USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 36 LYS NZ :NH3+ 173:sc= 0.797 (180deg=0) USER MOD Set 1.2: A 43 THR OG1 : rot 5:sc= 0.319 USER MOD Set 1.3: A 73 THR OG1 : rot -161:sc= 0.68 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.76 (180deg=0.98) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 78:sc= 1 USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= 0.344 (180deg=0.157) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -120:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 13:sc= 1.11 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= 0.887 (180deg=0.449) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.983 6.854 13.603 1.00 0.00 N ATOM 2 CA MET A 1 -5.086 6.284 12.567 1.00 0.00 C ATOM 3 C MET A 1 -5.908 5.571 11.481 1.00 0.00 C ATOM 4 O MET A 1 -5.785 4.350 11.273 1.00 0.00 O ATOM 5 CB MET A 1 -3.991 5.376 13.170 1.00 0.00 C ATOM 6 CG MET A 1 -2.969 6.137 14.027 1.00 0.00 C ATOM 7 SD MET A 1 -3.540 6.673 15.668 1.00 0.00 S ATOM 8 CE MET A 1 -2.084 7.606 16.217 1.00 0.00 C ATOM 0 H1 MET A 1 -5.454 6.978 14.490 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.342 7.776 13.282 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.782 6.208 13.764 1.00 0.00 H new ATOM 0 HA MET A 1 -4.554 7.110 12.095 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.464 4.606 13.780 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.467 4.865 12.362 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.093 5.503 14.159 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.644 7.017 13.472 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.264 8.008 17.214 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.217 6.946 16.243 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.895 8.426 15.524 1.00 0.00 H new ATOM 17 N LYS A 2 -6.763 6.317 10.766 1.00 0.00 N ATOM 18 CA LYS A 2 -7.553 5.823 9.620 1.00 0.00 C ATOM 19 C LYS A 2 -6.820 6.063 8.298 1.00 0.00 C ATOM 20 O LYS A 2 -6.238 7.133 8.099 1.00 0.00 O ATOM 21 CB LYS A 2 -8.943 6.481 9.596 1.00 0.00 C ATOM 22 CG LYS A 2 -9.807 6.047 10.794 1.00 0.00 C ATOM 23 CD LYS A 2 -11.256 6.553 10.706 1.00 0.00 C ATOM 24 CE LYS A 2 -11.347 8.086 10.768 1.00 0.00 C ATOM 25 NZ LYS A 2 -12.760 8.550 10.743 1.00 0.00 N ATOM 0 H LYS A 2 -6.931 7.302 10.970 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.682 4.747 9.741 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.831 7.565 9.604 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.452 6.220 8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.811 4.959 10.856 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.354 6.417 11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.704 6.203 9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.838 6.124 11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.862 8.444 11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.806 8.518 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.785 9.589 10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.215 8.229 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.269 8.157 11.561 1.00 0.00 H new ATOM 39 N ILE A 3 -6.873 5.088 7.391 1.00 0.00 N ATOM 40 CA ILE A 3 -6.177 5.081 6.092 1.00 0.00 C ATOM 41 C ILE A 3 -7.101 4.566 4.980 1.00 0.00 C ATOM 42 O ILE A 3 -8.120 3.927 5.256 1.00 0.00 O ATOM 43 CB ILE A 3 -4.841 4.296 6.171 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.973 2.765 6.353 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.953 4.854 7.296 1.00 0.00 C ATOM 46 CD1 ILE A 3 -5.075 1.985 5.038 1.00 0.00 C ATOM 0 H ILE A 3 -7.424 4.243 7.542 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.915 6.108 5.837 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.388 4.444 5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.112 2.401 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.857 2.556 6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.020 4.291 7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.735 5.904 7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.473 4.763 8.249 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.165 0.920 5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.953 2.319 4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.180 2.161 4.440 1.00 0.00 H new ATOM 58 N LYS A 4 -6.744 4.828 3.717 1.00 0.00 N ATOM 59 CA LYS A 4 -7.479 4.350 2.532 1.00 0.00 C ATOM 60 C LYS A 4 -6.572 3.613 1.551 1.00 0.00 C ATOM 61 O LYS A 4 -5.461 4.062 1.272 1.00 0.00 O ATOM 62 CB LYS A 4 -8.207 5.520 1.847 1.00 0.00 C ATOM 63 CG LYS A 4 -9.448 5.957 2.644 1.00 0.00 C ATOM 64 CD LYS A 4 -10.135 7.214 2.090 1.00 0.00 C ATOM 65 CE LYS A 4 -10.698 7.009 0.676 1.00 0.00 C ATOM 66 NZ LYS A 4 -11.434 8.215 0.209 1.00 0.00 N ATOM 0 H LYS A 4 -5.924 5.387 3.482 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.222 3.629 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.525 6.364 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.505 5.225 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.167 5.138 2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.157 6.140 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.944 7.506 2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.420 8.037 2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.884 6.787 -0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.365 6.147 0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.803 8.047 -0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.225 8.411 0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.789 9.031 0.194 1.00 0.00 H new ATOM 80 N ILE A 5 -7.069 2.509 0.992 1.00 0.00 N ATOM 81 CA ILE A 5 -6.397 1.716 -0.050 1.00 0.00 C ATOM 82 C ILE A 5 -7.293 1.659 -1.293 1.00 0.00 C ATOM 83 O ILE A 5 -8.489 1.392 -1.176 1.00 0.00 O ATOM 84 CB ILE A 5 -6.013 0.301 0.452 1.00 0.00 C ATOM 85 CG1 ILE A 5 -5.246 0.359 1.795 1.00 0.00 C ATOM 86 CG2 ILE A 5 -5.177 -0.430 -0.619 1.00 0.00 C ATOM 87 CD1 ILE A 5 -4.784 -0.997 2.346 1.00 0.00 C ATOM 0 H ILE A 5 -7.977 2.127 1.256 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.458 2.203 -0.312 