USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 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 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 50 LYS NZ :NH3+ -143:sc= 0 (180deg=0) USER MOD Single : A 1 THR N :NH3+ -146:sc= 0 (180deg=-0.817) USER MOD Single : A 1 THR OG1 : rot 37:sc= 0.772 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 78:sc= 1.04 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 17:sc= 0.11 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 80:sc= 0.216 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -20.929 3.102 -17.721 1.00 0.00 N ATOM 2 CA THR A 1 -20.747 2.277 -16.504 1.00 0.00 C ATOM 3 C THR A 1 -19.630 1.213 -16.788 1.00 0.00 C ATOM 4 O THR A 1 -19.973 0.107 -17.218 1.00 0.00 O ATOM 5 CB THR A 1 -22.124 1.675 -16.023 1.00 0.00 C ATOM 6 OG1 THR A 1 -22.627 0.734 -16.970 1.00 0.00 O ATOM 7 CG2 THR A 1 -23.301 2.637 -15.712 1.00 0.00 C ATOM 0 H1 THR A 1 -21.168 4.076 -17.447 1.00 0.00 H new ATOM 0 H2 THR A 1 -20.048 3.104 -18.274 1.00 0.00 H new ATOM 0 H3 THR A 1 -21.699 2.706 -18.297 1.00 0.00 H new ATOM 0 HA THR A 1 -20.406 2.882 -15.664 1.00 0.00 H new ATOM 0 HB THR A 1 -21.827 1.249 -15.065 1.00 0.00 H new ATOM 0 HG1 THR A 1 -21.882 0.226 -17.354 1.00 0.00 H new ATOM 0 HG21 THR A 1 -24.169 2.059 -15.395 1.00 0.00 H new ATOM 0 HG22 THR A 1 -23.010 3.322 -14.915 1.00 0.00 H new ATOM 0 HG23 THR A 1 -23.551 3.207 -16.607 1.00 0.00 H new ATOM 17 N PRO A 2 -18.301 1.460 -16.532 1.00 0.00 N ATOM 18 CA PRO A 2 -17.246 0.403 -16.581 1.00 0.00 C ATOM 19 C PRO A 2 -17.290 -0.537 -15.327 1.00 0.00 C ATOM 20 O PRO A 2 -16.561 -0.353 -14.347 1.00 0.00 O ATOM 21 CB PRO A 2 -15.929 1.234 -16.693 1.00 0.00 C ATOM 22 CG PRO A 2 -16.318 2.707 -16.856 1.00 0.00 C ATOM 23 CD PRO A 2 -17.747 2.814 -16.334 1.00 0.00 C ATOM 0 HA PRO A 2 -17.365 -0.294 -17.410 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -15.314 1.097 -15.803 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.337 0.899 -17.544 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -15.646 3.355 -16.293 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -16.258 3.015 -17.900 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.768 3.104 -15.284 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -18.318 3.563 -16.883 1.00 0.00 H new ATOM 31 N ASP A 3 -18.211 -1.516 -15.365 1.00 0.00 N ATOM 32 CA ASP A 3 -18.614 -2.341 -14.190 1.00 0.00 C ATOM 33 C ASP A 3 -19.748 -3.309 -14.627 1.00 0.00 C ATOM 34 O ASP A 3 -20.605 -2.963 -15.449 1.00 0.00 O ATOM 35 CB ASP A 3 -19.043 -1.538 -12.912 1.00 0.00 C ATOM 36 CG ASP A 3 -20.182 -0.513 -13.075 1.00 0.00 C ATOM 37 OD1 ASP A 3 -21.365 -0.894 -12.942 1.00 0.00 O ATOM 38 OD2 ASP A 3 -19.890 0.674 -13.342 1.00 0.00 O ATOM 0 H ASP A 3 -18.709 -1.767 -16.219 1.00 0.00 H new ATOM 0 HA ASP A 3 -17.719 -2.880 -13.879 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -19.340 -2.255 -12.146 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -18.167 -1.012 -12.533 1.00 0.00 H new ATOM 43 N VAL A 4 -19.761 -4.511 -14.018 1.00 0.00 N ATOM 44 CA VAL A 4 -20.819 -5.532 -14.255 1.00 0.00 C ATOM 45 C VAL A 4 -21.616 -5.744 -12.930 1.00 0.00 C ATOM 46 O VAL A 4 -22.143 -4.776 -12.370 1.00 0.00 O ATOM 47 CB VAL A 4 -20.219 -6.741 -15.069 1.00 0.00 C ATOM 48 CG1 VAL A 4 -19.175 -7.619 -14.334 1.00 0.00 C ATOM 49 CG2 VAL A 4 -21.313 -7.619 -15.717 1.00 0.00 C ATOM 0 H VAL A 4 -19.048 -4.807 -13.352 1.00 0.00 H new ATOM 0 HA VAL A 4 -21.619 -5.233 -14.932 1.00 0.00 H new ATOM 0 HB VAL A 4 -19.651 -6.238 -15.851 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -18.838 -8.416 -14.997 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -18.323 -7.004 -14.043 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.629 -8.055 -13.444 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -20.846 -8.437 -16.265 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -21.960 -8.026 -14.940 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -21.906 -7.014 -16.403 1.00 0.00 H new ATOM 59 N SER A 5 -21.802 -7.003 -12.491 1.00 0.00 N ATOM 60 CA SER A 5 -22.908 -7.419 -11.571 1.00 0.00 C ATOM 61 C SER A 5 -24.335 -7.024 -12.087 1.00 0.00 C ATOM 62 O SER A 5 -25.088 -6.310 -11.417 1.00 0.00 O ATOM 63 CB SER A 5 -22.631 -7.020 -10.098 1.00 0.00 C ATOM 64 OG SER A 5 -21.411 -7.582 -9.627 1.00 0.00 O ATOM 0 H SER A 5 -21.191 -7.775 -12.759 1.00 0.00 H new ATOM 0 HA SER A 5 -22.918 -8.509 -11.580 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.588 -5.934 -10.016 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.455 -7.355 -9.468 1.00 0.00 H new ATOM 0 HG SER A 5 -21.264 -7.311 -8.697 1.00 0.00 H new ATOM 70 N SER A 6 -24.661 -7.459 -13.325 1.00 0.00 N ATOM 71 CA SER A 6 -25.812 -6.947 -14.124 1.00 0.00 C ATOM 72 C SER A 6 -25.833 -5.391 -14.330 1.00 0.00 C ATOM 73 O SER A 6 -26.770 -4.705 -13.910 1.00 0.00 O ATOM 74 CB SER A 6 -27.148 -7.572 -13.657 1.00 0.00 C ATOM 75 OG SER A 6 -28.189 -7.307 -14.591 1.00 0.00 O ATOM 0 H SER A 6 -24.130 -8.184 -13.808 1.00 0.00 H new ATOM 0 HA SER A 6 -25.660 -7.300 -15.144 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.028 -8.649 -13.537 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.420 -7.171 -12.681 1.00 0.00 H new ATOM 0 HG SER A 6 -29.023 -7.713 -14.275 1.00 0.00 H new ATOM 81 N ALA A 7 -24.782 -4.855 -14.980 1.00 0.00 N ATOM 82 CA ALA A 7 -24.672 -3.418 -15.358 1.00 0.00 C ATOM 83 C ALA A 7 -24.097 -3.250 -16.794 1.00 0.00 C ATOM 84 O ALA A 7 -24.674 -2.494 -17.576 1.00 0.00 O ATOM 85 CB ALA A 7 -23.871 -2.621 -14.313 1.00 0.00 C ATOM 0 H ALA A 7 -23.973 -5.407 -15.264 1.00 0.00 H new ATOM 0 HA ALA A 7 -25.679 -3.000 -15.370 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -23.810 -1.577 -14.620 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -24.369 -2.686 -13.346 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -22.866 -3.035 -14.232 1.00 0.00 H new ATOM 91 N LEU A 8 -23.031 -3.987 -17.188 1.00 0.00 N ATOM 92 CA LEU A 8 -22.760 -4.298 -18.624 1.00 0.00 C ATOM 93 C LEU A 8 -23.841 -5.179 -19.347 1.00 0.00 C ATOM 94 O LEU A 8 -23.932 -5.106 -20.574 1.00 0.00 O ATOM 95 CB LEU A 8 -21.323 -4.903 -18.788 1.00 0.00 C ATOM 96 CG LEU A 8 -20.267 -4.069 -19.568 1.00 0.00 C ATOM 97 CD1 LEU A 8 -20.672 -3.770 -21.026 1.00 0.00 C ATOM 98 CD2 LEU A 8 -19.847 -2.788 -18.825 1.00 0.00 C ATOM 0 H LEU A 8 -22.346 -4.378 -16.541 1.00 0.00 H new ATOM 0 HA LEU A 8 -22.821 -3.339 -19.138 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -20.926 -5.097 -17.792 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -21.421 -5.868 -19.286 1.00 0.00 H new ATOM 0 HG LEU A 8 -19.389 -4.712 -19.619 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -19.889 -3.185 -21.509 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -20.809 -4.707 -21.565 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -21.605 -3.206 -21.036 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.109 -2.249 -19.418 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -20.720 -2.155 -18.669 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -19.414 -3.052 -17.860 1.00 0.00 H new ATOM 110 N ASP A 9 -24.672 -5.968 -18.625 1.00 0.00 N ATOM 111 CA ASP A 9 -25.931 -6.550 -19.171 1.00 0.00 C ATOM 112 C ASP A 9 -27.035 -5.478 -19.472 1.00 0.00 C ATOM 113 O ASP A 9 -27.573 -5.464 -20.582 1.00 0.00 O ATOM 114 CB