USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 703 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 53 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.702) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 51 MET CE :methyl 140:sc= -0.792 (180deg=-3.22!) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 41 THR OG1 : rot -80:sc= -0.376 USER MOD Set 3.2: A 48 GLN : amide:sc= -5.84 K(o=-12,f=-27!) USER MOD Set 3.3: A 75 MET CE :methyl -109:sc= -5.34! (180deg=-6.42!) USER MOD Set 4.1: A 6 SER OG : rot 54:sc= 0.759 USER MOD Set 4.2: A 26 THR OG1 : rot -121:sc= 0.0441 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 26:sc= -0.0218 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.29 K(o=-1.3,f=-7.2!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= 0.182 (180deg=-0.279) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.733 F(o=-2.4,f=-0.73) USER MOD Single : A 44 GLN : amide:sc= -0.994! C(o=-0.99!,f=-6.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.986 K(o=-0.99,f=-5.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -155:sc= -7.38! (180deg=-9.74!) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.164 F(o=-2.1!,f=-0.16) USER MOD Single : A 71 MET CE :methyl 167:sc= -1.63 (180deg=-2.03!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.708 12.050 -21.161 1.00 0.00 N ATOM 2 CA GLY A 1 -2.752 11.415 -21.947 1.00 0.00 C ATOM 3 C GLY A 1 -2.155 10.628 -23.116 1.00 0.00 C ATOM 4 O GLY A 1 -2.301 11.021 -24.272 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.138 12.577 -20.374 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.068 11.323 -20.782 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.170 12.705 -21.763 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.334 10.746 -21.313 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.438 12.172 -22.326 1.00 0.00 H new ATOM 8 N SER A 2 -1.496 9.531 -22.774 1.00 0.00 N ATOM 9 CA SER A 2 -0.876 8.685 -23.780 1.00 0.00 C ATOM 10 C SER A 2 -0.746 7.255 -23.254 1.00 0.00 C ATOM 11 O SER A 2 -0.841 7.022 -22.050 1.00 0.00 O ATOM 12 CB SER A 2 0.495 9.228 -24.187 1.00 0.00 C ATOM 13 OG SER A 2 0.564 9.513 -25.582 1.00 0.00 O ATOM 0 H SER A 2 -1.378 9.208 -21.814 1.00 0.00 H new ATOM 0 HA SER A 2 -1.513 8.683 -24.664 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.708 10.135 -23.621 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.265 8.501 -23.927 1.00 0.00 H new ATOM 0 HG SER A 2 1.454 9.859 -25.802 1.00 0.00 H new ATOM 19 N SER A 3 -0.531 6.334 -24.182 1.00 0.00 N ATOM 20 CA SER A 3 -0.387 4.933 -23.826 1.00 0.00 C ATOM 21 C SER A 3 -1.657 4.435 -23.133 1.00 0.00 C ATOM 22 O SER A 3 -2.524 5.230 -22.773 1.00 0.00 O ATOM 23 CB SER A 3 0.830 4.716 -22.925 1.00 0.00 C ATOM 24 OG SER A 3 2.046 4.687 -23.667 1.00 0.00 O ATOM 0 H SER A 3 -0.453 6.531 -25.180 1.00 0.00 H new ATOM 0 HA SER A 3 -0.234 4.362 -24.742 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.878 5.512 -22.182 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.715 3.779 -22.381 1.00 0.00 H new ATOM 0 HG SER A 3 2.799 4.548 -23.055 1.00 0.00 H new ATOM 30 N GLY A 4 -1.726 3.123 -22.966 1.00 0.00 N ATOM 31 CA GLY A 4 -2.876 2.510 -22.323 1.00 0.00 C ATOM 32 C GLY A 4 -3.117 3.116 -20.939 1.00 0.00 C ATOM 33 O GLY A 4 -2.174 3.328 -20.177 1.00 0.00 O ATOM 0 H GLY A 4 -1.004 2.467 -23.265 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.761 2.648 -22.944 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.716 1.436 -22.231 1.00 0.00 H new ATOM 37 N SER A 5 -4.384 3.378 -20.655 1.00 0.00 N ATOM 38 CA SER A 5 -4.761 3.956 -19.376 1.00 0.00 C ATOM 39 C SER A 5 -5.259 2.859 -18.433 1.00 0.00 C ATOM 40 O SER A 5 -5.884 1.895 -18.872 1.00 0.00 O ATOM 41 CB SER A 5 -5.834 5.032 -19.553 1.00 0.00 C ATOM 42 OG SER A 5 -5.346 6.331 -19.231 1.00 0.00 O ATOM 0 H SER A 5 -5.163 3.201 -21.289 1.00 0.00 H new ATOM 0 HA SER A 5 -3.880 4.428 -18.941 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.189 5.023 -20.583 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.689 4.799 -18.919 1.00 0.00 H new ATOM 0 HG SER A 5 -6.060 6.990 -19.358 1.00 0.00 H new ATOM 48 N SER A 6 -4.962 3.043 -17.155 1.00 0.00 N ATOM 49 CA SER A 6 -5.372 2.081 -16.146 1.00 0.00 C ATOM 50 C SER A 6 -4.948 2.565 -14.758 1.00 0.00 C ATOM 51 O SER A 6 -3.889 2.185 -14.261 1.00 0.00 O ATOM 52 CB SER A 6 -4.780 0.699 -16.430 1.00 0.00 C ATOM 53 OG SER A 6 -5.718 -0.164 -17.066 1.00 0.00 O ATOM 0 H SER A 6 -4.443 3.844 -16.795 1.00 0.00 H new ATOM 0 HA SER A 6 -6.458 1.995 -16.177 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.899 0.805 -17.063 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.449 0.248 -15.495 1.00 0.00 H new ATOM 0 HG SER A 6 -6.077 0.275 -17.865 1.00 0.00 H new ATOM 59 N GLY A 7 -5.796 3.397 -14.172 1.00 0.00 N ATOM 60 CA GLY A 7 -5.522 3.938 -12.851 1.00 0.00 C ATOM 61 C GLY A 7 -6.763 3.860 -11.959 1.00 0.00 C ATOM 62 O GLY A 7 -7.822 4.373 -12.317 1.00 0.00 O ATOM 0 H GLY A 7 -6.673 3.710 -14.587 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.703 3.385 -12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.197 4.975 -12.939 1.00 0.00 H new ATOM 66 N TYR A 8 -6.590 3.215 -10.815 1.00 0.00 N ATOM 67 CA TYR A 8 -7.683 3.063 -9.869 1.00 0.00 C ATOM 68 C TYR A 8 -7.398 3.829 -8.575 1.00 0.00 C ATOM 69 O TYR A 8 -6.276 4.283 -8.352 1.00 0.00 O ATOM 70 CB TYR A 8 -7.764 1.568 -9.555 1.00 0.00 C ATOM 71 CG TYR A 8 -8.419 0.736 -10.659 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.659 0.258 -11.707 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.771 0.462 -10.607 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.275 -0.526 -12.746 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.388 -0.322 -11.646 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.609 -0.777 -12.664 1.00 0.00 C ATOM 77 OH TYR A 8 -10.191 -1.517 -13.645 1.00 0.00 O ATOM 0 H TYR A 8 -5.710 2.792 -10.521 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.611 3.453 -10.288 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.757 1.189 -9.377 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.324 1.431 -8.630 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.601 0.472 -11.748 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.366 0.836 -9.787 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.691 -0.906 -13.571 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.445 -0.543 -11.617 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.147 -1.617 -13.455 1.00 0.00 H new ATOM 87 N SER A 9 -8.432 3.949 -7.756 1.00 0.00 N ATOM 88 CA SER A 9 -8.307 4.652 -6.491 1.00 0.00 C ATOM 89 C SER A 9 -8.577 3.692 -5.330 1.00 0.00 C ATOM 90 O SER A 9 -9.383 2.772 -5.456 1.00 0.00 O ATOM 91 CB SER A 9 -9.264 5.845 -6.426 1.00 0.00 C ATOM 92 OG SER A 9 -8.996 6.684 -5.306 1.00 0.00 O ATOM 0 H SER A 9 -9.361 3.571 -7.944 1.00 0.00 H new ATOM 0 HA SER A 9 -7.289 5.033 -6.411 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.180 6.427 -7.344 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.291 5.483 -6.371 1.00 0.00 H new ATOM 0 HG SER A 9 -9.626 7.434 -5.301 1.00 0.00 H new ATOM 98 N VAL A 10 -7.887 3.940 -4.227 1.00 0.00 N ATOM 99 CA VAL A 10 -8.042 3.110 -3.045 1.00 0.00 C ATOM 100 C VAL A 10 -7.600 3.899 -1.810 1.00 0.00 C ATOM 101 O VAL A 10 -7.204 5.058 -1.920 1.00 0.00 O ATOM 102 CB VAL A 10 -7.273 1.799 -3.222 1.00 0.00 C ATOM 103 CG1 VAL A 10 -7.799 1.014 -4.426 1.00 0.00 C ATOM 104 CG2 VAL A 10 -5.770 2.057 -3.350 1.00 0.00 C ATOM 0 H VAL A 10 -7.219 4.704 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.089 2.842 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.434 1.193 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.236 0.087 -4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.854 0.783 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.682 1.612 -5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.247 1.109 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.582 2.691 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.408 2.555 -2.450 1.00 0.00 H new ATOM 114 N THR A 11 -7.684 3.239 -0.664 1.00 0.00 N ATOM 115 CA THR A 11 -7.298 3.865 0.589 1.00 0.00 C ATOM 116 C THR A 11 -6.461 2.900 1.431 1.00 0.00 C ATOM 117 O THR A 11 -6.887 1.778 1.703 1.00 0.00 O ATOM 118 CB THR A 11 -8.571 4.338 1.293 1.00 0.00 C ATOM 119 OG1 THR A 11 -8.745 5.676 0.833 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.385 4.484 2.804 1.00 0.00 C ATOM 0 H THR A 11 -8.014 2.278 -0.577 1.00 0.00 H new ATOM 0 HA THR A 11 -6.662 4.734 0.418 1.00 0.00 H new ATOM 0 HB THR A 11 -9.379 3.634 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.322 5.778 -0.045 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.318 4.822 3.254 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.104 3.521 3.231 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.600 5.213 3.005 1.00 0.00 H new ATOM 128 N VAL A 12 -5.286 3.371 1.821 1.00 0.00 N ATOM 129 CA VAL A 12 -4.386 2.564 2.627 1.00 0.00 C ATOM 130 C VAL A 12 -4.703 2.778 4.108 1.00 0.00 C ATOM 131 O VAL A 12 -4.697 3.910 4.591 1.00 0.00 O ATOM 132 CB VAL A 12 -2.933 2.890 2.273 1.00 0.00 C ATOM 133 CG1 VAL A 12 -1.970 2.277 3.292 1.00 0.00 C ATOM 134 CG2 VAL A 12 -2.597 2.428 0.854 1.00 0.00 C ATOM 0 H VAL A 12 -4.936 4.302 1.594 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.529 1.505 2.414 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.814 3.973 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.944 2.523 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.186 2.676 4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.092 1.194 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.559 2.672 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.741 1.350 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.251 2.932 0.143 1.00 0.00 H new ATOM 144 N LYS A 13 -4.973 1.674 4.788 1.00 0.00 N ATOM 145 CA LYS A 13 -5.292 1.727 6.205 1.00 0.00 C ATOM 146 C LYS A 13 -4.200 1.004 6.996 1.00 0.00 C ATOM 147 O LYS A 13 -4.091 -0.219 6.936 1.00 0.00 O ATOM 148 CB LYS A 13 -6.699 1.180 6.458 1.00 0.00 C ATOM 149 CG LYS A 13 -7.678 2.313 6.775 1.00 0.00 C ATOM 150 CD LYS A 13 -9.093 1.770 6.987 1.00 0.00 C ATOM 151 CE LYS A 13 -9.187 0.980 8.294 1.00 0.00 C ATOM 152 NZ LYS A 13 -10.450 0.210 8.344 1.00 0.00 N ATOM 0 H LYS A 13 -4.978 0.737 4.384 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.309 2.760 6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.043 0.632 5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.675 0.473 7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.350 2.843 7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.680 3.036 5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.804 2.596 7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.370 1.129 