USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 883 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 43 THR OG1 : rot 180:sc= 1.01 USER MOD Set 1.2: A 46 THR OG1 : rot 115:sc= 1.02 USER MOD Set 2.1: A 23 GLN :FLIP amide:sc= -0.675 F(o=-2.1!,f=-0.94) USER MOD Set 2.2: A 29 GLN :FLIP amide:sc= -0.269 F(o=-2.6,f=-0.94) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.119 (180deg=-0.026) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00293 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.0218 F(o=-1.4!,f=-0.022) USER MOD Single : A 18 MET CE :methyl 139:sc= -0.204 (180deg=-2.52!) USER MOD Single : A 22 SER OG : rot 74:sc= 1.24 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 34:sc= 0.902 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 34 CYS SG : rot 78:sc= 1.25 USER MOD Single : A 35 SER OG : rot -88:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 2:sc= 0.168 USER MOD Single : A 53 GLN : amide:sc= -0.175 K(o=-0.18,f=-0.72) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -30:sc= 0.789 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -2.7! C(o=-2.7!,f=-6.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.684 K(o=0.68,f=-0.26) USER MOD Single : A 86 SER OG : rot -140:sc= 0.092 USER MOD Single : A 87 ASN : amide:sc= -0.645 X(o=-0.65,f=-1.1) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0984 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.103) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.915 -25.251 18.809 1.00 0.00 N ATOM 2 CA MET A 1 16.141 -24.475 19.104 1.00 0.00 C ATOM 3 C MET A 1 16.309 -23.345 18.094 1.00 0.00 C ATOM 4 O MET A 1 15.406 -23.087 17.299 1.00 0.00 O ATOM 5 CB MET A 1 17.366 -25.390 19.091 1.00 0.00 C ATOM 6 CG MET A 1 17.424 -26.337 20.280 1.00 0.00 C ATOM 7 SD MET A 1 18.893 -27.382 20.271 1.00 0.00 S ATOM 8 CE MET A 1 18.703 -28.232 21.837 1.00 0.00 C ATOM 0 H1 MET A 1 14.334 -25.323 19.669 1.00 0.00 H new ATOM 0 H2 MET A 1 14.372 -24.771 18.063 1.00 0.00 H new ATOM 0 H3 MET A 1 15.177 -26.205 18.488 1.00 0.00 H new ATOM 0 HA MET A 1 16.046 -24.039 20.098 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.365 -25.974 18.170 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.268 -24.778 19.079 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.403 -25.756 21.202 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.535 -26.968 20.280 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.537 -28.919 21.981 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.689 -27.503 22.647 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.768 -28.792 21.836 1.00 0.00 H new ATOM 20 N THR A 2 17.462 -22.678 18.129 1.00 0.00 N ATOM 21 CA THR A 2 17.714 -21.527 17.271 1.00 0.00 C ATOM 22 C THR A 2 17.660 -21.904 15.788 1.00 0.00 C ATOM 23 O THR A 2 18.477 -22.687 15.295 1.00 0.00 O ATOM 24 CB THR A 2 19.081 -20.881 17.592 1.00 0.00 C ATOM 25 OG1 THR A 2 19.146 -20.536 18.985 1.00 0.00 O ATOM 26 CG2 THR A 2 19.303 -19.631 16.750 1.00 0.00 C ATOM 0 H THR A 2 18.238 -22.918 18.746 1.00 0.00 H new ATOM 0 HA THR A 2 16.923 -20.804 17.472 1.00 0.00 H new ATOM 0 HB THR A 2 19.862 -21.604 17.356 1.00 0.00 H new ATOM 0 HG1 THR A 2 20.016 -20.129 19.181 1.00 0.00 H new ATOM 0 HG21 THR A 2 20.272 -19.195 16.994 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.281 -19.896 15.693 1.00 0.00 H new ATOM 0 HG23 THR A 2 18.516 -18.907 16.959 1.00 0.00 H new ATOM 34 N LYS A 3 16.673 -21.351 15.094 1.00 0.00 N ATOM 35 CA LYS A 3 16.515 -21.553 13.660 1.00 0.00 C ATOM 36 C LYS A 3 16.687 -20.217 12.946 1.00 0.00 C ATOM 37 O LYS A 3 17.250 -19.276 13.507 1.00 0.00 O ATOM 38 CB LYS A 3 15.129 -22.125 13.348 1.00 0.00 C ATOM 39 CG LYS A 3 14.795 -23.394 14.113 1.00 0.00 C ATOM 40 CD LYS A 3 13.393 -23.885 13.797 1.00 0.00 C ATOM 41 CE LYS A 3 12.988 -25.033 14.706 1.00 0.00 C ATOM 42 NZ LYS A 3 11.649 -25.570 14.360 1.00 0.00 N ATOM 0 H LYS A 3 15.961 -20.751 15.509 1.00 0.00 H new ATOM 0 HA LYS A 3 17.269 -22.261 13.315 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.377 -21.369 13.573 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.065 -22.330 12.279 1.00 0.00 H new ATOM 0 HG2 LYS A 3 15.518 -24.171 13.864 1.00 0.00 H new ATOM 0 HG3 LYS A 3 14.883 -23.208 15.183 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.685 -23.064 13.908 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.345 -24.208 12.757 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.728 -25.830 14.635 1.00 0.00 H new ATOM 0 HE3 LYS A 3 12.985 -24.692 15.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.411 -26.351 15.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.938 -24.816 14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.658 -25.919 13.380 1.00 0.00 H new ATOM 56 N ASN A 4 16.204 -20.124 11.717 1.00 0.00 N ATOM 57 CA ASN A 4 16.198 -18.852 11.013 1.00 0.00 C ATOM 58 C ASN A 4 14.846 -18.187 11.214 1.00 0.00 C ATOM 59 O ASN A 4 14.068 -18.021 10.271 1.00 0.00 O ATOM 60 CB ASN A 4 16.495 -19.035 9.520 1.00 0.00 C ATOM 61 CG ASN A 4 17.801 -19.763 9.275 1.00 0.00 C ATOM 62 OD1 ASN A 4 18.868 -19.153 9.234 1.00 0.00 O ATOM 63 ND2 ASN A 4 17.724 -21.072 9.096 1.00 0.00 N ATOM 0 H ASN A 4 15.815 -20.906 11.191 1.00 0.00 H new ATOM 0 HA ASN A 4 16.986 -18.218 11.420 1.00 0.00 H new ATOM 0 HB2 ASN A 4 15.680 -19.591 9.056 1.00 0.00 H new ATOM 0 HB3 ASN A 4 16.531 -18.058 9.037 1.00 0.00 H new ATOM 0 HD21 ASN A 4 18.570 -21.613 8.916 1.00 0.00 H new ATOM 0 HD22 ASN A 4 16.819 -21.540 9.138 1.00 0.00 H new ATOM 70 N THR A 5 14.564 -17.854 12.467 1.00 0.00 N ATOM 71 CA THR A 5 13.288 -17.278 12.855 1.00 0.00 C ATOM 72 C THR A 5 13.096 -15.900 12.229 1.00 0.00 C ATOM 73 O THR A 5 14.026 -15.092 12.188 1.00 0.00 O ATOM 74 CB THR A 5 13.194 -17.167 14.390 1.00 0.00 C ATOM 75 OG1 THR A 5 13.550 -18.425 14.988 1.00 0.00 O ATOM 76 CG2 THR A 5 11.789 -16.772 14.828 1.00 0.00 C ATOM 0 H THR A 5 15.216 -17.977 13.242 1.00 0.00 H new ATOM 0 HA THR A 5 12.500 -17.938 12.492 1.00 0.00 H new ATOM 0 HB THR A 5 13.886 -16.392 14.719 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.491 -18.352 15.963 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.753 -16.702 15.915 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.530 -15.807 14.393 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.077 -17.525 14.490 1.00 0.00 H new ATOM 84 N ARG A 6 11.892 -15.646 11.735 1.00 0.00 N ATOM 85 CA ARG A 6 11.577 -14.372 11.110 1.00 0.00 C ATOM 86 C ARG A 6 11.538 -13.258 12.150 1.00 0.00 C ATOM 87 O ARG A 6 10.915 -13.392 13.206 1.00 0.00 O ATOM 88 CB ARG A 6 10.241 -14.451 10.363 1.00 0.00 C ATOM 89 CG ARG A 6 9.065 -14.860 11.235 1.00 0.00 C ATOM 90 CD ARG A 6 7.775 -14.941 10.435 1.00 0.00 C ATOM 91 NE ARG A 6 7.892 -15.840 9.285 1.00 0.00 N ATOM 92 CZ ARG A 6 7.500 -17.114 9.289 1.00 0.00 C ATOM 93 NH1 ARG A 6 7.029 -17.664 10.403 1.00 0.00 N ATOM 94 NH2 ARG A 6 7.586 -17.836 8.179 1.00 0.00 N ATOM 0 H ARG A 6 11.117 -16.308 11.756 1.00 0.00 H new ATOM 0 HA ARG A 6 12.362 -14.144 10.389 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.028 -13.479 9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.337 -15.163 9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.271 -15.827 11.693 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.946 -14.142 12.046 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.969 -15.286 11.083 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.501 -13.944 10.088 1.00 0.00 H new ATOM 0 HE ARG A 6 8.299 -15.468 8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.967 -17.111 11.258 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.730 -18.639 10.403 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.952 -17.416 7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.286 -18.811 8.180 1.00 0.00 H new ATOM 108 N PHE A 7 12.222 -12.170 11.851 1.00 0.00 N ATOM 109 CA PHE A 7 12.240 -11.016 12.729 1.00 0.00 C ATOM 110 C PHE A 7 11.237 -9.984 12.240 1.00 0.00 C ATOM 111 O PHE A 7 11.153 -9.718 11.039 1.00 0.00 O ATOM 112 CB PHE A 7 13.640 -10.395 12.777 1.00 0.00 C ATOM 113 CG PHE A 7 14.713 -11.338 13.248 1.00 0.00 C ATOM 114 CD1 PHE A 7 14.898 -11.583 14.600 1.00 0.00 C ATOM 115 CD2 PHE A 7 15.535 -11.979 12.338 1.00 0.00 C ATOM 116 CE1 PHE A 7 15.884 -12.449 15.033 1.00 0.00 C ATOM 117 CE2 PHE A 7 16.524 -12.847 12.765 1.00 0.00 C ATOM 118 CZ PHE A 7 16.698 -13.084 14.115 1.00 0.00 C ATOM 0 H PHE A 7 12.776 -12.061 11.001 1.00 0.00 H new ATOM 0 HA PHE A 7 11.969 -11.340 13.734 1.00 0.00 H new ATOM 0 HB2 PHE A 7 13.900 -10.033 11.782 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.619 -9.527 13.436 1.00 0.00 H new ATOM 0 HD1 PHE A 7 14.264 -11.091 15.323 1.00 0.00 H new ATOM 0 HD2 PHE A 7 15.403 -11.799 11.281 1.00 0.00 H new ATOM 0 HE1 PHE A 7 16.018 -12.629 16.089 1.00 0.00 H new ATOM 0 HE2 PHE A 7 17.160 -13.339 12.044 1.00 0.00 H new ATOM 0 HZ PHE A 7 17.467 -13.763 14.451 1.00 0.00 H new ATOM 128 N SER A 8 10.471 -9.419 13.164 1.00 0.00 N ATOM 129 CA SER A 8 9.502 -8.389 12.831 1.00 0.00 C ATOM 130 C SER A 8 10.191 -7.223 12.118 1.00 0.00 C ATOM 131 O SER A 8 11.257 -6.771 12.545 1.00 0.00 O ATOM 132 CB SER A 8 8.812 -7.902 14.105 1.00 0.00 C ATOM 133 OG SER A 8 8.346 -8.999 14.875 1.00 0.00 O ATOM 0 H SER A 8 10.504 -9.660 14.155 1.00 0.00 H new ATOM 0 HA SER A 8 8.753 -8.807 12.159 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.508 -7.306 14.696 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.976 -7.252 13.846 1.00 0.00 H new ATOM 0 HG SER A 8 7.909 -8.667 15.687 1.00 0.00 H new ATOM 139 N PRO A 9 9.595 -6.730 11.018 1.00 0.00 N ATOM 140 CA PRO A 9 10.175 -5.652 10.202 1.00 0.00 C ATOM 141 C PRO A 9 10.511 -4.416 11.026 1.00 0.00 C ATOM 142 O PRO A 9 11.501 -3.734 10.767 1.00 0.00 O ATOM 143 CB PRO A 9 9.079 -5.330 9.175 1.00 0.00 C ATOM 144 CG PRO A 9 7.845 -6.001 9.681 1.00 0.00 C ATOM 145 CD PRO A 9 8.311 -7.188 10.470 1.00 0.00 C ATOM 0 HA PRO A 9 11.117 -5.958 9.748 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.931 -4.254 9.084 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.348 -5.699 8.185 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.261 -5.324 10.304 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.203 -6.309 8.856 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.606 -7.452 11.258 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.431 -8.070 9.841 1.00 0.00 H new ATOM 153 N GLU A 10 9.688 -4.143 12.029 1.00 0.00 N ATOM 154 CA GLU A 10 9.905 -3.013 12.921 1.00 0.00 C ATOM 155 C GLU A 10 11.183 -3.196 13.729 1.00 0.00 C ATOM 156 O GLU A 10 11.940 -2.249 13.915 1.00 0.00 O ATOM 157 CB GLU A 10 8.718 -2.856 13.861 1.00 0.00 C ATOM 158 CG GLU A 10 7.401 -2.687 13.136 1.00 0.00 C ATOM 159 CD GLU A 10 6.223 -2.797 14.071 1.00 0.00 C ATOM 160 OE1 GLU A 10 5.795 -3.933 14.349 1.00 0.00 O ATOM 161 OE2 GLU A 10 5.727 -1.753 14.536 1.00 0.00 O ATOM 0 H GLU A 10 8.857 -4.694 12.246 1.00 0.00 H new ATOM 0 HA GLU A 10 10.007 -2.113 12.314 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.659 -3.730 14.510 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.884 -1.992 14.505 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.382 -1.716 12.641 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.317 -3.444 12.356 1.00 0.00 H new ATOM 168 N VAL A 11 11.423 -4.419 14.189 1.00 0.00 N ATOM 169 CA VAL A 11 12.624 -4.731 14.957 1.00 0.00 C ATOM 170 C VAL A 11 13.860 -4.581 14.078 1.00 0.00 C ATOM 171 O VAL A 11 14.873 -4.021 14.499 1.00 0.00 O ATOM 172 CB VAL A 11 12.574 -6.163 15.534 1.00 0.00 C ATOM 173 CG1 VAL A 11 13.827 -6.473 16.341 1.00 0.00 C ATOM 174 CG2 VAL A 11 11.326 -6.349 16.385 1.00 0.00 C ATOM 0 H VAL A 11 10.800 -5.213 14.043 1.00 0.00 H new ATOM 0 HA VAL A 11 12.675 -4.029 15.790 1.00 0.00 H new ATOM 0 HB VAL A 11 12.533 -6.864 14.700 1.00 0.00 H new ATOM 0 HG11 VAL A 11 13.764 -7.487 16.735 1.00 0.00 H new ATOM 0 HG12 VAL A 11 14.704 -6.387 15.699 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.911 -5.767 17.167 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.306 -7.363 16.784 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.337 -5.635 17.209 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.440 -6.182 15.773 1.00 0.00 H new ATOM 184 N ARG A 12 13.758 -5.067 12.844 1.00 0.00 N ATOM 185 CA ARG A 12 14.835 -4.914 11.871 1.00 0.00 C ATOM 186 C ARG A 12 15.074 -3.432 11.583 1.00 0.00 C ATOM 187 O ARG A 12 16.213 -2.987 11.461 1.00 0.00 O ATOM 188 CB ARG A 12 14.495 -5.651 10.573 1.00 0.00 C ATOM 189 CG ARG A 12 14.217 -7.136 10.768 1.00 0.00 C ATOM 190 CD ARG A 12 13.755 -7.801 9.479 1.00 0.00 C ATOM 191 NE ARG A 12 14.814 -7.873 8.472 1.00 0.00 N ATOM 192 CZ ARG A 12 14.703 -7.390 7.232 1.00 0.00 C ATOM 193 NH1 ARG A 12 13.594 -6.771 6.843 1.00 0.00 N ATOM 194 NH2 ARG A 12 15.697 -7.544 6.370 1.00 0.00 N ATOM 0 H ARG A 12 12.942 -5.569 12.495 1.00 0.00 H new ATOM 0 HA ARG A 12 15.744 -5.347 12.289 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.622 -5.183 10.118 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.321 -5.534 9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.119 -7.630 11.128 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.455 -7.265 11.536 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.401 -8.808 9.701 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.909 -7.247 9.072 1.00 0.00 H new ATOM 0 HE ARG A 12 15.693 -8.320 8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.816 -6.661 7.494 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.520 -6.406 