ASP A 9 -26.439 -7.654 -18.199 1.00 0.00 C ATOM 115 CG ASP A 9 -27.504 -8.587 -18.792 1.00 0.00 C ATOM 116 OD1 ASP A 9 -27.138 -9.575 -19.465 1.00 0.00 O ATOM 117 OD2 ASP A 9 -28.712 -8.331 -18.589 1.00 0.00 O ATOM 0 H ASP A 9 -24.494 -6.220 -17.653 1.00 0.00 H new ATOM 0 HA ASP A 9 -25.705 -6.993 -20.141 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -25.589 -8.254 -17.876 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -26.849 -7.176 -17.309 1.00 0.00 H new ATOM 122 N LYS A 10 -27.381 -4.617 -18.489 1.00 0.00 N ATOM 123 CA LYS A 10 -28.511 -3.651 -18.598 1.00 0.00 C ATOM 124 C LYS A 10 -28.191 -2.403 -19.477 1.00 0.00 C ATOM 125 O LYS A 10 -28.944 -2.119 -20.414 1.00 0.00 O ATOM 126 CB LYS A 10 -29.016 -3.240 -17.182 1.00 0.00 C ATOM 127 CG LYS A 10 -29.486 -4.366 -16.225 1.00 0.00 C ATOM 128 CD LYS A 10 -30.618 -5.292 -16.720 1.00 0.00 C ATOM 129 CE LYS A 10 -31.968 -4.585 -16.950 1.00 0.00 C ATOM 130 NZ LYS A 10 -33.008 -5.539 -17.377 1.00 0.00 N ATOM 0 H LYS A 10 -26.889 -4.568 -17.597 1.00 0.00 H new ATOM 0 HA LYS A 10 -29.312 -4.172 -19.122 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -28.214 -2.693 -16.687 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -29.844 -2.543 -17.311 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -28.623 -4.987 -15.986 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -29.813 -3.902 -15.294 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -30.305 -5.761 -17.653 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -30.760 -6.091 -15.993 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -32.282 -4.089 -16.032 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -31.850 -3.810 -17.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -33.904 -5.033 -17.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -32.718 -5.994 -18.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -33.136 -6.264 -16.643 1.00 0.00 H new ATOM 144 N LEU A 11 -27.089 -1.679 -19.190 1.00 0.00 N ATOM 145 CA LEU A 11 -26.620 -0.525 -20.006 1.00 0.00 C ATOM 146 C LEU A 11 -26.059 -0.967 -21.394 1.00 0.00 C ATOM 147 O LEU A 11 -26.565 -0.472 -22.404 1.00 0.00 O ATOM 148 CB LEU A 11 -25.612 0.356 -19.207 1.00 0.00 C ATOM 149 CG LEU A 11 -26.102 1.202 -17.995 1.00 0.00 C ATOM 150 CD1 LEU A 11 -27.240 2.182 -18.344 1.00 0.00 C ATOM 151 CD2 LEU A 11 -26.435 0.387 -16.731 1.00 0.00 C ATOM 0 H LEU A 11 -26.494 -1.874 -18.385 1.00 0.00 H new ATOM 0 HA LEU A 11 -27.490 0.096 -20.222 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -24.824 -0.303 -18.844 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -25.151 1.044 -19.916 1.00 0.00 H new ATOM 0 HG LEU A 11 -25.226 1.800 -17.743 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -27.529 2.737 -17.451 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -26.898 2.879 -19.109 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -28.098 1.624 -18.719 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -26.767 1.060 -15.941 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -27.227 -0.327 -16.957 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -25.546 -0.150 -16.400 1.00 0.00 H new ATOM 163 N LYS A 12 -25.079 -1.903 -21.438 1.00 0.00 N ATOM 164 CA LYS A 12 -24.626 -2.622 -22.665 1.00 0.00 C ATOM 165 C LYS A 12 -23.878 -1.763 -23.722 1.00 0.00 C ATOM 166 O LYS A 12 -22.650 -1.831 -23.804 1.00 0.00 O ATOM 167 CB LYS A 12 -25.589 -3.727 -23.199 1.00 0.00 C ATOM 168 CG LYS A 12 -26.983 -3.313 -23.722 1.00 0.00 C ATOM 169 CD LYS A 12 -27.802 -4.505 -24.256 1.00 0.00 C ATOM 170 CE LYS A 12 -29.204 -4.085 -24.730 1.00 0.00 C ATOM 171 NZ LYS A 12 -29.971 -5.240 -25.231 1.00 0.00 N ATOM 0 H LYS A 12 -24.567 -2.189 -20.604 1.00 0.00 H new ATOM 0 HA LYS A 12 -23.804 -3.232 -22.290 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -25.076 -4.249 -24.006 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -25.739 -4.449 -22.397 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -27.538 -2.828 -22.918 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -26.863 -2.576 -24.516 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -27.266 -4.970 -25.083 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -27.896 -5.258 -23.473 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -29.743 -3.618 -23.906 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -29.114 -3.337 -25.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -30.911 -4.923 -25.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -29.467 -5.670 -26.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -30.077 -5.942 -24.471 1.00 0.00 H new ATOM 185 N GLU A 13 -24.606 -0.949 -24.500 1.00 0.00 N ATOM 186 CA GLU A 13 -24.008 0.106 -25.368 1.00 0.00 C ATOM 187 C GLU A 13 -23.430 1.321 -24.574 1.00 0.00 C ATOM 188 O GLU A 13 -22.277 1.685 -24.810 1.00 0.00 O ATOM 189 CB GLU A 13 -24.973 0.497 -26.521 1.00 0.00 C ATOM 190 CG GLU A 13 -26.334 1.128 -26.138 1.00 0.00 C ATOM 191 CD GLU A 13 -27.223 1.399 -27.352 1.00 0.00 C ATOM 192 OE1 GLU A 13 -27.132 2.502 -27.935 1.00 0.00 O ATOM 193 OE2 GLU A 13 -28.018 0.510 -27.730 1.00 0.00 O ATOM 0 H GLU A 13 -25.624 -0.994 -24.554 1.00 0.00 H new ATOM 0 HA GLU A 13 -23.126 -0.329 -25.839 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -24.450 1.197 -27.173 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -25.172 -0.398 -27.110 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -26.857 0.463 -25.451 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -26.159 2.063 -25.605 1.00 0.00 H new ATOM 200 N PHE A 14 -24.184 1.896 -23.610 1.00 0.00 N ATOM 201 CA PHE A 14 -23.640 2.878 -22.624 1.00 0.00 C ATOM 202 C PHE A 14 -22.541 2.296 -21.669 1.00 0.00 C ATOM 203 O PHE A 14 -21.542 2.981 -21.436 1.00 0.00 O ATOM 204 CB PHE A 14 -24.822 3.554 -21.866 1.00 0.00 C ATOM 205 CG PHE A 14 -24.433 4.720 -20.934 1.00 0.00 C ATOM 206 CD1 PHE A 14 -24.242 6.006 -21.452 1.00 0.00 C ATOM 207 CD2 PHE A 14 -24.247 4.498 -19.564 1.00 0.00 C ATOM 208 CE1 PHE A 14 -23.872 7.054 -20.612 1.00 0.00 C ATOM 209 CE2 PHE A 14 -23.879 5.548 -18.726 1.00 0.00 C ATOM 210 CZ PHE A 14 -23.692 6.824 -19.250 1.00 0.00 C ATOM 0 H PHE A 14 -25.178 1.700 -23.488 1.00 0.00 H new ATOM 0 HA PHE A 14 -23.099 3.641 -23.183 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -25.538 3.922 -22.600 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -25.333 2.794 -21.275 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -24.382 6.187 -22.508 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.389 3.508 -19.155 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -23.725 8.044 -21.017 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -23.739 5.372 -17.670 1.00 0.00 H new ATOM 0 HZ PHE A 14 -23.407 7.637 -18.599 1.00 0.00 H new ATOM 220 N GLY A 15 -22.699 1.058 -21.155 1.00 0.00 N ATOM 221 CA GLY A 15 -21.625 0.351 -20.400 1.00 0.00 C ATOM 222 C GLY A 15 -20.268 0.167 -21.126 1.00 0.00 C ATOM 223 O GLY A 15 -19.226 0.494 -20.553 1.00 0.00 O ATOM 0 H GLY A 15 -23.561 0.520 -21.246 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -21.444 0.897 -19.474 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.998 -0.635 -20.121 1.00 0.00 H new ATOM 227 N ASN A 16 -20.299 -0.326 -22.378 1.00 0.00 N ATOM 228 CA ASN A 16 -19.090 -0.482 -23.234 1.00 0.00 C ATOM 229 C ASN A 16 -18.423 0.842 -23.746 1.00 0.00 C ATOM 230 O