170 -5.838 1.00 0.00 O ATOM 458 CB GLU A 34 5.043 -4.209 -4.585 1.00 0.00 C ATOM 459 CG GLU A 34 6.058 -5.225 -4.090 1.00 0.00 C ATOM 460 CD GLU A 34 7.188 -5.449 -5.076 1.00 0.00 C ATOM 461 OE1 GLU A 34 7.948 -4.493 -5.335 1.00 0.00 O ATOM 462 OE2 GLU A 34 7.312 -6.581 -5.588 1.00 0.00 O ATOM 0 H GLU A 34 5.041 -3.168 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 34 6.366 -2.528 -4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.076 -4.422 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.921 -4.325 -5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.472 -4.887 -3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.554 -6.173 -3.899 1.00 0.00 H new ATOM 469 N VAL A 35 3.237 -1.739 -4.080 1.00 0.00 N ATOM 470 CA VAL A 35 2.130 -0.874 -4.468 1.00 0.00 C ATOM 471 C VAL A 35 2.517 0.597 -4.357 1.00 0.00 C ATOM 472 O VAL A 35 2.182 1.405 -5.223 1.00 0.00 O ATOM 473 CB VAL A 35 0.884 -1.133 -3.601 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.283 -0.280 -4.074 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.518 -2.610 -3.621 1.00 0.00 C ATOM 0 H VAL A 35 3.078 -2.267 -3.222 1.00 0.00 H new ATOM 0 HA VAL A 35 1.895 -1.108 -5.506 1.00 0.00 H new ATOM 0 HB VAL A 35 1.114 -0.853 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.154 -0.477 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.016 0.774 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.517 -0.525 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.365 -2.775 -3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.307 -2.919 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.349 -3.196 -3.229 1.00 0.00 H new ATOM 485 N PHE A 36 3.224 0.937 -3.285 1.00 0.00 N ATOM 486 CA PHE A 36 3.657 2.311 -3.059 1.00 0.00 C ATOM 487 C PHE A 36 5.157 2.455 -3.296 1.00 0.00 C ATOM 488 O PHE A 36 5.969 2.047 -2.466 1.00 0.00 O ATOM 489 CB PHE A 36 3.310 2.750 -1.635 1.00 0.00 C ATOM 490 CG PHE A 36 1.902 2.417 -1.231 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.857 3.270 -1.548 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.624 1.252 -0.535 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.439 2.966 -1.177 1.00 0.00 C ATOM 494 CE2 PHE A 36 0.330 0.943 -0.162 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.704 1.801 -0.484 1.00 0.00 C ATOM 0 H PHE A 36 3.509 0.280 -2.559 1.00 0.00 H new ATOM 0 HA PHE A 36 3.132 2.952 -3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.001 2.275 -0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.459 3.826 -1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.057 4.182 -2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.428 0.577 -0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.245 3.639 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.127 0.032 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.717 1.561 -0.195 1.00 0.00 H new ATOM 505 N GLU A 37 5.517 3.037 -4.436 1.00 0.00 N ATOM 506 CA GLU A 37 6.920 3.234 -4.783 1.00 0.00 C ATOM 507 C GLU A 37 7.432 4.567 -4.247 1.00 0.00 C ATOM 508 O GLU A 37 8.631 4.743 -4.029 1.00 0.00 O ATOM 509 CB GLU A 37 7.105 3.177 -6.301 1.00 0.00 C ATOM 510 CG GLU A 37 6.709 1.844 -6.913 1.00 0.00 C ATOM 511 CD GLU A 37 7.839 0.834 -6.894 1.00 0.00 C ATOM 512 OE1 GLU A 37 8.659 0.842 -7.835 1.00 0.00 O ATOM 513 OE2 GLU A 37 7.904 0.035 -5.936 1.00 0.00 O ATOM 0 H GLU A 37 4.857 3.380 -5.134 1.00 0.00 H new ATOM 0 HA GLU A 37 7.497 2.432 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.513 3.968 -6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.149 3.381 -6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.855 1.439 -6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.386 2.003 -7.942 1.00 0.00 H new ATOM 520 N LYS A 38 6.514 5.505 -4.036 1.00 0.00 N ATOM 521 CA LYS A 38 6.870 6.823 -3.524 1.00 0.00 C ATOM 522 C LYS A 38 6.919 6.820 -1.999 1.00 0.00 C ATOM 523 O LYS A 38 7.492 7.719 -1.386 1.00 0.00 O ATOM 524 CB LYS A 38 5.865 7.870 -4.010 1.00 0.00 C ATOM 525 CG LYS A 38 5.512 7.736 -5.482 1.00 0.00 C ATOM 526 CD LYS A 38 6.568 8.373 -6.369 1.00 0.00 C ATOM 527 CE LYS A 38 6.410 7.944 -7.820 1.00 0.00 C ATOM 528 NZ LYS A 38 6.557 6.471 -7.982 1.00 0.00 N ATOM 0 H LYS A 38 5.518 5.376 -4.212 1.00 0.00 H new ATOM 0 HA LYS A 38 7.861 7.076 -3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.954 7.789 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.274 8.865 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.409 6.681 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.546 8.206 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.496 9.458 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.560 8.095 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.431 8.254 -8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.155 8.453 -8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.848 6.256 -8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.278 6.119 -7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.648 6.007 -7.782 1.00 0.00 H new ATOM 542 N ALA A 39 6.314 5.802 -1.395 1.00 0.00 N ATOM 543 CA ALA A 39 6.293 5.681 0.058 1.00 0.00 C ATOM 544 C ALA A 39 7.705 5.706 0.632 1.00 0.00 C ATOM 545 O ALA A 39 8.467 4.751 0.477 1.00 0.00 O ATOM 546 CB ALA A 39 5.575 4.404 0.470 1.00 0.00 C ATOM 0 H ALA A 39 5.833 5.050 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 39 5.751 6.536 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.566 4.326 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.550 4.427 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.094 3.543 0.049 1.00 0.00 H new ATOM 552 N THR A 40 8.050 6.804 1.297 1.00 0.00 N ATOM 553 CA THR A 40 9.371 6.954 1.893 1.00 0.00 C ATOM 554 C THR A 40 9.560 5.993 3.061 1.00 0.00 C ATOM 555 O THR A 40 10.687 5.694 3.456 1.00 0.00 O ATOM 556 CB THR A 40 9.606 8.395 2.385 1.00 0.00 C ATOM 557 OG1 THR A 40 8.753 8.676 3.500 1.00 0.00 O ATOM 558 CG2 THR A 40 9.340 9.397 1.272 1.00 0.00 C ATOM 0 H THR A 40 7.432 7.603 1.436 1.00 0.00 H new ATOM 0 HA THR A 40 10.097 6.721 1.114 1.00 0.00 H new ATOM 0 HB THR A 40 10.648 8.486 2.692 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.909 9.593 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.512 10.407 1.643 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.010 9.198 0.436 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.306 9.304 0.939 1.00 0.00 H new ATOM 566 N PHE A 41 8.450 5.510 3.609 1.00 0.00 N ATOM 567 CA PHE A 41 8.493 4.582 4.732 1.00 0.00 C ATOM 568 C PHE A 41 7.148 3.885 4.914 1.00 0.00 C ATOM 569 O PHE A 41 6.095 4.518 4.846 1.00 0.00 O ATOM 570 CB PHE A 41 8.876 5.320 6.017 1.00 0.00 C ATOM 571 CG PHE A 41 9.439 4.421 7.080 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.782 4.082 7.079 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.625 3.915 8.081 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.303 3.254 8.056 1.00 0.00 C ATOM 575 CE2 PHE A 41 9.140 3.088 9.061 1.00 0.00 C ATOM 576 CZ PHE A 41 10.481 2.758 9.049 1.00 0.00 C ATOM 0 H PHE A 41 7.509 5.746 3.293 1.00 0.00 H new ATOM 0 HA PHE A 41 9.248 3.826 4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.609 6.091 5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.996 5.828 6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.430 4.469 6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.576 4.170 8.095 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.351 2.995 8.043 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.495 2.700 9.835 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.886 2.113 9.815 1.00 0.00 H new ATOM 586 N ILE A 42 7.193 2.577 5.146 1.00 0.00 N ATOM 587 CA ILE A 42 5.978 1.794 5.338 1.00 0.00 C ATOM 588 C ILE A 42 6.019 1.031 6.658 1.00 0.00 C ATOM 589 O ILE A 42 7.009 0.371 6.977 1.00 0.00 O ATOM 590 CB ILE A 42 5.765 0.793 4.187 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.598 1.537 2.860 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.554 -0.084 4.465 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.484 0.620 1.663 1.00 0.00 C ATOM 0 H ILE A 42 8.057 2.038 5.206 1.00 0.00 H new ATOM 0 HA ILE A 42 5.147 2.500 5.354 1.00 0.00 H new ATOM 0 HB ILE A 42 6.644 0.152 4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.708 2.163 2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.448 2.204 2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.417 -0.786 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.710 -0.637 5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.666 0.541 4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.368 1.216 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.385 0.011 1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.617 -0.029 1.783 1.00 0.00 H new ATOM 605 N LYS A 43 4.937 1.125 7.423 1.00 0.00 N ATOM 606 CA LYS A 43 4.846 0.442 8.708 1.00 0.00 C ATOM 607 C LYS A 43 3.595 -0.428 8.775 1.00 0.00 C ATOM 608 O LYS A 43 2.497 0.020 8.444 1.00 0.00 O ATOM 609 CB LYS A 43 4.833 1.461 9.851 1.00 0.00 C ATOM 610 CG LYS A 43 5.250 0.878 11.190 1.00 0.00 C ATOM 611 CD LYS A 43 6.762 0.826 11.329 1.00 0.00 C ATOM 612 CE LYS A 43 7.188 -0.131 12.432 1.00 0.00 C ATOM 613 NZ LYS A 43 8.658 -0.091 12.664 1.00 0.00 N ATOM 0 H LYS A 43 4.110 1.668 7.175 1.00 0.00 H new ATOM 0 HA LYS A 43 5.720 -0.201 8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.500 2.285 9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.831 1.879 9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.830 1.479 11.996 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.839 -0.126 11.294 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.205 0.513 10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.143 1.824 11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.668 0.124 13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.890 -1.146 12.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.908 -0.757 13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.155 -0.359 11.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.940 0.871 12.941 1.00 0.00 H new ATOM 627 N VAL A 44 3.768 -1.673 9.205 1.00 0.00 N ATOM 628 CA VAL A 44 2.652 -2.605 9.318 1.00 0.00 C ATOM 629 C VAL A 44 2.684 -3.342 10.652 1.00 0.00 C ATOM 630 O VAL A 44 3.408 -4.323 10.830 1.00 0.00 O ATOM 631 CB VAL A 44 2.664 -3.636 8.173 1.00 0.00 C ATOM 632 CG1 VAL A 44 3.999 -4.364 8.125 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.516 -4.621 8.331 1.00 0.00 C ATOM 0 H VAL A 44 4.670 -2.060 9.481 1.00 0.00 H new ATOM 0 HA VAL A 44 1.738 -2.014 9.255 1.00 0.00 H new ATOM 0 HB VAL A 44 2.531 -3.107 7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.989 -5.088 7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.800 -3.644 7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.165 -4.882 9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.540 -5.342 7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.615 -5.146 9.281 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.569 -4.082 8.312 1.00 0.00 H new ATOM 643 N PRO A 45 1.881 -2.862 11.613 1.00 0.00 N ATOM 644 CA PRO A 45 1.798 -3.462 12.948 1.00 0.00 C ATOM 645 C PRO A 45 1.122 -4.828 12.929 1.00 0.00 C ATOM 646 O PRO A 45 -0.002 -4.967 12.446 1.00 0.00 O ATOM 647 CB PRO A 45 0.954 -2.457 13.736 1.00 0.00 C ATOM 648 CG PRO A 45 0.136 -1.759 12.705 1.00 0.00 C ATOM 649 CD PRO A 45 0.992 -1.697 11.470 1.00 0.00 C ATOM 0 HA PRO A 45 2.784 -3.640 13.377 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.323 -2.959 14.469 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.583 -1.755 14.284 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.791 -2.299 12.511 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.141 -0.759 13.038 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.392 -1.758 10.562 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.555 -0.765 11.418 1.00 0.00 H new ATOM 657 N GLN A 46 1.813 -5.833 13.458 1.00 0.00 N ATOM 658 CA GLN A 46 1.277 -7.188 13.501 1.00 0.00 C ATOM 659 C GLN A 46 1.256 -7.720 14.930 1.00 0.00 C ATOM 660 O GLN A 46 1.763 -7.078 15.849 1.00 0.00 O ATOM 661 CB GLN A 46 2.106 -8.115 12.611 1.00 0.00 C ATOM 662 CG GLN A 46 2.236 -7.627 11.178 1.00 0.00 C ATOM 663 CD GLN A 46 3.433 -8.224 10.464 1.00 0.00 C ATOM 664 OE1 GLN A 46 4.457 -8.515 11.082 1.00 0.00 O ATOM 665 NE2 GLN A 46 3.309 -8.411 9.155 1.00 0.00 N ATOM 0 H GLN A 46 2.744 -5.734 13.862 1.00 0.00 H new ATOM 0 HA GLN A 46 0.253 -7.159 13.129 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.102 -8.223 13.041 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.651 -9.105 12.609 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.328 -7.878 10.629 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.321 -6.540 11.175 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.442 -8.155 8.683 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.081 -8.810 8.621 1.00 0.00 H new ATOM 674 N ASN A 47 0.666 -8.897 15.110 1.00 0.00 N ATOM 675 CA ASN A 47 0.578 -9.515 16.428 1.00 0.00 C ATOM 676 C ASN A 47 1.870 -10.253 16.770 1.00 0.00 C ATOM 677 O ASN A 47 2.742 -10.424 15.919 1.00 0.00 O ATOM 678 CB ASN A 47 -0.605 -10.484 16.482 1.00 0.00 C ATOM 679 CG ASN A 47 -1.941 -9.767 16.454 1.00 0.00 C ATOM 680 OD1 ASN A 47 -2.268 -9.004 17.364 1.00 0.00 O ATOM 681 ND2 ASN A 47 -2.720 -10.010 15.407 1.00 0.00 N ATOM 0 H ASN A 47 0.242 -9.442 14.360 1.00 0.00 H new ATOM 0 HA ASN A 47 0.426 -8.725 17.163 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.547 -11.171 15.638 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.537 -11.086 17.388 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.631 -9.557 15.333 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.408 -10.650 14.677 1.00 0.00 H new ATOM 688 N GLN A 48 1.983 -10.686 18.021 1.00 0.00 N ATOM 689 CA GLN A 48 3.168 -11.405 18.476 1.00 0.00 C ATOM 690 C GLN A 48 3.518 -12.539 17.517 1.00 0.00 C ATOM 691 O GLN A 48 4.690 -12.840 17.299 1.00 0.00 O ATOM 692 CB GLN A 48 2.944 -11.961 19.883 1.00 0.00 C ATOM 693 CG GLN A 48 3.086 -10.918 20.979 1.00 0.00 C ATOM 694 CD GLN A 48 4.531 -10.541 21.243 1.00 0.00 C ATOM 695 OE1 GLN A 48 5.051 -9.585 20.666 1.00 0.00 O ATOM 696 NE2 GLN A 48 5.188 -11.292 22.119 1.00 0.00 N ATOM 0 H GLN A 48 1.269 -10.552 18.737 1.00 0.00 H new ATOM 0 HA GLN A 48 4.002 -10.703 18.499 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.947 -12.399 19.937 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.656 -12.766 20.064 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.527 -10.025 20.700 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.640 -11.299 21.898 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.718 -12.075 22.574 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.163 -11.086 22.337 1.00 0.00 H new ATOM 705 N ASN A 49 2.492 -13.164 16.949 1.00 0.00 N ATOM 706 CA ASN A 49 2.691 -14.266 16.015 1.00 0.00 C ATOM 707 C ASN A 49 3.211 -13.755 14.674 1.00 0.00 C ATOM 708 O ASN A 49 4.354 -14.015 14.301 1.00 0.00 O ATOM 709 CB ASN A 49 1.382 -15.030 15.808 1.00 0.00 C ATOM 710 CG ASN A 49 1.610 -16.448 15.321 1.00 0.00 C ATOM 711 OD1 ASN A 49 2.670 -17.032 15.550 1.00 0.00 O ATOM 712 ND2 ASN A 49 0.615 -17.009 14.645 1.00 0.00 N ATOM 0 H ASN A 49 1.515 -12.926 17.119 1.00 0.00 H new ATOM 0 HA ASN A 49 3.434 -14.940 16.441 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.828 -15.056 16.746 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.763 -14.496 15.087 1.00 0.00 H new ATOM 0 HD21 ASN A 49 0.711 -17.961 14.292 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.246 -16.488 14.478 1.00 0.00 H new ATOM 719 N GLY A 50 2.363 -13.027 13.955 1.00 0.00 N ATOM 720 CA GLY A 50 2.755 -12.491 12.665 1.00 0.00 C ATOM 721 C GLY A 50 1.563 -12.130 11.800 1.00 0.00 C ATOM 722 O GLY A 50 1.615 -12.249 10.576 1.00 0.00 O ATOM 0 H GLY A 50 1.411 -12.799 14.243 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.372 -11.605 12.816 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.370 -13.223 12.143 1.00 0.00 H new ATOM 726 N LYS A 51 0.484 -11.689 12.438 1.00 0.00 N ATOM 727 CA LYS A 51 -0.728 -11.310 11.720 1.00 0.00 C ATOM 728 C LYS A 51 -1.006 -9.818 11.873 1.00 0.00 C ATOM 729 O LYS A 51 -1.157 -9.316 12.986 1.00 0.00 O ATOM 730 CB LYS A 51 -1.923 -12.118 12.233 1.00 0.00 C ATOM 731 CG LYS A 51 -1.901 -13.574 11.804 1.00 0.00 C ATOM 732 CD LYS A 51 -3.146 -14.311 12.269 1.00 0.00 C ATOM 733 CE LYS A 51 -3.023 -14.754 13.719 1.00 0.00 C ATOM 734 NZ LYS A 51 -2.407 -16.104 13.836 1.00 0.00 N ATOM 0 H LYS A 51 0.424 -11.585 13.451 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.578 -11.527 10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.944 -12.069 13.322 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.843 -11.656 11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.826 -13.633 10.718 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.015 -14.061 12.212 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.016 -13.664 12.158 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.313 -15.181 11.635 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.421 -14.031 14.270 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.010 -14.764 14.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.062 -16.245 14.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.117 -16.830 13.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.611 -16.181 13.171 1.00 0.00 H new ATOM 748 N SER A 52 -1.073 -9.115 10.747 1.00 0.00 N ATOM 749 CA SER A 52 -1.331 -7.680 10.755 1.00 0.00 C ATOM 750 C SER A 52 -2.597 -7.361 11.545 1.00 0.00 C ATOM 751 O SER A 52 -3.588 -8.087 11.473 1.00 0.00 O ATOM 752 CB SER A 52 -1.464 -7.156 9.324 1.00 0.00 C ATOM 753 OG SER A 52 -1.062 -5.799 9.239 1.00 0.00 O ATOM 0 H SER A 52 -0.952 -9.516 9.817 1.00 0.00 H new ATOM 0 HA SER A 52 -0.487 -7.187 11.238 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.855 -7.762 8.653 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.498 -7.254 8.992 1.00 0.00 H new ATOM 0 HG SER A 52 -1.812 -5.255 8.920 1.00 0.00 H new ATOM 759 N LYS A 53 -2.555 -6.268 12.300 1.00 0.00 N ATOM 760 CA LYS A 53 -3.698 -5.848 13.104 1.00 0.00 C ATOM 761 C LYS A 53 -4.893 -5.514 12.217 1.00 0.00 C ATOM 762 O LYS A 53 -6.038 -5.545 12.666 1.00 0.00 O ATOM 763 CB LYS A 53 -3.328 -4.634 13.958 1.00 0.00 C ATOM 764 CG LYS A 53 -2.113 -4.860 14.842 1.00 0.00 C ATOM 765 CD LYS A 53 -2.150 -3.974 16.076 1.00 0.00 C ATOM 766 CE LYS A 53 -1.437 -4.625 17.251 1.00 0.00 C ATOM 767 NZ LYS A 53 -1.997 -4.178 18.557 1.00 0.00 N ATOM 0 H LYS A 53 -1.742 -5.657 12.372 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.974 -6.675 13.759 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.137 -3.784 13.303 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.179 -4.368 14.585 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.072 -5.906 15.145 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.205 -4.657 14.274 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.682 -3.015 15.851 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.186 -3.768 16.346 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.521 -5.709 17.172 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.375 -4.384 17.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.484 -4.644 19.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.894 -3.147 18.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.005 -4.430 18.607 1.00 0.00 H new ATOM 781 N GLY A 54 -4.619 -5.197 10.955 1.00 0.00 N ATOM 782 CA GLY A 54 -5.683 -4.864 10.026 1.00 0.00 C ATOM 783 C GLY A 54 -5.504 -3.491 9.409 1.00 0.00 C ATOM 784 O GLY A 54 -6.351 -3.033 8.641 1.00 0.00 O ATOM 0 H GLY A 54 -3.679 -5.165 10.560 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.718 -5.613 9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.641 -4.904 10.545 1.00 0.00 H new ATOM 788 N TYR A 55 -4.401 -2.832 9.745 1.00 0.00 N ATOM 789 CA TYR A 55 -4.116 -1.501 9.222 1.00 0.00 C ATOM 790 C TYR A 55 -2.614 -1.293 9.052 1.00 0.00 C ATOM 791 O TYR A 55 -1.808 -2.100 9.514 1.00 0.00 O ATOM 792 CB TYR A 55 -4.689 -0.431 10.153 1.00 0.00 C ATOM 793 CG TYR A 55 -4.403 -0.685 11.616 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.178 -1.574 12.351 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.360 -0.036 12.264 1.00 0.00 C ATOM 796 CE1 TYR A 55 -4.922 -1.809 13.688 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.095 -0.266 13.600 1.00 0.00 C ATOM 798 CZ TYR A 55 -3.879 -1.153 14.307 1.00 0.00 C ATOM 799 OH TYR A 55 -3.619 -1.384 15.639 1.00 0.00 O ATOM 0 H TYR A 55 -3.689 -3.198 10.377 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.589 -1.413 8.244 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.278 0.539 9.874 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.768 -0.374 10.007 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.995 -2.090 11.868 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.745 0.661 11.714 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.535 -2.502 14.245 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.279 0.246 14.088 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.851 -0.844 15.921 1.00 0.00 H new ATOM 809 N ALA A 56 -2.247 -0.203 8.386 1.00 0.00 N ATOM 810 CA ALA A 56 -0.843 0.115 8.156 1.00 0.00 C ATOM 811 C ALA A 56 -0.633 1.620 8.037 1.00 0.00 C ATOM 812 O ALA A 56 -1.568 2.366 7.743 1.00 0.00 O ATOM 813 CB ALA A 56 -0.340 -0.591 6.906 1.00 0.00 C ATOM 0 H ALA A 56 -2.902 0.475 7.996 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.271 -0.238 9.014 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.710 -0.345 6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.445 -1.669 7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.924 -0.266 6.045 1.00 0.00 H new ATOM 819 N PHE A 57 0.599 2.061 8.267 1.00 0.00 N ATOM 820 CA PHE A 57 0.931 3.479 8.187 1.00 0.00 C ATOM 821 C PHE A 57 1.924 3.742 7.059 1.00 0.00 C ATOM 822 O PHE A 57 3.087 3.344 7.135 1.00 0.00 O ATOM 823 CB PHE A 57 1.512 3.964 9.516 1.00 0.00 C ATOM 824 CG PHE A 57 0.506 4.007 10.630 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.478 4.983 10.656 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.544 3.073 11.653 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.406 5.025 11.679 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.382 3.110 12.678 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.357 4.088 12.692 1.00 0.00 C ATOM 0 H PHE A 57 1.384 1.457 8.510 1.00 0.00 H new ATOM 0 HA PHE A 57 0.014 4.030 7.976 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.334 3.309 9.805 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.932 4.960 9.378 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.520 5.719 9.867 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.306 2.308 11.649 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.169 5.790 11.686 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.343 2.374 13.468 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.080 4.120 13.494 1.00 0.00 H new ATOM 839 N ILE A 58 1.457 4.415 6.012 1.00 0.00 N ATOM 840 CA ILE A 58 2.304 4.731 4.868 1.00 0.00 C ATOM 841 C ILE A 58 2.823 6.163 4.948 1.00 0.00 C ATOM 842 O ILE A 58 2.066 7.093 5.226 1.00 0.00 O ATOM 843 CB ILE A 58 1.548 4.545 3.540 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.617 3.333 3.623 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.530 4.387 2.389 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.339 2.035 3.908 1.00 0.00 C ATOM 0 H ILE A 58 0.497 4.752 5.932 1.00 0.00 H new ATOM 0 HA ILE A 58 3.146 4.039 4.897 1.00 0.00 H new ATOM 0 HB ILE A 58 0.943 5.433 3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.123 3.507 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.073 3.238 2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.980 4.256 