5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.547 -8.031 6.653 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.612 -7.175 5.423 1.00 0.00 H new ATOM 208 N GLN A 13 13.983 -2.678 11.496 1.00 0.00 N ATOM 209 CA GLN A 13 14.043 -1.241 11.245 1.00 0.00 C ATOM 210 C GLN A 13 14.662 -0.505 12.433 1.00 0.00 C ATOM 211 O GLN A 13 15.426 0.441 12.250 1.00 0.00 O ATOM 212 CB GLN A 13 12.639 -0.701 10.967 1.00 0.00 C ATOM 213 CG GLN A 13 12.606 0.771 10.582 1.00 0.00 C ATOM 214 CD GLN A 13 11.192 1.283 10.383 1.00 0.00 C ATOM 215 OE1 GLN A 13 10.251 0.714 11.120 1.00 0.00 O flip ATOM 216 NE2 GLN A 13 10.951 2.186 9.580 1.00 0.00 N flip ATOM 0 H GLN A 13 13.036 -3.043 11.597 1.00 0.00 H new ATOM 0 HA GLN A 13 14.673 -1.071 10.372 1.00 0.00 H new ATOM 0 HB2 GLN A 13 12.188 -1.286 10.165 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.022 -0.848 11.854 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.097 1.358 11.358 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.175 0.917 9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.707 2.596 9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.995 2.523 9.463 1.00 0.00 H new ATOM 225 N ARG A 14 14.322 -0.943 13.647 1.00 0.00 N ATOM 226 CA ARG A 14 14.916 -0.389 14.864 1.00 0.00 C ATOM 227 C ARG A 14 16.430 -0.510 14.818 1.00 0.00 C ATOM 228 O ARG A 14 17.147 0.428 15.165 1.00 0.00 O ATOM 229 CB ARG A 14 14.375 -1.103 16.108 1.00 0.00 C ATOM 230 CG ARG A 14 12.965 -0.688 16.484 1.00 0.00 C ATOM 231 CD ARG A 14 12.933 0.725 17.049 1.00 0.00 C ATOM 232 NE ARG A 14 11.566 1.233 17.178 1.00 0.00 N ATOM 233 CZ ARG A 14 10.871 1.242 18.316 1.00 0.00 C ATOM 234 NH1 ARG A 14 11.406 0.764 19.434 1.00 0.00 N ATOM 235 NH2 ARG A 14 9.640 1.733 18.333 1.00 0.00 N ATOM 0 H ARG A 14 13.637 -1.681 13.813 1.00 0.00 H new ATOM 0 HA ARG A 14 14.645 0.665 14.922 1.00 0.00 H new ATOM 0 HB2 ARG A 14 14.394 -2.179 15.935 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.040 -0.903 16.949 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.321 -0.745 15.606 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.563 -1.385 17.220 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.418 0.736 18.025 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.506 1.388 16.401 1.00 0.00 H new ATOM 0 HE ARG A 14 11.115 1.605 16.342 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.354 0.387 19.425 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.869 0.774 20.301 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.227 2.103 17.477 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.106 1.741 19.202 1.00 0.00 H new ATOM 249 N ALA A 15 16.900 -1.669 14.376 1.00 0.00 N ATOM 250 CA ALA A 15 18.323 -1.912 14.212 1.00 0.00 C ATOM 251 C ALA A 15 18.920 -0.936 13.207 1.00 0.00 C ATOM 252 O ALA A 15 19.880 -0.229 13.509 1.00 0.00 O ATOM 253 CB ALA A 15 18.554 -3.349 13.769 1.00 0.00 C ATOM 0 H ALA A 15 16.309 -2.461 14.123 1.00 0.00 H new ATOM 0 HA ALA A 15 18.820 -1.756 15.169 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.623 -3.525 13.648 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.157 -4.030 14.522 1.00 0.00 H new ATOM 0 HB3 ALA A 15 18.048 -3.523 12.820 1.00 0.00 H new ATOM 259 N VAL A 16 18.320 -0.891 12.021 1.00 0.00 N ATOM 260 CA VAL A 16 18.781 -0.010 10.951 1.00 0.00 C ATOM 261 C VAL A 16 18.829 1.443 11.416 1.00 0.00 C ATOM 262 O VAL A 16 19.847 2.121 11.265 1.00 0.00 O ATOM 263 CB VAL A 16 17.871 -0.106 9.705 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.379 0.794 8.587 1.00 0.00 C ATOM 265 CG2 VAL A 16 17.772 -1.540 9.220 1.00 0.00 C ATOM 0 H VAL A 16 17.508 -1.458 11.775 1.00 0.00 H new ATOM 0 HA VAL A 16 19.785 -0.340 10.685 1.00 0.00 H new ATOM 0 HB VAL A 16 16.876 0.233 9.993 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.721 0.707 7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.393 1.828 8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.388 0.492 8.306 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.127 -1.584 8.343 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.765 -1.905 8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.353 -2.163 10.010 1.00 0.00 H new ATOM 275 N ARG A 17 17.724 1.907 11.988 1.00 0.00 N ATOM 276 CA ARG A 17 17.620 3.284 12.444 1.00 0.00 C ATOM 277 C ARG A 17 18.675 3.599 13.487 1.00 0.00 C ATOM 278 O ARG A 17 19.425 4.556 13.338 1.00 0.00 O ATOM 279 CB ARG A 17 16.241 3.575 13.033 1.00 0.00 C ATOM 280 CG ARG A 17 16.172 4.929 13.727 1.00 0.00 C ATOM 281 CD ARG A 17 14.864 5.117 14.466 1.00 0.00 C ATOM 282 NE ARG A 17 14.854 6.343 15.261 1.00 0.00 N ATOM 283 CZ ARG A 17 13.788 7.128 15.395 1.00 0.00 C ATOM 284 NH1 ARG A 17 12.690 6.896 14.681 1.00 0.00 N ATOM 285 NH2 ARG A 17 13.822 8.168 16.215 1.00 0.00 N ATOM 0 H ARG A 17 16.887 1.347 12.146 1.00 0.00 H new ATOM 0 HA ARG A 17 17.776 3.916 11.569 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.496 3.541 12.238 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.982 2.792 13.746 1.00 0.00 H new ATOM 0 HG2 ARG A 17 17.002 5.021 14.428 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.289 5.722 12.989 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.043 5.144 13.749 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.690 4.261 15.118 1.00 0.00 H new ATOM 0 HE ARG A 17 15.713 6.612 15.740 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.663 6.114 14.027 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.875 7.501 14.787 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.668 8.370 16.747 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.002 8.766 16.314 1.00 0.00 H new ATOM 299 N MET A 18 18.737 2.788 14.536 1.00 0.00 N ATOM 300 CA MET A 18 19.617 3.068 15.661 1.00 0.00 C ATOM 301 C MET A 18 21.079 3.107 15.221 1.00 0.00 C ATOM 302 O MET A 18 21.876 3.872 15.765 1.00 0.00 O ATOM 303 CB MET A 18 19.399 2.043 16.777 1.00 0.00 C ATOM 304 CG MET A 18 20.206 2.326 18.034 1.00 0.00 C ATOM 305 SD MET A 18 19.549 1.485 19.492 1.00 0.00 S ATOM 306 CE MET A 18 19.522 -0.216 18.931 1.00 0.00 C ATOM 0 H MET A 18 18.189 1.933 14.630 1.00 0.00 H new ATOM 0 HA MET A 18 19.369 4.055 16.053 1.00 0.00 H new ATOM 0 HB2 MET A 18 18.340 2.019 17.034 1.00 0.00 H new ATOM 0 HB3 MET A 18 19.659 1.052 16.404 1.00 0.00 H new ATOM 0 HG2 MET A 18 21.238 2.015 17.875 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.221 3.401 18.216 1.00 0.00 H new ATOM 0 HE1 MET A 18 19.858 -0.870 19.736 1.00 0.00 H new ATOM 0 HE2 MET A 18 18.507 -0.488 18.643 1.00 0.00 H new ATOM 0 HE3 MET A 18 20.185 -0.327 18.073 1.00 0.00 H new ATOM 316 N VAL A 19 21.427 2.302 14.220 1.00 0.00 N ATOM 317 CA VAL A 19 22.778 2.322 13.671 1.00 0.00 C ATOM 318 C VAL A 19 23.067 3.662 12.998 1.00 0.00 C ATOM 319 O VAL A 19 24.084 4.290 13.273 1.00 0.00 O ATOM 320 CB VAL A 19 23.014 1.173 12.664 1.00 0.00 C ATOM 321 CG1 VAL A 19 24.368 1.316 11.979 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.923 -0.171 13.365 1.00 0.00 C ATOM 0 H VAL A 19 20.797 1.633 13.776 1.00 0.00 H new ATOM 0 HA VAL A 19 23.462 2.181 14.508 1.00 0.00 H new ATOM 0 HB VAL A 19 22.237 1.228 11.901 1.00 0.00 H new ATOM 0 HG11 VAL A 19 24.509 0.495 11.276 1.00 0.00 H new ATOM 0 HG12 VAL A 19 24.406 2.264 11.442 1.00 0.00 H new ATOM 0 HG13 VAL A 19 25.159 1.291 12.728 1.00 0.00 H new ATOM 0 HG21 VAL A 19 23.091 -0.970 12.643 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.679 -0.225 14.148 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.933 -0.284 13.807 1.00 0.00 H new ATOM 332 N LEU A 20 22.159 4.105 12.134 1.00 0.00 N ATOM 333 CA LEU A 20 22.338 5.365 11.412 1.00 0.00 C ATOM 334 C LEU A 20 22.243 6.554 12.367 1.00 0.00 C ATOM 335 O LEU A 20 23.025 7.505 12.286 1.00 0.00 O ATOM 336 CB LEU A 20 21.287 5.501 10.306 1.00 0.00 C ATOM 337 CG LEU A 20 21.241 4.342 9.306 1.00 0.00 C ATOM 338 CD1 LEU A 20 20.156 4.581 8.270 1.00 0.00 C ATOM 339 CD2 LEU A 20 22.592 4.154 8.630 1.00 0.00 C ATOM 0 H LEU A 20 21.293 3.613 11.915 1.00 0.00 H new ATOM 0 HA LEU A 20 23.330 5.358 10.960 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.305 5.599 10.769 1.00 0.00 H new ATOM 0 HB3 LEU A 20 21.475 6.425 9.759 1.00 0.00 H new ATOM 0 HG LEU A 20 21.006 3.429 9.853 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.135 3.749 7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.189 4.660 8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 20 20.364 5.506 7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 20 22.534 3.325 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 20 22.862 5.066 8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 20 23.349 3.936 9.384 1.00 0.00 H new ATOM 351 N GLU A 21 21.284 6.479 13.278 1.00 0.00 N ATOM 352 CA GLU A 21 21.054 7.527 14.257 1.00 0.00 C ATOM 353 C GLU A 21 22.304 7.749 15.105 1.00 0.00 C ATOM 354 O GLU A 21 22.741 8.882 15.311 1.00 0.00 O ATOM 355 CB GLU A 21 19.868 7.139 15.143 1.00 0.00 C ATOM 356 CG GLU A 21 19.335 8.270 16.000 1.00 0.00 C ATOM 357 CD GLU A 21 18.234 7.815 16.939 1.00 0.00 C ATOM 358 OE1 GLU A 21 17.089 7.611 16.480 1.00 0.00 O ATOM 359 OE2 GLU A 21 18.511 7.652 18.145 1.00 0.00 O ATOM 0 H GLU A 21 20.644 5.689 13.358 1.00 0.00 H new ATOM 0 HA GLU A 21 20.827 8.459 13.740 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.062 6.767 14.510 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.168 6.317 15.792 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.152 8.697 16.582 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.955 9.062 15.355 1.00 0.00 H new ATOM 366 N SER A 22 22.893 6.655 15.568 1.00 0.00 N ATOM 367 CA SER A 22 24.099 6.720 16.381 1.00 0.00 C ATOM 368 C SER A 22 25.332 6.912 15.499 1.00 0.00 C ATOM 369 O SER A 22 26.414 7.225 15.988 1.00 0.00 O ATOM 370 CB SER A 22 24.231 5.451 17.220 1.00 0.00 C ATOM 371 OG SER A 22 23.003 5.146 17.862 1.00 0.00 O ATOM 0 H SER A 22 22.554 5.709 15.394 1.00 0.00 H new ATOM 0 HA SER A 22 24.025 7.577 17.051 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.532 4.618 16.584 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.015 5.582 17.966 1.00 0.00 H new ATOM 0 HG SER A 22 22.369 4.791 17.204 1.00 0.00 H new ATOM 377 N GLN A 23 25.154 6.736 14.193 1.00 0.00 N ATOM 378 CA GLN A 23 26.229 6.954 13.233 1.00 0.00 C ATOM 379 C GLN A 23 26.384 8.450 12.985 1.00 0.00 C ATOM 380 O GLN A 23 27.381 8.908 12.432 1.00 0.00 O ATOM 381 CB GLN A 23 25.935 6.211 11.929 1.00 0.00 C ATOM 382 CG GLN A 23 27.138 6.058 11.016 1.00 0.00 C ATOM 383 CD GLN A 23 26.837 5.175 9.824 1.00 0.00 C ATOM 384 OE1 GLN A 23 25.930 4.228 10.003 1.00 0.00 O flip ATOM 385 NE2 GLN A 23 27.418 5.334 8.750 1.00 0.00 N flip ATOM 0 H GLN A 23 24.271 6.442 13.775 1.00 0.00 H new ATOM 0 HA GLN A 23 27.164 6.563 13.636 1.00 0.00 H new ATOM 0 HB2 GLN A 23 25.546 5.221 12.168 1.00 0.00 H new ATOM 0 HB3 GLN A 23 25.149 6.741 11.391 1.00 0.00 H new ATOM 0 HG2 GLN A 23 27.456 7.041 10.668 1.00 0.00 H new ATOM 0 HG3 GLN A 23 27.969 5.635 11.580 1.00 0.00 H new ATOM 0 HE21 GLN A 23 28.111 6.075 8.650 1.00 0.00 H new ATOM 0 HE22 GLN A 23 27.206 4.724 7.960 1.00 0.00 H new ATOM 394 N GLY A 24 25.370 9.210 13.385 1.00 0.00 N ATOM 395 CA GLY A 24 25.518 10.650 13.454 1.00 0.00 C ATOM 396 C GLY A 24 26.505 11.042 14.538 1.00 0.00 C ATOM 397 O GLY A 24 27.136 12.097 14.473 1.00 0.00 O ATOM 0 H GLY A 24 24.454 8.856 13.661 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.859 11.031 12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.550 11.110 13.654 1.00 0.00 H new ATOM 401 N GLU A 25 26.652 10.163 15.524 1.00 0.00 N ATOM 402 CA GLU A 25 27.576 10.379 16.630 1.00 0.00 C ATOM 403 C GLU A 25 28.922 9.727 16.317 1.00 0.00 C ATOM 404 O GLU A 25 29.979 10.344 16.477 1.00 0.00 O ATOM 405 CB GLU A 25 27.001 9.787 17.922 1.00 0.00 C ATOM 406 CG GLU A 25 25.566 10.204 18.213 1.00 0.00 C ATOM 407 CD GLU A 25 25.410 11.694 18.443 1.00 0.00 C ATOM 408 OE1 GLU A 25 25.192 12.432 17.464 1.00 0.00 O ATOM 409 OE2 GLU A 25 25.492 12.136 19.610 1.00 0.00 O ATOM 0 H GLU A 25 26.136 9.285 15.578 1.00 0.00 H new ATOM 0 HA GLU A 25 27.719 11.451 16.765 1.00 0.00 H new ATOM 0 HB2 GLU A 25 27.047 8.700 17.862 1.00 0.00 H new ATOM 0 HB3 GLU A 25 27.632 10.087 18.759 1.00 0.00 H new ATOM 0 HG2 GLU A 25 24.931 9.904 17.379 1.00 0.00 H new ATOM 0 HG3 GLU A 25 25.211 9.668 19.093 1.00 0.00 H new ATOM 416 N TYR A 26 28.873 8.474 15.867 1.00 0.00 N ATOM 417 CA TYR A 26 30.078 7.728 15.500 1.00 0.00 C ATOM 418 C TYR A 26 30.387 7.905 14.018 1.00 0.00 C ATOM 419 O TYR A 26 29.570 7.571 13.166 1.00 0.00 O ATOM 420 CB TYR A 26 29.905 6.235 15.801 1.00 0.00 C ATOM 421 CG TYR A 26 29.850 5.887 17.272 1.00 0.00 C ATOM 422 CD1 TYR A 26 31.018 5.653 17.991 1.00 0.00 C ATOM 423 CD2 TYR A 26 28.635 5.775 17.939 1.00 0.00 C ATOM 424 CE1 TYR A 26 30.975 5.313 19.330 1.00 0.00 C ATOM 425 CE2 TYR A 26 28.586 5.440 19.277 1.00 0.00 C ATOM 426 CZ TYR A 26 29.757 5.210 19.969 1.00 0.00 C ATOM 427 OH TYR A 26 29.709 4.864 21.301 1.00 0.00 O ATOM 0 H TYR A 26 28.006 7.950 15.747 1.00 0.00 H new ATOM 0 HA TYR A 26 30.905 8.121 16.092 1.00 0.00 H new ATOM 0 HB2 TYR A 26 28.988 5.887 15.325 1.00 0.00 H new ATOM 0 HB3 TYR A 26 30.730 5.688 15.343 1.00 0.00 H new ATOM 0 HD1 TYR A 26 31.973 5.738 17.495 1.00 0.00 H new ATOM 0 HD2 TYR A 26 27.715 5.953 17.402 1.00 0.00 H new ATOM 0 HE1 TYR A 26 31.890 5.129 19.873 1.00 0.00 H new ATOM 0 HE2 TYR A 26 27.634 5.358 19.781 1.00 0.00 H new ATOM 0 HH TYR A 26 28.776 4.837 21.598 1.00 0.00 H new ATOM 437 N ASP A 27 31.577 8.411 13.717 1.00 0.00 N ATOM 438 CA ASP A 27 31.972 8.663 12.333 