6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.337 0.302 8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.136 1.662 9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.498 -0.320 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.257 0.863 8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.483 -0.454 7.545 1.00 0.00 H new ATOM 166 N TRP A 14 -3.419 1.793 7.721 1.00 0.00 N ATOM 167 CA TRP A 14 -2.340 1.243 8.523 1.00 0.00 C ATOM 168 C TRP A 14 -2.641 1.547 9.992 1.00 0.00 C ATOM 169 O TRP A 14 -2.318 2.627 10.485 1.00 0.00 O ATOM 170 CB TRP A 14 -0.985 1.787 8.066 1.00 0.00 C ATOM 171 CG TRP A 14 0.215 1.066 8.683 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.402 -0.253 8.825 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.396 1.683 9.238 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.611 -0.531 9.429 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.235 0.684 9.688 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.744 3.040 9.356 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.475 0.936 10.286 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.987 3.275 9.957 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.843 2.280 10.415 1.00 0.00 C ATOM 0 H TRP A 14 -3.512 2.808 7.769 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.278 0.162 8.396 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -0.922 1.712 6.980 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.927 2.846 8.316 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.305 -1.005 8.507 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.979 -1.457 9.646 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.104 3.838 9.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.114 0.136 10.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.303 4.301 10.073 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.787 2.543 10.868 1.00 0.00 H new ATOM 190 N GLY A 15 -3.257 0.576 10.650 1.00 0.00 N ATOM 191 CA GLY A 15 -3.605 0.726 12.053 1.00 0.00 C ATOM 192 C GLY A 15 -4.059 2.156 12.355 1.00 0.00 C ATOM 193 O GLY A 15 -4.900 2.707 11.647 1.00 0.00 O ATOM 0 H GLY A 15 -3.524 -0.318 10.238 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.400 0.026 12.311 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.745 0.475 12.674 1.00 0.00 H new ATOM 197 N LYS A 16 -3.481 2.716 13.408 1.00 0.00 N ATOM 198 CA LYS A 16 -3.816 4.071 13.813 1.00 0.00 C ATOM 199 C LYS A 16 -3.667 5.008 12.613 1.00 0.00 C ATOM 200 O LYS A 16 -4.450 5.943 12.451 1.00 0.00 O ATOM 201 CB LYS A 16 -2.982 4.488 15.026 1.00 0.00 C ATOM 202 CG LYS A 16 -3.875 4.748 16.241 1.00 0.00 C ATOM 203 CD LYS A 16 -3.152 4.386 17.540 1.00 0.00 C ATOM 204 CE LYS A 16 -4.056 4.617 18.753 1.00 0.00 C ATOM 205 NZ LYS A 16 -4.420 3.327 19.381 1.00 0.00 N ATOM 0 H LYS A 16 -2.783 2.256 13.993 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.856 4.127 14.135 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.260 3.706 15.261 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.413 5.387 14.789 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.168 5.798 16.264 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.791 4.164 16.155 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.840 3.342 17.508 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.247 4.986 17.636 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.546 5.250 19.479 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.958 5.146 18.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.034 3.502 20.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.925 2.735 18.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.557 2.836 19.691 1.00 0.00 H new ATOM 219 N GLU A 17 -2.658 4.725 11.802 1.00 0.00 N ATOM 220 CA GLU A 17 -2.397 5.531 10.622 1.00 0.00 C ATOM 221 C GLU A 17 -3.474 5.285 9.563 1.00 0.00 C ATOM 222 O GLU A 17 -3.983 4.172 9.437 1.00 0.00 O ATOM 223 CB GLU A 17 -1.002 5.247 10.062 1.00 0.00 C ATOM 224 CG GLU A 17 0.084 5.787 10.995 1.00 0.00 C ATOM 225 CD GLU A 17 -0.115 7.281 11.261 1.00 0.00 C ATOM 226 OE1 GLU A 17 -0.404 7.998 10.280 1.00 0.00 O ATOM 227 OE2 GLU A 17 0.027 7.670 12.440 1.00 0.00 O ATOM 0 H GLU A 17 -2.011 3.948 11.939 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.430 6.582 10.909 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.871 4.173 9.929 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.901 5.704 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.063 5.240 11.938 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.066 5.621 10.551 1.00 0.00 H new ATOM 234 N LYS A 18 -3.789 6.342 8.828 1.00 0.00 N ATOM 235 CA LYS A 18 -4.795 6.255 7.784 1.00 0.00 C ATOM 236 C LYS A 18 -4.375 7.132 6.603 1.00 0.00 C ATOM 237 O LYS A 18 -3.904 8.252 6.793 1.00 0.00 O ATOM 238 CB LYS A 18 -6.178 6.597 8.343 1.00 0.00 C ATOM 239 CG LYS A 18 -7.203 6.748 7.217 1.00 0.00 C ATOM 240 CD LYS A 18 -8.546 6.132 7.613 1.00 0.00 C ATOM 241 CE LYS A 18 -9.204 6.930 8.740 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.576 6.436 8.992 1.00 0.00 N ATOM 0 H LYS A 18 -3.365 7.263 8.935 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.871 5.233 7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.500 5.815 9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.124 7.522 8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.338 7.804 6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.830 6.266 6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.207 6.106 6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.397 5.100 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.608 6.846 9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.235 7.987 8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.008 6.988 9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.146 6.539 8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.539 5.433 9.265 1.00 0.00 H new ATOM 256 N PHE A 19 -4.562 6.589 5.409 1.00 0.00 N ATOM 257 CA PHE A 19 -4.208 7.308 4.196 1.00 0.00 C ATOM 258 C PHE A 19 -5.350 7.262 3.179 1.00 0.00 C ATOM 259 O PHE A 19 -5.649 6.206 2.623 1.00 0.00 O ATOM 260 CB PHE A 19 -2.984 6.608 3.603 1.00 0.00 C ATOM 261 CG PHE A 19 -1.745 6.656 4.499 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.937 7.751 4.485 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.450 5.605 5.309 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.213 7.795 5.317 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.300 5.649 6.141 1.00 0.00 C ATOM 266 CZ PHE A 19 0.507 6.744 6.127 1.00 0.00 C ATOM 0 H PHE A 19 -4.954 5.660 5.255 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.006 8.354 4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.235 5.566 3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.744 7.068 2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.170 8.586 3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.091 4.736 5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.854 8.664 5.306 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.066 4.814 6.784 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.382 6.778 6.760 1.00 0.00 H new ATOM 276 N GLU A 20 -5.958 8.420 2.967 1.00 0.00 N ATOM 277 CA GLU A 20 -7.061 8.525 2.026 1.00 0.00 C ATOM 278 C GLU A 20 -6.671 9.423 0.851 1.00 0.00 C ATOM 279 O GLU A 20 -6.310 10.583 1.044 1.00 0.00 O ATOM 280 CB GLU A 20 -8.324 9.043 2.717 1.00 0.00 C ATOM 281 CG GLU A 20 -8.673 8.185 3.935 1.00 0.00 C ATOM 282 CD GLU A 20 -9.915 8.724 4.647 1.00 0.00 C ATOM 283 OE1 GLU A 20 -11.014 8.555 4.076 1.00 0.00 O ATOM 284 OE2 GLU A 20 -9.738 9.291 5.746 1.00 0.00 O ATOM 0 H GLU A 20 -5.708 9.294 3.430 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.281 7.529 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.175 10.077 3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.156 9.038 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.847 7.156 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.831 8.169 4.627 1.00 0.00 H new ATOM 291 N GLY A 21 -6.759 8.854 -0.343 1.00 0.00 N ATOM 292 CA GLY A 21 -6.420 9.589 -1.549 1.00 0.00 C ATOM 293 C GLY A 21 -5.091 9.105 -2.132 1.00 0.00 C ATOM 294 O GLY A 21 -4.142 9.878 -2.248 1.00 0.00 O ATOM 0 H GLY A 21 -7.060 7.892 -0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.211 9.466 -2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.356 10.654 -1.324 1.00 0.00 H new ATOM 298 N VAL A 22 -5.066 7.827 -2.482 1.00 0.00 N ATOM 299 CA VAL A 22 -3.868 7.231 -3.050 1.00 0.00 C ATOM 300 C VAL A 22 -4.175 6.725 -4.461 1.00 0.00 C ATOM 301 O VAL A 22 -5.169 6.032 -4.673 1.00 0.00 O ATOM 302 CB VAL A 22 -3.341 6.133 -2.123 1.00 0.00 C ATOM 303 CG1 VAL A 22 -2.179 5.379 -2.773 1.00 0.00 C ATOM 304 CG2 VAL A 22 -2.930 6.711 -0.767 1.00 0.00 C ATOM 0 H VAL A 22 -5.855 7.188 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.075 7.974 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.149 5.421 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.823 4.604 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.517 4.920 -3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.368 6.075 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.559 5.910 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.145 7.453 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.793 7.182 -0.296 1.00 0.00 H new ATOM 314 N GLU A 23 -3.304 7.093 -5.389 1.00 0.00 N ATOM 315 CA GLU A 23 -3.469 6.685 -6.774 1.00 0.00 C ATOM 316 C GLU A 23 -2.899 5.281 -6.986 1.00 0.00 C ATOM 317 O GLU A 23 -1.741 5.023 -6.664 1.00 0.00 O ATOM 318 CB GLU A 23 -2.816 7.691 -7.723 1.00 0.00 C ATOM 319 CG GLU A 23 -3.542 9.038 -7.680 1.00 0.00 C ATOM 320 CD GLU A 23 -3.163 9.825 -6.424 1.00 0.00 C ATOM 321 OE1 GLU A 23 -1.955 9.834 -6.103 1.00 0.00 O ATOM 322 OE2 GLU A 23 -4.090 10.400 -5.813 1.00 0.00 O ATOM 0 H GLU A 23 -2.482 7.669 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.535 6.661 -7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.770 7.829 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.830 7.299 -8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.291 9.619 -8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.620 8.875 -7.700 1.00 0.00 H new ATOM 329 N LEU A 24 -3.740 4.411 -7.526 1.00 0.00 N ATOM 330 CA LEU A 24 -3.335 3.040 -7.785 1.00 0.00 C ATOM 331 C LEU A 24 -3.418 2.763 -9.287 1.00 0.00 C ATOM 332 O LEU A 24 -4.233 3.362 -9.988 1.00 0.00 O ATOM 333 CB LEU A 24 -4.155 2.069 -6.933 1.00 0.00 C ATOM 334 CG LEU A 24 -4.242 0.632 -7.452 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.156 -0.244 -6.824 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.642 0.055 -7.232 1.00 0.00 C ATOM 0 H LEU A 24 -4.700 4.629 -7.791 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.297 2.887 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.729 