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.934 -0.255 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.372 0.998 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.884 0.836 2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.912 -1.424 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.760 -0.521 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.268 0.137 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.257 -0.846 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.651 -1.636 2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.115 -1.472 1.629 1.00 0.00 H new ATOM 99 N VAL A 6 -6.727 1.885 -2.481 1.00 0.00 N ATOM 100 CA VAL A 6 -7.432 1.814 -3.773 1.00 0.00 C ATOM 101 C VAL A 6 -6.663 0.923 -4.769 1.00 0.00 C ATOM 102 O VAL A 6 -5.735 1.383 -5.438 1.00 0.00 O ATOM 103 CB VAL A 6 -7.794 3.226 -4.285 1.00 0.00 C ATOM 104 CG1 VAL A 6 -6.628 4.206 -4.464 1.00 0.00 C ATOM 105 CG2 VAL A 6 -8.590 3.154 -5.593 1.00 0.00 C ATOM 0 H VAL A 6 -5.741 2.129 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.393 1.317 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.397 3.635 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.008 5.161 -4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.128 4.355 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.919 3.800 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.830 4.163 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.994 2.651 -6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.512 2.597 -5.427 1.00 0.00 H new ATOM 115 N PRO A 7 -6.988 -0.383 -4.843 1.00 0.00 N ATOM 116 CA PRO A 7 -6.334 -1.312 -5.758 1.00 0.00 C ATOM 117 C PRO A 7 -7.014 -1.357 -7.136 1.00 0.00 C ATOM 118 O PRO A 7 -8.224 -1.559 -7.243 1.00 0.00 O ATOM 119 CB PRO A 7 -6.377 -2.658 -5.027 1.00 0.00 C ATOM 120 CG PRO A 7 -7.695 -2.598 -4.252 1.00 0.00 C ATOM 121 CD PRO A 7 -7.861 -1.112 -3.927 1.00 0.00 C ATOM 0 HA PRO A 7 -5.312 -1.011 -5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.359 -3.495 -5.725 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.524 -2.781 -4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.527 -2.972 -4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.654 -3.203 -3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.898 -0.802 -4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.590 -0.910 -2.891 1.00 0.00 H new ATOM 129 N ALA A 8 -6.230 -1.241 -8.211 1.00 0.00 N ATOM 130 CA ALA A 8 -6.689 -1.250 -9.608 1.00 0.00 C ATOM 131 C ALA A 8 -7.060 -2.655 -10.155 1.00 0.00 C ATOM 132 O ALA A 8 -6.903 -2.931 -11.346 1.00 0.00 O ATOM 133 CB ALA A 8 -5.623 -0.536 -10.456 1.00 0.00 C ATOM 0 H ALA A 8 -5.219 -1.134 -8.132 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.636 -0.713 -9.665 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.935 -0.526 -11.500 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.504 0.488 -10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.673 -1.063 -10.366 1.00 0.00 H new ATOM 139 N VAL A 9 -7.527 -3.565 -9.290 1.00 0.00 N ATOM 140 CA VAL A 9 -7.809 -4.989 -9.578 1.00 0.00 C ATOM 141 C VAL A 9 -9.086 -5.186 -10.415 1.00 0.00 C ATOM 142 O VAL A 9 -10.135 -5.598 -9.919 1.00 0.00 O ATOM 143 CB VAL A 9 -7.796 -5.838 -8.283 1.00 0.00 C ATOM 144 CG1 VAL A 9 -6.359 -5.977 -7.762 1.00 0.00 C ATOM 145 CG2 VAL A 9 -8.667 -5.284 -7.143 1.00 0.00 C ATOM 0 H VAL A 9 -7.731 -3.322 -8.320 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.997 -5.357 -10.205 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.221 -6.800 -8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.359 -6.575 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.744 -6.466 -8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.953 -4.989 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.596 -5.943 -6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.319 -4.288 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.705 -5.228 -7.472 1.00 0.00 H new ATOM 155 N GLY A 10 -9.005 -4.861 -11.708 1.00 0.00 N ATOM 156 CA GLY A 10 -10.129 -4.943 -12.651 1.00 0.00 C ATOM 157 C GLY A 10 -11.202 -3.873 -12.407 1.00 0.00 C ATOM 158 O GLY A 10 -12.398 -4.163 -12.480 1.00 0.00 O ATOM 0 H GLY A 10 -8.143 -4.527 -12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.750 -4.843 -13.668 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.586 -5.930 -12.577 1.00 0.00 H new ATOM 162 N GLY A 11 -10.781 -2.648 -12.065 1.00 0.00 N ATOM 163 CA GLY A 11 -11.672 -1.540 -11.690 1.00 0.00 C ATOM 164 C GLY A 11 -12.092 -1.539 -10.211 1.00 0.00 C ATOM 165 O GLY A 11 -13.195 -1.091 -9.886 1.00 0.00 O ATOM 0 H GLY A 11 -9.793 -2.394 -12.041 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.174 -0.597 -11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.567 -1.584 -12.310 1.00 0.00 H new ATOM 169 N GLY A 12 -11.244 -2.062 -9.316 1.00 0.00 N ATOM 170 CA GLY A 12 -11.502 -2.147 -7.872 1.00 0.00 C ATOM 171 C GLY A 12 -11.709 -0.783 -7.189 1.00 0.00 C ATOM 172 O GLY A 12 -11.049 0.208 -7.514 1.00 0.00 O ATOM 0 H GLY A 12 -10.338 -2.447 -9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.387 -2.762 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.666 -2.658 -7.394 1.00 0.00 H new ATOM 176 N SER A 13 -12.648 -0.734 -6.242 1.00 0.00 N ATOM 177 CA SER A 13 -13.051 0.480 -5.510 1.00 0.00 C ATOM 178 C SER A 13 -12.090 0.851 -4.362 1.00 0.00 C ATOM 179 O SER A 13 -11.451 -0.042 -3.792 1.00 0.00 O ATOM 180 CB SER A 13 -14.459 0.292 -4.928 1.00 0.00 C ATOM 181 OG SER A 13 -15.395 0.008 -5.959 1.00 0.00 O ATOM 0 H SER A 13 -13.168 -1.561 -5.950 1.00 0.00 H new ATOM 0 HA SER A 13 -13.027 1.295 -6.234 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.452 -0.521 -4.202 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.761 1.193 -4.394 1.00 0.00 H new ATOM 0 HG SER A 13 -16.286 -0.110 -5.568 1.00 0.00 H new ATOM 187 N PRO A 14 -12.012 2.136 -3.957 1.00 0.00 N ATOM 188 CA PRO A 14 -11.353 2.544 -2.713 1.00 0.00 C ATOM 189 C PRO A 14 -12.047 1.953 -1.472 1.00 0.00 C ATOM 190 O PRO A 14 -13.271 1.798 -1.447 1.00 0.00 O ATOM 191 CB PRO A 14 -11.401 4.077 -2.704 1.00 0.00 C ATOM 192 CG PRO A 14 -12.645 4.395 -3.533 1.00 0.00 C ATOM 193 CD PRO A 14 -12.636 3.293 -4.589 1.00 0.00 C ATOM 0 HA PRO A 14 -10.329 2.173 -2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.481 4.471 -1.691 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.503 4.510 -3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.552 4.369 -2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.590 5.387 -3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.649 3.059 -4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.078 3.603 -5.472 1.00 0.00 H new ATOM 201 N LEU A 15 -11.267 1.663 -0.425 1.00 0.00 N ATOM 202 CA LEU A 15 -11.718 1.063 0.839 1.00 0.00 C ATOM 203 C LEU A 15 -11.006 1.715 2.039 1.00 0.00 C ATOM 204 O LEU A 15 -9.798 1.959 1.997 1.00 0.00 O ATOM 205 CB LEU A 15 -11.461 -0.465 0.793 1.00 0.00 C ATOM 206 CG LEU A 15 -12.665 -1.376 1.106 1.00 0.00 C ATOM 207 CD1 LEU A 15 -13.247 -1.127 2.498 1.00 0.00 C ATOM 208 CD2 LEU A 15 -13.784 -1.250 0.071 1.00 0.00 C ATOM 0 H LEU A 15 -10.264 1.847 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.786 1.239 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.091 -0.719 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.664 -0.698 1.499 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.264 -2.389 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.092 -1.796 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.482 -1.315 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.583 -0.093 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -14.606 -1.913 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.142 -0.221 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.403 -1.526 -0.912 1.00 0.00 H new ATOM 220 N GLU A 16 -11.749 1.986 3.114 1.00 0.00 N ATOM 221 CA GLU A 16 -11.232 2.509 4.390 1.00 0.00 C ATOM 222 C GLU A 16 -10.784 1.382 5.340 1.00 0.00 C ATOM 223 O GLU A 16 -11.463 0.358 5.467 1.00 0.00 O ATOM 224 CB GLU A 16 -12.305 3.359 5.095 1.00 0.00 C ATOM 225 CG GLU A 16 -12.643 4.659 4.349 1.00 0.00 C ATOM 226 CD GLU A 16 -13.848 5.402 4.965 1.00 0.00 C ATOM 227 OE1 GLU A 16 -14.021 5.399 6.209 1.00 0.00 O ATOM 228 OE2 GLU A 16 -14.629 6.021 4.200 1.00 0.00 O ATOM 0 H GLU A 16 -12.759 1.845 3.126 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.363 3.122 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.213 2.766 5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.961 3.605 6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.773 5.315 4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.858 4.429 3.305 1.00 0.00 H new ATOM 235 N LEU A 17 -9.668 1.591 6.047 1.00 0.00 N ATOM 236 CA LEU A 17 -9.112 0.696 7.071 1.00 0.00 C ATOM 237 C LEU A 17 -8.539 1.490 8.264 1.00 0.00 C ATOM 238 O LEU A 17 -8.292 2.694 8.178 1.00 0.00 O ATOM 239 CB LEU A 17 -8.030 -0.225 6.460 1.00 0.00 C ATOM 240 CG LEU A 17 -8.549 -1.316 5.497 1.00 0.00 C ATOM 241 CD1 LEU A 17 -8.442 -0.902 4.026 1.00 0.00 C ATOM 242 CD2 LEU A 17 -7.730 -2.600 5.657 1.00 0.00 C ATOM 0 H LEU A 17 -9.100 2.428 5.915 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.926 0.075 7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.311 0.395 5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.490 -0.710 7.273 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.597 -1.470 5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.820 -1.705 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.031 -0.000 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.399 -0.706 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.107 -3.360 4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.684 -2.395 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.816 -2.961 6.682 1.00 0.00 H new ATOM 254 N GLU A 18 -8.293 0.801 9.378 1.00 0.00 N ATOM 255 CA GLU A 18 -7.558 1.303 10.548 1.00 0.00 C ATOM 256 C GLU A 18 -6.267 0.489 10.755 1.00 0.00 C ATOM 257 O GLU A 18 -6.281 -0.740 10.636 1.00 0.00 O ATOM 258 CB GLU A 18 -8.478 1.267 11.782 1.00 0.00 C ATOM 259 CG GLU A 18 -7.786 1.745 13.068 1.00 0.00 C ATOM 260 CD GLU A 18 -8.764 1.871 14.254 1.00 0.00 C ATOM 261 OE1 GLU A 18 -9.635 0.986 14.445 1.00 0.00 O ATOM 262 OE2 GLU A 18 -8.651 2.853 15.028 1.00 0.00 O ATOM 0 H GLU A 18 -8.611 -0.161 9.499 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.258 2.338 10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.352 1.891 11.594 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.839 0.249 11.928 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.991 1.047 13.330 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.315 2.711 12.886 1.00 0.00 H new ATOM 269 N VAL A 19 -5.155 1.164 11.067 1.00 0.00 N ATOM 270 CA VAL A 19 -3.816 0.555 11.228 1.00 0.00 C ATOM 271 C VAL A 19 -3.055 1.154 12.417 1.00 0.00 C ATOM 272 O VAL A 19 -3.344 2.267 12.859 1.00 0.00 O ATOM 273 CB VAL A 19 -2.968 0.667 9.938 1.00 0.00 C ATOM 274 CG1 VAL A 19 -3.614 -0.055 8.748 1.00 0.00 C ATOM 275 CG2 VAL A 19 -2.674 2.116 9.532 1.00 0.00 C ATOM 0 H VAL A 19 -5.154 2.173 11.220 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.984 -0.503 11.430 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.026 0.179 10.189 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.980 0.054 7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.729 -1.113 8.983 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.592 0.381 8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.076 2.124 8.621 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.612 2.642 9.355 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.124 2.613 10.331 1.00 0.00 H new ATOM 285 N ALA A 20 -2.057 0.430 12.932 1.00 0.00 N ATOM 286 CA ALA A 20 -1.118 0.954 13.925 1.00 0.00 C ATOM 287 C ALA A 20 -0.215 2.062 13.324 1.00 0.00 C ATOM 288 O ALA A 20 0.124 1.991 12.138 1.00 0.00 O ATOM 289 CB ALA A 20 -0.290 -0.218 14.474 1.00 0.00 C ATOM 0 H ALA A 20 -1.878 -0.539 12.670 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.670 1.421 14.740 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.417 0.152 15.217 