USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 714 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 84 CYS SG : rot -18:sc= 0.284 USER MOD Set 1.2: A 85 CYS SG : rot 33:sc= 0.0957 USER MOD Set 2.1: A 75 ASN : amide:sc= -0.293 X(o=-1.6,f=-1.5) USER MOD Set 2.2: A 94 SER OG : rot -85:sc= -1.3 USER MOD Single : A 16 SER OG : rot 180:sc= -1.03 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0845 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -5.9! C(o=-7.2!,f=-5.9!) USER MOD Single : A 24 LYS NZ :NH3+ -157:sc=-0.00948 (180deg=-0.212) USER MOD Single : A 26 THR OG1 : rot -105:sc= 0.0824 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -151:sc=-0.00495 (180deg=-1.36) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 143:sc= -0.0181 (180deg=-0.536) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 15:sc= -1.08 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.41 F(o=-2.5!,f=-1.4) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.252 X(o=-0.25,f=0) USER MOD Single : A 76 HIS : no HE2:sc= 0.046 X(o=0.046,f=-0.23) USER MOD Single : A 79 THR OG1 : rot 150:sc= -0.418 USER MOD Single : A 96 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.96) USER MOD Single : A 97 LYS NZ :NH3+ 178:sc= -0.362 (180deg=-0.367) USER MOD Single : A 103 SER OG : rot 180:sc= -0.15 USER MOD Single : A 105 ASN :FLIP amide:sc= 0.616 F(o=-0.81,f=0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -12.065 -14.902 -12.746 1.00 0.00 N ATOM 2 CA SER A 16 -10.981 -14.792 -11.728 1.00 0.00 C ATOM 3 C SER A 16 -10.106 -16.046 -11.709 1.00 0.00 C ATOM 4 O SER A 16 -10.088 -16.787 -10.726 1.00 0.00 O ATOM 5 CB SER A 16 -11.615 -14.574 -10.350 1.00 0.00 C ATOM 6 OG SER A 16 -10.638 -14.214 -9.389 1.00 0.00 O ATOM 0 HA SER A 16 -10.342 -13.947 -11.985 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.372 -13.792 -10.414 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.124 -15.484 -10.032 1.00 0.00 H new ATOM 0 HG SER A 16 -11.069 -14.079 -8.519 1.00 0.00 H new ATOM 14 N PRO A 17 -9.366 -16.301 -12.801 1.00 0.00 N ATOM 15 CA PRO A 17 -8.488 -17.472 -12.905 1.00 0.00 C ATOM 16 C PRO A 17 -7.375 -17.453 -11.861 1.00 0.00 C ATOM 17 O PRO A 17 -7.340 -18.292 -10.963 1.00 0.00 O ATOM 18 CB PRO A 17 -7.898 -17.369 -14.318 1.00 0.00 C ATOM 19 CG PRO A 17 -8.791 -16.426 -15.050 1.00 0.00 C ATOM 20 CD PRO A 17 -9.325 -15.476 -14.018 1.00 0.00 C ATOM 0 HA PRO A 17 -9.033 -18.400 -12.730 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.873 -16.999 -14.290 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.872 -18.344 -14.805 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.242 -15.891 -15.825 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.602 -16.961 -15.545 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -8.678 -14.607 -13.895 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.313 -15.102 -14.286 1.00 0.00 H new ATOM 28 N THR A 18 -6.467 -16.489 -11.989 1.00 0.00 N ATOM 29 CA THR A 18 -5.354 -16.363 -11.061 1.00 0.00 C ATOM 30 C THR A 18 -5.840 -15.956 -9.672 1.00 0.00 C ATOM 31 O THR A 18 -6.831 -15.238 -9.540 1.00 0.00 O ATOM 32 CB THR A 18 -4.340 -15.340 -11.583 1.00 0.00 C ATOM 33 OG1 THR A 18 -4.580 -15.044 -12.947 1.00 0.00 O ATOM 34 CG2 THR A 18 -2.904 -15.806 -11.461 1.00 0.00 C ATOM 0 H THR A 18 -6.483 -15.785 -12.727 1.00 0.00 H new ATOM 0 HA THR A 18 -4.870 -17.336 -10.982 1.00 0.00 H new ATOM 0 HB THR A 18 -4.475 -14.457 -10.959 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.923 -14.388 -13.260 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.237 -15.036 -11.848 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.671 -15.995 -10.413 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.769 -16.724 -12.034 1.00 0.00 H new ATOM 42 N PRO A 19 -5.147 -16.411 -8.611 1.00 0.00 N ATOM 43 CA PRO A 19 -5.515 -16.090 -7.227 1.00 0.00 C ATOM 44 C PRO A 19 -5.330 -14.608 -6.896 1.00 0.00 C ATOM 45 O PRO A 19 -5.746 -14.148 -5.834 1.00 0.00 O ATOM 46 CB PRO A 19 -4.556 -16.942 -6.380 1.00 0.00 C ATOM 47 CG PRO A 19 -3.962 -17.933 -7.323 1.00 0.00 C ATOM 48 CD PRO A 19 -3.957 -17.272 -8.671 1.00 0.00 C ATOM 0 HA PRO A 19 -6.569 -16.297 -7.041 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.783 -16.324 -5.922 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.087 -17.441 -5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.951 -18.204 -7.018 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.547 -18.853 -7.342 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.047 -16.695 -8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.024 -18.000 -9.480 1.00 0.00 H new ATOM 56 N VAL A 20 -4.707 -13.868 -7.810 1.00 0.00 N ATOM 57 CA VAL A 20 -4.471 -12.450 -7.613 1.00 0.00 C ATOM 58 C VAL A 20 -4.232 -11.734 -8.938 1.00 0.00 C ATOM 59 O VAL A 20 -4.018 -12.368 -9.971 1.00 0.00 O ATOM 60 CB VAL A 20 -3.259 -12.196 -6.697 1.00 0.00 C ATOM 61 CG1 VAL A 20 -3.522 -12.720 -5.296 1.00 0.00 C ATOM 62 CG2 VAL A 20 -2.005 -12.825 -7.287 1.00 0.00 C ATOM 0 H VAL A 20 -4.357 -14.234 -8.696 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.371 -12.055 -7.141 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.100 -11.120 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.652 -12.529 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.391 -12.215 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.711 -13.793 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.158 -12.636 -6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.151 -13.900 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.806 -12.390 -8.266 1.00 0.00 H new ATOM 72 N GLU A 21 -4.253 -10.408 -8.890 1.00 0.00 N ATOM 73 CA GLU A 21 -4.025 -9.589 -10.073 1.00 0.00 C ATOM 74 C GLU A 21 -3.157 -8.389 -9.714 1.00 0.00 C ATOM 75 O GLU A 21 -3.503 -7.606 -8.830 1.00 0.00 O ATOM 76 CB GLU A 21 -5.355 -9.118 -10.663 1.00 0.00 C ATOM 77 CG GLU A 21 -6.134 -10.218 -11.364 1.00 0.00 C ATOM 78 CD GLU A 21 -5.801 -10.319 -12.840 1.00 0.00 C ATOM 79 OE1 GLU A 21 -5.850 -9.280 -13.532 1.00 0.00 O ATOM 80 OE2 GLU A 21 -5.493 -11.437 -13.305 1.00 0.00 O ATOM 0 H GLU A 21 -4.427 -9.874 -8.038 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.509 -10.191 -10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.969 -8.701 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.163 -8.312 -11.371 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.922 -11.172 -10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.202 -10.032 -11.248 1.00 0.00 H new ATOM 87 N LEU A 22 -2.022 -8.256 -10.391 1.00 0.00 N ATOM 88 CA LEU A 22 -1.106 -7.159 -10.123 1.00 0.00 C ATOM 89 C LEU A 22 -1.768 -5.807 -10.346 1.00 0.00 C ATOM 90 O LEU A 22 -2.481 -5.602 -11.331 1.00 0.00 O ATOM 91 CB LEU A 22 0.130 -7.284 -11.007 1.00 0.00 C ATOM 92 CG LEU A 22 1.252 -8.127 -10.414 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.465 -8.124 -11.331 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.628 -7.610 -9.033 1.00 0.00 C ATOM 0 H LEU A 22 -1.717 -8.893 -11.127 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.813 -7.219 -9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.165 -7.717 -11.963 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.515 -6.285 -11.215 1.00 0.00 H new ATOM 0 HG LEU A 22 0.898 -9.153 -10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.256 -8.731 -10.890 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.189 -8.536 -12.301 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.821 -7.102 -11.459 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.431 -8.222 -8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.963 -6.576 -9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.760 -7.662 -8.376 1.00 0.00 H new ATOM 106 N HIS A 23 -1.524 -4.887 -9.421 1.00 0.00 N ATOM 107 CA HIS A 23 -2.085 -3.550 -9.497 1.00 0.00 C ATOM 108 C HIS A 23 -1.173 -2.555 -8.778 1.00 0.00 C ATOM 109 O HIS A 23 -0.926 -2.678 -7.576 1.00 0.00 O ATOM 110 CB HIS A 23 -3.501 -3.545 -8.900 1.00 0.00 C ATOM 111 CG HIS A 23 -3.812 -2.364 -8.029 1.00 0.00 C ATOM 112 ND1 HIS A 23 -4.211 -2.300 -6.737 1.00 0.00 N flip ATOM 113 CD2 HIS A 23 -3.726 -1.060 -8.467 1.00 0.00 C flip ATOM 114 CE1 HIS A 23 -4.358 -0.972 -6.423 1.00 0.00 C flip ATOM 115 NE2 HIS A 23 -4.059 -0.244 -7.483 1.00 0.00 N flip ATOM 0 H HIS A 23 -0.935 -5.048 -8.604 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.155 -3.244 -10.541 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.224 -3.578 -9.715 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.637 -4.455 -8.316 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.432 -0.753 -9.460 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.668 -0.585 -5.464 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.081 0.775 -7.534 1.00 0.00 H new ATOM 124 N LYS A 24 -0.670 -1.577 -9.522 1.00 0.00 N ATOM 125 CA LYS A 24 0.218 -0.568 -8.958 1.00 0.00 C ATOM 126 C LYS A 24 -0.548 0.361 -8.022 1.00 0.00 C ATOM 127 O LYS A 24 -1.606 0.880 -8.377 1.00 0.00 O ATOM 128 CB LYS A 24 0.879 0.243 -10.074 1.00 0.00 C ATOM 129 CG LYS A 24 2.268 0.748 -9.718 1.00 0.00 C ATOM 130 CD LYS A 24 3.127 0.940 -10.960 1.00 0.00 C ATOM 131 CE LYS A 24 3.664 2.360 -11.055 1.00 0.00 C ATOM 132 NZ LYS A 24 2.568 3.359 -11.189 1.00 0.00 N ATOM 0 H LYS A 24 -0.862 -1.461 -10.517 1.00 0.00 H new ATOM 0 HA LYS A 24 0.992 -1.078 -8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.944 -0.374 -10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.244 1.094 -10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.186 1.693 -9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.752 0.040 -9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.959 0.236 -10.940 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.539 0.713 -11.849 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.254 2.585 -10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.334 2.439 -11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.939 4.225 -11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.810 2.966 -11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.188 3.585 -10.248 1.00 0.00 H new ATOM 146 N VAL A 25 -0.010 0.563 -6.823 1.00 0.00 N ATOM 147 CA VAL A 25 -0.651 1.426 -5.840 1.00 0.00 C ATOM 148 C VAL A 25 0.340 2.417 -5.242 1.00 0.00 C ATOM 149 O VAL A 25 1.490 2.078 -4.969 1.00 0.00 O ATOM 150 CB VAL A 25 -1.297 0.621 -4.690 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.744 1.038 -4.488 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.199 -0.879 -4.942 1.00 0.00 C ATOM 0 H VAL A 25 0.865 0.142 -6.511 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.432 1.964 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.744 0.843 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.179 