2.047 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.167 2.463 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.063 0.645 -8.527 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.240 -1.260 -7.210 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.174 0.159 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.279 -0.256 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.678 -0.967 -7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.873 0.057 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.374 0.664 -7.763 1.00 0.00 H new ATOM 348 N ASN A 25 -2.565 1.855 -9.738 1.00 0.00 N ATOM 349 CA ASN A 25 -2.532 1.491 -11.144 1.00 0.00 C ATOM 350 C ASN A 25 -2.578 -0.032 -11.273 1.00 0.00 C ATOM 351 O ASN A 25 -2.122 -0.748 -10.382 1.00 0.00 O ATOM 352 CB ASN A 25 -1.247 1.985 -11.811 1.00 0.00 C ATOM 353 CG ASN A 25 -1.440 3.379 -12.411 1.00 0.00 C ATOM 354 OD1 ASN A 25 -2.539 3.904 -12.486 1.00 0.00 O ATOM 355 ND2 ASN A 25 -0.314 3.947 -12.832 1.00 0.00 N ATOM 0 H ASN A 25 -1.891 1.360 -9.154 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.391 1.952 -11.632 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.440 2.009 -11.079 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.948 1.287 -12.593 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.337 4.878 -13.248 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.573 3.452 -12.739 1.00 0.00 H new ATOM 362 N THR A 26 -3.131 -0.484 -12.389 1.00 0.00 N ATOM 363 CA THR A 26 -3.241 -1.909 -12.647 1.00 0.00 C ATOM 364 C THR A 26 -2.287 -2.324 -13.768 1.00 0.00 C ATOM 365 O THR A 26 -1.718 -3.415 -13.732 1.00 0.00 O ATOM 366 CB THR A 26 -4.708 -2.223 -12.950 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.151 -1.104 -13.714 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.585 -2.190 -11.697 1.00 0.00 C ATOM 0 H THR A 26 -3.508 0.113 -13.125 1.00 0.00 H new ATOM 0 HA THR A 26 -2.942 -2.492 -11.776 1.00 0.00 H new ATOM 0 HB THR A 26 -4.780 -3.205 -13.417 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.901 -0.671 -13.255 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.616 -2.420 -11.968 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.225 -2.929 -10.981 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.540 -1.198 -11.248 1.00 0.00 H new ATOM 376 N ASP A 27 -2.140 -1.433 -14.737 1.00 0.00 N ATOM 377 CA ASP A 27 -1.264 -1.693 -15.867 1.00 0.00 C ATOM 378 C ASP A 27 0.078 -2.220 -15.355 1.00 0.00 C ATOM 379 O ASP A 27 0.799 -2.902 -16.081 1.00 0.00 O ATOM 380 CB ASP A 27 -0.998 -0.414 -16.663 1.00 0.00 C ATOM 381 CG ASP A 27 -0.261 -0.620 -17.989 1.00 0.00 C ATOM 382 OD1 ASP A 27 -0.845 -1.296 -18.863 1.00 0.00 O ATOM 383 OD2 ASP A 27 0.868 -0.095 -18.097 1.00 0.00 O ATOM 0 H ASP A 27 -2.613 -0.530 -14.763 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.752 -2.424 -16.512 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.951 0.075 -16.866 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.416 0.268 -16.043 1.00 0.00 H new ATOM 388 N GLU A 28 0.374 -1.882 -14.108 1.00 0.00 N ATOM 389 CA GLU A 28 1.617 -2.312 -13.491 1.00 0.00 C ATOM 390 C GLU A 28 1.357 -3.469 -12.523 1.00 0.00 C ATOM 391 O GLU A 28 0.206 -3.801 -12.242 1.00 0.00 O ATOM 392 CB GLU A 28 2.307 -1.147 -12.779 1.00 0.00 C ATOM 393 CG GLU A 28 1.303 -0.049 -12.423 1.00 0.00 C ATOM 394 CD GLU A 28 0.271 -0.557 -11.414 1.00 0.00 C ATOM 395 OE1 GLU A 28 -0.406 -1.554 -11.748 1.00 0.00 O ATOM 396 OE2 GLU A 28 0.181 0.063 -10.333 1.00 0.00 O ATOM 0 H GLU A 28 -0.226 -1.315 -13.509 1.00 0.00 H new ATOM 0 HA GLU A 28 2.287 -2.664 -14.276 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.794 -1.507 -11.873 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.088 -0.737 -13.419 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.830 0.810 -12.008 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.797 0.293 -13.326 1.00 0.00 H new ATOM 403 N PRO A 29 2.473 -4.066 -12.028 1.00 0.00 N ATOM 404 CA PRO A 29 2.378 -5.178 -11.098 1.00 0.00 C ATOM 405 C PRO A 29 1.976 -4.694 -9.703 1.00 0.00 C ATOM 406 O PRO A 29 1.939 -3.491 -9.447 1.00 0.00 O ATOM 407 CB PRO A 29 3.748 -5.834 -11.127 1.00 0.00 C ATOM 408 CG PRO A 29 4.694 -4.798 -11.711 1.00 0.00 C ATOM 409 CD PRO A 29 3.852 -3.699 -12.339 1.00 0.00 C ATOM 0 HA PRO A 29 1.603 -5.893 -11.375 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.061 -6.128 -10.125 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.735 -6.738 -11.736 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.338 -4.388 -10.933 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.345 -5.253 -12.457 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.104 -2.722 -11.927 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.014 -3.642 -13.415 1.00 0.00 H new ATOM 417 N PRO A 30 1.678 -5.680 -8.816 1.00 0.00 N ATOM 418 CA PRO A 30 1.280 -5.367 -7.454 1.00 0.00 C ATOM 419 C PRO A 30 2.485 -4.932 -6.618 1.00 0.00 C ATOM 420 O PRO A 30 2.328 -4.475 -5.487 1.00 0.00 O ATOM 421 CB PRO A 30 0.623 -6.635 -6.934 1.00 0.00 C ATOM 422 CG PRO A 30 1.089 -7.753 -7.853 1.00 0.00 C ATOM 423 CD PRO A 30 1.710 -7.115 -9.085 1.00 0.00 C ATOM 0 HA PRO A 30 0.589 -4.526 -7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.914 -6.831 -5.902 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.463 -6.546 -6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.815 -8.387 -7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.251 -8.390 -8.135 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.730 -7.466 -9.241 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.147 -7.362 -9.985 1.00 0.00 H new ATOM 431 N MET A 31 3.662 -5.089 -7.207 1.00 0.00 N ATOM 432 CA MET A 31 4.893 -4.718 -6.530 1.00 0.00 C ATOM 433 C MET A 31 5.023 -3.198 -6.423 1.00 0.00 C ATOM 434 O MET A 31 5.698 -2.690 -5.529 1.00 0.00 O ATOM 435 CB MET A 31 6.089 -5.280 -7.301 1.00 0.00 C ATOM 436 CG MET A 31 5.889 -6.764 -7.617 1.00 0.00 C ATOM 437 SD MET A 31 5.622 -7.680 -6.109 1.00 0.00 S ATOM 438 CE MET A 31 7.314 -7.964 -5.616 1.00 0.00 C ATOM 0 H MET A 31 3.789 -5.468 -8.145 1.00 0.00 H new ATOM 0 HA MET A 31 4.871 -5.134 -5.523 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.224 -4.722 -8.228 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.999 -5.149 -6.715 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.036 -6.890 -8.284 1.00 0.00 H new ATOM 0 HG3 MET A 31 6.763 -7.154 -8.139 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.331 -8.529 -4.684 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.829 -8.529 -6.392 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.816 -7.007 -5.470 1.00 0.00 H new ATOM 448 N VAL A 32 4.366 -2.513 -7.348 1.00 0.00 N ATOM 449 CA VAL A 32 4.400 -1.060 -7.369 1.00 0.00 C ATOM 450 C VAL A 32 3.569 -0.518 -6.204 1.00 0.00 C ATOM 451 O VAL A 32 4.105 0.115 -5.296 1.00 0.00 O ATOM 452 CB VAL A 32 3.929 -0.546 -8.731 1.00 0.00 C ATOM 453 CG1 VAL A 32 4.039 0.978 -8.809 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.707 -1.211 -9.867 1.00 0.00 C ATOM 0 H VAL A 32 3.807 -2.937 -8.088 1.00 0.00 H new ATOM 0 HA VAL A 32 5.420 -0.699 -7.236 1.00 0.00 H new ATOM 0 HB VAL A 32 2.878 -0.812 -8.845 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.698 1.318 -9.787 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.420 1.428 -8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.077 1.276 -8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.352 -0.828 -10.824 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.769 -0.990 -9.759 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.555 -2.290 -9.829 1.00 0.00 H new ATOM 464 N PHE A 33 2.273 -0.786 -6.269 1.00 0.00 N ATOM 465 CA PHE A 33 1.363 -0.333 -5.231 1.00 0.00 C ATOM 466 C PHE A 33 1.922 -0.638 -3.840 1.00 0.00 C ATOM 467 O PHE A 33 1.645 0.085 -2.884 1.00 0.00 O ATOM 468 CB PHE A 33 0.052 -1.099 -5.420 1.00 0.00 C ATOM 469 CG PHE A 33 -1.060 -0.677 -4.458 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.646 0.544 -4.589 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.463 -1.522 -3.471 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.678 0.936 -3.696 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.495 -1.130 -2.578 1.00 0.00 C ATOM 474 CZ PHE A 33 -3.081 0.090 -2.709 1.00 0.00 C ATOM 0 H PHE A 33 1.832 -1.311 -7.024 1.00 0.00 H new ATOM 0 HA PHE A 33 1.219 0.745 -5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.295 -0.958 -6.444 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.244 -2.164 -5.292 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.326 1.215 -5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.998 -2.491 -3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.143 1.905 -3.800 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.815 -1.801 -1.794 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.866 0.388 -2.030 1.00 0.00 H new ATOM 484 N LYS A 34 2.699 -1.709 -3.771 1.00 0.00 N ATOM 485 CA LYS A 34 3.299 -2.118 -2.513 1.00 0.00 C ATOM 486 C LYS A 34 4.562 -1.292 -2.263 1.00 0.00 C ATOM 487 O LYS A 34 4.889 -0.981 -1.118 1.00 0.00 O ATOM 488 CB LYS A 34 3.540 -3.629 -2.501 1.00 0.00 C ATOM 489 CG LYS A 34 2.217 -4.395 -2.436 1.00 0.00 C ATOM 490 CD LYS A 34 2.460 -5.900 -2.312 1.00 0.00 C ATOM 491 CE LYS A 34 1.873 -6.651 -3.508 1.00 0.00 C ATOM 492 NZ LYS A 34 2.937 -7.377 -4.238 1.00 0.00 N ATOM 0 H LYS A 34 2.927 -2.306 -4.566 1.00 0.00 H new ATOM 0 HA LYS A 34 2.619 -1.920 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.089 -3.920 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.161 -3.895 -1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.632 -4.046 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.630 -4.190 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.530 -6.095 -2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.011 -6.270 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.114 -7.354 -3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.378 -5.949 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.518 -8.172 -4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.403 -6.730 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.638 -7.739 -3.560 1.00 0.00 H new ATOM 506 N ALA A 35 5.239 -0.960 -3.353 1.00 0.00 N ATOM 507 CA ALA A 35 6.459 -0.176 -3.266 1.00 0.00 C ATOM 508 C ALA A 35 6.122 1.230 -2.765 1.00 0.00 C ATOM 509 O ALA A 35 6.941 1.870 -2.106 1.00 0.00 O ATOM 510 CB ALA A 35 7.152 -0.158 -4.630 1.00 0.00 C ATOM 0 H ALA A 35 4.966 -1.220 -4.301 1.00 0.00 H new ATOM 0 HA ALA A 35 7.152 -0.623 -2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.067 0.430 -4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.396 -1.178 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.487 0.287 -5.370 1.00 0.00 H new ATOM 516 N GLN A 36 4.917 1.668 -3.095 1.00 0.00 