1.00 0.00 C ATOM 439 C ASP A 27 32.183 7.354 11.577 1.00 0.00 C ATOM 440 O ASP A 27 31.950 7.281 10.370 1.00 0.00 O ATOM 441 CB ASP A 27 33.253 9.502 12.271 1.00 0.00 C ATOM 442 CG ASP A 27 34.470 8.745 12.765 1.00 0.00 C ATOM 443 OD1 ASP A 27 34.739 8.781 13.982 1.00 0.00 O ATOM 444 OD2 ASP A 27 35.153 8.100 11.941 1.00 0.00 O ATOM 0 H ASP A 27 32.285 8.655 14.410 1.00 0.00 H new ATOM 0 HA ASP A 27 31.162 9.218 11.860 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.422 9.824 11.244 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.122 10.403 12.870 1.00 0.00 H new ATOM 449 N SER A 28 32.624 6.326 12.290 1.00 0.00 N ATOM 450 CA SER A 28 32.886 5.032 11.684 1.00 0.00 C ATOM 451 C SER A 28 31.734 4.066 11.965 1.00 0.00 C ATOM 452 O SER A 28 31.456 3.732 13.117 1.00 0.00 O ATOM 453 CB SER A 28 34.209 4.475 12.214 1.00 0.00 C ATOM 454 OG SER A 28 35.277 5.381 11.964 1.00 0.00 O ATOM 0 H SER A 28 32.808 6.366 13.293 1.00 0.00 H new ATOM 0 HA SER A 28 32.965 5.152 10.603 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.127 4.289 13.285 1.00 0.00 H new ATOM 0 HB3 SER A 28 34.421 3.517 11.740 1.00 0.00 H new ATOM 0 HG SER A 28 34.945 6.301 12.018 1.00 0.00 H new ATOM 460 N GLN A 29 31.077 3.620 10.897 1.00 0.00 N ATOM 461 CA GLN A 29 29.892 2.775 11.007 1.00 0.00 C ATOM 462 C GLN A 29 30.191 1.448 11.702 1.00 0.00 C ATOM 463 O GLN A 29 29.372 0.955 12.481 1.00 0.00 O ATOM 464 CB GLN A 29 29.294 2.518 9.620 1.00 0.00 C ATOM 465 CG GLN A 29 28.144 1.517 9.624 1.00 0.00 C ATOM 466 CD GLN A 29 27.449 1.398 8.282 1.00 0.00 C ATOM 467 OE1 GLN A 29 27.358 2.502 7.554 1.00 0.00 O flip ATOM 468 NE2 GLN A 29 26.968 0.327 7.914 1.00 0.00 N flip ATOM 0 H GLN A 29 31.349 3.833 9.937 1.00 0.00 H new ATOM 0 HA GLN A 29 29.169 3.311 11.622 1.00 0.00 H new ATOM 0 HB2 GLN A 29 28.941 3.462 9.206 1.00 0.00 H new ATOM 0 HB3 GLN A 29 30.079 2.153 8.958 1.00 0.00 H new ATOM 0 HG2 GLN A 29 28.524 0.538 9.917 1.00 0.00 H new ATOM 0 HG3 GLN A 29 27.415 1.814 10.378 1.00 0.00 H new ATOM 0 HE21 GLN A 29 27.058 -0.502 8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 29 26.479 0.268 7.021 1.00 0.00 H new ATOM 477 N TRP A 30 31.358 0.864 11.433 1.00 0.00 N ATOM 478 CA TRP A 30 31.703 -0.423 12.031 1.00 0.00 C ATOM 479 C TRP A 30 31.767 -0.311 13.553 1.00 0.00 C ATOM 480 O TRP A 30 31.467 -1.266 14.267 1.00 0.00 O ATOM 481 CB TRP A 30 33.028 -0.971 11.474 1.00 0.00 C ATOM 482 CG TRP A 30 34.251 -0.249 11.958 1.00 0.00 C ATOM 483 CD1 TRP A 30 34.793 0.889 11.439 1.00 0.00 C ATOM 484 CD2 TRP A 30 35.093 -0.629 13.054 1.00 0.00 C ATOM 485 NE1 TRP A 30 35.911 1.243 12.148 1.00 0.00 N ATOM 486 CE2 TRP A 30 36.118 0.329 13.143 1.00 0.00 C ATOM 487 CE3 TRP A 30 35.077 -1.684 13.975 1.00 0.00 C ATOM 488 CZ2 TRP A 30 37.118 0.267 14.105 1.00 0.00 C ATOM 489 CZ3 TRP A 30 36.074 -1.745 14.931 1.00 0.00 C ATOM 490 CH2 TRP A 30 37.081 -0.773 14.991 1.00 0.00 C ATOM 0 H TRP A 30 32.070 1.254 10.815 1.00 0.00 H new ATOM 0 HA TRP A 30 30.916 -1.129 11.766 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.113 -2.024 11.743 1.00 0.00 H new ATOM 0 HB3 TRP A 30 32.999 -0.921 10.386 1.00 0.00 H new ATOM 0 HD1 TRP A 30 34.399 1.432 10.593 1.00 0.00 H new ATOM 0 HE1 TRP A 30 36.495 2.058 11.963 1.00 0.00 H new ATOM 0 HE3 TRP A 30 34.301 -2.435 13.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 37.897 1.014 14.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 36.076 -2.556 15.644 1.00 0.00 H new ATOM 0 HH2 TRP A 30 37.843 -0.847 15.753 1.00 0.00 H new ATOM 501 N ALA A 31 32.135 0.870 14.044 1.00 0.00 N ATOM 502 CA ALA A 31 32.207 1.110 15.478 1.00 0.00 C ATOM 503 C ALA A 31 30.806 1.149 16.075 1.00 0.00 C ATOM 504 O ALA A 31 30.583 0.709 17.203 1.00 0.00 O ATOM 505 CB ALA A 31 32.947 2.407 15.762 1.00 0.00 C ATOM 0 H ALA A 31 32.387 1.673 13.468 1.00 0.00 H new ATOM 0 HA ALA A 31 32.759 0.293 15.943 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.992 2.572 16.839 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.959 2.344 15.362 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.421 3.237 15.290 1.00 0.00 H new ATOM 511 N THR A 32 29.866 1.663 15.296 1.00 0.00 N ATOM 512 CA THR A 32 28.473 1.714 15.700 1.00 0.00 C ATOM 513 C THR A 32 27.887 0.304 15.738 1.00 0.00 C ATOM 514 O THR A 32 27.186 -0.069 16.677 1.00 0.00 O ATOM 515 CB THR A 32 27.655 2.580 14.722 1.00 0.00 C ATOM 516 OG1 THR A 32 28.421 3.726 14.331 1.00 0.00 O ATOM 517 CG2 THR A 32 26.357 3.036 15.363 1.00 0.00 C ATOM 0 H THR A 32 30.048 2.054 14.372 1.00 0.00 H new ATOM 0 HA THR A 32 28.422 2.158 16.694 1.00 0.00 H new ATOM 0 HB THR A 32 27.420 1.977 13.845 1.00 0.00 H new ATOM 0 HG1 THR A 32 27.898 4.272 13.708 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.796 3.646 14.655 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.764 2.165 15.642 1.00 0.00 H new ATOM 0 HG23 THR A 32 26.578 3.625 16.253 1.00 0.00 H new ATOM 525 N ILE A 33 28.204 -0.481 14.718 1.00 0.00 N ATOM 526 CA ILE A 33 27.725 -1.854 14.619 1.00 0.00 C ATOM 527 C ILE A 33 28.209 -2.691 15.803 1.00 0.00 C ATOM 528 O ILE A 33 27.425 -3.413 16.422 1.00 0.00 O ATOM 529 CB ILE A 33 28.190 -2.515 13.300 1.00 0.00 C ATOM 530 CG1 ILE A 33 27.636 -1.742 12.101 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.750 -3.973 13.243 1.00 0.00 C ATOM 532 CD1 ILE A 33 28.105 -2.272 10.763 1.00 0.00 C ATOM 0 H ILE A 33 28.796 -0.188 13.941 1.00 0.00 H new ATOM 0 HA ILE A 33 26.636 -1.816 14.631 1.00 0.00 H new ATOM 0 HB ILE A 33 29.279 -2.487 13.264 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.547 -1.773 12.132 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.927 -0.695 12.189 1.00 0.00 H new ATOM 0 HG21 ILE A 33 28.087 -4.419 12.307 1.00 0.00 H new ATOM 0 HG22 ILE A 33 28.185 -4.517 14.081 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.663 -4.027 13.300 1.00 0.00 H new ATOM 0 HD11 ILE A 33 27.671 -1.674 9.962 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.192 -2.215 10.710 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.790 -3.310 10.652 1.00 0.00 H new ATOM 544 N CYS A 34 29.490 -2.564 16.134 1.00 0.00 N ATOM 545 CA CYS A 34 30.092 -3.358 17.202 1.00 0.00 C ATOM 546 C CYS A 34 29.497 -3.016 18.572 1.00 0.00 C ATOM 547 O CYS A 34 29.511 -3.843 19.482 1.00 0.00 O ATOM 548 CB CYS A 34 31.606 -3.151 17.231 1.00 0.00 C ATOM 549 SG CYS A 34 32.444 -3.621 15.700 1.00 0.00 S ATOM 0 H CYS A 34 30.133 -1.918 15.677 1.00 0.00 H new ATOM 0 HA CYS A 34 29.871 -4.404 16.991 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.815 -2.102 17.439 1.00 0.00 H new ATOM 0 HB3 CYS A 34 32.025 -3.729 18.054 1.00 0.00 H new ATOM 0 HG CYS A 34 32.275 -2.689 14.809 1.00 0.00 H new ATOM 555 N SER A 35 28.976 -1.805 18.722 1.00 0.00 N ATOM 556 CA SER A 35 28.438 -1.372 20.005 1.00 0.00 C ATOM 557 C SER A 35 26.939 -1.643 20.112 1.00 0.00 C ATOM 558 O SER A 35 26.411 -1.821 21.212 1.00 0.00 O ATOM 559 CB SER A 35 28.741 0.113 20.224 1.00 0.00 C ATOM 560 OG SER A 35 28.548 0.855 19.032 1.00 0.00 O ATOM 0 H SER A 35 28.915 -1.110 17.978 1.00 0.00 H new ATOM 0 HA SER A 35 28.925 -1.953 20.788 1.00 0.00 H new ATOM 0 HB2 SER A 35 28.096 0.507 21.009 1.00 0.00 H new ATOM 0 HB3 SER A 35 29.769 0.231 20.567 1.00 0.00 H new ATOM 0 HG SER A 35 29.378 0.859 18.511 1.00 0.00 H new ATOM 566 N ILE A 36 26.262 -1.698 18.971 1.00 0.00 N ATOM 567 CA ILE A 36 24.819 -1.912 18.948 1.00 0.00 C ATOM 568 C ILE A 36 24.472 -3.402 18.891 1.00 0.00 C ATOM 569 O ILE A 36 23.425 -3.823 19.391 1.00 0.00 O ATOM 570 CB ILE A 36 24.171 -1.160 17.763 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.324 0.352 17.964 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.702 -1.535 17.601 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.703 1.182 16.863 1.00 0.00 C ATOM 0 H ILE A 36 26.688 -1.597 18.050 1.00 0.00 H new ATOM 0 HA ILE A 36 24.414 -1.511 19.877 1.00 0.00 H new ATOM 0 HB ILE A 36 24.685 -1.454 16.848 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.870 0.630 18.915 1.00 0.00 H new ATOM 0 HG13 ILE A 36 25.385 0.594 18.034 1.00 0.00 H new ATOM 0 HG21 ILE A 36 22.278 -0.988 16.759 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.618 -2.606 17.417 1.00 0.00 H new ATOM 0 HG23 ILE A 36 22.159 -1.279 18.511 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.853 2.240 17.077 1.00 0.00 H new ATOM 0 HD12 ILE A 36 24.173 0.934 15.911 1.00 0.00 H new ATOM 0 HD13 ILE A 36 22.635 0.971 16.806 1.00 0.00 H new ATOM 585 N ALA A 37 25.357 -4.201 18.305 1.00 0.00 N ATOM 586 CA ALA A 37 25.142 -5.647 18.208 1.00 0.00 C ATOM 587 C ALA A 37 24.830 -6.282 19.577 1.00 0.00 C ATOM 588 O ALA A 37 23.822 -6.981 19.714 1.00 0.00 O ATOM 589 CB ALA A 37 26.341 -6.321 17.559 1.00 0.00 C ATOM 0 H ALA A 37 26.230 -3.876 17.889 1.00 0.00 H new ATOM 0 HA ALA A 37 24.267 -5.804 17.578 1.00 0.00 H new ATOM 0 HB1 ALA A 37 26.164 -7.395 17.495 1.00 0.00 H new ATOM 0 HB2 ALA A 37 26.487 -5.917 16.557 1.00 0.00 H new ATOM 0 HB3 ALA A 37 27.232 -6.135 18.159 1.00 0.00 H new ATOM 595 N PRO A 38 25.666 -6.042 20.622 1.00 0.00 N ATOM 596 CA PRO A 38 25.423 -6.601 21.961 1.00 0.00 C ATOM 597 C PRO A 38 24.207 -5.985 22.650 1.00 0.00 C ATOM 598 O PRO A 38 23.792 -6.442 23.713 1.00 0.00 O ATOM 599 CB PRO A 38 26.701 -6.264 22.731 1.00 0.00 C ATOM 600 CG PRO A 38 27.258 -5.072 22.040 1.00 0.00 C ATOM 601 CD PRO A 38 26.911 -5.244 20.590 1.00 0.00 C ATOM 0 HA PRO A 38 25.206 -7.668 21.914 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.487 -6.050 23.778 1.00 0.00 H new ATOM 0 HB3 PRO A 38 27.405 -7.096 22.713 1.00 0.00 H new ATOM 0 HG2 PRO A 38 26.829 -4.153 22.439 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.337 -5.007 22.179 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.759 -4.284 20.098 1.00 0.00 H new ATOM 0 HD3 PRO A 38 27.703 -5.759 20.047 1.00 0.00 H new ATOM 609 N LYS A 39 23.646 -4.944 22.049 1.00 0.00 N ATOM 610 CA LYS A 39 22.428 -4.327 22.560 1.00 0.00 C ATOM 611 C LYS A 39 21.211 -5.081 22.049 1.00 0.00 C ATOM 612 O LYS A 39 20.219 -5.248 22.758 1.00 0.00 O ATOM 613 CB LYS A 39 22.342 -2.859 22.132 1.00 0.00 C ATOM 614 CG LYS A 39 23.306 -1.944 22.866 1.00 0.00 C ATOM 615 CD LYS A 39 22.948 -1.839 24.337 1.00 0.00 C ATOM 616 CE LYS A 39 23.829 -0.832 25.054 1.00 0.00 C ATOM 617 NZ LYS A 39 23.478 -0.715 26.491 1.00 0.00 N ATOM 0 H LYS A 39 24.016 -4.508 21.205 1.00 0.00 H new ATOM 0 HA LYS A 39 22.452 -4.371 23.649 1.00 0.00 H new ATOM 0 HB2 LYS A 39 22.537 -2.791 21.062 1.00 0.00 H new ATOM 0 HB3 LYS A 39 21.325 -2.503 22.294 1.00 0.00 H new ATOM 0 HG2 LYS A 39 24.323 -2.323 22.762 1.00 0.00 H new ATOM 0 HG3 LYS A 39 23.288 -0.953 22.413 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.903 -1.546 24.438 1.00 0.00 H new ATOM 0 HD3 LYS A 39 23.053 -2.816 24.809 1.00 0.00 H new ATOM 0 HE2 LYS A 39 24.873 -1.130 24.958 1.00 0.00 H new ATOM 0 HE3 LYS A 39 23.730 0.142 24.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 24.102 -0.018 26.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 22.489 -0.406 26.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 23.596 -1.639 26.954 1.00 0.00 H new ATOM 631 N ILE A 40 21.301 -5.540 20.812 1.00 0.00 N ATOM 632 CA ILE A 40 20.227 -6.303 20.198 1.00 0.00 C ATOM 633 C ILE A 40 20.267 -7.747 20.682 1.00 0.00 C ATOM 634 O ILE A 40 19.234 -8.351 20.963 1.00 0.00 O ATOM 635 CB ILE A 40 20.334 -6.276 18.658 1.00 0.00 C ATOM 636 CG1 ILE A 40 20.352 -4.829 18.157 1.00 0.00 C ATOM 637 CG2 ILE A 40 19.183 -7.048 18.023 1.00 0.00 C ATOM 638 CD1 ILE A 40 20.569 -4.702 16.667 1.00 0.00 C ATOM 0 H ILE A 40 22.112 -5.396 20.210 1.00 0.00 H new ATOM 0 HA ILE A 40 19.282 -5.844 20.489 1.00 0.00 H new ATOM 0 HB ILE A 40 21.267 -6.759 18.367 1.00 0.00 H new ATOM 0 HG12 ILE A 40 19.408 -4.352 18.419 1.00 0.00 H new ATOM 0 HG13 ILE A 40 21.140 -4.284 18.677 1.00 0.00 H new ATOM 0 HG21 ILE A 40 19.278 -7.016 16.938 1.00 0.00 H new ATOM 0 HG22 ILE A 40 19.211 -8.084 18.359 1.00 0.00 H new ATOM 0 HG23 ILE A 40 18.236 -6.596 18.318 1.00 0.00 H new ATOM 0 HD11 ILE A 40 20.569 -3.648 16.388 1.00 0.00 H new ATOM 0 HD12 ILE A 40 21.527 -5.149 16.399 1.00 0.00 H new ATOM 0 HD13 ILE A 40 19.768 -5.217 16.137 1.00 0.00 H new ATOM 650 N GLY A 41 21.475 -8.280 20.801 1.00 0.00 N ATOM 651 CA GLY A 41 21.640 -9.665 21.191 1.00 0.00 C ATOM 652 C GLY A 41 21.745 -10.563 19.982 1.00 0.00 C ATOM 653 O GLY A 41 21.185 -11.659 19.955 1.00 0.00 O ATOM 0 H GLY A 41 22.346 -7.776 20.634 1.00 0.00 H new ATOM 0 HA2 GLY A 41 22.536 -9.769 21.804 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.795 -9.976 21.806 1.00 0.00 H new ATOM 657 N CYS A 42 22.450 -10.080 18.971 1.00 0.00 N ATOM 658 CA CYS A 42 22.624 -10.813 17.730 1.00 0.00 C ATOM 659 C CYS A 42 24.002 -10.536 17.144 1.00 0.00 C ATOM 660 O CYS A 42 24.761 -9.727 17.680 1.00 0.00 O ATOM 661 CB CYS A 42 21.537 -10.428 16.720 1.00 0.00 C ATOM 662 SG CYS A 42 19.859 -10.866 17.235 1.00 0.00 S ATOM 0 H CYS A 42 22.915 -9.173 18.989 1.00 0.00 H new ATOM 0 HA CYS A 42 22.538 -11.878 17.944 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.583 -9.353 16.546 1.00 0.00 H new ATOM 0 HB3 CYS A 42 21.752 -10.915 15.769 1.00 0.00 H new ATOM 0 HG CYS A 42 19.895 -11.408 18.416 1.00 0.00 H new ATOM 668 N THR A 43 24.311 -11.205 16.046 1.00 0.00 N ATOM 669 CA THR A 43 25.592 -11.053 15.381 1.00 0.00 C ATOM 670 C THR A 43 25.677 -9.729 14.620 1.00 0.00 C ATOM 671 O THR A 43 24.731 -9.334 13.933 1.00 0.00 O ATOM 672 CB THR A 43 25.820 -12.233 14.421 1.00 0.00 C ATOM 673 OG1 THR A 43 24.554 -12.828 14.084 1.00 0.00 O ATOM 674 CG2 THR