0.459 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.786 2.099 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.306 0.856 -5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.662 -1.418 -4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.714 -1.126 -5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.151 -1.167 -5.021 1.00 0.00 H new ATOM 162 N THR A 26 -0.126 3.641 -5.031 1.00 0.00 N ATOM 163 CA THR A 26 0.696 4.692 -4.453 1.00 0.00 C ATOM 164 C THR A 26 -0.086 5.428 -3.371 1.00 0.00 C ATOM 165 O THR A 26 -1.005 6.192 -3.671 1.00 0.00 O ATOM 166 CB THR A 26 1.142 5.672 -5.536 1.00 0.00 C ATOM 167 OG1 THR A 26 1.856 5.002 -6.558 1.00 0.00 O ATOM 168 CG2 THR A 26 2.024 6.785 -5.012 1.00 0.00 C ATOM 0 H THR A 26 -1.078 3.930 -5.254 1.00 0.00 H new ATOM 0 HA THR A 26 1.581 4.240 -4.006 1.00 0.00 H new ATOM 0 HB THR A 26 0.222 6.111 -5.922 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.812 5.201 -6.474 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.304 7.444 -5.833 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.481 7.355 -4.258 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.923 6.358 -4.567 1.00 0.00 H new ATOM 176 N LEU A 27 0.269 5.189 -2.114 1.00 0.00 N ATOM 177 CA LEU A 27 -0.421 5.824 -0.997 1.00 0.00 C ATOM 178 C LEU A 27 0.435 6.908 -0.354 1.00 0.00 C ATOM 179 O LEU A 27 1.599 7.092 -0.711 1.00 0.00 O ATOM 180 CB LEU A 27 -0.802 4.777 0.048 1.00 0.00 C ATOM 181 CG LEU A 27 -1.523 3.548 -0.508 1.00 0.00 C ATOM 182 CD1 LEU A 27 -1.121 2.301 0.260 1.00 0.00 C ATOM 183 CD2 LEU A 27 -3.032 3.748 -0.452 1.00 0.00 C ATOM 0 H LEU A 27 1.027 4.563 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.323 6.294 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.103 4.449 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.440 5.247 0.797 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.230 3.417 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.644 1.437 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.045 2.150 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.385 2.420 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.531 2.865 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.340 3.903 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.306 4.619 -1.047 1.00 0.00 H new ATOM 195 N TYR A 28 -0.154 7.622 0.601 1.00 0.00 N ATOM 196 CA TYR A 28 0.547 8.689 1.304 1.00 0.00 C ATOM 197 C TYR A 28 0.544 8.436 2.809 1.00 0.00 C ATOM 198 O TYR A 28 -0.204 7.591 3.302 1.00 0.00 O ATOM 199 CB TYR A 28 -0.103 10.040 0.992 1.00 0.00 C ATOM 200 CG TYR A 28 -0.270 10.296 -0.488 1.00 0.00 C ATOM 201 CD1 TYR A 28 0.834 10.434 -1.318 1.00 0.00 C ATOM 202 CD2 TYR A 28 -1.535 10.398 -1.057 1.00 0.00 C ATOM 203 CE1 TYR A 28 0.685 10.667 -2.672 1.00 0.00 C ATOM 204 CE2 TYR A 28 -1.692 10.630 -2.410 1.00 0.00 C ATOM 205 CZ TYR A 28 -0.579 10.763 -3.213 1.00 0.00 C ATOM 206 OH TYR A 28 -0.731 10.994 -4.561 1.00 0.00 O ATOM 0 H TYR A 28 -1.117 7.480 0.905 1.00 0.00 H new ATOM 0 HA TYR A 28 1.582 8.707 0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.080 10.085 1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.503 10.836 1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.826 10.358 -0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.409 10.294 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.555 10.773 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.681 10.707 -2.836 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.685 11.033 -4.781 1.00 0.00 H new ATOM 216 N LYS A 29 1.389 9.162 3.537 1.00 0.00 N ATOM 217 CA LYS A 29 1.480 8.999 4.983 1.00 0.00 C ATOM 218 C LYS A 29 1.351 10.335 5.703 1.00 0.00 C ATOM 219 O LYS A 29 2.152 11.247 5.491 1.00 0.00 O ATOM 220 CB LYS A 29 2.812 8.335 5.359 1.00 0.00 C ATOM 221 CG LYS A 29 2.780 7.560 6.672 1.00 0.00 C ATOM 222 CD LYS A 29 1.527 6.710 6.801 1.00 0.00 C ATOM 223 CE LYS A 29 0.463 7.426 7.615 1.00 0.00 C ATOM 224 NZ LYS A 29 -0.881 7.345 6.976 1.00 0.00 N ATOM 0 H LYS A 29 2.018 9.866 3.150 1.00 0.00 H new ATOM 0 HA LYS A 29 0.654 8.361 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.105 7.657 4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.582 9.104 5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.660 6.920 6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.832 8.259 7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.137 6.479 5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.775 5.761 7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.416 6.990 8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.743 8.472 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.439 8.183 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.772 7.307 5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.370 6.488 7.304 1.00 0.00 H new ATOM 238 N ASP A 30 0.346 10.439 6.564 1.00 0.00 N ATOM 239 CA ASP A 30 0.118 11.659 7.328 1.00 0.00 C ATOM 240 C ASP A 30 1.135 11.778 8.459 1.00 0.00 C ATOM 241 O ASP A 30 1.321 10.844 9.240 1.00 0.00 O ATOM 242 CB ASP A 30 -1.303 11.674 7.896 1.00 0.00 C ATOM 243 CG ASP A 30 -1.916 13.061 7.883 1.00 0.00 C ATOM 244 OD1 ASP A 30 -1.934 13.690 6.805 1.00 0.00 O ATOM 245 OD2 ASP A 30 -2.378 13.517 8.951 1.00 0.00 O ATOM 0 H ASP A 30 -0.324 9.693 6.751 1.00 0.00 H new ATOM 0 HA ASP A 30 0.238 12.511 6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.930 10.997 7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.287 11.296 8.918 1.00 0.00 H new ATOM 250 N SER A 31 1.798 12.928 8.534 1.00 0.00 N ATOM 251 CA SER A 31 2.810 13.175 9.561 1.00 0.00 C ATOM 252 C SER A 31 2.337 12.724 10.942 1.00 0.00 C ATOM 253 O SER A 31 3.146 12.350 11.792 1.00 0.00 O ATOM 254 CB SER A 31 3.172 14.661 9.597 1.00 0.00 C ATOM 255 OG SER A 31 4.555 14.843 9.847 1.00 0.00 O ATOM 0 H SER A 31 1.653 13.708 7.893 1.00 0.00 H new ATOM 0 HA SER A 31 3.692 12.590 9.301 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.907 15.126 8.648 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.590 15.162 10.371 1.00 0.00 H new ATOM 0 HG SER A 31 4.761 15.801 9.863 1.00 0.00 H new ATOM 261 N GLY A 32 1.028 12.765 11.162 1.00 0.00 N ATOM 262 CA GLY A 32 0.482 12.361 12.443 1.00 0.00 C ATOM 263 C GLY A 32 0.224 10.869 12.529 1.00 0.00 C ATOM 264 O GLY A 32 0.444 10.254 13.572 1.00 0.00 O ATOM 0 H GLY A 32 0.336 13.070 10.477 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.172 12.652 13.235 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.450 12.897 12.620 1.00 0.00 H new ATOM 268 N MET A 33 -0.246 10.285 11.432 1.00 0.00 N ATOM 269 CA MET A 33 -0.537 8.856 11.391 1.00 0.00 C ATOM 270 C MET A 33 0.724 8.044 11.116 1.00 0.00 C ATOM 271 O MET A 33 1.614 8.486 10.390 1.00 0.00 O ATOM 272 CB MET A 33 -1.589 8.562 10.319 1.00 0.00 C ATOM 273 CG MET A 33 -3.016 8.793 10.788 1.00 0.00 C ATOM 274 SD MET A 33 -3.673 10.385 10.256 1.00 0.00 S ATOM 275 CE MET A 33 -3.478 11.350 11.752 1.00 0.00 C ATOM 0 H MET A 33 -0.434 10.779 10.559 1.00 0.00 H new ATOM 0 HA MET A 33 -0.925 8.564 12.367 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.395 9.190 9.449 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.485 7.527 9.994 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.653 7.995 10.406 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.051 8.735 11.876 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.195 12.370 11.493 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.419 11.363 12.302 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.701 10.905 12.373 1.00 0.00 H new ATOM 285 N GLU A 34 0.790 6.847 11.694 1.00 0.00 N ATOM 286 CA GLU A 34 1.938 5.969 11.505 1.00 0.00 C ATOM 287 C GLU A 34 1.606 4.858 10.519 1.00 0.00 C ATOM 288 O GLU A 34 2.459 4.405 9.755 1.00 0.00 O ATOM 289 CB GLU A 34 2.380 5.370 12.841 1.00 0.00 C ATOM 290 CG GLU A 34 3.788 4.798 12.813 1.00 0.00 C ATOM 291 CD GLU A 34 4.850 5.852 13.054 1.00 0.00 C ATOM 292 OE1 GLU A 34 5.002 6.288 14.214 1.00 0.00 O ATOM 293 OE2 GLU A 34 5.531 6.242 12.081 1.00 0.00 O ATOM 0 H GLU A 34 0.061 6.464 12.297 1.00 0.00 H new ATOM 0 HA GLU A 34 2.757 6.562 11.099 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.324 6.139 13.611 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.682 4.583 13.126 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.875 4.020 13.571 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.964 4.324 11.848 1.00 0.00 H new ATOM 300 N ASP A 35 0.353 4.435 10.541 1.00 0.00 N ATOM 301 CA ASP A 35 -0.124 3.384 9.650 1.00 0.00 C ATOM 302 C ASP A 35 -0.540 3.977 8.308 1.00 0.00 C ATOM 303 O ASP A 35 -0.924 5.144 8.233 1.00 0.00 O ATOM 304 CB ASP A 35 -1.299 2.638 10.286 1.00 0.00 C ATOM 305 CG ASP A 35 -0.941 1.216 10.668 1.00 0.00 C ATOM 306 OD1 ASP A 35 -0.178 0.574 9.916 1.00 0.00 O ATOM 307 OD2 ASP A 35 -1.425 0.744 11.718 1.00 0.00 O ATOM 0 H ASP A 35 -0.359 4.805 11.171 1.00 0.00 H new ATOM 0 HA ASP A 35 0.688 2.676 9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.631 3.177 11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.137 2.624 9.589 1.00 0.00 H new ATOM 312 N PHE A 36 -0.457 3.177 7.251 1.00 0.00 N ATOM 313 CA PHE A 36 -0.821 3.645 5.918 1.00 0.00 C ATOM 314 C PHE A 36 -2.293 3.376 5.609 1.00 0.00 C ATOM 315 O PHE A 36 -2.714 3.456 4.454 1.00 0.00 O ATOM 316 CB PHE A 36 0.069 2.988 4.865 1.00 0.00 C ATOM 317 CG PHE A 36 1.072 3.933 4.273 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.720 4.771 3.228 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.366 3.989 4.767 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.640 5.646 2.686 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.290 4.863 4.227 1.00 0.00 C ATOM 322 CZ PHE A 36 2.926 5.693 3.185 1.00 0.00 C ATOM 0 H PHE A 36 -0.143 2.207 7.290 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.668 4.724 5.892 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.594 2.145 5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.557 2.585 4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.285 4.740 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.655 3.343 5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.353 6.294 1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.296 4.897 4.619 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.646 6.377 2.761 1.00 0.00 H new ATOM 332 N GLY A 37 -3.075 3.073 6.640 1.00 0.00 N ATOM 333 CA GLY A 37 -4.490 2.820 6.445 1.00 0.00 C ATOM 334 C GLY A 37 -4.791 1.407 5.984 1.00 0.00 C ATOM 335 O GLY A 37 -5.836 1.162 5.382 1.00 0.00 O ATOM 0 H GLY A 37 -2.754 2.998 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.018 3.009 7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.880 3.525 5.710 1.00 0.00 H new ATOM 339 N PHE A 38 -3.891 0.473 6.265 1.00 0.00 N ATOM 340 CA PHE A 38 -4.100 -0.916 5.872 1.00 0.00 C ATOM 341 C PHE A 38 -3.005 -1.827 6.426 1.00 0.00 C ATOM 342 O PHE A 38 -1.825 -1.652 6.124 1.00 0.00 O ATOM 343 CB PHE A 38 -4.199 -1.032 4.343 1.00 0.00 C ATOM 344 CG PHE A 38 -2.881 -1.132 3.620 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.306 -2.368 3.374 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.233 0.005 3.161 1.00 0.00 C ATOM 347 CE1 PHE A 38 -1.112 -2.470 2.687 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.034 -0.092 2.477 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.475 -1.334 2.238 1.00 0.00 C ATOM 0 H PHE A 38 -3.016 0.649 6.759 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.044 -1.249 6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.796 -1.911 4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.739 -0.164 3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.798 -3.264 3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.669 0.977 3.339 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.677 -3.441 2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.535 0.801 2.130 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.459 -1.413 1.701 1.00 0.00 H new ATOM 359 N SER A 39 -3.411 -2.803 7.238 1.00 0.00 N ATOM 360 CA SER A 39 -2.472 -3.745 7.835 1.00 0.00 C ATOM 361 C SER A 39 -2.319 -4.979 6.957 1.00 0.00 C ATOM 362 O SER A 39 -3.221 -5.320 6.190 1.00 0.00 O ATOM 363 CB SER A 39 -2.945 -4.154 9.232 1.00 0.00 C ATOM 364 OG SER A 39 -3.096 -3.022 10.072 1.00 0.00 O ATOM 0 H SER A 39 -4.385 -2.960 7.496 1.00 0.00 H new ATOM 0 HA SER A 39 -1.502 -3.254 7.919 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.894 -4.684 9.157 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.228 -4.846 9.674 1.00 0.00 H new ATOM 0 HG SER A 39 -3.401 -3.310 10.958 1.00 0.00 H new ATOM 370 N VAL A 40 -1.171 -5.641 7.065 1.00 0.00 N ATOM 371 CA VAL A 40 -0.901 -6.830 6.268 1.00 0.00 C ATOM 372 C VAL A 40 -0.837 -8.088 7.134 1.00 0.00 C ATOM 373 O VAL A 40 -0.840 -8.013 8.362 1.00 0.00 O ATOM 374 CB VAL A 40 0.415 -6.687 5.480 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.365 -5.461 4.581 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.605 -6.614 6.425 1.00 0.00 C ATOM 0 H VAL A 40 -0.415 -5.374 7.696 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.729 -6.930 5.566 1.00 0.00 H new ATOM 0 HB VAL A 40 0.537 -7.570 4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.302 -5.374 4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.461 -5.560 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.218 -4.569 5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.523 -6.513 5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.494 -5.752 7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.651 -7.524 7.023 1.00 0.00 H new ATOM 386 N ALA A 41 -0.782 -9.243 6.475 1.00 0.00 N ATOM 387 CA ALA A 41 -0.719 -10.524 7.170 1.00 0.00 C ATOM 388 C ALA A 41 0.260 -11.472 6.483 1.00 0.00 C ATOM 389 O ALA A 41 0.653 -11.251 5.339 1.00 0.00 O ATOM 390 CB ALA A 41 -2.101 -11.154 7.236 1.00 0.00 C ATOM 0 H ALA A 41 -0.780 -9.317 5.458 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.362 -10.343 8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.041 -12.110 7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.778 -10.490 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.476 -11.315 6.225 1.00 0.00 H new ATOM 396 N ASP A 42 0.646 -12.532 7.187 1.00 0.00 N ATOM 397 CA ASP A 42 1.577 -13.513 6.642 1.00 0.00 C ATOM 398 C ASP A 42 0.901 -14.373 5.578 1.00 0.00 C ATOM 399 O ASP A 42 -0.319 -14.537 5.581 1.00 0.00 O ATOM 400 CB ASP A 42 2.124 -14.403 7.759 1.00 0.00 C ATOM 401 CG ASP A 42 3.262 -15.289 7.288 1.00 0.00 C ATOM 402 OD1 ASP A 42 4.137 -14.788 6.550 1.00 0.00 O ATOM 403 OD2 ASP A 42 3.278 -16.481 7.657 1.00 0.00 O ATOM 0 H ASP A 42 0.328 -12.733 8.135 1.00 0.00 H new ATOM 0 HA ASP A 42 2.403 -12.974 6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.471 -13.777 8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.320 -15.026 8.150 1.00 0.00 H new ATOM 408 N GLY A 43 1.703 -14.917 4.668 1.00 0.00 N ATOM 409 CA GLY A 43 1.166 -15.752 3.609 1.00 0.00 C ATOM 410 C GLY A 43 1.887 -17.082 3.500 1.00 0.00 C ATOM 411 O GLY A 43 3.041 -17.136 3.070 1.00 0.00 O ATOM 0 H GLY A 43 2.715 -14.794 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.106 -15.930 3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.241 -15.222 2.659 1.00 0.00 H new ATOM 415 N LEU A 44 1.209 -18.157 3.888 1.00 0.00 N ATOM 416 CA LEU A 44 1.794 -19.491 3.832 1.00 0.00 C ATOM 417 C LEU A 44 1.429 -20.198 2.533 1.00 0.00 C ATOM 418 O LEU A 44 2.145 -21.087 2.072 1.00 0.00 O ATOM 419 CB LEU A 44 1.335 -20.327 5.028 1.00 0.00 C ATOM 420 CG LEU A 44 1.725 -19.767 6.398 1.00 0.00 C ATOM 421 CD1 LEU A 44 0.940 -20.461 7.499 1.00 0.00 C ATOM 422 CD2 LEU A 44 3.221 -19.919 6.628 1.00 0.00 C ATOM 0 H LEU A 44 0.254 -18.130 4.245 1.00 0.00 H new ATOM 0 HA LEU A 44 2.878 -19.381 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.250 -20.425 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.750 -21.330 4.931 1.00 0.00 H new ATOM 0 HG LEU A 44 1.481 -18.705 6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.230 -20.051 8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.127 -20.301 7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.153 -21.530 7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.481 -19.516 7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.490 -20.974 6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.765 -19.376 5.855 1.00 0.00 H new ATOM 434 N LEU A 45 0.310 -19.797 1.951 1.00 0.00 N ATOM 435 CA LEU A 45 -0.160 -20.385 0.702 1.00 0.00 C ATOM 436 C LEU A 45 0.507 -19.736 -0.509 1.00 0.00 C ATOM 437 O LEU A 45 0.327 -20.185 -1.640 1.00 0.00 O ATOM 438 CB LEU A 45 -1.681 -20.251 0.593 1.00 0.00 C ATOM 439 CG LEU A 45 -2.307 -20.953 -0.615 1.00 0.00 C ATOM 440 CD1 LEU A 45 -1.894 -22.416 -0.655 1.00 0.00 C ATOM 441 CD2 LEU A 45 -3.821 -20.825 -0.579 1.00 0.00 C ATOM 0 H LEU A 45 -0.293 -19.064 2.324 1.00 0.00 H new ATOM 0 HA LEU A 45 0.111 -21.441 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.132 -20.651 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.935 -19.192 0.551 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.943 -20.470 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.348 -22.899 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.809 -22.486 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.228 -22.913 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.249 -21.330 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.203 -21.283 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.098 -19.771 -0.600 1.00 0.00 H new ATOM 453 N GLU A 46 1.278 -18.678 -0.266 1.00 0.00 N ATOM 454 CA GLU A 46 1.965 -17.973 -1.343 1.00 0.00 C ATOM 455 C GLU A 46 3.229 -17.289 -0.828 1.00 0.00 C ATOM 456 O GLU A 46 3.666 -16.282 -1.386 1.00 0.00 O ATOM 457 CB GLU A 46 1.041 -16.932 -1.984 1.00 0.00 C ATOM 458 CG GLU A 46 -0.428 -17.328 -1.987 1.00 0.00 C ATOM 459 CD GLU A 46 -1.298 -16.337 -2.733 1.00 0.00 C ATOM 460 OE1 GLU A 46 -1.670 -15.305 -2.133 1.00 0.00 O ATOM 461 OE2 GLU A 46 -1.608 -16.589 -3.916 1.00 0.00 O ATOM 0 H GLU A 46 1.442 -18.292 0.664 1.00 0.00 H new ATOM 0 HA GLU A 46 2.246 -18.710 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.151 -15.987 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.362 -16.759 -3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.534 -18.313 -2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.780 -17.412 -0.959 1.00 0.00 H new ATOM 468 N LYS A 47 3.809 -17.848 0.238 1.00 0.00 N ATOM 469 CA LYS A 47 5.028 -17.311 0.851 1.00 0.00 C ATOM 470 C LYS A 47 5.179 -15.809 0.612 1.00 0.00 C ATOM 471 O LYS A 47 5.943 -15.380 -0.252 1.00 0.00 O ATOM 472 CB LYS A 47 6.254 -18.046 0.309 1.00 0.00 C ATOM 473 CG LYS A 47 6.768 -19.137 1.235 1.00 0.00 C ATOM 474 CD LYS A 47 7.509 -18.553 2.429 1.00 0.00 C ATOM 475 CE LYS A 47 6.675 -18.633 3.698 1.00 0.00 C ATOM 476 NZ LYS A 47 6.715 -17.361 4.471 1.00 0.00 N ATOM 0 H LYS A 47 3.448 -18.683 0.699 1.00 0.00 H new ATOM 0 HA LYS A 47 4.948 -17.468 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.005 -18.487 -0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.052 -17.324 0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.932 -19.742 1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.433 -19.801 0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.446 -19.090 2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.765 -17.513 2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.643 -18.868 3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.041 -19.448 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.134 -17.457 5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.697 -17.149 4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.342 -16.587 3.885 1.00 0.00 H new ATOM 490 N GLY A 48 4.442 -15.017 1.383 1.00 0.00 N ATOM 491 CA GLY A 48 4.506 -13.575 1.241 1.00 0.00 C ATOM 492 C GLY A 48 3.646 -12.854 2.259 1.00 0.00 C ATOM 493 O GLY A 48 3.410 -13.366 3.355 1.00 0.00 O ATOM 0 H GLY A 48 3.801 -15.348 2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.540 -13.248 1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.185 -13.297 0.237 1.00 0.00 H new ATOM 497 N VAL A 49 3.175 -11.665 1.900 1.00 0.00 N ATOM 498 CA VAL A 49 2.336 -10.877 2.793 1.00 0.00 C ATOM 499 C VAL A 49 1.272 -10.108 2.017 1.00 0.00 C ATOM 500 O VAL A 49 1.545 -9.550 0.954 1.00 0.00 O ATOM 501 CB VAL A 49 3.174 -9.878 3.614 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.313 -9.189 4.661 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.355 -10.578 4.266 1.00 0.00 C ATOM 0 H VAL A 49 3.360 -11.227 0.998 1.00 0.00 H new ATOM 0 HA VAL A 49 1.851 -11.580 3.470 1.00 0.00 H new ATOM 0 HB VAL A 49 3.560 -9.117 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.923 -8.488 5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.504 -8.649 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.894 -9.935 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.934 -9.855 4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.992 -11.363 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.987 -11.019 3.495 1.00 0.00 H new ATOM 513 N TYR A 50 0.059 -10.084 2.559 1.00 0.00 N ATOM 514 CA TYR A 50 -1.053 -9.380 1.923 1.00 0.00 C ATOM 515 C TYR A 50 -1.755 -8.481 2.931 1.00 0.00 C ATOM 516 O TYR A 50 -1.433 -8.499 4.117 1.00 0.00 O ATOM 517 CB TYR A 50 -2.058 -10.371 1.321 1.00 0.00 C ATOM 518 CG TYR A 50 -1.558 -11.797 1.249 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.380 -12.108 0.584 1.00 0.00 C ATOM 520 CD2 TYR A 50 -2.266 -12.830 1.847 