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.954 -0.947 14.937 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.256 -0.692 13.658 1.00 0.00 H new ATOM 295 N PRO A 21 0.235 3.061 14.114 1.00 0.00 N ATOM 296 CA PRO A 21 1.129 4.121 13.630 1.00 0.00 C ATOM 297 C PRO A 21 2.520 3.601 13.216 1.00 0.00 C ATOM 298 O PRO A 21 3.172 4.203 12.364 1.00 0.00 O ATOM 299 CB PRO A 21 1.215 5.130 14.781 1.00 0.00 C ATOM 300 CG PRO A 21 0.929 4.292 16.028 1.00 0.00 C ATOM 301 CD PRO A 21 -0.080 3.263 15.523 1.00 0.00 C ATOM 0 HA PRO A 21 0.736 4.571 12.718 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.199 5.597 14.830 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.487 5.933 14.664 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.832 3.818 16.412 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.519 4.897 16.836 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.000 2.330 16.080 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.102 3.622 15.648 1.00 0.00 H new ATOM 309 N ASN A 22 2.952 2.457 13.764 1.00 0.00 N ATOM 310 CA ASN A 22 4.190 1.745 13.412 1.00 0.00 C ATOM 311 C ASN A 22 4.050 0.834 12.167 1.00 0.00 C ATOM 312 O ASN A 22 4.676 -0.227 12.085 1.00 0.00 O ATOM 313 CB ASN A 22 4.727 1.024 14.665 1.00 0.00 C ATOM 314 CG ASN A 22 5.309 2.002 15.671 1.00 0.00 C ATOM 315 OD1 ASN A 22 6.391 2.541 15.484 1.00 0.00 O ATOM 316 ND2 ASN A 22 4.623 2.280 16.757 1.00 0.00 N ATOM 0 H ASN A 22 2.426 1.981 14.497 1.00 0.00 H new ATOM 0 HA ASN A 22 4.935 2.475 13.095 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.921 0.458 15.132 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.492 0.306 14.371 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.993 2.942 17.439 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.720 1.834 16.918 1.00 0.00 H new ATOM 323 N ALA A 23 3.223 1.228 11.191 1.00 0.00 N ATOM 324 CA ALA A 23 3.068 0.524 9.917 1.00 0.00 C ATOM 325 C ALA A 23 4.405 0.468 9.143 1.00 0.00 C ATOM 326 O ALA A 23 4.971 1.503 8.775 1.00 0.00 O ATOM 327 CB ALA A 23 1.960 1.209 9.105 1.00 0.00 C ATOM 0 H ALA A 23 2.635 2.058 11.268 1.00 0.00 H new ATOM 0 HA ALA A 23 2.779 -0.511 10.102 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.835 0.693 8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.024 1.173 9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.233 2.248 8.922 1.00 0.00 H new ATOM 333 N THR A 24 4.910 -0.747 8.908 1.00 0.00 N ATOM 334 CA THR A 24 6.214 -1.006 8.268 1.00 0.00 C ATOM 335 C THR A 24 6.041 -1.299 6.777 1.00 0.00 C ATOM 336 O THR A 24 5.260 -2.174 6.402 1.00 0.00 O ATOM 337 CB THR A 24 6.939 -2.168 8.975 1.00 0.00 C ATOM 338 OG1 THR A 24 7.149 -1.868 10.341 1.00 0.00 O ATOM 339 CG2 THR A 24 8.316 -2.474 8.382 1.00 0.00 C ATOM 0 H THR A 24 4.415 -1.602 9.162 1.00 0.00 H new ATOM 0 HA THR A 24 6.827 -0.110 8.364 1.00 0.00 H new ATOM 0 HB THR A 24 6.288 -3.031 8.840 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.609 -2.618 10.774 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.771 -3.302 8.926 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.208 -2.746 7.332 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.952 -1.593 8.465 1.00 0.00 H new ATOM 347 N VAL A 25 6.799 -0.613 5.913 1.00 0.00 N ATOM 348 CA VAL A 25 6.670 -0.712 4.441 1.00 0.00 C ATOM 349 C VAL A 25 6.883 -2.144 3.935 1.00 0.00 C ATOM 350 O VAL A 25 6.090 -2.638 3.134 1.00 0.00 O ATOM 351 CB VAL A 25 7.637 0.265 3.739 1.00 0.00 C ATOM 352 CG1 VAL A 25 7.578 0.170 2.208 1.00 0.00 C ATOM 353 CG2 VAL A 25 7.320 1.714 4.125 1.00 0.00 C ATOM 0 H VAL A 25 7.528 0.035 6.212 1.00 0.00 H new ATOM 0 HA VAL A 25 5.647 -0.431 4.190 1.00 0.00 H new ATOM 0 HB VAL A 25 8.635 -0.022 4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.280 0.881 1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.843 -0.840 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.569 0.402 1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.014 2.385 3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.299 1.955 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.421 1.834 5.204 1.00 0.00 H new ATOM 363 N GLY A 26 7.901 -2.843 4.446 1.00 0.00 N ATOM 364 CA GLY A 26 8.181 -4.242 4.096 1.00 0.00 C ATOM 365 C GLY A 26 7.066 -5.210 4.507 1.00 0.00 C ATOM 366 O GLY A 26 6.740 -6.124 3.749 1.00 0.00 O ATOM 0 H GLY A 26 8.560 -2.452 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.336 -4.315 3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.112 -4.548 4.574 1.00 0.00 H new ATOM 370 N ALA A 27 6.417 -4.982 5.654 1.00 0.00 N ATOM 371 CA ALA A 27 5.285 -5.787 6.119 1.00 0.00 C ATOM 372 C ALA A 27 4.022 -5.571 5.265 1.00 0.00 C ATOM 373 O ALA A 27 3.310 -6.535 4.966 1.00 0.00 O ATOM 374 CB ALA A 27 5.029 -5.466 7.597 1.00 0.00 C ATOM 0 H ALA A 27 6.666 -4.225 6.291 1.00 0.00 H new ATOM 0 HA ALA A 27 5.536 -6.842 6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.188 -6.058 7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.918 -5.705 8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.799 -4.406 7.705 1.00 0.00 H new ATOM 380 N VAL A 28 3.765 -4.333 4.823 1.00 0.00 N ATOM 381 CA VAL A 28 2.667 -3.992 3.896 1.00 0.00 C ATOM 382 C VAL A 28 2.923 -4.565 2.497 1.00 0.00 C ATOM 383 O VAL A 28 2.033 -5.182 1.914 1.00 0.00 O ATOM 384 CB VAL A 28 2.438 -2.464 3.850 1.00 0.00 C ATOM 385 CG1 VAL A 28 1.378 -2.058 2.817 1.00 0.00 C ATOM 386 CG2 VAL A 28 1.961 -1.940 5.212 1.00 0.00 C ATOM 0 H VAL A 28 4.321 -3.524 5.101 1.00 0.00 H new ATOM 0 HA VAL A 28 1.754 -4.452 4.273 1.00 0.00 H new ATOM 0 HB VAL A 28 3.400 -2.032 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.257 -0.975 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.695 -2.379 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.428 -2.532 3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.807 -0.863 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.023 -2.427 5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.713 -2.158 5.970 1.00 0.00 H new ATOM 396 N ARG A 29 4.153 -4.451 1.973 1.00 0.00 N ATOM 397 CA ARG A 29 4.561 -5.048 0.687 1.00 0.00 C ATOM 398 