A 43 26.725 -13.281 15.048 1.00 0.00 C ATOM 0 H THR A 43 23.682 -11.867 15.592 1.00 0.00 H new ATOM 0 HA THR A 43 26.372 -11.046 16.143 1.00 0.00 H new ATOM 0 HB THR A 43 26.305 -11.856 13.521 1.00 0.00 H new ATOM 0 HG1 THR A 43 24.698 -13.579 13.471 1.00 0.00 H new ATOM 0 HG21 THR A 43 26.869 -14.104 14.347 1.00 0.00 H new ATOM 0 HG22 THR A 43 27.690 -12.833 15.285 1.00 0.00 H new ATOM 0 HG23 THR A 43 26.266 -13.659 15.962 1.00 0.00 H new ATOM 682 N PRO A 44 26.820 -9.027 14.740 1.00 0.00 N ATOM 683 CA PRO A 44 27.042 -7.741 14.067 1.00 0.00 C ATOM 684 C PRO A 44 26.878 -7.850 12.557 1.00 0.00 C ATOM 685 O PRO A 44 26.385 -6.929 11.904 1.00 0.00 O ATOM 686 CB PRO A 44 28.491 -7.385 14.422 1.00 0.00 C ATOM 687 CG PRO A 44 28.789 -8.166 15.654 1.00 0.00 C ATOM 688 CD PRO A 44 27.984 -9.430 15.547 1.00 0.00 C ATOM 0 HA PRO A 44 26.320 -6.988 14.385 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.172 -7.649 13.613 1.00 0.00 H new ATOM 0 HB3 PRO A 44 28.603 -6.315 14.596 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.854 -8.387 15.728 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.517 -7.604 16.548 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.550 -10.227 15.065 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.684 -9.800 16.528 1.00 0.00 H new ATOM 696 N GLU A 45 27.293 -8.987 12.009 1.00 0.00 N ATOM 697 CA GLU A 45 27.144 -9.260 10.588 1.00 0.00 C ATOM 698 C GLU A 45 25.677 -9.169 10.162 1.00 0.00 C ATOM 699 O GLU A 45 25.358 -8.576 9.133 1.00 0.00 O ATOM 700 CB GLU A 45 27.713 -10.644 10.266 1.00 0.00 C ATOM 701 CG GLU A 45 27.098 -11.770 11.085 1.00 0.00 C ATOM 702 CD GLU A 45 27.829 -13.083 10.905 1.00 0.00 C ATOM 703 OE1 GLU A 45 28.181 -13.418 9.760 1.00 0.00 O ATOM 704 OE2 GLU A 45 28.070 -13.781 11.912 1.00 0.00 O ATOM 0 H GLU A 45 27.739 -9.739 12.535 1.00 0.00 H new ATOM 0 HA GLU A 45 27.699 -8.507 10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 45 27.559 -10.852 9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 45 28.790 -10.632 10.435 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.107 -11.495 12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 45 26.054 -11.896 10.797 1.00 0.00 H new ATOM 711 N THR A 46 24.793 -9.727 10.980 1.00 0.00 N ATOM 712 CA THR A 46 23.367 -9.721 10.699 1.00 0.00 C ATOM 713 C THR A 46 22.812 -8.303 10.783 1.00 0.00 C ATOM 714 O THR A 46 21.940 -7.914 10.004 1.00 0.00 O ATOM 715 CB THR A 46 22.620 -10.635 11.690 1.00 0.00 C ATOM 716 OG1 THR A 46 23.312 -11.889 11.805 1.00 0.00 O ATOM 717 CG2 THR A 46 21.190 -10.881 11.230 1.00 0.00 C ATOM 0 H THR A 46 25.045 -10.193 11.852 1.00 0.00 H new ATOM 0 HA THR A 46 23.217 -10.098 9.688 1.00 0.00 H new ATOM 0 HB THR A 46 22.590 -10.140 12.661 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.665 -11.986 12.714 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.684 -11.529 11.946 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.661 -9.930 11.163 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.200 -11.360 10.251 1.00 0.00 H new ATOM 725 N LEU A 47 23.347 -7.532 11.723 1.00 0.00 N ATOM 726 CA LEU A 47 22.968 -6.134 11.891 1.00 0.00 C ATOM 727 C LEU A 47 23.252 -5.347 10.614 1.00 0.00 C ATOM 728 O LEU A 47 22.423 -4.561 10.156 1.00 0.00 O ATOM 729 CB LEU A 47 23.726 -5.523 13.079 1.00 0.00 C ATOM 730 CG LEU A 47 23.508 -4.026 13.302 1.00 0.00 C ATOM 731 CD1 LEU A 47 22.036 -3.722 13.514 1.00 0.00 C ATOM 732 CD2 LEU A 47 24.322 -3.545 14.492 1.00 0.00 C ATOM 0 H LEU A 47 24.051 -7.856 12.386 1.00 0.00 H new ATOM 0 HA LEU A 47 21.898 -6.082 12.094 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.434 -6.054 13.985 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.792 -5.699 12.936 1.00 0.00 H new ATOM 0 HG LEU A 47 23.843 -3.496 12.411 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.904 -2.651 13.671 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.470 -4.032 12.636 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.675 -4.264 14.388 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.157 -2.478 14.638 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.013 -4.086 15.386 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.381 -3.726 14.306 1.00 0.00 H new ATOM 744 N ARG A 48 24.422 -5.584 10.034 1.00 0.00 N ATOM 745 CA ARG A 48 24.813 -4.916 8.800 1.00 0.00 C ATOM 746 C ARG A 48 23.907 -5.341 7.646 1.00 0.00 C ATOM 747 O ARG A 48 23.591 -4.539 6.766 1.00 0.00 O ATOM 748 CB ARG A 48 26.279 -5.220 8.480 1.00 0.00 C ATOM 749 CG ARG A 48 26.778 -4.551 7.211 1.00 0.00 C ATOM 750 CD ARG A 48 28.285 -4.698 7.061 1.00 0.00 C ATOM 751 NE ARG A 48 28.767 -4.139 5.800 1.00 0.00 N ATOM 752 CZ ARG A 48 29.528 -3.048 5.700 1.00 0.00 C ATOM 753 NH1 ARG A 48 29.885 -2.376 6.788 1.00 0.00 N ATOM 754 NH2 ARG A 48 29.921 -2.628 4.506 1.00 0.00 N ATOM 0 H ARG A 48 25.117 -6.235 10.399 1.00 0.00 H new ATOM 0 HA ARG A 48 24.703 -3.840 8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.899 -4.899 9.317 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.405 -6.299 8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 48 26.280 -4.990 6.347 1.00 0.00 H new ATOM 0 HG3 ARG A 48 26.514 -3.494 7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.782 -4.199 7.892 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.554 -5.753 7.116 1.00 0.00 H new ATOM 0 HE ARG A 48 28.504 -4.615 4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.577 -2.693 7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 48 30.467 -1.543 6.705 1.00 0.00 H new ATOM 0 HH21 ARG A 48 29.641 -3.138 3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 48 30.503 -1.794 4.425 1.00 0.00 H new ATOM 768 N VAL A 49 23.482 -6.601 7.663 1.00 0.00 N ATOM 769 CA VAL A 49 22.570 -7.115 6.647 1.00 0.00 C ATOM 770 C VAL A 49 21.235 -6.374 6.691 1.00 0.00 C ATOM 771 O VAL A 49 20.712 -5.971 5.649 1.00 0.00 O ATOM 772 CB VAL A 49 22.320 -8.633 6.811 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.315 -9.135 5.783 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.623 -9.410 6.692 1.00 0.00 C ATOM 0 H VAL A 49 23.755 -7.285 8.369 1.00 0.00 H new ATOM 0 HA VAL A 49 23.047 -6.948 5.681 1.00 0.00 H new ATOM 0 HB VAL A 49 21.906 -8.796 7.806 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.157 -10.205 5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.369 -8.609 5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.698 -8.951 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.424 -10.475 6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 49 24.066 -9.230 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.315 -9.082 7.468 1.00 0.00 H new ATOM 784 N TRP A 50 20.701 -6.180 7.896 1.00 0.00 N ATOM 785 CA TRP A 50 19.435 -5.471 8.073 1.00 0.00 C ATOM 786 C TRP A 50 19.503 -4.072 7.475 1.00 0.00 C ATOM 787 O TRP A 50 18.611 -3.661 6.733 1.00 0.00 O ATOM 788 CB TRP A 50 19.060 -5.377 9.557 1.00 0.00 C ATOM 789 CG TRP A 50 18.649 -6.687 10.162 1.00 0.00 C ATOM 790 CD1 TRP A 50 17.929 -7.674 9.557 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.911 -7.144 11.498 1.00 0.00 C ATOM 792 NE1 TRP A 50 17.730 -8.718 10.425 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.326 -8.418 11.624 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.589 -6.604 12.595 1.00 0.00 C ATOM 795 CZ2 TRP A 50 18.394 -9.157 12.804 1.00 0.00 C ATOM 796 CZ3 TRP A 50 19.655 -7.337 13.765 1.00 0.00 C ATOM 797 CH2 TRP A 50 19.062 -8.603 13.862 1.00 0.00 C ATOM 0 H TRP A 50 21.126 -6.504 8.765 1.00 0.00 H new ATOM 0 HA TRP A 50 18.667 -6.041 7.550 1.00 0.00 H new ATOM 0 HB2 TRP A 50 19.910 -4.982 10.113 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.245 -4.663 9.672 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.567 -7.639 8.540 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.222 -9.577 10.213 1.00 0.00 H new ATOM 0 HE3 TRP A 50 20.053 -5.631 12.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.936 -10.132 12.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 20.173 -6.927 14.619 1.00 0.00 H new ATOM 0 HH2 TRP A 50 19.134 -9.152 14.789 1.00 0.00 H new ATOM 808 N VAL A 51 20.571 -3.351 7.796 1.00 0.00 N ATOM 809 CA VAL A 51 20.767 -2.003 7.276 1.00 0.00 C ATOM 810 C VAL A 51 20.842 -2.023 5.753 1.00 0.00 C ATOM 811 O VAL A 51 20.166 -1.250 5.076 1.00 0.00 O ATOM 812 CB VAL A 51 22.053 -1.358 7.845 1.00 0.00 C ATOM 813 CG1 VAL A 51 22.240 0.055 7.308 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.017 -1.353 9.365 1.00 0.00 C ATOM 0 H VAL A 51 21.314 -3.677 8.414 1.00 0.00 H new ATOM 0 HA VAL A 51 19.911 -1.406 7.591 1.00 0.00 H new ATOM 0 HB VAL A 51 22.904 -1.956 7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 51 23.151 0.485 7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 51 22.317 0.024 6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 51 21.386 0.669 7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 51 22.929 -0.896 9.749 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.153 -0.782 9.707 1.00 0.00 H new ATOM 0 HG23 VAL A 51 21.943 -2.377 9.731 1.00 0.00 H new ATOM 824 N ARG A 52 21.646 -2.940 5.231 1.00 0.00 N ATOM 825 CA ARG A 52 21.872 -3.053 3.795 1.00 0.00 C ATOM 826 C ARG A 52 20.575 -3.367 3.041 1.00 0.00 C ATOM 827 O ARG A 52 20.244 -2.721 2.037 1.00 0.00 O ATOM 828 CB ARG A 52 22.903 -4.148 3.531 1.00 0.00 C ATOM 829 CG ARG A 52 23.335 -4.246 2.082 1.00 0.00 C ATOM 830 CD ARG A 52 24.286 -5.411 1.873 1.00 0.00 C ATOM 831 NE ARG A 52 24.813 -5.442 0.514 1.00 0.00 N ATOM 832 CZ ARG A 52 25.005 -6.556 -0.183 1.00 0.00 C ATOM 833 NH1 ARG A 52 24.700 -7.734 0.346 1.00 0.00 N ATOM 834 NH2 ARG A 52 25.494 -6.497 -1.413 1.00 0.00 N ATOM 0 H ARG A 52 22.158 -3.624 5.788 1.00 0.00 H new ATOM 0 HA ARG A 52 22.242 -2.094 3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.781 -3.964 4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 52 22.488 -5.107 3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 52 22.459 -4.369 1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 52 23.820 -3.318 1.780 1.00 0.00 H new ATOM 0 HD2 ARG A 52 25.111 -5.338 2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.767 -6.346 2.083 1.00 0.00 H new ATOM 0 HE ARG A 52 25.049 -4.554 0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 52 24.317 -7.785 1.290 1.00 0.00 H new ATOM 0 HH12 ARG A 52 24.848 -8.588 -0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 52 25.724 -5.594 -1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 52 25.640 -7.355 -1.945 1.00 0.00 H new ATOM 848 N GLN A 53 19.837 -4.355 3.528 1.00 0.00 N ATOM 849 CA GLN A 53 18.600 -4.766 2.878 1.00 0.00 C ATOM 850 C GLN A 53 17.564 -3.651 2.936 1.00 0.00 C ATOM 851 O GLN A 53 16.782 -3.474 2.003 1.00 0.00 O ATOM 852 CB GLN A 53 18.043 -6.038 3.518 1.00 0.00 C ATOM 853 CG GLN A 53 18.903 -7.272 3.277 1.00 0.00 C ATOM 854 CD GLN A 53 19.105 -7.562 1.802 1.00 0.00 C ATOM 855 OE1 GLN A 53 20.055 -7.081 1.185 1.00 0.00 O ATOM 856 NE2 GLN A 53 18.214 -8.351 1.223 1.00 0.00 N ATOM 0 H GLN A 53 20.072 -4.885 4.367 1.00 0.00 H new ATOM 0 HA GLN A 53 18.826 -4.977 1.833 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.943 -5.880 4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.042 -6.222 3.128 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.874 -7.132 3.753 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.436 -8.134 3.753 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.440 -8.731 1.767 1.00 0.00 H new ATOM 0 HE22 GLN A 53 18.302 -8.579 0.233 1.00 0.00 H new ATOM 865 N HIS A 54 17.582 -2.886 4.021 1.00 0.00 N ATOM 866 CA HIS A 54 16.650 -1.775 4.179 1.00 0.00 C ATOM 867 C HIS A 54 16.978 -0.661 3.185 1.00 0.00 C ATOM 868 O HIS A 54 16.099 0.097 2.777 1.00 0.00 O ATOM 869 CB HIS A 54 16.676 -1.239 5.612 1.00 0.00 C ATOM 870 CG HIS A 54 15.512 -0.353 5.939 1.00 0.00 C ATOM 871 ND1 HIS A 54 14.278 -0.848 6.295 1.00 0.00 N ATOM 872 CD2 HIS A 54 15.395 0.997 5.970 1.00 0.00 C ATOM 873 CE1 HIS A 54 13.455 0.152 6.532 1.00 0.00 C ATOM 874 NE2 HIS A 54 14.105 1.281 6.343 1.00 0.00 N ATOM 0 H HIS A 54 18.227 -3.013 4.801 1.00 0.00 H new ATOM 0 HA HIS A 54 15.644 -2.142 3.973 1.00 0.00 H new ATOM 0 HB2 HIS A 54 16.689 -2.079 6.306 1.00 0.00 H new ATOM 0 HB3 HIS A 54 17.601 -0.683 5.767 1.00 0.00 H new ATOM 0 HD2 HIS A 54 16.170 1.714 5.744 1.00 0.00 H new ATOM 0 HE1 HIS A 54 12.421 0.061 6.831 1.00 0.00 H new ATOM 0 HE2 HIS A 54 13.713 2.216 6.456 1.00 0.00 H new ATOM 883 N GLU A 55 18.251 -0.569 2.800 1.00 0.00 N ATOM 884 CA GLU A 55 18.668 0.369 1.759 1.00 0.00 C ATOM 885 C GLU A 55 18.041 -0.034 0.428 1.00 0.00 C ATOM 886 O GLU A 55 17.658 0.817 -0.378 1.00 0.00 O ATOM 887 CB GLU A 55 20.196 0.404 1.625 1.00 0.00 C ATOM 888 CG GLU A 55 20.921 0.809 2.898 1.00 0.00 C ATOM 889 CD GLU A 55 22.417 0.926 2.704 1.00 0.00 C ATOM 890 OE1 GLU A 55 23.072 -0.100 2.429 1.00 0.00 O ATOM 891 OE2 GLU A 55 22.946 2.051 2.820 1.00 0.00 O ATOM 0 H GLU A 55 19.008 -1.130 3.191 1.00 0.00 H new ATOM 0 HA GLU A 55 18.329 1.367 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.546 -0.582 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.465 1.099 0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.528 1.764 3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 55 20.716 0.075 3.678 1.00 0.00 H new ATOM 898 N ARG A 56 17.931 -1.346 0.213 1.00 0.00 N ATOM 899 CA ARG A 56 17.265 -1.876 -0.978 1.00 0.00 C ATOM 900 C ARG A 56 15.769 -1.558 -0.952 1.00 0.00 C ATOM 901 O ARG A 56 15.160 -1.324 -1.998 1.00 0.00 O ATOM 902 CB ARG A 56 17.487 -3.385 -1.106 1.00 0.00 C ATOM 903 