ASN A 16 -17.203 0.830 -23.940 1.00 0.00 O ATOM 231 CB ASN A 16 -19.462 -1.419 -24.421 1.00 0.00 C ATOM 232 CG ASN A 16 -18.265 -2.004 -25.198 1.00 0.00 C ATOM 233 OD1 ASN A 16 -17.833 -1.457 -26.212 1.00 0.00 O ATOM 234 ND2 ASN A 16 -17.703 -3.114 -24.738 1.00 0.00 N ATOM 0 H ASN A 16 -21.160 -0.630 -22.833 1.00 0.00 H new ATOM 0 HA ASN A 16 -18.316 -0.912 -22.598 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -20.063 -2.243 -24.037 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -20.090 -0.864 -25.118 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -16.905 -3.522 -25.226 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.069 -3.560 -23.897 1.00 0.00 H new ATOM 241 N THR A 17 -19.171 1.947 -23.992 1.00 0.00 N ATOM 242 CA THR A 17 -18.615 3.201 -24.592 1.00 0.00 C ATOM 243 C THR A 17 -17.573 3.890 -23.659 1.00 0.00 C ATOM 244 O THR A 17 -16.397 3.881 -24.023 1.00 0.00 O ATOM 245 CB THR A 17 -19.744 4.141 -25.122 1.00 0.00 C ATOM 246 OG1 THR A 17 -20.514 3.457 -26.106 1.00 0.00 O ATOM 247 CG2 THR A 17 -19.242 5.440 -25.788 1.00 0.00 C ATOM 0 H THR A 17 -20.168 2.001 -23.785 1.00 0.00 H new ATOM 0 HA THR A 17 -18.043 2.924 -25.478 1.00 0.00 H new ATOM 0 HB THR A 17 -20.318 4.413 -24.236 1.00 0.00 H new ATOM 0 HG1 THR A 17 -21.131 2.836 -25.665 1.00 0.00 H new ATOM 0 HG21 THR A 17 -20.095 6.029 -26.125 1.00 0.00 H new ATOM 0 HG22 THR A 17 -18.663 6.018 -25.068 1.00 0.00 H new ATOM 0 HG23 THR A 17 -18.613 5.191 -26.642 1.00 0.00 H new ATOM 255 N LEU A 18 -17.961 4.432 -22.483 1.00 0.00 N ATOM 256 CA LEU A 18 -16.982 4.983 -21.486 1.00 0.00 C ATOM 257 C LEU A 18 -16.056 3.992 -20.698 1.00 0.00 C ATOM 258 O LEU A 18 -15.177 4.426 -19.948 1.00 0.00 O ATOM 259 CB LEU A 18 -17.653 6.044 -20.566 1.00 0.00 C ATOM 260 CG LEU A 18 -18.803 5.571 -19.623 1.00 0.00 C ATOM 261 CD1 LEU A 18 -18.774 6.309 -18.270 1.00 0.00 C ATOM 262 CD2 LEU A 18 -20.194 5.742 -20.270 1.00 0.00 C ATOM 0 H LEU A 18 -18.936 4.505 -22.191 1.00 0.00 H new ATOM 0 HA LEU A 18 -16.243 5.459 -22.131 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.875 6.489 -19.947 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -18.047 6.837 -21.202 1.00 0.00 H new ATOM 0 HG LEU A 18 -18.630 4.509 -19.450 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.590 5.951 -17.643 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.823 6.119 -17.772 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.888 7.380 -18.437 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.962 5.400 -19.577 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.359 6.794 -20.505 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.244 5.154 -21.186 1.00 0.00 H new ATOM 274 N GLU A 19 -16.206 2.685 -20.943 1.00 0.00 N ATOM 275 CA GLU A 19 -15.211 1.637 -20.594 1.00 0.00 C ATOM 276 C GLU A 19 -14.001 1.635 -21.578 1.00 0.00 C ATOM 277 O GLU A 19 -12.864 1.816 -21.133 1.00 0.00 O ATOM 278 CB GLU A 19 -15.996 0.302 -20.485 1.00 0.00 C ATOM 279 CG GLU A 19 -15.251 -0.998 -20.118 1.00 0.00 C ATOM 280 CD GLU A 19 -14.469 -1.646 -21.267 1.00 0.00 C ATOM 281 OE1 GLU A 19 -15.103 -2.178 -22.206 1.00 0.00 O ATOM 282 OE2 GLU A 19 -13.219 -1.620 -21.240 1.00 0.00 O ATOM 0 H GLU A 19 -17.037 2.308 -21.399 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.730 1.825 -19.634 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.782 0.447 -19.744 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.488 0.135 -21.443 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.559 -0.784 -19.303 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.976 -1.719 -19.740 1.00 0.00 H new ATOM 289 N ASP A 20 -14.248 1.462 -22.895 1.00 0.00 N ATOM 290 CA ASP A 20 -13.211 1.609 -23.955 1.00 0.00 C ATOM 291 C ASP A 20 -12.615 3.049 -24.117 1.00 0.00 C ATOM 292 O ASP A 20 -11.422 3.165 -24.404 1.00 0.00 O ATOM 293 CB ASP A 20 -13.814 1.071 -25.281 1.00 0.00 C ATOM 294 CG ASP A 20 -12.793 0.833 -26.406 1.00 0.00 C ATOM 295 OD1 ASP A 20 -12.151 -0.240 -26.422 1.00 0.00 O ATOM 296 OD2 ASP A 20 -12.627 1.722 -27.269 1.00 0.00 O ATOM 0 H ASP A 20 -15.169 1.217 -23.259 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.343 1.024 -23.652 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.331 0.134 -25.074 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.565 1.777 -25.635 1.00 0.00 H new ATOM 301 N LYS A 21 -13.417 4.118 -23.925 1.00 0.00 N ATOM 302 CA LYS A 21 -12.936 5.528 -23.899 1.00 0.00 C ATOM 303 C LYS A 21 -11.909 5.828 -22.763 1.00 0.00 C ATOM 304 O LYS A 21 -10.828 6.343 -23.056 1.00 0.00 O ATOM 305 CB LYS A 21 -14.157 6.500 -23.845 1.00 0.00 C ATOM 306 CG LYS A 21 -14.025 7.796 -24.670 1.00 0.00 C ATOM 307 CD LYS A 21 -14.332 7.580 -26.171 1.00 0.00 C ATOM 308 CE LYS A 21 -14.360 8.856 -27.031 1.00 0.00 C ATOM 309 NZ LYS A 21 -15.481 9.761 -26.712 1.00 0.00 N ATOM 0 H LYS A 21 -14.423 4.033 -23.782 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.382 5.691 -24.823 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.040 5.962 -24.189 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.335 6.771 -22.804 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.704 8.548 -24.269 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.014 8.189 -24.563 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.585 6.901 -26.583 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.298 7.082 -26.259 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.421 9.394 -26.898 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.420 8.574 -28.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.438 10.598 -27.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.382 9.265 -26.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.414 10.059 -25.718 1.00 0.00 H new ATOM 323 N ALA A 22 -12.221 5.470 -21.496 1.00 0.00 N ATOM 324 CA ALA A 22 -11.258 5.550 -20.364 1.00 0.00 C ATOM 325 C ALA A 22 -9.977 4.672 -20.482 1.00 0.00 C ATOM 326 O ALA A 22 -8.897 5.147 -20.121 1.00 0.00 O ATOM 327 CB ALA A 22 -12.007 5.228 -19.061 1.00 0.00 C ATOM 0 H ALA A 22 -13.140 5.119 -21.227 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.873 6.570 -20.378 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.315 5.282 -18.221 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.811 5.949 -18.916 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.427 4.224 -19.121 1.00 0.00 H new ATOM 333 N ARG A 23 -10.072 3.431 -21.013 1.00 0.00 N ATOM 334 CA ARG A 23 -8.884 2.601 -21.367 1.00 0.00 C ATOM 335 C ARG A 23 -7.973 3.261 -22.449 1.00 0.00 C ATOM 336 O ARG A 23 -6.774 3.400 -22.204 1.00 0.00 O ATOM 337 CB ARG A 23 -9.356 1.161 -21.728 1.00 0.00 C ATOM 338 CG ARG A 23 -8.279 0.049 -21.703 1.00 0.00 C ATOM 339 CD ARG A 23 -7.375 -0.031 -22.951 1.00 0.00 C ATOM 340 NE ARG A 23 -6.368 -1.113 -22.833 1.00 0.00 N ATOM 341 CZ ARG A 23 -5.309 -1.261 -23.654 1.00 0.00 C ATOM 342 NH1 ARG A 23 -5.049 -0.460 -24.687 1.00 0.00 N ATOM 343 NH2 ARG A 23 -4.479 -2.261 -23.422 1.00 0.00 N ATOM 0 H ARG A 23 -10.963 2.975 -21.209 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.231 2.532 -20.497 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.151 0.880 -21.037 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.795 1.187 -22.725 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.647 0.199 -20.828 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.777 -0.912 -21.575 