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.077 -13.409 0.514 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.815 -14.135 1.784 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.643 -14.418 1.117 1.00 0.00 C ATOM 524 OH TYR A 50 -0.190 -15.716 1.049 1.00 0.00 O ATOM 0 H TYR A 50 -0.181 -10.544 3.437 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.647 -8.767 1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.973 -10.348 1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.321 -10.039 0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.188 -11.319 0.114 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.185 -12.611 2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.994 -13.635 -0.010 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.378 -14.928 2.255 1.00 0.00 H new ATOM 0 HH TYR A 50 0.746 -15.721 0.759 1.00 0.00 H new ATOM 534 N VAL A 51 -2.714 -7.695 2.456 1.00 0.00 N ATOM 535 CA VAL A 51 -3.454 -6.790 3.325 1.00 0.00 C ATOM 536 C VAL A 51 -4.525 -7.534 4.114 1.00 0.00 C ATOM 537 O VAL A 51 -5.399 -8.183 3.541 1.00 0.00 O ATOM 538 CB VAL A 51 -4.110 -5.651 2.523 1.00 0.00 C ATOM 539 CG1 VAL A 51 -4.872 -4.707 3.445 1.00 0.00 C ATOM 540 CG2 VAL A 51 -3.055 -4.898 1.730 1.00 0.00 C ATOM 0 H VAL A 51 -2.996 -7.666 1.476 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.733 -6.361 4.021 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.826 -6.085 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.327 -3.911 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.651 -5.261 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.184 -4.273 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.528 -4.094 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.318 -4.476 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.561 -5.582 1.041 1.00 0.00 H new ATOM 550 N LYS A 52 -4.447 -7.428 5.435 1.00 0.00 N ATOM 551 CA LYS A 52 -5.402 -8.080 6.316 1.00 0.00 C ATOM 552 C LYS A 52 -6.598 -7.174 6.582 1.00 0.00 C ATOM 553 O LYS A 52 -7.710 -7.646 6.816 1.00 0.00 O ATOM 554 CB LYS A 52 -4.714 -8.464 7.632 1.00 0.00 C ATOM 555 CG LYS A 52 -5.667 -8.894 8.739 1.00 0.00 C ATOM 556 CD LYS A 52 -5.871 -10.401 8.745 1.00 0.00 C ATOM 557 CE LYS A 52 -6.493 -10.884 7.444 1.00 0.00 C ATOM 558 NZ LYS A 52 -7.487 -11.968 7.672 1.00 0.00 N ATOM 0 H LYS A 52 -3.727 -6.893 5.920 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.768 -8.984 5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.013 -9.276 7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.129 -7.614 7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.273 -8.575 9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.628 -8.396 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.913 -10.898 8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.512 -10.679 9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.978 -10.047 6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.709 -11.245 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.888 -12.269 6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.020 -12.777 8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.249 -11.616 8.286 1.00 0.00 H new ATOM 572 N ASN A 53 -6.357 -5.875 6.546 1.00 0.00 N ATOM 573 CA ASN A 53 -7.413 -4.898 6.786 1.00 0.00 C ATOM 574 C ASN A 53 -7.067 -3.545 6.174 1.00 0.00 C ATOM 575 O ASN A 53 -5.896 -3.221 5.977 1.00 0.00 O ATOM 576 CB ASN A 53 -7.653 -4.736 8.288 1.00 0.00 C ATOM 577 CG ASN A 53 -8.557 -5.816 8.849 1.00 0.00 C ATOM 578 OD1 ASN A 53 -7.963 -6.786 9.532 1.00 0.00 O flip ATOM 579 ND2 ASN A 53 -9.775 -5.777 8.672 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.441 -5.469 6.353 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.321 -5.268 6.310 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.697 -4.759 8.810 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.097 -3.759 8.479 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.189 -5.011 8.140 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.370 -6.510 9.058 1.00 0.00 H new ATOM 586 N ILE A 54 -8.100 -2.761 5.877 1.00 0.00 N ATOM 587 CA ILE A 54 -7.921 -1.441 5.290 1.00 0.00 C ATOM 588 C ILE A 54 -8.866 -0.433 5.939 1.00 0.00 C ATOM 589 O ILE A 54 -10.064 -0.684 6.067 1.00 0.00 O ATOM 590 CB ILE A 54 -8.171 -1.475 3.769 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.185 -2.443 3.090 1.00 0.00 C ATOM 592 CG2 ILE A 54 -8.076 -0.071 3.177 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.273 -1.801 2.062 1.00 0.00 C ATOM 0 H ILE A 54 -9.074 -3.021 6.035 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.890 -1.135 5.470 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.181 -1.841 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.570 -2.912 3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.752 -3.238 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.255 -0.116 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.823 0.572 3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.082 0.335 3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.614 -2.558 1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.875 -1.357 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.674 -1.026 2.540 1.00 0.00 H new ATOM 605 N ARG A 55 -8.319 0.707 6.351 1.00 0.00 N ATOM 606 CA ARG A 55 -9.113 1.749 6.989 1.00 0.00 C ATOM 607 C ARG A 55 -10.149 2.317 6.017 1.00 0.00 C ATOM 608 O ARG A 55 -9.807 2.725 4.908 1.00 0.00 O ATOM 609 CB ARG A 55 -8.206 2.872 7.494 1.00 0.00 C ATOM 610 CG ARG A 55 -8.915 3.866 8.401 1.00 0.00 C ATOM 611 CD ARG A 55 -8.719 5.298 7.924 1.00 0.00 C ATOM 612 NE ARG A 55 -8.470 6.216 9.034 1.00 0.00 N ATOM 613 CZ ARG A 55 -9.417 6.658 9.858 1.00 0.00 C ATOM 614 NH1 ARG A 55 -10.677 6.268 9.703 1.00 0.00 N ATOM 615 NH2 ARG A 55 -9.104 7.493 10.840 1.00 0.00 N ATOM 0 H ARG A 55 -7.329 0.932 6.254 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.638 1.304 7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.367 2.434 8.034 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.791 3.405 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.980 3.635 8.433 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.536 3.766 9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.882 5.337 7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.604 5.622 7.377 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.514 6.537 9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.923 5.626 8.949 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.398 6.610 10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.138 7.796 10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.829 7.832 11.472 1.00 0.00 H new ATOM 629 N PRO A 56 -11.433 2.350 6.419 1.00 0.00 N ATOM 630 CA PRO A 56 -12.511 2.871 5.570 1.00 0.00 C ATOM 631 C PRO A 56 -12.253 4.305 5.119 1.00 0.00 C ATOM 632 O PRO A 56 -11.773 5.133 5.895 1.00 0.00 O ATOM 633 CB PRO A 56 -13.747 2.811 6.470 1.00 0.00 C ATOM 634 CG PRO A 56 -13.421 1.789 7.502 1.00 0.00 C ATOM 635 CD PRO A 56 -11.939 1.884 7.723 1.00 0.00 C ATOM 0 HA PRO A 56 -12.612 2.295 4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.952 3.780 6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.635 2.531 5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.967 1.980 8.426 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.702 0.791 7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.695 2.583 8.523 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.511 0.921 8.000 1.00 0.00 H new ATOM 643 N ALA A 57 -12.581 4.592 3.859 1.00 0.00 N ATOM 644 CA ALA A 57 -12.396 5.925 3.285 1.00 0.00 C ATOM 645 C ALA A 57 -11.091 6.570 3.749 1.00 0.00 C ATOM 646 O ALA A 57 -11.014 7.788 3.909 1.00 0.00 O ATOM 647 CB ALA A 57 -13.577 6.816 3.638 1.00 0.00 C ATOM 0 H ALA A 57 -12.980 3.912 3.211 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.339 5.812 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.428 7.805 3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.493 6.380 3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.657 6.902 4.722 1.00 0.00 H new ATOM 653 N GLY A 58 -10.071 5.746 3.958 1.00 0.00 N ATOM 654 CA GLY A 58 -8.785 6.255 4.394 1.00 0.00 C ATOM 655 C GLY A 58 -7.743 6.204 3.292 1.00 0.00 C ATOM 656 O GLY A 58 -8.091 6.092 2.117 1.00 0.00 O ATOM 0 H GLY A 58 -10.112 4.734 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.900 7.284 4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.437 5.674 5.248 1.00 0.00 H new ATOM 660 N PRO A 59 -6.448 6.284 3.640 1.00 0.00 N ATOM 661 CA PRO A 59 -5.366 6.243 2.652 1.00 0.00 C ATOM 662 C PRO A 59 -5.405 4.971 1.808 1.00 0.00 C ATOM 663 O PRO A 59 -5.220 5.015 0.592 1.00 0.00 O ATOM 664 CB PRO A 59 -4.093 6.280 3.505 1.00 0.00 C ATOM 665 CG PRO A 59 -4.519 6.865 4.809 1.00 0.00 C ATOM 666 CD PRO A 59 -5.939 6.420 5.014 1.00 0.00 C ATOM 0 HA PRO A 59 -5.436 7.064 1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.678 5.281 3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.320 6.887 3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.880 6.518 5.621 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.449 7.953 4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.991 5.477 5.558 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.512 7.150 5.586 1.00 0.00 H new ATOM 674 N GLY A 60 -5.647 3.841 2.465 1.00 0.00 N ATOM 675 CA GLY A 60 -5.703 2.572 1.762 1.00 0.00 C ATOM 676 C GLY A 60 -6.871 2.486 0.796 1.00 0.00 C ATOM 677 O GLY A 60 -6.711 2.041 -0.341 1.00 0.00 O ATOM 0 H GLY A 60 -5.805 3.781 3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.772 2.424 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.778 1.762 2.488 1.00 0.00 H new ATOM 681 N ASP A 61 -8.047 2.913 1.247 1.00 0.00 N ATOM 682 CA ASP A 61 -9.239 2.883 0.410 1.00 0.00 C ATOM 683 C ASP A 61 -9.170 3.971 -0.650 1.00 0.00 C ATOM 684 O ASP A 61 -9.674 3.807 -1.762 1.00 0.00 O ATOM 685 CB ASP A 61 -10.495 3.061 1.267 1.00 0.00 C ATOM 686 CG ASP A 61 -11.115 1.737 1.664 1.00 0.00 C ATOM 687 OD1 ASP A 61 -10.972 0.760 0.900 1.00 0.00 O ATOM 688 OD2 ASP A 61 -11.746 1.677 2.741 1.00 0.00 O ATOM 0 H ASP A 61 -8.198 3.283 2.185 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.288 1.914 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.242 3.625 2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.227 3.651 0.716 1.00 0.00 H new ATOM 693 N LEU A 62 -8.541 5.084 -0.296 1.00 0.00 N ATOM 694 CA LEU A 62 -8.400 6.205 -1.213 1.00 0.00 C ATOM 695 C LEU A 62 -7.482 5.840 -2.375 1.00 0.00 C ATOM 696 O LEU A 62 -7.646 6.340 -3.489 1.00 0.00 O ATOM 697 CB LEU A 62 -7.855 7.430 -0.476 1.00 0.00 C ATOM 698 CG LEU A 62 -8.886 8.205 0.345 1.00 0.00 C ATOM 699 CD1 LEU A 62 -8.204 9.252 1.210 1.00 0.00 C ATOM 700 CD2 LEU A 62 -9.915 8.853 -0.570 1.00 0.00 C ATOM 0 H LEU A 62 -8.120 5.234 0.621 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.385 6.444 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.053 7.108 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.412 8.107 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.402 7.504 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.955 9.793 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.506 8.764 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.661 9.952 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.642 9.401 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.414 9.541 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.427 8.082 -1.145 1.00 0.00 H new ATOM 712 N GLY A 63 -6.519 4.965 -2.108 1.00 0.00 N ATOM 713 CA GLY A 63 -5.591 4.546 -3.141 1.00 0.00 C ATOM 714 C GLY A 63 -6.165 3.457 -4.026 1.00 0.00 C ATOM 715 O GLY A 63 -5.947 3.452 -5.237 1.00 0.00 O ATOM 0 H GLY A 63 -6.365 4.538 -1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.323 5.406 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.673 4.187 -2.677 1.00 0.00 H new ATOM 719 N GLY A 64 -6.902 2.532 -3.419 1.00 0.00 N ATOM 720 CA GLY A 64 -7.501 1.446 -4.173 1.00 0.00 C ATOM 721 C GLY A 64 -6.983 0.086 -3.746 1.00 0.00 C ATOM 722 O GLY A 64 -6.894 -0.835 -4.559 1.00 0.00 O ATOM 0 H GLY A 64 -7.095 2.515 -2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.583 1.475 -4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.300 1.591 -5.234 1.00 0.00 H new ATOM 726 N LEU A 65 -6.640 -0.040 -2.469 1.00 0.00 N ATOM 727 CA LEU A 65 -6.127 -1.297 -1.934 1.00 0.00 C ATOM 728 C LEU A 65 -7.268 -2.239 -1.560 1.00 0.00 C ATOM 729 O LEU A 65 -8.135 -1.893 -0.759 1.00 0.00 O ATOM 730 CB LEU A 65 -5.252 -1.033 -0.708 1.00 0.00 C ATOM 731 CG LEU A 65 -3.907 -0.366 -1.000 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.368 0.317 0.247 1.00 0.00 C ATOM 733 CD2 LEU A 65 -2.911 -1.388 -1.526 1.00 0.00 C ATOM 0 H LEU A 65 -6.708 0.713 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.526 -1.772 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.808 -0.404 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.067 -1.981 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.057 0.394 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.411 0.786 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.075 1.077 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.232 -0.422 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.959 -0.897 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.765 -2.170 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.295 -1.830 -2.446 1.00 0.00 H new ATOM 745 N LYS A 66 -7.257 -3.435 -2.141 1.00 0.00 N ATOM 746 CA LYS A 66 -8.286 -4.431 -1.864 1.00 0.00 C ATOM 747 C LYS A 66 -7.685 -5.637 -1.143 1.00 0.00 C ATOM 748 O LYS A 66 -6.594 -6.089 -1.487 1.00 0.00 O ATOM 749 CB LYS A 66 -8.957 -4.880 -3.162 1.00 0.00 C ATOM 750 CG LYS A 66 -9.366 -3.729 -4.067 1.00 0.00 C ATOM 751 CD LYS A 66 -10.719 -3.159 -3.667 1.00 0.00 C ATOM 752 CE LYS A 66 -11.282 -2.252 -4.748 1.00 0.00 C ATOM 753 NZ LYS A 66 -12.207 -2.979 -5.663 1.00 0.00 N ATOM 0 H LYS A 66 -6.546 -3.738 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.037 -3.976 -1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.275 -5.534 -3.706 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.840 -5.471 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.611 -2.944 -4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.406 -4.074 -5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.416 -3.974 -3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.619 -2.600 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.812 -1.420 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.462 -1.825 -5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.568 -2.323 -6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.696 -3.757 -6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.003 -3.365 -5.117 1.00 0.00 H new ATOM 767 N PRO A 67 -8.389 -6.177 -0.128 1.00 0.00 N ATOM 768 CA PRO A 67 -7.918 -7.330 0.643 1.00 0.00 C ATOM 769 C PRO A 67 -7.252 -8.398 -0.221 1.00 0.00 C ATOM 770 O PRO A 67 -7.712 -8.689 -1.326 1.00 0.00 O ATOM 771 CB PRO A 67 -9.205 -7.867 1.262 1.00 0.00 C ATOM 772 CG PRO A 67 -10.051 -6.658 1.464 1.00 0.00 C ATOM 773 CD PRO A 67 -9.703 -5.700 0.349 1.00 0.00 C ATOM 0 HA PRO A 67 -7.151 -7.052 1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.692 -8.587 0.605 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.010 -8.377 2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.110 -6.916 1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.857 -6.207 2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.449 -5.723 -0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.650 -4.672 0.707 1.00 0.00 H new ATOM 781 N TYR A 68 -6.162 -8.970 0.299 1.00 0.00 N ATOM 782 CA TYR A 68 -5.397 -10.015 -0.394 1.00 0.00 C ATOM 783 C TYR A 68 -4.313 -9.419 -1.290 1.00 0.00 C ATOM 784 O TYR A 68 -3.424 -10.135 -1.749 1.00 0.00 O ATOM 785 CB TYR A 68 -6.310 -10.934 -1.214 1.00 0.00 C ATOM 786 CG TYR A 68 -7.441 -11.532 -0.408 1.00 0.00 C ATOM 787 CD1 TYR A 68 -7.183 -12.415 0.632 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.763 -11.209 -0.683 1.00 0.00 C ATOM 789 CE1 TYR A 68 -8.210 -12.963 1.374 1.00 0.00 C ATOM 790 CE2 TYR A 68 -9.796 -11.753 0.056 1.00 0.00 C ATOM 791 CZ TYR A 68 -9.515 -12.629 1.083 1.00 0.00 C ATOM 792 OH TYR A 68 -10.542 -13.173 1.821 1.00 0.00 O ATOM 0 H TYR A 68 -5.783 -8.722 1.213 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.913 -10.612 0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.727 -10.369 -2.048 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.713 -11.740 -1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.161 -12.678 0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.987 -10.523 -1.486 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.992 -13.650 2.178 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.820 -11.493 -0.170 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.399 -12.834 1.488 1.00 0.00 H new ATOM 802 N ASP A 69 -4.385 -8.111 -1.529 1.00 0.00 N ATOM 803 CA ASP A 69 -3.400 -7.426 -2.362 1.00 0.00 C ATOM 804 C ASP A 69 -1.993 -7.654 -1.824 1.00 0.00 C ATOM 805 O ASP A 69 -1.467 -6.846 -1.057 1.00 0.00 O ATOM 806 CB ASP A 69 -3.703 -5.928 -2.446 1.00 0.00 C ATOM 807 CG ASP A 69 -3.993 -5.306 -1.095 1.00 0.00 C ATOM 808 OD1 ASP A 69 -4.550 -6.006 -0.228 1.00 0.00 O ATOM 809 OD2 ASP A 69 -3.661 -4.117 -0.906 1.00 0.00 O ATOM 0 H ASP A 69 -5.116 -7.504 -1.157 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.459 -7.843 -3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.855 -5.416 -2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.559 -5.772 -3.103 1.00 0.00 H new ATOM 814 N ARG A 70 -1.396 -8.765 -2.228 1.00 0.00 N ATOM 815 CA ARG A 70 -0.055 -9.125 -1.794 1.00 0.00 C ATOM 816 C ARG A 70 0.976 -8.144 -2.344 1.00 0.00 C ATOM 817 O ARG A 70 1.134 -8.015 -3.556 1.00 0.00 O ATOM 818 CB ARG A 70 0.256 -10.547 -2.259 1.00 0.00 C ATOM 819 CG ARG A 70 1.687 -10.990 -1.986 1.00 0.00 C ATOM 820 CD ARG A 70 2.321 -11.605 -3.223 1.00 0.00 C ATOM 821 NE ARG A 70 1.629 -12.823 -3.643 1.00 0.00 N ATOM 822 CZ ARG A 70 1.601 -13.269 -4.898 1.00 0.00 C ATOM 823 NH1 ARG A 70 2.225 -12.605 -5.864 1.00 0.00 N ATOM 824 NH2 ARG A 70 0.945 -14.383 -5.187 1.00 0.00 N ATOM 0 H ARG A 70 -1.825 -9.439 -2.862 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.007 -9.080 -0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.428 -11.237 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.063 -10.619 -3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.278 -10.135 -1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.696 -11.714 -1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.306 -10.880 -4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.367 -11.834 -3.019 1.00 0.00 H new ATOM 0 HE ARG A 70 1.138 -13.364 -2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.731 -11.746 -5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.198 -12.954 -6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.463 -14.897 -4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.922 -14.727 -6.147 1.00 0.00 H new ATOM 838 N LEU A 71 1.669 -7.451 -1.444 1.00 0.00 N ATOM 839 CA LEU A 71 2.681 -6.475 -1.839 1.00 0.00 C ATOM 840 C LEU A 71 3.932 -7.162 -2.380 1.00 0.00 C ATOM 841 O LEU A 71 4.659 -7.824 -1.640 1.00 0.00 O ATOM 842 CB LEU A 71 3.053 -5.588 -0.649 1.00 0.00 C ATOM 843 CG LEU A 71 1.876 -4.864 0.011 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.752 -5.263 1.474 1.00 0.00 C ATOM 845 CD2 LEU A 71 2.033 -3.356 -0.120 1.00 0.00 C ATOM 0 H LEU A 71 1.548 -7.547 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 71 2.258 -5.859 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.549 -6.203 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.777 -4.844 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 71 0.962 -5.160 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.910 -4.738 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.589 -6.338 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.668 -4.999 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.187 -2.859 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.957 -3.043 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.068 -3.084 -1.175 1.00 0.00 H new ATOM 857 N LEU A 72 4.177 -6.997 -3.677 1.00 0.00 N ATOM 858 CA LEU A 72 5.341 -7.598 -4.316 1.00 0.00 C ATOM 859 C LEU A 72 6.574 -6.717 -4.150 1.00 0.00 C ATOM 860 O LEU A 72 7.527 -7.088 -3.468 1.00 0.00 O ATOM 861 CB LEU A 72 5.071 -7.838 -5.801 1.00 0.00 C ATOM 862 CG LEU A 72 3.886 -8.758 -6.096 1.00 0.00 C ATOM 863 CD1 LEU A 72 2.610 -7.946 -6.230 1.00 0.00 C ATOM 864 CD2 LEU A 72 4.143 -9.574 -7.355 1.00 0.00 C ATOM 0 H LEU A 72 3.585 -6.453 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 72 5.532 -8.554 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.896 -6.877 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.966 -8.264 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 72 3.767 -9.451 -5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.774 -8.614 -6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.421 -7.409 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.717 -7.231 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.289 -10.223 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.288 -8.902 -8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.037 -10.182 -7.218 1.00 0.00 H new ATOM 876 N GLN A 73 6.550 -5.550 -4.784 1.00 0.00 N ATOM 877 CA GLN A 73 7.669 -4.617 -4.711 1.00 0.00 C ATOM 878 C GLN A 73 