CG ARG A 56 18.901 -3.752 -1.528 1.00 0.00 C ATOM 904 CD ARG A 56 19.085 -5.257 -1.655 1.00 0.00 C ATOM 905 NE ARG A 56 18.115 -5.860 -2.572 1.00 0.00 N ATOM 906 CZ ARG A 56 18.424 -6.365 -3.768 1.00 0.00 C ATOM 907 NH1 ARG A 56 19.668 -6.301 -4.224 1.00 0.00 N ATOM 908 NH2 ARG A 56 17.478 -6.926 -4.510 1.00 0.00 N ATOM 0 H ARG A 56 18.293 -2.059 0.846 1.00 0.00 H new ATOM 0 HA ARG A 56 17.706 -1.391 -1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 56 17.266 -3.860 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.782 -3.788 -1.833 1.00 0.00 H new ATOM 0 HG2 ARG A 56 19.129 -3.277 -2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 56 19.610 -3.360 -0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 56 20.095 -5.469 -2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.987 -5.717 -0.672 1.00 0.00 H new ATOM 0 HE ARG A 56 17.139 -5.896 -2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.396 -5.864 -3.659 1.00 0.00 H new ATOM 0 HH12 ARG A 56 19.896 -6.689 -5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.519 -6.970 -4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 56 17.710 -7.313 -5.425 1.00 0.00 H new ATOM 922 N ASP A 57 15.184 -1.547 0.248 1.00 0.00 N ATOM 923 CA ASP A 57 13.793 -1.122 0.423 1.00 0.00 C ATOM 924 C ASP A 57 13.614 0.307 -0.070 1.00 0.00 C ATOM 925 O ASP A 57 12.660 0.616 -0.782 1.00 0.00 O ATOM 926 CB ASP A 57 13.355 -1.198 1.892 1.00 0.00 C ATOM 927 CG ASP A 57 13.076 -2.610 2.369 1.00 0.00 C ATOM 928 OD1 ASP A 57 11.969 -3.126 2.092 1.00 0.00 O ATOM 929 OD2 ASP A 57 13.943 -3.194 3.043 1.00 0.00 O ATOM 0 H ASP A 57 15.650 -1.827 1.111 1.00 0.00 H new ATOM 0 HA ASP A 57 13.172 -1.802 -0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.132 -0.759 2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.458 -0.594 2.027 1.00 0.00 H new ATOM 934 N THR A 58 14.547 1.172 0.315 1.00 0.00 N ATOM 935 CA THR A 58 14.516 2.571 -0.091 1.00 0.00 C ATOM 936 C THR A 58 14.731 2.710 -1.602 1.00 0.00 C ATOM 937 O THR A 58 14.271 3.673 -2.225 1.00 0.00 O ATOM 938 CB THR A 58 15.598 3.372 0.660 1.00 0.00 C ATOM 939 OG1 THR A 58 15.538 3.064 2.059 1.00 0.00 O ATOM 940 CG2 THR A 58 15.414 4.870 0.460 1.00 0.00 C ATOM 0 H THR A 58 15.337 0.926 0.911 1.00 0.00 H new ATOM 0 HA THR A 58 13.533 2.969 0.160 1.00 0.00 H new ATOM 0 HB THR A 58 16.571 3.091 0.258 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.227 3.572 2.536 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.192 5.408 1.002 1.00 0.00 H new ATOM 0 HG22 THR A 58 15.482 5.106 -0.602 1.00 0.00 H new ATOM 0 HG23 THR A 58 14.436 5.170 0.837 1.00 0.00 H new ATOM 948 N GLY A 59 15.429 1.741 -2.186 1.00 0.00 N ATOM 949 CA GLY A 59 15.679 1.757 -3.616 1.00 0.00 C ATOM 950 C GLY A 59 14.419 1.515 -4.420 1.00 0.00 C ATOM 951 O GLY A 59 14.088 2.286 -5.324 1.00 0.00 O ATOM 0 H GLY A 59 15.827 0.942 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.108 2.719 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.417 0.994 -3.863 1.00 0.00 H new ATOM 955 N GLY A 60 13.715 0.443 -4.085 1.00 0.00 N ATOM 956 CA GLY A 60 12.482 0.121 -4.774 1.00 0.00 C ATOM 957 C GLY A 60 12.729 -0.646 -6.057 1.00 0.00 C ATOM 958 O GLY A 60 12.768 -1.875 -6.052 1.00 0.00 O ATOM 0 H GLY A 60 13.976 -0.211 -3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.844 -0.469 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.943 1.041 -5.000 1.00 0.00 H new ATOM 962 N ASP A 61 12.916 0.081 -7.151 1.00 0.00 N ATOM 963 CA ASP A 61 13.146 -0.527 -8.456 1.00 0.00 C ATOM 964 C ASP A 61 13.663 0.543 -9.419 1.00 0.00 C ATOM 965 O ASP A 61 14.033 1.637 -8.990 1.00 0.00 O ATOM 966 CB ASP A 61 11.849 -1.161 -8.993 1.00 0.00 C ATOM 967 CG ASP A 61 12.107 -2.294 -9.970 1.00 0.00 C ATOM 968 OD1 ASP A 61 12.398 -2.017 -11.149 1.00 0.00 O ATOM 969 OD2 ASP A 61 12.026 -3.470 -9.556 1.00 0.00 O ATOM 0 H ASP A 61 12.913 1.101 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 61 13.889 -1.319 -8.363 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.260 -1.536 -8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.251 -0.393 -9.484 1.00 0.00 H new ATOM 974 N ASP A 62 13.687 0.233 -10.707 1.00 0.00 N ATOM 975 CA ASP A 62 14.140 1.180 -11.724 1.00 0.00 C ATOM 976 C ASP A 62 12.956 1.789 -12.459 1.00 0.00 C ATOM 977 O ASP A 62 13.116 2.402 -13.514 1.00 0.00 O ATOM 978 CB ASP A 62 15.071 0.504 -12.736 1.00 0.00 C ATOM 979 CG ASP A 62 16.495 0.370 -12.237 1.00 0.00 C ATOM 980 OD1 ASP A 62 17.227 1.383 -12.242 1.00 0.00 O ATOM 981 OD2 ASP A 62 16.900 -0.750 -11.860 1.00 0.00 O ATOM 0 H ASP A 62 13.397 -0.672 -11.077 1.00 0.00 H new ATOM 0 HA ASP A 62 14.691 1.969 -11.211 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.681 -0.486 -12.974 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.070 1.079 -13.662 1.00 0.00 H new ATOM 986 N GLY A 63 11.768 1.638 -11.884 1.00 0.00 N ATOM 987 CA GLY A 63 10.560 2.126 -12.524 1.00 0.00 C ATOM 988 C GLY A 63 10.303 3.596 -12.251 1.00 0.00 C ATOM 989 O GLY A 63 9.155 4.017 -12.095 1.00 0.00 O ATOM 0 H GLY A 63 11.620 1.185 -10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.635 1.969 -13.600 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.708 1.542 -12.175 1.00 0.00 H new ATOM 993 N GLY A 64 11.369 4.380 -12.205 1.00 0.00 N ATOM 994 CA GLY A 64 11.235 5.802 -11.967 1.00 0.00 C ATOM 995 C GLY A 64 11.175 6.581 -13.263 1.00 0.00 C ATOM 996 O GLY A 64 12.160 7.198 -13.672 1.00 0.00 O ATOM 0 H GLY A 64 12.328 4.056 -12.329 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.332 5.991 -11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.077 6.152 -11.370 1.00 0.00 H new ATOM 1000 N LEU A 65 10.027 6.536 -13.924 1.00 0.00 N ATOM 1001 CA LEU A 65 9.843 7.243 -15.184 1.00 0.00 C ATOM 1002 C LEU A 65 9.805 8.746 -14.950 1.00 0.00 C ATOM 1003 O LEU A 65 8.847 9.276 -14.386 1.00 0.00 O ATOM 1004 CB LEU A 65 8.557 6.793 -15.894 1.00 0.00 C ATOM 1005 CG LEU A 65 8.621 5.428 -16.593 1.00 0.00 C ATOM 1006 CD1 LEU A 65 8.733 4.291 -15.586 1.00 0.00 C ATOM 1007 CD2 LEU A 65 7.398 5.236 -17.481 1.00 0.00 C ATOM 0 H LEU A 65 9.208 6.017 -13.608 1.00 0.00 H new ATOM 0 HA LEU A 65 10.691 7.002 -15.825 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.750 6.767 -15.161 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.291 7.547 -16.635 1.00 0.00 H new ATOM 0 HG LEU A 65 9.517 5.409 -17.213 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.776 3.339 -16.115 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.639 4.418 -14.993 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.864 4.301 -14.928 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.454 4.264 -17.972 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.495 5.284 -16.872 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.369 6.022 -18.235 1.00 0.00 H new ATOM 1019 N THR A 66 10.858 9.422 -15.383 1.00 0.00 N ATOM 1020 CA THR A 66 10.958 10.861 -15.226 1.00 0.00 C ATOM 1021 C THR A 66 10.499 11.566 -16.499 1.00 0.00 C ATOM 1022 O THR A 66 10.558 12.793 -16.602 1.00 0.00 O ATOM 1023 CB THR A 66 12.401 11.296 -14.872 1.00 0.00 C ATOM 1024 OG1 THR A 66 12.456 12.714 -14.674 1.00 0.00 O ATOM 1025 CG2 THR A 66 13.387 10.897 -15.964 1.00 0.00 C ATOM 0 H THR A 66 11.658 8.993 -15.848 1.00 0.00 H new ATOM 0 HA THR A 66 10.307 11.149 -14.400 1.00 0.00 H new ATOM 0 HB THR A 66 12.683 10.786 -13.951 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.778 13.149 -15.232 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.390 11.218 -15.683 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.374 9.814 -16.088 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.103 11.374 -16.902 1.00 0.00 H new ATOM 1033 N THR A 67 10.042 10.779 -17.466 1.00 0.00 N ATOM 1034 CA THR A 67 9.512 11.318 -18.705 1.00 0.00 C ATOM 1035 C THR A 67 8.258 12.139 -18.419 1.00 0.00 C ATOM 1036 O THR A 67 7.401 11.711 -17.640 1.00 0.00 O ATOM 1037 CB THR A 67 9.178 10.181 -19.693 1.00 0.00 C ATOM 1038 OG1 THR A 67 10.301 9.295 -19.801 1.00 0.00 O ATOM 1039 CG2 THR A 67 8.831 10.728 -21.072 1.00 0.00 C ATOM 0 H THR A 67 10.030 9.761 -17.412 1.00 0.00 H new ATOM 0 HA THR A 67 10.269 11.959 -19.156 1.00 0.00 H new ATOM 0 HB THR A 67 8.310 9.643 -19.311 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.088 8.572 -20.427 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.601 9.901 -21.744 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.965 11.385 -20.995 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.679 11.289 -21.465 1.00 0.00 H new ATOM 1047 N ALA A 68 8.170 13.318 -19.030 1.00 0.00 N ATOM 1048 CA ALA A 68 7.039 14.219 -18.828 1.00 0.00 C ATOM 1049 C ALA A 68 5.761 13.668 -19.460 1.00 0.00 C ATOM 1050 O ALA A 68 5.235 14.222 -20.427 1.00 0.00 O ATOM 1051 CB ALA A 68 7.360 15.602 -19.381 1.00 0.00 C ATOM 0 H ALA A 68 8.876 13.674 -19.675 1.00 0.00 H new ATOM 0 HA ALA A 68 6.864 14.301 -17.755 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.508 16.263 -19.224 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.233 16.006 -18.867 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.569 15.528 -20.448 1.00 0.00 H new ATOM 1057 N GLU A 69 5.283 12.563 -18.916 1.00 0.00 N ATOM 1058 CA GLU A 69 4.050 11.948 -19.366 1.00 0.00 C ATOM 1059 C GLU A 69 2.972 12.187 -18.319 1.00 0.00 C ATOM 1060 O GLU A 69 1.920 12.753 -18.616 1.00 0.00 O ATOM 1061 CB GLU A 69 4.282 10.447 -19.610 1.00 0.00 C ATOM 1062 CG GLU A 69 3.155 9.735 -20.351 1.00 0.00 C ATOM 1063 CD GLU A 69 1.949 9.467 -19.477 1.00 0.00 C ATOM 1064 OE1 GLU A 69 2.111 8.814 -18.427 1.00 0.00 O ATOM 1065 OE2 GLU A 69 0.832 9.897 -19.837 1.00 0.00 O ATOM 0 H GLU A 69 5.740 12.068 -18.150 1.00 0.00 H new ATOM 0 HA GLU A 69 3.722 12.390 -20.307 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.205 10.324 -20.177 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.432 9.956 -18.648 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.850 10.340 -21.205 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.528 8.790 -20.746 1.00 0.00 H new ATOM 1072 N ARG A 70 3.263 11.793 -17.081 1.00 0.00 N ATOM 1073 CA ARG A 70 2.340 12.003 -15.967 1.00 0.00 C ATOM 1074 C ARG A 70 2.167 13.493 -15.681 1.00 0.00 C ATOM 1075 O ARG A 70 1.181 13.909 -15.075 1.00 0.00 O ATOM 1076 CB ARG A 70 2.837 11.286 -14.705 1.00 0.00 C ATOM 1077 CG ARG A 70 2.828 9.765 -14.797 1.00 0.00 C ATOM 1078 CD ARG A 70 1.415 9.196 -14.885 1.00 0.00 C ATOM 1079 NE ARG A 70 0.830 9.350 -16.215 1.00 0.00 N ATOM 1080 CZ ARG A 70 -0.461 9.583 -16.448 1.00 0.00 C ATOM 1081 NH1 ARG A 70 -1.322 9.679 -15.441 1.00 0.00 N ATOM 1082 NH2 ARG A 70 -0.891 9.705 -17.698 1.00 0.00 N ATOM 0 H ARG A 70 4.132 11.326 -16.823 1.00 0.00 H new ATOM 0 HA ARG A 70 1.374 11.585 -16.251 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.853 11.618 -14.490 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.217 11.590 -13.862 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.397 9.453 -15.673 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.331 9.348 -13.925 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.436 8.139 -14.621 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.780 9.695 -14.153 1.00 0.00 H new ATOM 0 HE ARG A 70 1.452 9.274 -17.020 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.997 9.574 -14.480 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.309 9.858 -15.629 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.234 9.620 -18.474 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.878 9.883 -17.883 1.00 0.00 H new ATOM 1096 N GLN A 71 3.139 14.287 -16.117 1.00 0.00 N ATOM 1097 CA GLN A 71 3.073 15.737 -15.981 1.00 0.00 C ATOM 1098 C GLN A 71 1.948 16.287 -16.850 1.00 0.00 C ATOM 1099 O GLN A 71 2.116 16.472 -18.055 1.00 0.00 O ATOM 1100 CB GLN A 71 4.405 16.385 -16.390 1.00 0.00 C ATOM 1101 CG GLN A 71 5.546 16.218 -15.391 1.00 0.00 C ATOM 1102 CD GLN A 71 5.803 14.775 -14.999 1.00 0.00 C ATOM 1103 OE1 GLN A 71 6.505 14.046 -15.694 1.00 0.00 O ATOM 1104 NE2 GLN A 71 5.261 14.365 -13.864 1.00 0.00 N ATOM 0 H GLN A 71 3.987 13.948 -16.571 1.00 0.00 H new ATOM 0 HA GLN A 71 2.877 15.976 -14.936 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.717 15.964 -17.346 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.238 17.450 -16.550 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.457 16.637 -15.819 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.320 16.795 -14.494 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.684 15.002 -13.315 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.421 13.412 -13.538 1.00 0.00 H new ATOM 1113 N ARG A 72 0.794 16.519 -16.246 1.00 0.00 N ATOM 1114 CA ARG A 72 -0.367 16.982 -16.989 1.00 0.00 C ATOM 1115 C ARG A 72 -0.418 18.501 -17.041 1.00 0.00 C ATOM 1116 O ARG A 72 -0.218 19.177 -16.031 1.00 0.00 O ATOM 1117 CB ARG A 72 -1.653 16.432 -16.372 1.00 0.00 C ATOM 1118 CG ARG A 72 -1.763 14.919 -16.462 1.00 0.00 C ATOM 1119 CD ARG A 72 -3.095 14.420 -15.926 1.00 0.00 C ATOM 1120 NE ARG A 72 -3.253 14.677 -14.494 1.00 0.00 N ATOM 1121 CZ ARG A 72 -3.816 13.820 -13.646 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -4.262 12.646 -14.081 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -3.931 14.139 -12.361 1.00 0.00 N ATOM 0 H ARG A 72 0.636 16.395 -15.246 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.279 16.610 -18.010 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.703 16.731 -15.325 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.510 16.882 -16.873 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.648 14.607 -17.500 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.950 14.461 -15.900 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.906 14.903 -16.471 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.180 13.349 -16.112 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.912 15.564 -14.125 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.173 12.400 -15.067 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.693 11.991 -13.429 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.588 15.039 -12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.362 13.483 -11.709 1.00 0.00 H new ATOM 1137 N LEU A 73 -0.660 19.030 -18.230 1.00 0.00 N ATOM 1138 CA LEU A 73 -0.840 20.462 -18.406 1.00 0.00 C ATOM 1139 C LEU A 73 -2.280 20.829 -18.081 1.00 0.00 C ATOM 1140 O LEU A 73 -3.165 19.972 -18.144 1.00 0.00 O ATOM 1141 CB LEU A 73 -0.489 20.904 -19.838 1.00 0.00 C ATOM 1142 CG LEU A 73 -1.439 20.427 -20.948 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -1.187 21.206 -22.228 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -1.273 18.937 -21.211 1.00 0.00 C ATOM 0 H LEU A 73 -0.736 18.487 -19.090 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.163 20.982 -17.728 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.454 21.993 -19.861 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.515 20.548 -20.070 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.461 20.605 -20.613 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.867 20.858 -23.006 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.356 22.268 -22.047 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.157 21.052 -22.551 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.958 18.628 -22.001 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.248 18.734 -21.520 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.495 18.380 -20.301 1.00 0.00 H new ATOM 1156 N LYS A 74 -2.506 22.091 -17.717 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.834 22.561 -17.320 1.00 0.00 C ATOM 1158 C LYS A 74 -4.279 21.867 -16.035 1.00 0.00 C ATOM 1159 O LYS A 74 -5.468 21.636 -15.815 1.00 0.00 O ATOM 1160 CB LYS A 74 -4.860 22.328 -18.439 1.00 0.00 C ATOM 1161 CG LYS A 74 -4.637 23.197 -19.666 1.00 0.00 C ATOM 1162 CD LYS A 74 -5.624 22.867 -20.775 1.00 0.00 C ATOM 1163 CE LYS A 74 -5.552 23.890 -21.899 1.00 0.00 C ATOM 1164 NZ LYS A 74 -6.469 23.556 -23.020 1.00 0.00 N ATOM 0 H LYS A 74 -1.783 22.810 -17.689 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.774 23.634 -17.137 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.827 21.280 -18.737 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.860 22.517 -18.048 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.736 24.247 -19.391 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.619 23.057 -20.031 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.412 21.873 -21.170 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.635 22.840 -20.369 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.803 24.876 -21.508 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.529 23.946 -22.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.387 24.279 -23.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.214 22.627 -23.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.448 23.528 -22.671 1.00 0.00 H new ATOM 1178 N GLU A 75 -3.310 21.547 -15.186 1.00 0.00 N ATOM 1179 CA GLU A 75 -3.586 20.901 -13.913 1.00 0.00 C ATOM 1180 C GLU A 75 -4.069 21.942 -12.905 1.00 0.00 C ATOM 1181 O GLU A 75 -3.342 22.883 -12.587 1.00 0.00 O ATOM 1182 CB GLU A 75 -2.324 20.205 -13.392 1.00 0.00 C ATOM 1183 CG GLU A 75 -2.593 19.177 -12.305 1.00 0.00 C ATOM 1184 CD GLU A 75 -3.309 17.948 -12.833 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -4.522 18.034 -13.107 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -2.657 16.891 -12.977 1.00 0.00 O ATOM 0 H GLU A 75 -2.321 21.727 -15.360 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.365 20.151 -14.052 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.821 19.715 -14.225 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.639 20.959 -13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.648 18.877 -11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.193 19.633 -11.518 1.00 0.00 H new ATOM 1193 N PRO A 76 -5.306 21.793 -12.396 1.00 0.00 N ATOM 1194 CA PRO A 76 -5.905 22.754 -11.465 1.00 0.00 C ATOM 1195 C PRO A 76 -5.349 22.635 -10.049 1.00 0.00 C ATOM 1196 O PRO A 76 -5.777 23.353 -9.143 1.00 0.00 O ATOM 1197 CB PRO A 76 -7.389 22.389 -11.491 1.00 0.00 C ATOM 1198 CG PRO A 76 -7.414 20.934 -11.812 1.00 0.00 C ATOM 1199 CD PRO A 76 -6.228 20.680 -12.703 1.00 0.00 C ATOM 0 HA PRO A 76 -5.696 23.783 -11.757 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -7.864 22.591 -10.531 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.927 22.969 -12.241 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.354 20.334 -10.904 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -8.343 20.662 -12.313 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.771 19.713 -12.493 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.513 20.676 -13.755 1.00 0.00 H new ATOM 1207 N GLU A 77 -4.401 21.727 -9.859 1.00 0.00 N ATOM 1208 CA GLU A 77 -3.771 21.556 -8.561 1.00 0.00 C ATOM 1209 C GLU A 77 -2.633 22.564 -8.411 1.00 0.00 C ATOM 1210 O GLU A 77 -1.498 22.309 -8.815 1.00 0.00 O ATOM 1211 CB GLU A 77 -3.246 20.125 -8.398 1.00 0.00 C ATOM 1212 CG GLU A 77 -3.327 19.590 -6.973 1.00 0.00 C ATOM 1213 CD GLU A 77 -2.651 20.489 -5.956 1.00 0.00 C ATOM 1214 OE1 GLU A 77 -3.322 21.403 -5.436 1.00 0.00 O ATOM 1215 OE2 GLU A 77 -1.447 20.279 -5.672 1.00 0.00 O ATOM 0 H GLU A 77 -4.054 21.101 -10.585 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.511 21.733 -7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.812 19.465 -9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.208 20.090 -8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.374 19.465 -6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.868 18.602 -6.936 1.00 0.00 H new ATOM 1222 N ARG A 78 -2.961 23.720 -7.861 1.00 0.00 N ATOM 1223 CA ARG A 78 -1.987 24.787 -7.669 1.00 0.00 C ATOM 1224 C ARG A 78 -1.175 24.539 -6.403 1.00 0.00 C ATOM 1225 O ARG A 78 0.055 24.494 -6.438 1.00 0.00 O ATOM 1226 CB ARG A 78 -2.715 26.131 -7.587 1.00 0.00 C ATOM 1227 CG ARG A 78 -1.807 27.338 -7.394 1.00 0.00 C ATOM 1228 CD ARG A 78 -2.629 28.613 -7.326 1.00 0.00 C ATOM 1229 NE ARG A 78 -1.818 29.800 -7.056 1.00 0.00 N ATOM 1230 CZ ARG A 78 -2.113 30.690 -6.108 1.00 0.00 C ATOM 1231 NH1 ARG A 78 -3.126 30.465 -5.272 1.00 0.00 N ATOM 1232 NH2 ARG A 78 -1.381 31.790 -5.980 1.00 0.00 N ATOM 0 H ARG A 78 -3.901 23.947 -7.536 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.300 24.806 -8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.293 26.271 -8.500 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.426 26.093 -6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.227 27.222 -6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.095 27.400 -8.217 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.159 28.748 -8.269 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.385 28.511 -6.547 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.984 29.955 -7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.677 29.611 -5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.350 31.147 -4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.593 31.954 -6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.606 32.471 -5.255 1.00 0.00 H new ATOM 1246 N GLU A 79 -1.875 24.369 -5.292 1.00 0.00 N ATOM 1247 CA GLU A 79 -1.242 24.085 -4.013 1.00 0.00 C ATOM 1248 C GLU A 79 -2.240 23.409 -3.081 1.00 0.00 C ATOM 1249 O GLU A 79 -3.152 24.060 -2.556 1.00 0.00 O ATOM 1250 CB GLU A 79 -0.707 25.371 -3.371 1.00 0.00 C ATOM 1251 CG GLU A 79 0.024 25.144 -2.054 1.00 0.00 C ATOM 1252 CD GLU A 79 0.621 26.419 -1.496 1.00 0.00 C ATOM 1253 OE1 GLU A 79 1.720 26.811 -1.942 1.00 0.00 O ATOM 1254 OE2 GLU A 79 -0.001 27.039 -0.609 1.00 0.00 O ATOM 0 H GLU A 79 -2.893 24.424 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.400 23.415 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.031 25.861 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.539 26.054 -3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.668 24.722 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.816 24.410 -2.203 1.00 0.00 H new ATOM 1261 N ASN A 80 -2.087 22.104 -2.904 1.00 0.00 N ATOM 1262 CA ASN A 80 -2.960 21.351 -2.016 1.00 0.00 C ATOM 1263 C ASN A 80 -2.735 21.772 -0.572 1.00 0.00 C ATOM 1264 O ASN A 80 -1.630 21.660 -0.040 1.00 0.00 O ATOM 1265 CB ASN A 80 -2.750 19.838 -2.188 1.00 0.00 C ATOM 1266 CG ASN A 80 -1.305 19.394 -2.036 1.00 0.00 C ATOM 1267 OD1 ASN A 80 -0.845 19.087 -0.935 1.00 0.00 O ATOM 1268 ND2 ASN A 80 -0.586 19.337 -3.148 1.00 0.00 N ATOM 0 H ASN A 80 -1.367 21.546 -3.363 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.994 21.573 -2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.360 19.311 -1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.109 19.541 -3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.386 19.030 -3.112 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.005 19.600 -4.040 1.00 0.00 H new ATOM 1275 N ARG A 81 -3.781 22.277 0.060 1.00 0.00 N ATOM 1276 CA ARG A 81 -3.651 22.827 1.397 1.00 0.00 C ATOM 1277 C ARG A 81 -3.990 21.779 2.454 1.00 0.00 C ATOM 1278 O ARG A 81 -3.145 20.963 2.821 1.00 0.00 O ATOM 1279 CB ARG A 81 -4.545 24.059 1.548 1.00 0.00 C ATOM 1280 CG ARG A 81 -4.172 24.952 2.718 1.00 0.00 C ATOM 1281 CD ARG A 81 -5.049 26.188 2.757 1.00 0.00 C ATOM 1282 NE ARG A 81 -5.062 26.890 1.471 1.00 0.00 N ATOM 1283 CZ ARG A 81 -5.828 27.946 1.203 1.00 0.00 C ATOM 1284 NH1 ARG A 81 -6.637 28.439 2.131 1.00 0.00 N ATOM 1285 NH2 ARG A 81 -5.783 28.507 0.001 1.00 0.00 N ATOM 0 H ARG A 81 -4.723 22.317 -0.329 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.614 23.128 1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.499 24.643 0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.578 23.733 1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.276 24.398 3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.126 25.246 2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.066 25.903 3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.691 26.862 3.535 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.445 26.548 0.734 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.675 28.009 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.222 29.248 1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.163 28.129 -0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.369 29.316 -0.207 1.00 0.00 H new ATOM 1299 N GLU A 82 -5.240 21.771 2.906 1.00 0.00 N ATOM 1300 CA GLU A 82 -5.649 20.895 3.998 1.00 0.00 C ATOM 1301 C GLU A 82 -6.205 19.581 3.471 1.00 0.00 C ATOM 1302 O GLU A 82 -5.631 18.516 3.696 1.00 0.00 O ATOM 1303 CB GLU A 82 -6.702 21.592 4.865 1.00 0.00 C ATOM 1304 CG GLU A 82 -6.218 22.892 5.487 1.00 0.00 C ATOM 1305 CD GLU A 82 -5.084 22.681 6.467 1.00 0.00 C ATOM 1306 OE1 GLU A 82 -3.915 22.644 6.035 1.00 0.00 O ATOM 1307 OE2 GLU A 82 -5.357 22.564 7.678 1.00 0.00 O ATOM 0 H GLU A 82 -5.985 22.360 2.534 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.768 20.676 4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.583 21.796 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.013 20.913 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.890 23.568 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.049 23.378 5.998 1.00 0.00 H new ATOM 1314 N LEU A 83 -7.316 19.668 2.744 1.00 0.00 N ATOM 1315 CA LEU A 83 -8.007 18.482 2.244 1.00 0.00 C ATOM 1316 C LEU A 83 -7.236 17.837 1.097 1.00 0.00 C ATOM 1317 O LEU A 83 -7.626 16.780 0.604 1.00 0.00 O ATOM 1318 CB LEU A 83 -9.425 18.832 1.770 1.00 0.00 C ATOM 1319 CG LEU A 83 -10.456 19.134 2.867 1.00 0.00 C ATOM 1320 CD1 LEU A 83 -10.480 18.022 3.905 1.00 0.00 C ATOM 1321 CD2 LEU A 83 -10.189 20.481 3.524 1.00 0.00 C ATOM 0 H LEU A 83 -7.758 20.550 2.487 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.070 17.773 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.361 19.699 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.799 18.003 1.169 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.437 19.184 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.217 18.257 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.744 17.081 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.495 17.931 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.937 20.664 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.196 20.476 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.242 21.269 2.773 1.00 0.00 H new ATOM 1333 N ARG A 84 -6.164 18.505 0.666 1.00 0.00 N ATOM 1334 CA ARG A 84 -5.301 18.042 -0.431 1.00 0.00 C ATOM 1335 C ARG A 84 -5.991 18.211 -1.785 1.00 0.00 C ATOM 1336 O ARG A 84 -5.345 18.474 -2.797 1.00 0.00 O ATOM 1337 CB ARG A 84 -4.854 16.597 -0.209 1.00 0.00 C ATOM 1338 CG ARG A 84 -3.553 16.251 -0.912 1.00 0.00 C ATOM 1339 CD ARG A 84 -2.783 15.200 -0.135 1.00 0.00 C ATOM 1340 NE ARG A 84 -2.554 15.614 1.252 1.00 0.00 N ATOM 1341 CZ ARG A 84 -2.291 14.767 2.243 1.00 0.00 C ATOM 1342 NH1 ARG A 84 -2.129 13.475 1.986 1.00 0.00 N ATOM 1343 NH2 ARG A 84 -2.173 15.212 3.490 1.00 0.00 N ATOM 0 H ARG A 84 -5.865 19.392 1.071 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.407 18.665 -0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.738 