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.990 -0.201 -23.835 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.868 0.923 -23.094 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.484 -1.791 -22.080 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.670 0.322 -24.895 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.229 -0.629 -25.269 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.649 -2.894 -22.640 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.668 -2.401 -24.025 1.00 0.00 H new ATOM 357 N GLU A 24 -8.529 3.708 -23.596 1.00 0.00 N ATOM 358 CA GLU A 24 -7.795 4.523 -24.608 1.00 0.00 C ATOM 359 C GLU A 24 -7.108 5.830 -24.086 1.00 0.00 C ATOM 360 O GLU A 24 -6.018 6.146 -24.566 1.00 0.00 O ATOM 361 CB GLU A 24 -8.770 4.800 -25.794 1.00 0.00 C ATOM 362 CG GLU A 24 -8.185 5.485 -27.052 1.00 0.00 C ATOM 363 CD GLU A 24 -7.078 4.696 -27.760 1.00 0.00 C ATOM 364 OE1 GLU A 24 -7.397 3.771 -28.539 1.00 0.00 O ATOM 365 OE2 GLU A 24 -5.883 4.995 -27.535 1.00 0.00 O ATOM 0 H GLU A 24 -9.498 3.518 -23.853 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.936 3.933 -24.926 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.206 3.849 -26.100 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.586 5.420 -25.422 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.994 5.663 -27.760 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.791 6.460 -26.767 1.00 0.00 H new ATOM 372 N LEU A 25 -7.706 6.561 -23.117 1.00 0.00 N ATOM 373 CA LEU A 25 -7.063 7.742 -22.482 1.00 0.00 C ATOM 374 C LEU A 25 -5.885 7.334 -21.545 1.00 0.00 C ATOM 375 O LEU A 25 -4.749 7.682 -21.865 1.00 0.00 O ATOM 376 CB LEU A 25 -8.125 8.661 -21.801 1.00 0.00 C ATOM 377 CG LEU A 25 -8.723 9.801 -22.676 1.00 0.00 C ATOM 378 CD1 LEU A 25 -9.555 9.321 -23.883 1.00 0.00 C ATOM 379 CD2 LEU A 25 -9.575 10.757 -21.816 1.00 0.00 C ATOM 0 H LEU A 25 -8.637 6.355 -22.754 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.603 8.343 -23.267 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.945 8.033 -21.452 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.670 9.111 -20.919 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.857 10.319 -23.089 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.930 10.184 -24.433 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.929 8.717 -24.540 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.395 8.722 -23.531 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.984 11.547 -22.446 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.392 10.201 -21.355 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.952 11.199 -21.038 1.00 0.00 H new ATOM 391 N ILE A 26 -6.117 6.608 -20.431 1.00 0.00 N ATOM 392 CA ILE A 26 -5.070 6.314 -19.402 1.00 0.00 C ATOM 393 C ILE A 26 -3.942 5.338 -19.901 1.00 0.00 C ATOM 394 O ILE A 26 -2.783 5.578 -19.561 1.00 0.00 O ATOM 395 CB ILE A 26 -5.771 5.871 -18.057 1.00 0.00 C ATOM 396 CG1 ILE A 26 -6.564 7.016 -17.339 1.00 0.00 C ATOM 397 CG2 ILE A 26 -4.796 5.262 -17.011 1.00 0.00 C ATOM 398 CD1 ILE A 26 -7.972 7.338 -17.862 1.00 0.00 C ATOM 0 H ILE A 26 -7.028 6.206 -20.210 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.516 7.231 -19.202 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.468 5.107 -18.402 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.648 6.757 -16.284 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.967 7.926 -17.397 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.351 4.983 -16.116 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.317 4.378 -17.432 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.035 5.998 -16.751 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.402 8.148 -17.274 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.911 7.641 -18.907 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.603 6.453 -17.777 1.00 0.00 H new ATOM 410 N SER A 27 -4.234 4.269 -20.673 1.00 0.00 N ATOM 411 CA SER A 27 -3.181 3.414 -21.306 1.00 0.00 C ATOM 412 C SER A 27 -2.206 4.148 -22.290 1.00 0.00 C ATOM 413 O SER A 27 -1.007 3.860 -22.278 1.00 0.00 O ATOM 414 CB SER A 27 -3.849 2.191 -21.976 1.00 0.00 C ATOM 415 OG SER A 27 -2.881 1.217 -22.350 1.00 0.00 O ATOM 0 H SER A 27 -5.187 3.970 -20.879 1.00 0.00 H new ATOM 0 HA SER A 27 -2.527 3.098 -20.493 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.570 1.746 -21.290 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.404 2.513 -22.857 1.00 0.00 H new ATOM 0 HG SER A 27 -3.330 0.454 -22.770 1.00 0.00 H new ATOM 421 N ARG A 28 -2.711 5.105 -23.097 1.00 0.00 N ATOM 422 CA ARG A 28 -1.870 6.046 -23.893 1.00 0.00 C ATOM 423 C ARG A 28 -1.121 7.128 -23.037 1.00 0.00 C ATOM 424 O ARG A 28 0.043 7.423 -23.322 1.00 0.00 O ATOM 425 CB ARG A 28 -2.794 6.670 -24.974 1.00 0.00 C ATOM 426 CG ARG A 28 -2.084 7.480 -26.080 1.00 0.00 C ATOM 427 CD ARG A 28 -3.077 7.999 -27.136 1.00 0.00 C ATOM 428 NE ARG A 28 -2.381 8.780 -28.185 1.00 0.00 N ATOM 429 CZ ARG A 28 -2.992 9.338 -29.249 1.00 0.00 C ATOM 430 NH1 ARG A 28 -4.301 9.253 -29.486 1.00 0.00 N ATOM 431 NH2 ARG A 28 -2.250 10.008 -30.110 1.00 0.00 N ATOM 0 H ARG A 28 -3.713 5.253 -23.220 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.051 5.493 -24.353 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.363 5.868 -25.445 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.513 7.322 -24.478 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.557 8.322 -25.632 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.333 6.855 -26.563 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.601 7.158 -27.591 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.831 8.622 -26.655 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.372 8.904 -28.096 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.904 8.741 -28.842 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.700 9.700 -30.312 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.245 10.092 -29.960 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.682 10.442 -30.926 1.00 0.00 H new ATOM 445 N ILE A 29 -1.783 7.703 -22.012 1.00 0.00 N ATOM 446 CA ILE A 29 -1.227 8.751 -21.114 1.00 0.00 C ATOM 447 C ILE A 29 -0.300 8.036 -20.081 1.00 0.00 C ATOM 448 O ILE A 29 0.885 7.848 -20.374 1.00 0.00 O ATOM 449 CB ILE A 29 -2.411 9.655 -20.597 1.00 0.00 C ATOM 450 CG1 ILE A 29 -3.146 10.438 -21.735 1.00 0.00 C ATOM 451 CG2 ILE A 29 -1.953 10.656 -19.515 1.00 0.00 C ATOM 452 CD1 ILE A 29 -4.518 11.031 -21.373 1.00 0.00 C ATOM 0 H ILE A 29 -2.742 7.449 -21.775 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.571 9.479 -21.591 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.119 8.949 -20.163 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.498 11.250 -22.066 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.276 9.767 -22.584 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.803 11.256 -19.191 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.548 10.110 -18.663 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.184 11.310 -19.926 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.930 11.550 -22.239 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.194 10.229 -21.075 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.404 11.735 -20.549 1.00 0.00 H new ATOM 464 N LYS A 30 -0.816 7.667 -18.891 1.00 0.00 N ATOM 465 CA LYS A 30 -0.006 7.176 -17.733 1.00 0.00 C ATOM 466 C LYS A 30 1.154 8.074 -17.166 1.00 0.00 C ATOM 467 O LYS A 30 1.874 7.649 -16.261 1.00 0.00 O ATOM 468 CB LYS A 30 0.420 5.690 -17.967 1.00 0.00 C ATOM 469 CG LYS A 30 0.402 4.771 -16.726 1.00 0.00 C ATOM 470 CD LYS A 30 -1.013 4.388 -16.242 1.00 0.00 C ATOM 471 CE LYS A 30 -0.986 3.448 -15.026 1.00 0.00 C ATOM 472 NZ LYS A 30 -2.348 3.101 -14.585 1.00 0.00 N ATOM 0 H LYS A 30 -1.816 7.698 -18.694 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.701 7.252 -16.897 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.239 5.260 -18.721 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.428 5.684 -18.383 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.954 3.860 -16.955 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.930 5.268 -15.912 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.563 5.293 -15.985 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.554 3.907 -17.057 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.441 2.539 -15.279 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.447 3.925 -14.