7.262 -3.324 -4.012 1.00 0.00 C ATOM 879 O GLN A 73 6.490 -2.533 -4.552 1.00 0.00 O ATOM 880 CB GLN A 73 8.193 -4.308 -6.113 1.00 0.00 C ATOM 881 CG GLN A 73 8.438 -5.548 -6.957 1.00 0.00 C ATOM 882 CD GLN A 73 8.723 -5.217 -8.410 1.00 0.00 C ATOM 883 OE1 GLN A 73 8.210 -5.869 -9.319 1.00 0.00 O ATOM 884 NE2 GLN A 73 9.546 -4.199 -8.635 1.00 0.00 N ATOM 0 H GLN A 73 5.768 -5.227 -5.354 1.00 0.00 H new ATOM 0 HA GLN A 73 8.461 -5.087 -4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.478 -3.665 -6.626 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.123 -3.746 -6.029 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.279 -6.104 -6.543 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.566 -6.200 -6.901 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.949 -3.686 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.775 -3.930 -9.592 1.00 0.00 H new ATOM 893 N VAL A 74 7.791 -3.116 -2.812 1.00 0.00 N ATOM 894 CA VAL A 74 7.488 -1.915 -2.044 1.00 0.00 C ATOM 895 C VAL A 74 8.640 -0.921 -2.114 1.00 0.00 C ATOM 896 O VAL A 74 9.809 -1.308 -2.122 1.00 0.00 O ATOM 897 CB VAL A 74 7.193 -2.248 -0.567 1.00 0.00 C ATOM 898 CG1 VAL A 74 6.799 -0.992 0.198 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.103 -3.306 -0.465 1.00 0.00 C ATOM 0 H VAL A 74 8.431 -3.763 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 74 6.598 -1.469 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 74 8.101 -2.649 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.595 -1.248 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.614 -0.269 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.906 -0.558 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.908 -3.528 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.191 -2.935 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.428 -4.214 -0.974 1.00 0.00 H new ATOM 909 N ASN A 75 8.303 0.365 -2.169 1.00 0.00 N ATOM 910 CA ASN A 75 9.306 1.424 -2.246 1.00 0.00 C ATOM 911 C ASN A 75 10.373 1.103 -3.293 1.00 0.00 C ATOM 912 O ASN A 75 11.523 1.525 -3.167 1.00 0.00 O ATOM 913 CB ASN A 75 9.962 1.628 -0.878 1.00 0.00 C ATOM 914 CG ASN A 75 9.986 3.086 -0.462 1.00 0.00 C ATOM 915 OD1 ASN A 75 11.029 3.620 -0.084 1.00 0.00 O ATOM 916 ND2 ASN A 75 8.831 3.739 -0.528 1.00 0.00 N ATOM 0 H ASN A 75 7.340 0.700 -2.162 1.00 0.00 H new ATOM 0 HA ASN A 75 8.802 2.343 -2.546 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.423 1.048 -0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.982 1.244 -0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.785 4.722 -0.260 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.990 3.257 -0.847 1.00 0.00 H new ATOM 923 N HIS A 76 9.976 0.358 -4.328 1.00 0.00 N ATOM 924 CA HIS A 76 10.882 -0.027 -5.417 1.00 0.00 C ATOM 925 C HIS A 76 11.662 -1.300 -5.083 1.00 0.00 C ATOM 926 O HIS A 76 12.193 -1.960 -5.975 1.00 0.00 O ATOM 927 CB HIS A 76 11.854 1.110 -5.753 1.00 0.00 C ATOM 928 CG HIS A 76 12.037 1.325 -7.224 1.00 0.00 C ATOM 929 ND1 HIS A 76 12.245 0.294 -8.116 1.00 0.00 N ATOM 930 CD2 HIS A 76 12.041 2.463 -7.960 1.00 0.00 C ATOM 931 CE1 HIS A 76 12.370 0.790 -9.335 1.00 0.00 C ATOM 932 NE2 HIS A 76 12.250 2.101 -9.266 1.00 0.00 N ATOM 0 H HIS A 76 9.025 0.006 -4.436 1.00 0.00 H new ATOM 0 HA HIS A 76 10.261 -0.229 -6.290 1.00 0.00 H new ATOM 0 HB2 HIS A 76 11.491 2.033 -5.301 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.823 0.894 -5.302 1.00 0.00 H new ATOM 0 HD1 HIS A 76 12.295 -0.695 -7.873 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.905 3.468 -7.587 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.541 0.218 -10.235 1.00 0.00 H new ATOM 941 N VAL A 77 11.733 -1.641 -3.798 1.00 0.00 N ATOM 942 CA VAL A 77 12.454 -2.832 -3.366 1.00 0.00 C ATOM 943 C VAL A 77 11.581 -4.078 -3.482 1.00 0.00 C ATOM 944 O VAL A 77 10.411 -4.066 -3.100 1.00 0.00 O ATOM 945 CB VAL A 77 12.938 -2.698 -1.908 1.00 0.00 C ATOM 946 CG1 VAL A 77 13.776 -3.903 -1.504 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.726 -1.409 -1.724 1.00 0.00 C ATOM 0 H VAL A 77 11.301 -1.110 -3.042 1.00 0.00 H new ATOM 0 HA VAL A 77 13.318 -2.932 -4.023 1.00 0.00 H new ATOM 0 HB VAL A 77 12.063 -2.661 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 77 14.107 -3.787 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.177 -4.809 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.645 -3.977 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 77 14.060 -1.331 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 77 14.593 -1.415 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 77 13.091 -0.557 -1.966 1.00 0.00 H new ATOM 957 N ARG A 78 12.160 -5.156 -4.003 1.00 0.00 N ATOM 958 CA ARG A 78 11.436 -6.410 -4.157 1.00 0.00 C ATOM 959 C ARG A 78 11.153 -7.027 -2.792 1.00 0.00 C ATOM 960 O ARG A 78 12.075 -7.377 -2.056 1.00 0.00 O ATOM 961 CB ARG A 78 12.241 -7.387 -5.016 1.00 0.00 C ATOM 962 CG ARG A 78 12.139 -7.111 -6.508 1.00 0.00 C ATOM 963 CD ARG A 78 13.254 -6.192 -6.982 1.00 0.00 C ATOM 964 NE ARG A 78 12.810 -5.301 -8.052 1.00 0.00 N ATOM 965 CZ ARG A 78 13.615 -4.462 -8.700 1.00 0.00 C ATOM 966 NH1 ARG A 78 14.904 -4.394 -8.388 1.00 0.00 N ATOM 967 NH2 ARG A 78 13.130 -3.687 -9.660 1.00 0.00 N ATOM 0 H ARG A 78 13.127 -5.185 -4.325 1.00 0.00 H new ATOM 0 HA ARG A 78 10.488 -6.204 -4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.288 -7.343 -4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.896 -8.402 -4.818 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.183 -8.052 -7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.173 -6.657 -6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.616 -5.598 -6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.093 -6.792 -7.334 1.00 0.00 H new ATOM 0 HE ARG A 78 11.826 -5.323 -8.318 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.282 -4.986 -7.649 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.516 -3.749 -8.888 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.140 -3.734 -9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.747 -3.044 -10.157 1.00 0.00 H new ATOM 981 N THR A 79 9.874 -7.147 -2.454 1.00 0.00 N ATOM 982 CA THR A 79 9.479 -7.708 -1.168 1.00 0.00 C ATOM 983 C THR A 79 8.239 -8.587 -1.301 1.00 0.00 C ATOM 984 O THR A 79 7.366 -8.582 -0.434 1.00 0.00 O ATOM 985 CB THR A 79 9.212 -6.585 -0.166 1.00 0.00 C ATOM 986 OG1 THR A 79 8.042 -5.869 -0.520 1.00 0.00 O ATOM 987 CG2 THR A 79 10.346 -5.589 -0.066 1.00 0.00 C ATOM 0 H THR A 79 9.096 -6.865 -3.050 1.00 0.00 H new ATOM 0 HA THR A 79 10.299 -8.330 -0.809 1.00 0.00 H new ATOM 0 HB THR A 79 9.099 -7.079 0.799 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.616 -5.518 0.290 1.00 0.00 H new ATOM 0 HG21 THR A 79 10.091 -4.819 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.254 -6.102 0.251 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.511 -5.127 -1.039 1.00 0.00 H new ATOM 995 N ARG A 80 8.170 -9.345 -2.390 1.00 0.00 N ATOM 996 CA ARG A 80 7.041 -10.234 -2.632 1.00 0.00 C ATOM 997 C ARG A 80 7.059 -11.403 -1.652 1.00 0.00 C ATOM 998 O ARG A 80 6.037 -11.748 -1.060 1.00 0.00 O ATOM 999 CB ARG A 80 7.074 -10.756 -4.066 1.00 0.00 C ATOM 1000 CG ARG A 80 5.697 -10.888 -4.695 1.00 0.00 C ATOM 1001 CD ARG A 80 5.318 -12.344 -4.917 1.00 0.00 C ATOM 1002 NE ARG A 80 5.527 -12.760 -6.302 1.00 0.00 N ATOM 1003 CZ ARG A 80 6.604 -13.420 -6.733 1.00 0.00 C ATOM 1004 NH1 ARG A 80 7.580 -13.741 -5.892 1.00 0.00 N ATOM 1005 NH2 ARG A 80 6.704 -13.757 -8.011 1.00 0.00 N ATOM 0 H ARG A 80 8.883 -9.361 -3.119 1.00 0.00 H new ATOM 0 HA ARG A 80 6.122 -9.667 -2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.680 -10.085 -4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.565 -11.729 -4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.956 -10.413 -4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.679 -10.358 -5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.909 -12.977 -4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.272 -12.491 -4.648 1.00 0.00 H new ATOM 0 HE ARG A 80 4.803 -12.531 -6.983 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.510 -13.483 -4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.399 -14.246 -6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.959 -13.512 -8.663 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.526 -14.261 -8.343 1.00 0.00 H new ATOM 1019 N ASP A 81 8.231 -12.011 -1.490 1.00 0.00 N ATOM 1020 CA ASP A 81 8.389 -13.145 -0.586 1.00 0.00 C ATOM 1021 C ASP A 81 8.869 -12.697 0.793 1.00 0.00 C ATOM 1022 O ASP A 81 9.528 -13.456 1.505 1.00 0.00 O ATOM 1023 CB ASP A 81 9.375 -14.156 -1.175 1.00 0.00 C ATOM 1024 CG ASP A 81 9.002 -15.588 -0.844 1.00 0.00 C ATOM 1025 OD1 ASP A 81 8.741 -15.874 0.343 1.00 0.00 O ATOM 1026 OD2 ASP A 81 8.971 -16.423 -1.772 1.00 0.00 O ATOM 0 H ASP A 81 9.086 -11.736 -1.974 1.00 0.00 H new ATOM 0 HA ASP A 81 7.413 -13.616 -0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.413 -14.034 -2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.375 -13.947 -0.796 1.00 0.00 H new ATOM 1031 N PHE A 82 8.537 -11.465 1.168 1.00 0.00 N ATOM 1032 CA PHE A 82 8.937 -10.931 2.465 1.00 0.00 C ATOM 1033 C PHE A 82 7.996 -11.419 3.561 1.00 0.00 C ATOM 1034 O PHE A 82 7.010 -12.103 3.287 1.00 0.00 O ATOM 1035 CB PHE A 82 8.941 -9.399 2.428 1.00 0.00 C ATOM 1036 CG PHE A 82 10.272 -8.800 2.065 1.00 0.00 C ATOM 1037 CD1 PHE A 82 11.134 -9.455 1.200 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.658 -7.578 2.588 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.353 -8.901 0.863 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.878 -7.018 2.256 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.727 -7.680 1.392 1.00 0.00 C ATOM 0 H PHE A 82 7.994 -10.820 0.594 1.00 0.00 H new ATOM 0 HA PHE A 82 9.944 -11.286 2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.194 -9.061 1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.638 -9.021 3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.849 -10.410 0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.998 -7.055 3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.014 -9.422 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.166 -6.064 2.672 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.680 -7.245 1.130 1.00 0.00 H new ATOM 1051 N ASP A 83 8.303 -11.060 4.802 1.00 0.00 N ATOM 1052 CA ASP A 83 7.482 -11.458 5.937 1.00 0.00 C ATOM 1053 C ASP A 83 6.716 -10.262 6.487 1.00 0.00 C ATOM 1054 O ASP A 83 7.099 -9.114 6.264 1.00 0.00 O ATOM 1055 CB ASP A 83 8.351 -12.073 7.036 1.00 0.00 C ATOM 1056 CG ASP A 83 7.584 -13.058 7.895 1.00 0.00 C ATOM 1057 OD1 ASP A 83 7.215 -14.133 7.378 1.00 0.00 O ATOM 1058 OD2 ASP A 83 7.355 -12.755 9.085 1.00 0.00 O ATOM 0 H ASP A 83 9.115 -10.494 5.047 