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.156 5.277 2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.159 3.514 2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.617 1.219 3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.060 1.838 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.861 2.111 4.862 1.00 0.00 H new ATOM 858 N GLU A 59 4.118 6.332 4.701 1.00 0.00 N ATOM 859 CA GLU A 59 4.737 7.651 4.745 1.00 0.00 C ATOM 860 C GLU A 59 5.263 8.051 3.369 1.00 0.00 C ATOM 861 O GLU A 59 5.815 7.226 2.640 1.00 0.00 O ATOM 862 CB GLU A 59 5.878 7.670 5.764 1.00 0.00 C ATOM 863 CG GLU A 59 6.146 9.045 6.353 1.00 0.00 C ATOM 864 CD GLU A 59 7.469 9.117 7.090 1.00 0.00 C ATOM 865 OE1 GLU A 59 8.414 8.410 6.681 1.00 0.00 O ATOM 866 OE2 GLU A 59 7.560 9.880 8.074 1.00 0.00 O ATOM 0 H GLU A 59 4.758 5.573 4.469 1.00 0.00 H new ATOM 0 HA GLU A 59 3.977 8.371 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.643 6.977 6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.787 7.306 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.139 9.786 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.339 9.307 7.037 1.00 0.00 H new ATOM 873 N PHE A 60 5.088 9.321 3.021 1.00 0.00 N ATOM 874 CA PHE A 60 5.543 9.831 1.733 1.00 0.00 C ATOM 875 C PHE A 60 6.370 11.101 1.912 1.00 0.00 C ATOM 876 O PHE A 60 6.591 11.557 3.033 1.00 0.00 O ATOM 877 CB PHE A 60 4.347 10.112 0.821 1.00 0.00 C ATOM 878 CG PHE A 60 3.550 8.885 0.481 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.646 8.356 1.389 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.706 8.259 -0.745 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.912 7.227 1.079 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.973 7.130 -1.060 1.00 0.00 C ATOM 883 CZ PHE A 60 2.076 6.613 -0.146 1.00 0.00 C ATOM 0 H PHE A 60 4.634 10.016 3.613 1.00 0.00 H new ATOM 0 HA PHE A 60 6.173 9.071 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.693 10.837 1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.704 10.571 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.514 8.832 2.350 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.408 8.657 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.210 6.825 1.795 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.102 6.653 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.504 5.730 -0.389 1.00 0.00 H new ATOM 893 N ALA A 61 6.824 11.665 0.798 1.00 0.00 N ATOM 894 CA ALA A 61 7.625 12.882 0.830 1.00 0.00 C ATOM 895 C ALA A 61 6.772 14.092 1.195 1.00 0.00 C ATOM 896 O ALA A 61 7.270 15.070 1.753 1.00 0.00 O ATOM 897 CB ALA A 61 8.308 13.101 -0.512 1.00 0.00 C ATOM 0 H ALA A 61 6.651 11.298 -0.138 1.00 0.00 H new ATOM 0 HA ALA A 61 8.389 12.764 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.903 14.014 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.958 12.254 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.554 13.193 -1.293 1.00 0.00 H new ATOM 903 N SER A 62 5.483 14.019 0.876 1.00 0.00 N ATOM 904 CA SER A 62 4.561 15.111 1.166 1.00 0.00 C ATOM 905 C SER A 62 3.132 14.728 0.794 1.00 0.00 C ATOM 906 O SER A 62 2.873 13.611 0.346 1.00 0.00 O ATOM 907 CB SER A 62 4.977 16.373 0.409 1.00 0.00 C ATOM 908 OG SER A 62 5.890 17.146 1.169 1.00 0.00 O ATOM 0 H SER A 62 5.054 13.215 0.417 1.00 0.00 H new ATOM 0 HA SER A 62 4.598 15.310 2.237 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.433 16.097 -0.542 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.095 16.970 0.178 1.00 0.00 H new ATOM 0 HG SER A 62 6.453 16.551 1.708 1.00 0.00 H new ATOM 914 N PHE A 63 2.207 15.664 0.982 1.00 0.00 N ATOM 915 CA PHE A 63 0.803 15.426 0.667 1.00 0.00 C ATOM 916 C PHE A 63 0.615 15.179 -0.827 1.00 0.00 C ATOM 917 O PHE A 63 -0.477 14.836 -1.277 1.00 0.00 O ATOM 918 CB PHE A 63 -0.049 16.616 1.110 1.00 0.00 C ATOM 919 CG PHE A 63 -1.379 16.693 0.415 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.434 15.892 0.819 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.573 17.567 -0.642 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.658 15.961 0.181 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.794 17.640 -1.285 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.839 16.837 -0.872 1.00 0.00 C ATOM 0 H PHE A 63 2.405 16.594 1.351 1.00 0.00 H new ATOM 0 HA PHE A 63 0.481 14.536 1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.213 16.555 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.503 17.537 0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.299 15.206 1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.760 18.199 -0.968 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.473 15.330 0.505 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.931 18.324 -2.109 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.795 16.894 -1.371 1.00 0.00 H new ATOM 934 N GLU A 64 1.690 15.357 -1.590 1.00 0.00 N ATOM 935 CA GLU A 64 1.642 15.155 -3.033 1.00 0.00 C ATOM 936 C GLU A 64 1.700 13.670 -3.377 1.00 0.00 C ATOM 937 O GLU A 64 0.742 13.107 -3.908 1.00 0.00 O ATOM 938 CB GLU A 64 2.799 15.892 -3.712 1.00 0.00 C ATOM 939 CG GLU A 64 2.451 17.308 -4.141 1.00 0.00 C ATOM 940 CD GLU A 64 1.243 17.359 -5.057 1.00 0.00 C ATOM 941 OE1 GLU A 64 1.315 16.791 -6.166 1.00 0.00 O ATOM 942 OE2 GLU A 64 0.226 17.968 -4.663 1.00 0.00 O ATOM 0 H GLU A 64 2.603 15.640 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 64 0.698 15.559 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.647 15.927 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.117 15.324 -4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.258 17.915 -3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.307 17.750 -4.650 1.00 0.00 H new ATOM 949 N ASP A 65 2.830 13.041 -3.071 1.00 0.00 N ATOM 950 CA ASP A 65 3.013 11.621 -3.347 1.00 0.00 C ATOM 951 C ASP A 65 1.968 10.786 -2.614 1.00 0.00 C ATOM 952 O ASP A 65 1.483 9.783 -3.137 1.00 0.00 O ATOM 953 CB ASP A 65 4.418 11.178 -2.936 1.00 0.00 C ATOM 954 CG ASP A 65 5.473 11.585 -3.946 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.294 11.284 -5.145 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.476 12.205 -3.538 1.00 0.00 O ATOM 0 H ASP A 65 3.633 13.492 -2.632 1.00 0.00 H new ATOM 0 HA ASP A 65 2.890 11.465 -4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.663 11.610 -1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.433 10.095 -2.816 1.00 0.00 H new ATOM 961 N ALA A 66 1.626 11.206 -1.401 1.00 0.00 N ATOM 962 CA ALA A 66 0.638 10.498 -0.597 1.00 0.00 C ATOM 963 C ALA A 66 -0.708 10.436 -1.311 1.00 0.00 C ATOM 964 O ALA A 66 -1.284 9.361 -1.480 1.00 0.00 O ATOM 965 CB ALA A 66 0.486 11.165 0.762 1.00 0.00 C ATOM 0 H ALA A 66 2.019 12.034 -0.953 1.00 0.00 H new ATOM 0 HA ALA A 66 0.990 9.477 -0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.255 10.625 1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.443 11.152 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.161 12.197 0.627 1.00 0.00 H new ATOM 971 N LYS A 67 -1.205 11.595 -1.728 1.00 0.00 N ATOM 972 CA LYS A 67 -2.484 11.673 -2.425 1.00 0.00 C ATOM 973 C LYS A 67 -2.424 10.932 -3.757 1.00 0.00 C ATOM 974 O LYS A 67 -3.444 10.469 -4.265 1.00 0.00 O ATOM 975 CB LYS A 67 -2.872 13.135 -2.659 1.00 0.00 C ATOM 976 CG LYS A 67 -4.150 13.304 -3.461 1.00 0.00 C ATOM 977 CD LYS A 67 -5.376 12.940 -2.640 1.00 0.00 C ATOM 978 CE LYS A 67 -5.859 14.118 -1.808 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.738 15.028 -2.593 1.00 0.00 N ATOM 0 H LYS A 67 -0.742 12.494 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.240 11.198 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.990 13.630 -1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.057 13.640 -3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.233 14.336 -3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.108 12.676 -4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.175 12.610 -3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.140 12.102 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.402 13.750 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.000 14.676 -1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.046 15.818 -1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.212 15.400 -3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.571 14.503 -2.928 1.00 0.00 H new ATOM 993 N GLU A 68 -1.223 10.823 -4.315 1.00 0.00 N ATOM 994 CA GLU A 68 -1.031 10.137 -5.587 1.00 0.00 C ATOM 995 C GLU A 68 -1.304 8.642 -5.446 1.00 0.00 C ATOM 996 O GLU A 68 -1.966 8.039 -6.289 1.00 0.00 O ATOM 997 CB GLU A 68 0.391 10.361 -6.104 1.00 0.00 C ATOM 998 CG GLU A 68 0.783 9.423 -7.234 1.00 0.00 C ATOM 999 CD GLU A 68 0.049 9.728 -8.525 1.00 0.00 C ATOM 1000 OE1 GLU A 68 -1.173 9.480 -8.585 1.00 0.00 O ATOM 1001 OE2 GLU A 68 0.697 10.213 -9.476 1.00 0.00 O ATOM 0 H GLU A 68 -0.368 11.201 -3.906 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.739 10.552 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.485 11.391 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.092 10.236 -5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.857 9.495 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.576 8.395 -6.937 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.787 8.052 -4.373 1.00 0.00 N ATOM 1009 CA ALA A 69 -0.976 6.629 -4.120 1.00 0.00 C ATOM 1010 C ALA A 69 -2.291 6.370 -3.393 1.00 0.00 C ATOM 1011 O ALA A 69 -2.837 5.267 -3.451 1.00 0.00 O ATOM 1012 CB ALA A 69 0.192 6.077 -3.315 1.00 0.00 C ATOM 0 H ALA A 69 -0.235 8.537 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.016 6.116 -5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.038 5.013 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.118 6.220 -3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.258 6.602 -2.362 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.795 7.391 -2.709 1.00 0.00 N ATOM 1019 CA LEU A 70 -4.047 7.274 -1.970 1.00 0.00 C ATOM 1020 C LEU A 70 -5.245 7.384 -2.908 1.00 0.00 C ATOM 1021 O LEU A 70 -6.338 6.918 -2.591 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.128 8.355 -0.891 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.535 8.806 -0.497 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.227 7.734 0.330 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.479 10.120 0.268 1.00 0.00 C ATOM 0 H LEU A 70 -2.356 8.310 -2.651 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.070 6.293 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.623 7.987 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.572 9.227 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.114 8.963 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.227 8.073 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.300 6.816 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.650 7.544 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.489 10.426 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.883 9.990 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.024 10.887 -0.359 1.00 0.00 H new ATOM 1037 N ASN A 71 -5.030 8.002 -4.065 1.00 0.00 N ATOM 1038 CA ASN A 71 -6.092 8.172 -5.049 1.00 0.00 C ATOM 1039 C ASN A 71 -6.211 6.938 -5.939 1.00 0.00 C ATOM 1040 O ASN A 71 -7.294 6.614 -6.428 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.827 9.410 -5.908 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.390 10.674 -5.289 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.367 10.631 -4.541 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.775 11.810 -5.600 1.00 0.00 N ATOM 0 H ASN A 71 -4.130 8.393 -4.344 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.032 8.304 -4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.753 9.526 -6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.266 9.265 -6.895 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.109 12.693 -5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.968 11.799 -6.224 1.00 0.00 H new ATOM 1051 N SER A 72 -5.091 6.253 -6.144 1.00 0.00 N ATOM 1052 CA SER A 72 -5.068 5.056 -6.977 1.00 0.00 C ATOM 1053 C SER A 72 -5.209 3.798 -6.125 1.00 0.00 C ATOM 1054 O SER A 72 -6.215 3.092 -6.203 1.00 0.00 O ATOM 1055 CB SER A 72 -3.771 4.996 -7.786 1.00 0.00 C ATOM 1056 OG SER A 72 -3.928 4.195 -8.944 1.00 0.00 O ATOM 0 H SER A 72 -4.187 6.506 -5.745 1.00 0.00 H new ATOM 0 HA SER A 72 -5.913 5.105 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.472 6.004 -8.075 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.971 4.592 -7.166 1.00 0.00 H new ATOM 0 HG SER A 72 -3.086 4.174 -9.444 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.194 3.525 -5.314 1.00 0.00 N ATOM 1063 CA CYS A 73 -4.202 2.352 -4.447 1.00 0.00 C ATOM 1064 C CYS A 73 -5.544 2.211 -3.736 1.00 0.00 C ATOM 1065 O CYS A 73 -5.961 1.106 -3.390 1.00 0.00 O ATOM 1066 CB CYS A 73 -3.073 2.444 -3.419 1.00 0.00 C ATOM 1067 SG CYS A 73 -2.828 0.934 -2.455 1.00 0.00 S ATOM 0 H CYS A 73 -3.355 4.100 -5.238 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.046 1.470 -5.068 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.145 2.687 -3.936 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.283 3.268 -2.737 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.785 1.071 -1.691 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.215 3.338 -3.520 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.509 3.340 -2.848 1.00 0.00 C ATOM 1075 C ASN A 74 -8.299 2.078 -3.184 1.00 0.00 C ATOM 1076 O ASN A 74 -8.686 1.863 -4.332 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.312 4.579 -3.247 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.241 5.046 -2.142 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.434 5.251 -2.365 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.695 5.218 -0.944 1.00 0.00 N ATOM 0 H ASN A 74 -5.884 4.261 -3.801 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.332 3.361 -1.773 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.626 5.385 -3.506 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.896 4.358 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.270 5.532 -0.162 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.701 5.036 -0.806 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.534 1.247 -2.174 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.279 0.008 -2.360 1.00 0.00 C ATOM 1089 C LYS A 75 -8.532 -0.941 -3.293 1.00 0.00 C ATOM 1090 O LYS A 75 -9.124 -1.534 -4.194 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.670 0.304 -2.925 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.415 1.390 -2.167 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.549 1.970 -2.995 1.00 0.00 C ATOM 1094 CE LYS A 75 -13.033 3.295 -2.427 1.00 0.00 C ATOM 1095 NZ LYS A 75 -14.322 3.722 -3.037 1.00 0.00 N ATOM 0 H LYS A 75 -8.219 1.410 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.383 -0.473 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.573 0.602 -3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.262 -0.611 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.814 0.979 -1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.721 2.184 -1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.214 2.114 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.377 1.262 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.154 3.205 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.278 4.062 -2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.618 4.629 -2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.200 3.833 -4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.050 3.003 -2.850 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.229 -1.080 -3.068 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.402 -1.957 -3.888 1.00 0.00 C ATOM 1111 C ARG A 76 -6.530 -3.408 -3.432 1.00 0.00 C ATOM 1112 O ARG A 76 -6.195 -3.742 -2.296 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.938 -1.518 -3.826 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.980 -2.501 -4.479 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.756 -2.169 -5.946 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.447 -2.616 -6.415 1.00 0.00 N ATOM 1117 CZ ARG A 76 -2.128 -2.737 -7.699 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -3.019 -2.446 -8.637 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -0.916 -3.150 -8.046 1.00 0.00 N ATOM 0 H ARG A 76 -6.724 -0.597 -2.325 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.751 -1.886 -4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.837 -0.548 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.652 -1.383 -2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.026 -2.486 -3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.378 -3.512 -4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.536 -2.637 -6.547 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.845 -1.092 -6.092 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.739 -2.848 -5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.952 -2.128 -8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.772 -2.540 -9.622 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.229 -3.375 -7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.672 -3.243 -9.032 1.00 0.00 H new ATOM 1133 N GLU A 77 -7.016 -4.264 -4.325 1.00 0.00 N ATOM 1134 CA GLU A 77 -7.188 -5.677 -4.013 1.00 0.00 C ATOM 1135 C GLU A 77 -5.837 -6.370 -3.862 1.00 0.00 C ATOM 1136 O GLU A 77 -5.147 -6.628 -4.849 1.00 0.00 O ATOM 1137 CB GLU A 77 -8.009 -6.368 -5.104 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.509 -6.297 -4.874 1.00 0.00 C ATOM 1139 CD GLU A 77 -10.304 -6.482 -6.152 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -10.034 -5.755 -7.130 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -11.197 -7.356 -6.173 1.00 0.00 O ATOM 0 H GLU A 77 -7.297 -4.003 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.722 -5.750 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.776 -5.912 -6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.708 -7.414 -5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.799 -7.064 -4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.760 -5.333 -4.431 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.466 -6.668 -2.621 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.199 -7.331 -2.341 1.00 0.00 C ATOM 1150 C ILE A 78 -4.416 -8.635 -1.583 1.00 0.00 C ATOM 1151 O ILE A 78 -5.134 -8.671 -0.584 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.258 -6.425 -1.524 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -2.863 -5.194 -2.342 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -2.022 -7.199 -1.091 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -1.869 -4.296 -1.639 1.00 0.00 C ATOM 0 H ILE A 78 -6.025 -6.461 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.737 -7.547 -3.304 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.785 -6.090 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.438 -5.520 -3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.759 -4.619 -2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.367 -6.546 -0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.321 -8.047 -0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.491 -7.559 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.634 -3.444 -2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.299 -3.941 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.957 -4.855 -1.431 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.789 -9.705 -2.063 1.00 0.00 N ATOM 1168 CA GLU A 79 -3.914 -11.012 -1.428 1.00 0.00 C ATOM 1169 C GLU A 79 -5.379 -11.424 -1.315 1.00 0.00 C ATOM 1170 O GLU A 79 -5.759 -12.162 -0.408 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.269 -10.993 -0.041 1.00 0.00 C ATOM 1172 CG GLU A 79 -1.756 -10.859 -0.074 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.059 -12.185 -0.312 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -1.290 -13.127 0.474 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.281 -12.279 -1.285 1.00 0.00 O ATOM 0 H GLU A 79 -3.190 -9.692 -2.889 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.397 -11.742 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.686 -10.165 0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.532 -11.910 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.474 -10.158 -0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.412 -10.436 0.870 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.197 -10.940 -2.245 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.611 -11.268 -2.232 1.00 0.00 C ATOM 1184 C GLY A 80 -8.389 -10.440 -1.228 1.00 0.00 C ATOM 1185 O GLY A 80 -9.478 -10.828 -0.805 1.00 0.00 O ATOM 0 H GLY A 80 -5.906 -10.327 -3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.026 -11.111 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.733 -12.326 -1.999 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.828 -9.298 -0.844 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.475 -8.415 0.119 1.00 0.00 C ATOM 1191 C ARG A 81 -8.295 -6.953 -0.277 1.00 0.00 C ATOM 1192 O ARG A 81 -7.172 -6.476 -0.437 1.00 0.00 O ATOM 1193 CB ARG A 81 -7.906 -8.648 1.520 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.480 -9.872 2.215 1.00 0.00 C ATOM 1195 CD ARG A 81 -8.378 -9.753 3.727 1.00 0.00 C ATOM 1196 NE ARG A 81 -8.896 -10.939 4.406 1.00 0.00 N ATOM 1197 CZ ARG A 81 -10.189 -11.229 4.492 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -11.090 -10.425 3.946 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -10.582 -12.327 5.126 1.00 0.00 N ATOM 0 H ARG A 81 -6.927 -8.963 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.541 -8.644 0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.823 -8.755 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.101 -7.768 2.133 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.524 -9.998 1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.948 -10.763 1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.336 -9.600 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.931 -8.874 4.060 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.228 -11.578 4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.791 -9.581 3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.082 -10.651 4.014 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.891 -12.948 5.547 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.575 -12.550 5.192 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.410 -6.246 -0.435 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.375 -4.838 -0.811 1.00 0.00 C ATOM 1215 C ALA A 82 -8.766 -3.988 0.298 1.00 0.00 C ATOM 1216 O ALA A 82 -9.149 -4.105 1.463 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.776 -4.347 -1.147 1.00 0.00 C ATOM 0 H ALA A 82 -10.348 -6.626 -0.308 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.745 -4.739 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.735 -3.294 -1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.175 -4.928 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.422 -4.467 -0.277 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.817 -3.135 -0.070 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.156 -2.265 0.895 1.00 0.00 C ATOM 1225 C ILE A 83 -7.541 -0.806 0.675 1.00 0.00 C ATOM 1226 O ILE A 83 -7.413 -0.280 -0.431 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.624 -2.398 0.816 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.099 -1.739 -0.462 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.215 -3.863 0.869 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.788 -0.268 -0.299 1.00 0.00 C ATOM 0 H ILE A 83 -7.488 -3.027 -1.030 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.489 -2.580 1.884 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.185 -1.888 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.197 -2.259 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.838 -1.860 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.129 -3.940 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.562 -4.304 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.661 -4.396 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.421 0.133 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.693 0.265 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.026 -0.140 0.470 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.011 -0.157 1.735 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.414 1.242 1.657 1.00 0.00 C ATOM 1244 C ARG A 84 -7.402 2.139 2.364 1.00 0.00 C ATOM 1245 O ARG A 84 -6.795 1.743 3.360 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.800 1.431 2.277 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.498 2.705 1.832 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.876 2.835 2.461 1.00 0.00 C ATOM 1249 NE ARG A 84 -12.349 4.216 2.462 1.00 0.00 N ATOM 1250 CZ ARG A 84 -13.250 4.683 3.320 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -13.772 3.884 4.240 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -13.631 5.953 3.258 1.00 0.00 N ATOM 0 H ARG A 84 -8.122 -0.577 2.658 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.453 1.525 0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.424 0.576 2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.705 1.439 3.363 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.890 3.568 2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.591 2.710 0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.584 2.210 1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.844 2.462 3.485 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.967 4.857 1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.482 2.907 4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.463 4.246 4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.232 6.571 2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.323 6.311 3.917 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.226 3.348 1.843 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.287 4.302 2.424 1.00 0.00 C ATOM 1268 C LEU A 85 -7.000 5.586 2.835 1.00 0.00 C ATOM 1269 O LEU A 85 -7.918 6.043 2.154 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.172 4.622 1.427 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.338 3.433 0.948 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -3.769 3.702 -0.436 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.221 3.132 1.937 1.00 0.00 C ATOM 0 H LEU A 85 -7.721 3.691 1.020 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.851 3.849 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.618 5.102 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.501 5.350 1.884 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.988 2.560 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.179 2.845 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.585 3.867 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.134 4.588 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.638 2.283 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.573 4.004 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.651 2.893 2.910 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.571 6.163 3.953 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.168 7.396 4.454 1.00 0.00 C ATOM 1287 C GLU A 86 -6.119 8.275 5.128 1.00 0.00 C ATOM 1288 O GLU A 86 -5.328 7.801 5.945 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.294 7.079 5.441 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.660 6.957 4.787 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.787 6.884 5.799 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.728 7.623 6.805 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.726 6.090 5.587 1.00 0.00 O ATOM 0 H GLU A 86 -5.813 5.797 4.529 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.581 7.940 3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.063 6.147 5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.332 7.861 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.822 7.811 4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.681 6.065 4.161 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.117 9.556 4.779 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.164 10.503 5.349 1.00 0.00 C ATOM 1302 C LEU A 87 -5.323 10.590 6.864 1.00 0.00 C ATOM 1303 O LEU A 87 -6.433 10.746 7.372 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.354 11.886 4.725 1.00 0.00 C ATOM 1305 CG LEU A 87 -5.075 11.990 3.225 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.376 13.393 2.721 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.632 11.611 2.923 1.00 0.00 C ATOM 0 H LEU A 87 -6.764 9.964 4.104 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.158 10.146 5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.380 12.207 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.704 12.589 5.245 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.730 11.291 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.171 13.447 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.425 13.627 2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.748 14.111 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.452 11.691 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.960 12.284 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.450 10.586 3.246 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.206 10.490 7.577 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.222 10.559 9.034 1.00 0.00 C ATOM 1321 C GLN A 88 -4.264 12.008 9.510 1.00 0.00 C ATOM 1322 O GLN A 88 -3.420 12.820 9.134 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.994 9.855 9.613 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.229 9.256 10.990 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.944 9.070 11.772 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.757 9.669 12.832 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -1.049 8.238 11.253 1.00 0.00 N ATOM 0 H GLN A 88 -3.279 10.361 7.170 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.121 10.054 9.386 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.683 9.064 8.930 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.171 10.567 9.671 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.902 9.902 11.553 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.727 8.293 10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.245 7.763 10.372 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.165 8.074 11.735 1.00 0.00 H new ATOM 1336 N GLY A 89 -5.253 12.325 10.340 1.00 0.00 N ATOM 1337 CA GLY A 89 -5.387 13.676 10.853 1.00 0.00 C ATOM 1338 C GLY A 89 -4.088 14.210 11.424 1.00 0.00 C ATOM 1339 O GLY A 89 -3.149 13.461 11.693 1.00 0.00 O ATOM 0 H GLY A 89 -5.964 11.670 10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.726 14.334 10.052 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.155 13.693 11.626 1.00 0.00 H new ATOM 1343 N PRO A 90 -4.022 15.536 11.615 1.00 0.00 N ATOM 1344 CA PRO A 90 -2.834 16.199 12.158 1.00 0.00 C ATOM 1345 C PRO A 90 -2.613 15.878 13.632 1.00 0.00 C ATOM 1346 O PRO A 90 -3.547 15.508 14.343 1.00 0.00 O ATOM 1347 CB PRO A 90 -3.144 17.687 11.976 1.00 0.00 C ATOM 1348 CG PRO A 90 -4.631 17.765 11.957 1.00 0.00 C ATOM 1349 CD PRO A 90 -5.104 16.490 11.315 1.00 0.00 C ATOM 0 HA PRO A 90 -1.922 15.875 11.657 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.727 18.281 12.790 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.716 18.070 11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.030 17.865 12.967 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.969 18.635 11.393 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.057 16.161 11.730 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.248 16.610 10.241 1.00 0.00 