N ATOM 517 CA GLN A 36 4.462 2.987 -2.687 1.00 0.00 C ATOM 518 C GLN A 36 4.080 2.981 -1.205 1.00 0.00 C ATOM 519 O GLN A 36 4.450 3.888 -0.462 1.00 0.00 O ATOM 520 CB GLN A 36 3.291 3.455 -3.553 1.00 0.00 C ATOM 521 CG GLN A 36 2.691 4.753 -3.007 1.00 0.00 C ATOM 522 CD GLN A 36 1.260 4.950 -3.513 1.00 0.00 C ATOM 523 OE1 GLN A 36 0.455 3.918 -3.276 1.00 0.00 O flip ATOM 524 NE2 GLN A 36 0.911 5.971 -4.082 1.00 0.00 N flip ATOM 0 H GLN A 36 4.241 1.133 -3.640 1.00 0.00 H new ATOM 0 HA GLN A 36 5.281 3.693 -2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.630 3.609 -4.577 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.525 2.681 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.695 4.730 -1.917 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.308 5.599 -3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.581 6.726 -4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.050 6.070 -4.408 1.00 0.00 H new ATOM 533 N LEU A 37 3.346 1.947 -0.820 1.00 0.00 N ATOM 534 CA LEU A 37 2.910 1.811 0.559 1.00 0.00 C ATOM 535 C LEU A 37 4.110 2.001 1.490 1.00 0.00 C ATOM 536 O LEU A 37 3.959 2.476 2.614 1.00 0.00 O ATOM 537 CB LEU A 37 2.179 0.483 0.762 1.00 0.00 C ATOM 538 CG LEU A 37 0.824 0.350 0.063 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.202 -0.319 0.980 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.336 1.706 -0.450 1.00 0.00 C ATOM 0 H LEU A 37 3.042 1.196 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 37 2.187 2.587 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.826 -0.322 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.030 0.332 1.831 1.00 0.00 H new ATOM 0 HG LEU A 37 0.950 -0.296 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.156 -0.401 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.149 -1.314 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.331 0.281 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.629 1.583 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.231 2.395 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.058 2.107 -1.161 1.00 0.00 H new ATOM 552 N PHE A 38 5.274 1.619 0.986 1.00 0.00 N ATOM 553 CA PHE A 38 6.499 1.741 1.758 1.00 0.00 C ATOM 554 C PHE A 38 6.715 3.184 2.221 1.00 0.00 C ATOM 555 O PHE A 38 6.998 3.428 3.392 1.00 0.00 O ATOM 556 CB PHE A 38 7.651 1.336 0.836 1.00 0.00 C ATOM 557 CG PHE A 38 8.959 1.035 1.570 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.503 1.965 2.401 1.00 0.00 C ATOM 559 CD2 PHE A 38 9.578 -0.163 1.392 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.717 1.685 3.082 1.00 0.00 C ATOM 561 CE2 PHE A 38 10.792 -0.443 2.074 1.00 0.00 C ATOM 562 CZ PHE A 38 11.336 0.487 2.904 1.00 0.00 C ATOM 0 H PHE A 38 5.395 1.225 0.053 1.00 0.00 H new ATOM 0 HA PHE A 38 6.445 1.108 2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.355 0.455 0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.826 2.136 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 38 9.011 2.916 2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.146 -0.901 0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 38 11.149 2.423 3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.283 -1.395 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.260 0.274 3.422 1.00 0.00 H new ATOM 572 N ALA A 39 6.572 4.102 1.276 1.00 0.00 N ATOM 573 CA ALA A 39 6.748 5.513 1.572 1.00 0.00 C ATOM 574 C ALA A 39 5.487 6.047 2.255 1.00 0.00 C ATOM 575 O ALA A 39 5.435 7.213 2.645 1.00 0.00 O ATOM 576 CB ALA A 39 7.076 6.269 0.282 1.00 0.00 C ATOM 0 H ALA A 39 6.336 3.896 0.305 1.00 0.00 H new ATOM 0 HA ALA A 39 7.583 5.660 2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.208 7.328 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.995 5.871 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.259 6.147 -0.429 1.00 0.00 H new ATOM 582 N LEU A 40 4.503 5.169 2.380 1.00 0.00 N ATOM 583 CA LEU A 40 3.247 5.537 3.010 1.00 0.00 C ATOM 584 C LEU A 40 3.330 5.250 4.510 1.00 0.00 C ATOM 585 O LEU A 40 2.866 6.046 5.325 1.00 0.00 O ATOM 586 CB LEU A 40 2.075 4.842 2.314 1.00 0.00 C ATOM 587 CG LEU A 40 1.855 5.206 0.844 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.403 4.963 0.430 1.00 0.00 C ATOM 589 CD2 LEU A 40 2.299 6.644 0.563 1.00 0.00 C ATOM 0 H LEU A 40 4.550 4.203 2.055 1.00 0.00 H new ATOM 0 HA LEU A 40 3.064 6.606 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.225 3.765 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.163 5.072 2.865 1.00 0.00 H new ATOM 0 HG LEU A 40 2.477 4.552 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.274 5.230 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.156 3.911 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.258 5.575 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.132 6.877 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.723 7.331 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.359 6.749 0.794 1.00 0.00 H new ATOM 601 N THR A 41 3.924 4.109 4.830 1.00 0.00 N ATOM 602 CA THR A 41 4.074 3.707 6.218 1.00 0.00 C ATOM 603 C THR A 41 5.552 3.512 6.560 1.00 0.00 C ATOM 604 O THR A 41 6.015 3.961 7.607 1.00 0.00 O ATOM 605 CB THR A 41 3.228 2.451 6.439 1.00 0.00 C ATOM 606 OG1 THR A 41 3.831 1.473 5.596 1.00 0.00 O ATOM 607 CG2 THR A 41 1.809 2.596 5.887 1.00 0.00 C ATOM 0 H THR A 41 4.307 3.451 4.152 1.00 0.00 H new ATOM 0 HA THR A 41 3.716 4.482 6.896 1.00 0.00 H new ATOM 0 HB THR A 41 3.181 2.228 7.505 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.528 1.605 4.673 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.252 1.677 6.070 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.309 3.428 6.382 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.853 2.786 4.815 1.00 0.00 H new ATOM 615 N GLY A 42 6.252 2.841 5.657 1.00 0.00 N ATOM 616 CA GLY A 42 7.669 2.581 5.850 1.00 0.00 C ATOM 617 C GLY A 42 7.943 1.079 5.941 1.00 0.00 C ATOM 618 O GLY A 42 8.933 0.660 6.539 1.00 0.00 O ATOM 0 H GLY A 42 5.864 2.469 4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.237 3.008 5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.012 3.073 6.760 1.00 0.00 H new ATOM 622 N VAL A 43 7.050 0.309 5.337 1.00 0.00 N ATOM 623 CA VAL A 43 7.183 -1.138 5.342 1.00 0.00 C ATOM 624 C VAL A 43 7.521 -1.619 3.930 1.00 0.00 C ATOM 625 O VAL A 43 7.301 -0.901 2.956 1.00 0.00 O ATOM 626 CB VAL A 43 5.913 -1.779 5.904 1.00 0.00 C ATOM 627 CG1 VAL A 43 6.096 -3.286 6.092 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.494 -1.109 7.214 1.00 0.00 C ATOM 0 H VAL A 43 6.231 0.660 4.841 1.00 0.00 H new ATOM 0 HA VAL A 43 8.001 -1.444 5.994 1.00 0.00 H new ATOM 0 HB VAL A 43 5.113 -1.627 5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.178 -3.717 6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.324 -3.747 5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.916 -3.469 6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.589 -1.584 7.592 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.293 -1.214 7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.302 -0.051 7.036 1.00 0.00 H new ATOM 638 N GLN A 44 8.052 -2.832 3.863 1.00 0.00 N ATOM 639 CA GLN A 44 8.423 -3.417 2.587 1.00 0.00 C ATOM 640 C GLN A 44 7.178 -3.915 1.849 1.00 0.00 C ATOM 641 O GLN A 44 6.151 -4.186 2.470 1.00 0.00 O ATOM 642 CB GLN A 44 9.436 -4.548 2.776 1.00 0.00 C ATOM 643 CG GLN A 44 10.761 -4.011 3.322 1.00 0.00 C ATOM 644 CD GLN A 44 10.572 -3.396 4.710 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.821 -3.886 5.538 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.293 -2.298 4.918 1.00 0.00 N ATOM 0 H GLN A 44 8.234 -3.425 4.673 1.00 0.00 H new ATOM 0 HA GLN A 44 8.897 -2.646 1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.031 -5.293 3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.608 -5.050 1.824 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.491 -4.819 3.374 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.163 -3.262 2.640 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.902 -1.941 4.182 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.237 -1.813 5.814 1.00 0.00 H new ATOM 655 N PRO A 45 7.313 -4.022 0.500 1.00 0.00 N ATOM 656 CA PRO A 45 6.212 -4.482 -0.328 1.00 0.00 C ATOM 657 C PRO A 45 6.018 -5.994 -0.192 1.00 0.00 C ATOM 658 O PRO A 45 5.136 -6.570 -0.828 1.00 0.00 O ATOM 659 CB PRO A 45 6.577 -4.055 -1.741 1.00 0.00 C ATOM 660 CG PRO A 45 8.073 -3.787 -1.722 1.00 0.00 C ATOM 661 CD PRO A 45 8.514 -3.710 -0.269 1.00 0.00 C ATOM 0 HA PRO A 45 5.255 -4.053 -0.031 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.329 -4.835 -2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.024 -3.163 -2.035 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.610 -4.580 -2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.301 -2.855 -2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.314 -4.420 -0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.895 -2.719 -0.023 1.00 0.00 H new ATOM 669 N ALA A 46 6.856 -6.594 0.640 1.00 0.00 N ATOM 670 CA ALA A 46 6.787 -8.027 0.868 1.00 0.00 C ATOM 671 C ALA A 46 6.065 -8.295 2.190 1.00 0.00 C ATOM 672 O ALA A 46 5.218 -9.184 2.269 1.00 0.00 O ATOM 673 CB ALA A 46 8.199 -8.616 0.845 1.00 0.00 C ATOM 0 H ALA A 46 7.587 -6.114 1.165 1.00 0.00 H new ATOM 0 HA ALA A 46 6.217 -8.514 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.148 -9.691 1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.657 -8.424 -0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.799 -8.152 1.628 1.00 0.00 H new ATOM 679 N ARG A 47 6.427 -7.512 3.195 1.00 0.00 N ATOM 680 CA ARG A 47 5.824 -7.654 4.509 1.00 0.00 C ATOM 681 C ARG A 47 4.424 -7.038 4.520 1.00 0.00 C ATOM 682 O ARG A 47 3.521 -7.553 5.177 1.00 0.00 O ATOM 683 CB ARG A 47 6.679 -6.978 5.583 1.00 0.00 C ATOM 684 CG ARG A 47 8.164 -7.287 5.377 1.00 0.00 C ATOM 685 CD ARG A 47 8.788 -7.854 6.653 1.00 0.00 C ATOM 686 NE ARG A 47 10.230 -8.109 6.441 1.00 0.00 N ATOM 687 CZ ARG A 47 10.997 -8.828 7.273 1.00 0.00 C ATOM 688 NH1 ARG A 47 10.464 -9.366 8.378 1.00 0.00 N ATOM 689 NH2 ARG A 47 12.296 -9.007 7.000 1.00 0.00 N ATOM 0 H ARG A 47 7.131 -6.777 3.126 1.00 0.00 H new ATOM 0 HA ARG A 47 5.758 -8.719 4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.521 -5.900 5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.366 -7.319 6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.281 -8.002 4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.691 -6.379 5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.651 -7.153 7.477 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.284 -8.779 6.934 1.00 0.00 H new ATOM 0 HE ARG A 47 10.668 -7.713 5.609 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.475 -9.229 8.586 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.047 -9.913 9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.702 -8.596 6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.880 -9.554 7.633 1.00 0.00 H new ATOM 703 N GLN A 48 4.287 -5.944 3.784 1.00 0.00 N ATOM 704 CA GLN A 48 3.012 -5.253 3.701 1.00 0.00 C ATOM 705 C GLN A 48 1.933 -6.193 3.159 1.00 0.00 C ATOM 706 O GLN A 48 1.774 -6.327 1.947 1.00 0.00 O ATOM 707 CB GLN A 48 3.126 -3.994 2.839 1.00 0.00 C ATOM 708 CG GLN A 48 3.832 -2.870 3.601 1.00 0.00 C ATOM 709 CD GLN A 48 3.953 -1.614 2.736 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.585 -0.520 3.130 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.490 -1.831 1.538 1.00 0.00 N ATOM 0 H GLN A 48 5.038 -5.520 3.240 1.00 0.00 H new ATOM 0 HA GLN A 48 2.724 -4.941 4.705 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.677 -4.222 1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.132 -3.665 2.537 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.277 -2.638 4.510 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.824 -3.201 3.908 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.777 -2.773 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.615 -1.056 0.887 1.00 0.00 H new ATOM 720 N LYS A 49 1.219 -6.818 4.083 1.00 0.00 N ATOM 721 CA LYS A 49 0.160 -7.741 3.713 1.00 0.00 C ATOM 722 C LYS A 49 -1.029 -6.952 3.161 1.00 0.00 C ATOM 723 O LYS A 49 -1.893 -6.514 3.919 1.00 0.00 O ATOM 724 CB LYS A 49 -0.198 -8.647 4.893 1.00 0.00 C ATOM 725 CG LYS A 49 -0.998 -9.865 4.427 1.00 0.00 C ATOM 726 CD LYS A 49 -1.924 -10.369 5.535 1.00 0.00 C ATOM 727 CE LYS A 49 -3.180 -11.018 4.948 1.00 0.00 C ATOM 728 NZ LYS A 49 -3.133 -12.487 5.121 1.00 0.00 N ATOM 0 H LYS A 49 1.353 -6.703 5.088 1.00 0.00 H new ATOM 0 HA LYS A 49 0.497 -8.408 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.713 -8.976 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.778 -8.085 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.586 -9.603 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.315 -10.661 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.394 -11.091 6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.208 -9.539 6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.067 -10.616 5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.262 -10.773 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.992 -12.912 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.297 -12.867 4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.077 -12.716 6.134 1.00 0.00 H new ATOM 742 N VAL A 50 -1.034 -6.794 1.846 1.00 0.00 N ATOM 743 CA VAL A 50 -2.102 -6.065 1.184 1.00 0.00 C ATOM 744 C VAL A 50 -3.264 -7.019 0.898 1.00 0.00 C ATOM 745 O VAL A 50 -3.224 -7.779 -0.069 1.00 0.00 O ATOM 746 CB VAL A 50 -1.566 -5.381 -0.076 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.671 -4.595 -0.784 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.376 -4.479 0.255 1.00 0.00 C ATOM 0 H VAL A 50 -0.315 -7.158 1.221 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.482 -5.274 1.830 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.218 -6.157 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.264 -4.119 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.475 -5.274 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.063 -3.832 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.014 -4.005 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.687 -3.712 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.422 -5.077 0.695 1.00 0.00 H new ATOM 758 N MET A 51 -4.270 -6.949 1.756 1.00 0.00 N ATOM 759 CA MET A 51 -5.441 -7.797 1.608 1.00 0.00 C ATOM 760 C MET A 51 -6.361 -7.274 0.503 1.00 0.00 C ATOM 761 O MET A 51 -6.156 -6.175 -0.011 1.00 0.00 O ATOM 762 CB MET A 51 -6.208 -7.845 2.931 1.00 0.00 C ATOM 763 CG MET A 51 -5.753 -9.030 3.786 1.00 0.00 C ATOM 764 SD MET A 51 -7.141 -10.094 4.142 1.00 0.00 S ATOM 765 CE MET A 51 -7.381 -10.837 2.537 1.00 0.00 C ATOM 0 H MET A 51 -4.299 -6.318 2.557 1.00 0.00 H new ATOM 0 HA MET A 51 -5.108 -8.798 1.334 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.053 -6.916 3.479 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.277 -7.924 2.733 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.979 -9.591 3.262 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.312 -8.670 4.716 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.618 -11.894 2.657 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.203 -10.337 2.024 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.469 -10.734 1.948 1.00 0.00 H new ATOM 775 N VAL A 52 -7.354 -8.085 0.171 1.00 0.00 N ATOM 776 CA VAL A 52 -8.306 -7.717 -0.863 1.00 0.00 C ATOM 777 C VAL A 52 -9.724 -8.028 -0.379 1.00 0.00 C ATOM 778 O VAL A 52 -9.915 -8.879 0.488 1.00 0.00 O ATOM 779 CB VAL A 52 -7.954 -8.424 -2.174 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.808 -7.895 -3.328 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.462 -8.286 -2.487 1.00 0.00 C ATOM 0 H VAL A 52 -7.520 -8.996 0.600 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.258 -6.647 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.174 -9.485 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.538 -8.414 -4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.862 -8.068 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.633 -6.826 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.238 -8.797 -3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.206 -7.231 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.878 -8.732 -1.682 1.00 0.00 H new ATOM 791 N LYS A 53 -10.682 -7.321 -0.961 1.00 0.00 N ATOM 792 CA LYS A 53 -12.076 -7.511 -0.600 1.00 0.00 C ATOM 793 C LYS A 53 -12.313 -8.982 -0.251 1.00 0.00 C ATOM 794 O LYS A 53 -13.046 -9.291 0.687 1.00 0.00 O ATOM 795 CB LYS A 53 -12.993 -6.988 -1.708 1.00 0.00 C ATOM 796 CG LYS A 53 -12.871 -5.469 -1.848 1.00 0.00 C ATOM 797 CD LYS A 53 -14.097 -4.883 -2.551 1.00 0.00 C ATOM 798 CE LYS A 53 -14.565 -3.601 -1.860 1.00 0.00 C ATOM 799 NZ LYS A 53 -15.723 -3.020 -2.575 1.00 0.00 N ATOM 0 H LYS A 53 -10.520 -6.616 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.321 -6.928 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.736 -7.466 -2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.026 -7.255 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.762 -5.017 -0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.972 -5.223 -2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.857 -4.672 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.904 -5.615 -2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.839 -3.817 -0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.749 -2.879 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.719 -1.986 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.661 -3.256 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.604 -3.408 -2.182 1.00 0.00 H new ATOM 813 N GLY A 54 -11.678 -9.850 -1.025 1.00 0.00 N ATOM 814 CA GLY A 54 -11.810 -11.281 -0.809 1.00 0.00 C ATOM 815 C GLY A 54 -10.623 -12.038 -1.410 1.00 0.00 C ATOM 816 O GLY A 54 -10.800 -13.086 -2.029 1.00 0.00 O ATOM 0 H GLY A 54 -11.071 -9.590 -1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.874 -11.487 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.738 -11.636 -1.258 1.00 0.00 H new ATOM 820 N GLY A 55 -9.440 -11.477 -1.206 1.00 0.00 N ATOM 821 CA GLY A 55 -8.225 -12.086 -1.719 1.00 0.00 C ATOM 822 C GLY A 55 -6.984 -11.362 -1.193 1.00 0.00 C ATOM 823 O GLY A 55 -7.087 -10.501 -0.320 1.00 0.00 O ATOM 0 H GLY A 55 -9.297 -10.607 -0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.189 -13.136 -1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.232 -12.058 -2.809 1.00 0.00 H new ATOM 827 N THR A 56 -5.840 -11.737 -1.746 1.00 0.00 N ATOM 828 CA THR A 56 -4.581 -11.134 -1.343 1.00 0.00 C ATOM 829 C THR A 56 -3.835 -10.591 -2.564 1.00 0.00 C ATOM 830 O THR A 56 -3.876 -11.190 -3.637 1.00 0.00 O ATOM 831 CB THR A 56 -3.785 -12.180 -0.560 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.644 -12.532 0.521 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.552 -11.586 0.123 1.00 0.00 C ATOM 0 H THR A 56 -5.759 -12.451 -2.470 1.00 0.00 H new ATOM 0 HA THR A 56 -4.744 -10.275 -0.692 1.00 0.00 H new ATOM 0 HB THR A 56 -3.477 -12.980 -1.233 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.206 -13.208 1.080 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.023 -12.370 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.891 -11.156 -0.629 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.862 -10.808 0.821 1.00 0.00 H new ATOM 841 N LEU A 57 -3.171 -9.464 -2.358 1.00 0.00 N ATOM 842 CA LEU A 57 -2.417 -8.833 -3.429 1.00 0.00 C ATOM 843 C LEU A 57 -1.263 -9.749 -3.841 1.00 0.00 C ATOM 844 O LEU A 57 -0.499 -10.211 -2.995 1.00 0.00 O ATOM 845 CB LEU A 57 -1.970 -7.430 -3.015 1.00 0.00 C ATOM 846 CG LEU A 57 -2.417 -6.287 -3.929 1.00 0.00 C ATOM 847 CD1 LEU A 57 -1.579 -5.030 -3.685 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.392 -6.717 -5.397 1.00 0.00 C ATOM 0 H LEU A 57 -3.139 -8.971 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.046 -8.695 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.344 -7.233 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.882 -7.419 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.450 -6.038 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.917 -4.233 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.692 -4.713 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.530 -5.248 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.714 -5.886 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.379 -7.009 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.065 -7.562 -5.540 1.00 0.00 H new ATOM 860 N LYS A 58 -1.173 -9.985 -5.142 1.00 0.00 N ATOM 861 CA LYS A 58 -0.125 -10.837 -5.677 1.00 0.00 C ATOM 862 C LYS A 58 1.180 -10.043 -5.761 1.00 0.00 C ATOM 863 O LYS A 58 1.263 -8.923 -5.258 1.00 0.00 O ATOM 864 CB LYS A 58 -0.560 -11.448 -7.011 1.00 0.00 C ATOM 865 CG LYS A 58 -1.381 -12.719 -6.790 1.00 0.00 C ATOM 866 CD LYS A 58 -1.561 -13.490 -8.099 1.00 0.00 C ATOM 867 CE LYS A 58 -3.019 -13.913 -8.291 1.00 0.00 C ATOM 868 NZ LYS A 58 -3.219 -14.486 -9.641 1.00 0.00 N ATOM 0 H LYS A 58 -1.809 -9.601 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 58 0.057 -11.680 -5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.150 -10.723 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.319 -11.679 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.885 -13.353 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.357 -12.459 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.246 -12.869 -8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.920 -14.372 -8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.294 -14.647 -7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.674 -13.053 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.214 -14.768 -9.