16.421 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.637 15.925 -0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.764 15.885 -1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.944 17.148 -1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.335 14.260 -0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.826 15.015 -0.623 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.599 16.609 1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.206 13.132 1.029 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.927 12.825 2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.284 16.206 3.689 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.971 14.559 4.247 1.00 0.00 H new ATOM 1357 N ARG A 85 -7.300 18.051 -1.802 1.00 0.00 N ATOM 1358 CA ARG A 85 -8.095 18.482 -2.933 1.00 0.00 C ATOM 1359 C ARG A 85 -8.758 19.798 -2.554 1.00 0.00 C ATOM 1360 O ARG A 85 -9.869 19.818 -2.025 1.00 0.00 O ATOM 1361 CB ARG A 85 -9.152 17.438 -3.309 1.00 0.00 C ATOM 1362 CG ARG A 85 -9.797 17.700 -4.662 1.00 0.00 C ATOM 1363 CD ARG A 85 -11.017 16.824 -4.879 1.00 0.00 C ATOM 1364 NE ARG A 85 -10.727 15.403 -4.693 1.00 0.00 N ATOM 1365 CZ ARG A 85 -11.598 14.430 -4.954 1.00 0.00 C ATOM 1366 NH1 ARG A 85 -12.791 14.723 -5.462 1.00 0.00 N ATOM 1367 NH2 ARG A 85 -11.269 13.168 -4.708 1.00 0.00 N ATOM 0 H ARG A 85 -7.835 17.625 -1.045 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.454 18.609 -3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.691 16.450 -3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.926 17.421 -2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.085 18.749 -4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.071 17.516 -5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -11.804 17.124 -4.187 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -11.401 16.984 -5.887 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.805 15.142 -4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -13.040 15.694 -5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -13.457 13.977 -5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.352 12.946 -4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.933 12.420 -4.906 1.00 0.00 H new ATOM 1381 N SER A 86 -8.044 20.890 -2.767 1.00 0.00 N ATOM 1382 CA SER A 86 -8.473 22.190 -2.287 1.00 0.00 C ATOM 1383 C SER A 86 -8.845 23.107 -3.449 1.00 0.00 C ATOM 1384 O SER A 86 -8.991 22.642 -4.585 1.00 0.00 O ATOM 1385 CB SER A 86 -7.351 22.805 -1.443 1.00 0.00 C ATOM 1386 OG SER A 86 -6.912 21.885 -0.451 1.00 0.00 O ATOM 0 H SER A 86 -7.158 20.900 -3.273 1.00 0.00 H new ATOM 0 HA SER A 86 -9.364 22.070 -1.671 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.515 23.082 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.705 23.720 -0.968 1.00 0.00 H new ATOM 0 HG SER A 86 -6.741 22.364 0.387 1.00 0.00 H new ATOM 1392 N ASN A 87 -9.017 24.395 -3.132 1.00 0.00 N ATOM 1393 CA ASN A 87 -9.396 25.446 -4.089 1.00 0.00 C ATOM 1394 C ASN A 87 -10.606 25.064 -4.950 1.00 0.00 C ATOM 1395 O ASN A 87 -11.238 24.020 -4.752 1.00 0.00 O ATOM 1396 CB ASN A 87 -8.205 25.886 -4.976 1.00 0.00 C ATOM 1397 CG ASN A 87 -7.672 24.817 -5.922 1.00 0.00 C ATOM 1398 OD1 ASN A 87 -6.763 24.059 -5.571 1.00 0.00 O ATOM 1399 ND2 ASN A 87 -8.207 24.762 -7.133 1.00 0.00 N ATOM 0 H ASN A 87 -8.894 24.746 -2.182 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.695 26.300 -3.481 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.511 26.750 -5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.392 26.214 -4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.869 24.077 -7.809 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.957 25.404 -7.389 1.00 0.00 H new ATOM 1406 N ASP A 88 -10.963 25.950 -5.869 1.00 0.00 N ATOM 1407 CA ASP A 88 -12.035 25.686 -6.819 1.00 0.00 C ATOM 1408 C ASP A 88 -11.570 26.037 -8.219 1.00 0.00 C ATOM 1409 O ASP A 88 -10.488 26.603 -8.395 1.00 0.00 O ATOM 1410 CB ASP A 88 -13.298 26.491 -6.481 1.00 0.00 C ATOM 1411 CG ASP A 88 -14.062 25.932 -5.299 1.00 0.00 C ATOM 1412 OD1 ASP A 88 -14.780 24.923 -5.471 1.00 0.00 O ATOM 1413 OD2 ASP A 88 -13.969 26.512 -4.199 1.00 0.00 O ATOM 0 H ASP A 88 -10.523 26.864 -5.977 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.284 24.626 -6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.018 27.523 -6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.953 26.511 -7.352 1.00 0.00 H new ATOM 1418 N ILE A 89 -12.374 25.693 -9.209 1.00 0.00 N ATOM 1419 CA ILE A 89 -12.081 26.063 -10.582 1.00 0.00 C ATOM 1420 C ILE A 89 -12.487 27.516 -10.814 1.00 0.00 C ATOM 1421 O ILE A 89 -13.574 27.804 -11.323 1.00 0.00 O ATOM 1422 CB ILE A 89 -12.807 25.150 -11.597 1.00 0.00 C ATOM 1423 CG1 ILE A 89 -12.548 23.674 -11.271 1.00 0.00 C ATOM 1424 CG2 ILE A 89 -12.359 25.466 -13.020 1.00 0.00 C ATOM 1425 CD1 ILE A 89 -11.085 23.285 -11.314 1.00 0.00 C ATOM 0 H ILE A 89 -13.234 25.158 -9.088 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.009 25.941 -10.739 1.00 0.00 H new ATOM 0 HB ILE A 89 -13.878 25.339 -11.523 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.943 23.456 -10.279 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -13.100 23.054 -11.977 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.881 24.813 -13.719 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.591 26.506 -13.252 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.284 25.306 -13.107 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.983 22.227 -11.073 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.689 23.469 -12.313 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.529 23.878 -10.588 1.00 0.00 H new ATOM 1437 N LEU A 90 -11.629 28.428 -10.382 1.00 0.00 N ATOM 1438 CA LEU A 90 -11.914 29.852 -10.482 1.00 0.00 C ATOM 1439 C LEU A 90 -10.765 30.597 -11.151 1.00 0.00 C ATOM 1440 O LEU A 90 -9.795 30.986 -10.496 1.00 0.00 O ATOM 1441 CB LEU A 90 -12.190 30.448 -9.096 1.00 0.00 C ATOM 1442 CG LEU A 90 -13.435 29.909 -8.387 1.00 0.00 C ATOM 1443 CD1 LEU A 90 -13.535 30.475 -6.978 1.00 0.00 C ATOM 1444 CD2 LEU A 90 -14.689 30.241 -9.183 1.00 0.00 C ATOM 0 H LEU A 90 -10.728 28.207 -9.958 1.00 0.00 H new ATOM 0 HA LEU A 90 -12.805 29.969 -11.099 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -11.323 30.265 -8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -12.289 31.529 -9.197 1.00 0.00 H new ATOM 0 HG LEU A 90 -13.347 28.825 -8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -14.426 30.081 -6.490 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -12.652 30.188 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -13.599 31.562 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -15.564 29.850 -8.664 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -14.780 31.322 -9.284 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -14.622 29.789 -10.172 1.00 0.00 H new ATOM 1456 N ARG A 91 -10.877 30.760 -12.463 1.00 0.00 N ATOM 1457 CA ARG A 91 -9.920 31.543 -13.236 1.00 0.00 C ATOM 1458 C ARG A 91 -10.659 32.399 -14.256 1.00 0.00 C ATOM 1459 O ARG A 91 -10.121 32.752 -15.304 1.00 0.00 O ATOM 1460 CB ARG A 91 -8.901 30.640 -13.940 1.00 0.00 C ATOM 1461 CG ARG A 91 -9.512 29.470 -14.697 1.00 0.00 C ATOM 1462 CD ARG A 91 -8.487 28.806 -15.607 1.00 0.00 C ATOM 1463 NE ARG A 91 -7.234 28.507 -14.914 1.00 0.00 N ATOM 1464 CZ ARG A 91 -6.044 28.488 -15.511 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -5.949 28.745 -16.811 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -4.951 28.211 -14.810 1.00 0.00 N ATOM 0 H ARG A 91 -11.630 30.355 -13.020 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.374 32.190 -12.549 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.320 31.244 -14.637 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.204 30.252 -13.197 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.901 28.739 -13.989 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.357 29.819 -15.291 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.906 27.883 -16.008 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.282 29.459 -16.456 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.274 28.301 -13.916 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.788 28.957 -17.352 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.037 28.730 -17.268 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.022 28.012 -13.812 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.040 28.197 -15.269 1.00 0.00 H new ATOM 1480 N LEU A 92 -11.898 32.737 -13.931 1.00 0.00 N ATOM 1481 CA LEU A 92 -12.738 33.521 -14.822 1.00 0.00 C ATOM 1482 C LEU A 92 -12.342 34.992 -14.780 1.00 0.00 C ATOM 1483 O LEU A 92 -12.721 35.723 -13.864 1.00 0.00 O ATOM 1484 CB LEU A 92 -14.223 33.374 -14.459 1.00 0.00 C ATOM 1485 CG LEU A 92 -14.869 32.017 -14.776 1.00 0.00 C ATOM 1486 CD1 LEU A 92 -14.391 30.933 -13.819 1.00 0.00 C ATOM 1487 CD2 LEU A 92 -16.383 32.146 -14.733 1.00 0.00 C ATOM 0 H LEU A 92 -12.345 32.478 -13.051 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.589 33.140 -15.832 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.335 33.566 -13.392 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.782 34.150 -14.982 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.565 31.719 -15.779 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -14.869 29.987 -14.073 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.309 30.827 -13.901 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -14.652 31.208 -12.797 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -16.837 31.181 -14.958 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -16.693 32.469 -13.739 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -16.707 32.880 -15.471 1.00 0.00 H new ATOM 1499 N ALA A 93 -11.556 35.411 -15.760 1.00 0.00 N ATOM 1500 CA ALA A 93 -11.190 36.814 -15.897 1.00 0.00 C ATOM 1501 C ALA A 93 -12.343 37.600 -16.511 1.00 0.00 C ATOM 1502 O ALA A 93 -12.354 38.830 -16.511 1.00 0.00 O ATOM 1503 CB ALA A 93 -9.931 36.954 -16.738 1.00 0.00 C ATOM 0 H ALA A 93 -11.159 34.800 -16.473 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.984 37.222 -14.908 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.671 38.008 -16.831 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.112 36.419 -16.258 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.107 36.535 -17.729 1.00 0.00 H new ATOM 1509 N SER A 94 -13.308 36.862 -17.040 1.00 0.00 N ATOM 1510 CA SER A 94 -14.518 37.431 -17.609 1.00 0.00 C ATOM 1511 C SER A 94 -15.618 36.380 -17.553 1.00 0.00 C ATOM 1512 O SER A 94 -15.336 35.214 -17.264 1.00 0.00 O ATOM 1513 CB SER A 94 -14.273 37.884 -19.052 1.00 0.00 C ATOM 1514 OG SER A 94 -13.238 38.852 -19.109 1.00 0.00 O ATOM 0 H SER A 94 -13.272 35.844 -17.086 1.00 0.00 H new ATOM 0 HA SER A 94 -14.819 38.308 -17.036 1.00 0.00 H new ATOM 0 HB2 SER A 94 -14.007 37.024 -19.667 1.00 0.00 H new ATOM 0 HB3 SER A 94 -15.190 38.301 -19.467 1.00 0.00 H new ATOM 0 HG SER A 94 -13.097 39.126 -20.039 1.00 0.00 H new ATOM 1520 N ALA A 95 -16.857 36.784 -17.814 1.00 0.00 N ATOM 1521 CA ALA A 95 -17.988 35.861 -17.770 1.00 0.00 C ATOM 1522 C ALA A 95 -17.980 34.916 -18.967 1.00 0.00 C ATOM 1523 O ALA A 95 -18.702 35.122 -19.945 1.00 0.00 O ATOM 1524 CB ALA A 95 -19.303 36.627 -17.703 1.00 0.00 C ATOM 0 H ALA A 95 -17.104 37.743 -18.058 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.890 35.258 -16.867 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.134 35.922 -17.671 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.318 37.246 -16.806 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -19.400 37.262 -18.584 1.00 0.00 H new ATOM 1530 N TYR A 96 -17.132 33.901 -18.894 1.00 0.00 N ATOM 1531 CA TYR A 96 -17.025 32.887 -19.939 1.00 0.00 C ATOM 1532 C TYR A 96 -16.710 31.530 -19.319 1.00 0.00 C ATOM 1533 O TYR A 96 -16.798 31.362 -18.101 1.00 0.00 O ATOM 1534 CB TYR A 96 -15.930 33.255 -20.954 1.00 0.00 C ATOM 1535 CG TYR A 96 -16.272 34.430 -21.846 1.00 0.00 C ATOM 1536 CD1 TYR A 96 -17.209 34.300 -22.862 1.00 0.00 C ATOM 1537 CD2 TYR A 96 -15.661 35.667 -21.669 1.00 0.00 C ATOM 1538 CE1 TYR A 96 -17.528 35.365 -23.679 1.00 0.00 C ATOM 1539 CE2 TYR A 96 -15.976 36.739 -22.484 1.00 0.00 C ATOM 1540 CZ TYR A 96 -16.910 36.582 -23.487 1.00 0.00 C ATOM 1541 OH TYR A 96 -17.228 37.648 -24.299 1.00 0.00 O ATOM 0 H TYR A 96 -16.497 33.755 -18.109 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.980 32.837 -20.461 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -15.011 33.481 -20.413 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.726 32.387 -21.580 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -17.697 33.349 -23.016 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -14.930 35.792 -20.884 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -18.259 35.246 -24.465 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -15.493 37.694 -22.336 1.00 0.00 H new ATOM 0 HH TYR A 96 -16.704 38.432 -24.030 1.00 0.00 H new ATOM 1551 N PHE A 97 -16.349 30.571 -20.156 1.00 0.00 N ATOM 1552 CA PHE A 97 -15.983 29.246 -19.685 1.00 0.00 C ATOM 1553 C PHE A 97 -14.467 29.125 -19.580 1.00 0.00 C ATOM 1554 O PHE A 97 -13.731 29.939 -20.138 1.00 0.00 O ATOM 1555 CB PHE A 97 -16.540 28.172 -20.619 1.00 0.00 C ATOM 1556 CG PHE A 97 -18.042 28.115 -20.636 1.00 0.00 C ATOM 1557 CD1 PHE A 97 -18.732 27.492 -19.609 1.00 0.00 C ATOM 1558 CD2 PHE A 97 -18.760 28.678 -21.676 1.00 0.00 C ATOM 1559 CE1 PHE A 97 -20.112 27.431 -19.619 1.00 0.00 C ATOM 1560 CE2 PHE A 97 -20.140 