C ARG A 29 4.503 -6.581 0.714 1.00 0.00 C ATOM 399 O ARG A 29 4.050 -7.195 -0.253 1.00 0.00 O ATOM 400 CB ARG A 29 5.958 -4.514 0.322 1.00 0.00 C ATOM 401 CG ARG A 29 6.412 -4.954 -1.081 1.00 0.00 C ATOM 402 CD ARG A 29 7.687 -4.224 -1.532 1.00 0.00 C ATOM 403 NE ARG A 29 8.836 -4.470 -0.634 1.00 0.00 N ATOM 404 CZ ARG A 29 9.658 -5.506 -0.642 1.00 0.00 C ATOM 405 NH1 ARG A 29 9.526 -6.495 -1.480 1.00 0.00 N ATOM 406 NH2 ARG A 29 10.644 -5.569 0.206 1.00 0.00 N ATOM 0 H ARG A 29 4.903 -3.936 2.434 1.00 0.00 H new ATOM 0 HA ARG A 29 3.855 -4.753 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.951 -3.425 0.373 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.680 -4.863 1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.591 -6.029 -1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.613 -4.762 -1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.946 -4.544 -2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.490 -3.153 -1.578 1.00 0.00 H new ATOM 0 HE ARG A 29 9.015 -3.758 0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.767 -6.488 -2.162 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.181 -7.276 -1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.785 -4.817 0.881 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.275 -6.370 0.196 1.00 0.00 H new ATOM 420 N THR A 30 4.864 -7.200 1.839 1.00 0.00 N ATOM 421 CA THR A 30 4.670 -8.645 2.077 1.00 0.00 C ATOM 422 C THR A 30 3.183 -9.010 2.106 1.00 0.00 C ATOM 423 O THR A 30 2.793 -10.018 1.516 1.00 0.00 O ATOM 424 CB THR A 30 5.365 -9.097 3.376 1.00 0.00 C ATOM 425 OG1 THR A 30 6.757 -8.881 3.277 1.00 0.00 O ATOM 426 CG2 THR A 30 5.183 -10.586 3.680 1.00 0.00 C ATOM 0 H THR A 30 5.303 -6.715 2.622 1.00 0.00 H new ATOM 0 HA THR A 30 5.132 -9.176 1.244 1.00 0.00 H new ATOM 0 HB THR A 30 4.903 -8.511 4.171 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.951 -7.931 3.418 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.698 -10.834 4.608 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.121 -10.809 3.784 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.600 -11.177 2.865 1.00 0.00 H new ATOM 434 N LYS A 31 2.328 -8.169 2.713 1.00 0.00 N ATOM 435 CA LYS A 31 0.863 -8.348 2.719 1.00 0.00 C ATOM 436 C LYS A 31 0.296 -8.342 1.295 1.00 0.00 C ATOM 437 O LYS A 31 -0.428 -9.262 0.923 1.00 0.00 O ATOM 438 CB LYS A 31 0.182 -7.261 3.581 1.00 0.00 C ATOM 439 CG LYS A 31 -1.044 -7.795 4.341 1.00 0.00 C ATOM 440 CD LYS A 31 -0.786 -8.143 5.819 1.00 0.00 C ATOM 441 CE LYS A 31 0.355 -9.145 6.072 1.00 0.00 C ATOM 442 NZ LYS A 31 1.640 -8.480 6.432 1.00 0.00 N ATOM 0 H LYS A 31 2.636 -7.338 3.218 1.00 0.00 H new ATOM 0 HA LYS A 31 0.649 -9.322 3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.903 -6.863 4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.123 -6.433 2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.838 -7.050 4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.410 -8.686 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.564 -7.222 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.704 -8.548 6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.065 -9.823 6.874 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.503 -9.752 5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.294 -9.182 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.064 -8.060 5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.460 -7.733 7.133 1.00 0.00 H new ATOM 456 N VAL A 32 0.695 -7.361 0.480 1.00 0.00 N ATOM 457 CA VAL A 32 0.345 -7.252 -0.949 1.00 0.00 C ATOM 458 C VAL A 32 0.771 -8.502 -1.724 1.00 0.00 C ATOM 459 O VAL A 32 -0.052 -9.103 -2.415 1.00 0.00 O ATOM 460 CB VAL A 32 0.971 -5.974 -1.550 1.00 0.00 C ATOM 461 CG1 VAL A 32 0.994 -5.956 -3.085 1.00 0.00 C ATOM 462 CG2 VAL A 32 0.206 -4.736 -1.066 1.00 0.00 C ATOM 0 H VAL A 32 1.288 -6.596 0.801 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.739 -7.178 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 32 2.005 -5.964 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.448 -5.027 -3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.576 -6.802 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.025 -6.025 -3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.655 -3.840 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.835 -4.806 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.254 -4.681 0.022 1.00 0.00 H new ATOM 472 N CYS A 33 2.027 -8.933 -1.572 1.00 0.00 N ATOM 473 CA CYS A 33 2.568 -10.118 -2.243 1.00 0.00 C ATOM 474 C CYS A 33 1.794 -11.398 -1.873 1.00 0.00 C ATOM 475 O CYS A 33 1.408 -12.169 -2.755 1.00 0.00 O ATOM 476 CB CYS A 33 4.062 -10.209 -1.895 1.00 0.00 C ATOM 477 SG CYS A 33 4.844 -11.585 -2.787 1.00 0.00 S ATOM 0 H CYS A 33 2.705 -8.463 -0.972 1.00 0.00 H new ATOM 0 HA CYS A 33 2.450 -10.023 -3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.558 -9.273 -2.152 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.183 -10.349 -0.821 1.00 0.00 H new ATOM 0 HG CYS A 33 6.106 -11.641 -2.479 1.00 0.00 H new ATOM 483 N ALA A 34 1.489 -11.595 -0.584 1.00 0.00 N ATOM 484 CA ALA A 34 0.715 -12.736 -0.091 1.00 0.00 C ATOM 485 C ALA A 34 -0.755 -12.722 -0.562 1.00 0.00 C ATOM 486 O ALA A 34 -1.283 -13.762 -0.962 1.00 0.00 O ATOM 487 CB ALA A 34 0.811 -12.752 1.439 1.00 0.00 C ATOM 0 H ALA A 34 1.779 -10.955 0.155 1.00 0.00 H new ATOM 0 HA ALA A 34 1.139 -13.649 -0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.241 -13.595 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.855 -12.850 1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.405 -11.823 1.839 1.00 0.00 H new ATOM 493 N MET A 35 -1.413 -11.555 -0.553 1.00 0.00 N ATOM 494 CA MET A 35 -2.810 -11.392 -0.986 1.00 0.00 C ATOM 495 C MET A 35 -2.990 -11.590 -2.499 1.00 0.00 C ATOM 496 O MET A 35 -3.937 -12.260 -2.921 1.00 0.00 O ATOM 497 CB MET A 35 -3.330 -10.006 -0.570 1.00 0.00 C ATOM 498 CG MET A 35 -3.603 -9.928 0.937 1.00 0.00 C ATOM 499 SD MET A 35 -4.049 -8.269 1.520 1.00 0.00 S ATOM 500 CE MET A 35 -4.564 -8.676 3.211 1.00 0.00 C ATOM 0 H MET A 35 -0.985 -10.684 -0.240 1.00 0.00 H new ATOM 0 HA MET A 35 -3.391 -12.171 -0.492 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.599 -9.246 -0.847 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.246 -9.782 -1.117 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.409 -10.619 1.186 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.717 -10.265 1.475 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.875 -7.767 3.725 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.398 -9.378 3.179 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.729 -9.129 3.747 1.00 0.00 H new ATOM 510 N LYS A 36 -2.081 -11.043 -3.321 1.00 0.00 N ATOM 511 CA LYS A 36 -2.102 -11.203 -4.787 1.00 0.00 C ATOM 512 C LYS A 36 -1.532 -12.535 -5.287 1.00 0.00 C ATOM 513 O LYS A 36 -1.872 -12.947 -6.396 1.00 0.00 O ATOM 514 CB LYS A 36 -1.361 -10.029 -5.445 1.00 0.00 C ATOM 515 CG LYS A 36 -2.188 -8.727 -5.410 1.00 0.00 C ATOM 516 CD LYS A 36 -2.174 -8.031 -6.776 1.00 0.00 C ATOM 517 CE LYS A 36 -2.960 -8.831 -7.829 1.00 0.00 C ATOM 518 NZ LYS A 36 -2.371 -8.685 -9.185 1.00 0.00 N ATOM 0 H LYS A 36 -1.304 -10.473 -2.987 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.153 -11.207 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.411 -9.868 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.128 -10.282 -6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.215 -8.952 -5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.785 -8.056 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.604 -7.034 -6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.144 -7.904 -7.109 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.973 -9.885 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.996 -8.492 -7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.853 -9.329 -9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.489 -7.704 -9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.358 -8.919 -9.151 1.00 0.00 H new ATOM 532 N LYS A 37 -0.672 -13.196 -4.502 1.00 0.00 N ATOM 533 CA LYS A 37 0.059 -14.433 -4.861 1.00 0.00 C ATOM 534 C LYS A 37 0.978 -14.264 -6.094 1.00 0.00 C ATOM 535 O LYS A 37 1.262 -15.226 -6.808 1.00 0.00 O ATOM 536 CB LYS A 37 -0.938 -15.617 -4.927 1.00 0.00 C ATOM 537 CG LYS A 37 -0.485 -16.887 -4.183 1.00 0.00 C ATOM 538 CD LYS A 37 0.706 -17.641 -4.791 1.00 0.00 C ATOM 539 CE LYS A 37 0.376 -18.195 -6.182 1.00 0.00 C ATOM 540 NZ LYS A 37 1.518 -18.955 -6.751 1.00 0.00 N ATOM 0 H LYS A 37 -0.453 -12.876 -3.559 1.00 0.00 H new ATOM 0 HA LYS A 37 0.775 -14.671 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.893 -15.292 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.112 -15.869 -5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.230 -16.612 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.331 -17.572 -4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.564 -16.972 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.993 -18.460 -4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.498 -18.843 -6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.116 -17.374 -6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.261 -19.316 -7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.345 -18.329 -6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.750 -19.753 -6.126 1.00 0.00 H new ATOM 554 N LEU A 38 1.436 -13.033 -6.349 1.00 0.00 N ATOM 555 CA LEU A 38 2.269 -12.620 -7.490 1.00 0.00 C ATOM 556 C LEU A 38 3.361 -11.609 -7.054 1.00 0.00 C ATOM 557 O LEU A 38 3.175 -10.906 -6.052 1.00 0.00 O ATOM 558 CB LEU A 38 1.377 -12.028 -8.609 1.00 0.00 C ATOM 559 CG LEU A 38 0.907 -13.053 -9.668 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.496 -13.590 -9.387 1.00 0.00 C ATOM 561 CD2 LEU A 38 0.872 -12.412 -11.058 1.00 0.00 C ATOM 0 H LEU A 38 1.224 -12.251 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 38 2.780 -13.500 -7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.500 -11.569 -8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.927 -11.233 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 38 1.623 -13.874 -9.624 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.774 -14.305 -10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.509 -14.084 -8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.208 -12.764 -9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.539 -13.148 -11.790 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.182 -11.568 -11.052 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.870 -12.063 -11.323 1.00 0.00 H new ATOM 573 N PRO A 39 4.498 -11.531 -7.778 1.00 0.00 N ATOM 574 CA PRO A 39 5.664 -10.720 -7.403 1.00 0.00 C ATOM 575 C PRO A 39 5.443 -9.195 -7.527 1.00 0.00 C ATOM 576 O PRO A 39 4.542 -8.745 -8.244 1.00 0.00 O ATOM 577 CB PRO A 39 6.790 -11.198 -8.335 1.00 0.00 C ATOM 578 CG PRO A 39 6.046 -11.647 -9.588 1.00 0.00 C ATOM 579 CD PRO A 39 4.782 -12.270 -9.004 1.00 0.00 C ATOM 0 HA PRO A 39 5.893 -10.859 -6.346 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.498 -10.398 -8.553 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.359 -12.015 -7.891 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.820 -10.811 -10.249 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.624 -12.366 -10.169 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.951 -12.196 -9.705 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.930 -13.330 -8.795 1.00 0.00 H new ATOM 587 N PRO A 40 6.309 -8.368 -6.901 1.00 0.00 N ATOM 588 CA PRO A 40 6.264 -6.906 -7.025 1.00 0.00 C ATOM 589 C PRO A 40 6.551 -6.387 -8.453 1.00 0.00 C ATOM 590 O PRO A 40 6.233 -5.240 -8.770 1.00 0.00 O ATOM 591 CB PRO A 40 7.293 -6.381 -6.016 1.00 0.00 C ATOM 592 CG PRO A 40 8.299 -7.525 -5.905 1.00 0.00 C ATOM 593 CD PRO A 40 7.409 -8.759 -6.026 1.00 0.00 C ATOM 0 HA PRO A 40 5.256 -6.545 -6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.766 -5.463 -6.366 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.833 -6.156 -5.054 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.048 -7.485 -6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.836 -7.503 -4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.961 -9.601 -6.444 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.040 -9.073 -5.050 1.00 0.00 H new ATOM 601 N ASP A 41 7.113 -7.219 -9.338 1.00 0.00 N ATOM 602 CA ASP A 41 7.319 -6.891 -10.758 1.00 0.00 C ATOM 603 C ASP A 41 6.000 -6.765 -11.551 1.00 0.00 C ATOM 604 O ASP A 41 5.937 -6.006 -12.521 1.00 0.00 O ATOM 605 CB ASP A 41 8.217 -7.954 -11.413 1.00 0.00 C ATOM 606 CG ASP A 41 9.647 -8.044 -10.842 1.00 0.00 C ATOM 607 OD1 ASP A 41 10.140 -7.078 -10.212 1.00 0.00 O ATOM 608 OD2 ASP A 41 10.303 -9.091 -11.057 1.00 0.00 O ATOM 0 H ASP A 41 7.442 -8.151 -9.087 1.00 0.00 H new ATOM 0 HA ASP A 41 7.801 -5.914 -10.788 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.738 -8.927 -11.307 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.281 -7.745 -12.481 1.00 0.00 H new ATOM 613 N THR A 42 4.945 -7.483 -11.144 1.00 0.00 N ATOM 614 CA THR A 42 3.614 -7.479 -11.789 1.00 0.00 C ATOM 615 C THR A 42 2.562 -6.653 -11.037 1.00 0.00 C ATOM 616 O THR A 42 1.483 -6.410 -11.578 1.00 0.00 O ATOM 617 CB THR A 42 3.105 -8.913 -12.012 1.00 0.00 C ATOM 618 OG1 THR A 42 3.173 -9.674 -10.825 1.00 0.00 O ATOM 619 CG2 THR A 42 3.931 -9.657 -13.063 1.00 0.00 C ATOM 0 H THR A 42 4.989 -8.102 -10.335 1.00 0.00 H new ATOM 0 HA THR A 42 3.758 -6.990 -12.752 1.00 0.00 H new ATOM 0 HB THR A 42 2.073 -8.809 -12.348 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.755 -10.449 -10.966 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.537 -10.665 -13.189 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.876 -9.125 -14.013 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.970 -9.712 -12.738 1.00 0.00 H new ATOM 627 N THR A 43 2.844 -6.197 -9.809 1.00 0.00 N ATOM 628 CA THR A 43 1.992 -5.269 -9.037 1.00 0.00 C ATOM 629 C THR A 43 2.833 -4.370 -8.127 1.00 0.00 C ATOM 630 O THR A 43 3.556 -4.874 -7.266 1.00 0.00 O ATOM 631 CB THR A 43 0.950 -6.021 -8.187 1.00 0.00 C ATOM 632 OG1 THR A 43 0.032 -6.700 -9.016 1.00 0.00 O ATOM 633 CG2 THR A 43 0.113 -5.084 -7.313 1.00 0.00 C ATOM 0 H THR A 43 3.691 -6.467 -9.309 1.00 0.00 H new ATOM 0 HA THR A 43 1.467 -4.651 -9.765 1.00 0.00 H new ATOM 0 HB THR A 43 1.525 -6.703 -7.561 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.305 -6.605 -9.953 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.604 -5.668 -6.736 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.768 -4.539 -6.633 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.422 -4.376 -7.947 1.00 0.00 H new ATOM 641 N ARG A 44 2.699 -3.044 -8.269 1.00 0.00 N ATOM 642 CA ARG A 44 3.405 -2.034 -7.452 1.00 0.00 C ATOM 643 C ARG A 44 2.481 -1.265 -6.500 1.00 0.00 C ATOM 644 O ARG A 44 1.269 -1.199 -6.709 1.00 0.00 O ATOM 645 CB ARG A 44 4.250 -1.109 -8.351 1.00 0.00 C ATOM 646 CG ARG A 44 3.422 -0.224 -9.296 1.00 0.00 C ATOM 647 CD ARG A 44 4.330 0.732 -10.080 1.00 0.00 C ATOM 648 NE ARG A 44 3.570 1.555 -11.042 1.00 0.00 N ATOM 649 CZ ARG A 44 2.902 2.671 -10.802 1.00 0.00 C ATOM 650 NH1 ARG A 44 2.779 3.165 -9.603 1.00 0.00 N ATOM 651 NH2 ARG A 44 2.332 3.318 -11.776 1.00 0.00 N ATOM 0 H ARG A 44 2.084 -2.629 -8.969 1.00 0.00 H new ATOM 0 HA ARG A 44 4.087 -2.570 -6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.866 -0.470 -7.719 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.930 -1.720 -8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.860 -0.850 -9.989 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.694 0.348 -8.721 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.857 1.384 -9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.087 0.157 -10.614 1.00 0.00 H new ATOM 0 HE ARG A 44 3.559 1.223 -12.007 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.206 2.688 -8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.256 4.028 -9.458 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.399 2.965 -12.731 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.818 4.178 -11.585 1.00 0.00 H new ATOM 665 N LEU A 45 3.079 -0.654 -5.477 1.00 0.00 N ATOM 666 CA LEU A 45 2.429 0.128 -4.418 1.00 0.00 C ATOM 667 C LEU A 45 3.068 1.523 -4.313 1.00 0.00 C ATOM 668 O LEU A 45 4.294 1.633 -4.232 1.00 0.00 O ATOM 669 CB LEU A 45 2.557 -0.665 -3.098 1.00 0.00 C ATOM 670 CG LEU A 45 2.140 0.081 -1.815 1.00 0.00 C ATOM 671 CD1 LEU A 45 0.658 0.448 -1.791 1.00 0.00 C ATOM 672 CD2 LEU A 45 2.425 -0.796 -0.595 1.00 0.00 C ATOM 0 H LEU A 45 4.091 -0.692 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 45 1.374 0.284 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.953 -1.569 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.594 -0.983 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 45 2.720 1.004 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.428 0.971 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.430 1.095 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.057 -0.459 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.129 -0.267 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.859 -1.724 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.490 -1.023 -0.551 1.00 0.00 H new ATOM 684 N THR A 46 2.251 2.577 -4.255 1.00 0.00 N ATOM 685 CA THR A 46 2.692 3.960 -3.977 1.00 0.00 C ATOM 686 C THR A 46 1.751 4.677 -3.000 1.00 0.00 C ATOM 687 O THR A 46 0.592 4.291 -2.809 1.00 0.00 O ATOM 688 CB THR A 46 2.893 4.794 -5.260 1.00 0.00 C ATOM 689 OG1 THR A 46 1.710 4.873 -6.018 1.00 0.00 O ATOM 690 CG2 THR A 46 3.990 4.250 -6.175 1.00 0.00 C ATOM 0 H THR A 46 1.245 2.500 -4.402 1.00 0.00 H new ATOM 0 HA THR A 46 3.668 3.870 -3.499 1.00 0.00 H new ATOM 0 HB THR A 46 3.190 5.779 -4.901 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.872 5.409 -6.822 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.076 4.885 -7.057 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.939 4.241 -5.640 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.738 3.235 -6.482 1.00 0.00 H new ATOM 698 N TYR A 47 2.277 5.718 -2.352 1.00 0.00 N ATOM 699 CA TYR A 47 1.645 6.514 -1.294 1.00 0.00 C ATOM 700 C TYR A 47 1.848 8.005 -1.589 1.00 0.00 C ATOM 701 O TYR A 47 2.977 