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.976 -13.774 -10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.608 -15.319 -9.759 1.00 0.00 H new ATOM 882 N ASP A 59 2.167 -10.653 -6.401 1.00 0.00 N ATOM 883 CA ASP A 59 3.464 -10.016 -6.557 1.00 0.00 C ATOM 884 C ASP A 59 3.870 -10.052 -8.032 1.00 0.00 C ATOM 885 O ASP A 59 4.324 -9.048 -8.579 1.00 0.00 O ATOM 886 CB ASP A 59 4.538 -10.750 -5.752 1.00 0.00 C ATOM 887 CG ASP A 59 4.285 -10.816 -4.245 1.00 0.00 C ATOM 888 OD1 ASP A 59 3.213 -11.340 -3.872 1.00 0.00 O ATOM 889 OD2 ASP A 59 5.169 -10.342 -3.500 1.00 0.00 O ATOM 0 H ASP A 59 2.095 -11.581 -6.817 1.00 0.00 H new ATOM 0 HA ASP A 59 3.382 -8.990 -6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.626 -11.767 -6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.497 -10.260 -5.923 1.00 0.00 H new ATOM 894 N ASP A 60 3.694 -11.219 -8.633 1.00 0.00 N ATOM 895 CA ASP A 60 4.037 -11.399 -10.033 1.00 0.00 C ATOM 896 C ASP A 60 3.164 -10.480 -10.890 1.00 0.00 C ATOM 897 O ASP A 60 3.677 -9.708 -11.699 1.00 0.00 O ATOM 898 CB ASP A 60 3.786 -12.841 -10.481 1.00 0.00 C ATOM 899 CG ASP A 60 5.030 -13.730 -10.525 1.00 0.00 C ATOM 900 OD1 ASP A 60 6.119 -13.197 -10.219 1.00 0.00 O ATOM 901 OD2 ASP A 60 4.865 -14.921 -10.864 1.00 0.00 O ATOM 0 H ASP A 60 3.318 -12.050 -8.176 1.00 0.00 H new ATOM 0 HA ASP A 60 5.094 -11.162 -10.154 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.058 -13.293 -9.807 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.335 -12.824 -11.473 1.00 0.00 H new ATOM 906 N ASP A 61 1.860 -10.592 -10.682 1.00 0.00 N ATOM 907 CA ASP A 61 0.911 -9.780 -11.426 1.00 0.00 C ATOM 908 C ASP A 61 -0.462 -9.868 -10.756 1.00 0.00 C ATOM 909 O ASP A 61 -0.759 -10.840 -10.065 1.00 0.00 O ATOM 910 CB ASP A 61 0.768 -10.279 -12.865 1.00 0.00 C ATOM 911 CG ASP A 61 2.031 -10.157 -13.720 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.270 -9.038 -14.223 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.729 -11.186 -13.851 1.00 0.00 O ATOM 0 H ASP A 61 1.438 -11.232 -10.009 1.00 0.00 H new ATOM 0 HA ASP A 61 1.279 -8.754 -11.436 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.462 -11.325 -12.842 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.035 -9.723 -13.348 1.00 0.00 H new ATOM 918 N TRP A 62 -1.263 -8.837 -10.985 1.00 0.00 N ATOM 919 CA TRP A 62 -2.597 -8.785 -10.413 1.00 0.00 C ATOM 920 C TRP A 62 -3.375 -10.004 -10.915 1.00 0.00 C ATOM 921 O TRP A 62 -3.933 -10.759 -10.121 1.00 0.00 O ATOM 922 CB TRP A 62 -3.285 -7.459 -10.745 1.00 0.00 C ATOM 923 CG TRP A 62 -2.548 -6.227 -10.217 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.419 -5.677 -10.686 1.00 0.00 C ATOM 925 CD2 TRP A 62 -2.936 -5.409 -9.093 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.053 -4.568 -9.949 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.005 -4.400 -8.950 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.037 -5.517 -8.226 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.080 -3.423 -7.950 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.098 -4.533 -7.232 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.169 -3.512 -7.075 1.00 0.00 C ATOM 0 H TRP A 62 -1.013 -8.032 -11.559 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.551 -8.825 -9.325 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.385 -7.374 -11.827 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.294 -7.471 -10.332 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.865 -6.054 -11.533 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.235 -3.980 -10.108 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.778 -6.298 -8.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.338 -2.643 -7.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.925 -4.570 -6.539 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.287 -2.790 -6.281 1.00 0.00 H new ATOM 942 N GLY A 63 -3.387 -10.157 -12.231 1.00 0.00 N ATOM 943 CA GLY A 63 -4.087 -11.271 -12.848 1.00 0.00 C ATOM 944 C GLY A 63 -5.513 -10.875 -13.235 1.00 0.00 C ATOM 945 O GLY A 63 -5.717 -10.123 -14.187 1.00 0.00 O ATOM 0 H GLY A 63 -2.923 -9.528 -12.887 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.544 -11.601 -13.734 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.114 -12.115 -12.159 1.00 0.00 H new ATOM 949 N ASN A 64 -6.465 -11.400 -12.476 1.00 0.00 N ATOM 950 CA ASN A 64 -7.866 -11.111 -12.727 1.00 0.00 C ATOM 951 C ASN A 64 -8.512 -10.584 -11.444 1.00 0.00 C ATOM 952 O ASN A 64 -9.514 -11.125 -10.981 1.00 0.00 O ATOM 953 CB ASN A 64 -8.621 -12.373 -13.152 1.00 0.00 C ATOM 954 CG ASN A 64 -8.006 -12.981 -14.414 1.00 0.00 C ATOM 955 OD1 ASN A 64 -7.035 -12.487 -14.962 1.00 0.00 O ATOM 956 ND2 ASN A 64 -8.625 -14.078 -14.842 1.00 0.00 N ATOM 0 H ASN A 64 -6.293 -12.024 -11.687 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.920 -10.372 -13.526 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.599 -13.104 -12.344 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.668 -12.131 -13.334 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.291 -14.559 -15.677 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.433 -14.438 -14.335 1.00 0.00 H new ATOM 963 N ILE A 65 -7.910 -9.533 -10.906 1.00 0.00 N ATOM 964 CA ILE A 65 -8.413 -8.926 -9.685 1.00 0.00 C ATOM 965 C ILE A 65 -9.499 -7.908 -10.038 1.00 0.00 C ATOM 966 O ILE A 65 -9.344 -7.130 -10.978 1.00 0.00 O ATOM 967 CB ILE A 65 -7.263 -8.340 -8.864 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.247 -9.422 -8.493 1.00 0.00 C ATOM 969 CG2 ILE A 65 -7.789 -7.601 -7.632 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.089 -8.833 -7.685 1.00 0.00 C ATOM 0 H ILE A 65 -7.079 -9.086 -11.293 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.876 -9.679 -9.047 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.742 -7.607 -9.481 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.738 -10.204 -7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.862 -9.890 -9.399 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.951 -7.194 -7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.443 -6.788 -7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.349 -8.294 -7.004 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.381 -9.623 -7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.585 -8.068 -8.276 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.475 -8.387 -6.768 1.00 0.00 H new ATOM 982 N LYS A 66 -10.574 -7.945 -9.264 1.00 0.00 N ATOM 983 CA LYS A 66 -11.685 -7.034 -9.483 1.00 0.00 C ATOM 984 C LYS A 66 -11.459 -5.757 -8.671 1.00 0.00 C ATOM 985 O LYS A 66 -12.105 -5.547 -7.645 1.00 0.00 O ATOM 986 CB LYS A 66 -13.014 -7.729 -9.180 1.00 0.00 C ATOM 987 CG LYS A 66 -13.454 -8.606 -10.354 1.00 0.00 C ATOM 988 CD LYS A 66 -14.466 -7.873 -11.237 1.00 0.00 C ATOM 989 CE LYS A 66 -14.860 -8.727 -12.444 1.00 0.00 C ATOM 990 NZ LYS A 66 -13.956 -8.461 -13.585 1.00 0.00 N ATOM 0 H LYS A 66 -10.699 -8.591 -8.485 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.737 -6.740 -10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.913 -8.340 -8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.780 -6.982 -8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.585 -8.888 -10.948 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.896 -9.529 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.354 -7.630 -10.654 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.040 -6.929 -11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.819 -9.783 -12.178 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.889 -8.510 -12.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.238 -9.049 -14.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.016 -7.457 -13.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.978 -8.690 -13.314 1.00 0.00 H new ATOM 1004 N MET A 67 -10.541 -4.937 -9.160 1.00 0.00 N ATOM 1005 CA MET A 67 -10.222 -3.687 -8.493 1.00 0.00 C ATOM 1006 C MET A 67 -11.323 -2.649 -8.719 1.00 0.00 C ATOM 1007 O MET A 67 -11.953 -2.627 -9.776 1.00 0.00 O ATOM 1008 CB MET A 67 -8.894 -3.147 -9.027 1.00 0.00 C ATOM 1009 CG MET A 67 -7.739 -4.085 -8.672 1.00 0.00 C ATOM 1010 SD MET A 67 -7.543 -4.169 -6.900 1.00 0.00 S ATOM 1011 CE MET A 67 -6.584 -2.689 -6.623 1.00 0.00 C ATOM 0 H MET A 67 -10.008 -5.114 -10.011 1.00 0.00 H new ATOM 0 HA MET A 67 -10.142 -3.878 -7.423 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.953 -3.031 -10.109 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.705 -2.158 -8.610 1.00 0.00 H new ATOM 0 HG2 MET A 67 -7.932 -5.080 -9.072 1.00 0.00 H new ATOM 0 HG3 MET A 67 -6.817 -3.730 -9.132 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.007 -2.796 -5.705 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.906 -2.533 -7.462 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.253 -1.833 -6.533 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.522 -1.814 -7.710 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.536 -0.776 -7.786 1.00 0.00 C ATOM 1023 C LYS A 68 -11.987 0.513 -7.170 1.00 0.00 C ATOM 1024 O LYS A 68 -11.108 0.469 -6.310 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.841 -1.255 -7.148 1.00 0.00 C ATOM 1026 CG LYS A 68 -14.847 -0.108 -7.030 1.00 0.00 C ATOM 1027 CD LYS A 68 -16.257 -0.639 -6.763 1.00 0.00 C ATOM 1028 CE LYS A 68 -16.327 -1.352 -5.411 1.00 0.00 C ATOM 1029 NZ LYS A 68 -17.446 -2.320 -5.393 1.00 0.00 N ATOM 0 H LYS A 68 -10.998 -1.835 -6.835 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.778 -0.555 -8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.269 -2.059 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.637 -1.668 -6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.548 0.561 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.844 0.479 -7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.970 0.186 -6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.547 -1.328 -7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.388 -1.870 -5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.458 -0.620 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.479 -2.795 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.342 -1.818 -5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.304 -3.028 -6.141 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.528 1.630 -7.633 1.00 0.00 N ATOM 1044 CA ASN A 69 -12.104 2.929 -7.139 1.00 0.00 C ATOM 1045 C ASN A 69 -12.994 3.337 -5.963 1.00 0.00 C ATOM 1046 O ASN A 69 -14.202 3.504 -6.123 1.00 0.00 O ATOM 1047 CB ASN A 69 -12.232 4.000 -8.224 1.00 0.00 C ATOM 1048 CG ASN A 69 -13.565 3.874 -8.964 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -13.579 2.923 -9.895 1.00 0.00 O flip ATOM 1050 ND2 ASN A 69 -14.518 4.591 -8.708 