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.296 2.466 -13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.859 3.968 -14.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.853 2.624 -15.359 1.00 0.00 H new ATOM 486 N GLN A 31 1.341 9.287 -17.709 1.00 0.00 N ATOM 487 CA GLN A 31 2.601 10.085 -17.621 1.00 0.00 C ATOM 488 C GLN A 31 2.428 11.615 -17.921 1.00 0.00 C ATOM 489 O GLN A 31 3.400 12.354 -17.741 1.00 0.00 O ATOM 490 CB GLN A 31 3.709 9.531 -18.569 1.00 0.00 C ATOM 491 CG GLN A 31 4.438 8.258 -18.093 1.00 0.00 C ATOM 492 CD GLN A 31 5.585 7.822 -19.018 1.00 0.00 C ATOM 493 OE1 GLN A 31 6.682 8.382 -18.986 1.00 0.00 O ATOM 494 NE2 GLN A 31 5.368 6.813 -19.847 1.00 0.00 N ATOM 0 H GLN A 31 0.610 9.763 -18.237 1.00 0.00 H new ATOM 0 HA GLN A 31 2.897 9.980 -16.577 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.258 9.325 -19.540 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.452 10.314 -18.722 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.835 8.430 -17.092 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.717 7.445 -18.015 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.456 6.356 -19.866 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.112 6.493 -20.467 1.00 0.00 H new ATOM 503 N SER A 32 1.264 12.115 -18.385 1.00 0.00 N ATOM 504 CA SER A 32 1.163 13.477 -18.990 1.00 0.00 C ATOM 505 C SER A 32 -0.248 14.081 -18.786 1.00 0.00 C ATOM 506 O SER A 32 -1.188 13.750 -19.517 1.00 0.00 O ATOM 507 CB SER A 32 1.554 13.406 -20.489 1.00 0.00 C ATOM 508 OG SER A 32 1.547 14.699 -21.084 1.00 0.00 O ATOM 0 H SER A 32 0.380 11.606 -18.357 1.00 0.00 H new ATOM 0 HA SER A 32 1.860 14.145 -18.484 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.545 12.962 -20.589 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.858 12.755 -21.019 1.00 0.00 H new ATOM 0 HG SER A 32 1.798 14.626 -22.028 1.00 0.00 H new ATOM 514 N GLU A 33 -0.387 14.994 -17.799 1.00 0.00 N ATOM 515 CA GLU A 33 -1.683 15.677 -17.469 1.00 0.00 C ATOM 516 C GLU A 33 -2.829 14.803 -16.832 1.00 0.00 C ATOM 517 O GLU A 33 -3.782 15.355 -16.276 1.00 0.00 O ATOM 518 CB GLU A 33 -2.106 16.645 -18.608 1.00 0.00 C ATOM 519 CG GLU A 33 -3.148 17.727 -18.246 1.00 0.00 C ATOM 520 CD GLU A 33 -3.418 18.694 -19.402 1.00 0.00 C ATOM 521 OE1 GLU A 33 -4.312 18.412 -20.230 1.00 0.00 O ATOM 522 OE2 GLU A 33 -2.735 19.740 -19.487 1.00 0.00 O ATOM 0 H GLU A 33 0.387 15.286 -17.203 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.466 16.292 -16.596 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.212 17.145 -18.980 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.504 16.050 -19.430 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.081 17.245 -17.955 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.797 18.290 -17.381 1.00 0.00 H new ATOM 529 N LEU A 34 -2.679 13.462 -16.779 1.00 0.00 N ATOM 530 CA LEU A 34 -3.118 12.647 -15.613 1.00 0.00 C ATOM 531 C LEU A 34 -2.153 12.955 -14.417 1.00 0.00 C ATOM 532 O LEU A 34 -2.606 13.274 -13.314 1.00 0.00 O ATOM 533 CB LEU A 34 -3.067 11.151 -16.068 1.00 0.00 C ATOM 534 CG LEU A 34 -3.670 10.010 -15.198 1.00 0.00 C ATOM 535 CD1 LEU A 34 -3.303 8.653 -15.836 1.00 0.00 C ATOM 536 CD2 LEU A 34 -3.227 9.955 -13.724 1.00 0.00 C ATOM 0 H LEU A 34 -2.257 12.915 -17.529 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.130 12.875 -15.279 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.558 11.100 -17.040 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.017 10.905 -16.228 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.739 10.223 -15.180 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.720 7.844 -15.236 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.711 8.603 -16.845 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.218 8.552 -15.878 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.717 9.117 -13.228 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.146 9.825 -13.674 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.504 10.884 -13.226 1.00 0.00 H new ATOM 548 N SER A 35 -0.832 12.843 -14.673 1.00 0.00 N ATOM 549 CA SER A 35 0.224 12.874 -13.656 1.00 0.00 C ATOM 550 C SER A 35 1.544 13.200 -14.396 1.00 0.00 C ATOM 551 O SER A 35 2.126 12.343 -15.069 1.00 0.00 O ATOM 552 CB SER A 35 0.318 11.472 -13.044 1.00 0.00 C ATOM 553 OG SER A 35 -0.685 11.247 -12.062 1.00 0.00 O ATOM 0 H SER A 35 -0.468 12.726 -15.619 1.00 0.00 H new ATOM 0 HA SER A 35 0.028 13.608 -12.874 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.225 10.726 -13.833 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.302 11.339 -12.593 1.00 0.00 H new ATOM 0 HG SER A 35 -1.396 11.914 -12.162 1.00 0.00 H new ATOM 559 N ALA A 36 2.027 14.435 -14.245 1.00 0.00 N ATOM 560 CA ALA A 36 3.290 14.888 -14.893 1.00 0.00 C ATOM 561 C ALA A 36 4.612 14.512 -14.155 1.00 0.00 C ATOM 562 O ALA A 36 5.598 14.219 -14.838 1.00 0.00 O ATOM 563 CB ALA A 36 3.181 16.390 -15.169 1.00 0.00 C ATOM 0 H ALA A 36 1.571 15.152 -13.680 1.00 0.00 H new ATOM 0 HA ALA A 36 3.381 14.330 -15.825 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.098 16.740 -15.644 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.335 16.578 -15.830 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.033 16.923 -14.230 1.00 0.00 H new ATOM 569 N LYS A 37 4.649 14.484 -12.802 1.00 0.00 N ATOM 570 CA LYS A 37 5.799 13.921 -12.030 1.00 0.00 C ATOM 571 C LYS A 37 5.973 12.362 -12.107 1.00 0.00 C ATOM 572 O LYS A 37 7.098 11.881 -11.961 1.00 0.00 O ATOM 573 CB LYS A 37 5.732 14.443 -10.569 1.00 0.00 C ATOM 574 CG LYS A 37 7.042 14.273 -9.763 1.00 0.00 C ATOM 575 CD LYS A 37 6.979 14.913 -8.362 1.00 0.00 C ATOM 576 CE LYS A 37 8.252 14.722 -7.513 1.00 0.00 C ATOM 577 NZ LYS A 37 9.413 15.483 -8.015 1.00 0.00 N ATOM 0 H LYS A 37 3.897 14.844 -12.215 1.00 0.00 H new ATOM 0 HA LYS A 37 6.706 14.283 -12.515 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.466 15.500 -10.587 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.930 13.921 -10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.263 13.211 -9.661 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.865 14.717 -10.322 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.788 15.980 -8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.131 14.492 -7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.044 15.026 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.506 13.662 -7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.234 15.310 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.636 15.177 -8.