H new ATOM 1357 N ARG A 91 -1.371 16.021 14.085 1.00 0.00 N ATOM 1358 CA ARG A 91 -1.028 15.745 15.474 1.00 0.00 C ATOM 1359 C ARG A 91 -1.716 16.734 16.411 1.00 0.00 C ATOM 1360 O ARG A 91 -1.799 17.926 16.119 1.00 0.00 O ATOM 1361 CB ARG A 91 0.487 15.809 15.670 1.00 0.00 C ATOM 1362 CG ARG A 91 1.230 14.625 15.073 1.00 0.00 C ATOM 1363 CD ARG A 91 1.371 13.492 16.077 1.00 0.00 C ATOM 1364 NE ARG A 91 2.514 12.633 15.777 1.00 0.00 N ATOM 1365 CZ ARG A 91 2.806 11.533 16.461 1.00 0.00 C ATOM 1366 NH1 ARG A 91 2.044 11.159 17.479 1.00 0.00 N ATOM 1367 NH2 ARG A 91 3.863 10.804 16.127 1.00 0.00 N ATOM 0 H ARG A 91 -0.586 16.326 13.510 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.376 14.741 15.715 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.864 16.728 15.221 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.705 15.863 16.737 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.698 14.267 14.191 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.218 14.944 14.741 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.483 13.907 17.079 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.459 12.894 16.080 1.00 0.00 H new ATOM 0 HE ARG A 91 3.121 12.892 14.999 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.231 11.717 17.739 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.271 10.313 18.002 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.452 11.088 15.344 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.087 9.959 16.653 1.00 0.00 H new ATOM 1381 N GLY A 92 -2.207 16.230 17.539 1.00 0.00 N ATOM 1382 CA GLY A 92 -2.882 17.082 18.501 1.00 0.00 C ATOM 1383 C GLY A 92 -2.915 16.476 19.889 1.00 0.00 C ATOM 1384 O GLY A 92 -3.948 15.968 20.328 1.00 0.00 O ATOM 0 H GLY A 92 -2.149 15.247 17.804 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.379 18.048 18.542 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.902 17.267 18.165 1.00 0.00 H new ATOM 1388 N SER A 93 -1.783 16.526 20.583 1.00 0.00 N ATOM 1389 CA SER A 93 -1.685 15.972 21.928 1.00 0.00 C ATOM 1390 C SER A 93 -2.254 16.943 22.958 1.00 0.00 C ATOM 1391 O SER A 93 -2.108 18.161 22.848 1.00 0.00 O ATOM 1392 CB SER A 93 -0.228 15.650 22.265 1.00 0.00 C ATOM 1393 OG SER A 93 0.349 14.808 21.282 1.00 0.00 O ATOM 0 H SER A 93 -0.920 16.945 20.236 1.00 0.00 H new ATOM 0 HA SER A 93 -2.269 15.052 21.959 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.345 16.575 22.338 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.176 15.165 23.240 1.00 0.00 H new ATOM 0 HG SER A 93 1.281 14.618 21.520 1.00 0.00 H new ATOM 1399 N PRO A 94 -2.919 16.393 23.985 1.00 0.00 N ATOM 1400 CA PRO A 94 -3.523 17.192 25.056 1.00 0.00 C ATOM 1401 C PRO A 94 -2.477 17.843 25.954 1.00 0.00 C ATOM 1402 O PRO A 94 -1.283 17.581 25.822 1.00 0.00 O ATOM 1403 CB PRO A 94 -4.342 16.166 25.844 1.00 0.00 C ATOM 1404 CG PRO A 94 -3.670 14.863 25.582 1.00 0.00 C ATOM 1405 CD PRO A 94 -3.131 14.949 24.181 1.00 0.00 C ATOM 0 HA PRO A 94 -4.114 18.019 24.664 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -4.351 16.400 26.909 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.380 16.150 25.513 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.868 14.687 26.299 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.372 14.035 25.680 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.203 14.388 24.073 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.835 14.544 23.454 1.00 0.00 H new ATOM 1413 N ASN A 95 -2.935 18.692 26.868 1.00 0.00 N ATOM 1414 CA ASN A 95 -2.038 19.381 27.789 1.00 0.00 C ATOM 1415 C ASN A 95 -2.227 18.872 29.215 1.00 0.00 C ATOM 1416 O ASN A 95 -3.076 19.368 29.955 1.00 0.00 O ATOM 1417 CB ASN A 95 -2.282 20.891 27.738 1.00 0.00 C ATOM 1418 CG ASN A 95 -1.828 21.593 29.003 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -2.621 21.828 29.915 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -0.545 21.932 29.063 1.00 0.00 N ATOM 0 H ASN A 95 -3.922 18.919 26.991 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.013 19.175 27.481 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.755 21.313 26.882 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -3.344 21.080 27.582 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.181 22.407 29.889 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.076 21.717 28.283 1.00 0.00 H new ATOM 1427 N SER A 96 -1.428 17.879 29.594 1.00 0.00 N ATOM 1428 CA SER A 96 -1.508 17.301 30.930 1.00 0.00 C ATOM 1429 C SER A 96 -0.365 17.801 31.808 1.00 0.00 C ATOM 1430 O SER A 96 0.671 18.237 31.309 1.00 0.00 O ATOM 1431 CB SER A 96 -1.475 15.773 30.850 1.00 0.00 C ATOM 1432 OG SER A 96 -0.166 15.306 30.574 1.00 0.00 O ATOM 0 H SER A 96 -0.718 17.458 28.994 1.00 0.00 H new ATOM 0 HA SER A 96 -2.451 17.614 31.379 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.825 15.349 31.791 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.158 15.431 30.072 1.00 0.00 H new ATOM 0 HG SER A 96 -0.171 14.327 30.530 1.00 0.00 H new ATOM 1438 N GLY A 97 -0.563 17.733 33.121 1.00 0.00 N ATOM 1439 CA GLY A 97 0.458 18.182 34.049 1.00 0.00 C ATOM 1440 C GLY A 97 0.282 17.593 35.435 1.00 0.00 C ATOM 1441 O GLY A 97 -0.815 17.582 35.993 1.00 0.00 O ATOM 0 H GLY A 97 -1.412 17.375 33.558 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.440 17.909 33.664 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.432 19.270 34.114 1.00 0.00 H new ATOM 1445 N PRO A 98 1.383 17.086 36.011 1.00 0.00 N ATOM 1446 CA PRO A 98 1.370 16.482 37.346 1.00 0.00 C ATOM 1447 C PRO A 98 1.149 17.514 38.447 1.00 0.00 C ATOM 1448 O PRO A 98 1.202 18.719 38.202 1.00 0.00 O ATOM 1449 CB PRO A 98 2.764 15.861 37.467 1.00 0.00 C ATOM 1450 CG PRO A 98 3.616 16.659 36.543 1.00 0.00 C ATOM 1451 CD PRO A 98 2.724 17.065 35.403 1.00 0.00 C ATOM 0 HA PRO A 98 0.557 15.765 37.462 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.133 15.914 38.491 1.00 0.00 H new ATOM 0 HB3 PRO A 98 2.754 14.808 37.186 1.00 0.00 H new ATOM 0 HG2 PRO A 98 4.026 17.534 37.048 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.462 16.071 36.186 1.00 0.00 H new ATOM 0 HD2 PRO A 98 3.000 18.041 35.005 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.780 16.356 34.577 1.00 0.00 H new ATOM 1459 N SER A 99 0.902 17.033 39.662 1.00 0.00 N ATOM 1460 CA SER A 99 0.670 17.914 40.800 1.00 0.00 C ATOM 1461 C SER A 99 1.544 17.513 41.984 1.00 0.00 C ATOM 1462 O SER A 99 2.142 16.437 41.993 1.00 0.00 O ATOM 1463 CB SER A 99 -0.805 17.881 41.206 1.00 0.00 C ATOM 1464 OG SER A 99 -1.616 18.517 40.233 1.00 0.00 O ATOM 0 H SER A 99 0.858 16.038 39.883 1.00 0.00 H new ATOM 0 HA SER A 99 0.935 18.929 40.502 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.127 16.848 41.334 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.932 18.376 42.169 1.00 0.00 H new ATOM 0 HG SER A 99 -2.554 18.481 40.515 1.00 0.00 H new ATOM 1470 N SER A 100 1.614 18.388 42.983 1.00 0.00 N ATOM 1471 CA SER A 100 2.418 18.128 44.172 1.00 0.00 C ATOM 1472 C SER A 100 1.554 17.576 45.302 1.00 0.00 C ATOM 1473 O SER A 100 0.327 17.558 45.208 1.00 0.00 O ATOM 1474 CB SER A 100 3.119 19.409 44.629 1.00 0.00 C ATOM 1475 OG SER A 100 3.869 19.984 43.574 1.00 0.00 O ATOM 0 H SER A 100 1.124 19.283 42.993 1.00 0.00 H new ATOM 0 HA SER A 100 3.170 17.382 43.916 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.379 20.125 44.985 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.778 19.187 45.469 1.00 0.00 H new ATOM 0 HG SER A 100 4.306 20.802 43.891 1.00 0.00 H new ATOM 1481 N GLY A 101 2.205 17.127 46.370 1.00 0.00 N ATOM 1482 CA GLY A 101 1.482 16.580 47.504 1.00 0.00 C ATOM 1483 C GLY A 101 2.229 16.760 48.810 1.00 0.00 C ATOM 1484 O GLY A 101 3.323 16.223 48.986 1.00 0.00 O ATOM 0 H GLY A 101 3.220 17.132 46.471 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.508 17.063 47.577 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.300 15.518 47.337 1.00 0.00 H new TER 1488 GLY A 101