1.00 0.00 N flip ATOM 0 H ASN A 69 -13.257 1.662 -8.346 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.061 2.850 -6.833 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.154 4.990 -7.774 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.409 3.906 -8.932 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.440 5.302 -7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.392 4.479 -9.221 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.362 3.487 -4.808 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.081 3.873 -3.606 1.00 0.00 C ATOM 1059 C GLY A 70 -12.925 2.817 -2.511 1.00 0.00 C ATOM 1060 O GLY A 70 -13.169 3.094 -1.337 1.00 0.00 O ATOM 0 H GLY A 70 -11.360 3.348 -4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.708 4.832 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.137 4.009 -3.838 1.00 0.00 H new ATOM 1064 N MET A 71 -12.520 1.628 -2.933 1.00 0.00 N ATOM 1065 CA MET A 71 -12.329 0.529 -2.002 1.00 0.00 C ATOM 1066 C MET A 71 -11.301 0.892 -0.928 1.00 0.00 C ATOM 1067 O MET A 71 -10.786 2.009 -0.910 1.00 0.00 O ATOM 1068 CB MET A 71 -11.854 -0.710 -2.765 1.00 0.00 C ATOM 1069 CG MET A 71 -10.428 -0.520 -3.285 1.00 0.00 C ATOM 1070 SD MET A 71 -9.450 -1.970 -2.928 1.00 0.00 S ATOM 1071 CE MET A 71 -10.534 -3.239 -3.562 1.00 0.00 C ATOM 0 H MET A 71 -12.319 1.402 -3.907 1.00 0.00 H new ATOM 0 HA MET A 71 -13.281 0.323 -1.512 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.893 -1.581 -2.111 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.526 -0.907 -3.600 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.445 -0.338 -4.360 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.977 0.357 -2.821 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.990 -4.181 -3.632 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.384 -3.360 -2.890 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.891 -2.952 -4.551 1.00 0.00 H new ATOM 1081 N THR A 72 -11.034 -0.072 -0.060 1.00 0.00 N ATOM 1082 CA THR A 72 -10.077 0.132 1.015 1.00 0.00 C ATOM 1083 C THR A 72 -8.972 -0.924 0.952 1.00 0.00 C ATOM 1084 O THR A 72 -9.246 -2.103 0.734 1.00 0.00 O ATOM 1085 CB THR A 72 -10.845 0.130 2.338 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.240 1.488 2.512 1.00 0.00 O ATOM 1087 CG2 THR A 72 -9.940 -0.152 3.539 1.00 0.00 C ATOM 0 H THR A 72 -11.464 -0.997 -0.079 1.00 0.00 H new ATOM 0 HA THR A 72 -9.571 1.093 0.918 1.00 0.00 H new ATOM 0 HB THR A 72 -11.637 -0.617 2.297 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.746 1.577 3.346 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.534 -0.142 4.453 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.472 -1.130 3.421 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.168 0.615 3.600 1.00 0.00 H new ATOM 1095 N VAL A 73 -7.745 -0.462 1.147 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.597 -1.352 1.116 1.00 0.00 C ATOM 1097 C VAL A 73 -6.087 -1.570 2.542 1.00 0.00 C ATOM 1098 O VAL A 73 -5.616 -0.634 3.186 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.527 -0.792 0.177 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.151 -1.379 0.501 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -5.897 -1.038 -1.287 1.00 0.00 C ATOM 0 H VAL A 73 -7.521 0.517 1.327 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.880 -2.327 0.720 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.477 0.286 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.409 -0.964 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.881 -1.129 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.182 -2.463 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.119 -0.630 -1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.990 -2.110 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.846 -0.550 -1.509 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.198 -2.811 2.992 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.754 -3.163 4.330 1.00 0.00 C ATOM 1113 C LEU A 74 -4.266 -3.517 4.292 1.00 0.00 C ATOM 1114 O LEU A 74 -3.848 -4.376 3.517 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.634 -4.271 4.912 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.635 -4.395 6.437 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.236 -4.729 6.961 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.205 -3.135 7.090 1.00 0.00 C ATOM 0 H LEU A 74 -6.589 -3.585 2.454 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.863 -2.313 5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.659 -4.106 4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.312 -5.223 4.490 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.288 -5.223 6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.265 -4.812 8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.904 -5.675 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.542 -3.938 6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.194 -3.250 8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.598 -2.274 6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.230 -2.982 6.752 1.00 0.00 H new ATOM 1130 N MET A 75 -3.507 -2.837 5.139 1.00 0.00 N ATOM 1131 CA MET A 75 -2.074 -3.069 5.212 1.00 0.00 C ATOM 1132 C MET A 75 -1.674 -3.601 6.590 1.00 0.00 C ATOM 1133 O MET A 75 -2.094 -3.062 7.613 1.00 0.00 O ATOM 1134 CB MET A 75 -1.331 -1.761 4.934 1.00 0.00 C ATOM 1135 CG MET A 75 -0.129 -1.998 4.016 1.00 0.00 C ATOM 1136 SD MET A 75 0.923 -0.556 4.004 1.00 0.00 S ATOM 1137 CE MET A 75 1.927 -0.892 5.441 1.00 0.00 C ATOM 0 H MET A 75 -3.857 -2.125 5.780 1.00 0.00 H new ATOM 0 HA MET A 75 -1.807 -3.815 4.464 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.010 -1.044 4.473 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.995 -1.323 5.874 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.434 -2.866 4.357 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.471 -2.217 3.005 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.658 -0.203 6.242 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.758 -1.917 5.772 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.979 -0.762 5.188 1.00 0.00 H new ATOM 1147 N MET A 76 -0.867 -4.651 6.572 1.00 0.00 N ATOM 1148 CA MET A 76 -0.406 -5.262 7.807 1.00 0.00 C ATOM 1149 C MET A 76 1.053 -5.707 7.687 1.00 0.00 C ATOM 1150 O MET A 76 1.362 -6.641 6.948 1.00 0.00 O ATOM 1151 CB MET A 76 -1.283 -6.471 8.138 1.00 0.00 C ATOM 1152 CG MET A 76 -2.675 -6.029 8.593 1.00 0.00 C ATOM 1153 SD MET A 76 -2.943 -6.507 10.292 1.00 0.00 S ATOM 1154 CE MET A 76 -2.156 -5.138 11.126 1.00 0.00 C ATOM 0 H MET A 76 -0.520 -5.095 5.721 1.00 0.00 H new ATOM 0 HA MET A 76 -0.477 -4.522 8.604 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.370 -7.113 7.261 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.811 -7.064 8.922 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.774 -4.948 8.491 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.435 -6.480 7.955 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.232 -5.277 12.204 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.105 -5.092 10.839 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.650 -4.208 10.844 1.00 0.00 H new ATOM 1164 N GLY A 77 1.912 -5.017 8.424 1.00 0.00 N ATOM 1165 CA GLY A 77 3.330 -5.330 8.410 1.00 0.00 C ATOM 1166 C GLY A 77 4.124 -4.315 9.234 1.00 0.00 C ATOM 1167 O GLY A 77 3.811 -3.125 9.229 1.00 0.00 O ATOM 0 H GLY A 77 1.652 -4.242 9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.489 -6.332 8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.695 -5.335 7.383 1.00 0.00 H new ATOM 1171 N SER A 78 5.136 -4.821 9.923 1.00 0.00 N ATOM 1172 CA SER A 78 5.977 -3.973 10.751 1.00 0.00 C ATOM 1173 C SER A 78 7.151 -3.439 9.929 1.00 0.00 C ATOM 1174 O SER A 78 7.474 -3.982 8.874 1.00 0.00 O ATOM 1175 CB SER A 78 6.489 -4.734 11.976 1.00 0.00 C ATOM 1176 OG SER A 78 7.244 -5.886 11.612 1.00 0.00 O ATOM 0 H SER A 78 5.393 -5.808 9.925 1.00 0.00 H new ATOM 0 HA SER A 78 5.377 -3.134 11.103 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.108 -4.072 12.582 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.644 -5.035 12.595 1.00 0.00 H new ATOM 0 HG SER A 78 7.554 -6.343 12.422 1.00 0.00 H new ATOM 1182 N ALA A 79 7.759 -2.380 10.444 1.00 0.00 N ATOM 1183 CA ALA A 79 8.891 -1.766 9.771 1.00 0.00 C ATOM 1184 C ALA A 79 10.109 -1.801 10.696 1.00 0.00 C ATOM 1185 O ALA A 79 10.355 -0.853 11.441 1.00 0.00 O ATOM 1186 CB ALA A 79 8.522 -0.343 9.346 1.00 0.00 C ATOM 0 H ALA A 79 7.489 -1.932 11.319 1.00 0.00 H new ATOM 0 HA ALA A 79 9.147 -2.320 8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.371 0.118 8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.670 -0.375 8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.262 0.244 10.227 1.00 0.00 H new ATOM 1192 N ASP A 80 10.840 -2.903 10.618 1.00 0.00 N ATOM 1193 CA ASP A 80 12.027 -3.074 11.439 1.00 0.00 C ATOM 1194 C ASP A 80 12.882 -1.808 11.361 1.00 0.00 C ATOM 1195 O ASP A 80 13.426 -1.485 10.306 1.00 0.00 O ATOM 1196 CB ASP A 80 12.874 -4.248 10.944 1.00 0.00 C ATOM 1197 CG ASP A 80 12.082 -5.493 10.540 1.00 0.00 C ATOM 1198 OD1 ASP A 80 11.002 -5.696 11.135 1.00 0.00 O ATOM 1199 OD2 ASP A 80 12.574 -6.213 9.644 1.00 0.00 O ATOM 0 H ASP A 80 10.633 -3.687 9.999 1.00 0.00 H new ATOM 0 HA ASP A 80 11.705 -3.268 12.462 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.462 -3.917 10.088 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.579 -4.523 11.728 1.00 0.00 H new ATOM 1204 N ALA A 81 12.974 -1.124 12.492 1.00 0.00 N ATOM 1205 CA ALA A 81 13.754 0.100 12.566 1.00 0.00 C ATOM 1206 C ALA A 81 13.356 1.023 11.413 1.00 0.00 C ATOM 1207 O ALA A 81 14.160 1.289 10.520 1.00 0.00 O ATOM 1208 CB ALA A 81 15.245 -0.243 12.551 1.00 0.00 C ATOM 0 H ALA A 81 12.521 -1.394 13.365 1.00 0.00 H new ATOM 0 HA ALA A 81 13.551 0.629 13.497 1.00 0.00 H new ATOM 0 HB1 ALA A 81 15.830 0.675 12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.481 -0.876 13.406 1.00 0.00 H new ATOM 0 HB3 ALA A 81 15.487 -0.773 11.630 1.00 0.00 H new ATOM 1214 N LEU A 82 12.116 1.486 11.468 1.00 0.00 N ATOM 1215 CA LEU A 82 11.601 2.373 10.439 1.00 0.00 C ATOM 1216 C LEU A 82 12.471 3.631 10.375 1.00 0.00 C ATOM 1217 O LEU A 82 13.113 3.996 11.359 1.00 0.00 O ATOM 1218 CB LEU A 82 10.118 2.663 10.674 1.00 0.00 C ATOM 1219 CG LEU A 82 9.800 3.723 11.731 1.00 0.00 C ATOM 1220 CD1 LEU A 82 9.112 4.936 11.102 1.00 0.00 C ATOM 1221 CD2 LEU A 82 8.978 3.127 12.875 1.00 0.00 C ATOM 0 H LEU A 82 11.452 1.263 12.210 1.00 0.00 H new ATOM 0 HA LEU A 82 11.657 1.895 9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.676 2.977 9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.628 1.733 10.962 1.00 0.00 H new ATOM 0 HG LEU A 82 10.740 4.072 12.158 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.897 5.674 11.875 