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.189 16.498 -8.016 1.00 0.00 H new ATOM 591 N MET A 38 4.916 11.567 -12.381 1.00 0.00 N ATOM 592 CA MET A 38 5.022 10.167 -12.834 1.00 0.00 C ATOM 593 C MET A 38 5.793 9.916 -14.178 1.00 0.00 C ATOM 594 O MET A 38 6.270 8.798 -14.367 1.00 0.00 O ATOM 595 CB MET A 38 3.516 9.823 -12.862 1.00 0.00 C ATOM 596 CG MET A 38 3.087 8.430 -13.247 1.00 0.00 C ATOM 597 SD MET A 38 3.990 7.176 -12.310 1.00 0.00 S ATOM 598 CE MET A 38 2.686 5.993 -11.920 1.00 0.00 C ATOM 0 H MET A 38 3.952 11.887 -12.292 1.00 0.00 H new ATOM 0 HA MET A 38 5.643 9.534 -12.200 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.114 10.028 -11.870 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.034 10.517 -13.550 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.017 8.316 -13.072 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.253 8.279 -14.314 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.104 5.168 -11.344 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.909 6.487 -11.336 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.255 5.608 -12.844 1.00 0.00 H new ATOM 608 N ARG A 39 5.977 10.928 -15.062 1.00 0.00 N ATOM 609 CA ARG A 39 6.906 10.845 -16.233 1.00 0.00 C ATOM 610 C ARG A 39 8.398 10.558 -15.861 1.00 0.00 C ATOM 611 O ARG A 39 8.966 9.592 -16.379 1.00 0.00 O ATOM 612 CB ARG A 39 6.774 12.135 -17.089 1.00 0.00 C ATOM 613 CG ARG A 39 7.276 12.030 -18.549 1.00 0.00 C ATOM 614 CD ARG A 39 7.256 13.365 -19.322 1.00 0.00 C ATOM 615 NE ARG A 39 5.889 13.934 -19.466 1.00 0.00 N ATOM 616 CZ ARG A 39 5.625 15.225 -19.739 1.00 0.00 C ATOM 617 NH1 ARG A 39 6.559 16.136 -20.015 1.00 0.00 N ATOM 618 NH2 ARG A 39 4.365 15.616 -19.734 1.00 0.00 N ATOM 0 H ARG A 39 5.492 11.822 -14.990 1.00 0.00 H new ATOM 0 HA ARG A 39 6.599 9.975 -16.814 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.725 12.431 -17.106 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.323 12.935 -16.593 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.294 11.641 -18.544 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.660 11.305 -19.082 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.891 14.086 -18.807 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.686 13.212 -20.312 1.00 0.00 H new ATOM 0 HE ARG A 39 5.097 13.302 -19.350 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.543 15.869 -20.028 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.289 17.099 -20.213 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.624 14.946 -19.527 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.132 16.588 -19.937 1.00 0.00 H new ATOM 632 N GLU A 40 9.003 11.361 -14.956 1.00 0.00 N ATOM 633 CA GLU A 40 10.344 11.066 -14.368 1.00 0.00 C ATOM 634 C GLU A 40 10.465 9.735 -13.560 1.00 0.00 C ATOM 635 O GLU A 40 11.498 9.073 -13.672 1.00 0.00 O ATOM 636 CB GLU A 40 10.909 12.282 -13.582 1.00 0.00 C ATOM 637 CG GLU A 40 10.099 12.791 -12.369 1.00 0.00 C ATOM 638 CD GLU A 40 10.803 13.898 -11.584 1.00 0.00 C ATOM 639 OE1 GLU A 40 11.627 13.579 -10.699 1.00 0.00 O ATOM 640 OE2 GLU A 40 10.530 15.091 -11.841 1.00 0.00 O ATOM 0 H GLU A 40 8.586 12.225 -14.611 1.00 0.00 H new ATOM 0 HA GLU A 40 10.976 10.889 -15.239 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.908 12.021 -13.233 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.022 13.110 -14.281 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.134 13.161 -12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.898 11.954 -11.700 1.00 0.00 H new ATOM 647 N TRP A 41 9.427 9.327 -12.799 1.00 0.00 N ATOM 648 CA TRP A 41 9.340 7.971 -12.188 1.00 0.00 C ATOM 649 C TRP A 41 9.369 6.783 -13.210 1.00 0.00 C ATOM 650 O TRP A 41 10.060 5.804 -12.924 1.00 0.00 O ATOM 651 CB TRP A 41 8.112 7.929 -11.230 1.00 0.00 C ATOM 652 CG TRP A 41 7.915 6.623 -10.444 1.00 0.00 C ATOM 653 CD1 TRP A 41 8.392 6.348 -9.147 1.00 0.00 C ATOM 654 CD2 TRP A 41 7.287 5.460 -10.864 1.00 0.00 C ATOM 655 NE1 TRP A 41 8.077 5.037 -8.743 1.00 0.00 N ATOM 656 CE2 TRP A 41 7.397 4.502 -9.827 1.00 0.00 C ATOM 657 CE3 TRP A 41 6.680 5.114 -12.100 1.00 0.00 C ATOM 658 CZ2 TRP A 41 6.899 3.190 -10.016 1.00 0.00 C ATOM 659 CZ3 TRP A 41 6.195 3.817 -12.263 1.00 0.00 C ATOM 660 CH2 TRP A 41 6.300 2.870 -11.237 1.00 0.00 C ATOM 0 H TRP A 41 8.625 9.921 -12.588 1.00 0.00 H new ATOM 0 HA TRP A 41 10.253 7.810 -11.614 1.00 0.00 H new ATOM 0 HB2 TRP A 41 8.204 8.748 -10.517 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.212 8.116 -11.816 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.933 7.056 -8.537 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.298 4.584 -7.856 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.596 5.839 -12.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 6.981 2.452 -9.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.730 3.538 -13.197 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.911 1.874 -11.392 1.00 0.00 H new ATOM 671 N PHE A 42 8.641 6.828 -14.351 1.00 0.00 N ATOM 672 CA PHE A 42 8.727 5.766 -15.407 1.00 0.00 C ATOM 673 C PHE A 42 10.125 5.656 -16.100 1.00 0.00 C ATOM 674 O PHE A 42 10.558 4.542 -16.410 1.00 0.00 O ATOM 675 CB PHE A 42 7.596 5.896 -16.475 1.00 0.00 C ATOM 676 CG PHE A 42 6.293 5.150 -16.135 1.00 0.00 C ATOM 677 CD1 PHE A 42 6.203 3.773 -16.378 1.00 0.00 C ATOM 678 CD2 PHE A 42 5.183 5.825 -15.620 1.00 0.00 C ATOM 679 CE1 PHE A 42 5.021 3.085 -16.106 1.00 0.00 C ATOM 680 CE2 PHE A 42 4.003 5.137 -15.352 1.00 0.00 C ATOM 681 CZ PHE A 42 3.922 3.769 -15.594 1.00 0.00 C ATOM 0 H PHE A 42 7.988 7.580 -14.572 1.00 0.00 H new ATOM 0 HA PHE A 42 8.582 4.834 -14.860 1.00 0.00 H new ATOM 0 HB2 PHE A 42 7.367 6.953 -16.613 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.972 5.524 -17.428 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.054 3.242 -16.778 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.241 6.886 -15.429 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.958 2.023 -16.292 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.149 5.666 -14.956 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.006 3.237 -15.384 1.00 0.00 H new ATOM 691 N SER A 43 10.828 6.788 -16.301 1.00 0.00 N ATOM 692 CA SER A 43 12.267 6.800 -16.694 1.00 0.00 C ATOM 693 C SER A 43 13.241 6.202 -15.625 1.00 0.00 C ATOM 694 O SER A 43 14.103 5.396 -15.979 1.00 0.00 O ATOM 695 CB SER A 43 12.688 8.237 -17.084 1.00 0.00 C ATOM 696 OG SER A 43 11.935 8.720 -18.192 1.00 0.00 O ATOM 0 H SER A 43 10.425 7.719 -16.198 1.00 0.00 H new ATOM 0 HA SER A 43 12.354 6.134 -17.553 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.549 8.902 -16.231 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.750 8.252 -17.330 1.00 0.00 H new ATOM 0 HG SER A 43 12.224 9.630 -18.412 1.00 0.00 H new ATOM 702 N GLU A 44 13.085 6.563 -14.335 1.00 0.00 N ATOM 703 CA GLU A 44 13.846 5.965 -13.198 1.00 0.00 C ATOM 704 C GLU A 44 13.637 4.429 -12.992 1.00 0.00 C ATOM 705 O GLU A 44 14.620 3.704 -12.819 1.00 0.00 O ATOM 706 CB GLU A 44 13.503 6.743 -11.894 1.00 0.00 C ATOM 707 CG GLU A 44 14.145 8.144 -11.803 1.00 0.00 C ATOM 708 CD GLU A 44 13.555 8.998 -10.677 1.00 0.00 C ATOM 709 OE1 GLU A 44 14.032 8.893 -9.526 1.00 0.00 O ATOM 710 OE2 GLU A 44 12.611 9.778 -10.937 1.00 0.00 O ATOM 0 H GLU A 44 12.424 7.283 -14.042 1.00 0.00 H new ATOM 0 HA GLU A 44 14.901 6.065 -13.452 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.420 6.847 -11.821 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.825 6.152 -11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.218 8.037 -11.647 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.012 8.662 -12.753 1.00 0.00 H new ATOM 717 N THR A 45 12.377 3.948 -13.005 1.00 0.00 N ATOM 718 CA THR A 45 12.019 2.529 -12.733 1.00 0.00 C ATOM 719 C THR A 45 12.380 1.577 -13.916 1.00 0.00 C ATOM 720 O THR A 45 13.129 0.623 -13.692 1.00 0.00 O ATOM 721 CB THR A 45 10.531 2.448 -12.274 1.00 0.00 C ATOM 722 OG1 THR A 45 10.299 3.308 -11.160 1.00 0.00 O ATOM 723 CG2 THR A 45 10.052 1.045 -11.857 1.00 0.00 C ATOM 0 H THR A 45 11.567 4.535 -13.206 1.00 0.00 H new ATOM 0 HA THR A 45 12.632 2.159 -11.912 1.00 0.00 H new ATOM 0 HB THR A 45 9.969 2.747 -13.159 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.184 4.228 -11.476 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.006 1.093 -11.555 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.156 0.360 -12.699 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.655 0.688 -11.022 1.00 0.00 H new ATOM 731 N PHE A 46 11.865 1.819 -15.142 1.00 0.00 N ATOM 732 CA PHE A 46 12.093 0.933 -16.319 1.00 0.00 C ATOM 733 C PHE A 46 13.574 0.829 -16.799 1.00 0.00 C ATOM 734 O PHE A 46 14.031 -0.292 -17.029 1.00 0.00 O ATOM 735 CB PHE A 46 11.109 1.331 -17.459 1.00 0.00 C ATOM 736 CG PHE A 46 11.024 0.385 -18.680 1.00 0.00 C ATOM 737 CD1 PHE A 46 10.732 -0.976 -18.521 1.00 0.00 C ATOM 738 CD2 PHE A 46 11.209 0.895 -19.973 1.00 0.00 C ATOM 739 CE1 PHE A 46 10.651 -1.815 -19.630 1.00 0.00 C ATOM 740 CE2 PHE A 46 11.110 0.056 -21.081 1.00 0.00 C ATOM 741 CZ PHE A 46 10.842 -1.299 -20.908 1.00 0.00 C ATOM 0 H PHE A 46 11.281 2.629 -15.349 1.00 0.00 H new ATOM 0 HA PHE A 46 11.879 -0.085 -15.994 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.111 1.419 -17.029 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.390 2.321 -17.817 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.569 -1.377 -17.532 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.429 1.943 -20.111 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.440 -2.866 -19.498 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.241 0.457 -22.075 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.782 -1.951 -21.767 1.00 0.00 H new ATOM 751 N GLN A 47 14.318 1.949 -16.913 1.00 0.00 N ATOM 752 CA GLN A 47 15.786 1.926 -17.204 1.00 0.00 C ATOM 753 C GLN A 47 16.682 1.212 -16.134 1.00 0.00 C ATOM 754 O GLN A 47 17.676 0.591 -16.520 1.00 0.00 O ATOM 755 CB GLN A 47 16.331 3.356 -17.478 1.00 0.00 C ATOM 756 CG GLN A 47 15.665 4.181 -18.609 1.00 0.00 C ATOM 757 CD GLN A 47 15.746 3.576 -20.023 1.00 0.00 C ATOM 758 OE1 GLN A 47 16.768 3.033 -20.445 1.00 0.00 O ATOM 759 NE2 GLN A 47 14.671 3.672 -20.790 1.00 0.00 N ATOM 0 H GLN A 47 13.934 2.888 -16.809 1.00 0.00 H new ATOM 0 HA GLN A 47 15.861 1.312 -18.101 1.00 0.00 H new ATOM 0 HB2 GLN A 47 16.249 3.928 -16.554 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.393 3.271 -17.707 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.614 4.325 -18.356 1.00 0.00 H new ATOM 0 HG3 GLN A 47 16.126 5.169 -18.631 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.829 4.123 -20.433 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.685 3.295 -21.738 1.00 0.00 H new ATOM 768 N LYS A 48 16.331 1.254 -14.827 1.00 0.00 N ATOM 769 CA LYS A 48 16.957 0.398 -13.775 1.00 0.00 C ATOM 770 C LYS A 48 16.782 -1.145 -13.986 1.00 0.00 C ATOM 771 O LYS A 48 17.765 -1.876 -13.832 1.00 0.00 O ATOM 772 CB LYS A 48 16.437 0.892 -12.400 1.00 0.00 C ATOM 773 CG LYS A 48 17.127 0.277 -11.160 1.00 0.00 C ATOM 774 CD LYS A 48 16.659 0.876 -9.815 1.00 0.00 C ATOM 775 CE LYS A 48 15.182 0.598 -9.414 1.00 0.00 C ATOM 776 NZ LYS A 48 14.940 -0.819 -9.083 1.00 0.00 N ATOM 0 H LYS A 48 15.609 1.878 -14.467 1.00 0.00 H new ATOM 0 HA LYS A 48 18.039 0.514 -13.835 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.552 1.975 -12.357 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.369 0.682 -12.340 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.943 -0.797 -11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.204 0.415 -11.251 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.306 0.492 -9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.806 1.955 -9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.920 1.217 -8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.526 0.893 -10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.941 -0.949 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.163 -1.411 -9.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.545 -1.097 -8.284 1.00 0.00 H new ATOM 790 N VAL A 49 15.578 -1.631 -14.375 1.00 0.00 N ATOM 791 CA VAL A 49 15.382 -3.035 -14.867 1.00 0.00 C ATOM 792 C VAL A 49 16.215 -3.354 -16.155 1.00 0.00 C ATOM 793 O VAL A 49 16.824 -4.422 -16.216 1.00 0.00 O ATOM 794 CB VAL A 49 13.885 -3.453 -15.107 1.00 0.00 C ATOM 795 CG1 VAL A 49 13.705 -4.992 -15.115 1.00 0.00 C ATOM 796 CG2 VAL A 49 12.843 -2.878 -14.119 1.00 0.00 C ATOM 0 H VAL A 49 14.721 -1.078 -14.361 1.00 0.00 H new ATOM 0 HA VAL A 49 15.754 -3.634 -14.036 1.00 0.00 H new ATOM 0 HB VAL A 49 13.684 -3.011 -16.083 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.656 -5.235 -15.284 1.00 0.00 H new ATOM 0 HG12 VAL A 49 14.310 -5.425 -15.911 1.00 0.00 H new ATOM 0 HG13 VAL A 49 14.022 -5.400 -14.155 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.850 -3.237 -14.388 1.00 0.00 H new ATOM 0 HG22 VAL A 49 13.084 -3.202 -13.107 1.00 0.00 H new ATOM 0 HG23 VAL A 49 12.860 -1.789 -14.166 1.00 0.00 H new ATOM 806 N LYS A 50 16.225 -2.451 -17.160 1.00 0.00 N ATOM 807 CA LYS A 50 16.966 -2.643 -18.436 1.00 0.00 C ATOM 808 C LYS A 50 18.510 -2.819 -18.311 1.00 0.00 C ATOM 809 O LYS A 50 19.071 -3.686 -18.984 1.00 0.00 O ATOM 810 CB LYS A 50 16.657 -1.487 -19.424 1.00 0.00 C ATOM 811 CG LYS A 50 15.219 -1.461 -19.985 1.00 0.00 C ATOM 812 CD LYS A 50 14.869 -0.221 -20.829 1.00 0.00 C ATOM 813 CE LYS A 50 15.746 -0.019 -22.078 1.00 0.00 C ATOM 814 NZ LYS A 50 15.170 0.971 -23.005 1.00 0.00 N ATOM 0 H LYS A 50 15.720 -1.566 -17.114 1.00 0.00 H new ATOM 0 HA LYS A 50 16.598 -3.597 -18.813 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.849 -0.540 -18.920 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.354 -1.550 -20.260 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.068 -2.351 -20.595 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.519 -1.523 -19.152 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.828 -0.295 -21.142 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.950 0.664 -20.199 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.741 0.306 -21.773 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.866 -0.972 -22.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.345 0.672 -23.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.145 1.043 -22.