1.00 0.00 H new ATOM 0 HA ASP A 83 6.766 -12.206 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.203 -12.578 6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.750 -11.279 7.667 1.00 0.00 H new ATOM 1063 N CYS A 84 5.633 -10.535 7.207 1.00 0.00 N ATOM 1064 CA CYS A 84 4.818 -9.473 7.788 1.00 0.00 C ATOM 1065 C CYS A 84 5.685 -8.503 8.581 1.00 0.00 C ATOM 1066 O CYS A 84 5.508 -7.289 8.506 1.00 0.00 O ATOM 1067 CB CYS A 84 3.736 -10.068 8.693 1.00 0.00 C ATOM 1068 SG CYS A 84 4.343 -11.326 9.840 1.00 0.00 S ATOM 0 H CYS A 84 5.300 -11.479 7.402 1.00 0.00 H new ATOM 0 HA CYS A 84 4.339 -8.927 6.976 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.273 -9.264 9.265 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.956 -10.506 8.070 1.00 0.00 H new ATOM 0 HG CYS A 84 5.499 -11.761 9.435 1.00 0.00 H new ATOM 1074 N CYS A 85 6.631 -9.051 9.336 1.00 0.00 N ATOM 1075 CA CYS A 85 7.531 -8.240 10.137 1.00 0.00 C ATOM 1076 C CYS A 85 8.392 -7.340 9.254 1.00 0.00 C ATOM 1077 O CYS A 85 8.916 -6.326 9.712 1.00 0.00 O ATOM 1078 CB CYS A 85 8.425 -9.134 11.001 1.00 0.00 C ATOM 1079 SG CYS A 85 7.521 -10.352 11.983 1.00 0.00 S ATOM 0 H CYS A 85 6.792 -10.056 9.408 1.00 0.00 H new ATOM 0 HA CYS A 85 6.926 -7.606 10.785 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.131 -9.656 10.355 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.010 -8.505 11.671 1.00 0.00 H new ATOM 0 HG CYS A 85 6.465 -10.737 11.331 1.00 0.00 H new ATOM 1085 N LEU A 86 8.537 -7.720 7.987 1.00 0.00 N ATOM 1086 CA LEU A 86 9.336 -6.949 7.042 1.00 0.00 C ATOM 1087 C LEU A 86 8.456 -6.015 6.215 1.00 0.00 C ATOM 1088 O LEU A 86 8.872 -4.916 5.841 1.00 0.00 O ATOM 1089 CB LEU A 86 10.111 -7.889 6.116 1.00 0.00 C ATOM 1090 CG LEU A 86 11.493 -8.304 6.622 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.365 -9.293 7.771 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.316 -8.901 5.490 1.00 0.00 C ATOM 0 H LEU A 86 8.111 -8.558 7.592 1.00 0.00 H new ATOM 0 HA LEU A 86 10.041 -6.343 7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.515 -8.787 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.227 -7.405 5.146 1.00 0.00 H new ATOM 0 HG LEU A 86 12.008 -7.416 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.358 -9.577 8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.813 -8.831 8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.832 -10.180 7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.297 -9.191 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.806 -9.779 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.436 -8.162 4.698 1.00 0.00 H new ATOM 1104 N VAL A 87 7.235 -6.458 5.937 1.00 0.00 N ATOM 1105 CA VAL A 87 6.299 -5.668 5.154 1.00 0.00 C ATOM 1106 C VAL A 87 5.672 -4.559 5.991 1.00 0.00 C ATOM 1107 O VAL A 87 5.422 -3.462 5.489 1.00 0.00 O ATOM 1108 CB VAL A 87 5.187 -6.550 4.557 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.293 -5.739 3.631 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.792 -7.736 3.821 1.00 0.00 C ATOM 0 H VAL A 87 6.872 -7.361 6.244 1.00 0.00 H new ATOM 0 HA VAL A 87 6.868 -5.217 4.341 1.00 0.00 H new ATOM 0 HB VAL A 87 4.571 -6.928 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.515 -6.383 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.833 -4.925 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.890 -5.328 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.994 -8.351 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.432 -7.376 3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.384 -8.332 4.516 1.00 0.00 H new ATOM 1120 N VAL A 88 5.416 -4.840 7.266 1.00 0.00 N ATOM 1121 CA VAL A 88 4.816 -3.847 8.146 1.00 0.00 C ATOM 1122 C VAL A 88 5.686 -2.592 8.221 1.00 0.00 C ATOM 1123 O VAL A 88 5.199 -1.481 8.008 1.00 0.00 O ATOM 1124 CB VAL A 88 4.566 -4.400 9.567 1.00 0.00 C ATOM 1125 CG1 VAL A 88 3.982 -3.323 10.474 1.00 0.00 C ATOM 1126 CG2 VAL A 88 3.643 -5.610 9.511 1.00 0.00 C ATOM 0 H VAL A 88 5.613 -5.738 7.707 1.00 0.00 H new ATOM 0 HA VAL A 88 3.848 -3.588 7.716 1.00 0.00 H new ATOM 0 HB VAL A 88 5.523 -4.712 9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.815 -3.736 11.469 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.678 -2.487 10.541 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.035 -2.975 10.062 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.477 -5.988 10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.689 -5.320 9.070 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.102 -6.390 8.903 1.00 0.00 H new ATOM 1136 N PRO A 89 6.993 -2.746 8.506 1.00 0.00 N ATOM 1137 CA PRO A 89 7.917 -1.612 8.583 1.00 0.00 C ATOM 1138 C PRO A 89 8.123 -0.965 7.219 1.00 0.00 C ATOM 1139 O PRO A 89 8.168 0.259 7.104 1.00 0.00 O ATOM 1140 CB PRO A 89 9.229 -2.232 9.087 1.00 0.00 C ATOM 1141 CG PRO A 89 8.865 -3.592 9.576 1.00 0.00 C ATOM 1142 CD PRO A 89 7.681 -4.017 8.759 1.00 0.00 C ATOM 0 HA PRO A 89 7.541 -0.822 9.233 1.00 0.00 H new ATOM 0 HB2 PRO A 89 9.969 -2.287 8.289 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.665 -1.632 9.885 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.695 -4.287 9.452 1.00 0.00 H new ATOM 0 HG3 PRO A 89 8.621 -3.573 10.638 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.982 -4.506 7.833 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.047 -4.720 9.299 1.00 0.00 H new ATOM 1150 N LEU A 90 8.241 -1.798 6.181 1.00 0.00 N ATOM 1151 CA LEU A 90 8.437 -1.304 4.825 1.00 0.00 C ATOM 1152 C LEU A 90 7.341 -0.312 4.447 1.00 0.00 C ATOM 1153 O LEU A 90 7.578 0.645 3.709 1.00 0.00 O ATOM 1154 CB LEU A 90 8.442 -2.466 3.833 1.00 0.00 C ATOM 1155 CG LEU A 90 9.757 -3.241 3.749 1.00 0.00 C ATOM 1156 CD1 LEU A 90 9.537 -4.589 3.080 1.00 0.00 C ATOM 1157 CD2 LEU A 90 10.803 -2.435 2.998 1.00 0.00 C ATOM 0 H LEU A 90 8.204 -2.814 6.259 1.00 0.00 H new ATOM 0 HA LEU A 90 9.400 -0.794 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.646 -3.159 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.202 -2.079 2.843 1.00 0.00 H new ATOM 0 HG LEU A 90 10.121 -3.415 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.483 -5.128 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.820 -5.170 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.151 -4.436 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.732 -3.002 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.448 -2.230 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.980 -1.494 3.519 1.00 0.00 H new ATOM 1169 N ILE A 91 6.142 -0.551 4.962 1.00 0.00 N ATOM 1170 CA ILE A 91 4.999 0.312 4.690 1.00 0.00 C ATOM 1171 C ILE A 91 5.056 1.583 5.534 1.00 0.00 C ATOM 1172 O ILE A 91 4.800 2.682 5.040 1.00 0.00 O ATOM 1173 CB ILE A 91 3.674 -0.433 4.968 1.00 0.00 C ATOM 1174 CG1 ILE A 91 3.587 -1.692 4.102 1.00 0.00 C ATOM 1175 CG2 ILE A 91 2.469 0.465 4.714 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.726 -2.780 4.705 1.00 0.00 C ATOM 0 H ILE A 91 5.935 -1.340 5.574 1.00 0.00 H new ATOM 0 HA ILE A 91 5.040 0.589 3.637 1.00 0.00 H new ATOM 0 HB ILE A 91 3.662 -0.720 6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.188 -1.424 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.592 -2.082 3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.553 -0.089 4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.520 1.336 5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.471 0.791 3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.709 -3.642 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.137 -3.076 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.711 -2.407 4.841 1.00 0.00 H new ATOM 1188 N ALA A 92 5.376 1.421 6.812 1.00 0.00 N ATOM 1189 CA ALA A 92 5.449 2.539 7.738 1.00 0.00 C ATOM 1190 C ALA A 92 6.771 3.301 7.640 1.00 0.00 C ATOM 1191 O ALA A 92 6.968 4.296 8.338 1.00 0.00 O ATOM 1192 CB ALA A 92 5.238 2.048 9.161 1.00 0.00 C ATOM 0 H ALA A 92 5.591 0.516 7.231 1.00 0.00 H new ATOM 0 HA ALA A 92 4.657 3.235 7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.294 2.892 9.849 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.258 1.578 9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.011 1.322 9.414 1.00 0.00 H new ATOM 1198 N GLU A 93 7.684 2.834 6.794 1.00 0.00 N ATOM 1199 CA GLU A 93 8.984 3.489 6.654 1.00 0.00 C ATOM 1200 C GLU A 93 9.087 4.300 5.363 1.00 0.00 C ATOM 1201 O GLU A 93 10.155 4.818 5.038 1.00 0.00 O ATOM 1202 CB GLU A 93 10.107 2.455 6.705 1.00 0.00 C ATOM 1203 CG GLU A 93 10.055 1.446 5.573 1.00 0.00 C ATOM 1204 CD GLU A 93 11.094 1.713 4.502 1.00 0.00 C ATOM 1205 OE1 GLU A 93 11.589 2.859 4.427 1.00 0.00 O ATOM 1206 OE2 GLU A 93 11.415 0.778 3.739 1.00 0.00 O ATOM 0 H GLU A 93 7.553 2.015 6.201 1.00 0.00 H new ATOM 0 HA GLU A 93 9.085 4.182 7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.067 2.971 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.058 1.925 7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.205 0.445 5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.063 1.462 5.123 1.00 0.00 H new ATOM 1213 N SER A 94 7.984 4.420 4.630 1.00 0.00 N ATOM 1214 CA SER A 94 7.988 5.186 3.388 1.00 0.00 C ATOM 1215 C SER A 94 8.292 6.646 3.672 1.00 0.00 C ATOM 1216 O SER A 94 8.955 7.326 2.890 1.00 0.00 O ATOM 1217 CB SER A 94 6.644 5.058 2.672 1.00 0.00 C ATOM 1218 OG SER A 94 6.786 4.377 1.439 1.00 0.00 O ATOM 0 H SER A 94 7.085 4.002 4.871 1.00 0.00 H new ATOM 0 HA SER A 94 8.765 4.784 2.739 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.939 4.522 3.308 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.226 6.049 2.497 1.00 0.00 H new ATOM 0 HG SER A 94 7.044 5.015 0.741 1.00 0.00 H new ATOM 1224 N GLY A 95 7.802 7.111 4.807 1.00 0.00 N ATOM 1225 CA GLY A 95 8.022 8.487 5.211 1.00 0.00 C ATOM 1226 C GLY A 95 6.851 9.389 4.878 1.00 0.00 C ATOM 1227 O GLY A 95 6.468 10.238 5.682 1.00 0.00 O ATOM 0 H GLY A 95 7.251 6.558 5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.207 8.521 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.918 8.866 4.721 1.00 0.00 H new ATOM 1231 N ASN A 96 6.282 9.209 3.690 1.00 0.00 N ATOM 1232 CA ASN A 96 5.150 10.022 3.259 1.00 0.00 C ATOM 1233 C ASN A 96 4.476 9.426 2.026 1.00 0.00 C ATOM 1234 O ASN A 96 3.260 9.516 1.875 1.00 0.00 O ATOM 1235 CB ASN A 96 5.608 11.452 2.966 1.00 0.00 C ATOM 1236 CG ASN A 96 5.349 12.390 4.129 1.00 0.00 C ATOM 1237 OD1 ASN A 96 4.208 12.767 4.398 1.00 0.00 O ATOM 1238 ND2 ASN A 96 6.413 12.775 4.826 1.00 0.00 N ATOM 0 H ASN A 96 6.585 8.510 3.011 1.00 0.00 H new ATOM 0 HA ASN A 96 4.421 10.037 4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 96 6.673 11.450 2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.090 11.823 2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.302 13.407 5.619 