28.621 -21.693 1.00 0.00 C ATOM 1561 CZ PHE A 97 -20.817 27.998 -20.664 1.00 0.00 C ATOM 0 H PHE A 97 -16.302 30.686 -21.168 1.00 0.00 H new ATOM 0 HA PHE A 97 -16.415 29.098 -18.695 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -16.180 28.359 -21.631 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -16.150 27.200 -20.316 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -18.184 27.049 -18.791 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -18.236 29.167 -22.483 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -20.638 26.942 -18.813 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -20.689 29.064 -22.511 1.00 0.00 H new ATOM 0 HZ PHE A 97 -21.896 27.954 -20.675 1.00 0.00 H new ATOM 1571 N ALA A 98 -14.009 28.108 -18.862 1.00 0.00 N ATOM 1572 CA ALA A 98 -12.585 27.897 -18.647 1.00 0.00 C ATOM 1573 C ALA A 98 -11.900 27.383 -19.909 1.00 0.00 C ATOM 1574 O ALA A 98 -10.679 27.476 -20.041 1.00 0.00 O ATOM 1575 CB ALA A 98 -12.364 26.931 -17.490 1.00 0.00 C ATOM 0 H ALA A 98 -14.608 27.413 -18.416 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.138 28.859 -18.396 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -11.295 26.782 -17.340 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.804 27.344 -16.582 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.835 25.975 -17.719 1.00 0.00 H new ATOM 1581 N LYS A 99 -12.686 26.841 -20.833 1.00 0.00 N ATOM 1582 CA LYS A 99 -12.141 26.355 -22.091 1.00 0.00 C ATOM 1583 C LYS A 99 -11.843 27.519 -23.034 1.00 0.00 C ATOM 1584 O LYS A 99 -12.700 27.957 -23.804 1.00 0.00 O ATOM 1585 CB LYS A 99 -13.087 25.346 -22.759 1.00 0.00 C ATOM 1586 CG LYS A 99 -14.533 25.809 -22.849 1.00 0.00 C ATOM 1587 CD LYS A 99 -15.353 24.897 -23.747 1.00 0.00 C ATOM 1588 CE LYS A 99 -15.318 23.453 -23.268 1.00 0.00 C ATOM 1589 NZ LYS A 99 -16.095 22.554 -24.163 1.00 0.00 N ATOM 0 H LYS A 99 -13.695 26.729 -20.734 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.206 25.839 -21.871 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.722 25.134 -23.764 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.052 24.409 -22.203 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -14.972 25.831 -21.852 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -14.567 26.828 -23.235 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -16.385 25.246 -23.774 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.971 24.951 -24.766 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.284 23.112 -23.219 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.721 23.396 -22.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.047 21.579 -23.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -17.087 22.864 -24.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.695 22.589 -25.122 1.00 0.00 H new ATOM 1603 N ALA A 100 -10.629 28.039 -22.941 1.00 0.00 N ATOM 1604 CA ALA A 100 -10.202 29.146 -23.778 1.00 0.00 C ATOM 1605 C ALA A 100 -8.752 28.970 -24.201 1.00 0.00 C ATOM 1606 O ALA A 100 -7.960 28.341 -23.501 1.00 0.00 O ATOM 1607 CB ALA A 100 -10.386 30.466 -23.041 1.00 0.00 C ATOM 0 H ALA A 100 -9.918 27.708 -22.289 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.820 29.159 -24.676 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.062 31.288 -23.680 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.438 30.597 -22.787 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.790 30.459 -22.128 1.00 0.00 H new ATOM 1613 N GLU A 101 -8.412 29.513 -25.359 1.00 0.00 N ATOM 1614 CA GLU A 101 -7.048 29.446 -25.863 1.00 0.00 C ATOM 1615 C GLU A 101 -6.461 30.848 -25.939 1.00 0.00 C ATOM 1616 O GLU A 101 -5.438 31.077 -26.578 1.00 0.00 O ATOM 1617 CB GLU A 101 -7.035 28.792 -27.247 1.00 0.00 C ATOM 1618 CG GLU A 101 -7.810 27.487 -27.310 1.00 0.00 C ATOM 1619 CD GLU A 101 -7.673 26.786 -28.644 1.00 0.00 C ATOM 1620 OE1 GLU A 101 -8.187 27.311 -29.656 1.00 0.00 O ATOM 1621 OE2 GLU A 101 -7.048 25.706 -28.685 1.00 0.00 O ATOM 0 H GLU A 101 -9.063 30.006 -25.970 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.443 28.844 -25.185 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.454 29.489 -27.973 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.002 28.606 -27.542 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.460 26.824 -26.519 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.864 27.686 -27.116 1.00 0.00 H new ATOM 1628 N PHE A 102 -7.117 31.777 -25.257 1.00 0.00 N ATOM 1629 CA PHE A 102 -6.756 33.186 -25.340 1.00 0.00 C ATOM 1630 C PHE A 102 -6.112 33.673 -24.047 1.00 0.00 C ATOM 1631 O PHE A 102 -6.105 34.868 -23.761 1.00 0.00 O ATOM 1632 CB PHE A 102 -7.998 34.024 -25.654 1.00 0.00 C ATOM 1633 CG PHE A 102 -8.667 33.646 -26.945 1.00 0.00 C ATOM 1634 CD1 PHE A 102 -8.206 34.141 -28.154 1.00 0.00 C ATOM 1635 CD2 PHE A 102 -9.760 32.792 -26.947 1.00 0.00 C ATOM 1636 CE1 PHE A 102 -8.820 33.793 -29.341 1.00 0.00 C ATOM 1637 CE2 PHE A 102 -10.378 32.441 -28.130 1.00 0.00 C ATOM 1638 CZ PHE A 102 -9.908 32.940 -29.329 1.00 0.00 C ATOM 0 H PHE A 102 -7.904 31.580 -24.639 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.027 33.301 -26.142 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -8.714 33.918 -24.839 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -7.716 35.076 -25.695 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.356 34.807 -28.168 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -10.131 32.398 -26.013 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.451 34.186 -30.277 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.229 31.776 -28.118 1.00 0.00 H new ATOM 0 HZ PHE A 102 -10.390 32.664 -30.256 1.00 0.00 H new ATOM 1648 N ASP A 103 -5.566 32.740 -23.274 1.00 0.00 N ATOM 1649 CA ASP A 103 -4.868 33.085 -22.034 1.00 0.00 C ATOM 1650 C ASP A 103 -3.657 33.954 -22.336 1.00 0.00 C ATOM 1651 O ASP A 103 -3.414 34.965 -21.679 1.00 0.00 O ATOM 1652 CB ASP A 103 -4.418 31.825 -21.294 1.00 0.00 C ATOM 1653 CG ASP A 103 -5.101 31.658 -19.948 1.00 0.00 C ATOM 1654 OD1 ASP A 103 -4.858 32.487 -19.044 1.00 0.00 O ATOM 1655 OD2 ASP A 103 -5.855 30.677 -19.781 1.00 0.00 O ATOM 0 H ASP A 103 -5.591 31.741 -23.481 1.00 0.00 H new ATOM 0 HA ASP A 103 -5.562 33.637 -21.400 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.626 30.952 -21.913 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -3.339 31.862 -21.147 1.00 0.00 H new ATOM 1660 N ARG A 104 -2.903 33.550 -23.346 1.00 0.00 N ATOM 1661 CA ARG A 104 -1.731 34.292 -23.782 1.00 0.00 C ATOM 1662 C ARG A 104 -1.813 34.524 -25.282 1.00 0.00 C ATOM 1663 O ARG A 104 -2.545 33.823 -25.982 1.00 0.00 O ATOM 1664 CB ARG A 104 -0.447 33.528 -23.442 1.00 0.00 C ATOM 1665 CG ARG A 104 -0.292 33.218 -21.963 1.00 0.00 C ATOM 1666 CD ARG A 104 0.948 32.387 -21.693 1.00 0.00 C ATOM 1667 NE ARG A 104 2.179 33.098 -22.032 1.00 0.00 N ATOM 1668 CZ ARG A 104 3.272 33.080 -21.271 1.00 0.00 C ATOM 1669 NH1 ARG A 104 3.262 32.439 -20.109 1.00 0.00 N ATOM 1670 NH2 ARG A 104 4.367 33.718 -21.662 1.00 0.00 N ATOM 0 H ARG A 104 -3.085 32.703 -23.884 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.706 35.250 -23.262 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.432 32.594 -24.003 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.411 34.113 -23.773 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -0.236 34.149 -21.399 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.173 32.683 -21.609 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.972 32.106 -20.640 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.895 31.463 -22.268 1.00 0.00 H new ATOM 0 HE ARG A 104 2.202 33.637 -22.898 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.417 31.960 -19.798 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.099 32.426 -19.527 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.374 34.224 -22.548 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.203 33.703 -21.077 1.00 0.00 H new ATOM 1684 N LEU A 105 -1.073 35.502 -25.778 1.00 0.00 N ATOM 1685 CA LEU A 105 -1.024 35.754 -27.209 1.00 0.00 C ATOM 1686 C LEU A 105 0.077 34.906 -27.828 1.00 0.00 C ATOM 1687 O LEU A 105 0.033 34.557 -29.010 1.00 0.00 O ATOM 1688 CB LEU A 105 -0.778 37.238 -27.494 1.00 0.00 C ATOM 1689 CG LEU A 105 -0.851 37.634 -28.971 1.00 0.00 C ATOM 1690 CD1 LEU A 105 -2.242 37.375 -29.529 1.00 0.00 C ATOM 1691 CD2 LEU A 105 -0.471 39.094 -29.150 1.00 0.00 C ATOM 0 H LEU A 105 -0.501 36.131 -25.215 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.984 35.485 -27.650 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.510 37.825 -26.939 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.205 37.508 -27.109 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.140 37.021 -29.524 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.272 37.663 -30.580 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.480 36.315 -29.437 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.973 37.961 -28.971 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.528 39.358 -30.206 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.158 39.721 -28.581 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.546 39.252 -28.791 1.00 0.00 H new ATOM 1703 N TRP A 106 1.066 34.579 -27.008 1.00 0.00 N ATOM 1704 CA TRP A 106 2.146 33.707 -27.428 1.00 0.00 C ATOM 1705 C TRP A 106 1.751 32.254 -27.192 1.00 0.00 C ATOM 1706 O TRP A 106 1.995 31.689 -26.122 1.00 0.00 O ATOM 1707 CB TRP A 106 3.438 34.053 -26.678 1.00 0.00 C ATOM 1708 CG TRP A 106 4.625 33.250 -27.119 1.00 0.00 C ATOM 1709 CD1 TRP A 106 5.236 33.299 -28.337 1.00 0.00 C ATOM 1710 CD2 TRP A 106 5.345 32.283 -26.345 1.00 0.00 C ATOM 1711 NE1 TRP A 106 6.288 32.419 -28.372 1.00 0.00 N ATOM 1712 CE2 TRP A 106 6.377 31.783 -27.161 1.00 0.00 C ATOM 1713 CE3 TRP A 106 5.218 31.788 -25.043 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 7.274 30.813 -26.718 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 6.111 30.829 -24.604 1.00 0.00 C ATOM 1716 CH2 TRP A 106 7.126 30.350 -25.439 1.00 0.00 C ATOM 0 H TRP A 106 1.140 34.908 -26.045 1.00 0.00 H new ATOM 0 HA TRP A 106 2.330 33.851 -28.493 1.00 0.00 H new ATOM 0 HB2 TRP A 106 3.655 35.112 -26.816 1.00 0.00 H new ATOM 0 HB3 TRP A 106 3.281 33.897 -25.611 1.00 0.00 H new ATOM 0 HD1 TRP A 106 4.936 33.937 -29.155 1.00 0.00 H new ATOM 0 HE1 TRP A 106 6.904 32.263 -29.170 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.436 32.149 -24.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.058 30.440 -27.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 6.024 30.443 -23.599 1.00 0.00 H new ATOM 0 HH2 TRP A 106 7.807 29.599 -25.066 1.00 0.00 H new ATOM 1727 N LYS A 107 1.088 31.678 -28.181 1.00 0.00 N ATOM 1728 CA LYS A 107 0.673 30.287 -28.126 1.00 0.00 C ATOM 1729 C LYS A 107 1.698 29.434 -28.866 1.00 0.00 C ATOM 1730 O LYS A 107 2.396 28.622 -28.257 1.00 0.00 O ATOM 1731 CB LYS A 107 -0.730 30.147 -28.735 1.00 0.00 C ATOM 1732 CG LYS A 107 -1.323 28.748 -28.658 1.00 0.00 C ATOM 1733 CD LYS A 107 -2.811 28.778 -28.982 1.00 0.00 C ATOM 1734 CE LYS A 107 -3.416 27.385 -29.030 1.00 0.00 C ATOM 1735 NZ LYS A 107 -2.907 26.598 -30.183 1.00 0.00 N ATOM 0 H LYS A 107 0.823 32.159 -29.041 1.00 0.00 H new ATOM 0 HA LYS A 107 0.623 29.942 -27.093 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.402 30.839 -28.227 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.689 30.452 -29.781 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.806 28.089 -29.356 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.171 28.337 -27.660 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.332 29.373 -28.232 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.962 29.271 -29.942 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.189 26.859 -28.103 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.501 27.463 -29.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.474 25.733 -30.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.977 27.168 -31.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.913 26.342 -30.017 1.00 0.00 H new ATOM 1749 N LYS A 108 1.786 29.641 -30.176 1.00 0.00 N ATOM 1750 CA LYS A 108 2.835 29.047 -30.994 1.00 0.00 C ATOM 1751 C LYS A 108 2.751 29.603 -32.411 1.00 0.00 C ATOM 1752 O LYS A 108 1.680 29.479 -33.041 1.00 0.00 O ATOM 1753 CB LYS A 108 2.778 27.509 -31.002 1.00 0.00 C ATOM 1754 CG LYS A 108 1.544 26.907 -31.657 1.00 0.00 C ATOM 1755 CD LYS A 108 1.694 25.402 -31.805 1.00 0.00 C ATOM 1756 CE LYS A 108 0.575 24.798 -32.633 1.00 0.00 C ATOM 1757 NZ LYS A 108 0.821 23.359 -32.917 1.00 0.00 N ATOM 1758 OXT LYS A 108 3.740 30.210 -32.871 1.00 0.00 O ATOM 0 H LYS A 108 1.133 30.224 -30.699 1.00 0.00 H new ATOM 0 HA LYS A 108 3.795 29.315 -30.553 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.662 27.132 -31.516 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.832 27.155 -29.973 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.662 27.132 -31.058 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.388 27.360 -32.636 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.653 25.177 -32.272 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.705 24.940 -30.818 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.371 24.909 -32.103 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.480 25.344 -33.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.037 22.978 -33.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.712 23.256 -33.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.886 22.835 -32.021 1.00 0.00 H new TER 1772 LYS A 108