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.767 5.377 10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.180 4.622 10.631 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.766 3.901 13.612 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.041 2.733 12.483 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.541 2.322 13.346 1.00 0.00 H new ATOM 1233 N PRO A 83 12.463 4.275 9.177 1.00 0.00 N ATOM 1234 CA PRO A 83 13.243 5.483 8.972 1.00 0.00 C ATOM 1235 C PRO A 83 12.587 6.682 9.660 1.00 0.00 C ATOM 1236 O PRO A 83 11.379 6.884 9.545 1.00 0.00 O ATOM 1237 CB PRO A 83 13.335 5.641 7.463 1.00 0.00 C ATOM 1238 CG PRO A 83 12.220 4.784 6.886 1.00 0.00 C ATOM 1239 CD PRO A 83 11.715 3.870 7.991 1.00 0.00 C ATOM 0 HA PRO A 83 14.238 5.422 9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.216 6.685 7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.308 5.316 7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.412 5.411 6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.586 4.198 6.043 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.642 3.986 8.141 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.892 2.822 7.750 1.00 0.00 H new ATOM 1247 N GLU A 84 13.412 7.447 10.360 1.00 0.00 N ATOM 1248 CA GLU A 84 12.928 8.620 11.066 1.00 0.00 C ATOM 1249 C GLU A 84 12.165 9.538 10.109 1.00 0.00 C ATOM 1250 O GLU A 84 12.584 9.739 8.970 1.00 0.00 O ATOM 1251 CB GLU A 84 14.079 9.368 11.742 1.00 0.00 C ATOM 1252 CG GLU A 84 13.802 9.568 13.234 1.00 0.00 C ATOM 1253 CD GLU A 84 14.168 8.315 14.032 1.00 0.00 C ATOM 1254 OE1 GLU A 84 13.445 7.308 13.871 1.00 0.00 O ATOM 1255 OE2 GLU A 84 15.162 8.392 14.785 1.00 0.00 O ATOM 0 H GLU A 84 14.413 7.277 10.453 1.00 0.00 H new ATOM 0 HA GLU A 84 12.243 8.292 11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.006 8.810 11.612 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.220 10.336 11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.375 10.419 13.603 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.748 9.804 13.384 1.00 0.00 H new ATOM 1262 N GLU A 85 11.059 10.071 10.607 1.00 0.00 N ATOM 1263 CA GLU A 85 10.234 10.963 9.810 1.00 0.00 C ATOM 1264 C GLU A 85 9.235 11.702 10.703 1.00 0.00 C ATOM 1265 O GLU A 85 8.780 11.162 11.710 1.00 0.00 O ATOM 1266 CB GLU A 85 9.513 10.197 8.698 1.00 0.00 C ATOM 1267 CG GLU A 85 9.643 10.924 7.358 1.00 0.00 C ATOM 1268 CD GLU A 85 10.168 9.983 6.272 1.00 0.00 C ATOM 1269 OE1 GLU A 85 11.329 9.543 6.416 1.00 0.00 O ATOM 1270 OE2 GLU A 85 9.397 9.725 5.323 1.00 0.00 O ATOM 0 H GLU A 85 10.715 9.902 11.552 1.00 0.00 H new ATOM 0 HA GLU A 85 10.883 11.700 9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.930 9.194 8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.459 10.084 8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.673 11.323 7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.317 11.774 7.465 1.00 0.00 H new ATOM 1277 N PRO A 86 8.915 12.958 10.291 1.00 0.00 N ATOM 1278 CA PRO A 86 7.979 13.777 11.042 1.00 0.00 C ATOM 1279 C PRO A 86 6.540 13.302 10.826 1.00 0.00 C ATOM 1280 O PRO A 86 6.274 12.503 9.930 1.00 0.00 O ATOM 1281 CB PRO A 86 8.216 15.196 10.553 1.00 0.00 C ATOM 1282 CG PRO A 86 8.942 15.063 9.224 1.00 0.00 C ATOM 1283 CD PRO A 86 9.435 13.630 9.104 1.00 0.00 C ATOM 0 HA PRO A 86 8.133 13.711 12.119 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.273 15.730 10.431 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.812 15.761 11.269 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.274 15.307 8.398 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.779 15.760 9.174 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.069 13.161 8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.524 13.587 9.070 1.00 0.00 H new ATOM 1291 N SER A 87 5.650 13.815 11.663 1.00 0.00 N ATOM 1292 CA SER A 87 4.245 13.454 11.575 1.00 0.00 C ATOM 1293 C SER A 87 3.404 14.418 12.413 1.00 0.00 C ATOM 1294 O SER A 87 3.684 14.628 13.592 1.00 0.00 O ATOM 1295 CB SER A 87 4.017 12.012 12.034 1.00 0.00 C ATOM 1296 OG SER A 87 3.077 11.331 11.208 1.00 0.00 O ATOM 0 H SER A 87 5.874 14.478 12.405 1.00 0.00 H new ATOM 0 HA SER A 87 3.937 13.527 10.532 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.965 11.474 12.024 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.661 12.011 13.064 1.00 0.00 H new ATOM 0 HG SER A 87 2.960 10.414 11.533 1.00 0.00 H new ATOM 1302 N ALA A 88 2.388 14.978 11.772 1.00 0.00 N ATOM 1303 CA ALA A 88 1.504 15.915 12.444 1.00 0.00 C ATOM 1304 C ALA A 88 0.178 15.991 11.685 1.00 0.00 C ATOM 1305 O ALA A 88 0.058 15.460 10.582 1.00 0.00 O ATOM 1306 CB ALA A 88 2.192 17.277 12.555 1.00 0.00 C ATOM 0 H ALA A 88 2.158 14.801 10.794 1.00 0.00 H new ATOM 0 HA ALA A 88 1.285 15.578 13.457 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.529 17.980 13.059 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.114 17.173 13.128 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.425 17.650 11.557 1.00 0.00 H new ATOM 1312 N LYS A 89 -0.785 16.657 12.306 1.00 0.00 N ATOM 1313 CA LYS A 89 -2.098 16.810 11.702 1.00 0.00 C ATOM 1314 C LYS A 89 -1.968 17.606 10.402 1.00 0.00 C ATOM 1315 O LYS A 89 -1.263 18.613 10.355 1.00 0.00 O ATOM 1316 CB LYS A 89 -3.079 17.423 12.703 1.00 0.00 C ATOM 1317 CG LYS A 89 -3.433 16.424 13.806 1.00 0.00 C ATOM 1318 CD LYS A 89 -4.159 17.117 14.962 1.00 0.00 C ATOM 1319 CE LYS A 89 -5.384 16.313 15.401 1.00 0.00 C ATOM 1320 NZ LYS A 89 -5.036 15.409 16.520 1.00 0.00 N ATOM 0 H LYS A 89 -0.682 17.096 13.221 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.512 15.837 11.439 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.641 18.318 13.145 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.986 17.734 12.185 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.063 15.634 13.397 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.525 15.948 14.176 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.478 17.237 15.804 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.467 18.117 14.656 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.181 16.991 15.707 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.765 15.732 14.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.878 14.870 16.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.291 14.750 16.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.694 15.970 17.326 1.00 0.00 H new ATOM 1334 N THR A 90 -2.658 17.125 9.379 1.00 0.00 N ATOM 1335 CA THR A 90 -2.628 17.779 8.082 1.00 0.00 C ATOM 1336 C THR A 90 -3.790 18.766 7.956 1.00 0.00 C ATOM 1337 O THR A 90 -3.576 19.956 7.727 1.00 0.00 O ATOM 1338 CB THR A 90 -2.634 16.693 7.004 1.00 0.00 C ATOM 1339 OG1 THR A 90 -1.337 16.109 7.093 1.00 0.00 O ATOM 1340 CG2 THR A 90 -2.686 17.272 5.589 1.00 0.00 C ATOM 0 H THR A 90 -3.242 16.290 9.422 1.00 0.00 H new ATOM 0 HA THR A 90 -1.722 18.373 7.960 1.00 0.00 H new ATOM 0 HB THR A 90 -3.489 16.034 7.157 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.254 15.393 6.429 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.688 16.459 4.863 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.593 17.866 5.472 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.814 17.905 5.422 1.00 0.00 H new ATOM 1348 N SER A 91 -4.994 18.236 8.111 1.00 0.00 N ATOM 1349 CA SER A 91 -6.190 19.056 8.017 1.00 0.00 C ATOM 1350 C SER A 91 -7.432 18.203 8.283 1.00 0.00 C ATOM 1351 O SER A 91 -8.154 18.436 9.252 1.00 0.00 O ATOM 1352 CB SER A 91 -6.292 19.728 6.646 1.00 0.00 C ATOM 1353 OG SER A 91 -6.970 20.979 6.713 1.00 0.00 O ATOM 0 H SER A 91 -5.167 17.249 8.301 1.00 0.00 H new ATOM 0 HA SER A 91 -6.126 19.840 8.772 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.291 19.879 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.818 19.067 5.957 1.00 0.00 H new ATOM 0 HG SER A 91 -7.013 21.376 5.818 1.00 0.00 H new ATOM 1359 N GLY A 92 -7.642 17.232 7.407 1.00 0.00 N ATOM 1360 CA GLY A 92 -8.784 16.342 7.536 1.00 0.00 C ATOM 1361 C GLY A 92 -9.039 15.985 9.001 1.00 0.00 C ATOM 1362 O GLY A 92 -8.374 15.112 9.556 1.00 0.00 O ATOM 0 H GLY A 92 -7.041 17.042 6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.670 16.818 7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.607 15.432 6.962 1.00 0.00 H new ATOM 1366 N PRO A 93 -10.029 16.697 9.603 1.00 0.00 N ATOM 1367 CA PRO A 93 -10.380 16.464 10.993 1.00 0.00 C ATOM 1368 C PRO A 93 -11.173 15.165 11.148 1.00 0.00 C ATOM 1369 O PRO A 93 -10.816 14.309 11.956 1.00 0.00 O ATOM 1370 CB PRO A 93 -11.168 17.695 11.411 1.00 0.00 C ATOM 1371 CG PRO A 93 -11.627 18.354 10.121 1.00 0.00 C ATOM 1372 CD PRO A 93 -10.838 17.739 8.977 1.00 0.00 C ATOM 0 HA PRO A 93 -9.506 16.331 11.631 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.019 17.421 12.034 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -10.549 18.374 11.998 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.696 18.200 9.973 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.462 19.431 10.163 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.500 17.323 8.218 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.213 18.482 8.483 1.00 0.00 H new ATOM 1380 N SER A 94 -12.234 15.059 10.362 1.00 0.00 N ATOM 1381 CA SER A 94 -13.080 13.879 10.402 1.00 0.00 C ATOM 1382 C SER A 94 -13.571 13.539 8.993 1.00 0.00 C ATOM 1383 O SER A 94 -13.718 14.425 8.153 1.00 0.00 O ATOM 1384 CB SER A 94 -14.269 14.085 11.343 1.00 0.00 C ATOM 1385 OG SER A 94 -14.561 12.913 12.099 1.00 0.00 O ATOM 0 H SER A 94 -12.527 15.771 9.693 1.00 0.00 H new ATOM 0 HA SER A 94 -12.489 13.047 10.785 1.00 0.00 H new ATOM 0 HB2 SER A 94 -14.055 14.910 12.022 1.00 0.00 H new ATOM 0 HB3 SER A 94 -15.146 14.369 10.762 1.00 0.00 H new ATOM 0 HG SER A 94 -15.325 13.086 12.688 1.00 0.00 H new ATOM 1391 N SER A 95 -13.810 12.254 8.778 1.00 0.00 N ATOM 1392 CA SER A 95 -14.281 11.786 7.486 1.00 0.00 C ATOM 1393 C SER A 95 -15.572 10.982 7.659 1.00 0.00 C ATOM 1394 O SER A 95 -15.665 10.133 8.544 1.00 0.00 O ATOM 1395 CB SER A 95 -13.218 10.938 6.786 1.00 0.00 C ATOM 1396 OG SER A 95 -12.135 11.729 6.304 1.00 0.00 O ATOM 0 H SER A 95 -13.686 11.522 9.477 1.00 0.00 H new ATOM 0 HA SER A 95 -14.483 12.656 6.861 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.838 10.188 7.480 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.673 10.401 5.954 1.00 0.00 H new ATOM 0 HG SER A 95 -11.477 11.150 5.865 1.00 0.00 H new ATOM 1402 N GLY A 96 -16.536 11.279 6.799 1.00 0.00 N ATOM 1403 CA GLY A 96 -17.817 10.595 6.846 1.00 0.00 C ATOM 1404 C GLY A 96 -18.972 11.597 6.903 1.00 0.00 C ATOM 1405 O GLY A 96 -19.085 12.365 7.857 1.00 0.00 O ATOM 0 H GLY A 96 -16.455 11.984 6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.926 9.959 5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.853 9.943 7.719 1.00 0.00 H new TER 1409 GLY A 96