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.612 1.898 -22.842 1.00 0.00 H new ATOM 828 N GLU A 51 19.188 -2.052 -17.433 1.00 0.00 N ATOM 829 CA GLU A 51 20.606 -2.310 -17.028 1.00 0.00 C ATOM 830 C GLU A 51 20.941 -3.768 -16.554 1.00 0.00 C ATOM 831 O GLU A 51 22.042 -4.252 -16.831 1.00 0.00 O ATOM 832 CB GLU A 51 21.010 -1.283 -15.933 1.00 0.00 C ATOM 833 CG GLU A 51 21.153 0.179 -16.418 1.00 0.00 C ATOM 834 CD GLU A 51 21.325 1.170 -15.265 1.00 0.00 C ATOM 835 OE1 GLU A 51 22.474 1.396 -14.825 1.00 0.00 O ATOM 836 OE2 GLU A 51 20.309 1.726 -14.791 1.00 0.00 O ATOM 0 H GLU A 51 18.779 -1.235 -16.979 1.00 0.00 H new ATOM 0 HA GLU A 51 21.193 -2.191 -17.939 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.265 -1.313 -15.137 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.957 -1.597 -15.495 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.011 0.253 -17.086 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.272 0.453 -16.998 1.00 0.00 H new ATOM 843 N LYS A 52 20.000 -4.454 -15.872 1.00 0.00 N ATOM 844 CA LYS A 52 20.142 -5.877 -15.458 1.00 0.00 C ATOM 845 C LYS A 52 19.686 -6.856 -16.592 1.00 0.00 C ATOM 846 O LYS A 52 20.507 -7.632 -17.089 1.00 0.00 O ATOM 847 CB LYS A 52 19.378 -6.120 -14.121 1.00 0.00 C ATOM 848 CG LYS A 52 19.852 -5.294 -12.902 1.00 0.00 C ATOM 849 CD LYS A 52 18.988 -5.532 -11.645 1.00 0.00 C ATOM 850 CE LYS A 52 19.363 -4.662 -10.429 1.00 0.00 C ATOM 851 NZ LYS A 52 19.001 -3.240 -10.596 1.00 0.00 N ATOM 0 H LYS A 52 19.113 -4.039 -15.588 1.00 0.00 H new ATOM 0 HA LYS A 52 21.197 -6.087 -15.284 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.322 -5.909 -14.287 1.00 0.00 H new ATOM 0 HB3 LYS A 52 19.456 -7.178 -13.869 1.00 0.00 H new ATOM 0 HG2 LYS A 52 20.888 -5.547 -12.678 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.831 -4.234 -13.157 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.944 -5.347 -11.898 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.066 -6.581 -11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.866 -5.055 -9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.436 -4.739 -10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.279 -2.709 -9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.495 -2.851 -11.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.974 -3.157 -10.736 1.00 0.00 H new ATOM 865 N LEU A 53 18.397 -6.823 -16.988 1.00 0.00 N ATOM 866 CA LEU A 53 17.768 -7.789 -17.920 1.00 0.00 C ATOM 867 C LEU A 53 17.871 -7.378 -19.424 1.00 0.00 C ATOM 868 O LEU A 53 18.291 -8.212 -20.231 1.00 0.00 O ATOM 869 CB LEU A 53 16.289 -7.963 -17.465 1.00 0.00 C ATOM 870 CG LEU A 53 15.968 -8.986 -16.336 1.00 0.00 C ATOM 871 CD1 LEU A 53 16.530 -8.598 -14.953 1.00 0.00 C ATOM 872 CD2 LEU A 53 14.444 -9.196 -16.226 1.00 0.00 C ATOM 0 H LEU A 53 17.747 -6.108 -16.662 1.00 0.00 H new ATOM 0 HA LEU A 53 18.309 -8.734 -17.871 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.927 -6.988 -17.140 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.705 -8.244 -18.341 1.00 0.00 H new ATOM 0 HG LEU A 53 16.468 -9.910 -16.627 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.262 -9.363 -14.224 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.615 -8.516 -15.011 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.110 -7.640 -14.645 1.00 0.00 H new ATOM 0 HD21 LEU A 53 14.232 -9.913 -15.433 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.962 -8.246 -15.995 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.060 -9.577 -17.172 1.00 0.00 H new ATOM 884 N LYS A 54 17.451 -6.143 -19.787 1.00 0.00 N ATOM 885 CA LYS A 54 17.374 -5.612 -21.182 1.00 0.00 C ATOM 886 C LYS A 54 15.964 -5.900 -21.770 1.00 0.00 C ATOM 887 O LYS A 54 15.701 -7.000 -22.266 1.00 0.00 O ATOM 888 CB LYS A 54 18.521 -5.945 -22.189 1.00 0.00 C ATOM 889 CG LYS A 54 19.939 -5.469 -21.792 1.00 0.00 C ATOM 890 CD LYS A 54 20.192 -3.959 -22.011 1.00 0.00 C ATOM 891 CE LYS A 54 21.520 -3.433 -21.429 1.00 0.00 C ATOM 892 NZ LYS A 54 22.711 -3.922 -22.150 1.00 0.00 N ATOM 0 H LYS A 54 17.144 -5.459 -19.096 1.00 0.00 H new ATOM 0 HA LYS A 54 17.546 -4.543 -21.055 1.00 0.00 H new ATOM 0 HB2 LYS A 54 18.550 -7.025 -22.331 1.00 0.00 H new ATOM 0 HB3 LYS A 54 18.269 -5.504 -23.153 1.00 0.00 H new ATOM 0 HG2 LYS A 54 20.107 -5.704 -20.741 1.00 0.00 H new ATOM 0 HG3 LYS A 54 20.673 -6.035 -22.366 1.00 0.00 H new ATOM 0 HD2 LYS A 54 20.174 -3.754 -23.081 1.00 0.00 H new ATOM 0 HD3 LYS A 54 19.370 -3.399 -21.566 1.00 0.00 H new ATOM 0 HE2 LYS A 54 21.512 -2.343 -21.453 1.00 0.00 H new ATOM 0 HE3 LYS A 54 21.592 -3.728 -20.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 23.568 -3.532 -21.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 22.741 -4.961 -22.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 22.664 -3.619 -23.144 1.00 0.00 H new ATOM 906 N ILE A 55 15.074 -4.890 -21.697 1.00 0.00 N ATOM 907 CA ILE A 55 13.685 -4.957 -22.217 1.00 0.00 C ATOM 908 C ILE A 55 13.550 -3.703 -23.131 1.00 0.00 C ATOM 909 O ILE A 55 13.460 -2.571 -22.643 1.00 0.00 O ATOM 910 CB ILE A 55 12.589 -4.982 -21.087 1.00 0.00 C ATOM 911 CG1 ILE A 55 12.803 -6.037 -19.957 1.00 0.00 C ATOM 912 CG2 ILE A 55 11.179 -5.190 -21.698 1.00 0.00 C ATOM 913 CD1 ILE A 55 13.645 -5.557 -18.765 1.00 0.00 C ATOM 0 H ILE A 55 15.298 -3.991 -21.270 1.00 0.00 H new ATOM 0 HA ILE A 55 13.514 -5.890 -22.755 1.00 0.00 H new ATOM 0 HB ILE A 55 12.682 -4.006 -20.611 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.827 -6.354 -19.588 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.281 -6.916 -20.389 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.436 -5.204 -20.901 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.957 -4.375 -22.387 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.152 -6.137 -22.236 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.735 -6.362 -18.036 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.637 -5.270 -19.113 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.161 -4.698 -18.300 1.00 0.00 H new ATOM 925 N ASP A 56 13.507 -3.918 -24.458 1.00 0.00 N ATOM 926 CA ASP A 56 13.407 -2.815 -25.458 1.00 0.00 C ATOM 927 C ASP A 56 12.059 -2.024 -25.380 1.00 0.00 C ATOM 928 O ASP A 56 12.087 -0.837 -25.038 1.00 0.00 O ATOM 929 CB ASP A 56 13.749 -3.384 -26.864 1.00 0.00 C ATOM 930 CG ASP A 56 13.941 -2.323 -27.958 1.00 0.00 C ATOM 931 OD1 ASP A 56 15.057 -1.770 -28.075 1.00 0.00 O ATOM 932 OD2 ASP A 56 12.974 -2.035 -28.697 1.00 0.00 O ATOM 0 H ASP A 56 13.540 -4.848 -24.875 1.00 0.00 H new ATOM 0 HA ASP A 56 14.143 -2.047 -25.222 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.660 -3.977 -26.789 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.952 -4.062 -27.170 1.00 0.00 H new ATOM 937 N SER A 57 10.908 -2.668 -25.669 1.00 0.00 N ATOM 938 CA SER A 57 9.578 -2.008 -25.626 1.00 0.00 C ATOM 939 C SER A 57 9.010 -2.009 -24.188 1.00 0.00 C ATOM 940 O SER A 57 8.811 -0.908 -23.627 1.00 0.00 O ATOM 941 CB SER A 57 8.638 -2.705 -26.635 1.00 0.00 C ATOM 942 OG SER A 57 7.393 -2.022 -26.725 1.00 0.00 O ATOM 943 OXT SER A 57 8.763 -3.095 -23.614 1.00 0.00 O ATOM 0 H SER A 57 10.870 -3.651 -25.937 1.00 0.00 H new ATOM 0 HA SER A 57 9.672 -0.961 -25.916 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.111 -2.737 -27.616 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.470 -3.737 -26.328 1.00 0.00 H new ATOM 0 HG SER A 57 6.815 -2.480 -27.370 1.00 0.00 H new TER 949 SER A 57