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.341 12.438 4.568 1.00 0.00 H new ATOM 1245 N LYS A 97 5.267 8.826 1.142 1.00 0.00 N ATOM 1246 CA LYS A 97 4.733 8.222 -0.075 1.00 0.00 C ATOM 1247 C LYS A 97 5.103 6.744 -0.158 1.00 0.00 C ATOM 1248 O LYS A 97 6.261 6.374 0.038 1.00 0.00 O ATOM 1249 CB LYS A 97 5.255 8.963 -1.308 1.00 0.00 C ATOM 1250 CG LYS A 97 4.247 9.927 -1.911 1.00 0.00 C ATOM 1251 CD LYS A 97 4.819 10.648 -3.121 1.00 0.00 C ATOM 1252 CE LYS A 97 4.928 9.720 -4.321 1.00 0.00 C ATOM 1253 NZ LYS A 97 3.616 9.536 -5.002 1.00 0.00 N ATOM 0 H LYS A 97 6.279 8.745 1.245 1.00 0.00 H new ATOM 0 HA LYS A 97 3.646 8.303 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.155 9.515 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.545 8.233 -2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.350 9.381 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.946 10.657 -1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.185 11.498 -3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.804 11.046 -2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.651 10.126 -5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.308 8.751 -3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.739 8.924 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.942 9.094 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.249 10.461 -5.304 1.00 0.00 H new ATOM 1267 N LEU A 98 4.114 5.900 -0.446 1.00 0.00 N ATOM 1268 CA LEU A 98 4.348 4.464 -0.550 1.00 0.00 C ATOM 1269 C LEU A 98 3.978 3.938 -1.932 1.00 0.00 C ATOM 1270 O LEU A 98 2.813 3.643 -2.203 1.00 0.00 O ATOM 1271 CB LEU A 98 3.544 3.711 0.516 1.00 0.00 C ATOM 1272 CG LEU A 98 4.362 2.804 1.444 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.438 1.918 2.262 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.343 1.959 0.642 1.00 0.00 C ATOM 0 H LEU A 98 3.149 6.185 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 98 5.413 4.294 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.012 4.440 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.790 3.103 0.015 1.00 0.00 H new ATOM 0 HG LEU A 98 4.934 3.433 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.031 1.279 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.777 2.540 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.842 1.298 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.913 1.323 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.794 1.337 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.025 2.612 0.097 1.00 0.00 H new ATOM 1286 N ASP A 99 4.978 3.798 -2.796 1.00 0.00 N ATOM 1287 CA ASP A 99 4.754 3.278 -4.138 1.00 0.00 C ATOM 1288 C ASP A 99 5.058 1.786 -4.156 1.00 0.00 C ATOM 1289 O ASP A 99 6.183 1.374 -3.870 1.00 0.00 O ATOM 1290 CB ASP A 99 5.635 4.011 -5.152 1.00 0.00 C ATOM 1291 CG ASP A 99 5.145 3.836 -6.575 1.00 0.00 C ATOM 1292 OD1 ASP A 99 5.019 2.676 -7.023 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.889 4.859 -7.245 1.00 0.00 O ATOM 0 H ASP A 99 5.948 4.037 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 99 3.712 3.439 -4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.660 5.073 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.658 3.642 -5.075 1.00 0.00 H new ATOM 1298 N LEU A 100 4.053 0.974 -4.466 1.00 0.00 N ATOM 1299 CA LEU A 100 4.244 -0.471 -4.480 1.00 0.00 C ATOM 1300 C LEU A 100 3.334 -1.169 -5.485 1.00 0.00 C ATOM 1301 O LEU A 100 2.327 -0.617 -5.928 1.00 0.00 O ATOM 1302 CB LEU A 100 3.984 -1.038 -3.083 1.00 0.00 C ATOM 1303 CG LEU A 100 2.714 -0.523 -2.404 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.505 -1.337 -2.837 1.00 0.00 C ATOM 1305 CD2 LEU A 100 2.870 -0.555 -0.891 1.00 0.00 C ATOM 0 H LEU A 100 3.112 1.285 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 100 5.274 -0.658 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.926 -2.124 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.838 -0.805 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 100 2.555 0.510 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.612 -0.954 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.382 -1.260 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.652 -2.381 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.958 -0.185 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.055 -1.579 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.709 0.076 -0.598 1.00 0.00 H new ATOM 1317 N VAL A 101 3.696 -2.408 -5.813 1.00 0.00 N ATOM 1318 CA VAL A 101 2.924 -3.227 -6.737 1.00 0.00 C ATOM 1319 C VAL A 101 2.339 -4.421 -5.998 1.00 0.00 C ATOM 1320 O VAL A 101 3.064 -5.329 -5.594 1.00 0.00 O ATOM 1321 CB VAL A 101 3.795 -3.731 -7.906 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.942 -4.441 -8.945 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.566 -2.577 -8.532 1.00 0.00 C ATOM 0 H VAL A 101 4.529 -2.868 -5.446 1.00 0.00 H new ATOM 0 HA VAL A 101 2.124 -2.609 -7.145 1.00 0.00 H new ATOM 0 HB VAL A 101 4.515 -4.449 -7.514 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.576 -4.788 -9.761 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.443 -5.294 -8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.194 -3.751 -9.335 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.175 -2.950 -9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.864 -1.833 -8.909 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.211 -2.121 -7.781 1.00 0.00 H new ATOM 1333 N ILE A 102 1.026 -4.408 -5.803 1.00 0.00 N ATOM 1334 CA ILE A 102 0.352 -5.487 -5.089 1.00 0.00 C ATOM 1335 C ILE A 102 -0.391 -6.411 -6.047 1.00 0.00 C ATOM 1336 O ILE A 102 -0.545 -6.104 -7.228 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.649 -4.933 -4.057 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.737 -4.123 -4.765 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.063 -4.082 -3.008 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.886 -4.968 -5.270 1.00 0.00 C ATOM 0 H ILE A 102 0.408 -3.665 -6.128 1.00 0.00 H new ATOM 0 HA ILE A 102 1.128 -6.054 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.117 -5.773 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.124 -3.371 -4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.293 -3.589 -5.605 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.666 -3.703 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.802 -4.690 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.561 -3.245 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.620 -4.329 -5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.511 -5.703 -5.982 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.356 -5.482 -4.431 1.00 0.00 H new ATOM 1352 N SER A 103 -0.854 -7.542 -5.524 1.00 0.00 N ATOM 1353 CA SER A 103 -1.589 -8.514 -6.322 1.00 0.00 C ATOM 1354 C SER A 103 -2.841 -8.981 -5.587 1.00 0.00 C ATOM 1355 O SER A 103 -2.753 -9.659 -4.563 1.00 0.00 O ATOM 1356 CB SER A 103 -0.697 -9.714 -6.651 1.00 0.00 C ATOM 1357 OG SER A 103 -0.409 -9.773 -8.036 1.00 0.00 O ATOM 0 H SER A 103 -0.732 -7.808 -4.547 1.00 0.00 H new ATOM 0 HA SER A 103 -1.893 -8.032 -7.251 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.233 -9.645 -6.086 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.192 -10.634 -6.340 1.00 0.00 H new ATOM 0 HG SER A 103 0.163 -10.547 -8.218 1.00 0.00 H new ATOM 1363 N ARG A 104 -4.005 -8.617 -6.114 1.00 0.00 N ATOM 1364 CA ARG A 104 -5.273 -9.005 -5.503 1.00 0.00 C ATOM 1365 C ARG A 104 -6.237 -9.557 -6.548 1.00 0.00 C ATOM 1366 O ARG A 104 -6.405 -8.977 -7.620 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.910 -7.812 -4.787 1.00 0.00 C ATOM 1368 CG ARG A 104 -5.927 -6.536 -5.617 1.00 0.00 C ATOM 1369 CD ARG A 104 -7.271 -6.329 -6.295 1.00 0.00 C ATOM 1370 NE ARG A 104 -7.266 -5.164 -7.177 1.00 0.00 N ATOM 1371 CZ ARG A 104 -6.704 -5.150 -8.383 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -6.103 -6.233 -8.856 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -6.745 -4.047 -9.119 1.00 0.00 N ATOM 0 H ARG A 104 -4.098 -8.055 -6.960 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.067 -9.789 -4.774 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.933 -8.069 -4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.368 -7.624 -3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.706 -5.682 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.141 -6.581 -6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.527 -7.218 -6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.044 -6.206 -5.537 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.720 -4.312 -6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.069 -7.084 -8.295 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -5.674 -6.215 -9.781 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.207 -3.211 -8.760 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.315 -4.035 -10.044 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.863 -10.687 -6.232 1.00 0.00 N ATOM 1388 CA ASN A 105 -7.810 -11.319 -7.145 1.00 0.00 C ATOM 1389 C ASN A 105 -9.007 -10.406 -7.401 1.00 0.00 C ATOM 1390 O ASN A 105 -9.365 -9.589 -6.552 1.00 0.00 O ATOM 1391 CB ASN A 105 -8.291 -12.666 -6.588 1.00 0.00 C ATOM 1392 CG ASN A 105 -8.463 -12.657 -5.079 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -9.325 -11.778 -4.584 1.00 0.00 O flip ATOM 1394 ND2 ASN A 105 -7.825 -13.433 -4.367 1.00 0.00 N flip ATOM 0 H ASN A 105 -6.732 -11.184 -5.351 1.00 0.00 H new ATOM 0 HA ASN A 105 -7.294 -11.495 -8.089 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.241 -12.928 -7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -7.577 -13.442 -6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.172 -14.093 -4.789 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.949 -13.416 -3.355 1.00 0.00 H new ATOM 1401 N PRO A 106 -9.644 -10.533 -8.578 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.804 -9.713 -8.940 1.00 0.00 C ATOM 1403 C PRO A 106 -12.050 -10.093 -8.148 1.00 0.00 C ATOM 1404 O PRO A 106 -11.939 -10.949 -7.246 1.00 0.00 O ATOM 1405 CB PRO A 106 -11.001 -10.013 -10.425 1.00 0.00 C ATOM 1406 CG PRO A 106 -10.431 -11.376 -10.614 1.00 0.00 C ATOM 1407 CD PRO A 106 -9.281 -11.481 -9.648 1.00 0.00 C ATOM 1408 OXT PRO A 106 -13.129 -9.530 -8.435 1.00 0.00 O ATOM 0 HA PRO A 106 -10.641 -8.657 -8.724 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -12.056 -9.983 -10.698 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.489 -9.280 -11.048 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -11.179 -12.143 -10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -10.093 -11.519 -11.640 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -9.170 -12.495 -9.265 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -8.335 -11.212 -10.119 1.00 0.00 H new TER 1416 PRO A 106