8.436 -1.825 1.00 0.00 O ATOM 702 CB TYR A 47 2.274 6.126 0.053 1.00 0.00 C ATOM 703 CG TYR A 47 2.119 7.161 1.152 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.902 7.278 1.848 1.00 0.00 C ATOM 705 CD2 TYR A 47 3.180 8.042 1.443 1.00 0.00 C ATOM 706 CE1 TYR A 47 0.739 8.289 2.814 1.00 0.00 C ATOM 707 CE2 TYR A 47 3.026 9.042 2.423 1.00 0.00 C ATOM 708 CZ TYR A 47 1.801 9.171 3.112 1.00 0.00 C ATOM 709 OH TYR A 47 1.651 10.150 4.046 1.00 0.00 O ATOM 0 H TYR A 47 3.217 6.051 -2.565 1.00 0.00 H new ATOM 0 HA TYR A 47 0.573 6.319 -1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.828 5.190 0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.336 5.936 -0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.093 6.593 1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.116 7.950 0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.204 8.391 3.330 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.845 9.710 2.647 1.00 0.00 H new ATOM 0 HH TYR A 47 0.835 9.986 4.563 1.00 0.00 H new ATOM 719 N LYS A 48 0.765 8.797 -1.618 1.00 0.00 N ATOM 720 CA LYS A 48 0.789 10.227 -2.011 1.00 0.00 C ATOM 721 C LYS A 48 1.491 10.480 -3.371 1.00 0.00 C ATOM 722 O LYS A 48 2.144 11.506 -3.573 1.00 0.00 O ATOM 723 CB LYS A 48 1.383 11.057 -0.849 1.00 0.00 C ATOM 724 CG LYS A 48 0.934 12.531 -0.865 1.00 0.00 C ATOM 725 CD LYS A 48 1.972 13.483 -0.251 1.00 0.00 C ATOM 726 CE LYS A 48 3.184 13.648 -1.182 1.00 0.00 C ATOM 727 NZ LYS A 48 4.160 14.633 -0.648 1.00 0.00 N ATOM 0 H LYS A 48 -0.166 8.465 -1.367 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.235 10.557 -2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.090 10.605 0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.471 11.015 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.736 12.833 -1.893 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.005 12.625 -0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.515 14.455 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.300 13.097 0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.675 12.684 -1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.845 13.970 -2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.963 14.717 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.698 15.559 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.503 14.314 0.280 1.00 0.00 H new ATOM 741 N GLY A 49 1.421 9.508 -4.288 1.00 0.00 N ATOM 742 CA GLY A 49 2.123 9.509 -5.585 1.00 0.00 C ATOM 743 C GLY A 49 3.629 9.187 -5.537 1.00 0.00 C ATOM 744 O GLY A 49 4.286 9.207 -6.581 1.00 0.00 O ATOM 0 H GLY A 49 0.857 8.670 -4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.637 8.785 -6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.996 10.489 -6.044 1.00 0.00 H new ATOM 748 N ARG A 50 4.189 8.886 -4.356 1.00 0.00 N ATOM 749 CA ARG A 50 5.607 8.563 -4.103 1.00 0.00 C ATOM 750 C ARG A 50 5.802 7.061 -3.851 1.00 0.00 C ATOM 751 O ARG A 50 4.950 6.410 -3.243 1.00 0.00 O ATOM 752 CB ARG A 50 6.098 9.398 -2.896 1.00 0.00 C ATOM 753 CG ARG A 50 7.400 10.191 -3.103 1.00 0.00 C ATOM 754 CD ARG A 50 8.656 9.339 -3.341 1.00 0.00 C ATOM 755 NE ARG A 50 8.915 9.099 -4.777 1.00 0.00 N ATOM 756 CZ ARG A 50 9.903 8.378 -5.280 1.00 0.00 C ATOM 757 NH1 ARG A 50 10.686 7.657 -4.528 1.00 0.00 N ATOM 758 NH2 ARG A 50 10.114 8.356 -6.564 1.00 0.00 N ATOM 0 H ARG A 50 3.635 8.859 -3.500 1.00 0.00 H new ATOM 0 HA ARG A 50 6.196 8.814 -4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.310 10.099 -2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.237 8.726 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.268 10.859 -3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.567 10.819 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.518 9.838 -2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.544 8.382 -2.831 1.00 0.00 H new ATOM 0 HE ARG A 50 8.272 9.530 -5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.546 7.637 -3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.439 7.113 -4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.516 8.897 -7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.878 7.798 -6.946 1.00 0.00 H new ATOM 772 N ALA A 51 6.936 6.504 -4.272 1.00 0.00 N ATOM 773 CA ALA A 51 7.345 5.147 -3.904 1.00 0.00 C ATOM 774 C ALA A 51 7.937 5.116 -2.480 1.00 0.00 C ATOM 775 O ALA A 51 8.922 5.806 -2.198 1.00 0.00 O ATOM 776 CB ALA A 51 8.333 4.623 -4.953 1.00 0.00 C ATOM 0 H ALA A 51 7.601 6.982 -4.880 1.00 0.00 H new ATOM 0 HA ALA A 51 6.475 4.491 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.644 3.612 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.852 4.610 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.207 5.274 -4.987 1.00 0.00 H new ATOM 782 N LEU A 52 7.352 4.307 -1.590 1.00 0.00 N ATOM 783 CA LEU A 52 7.890 4.024 -0.253 1.00 0.00 C ATOM 784 C LEU A 52 8.950 2.911 -0.307 1.00 0.00 C ATOM 785 O LEU A 52 8.725 1.860 -0.914 1.00 0.00 O ATOM 786 CB LEU A 52 6.747 3.622 0.702 1.00 0.00 C ATOM 787 CG LEU A 52 5.838 4.777 1.156 1.00 0.00 C ATOM 788 CD1 LEU A 52 4.611 4.208 1.871 1.00 0.00 C ATOM 789 CD2 LEU A 52 6.547 5.723 2.129 1.00 0.00 C ATOM 0 H LEU A 52 6.476 3.821 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 52 8.368 4.930 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.132 2.868 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.181 3.153 1.585 1.00 0.00 H new ATOM 0 HG LEU A 52 5.559 5.336 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.966 5.025 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.061 3.559 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.930 3.634 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.866 6.522 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.857 5.168 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.424 6.153 1.645 1.00 0.00 H new ATOM 801 N LYS A 53 10.083 3.123 0.374 1.00 0.00 N ATOM 802 CA LYS A 53 11.139 2.121 0.611 1.00 0.00 C ATOM 803 C LYS A 53 12.021 2.537 1.795 1.00 0.00 C ATOM 804 O LYS A 53 12.262 3.728 1.989 1.00 0.00 O ATOM 805 CB LYS A 53 11.987 1.940 -0.670 1.00 0.00 C ATOM 806 CG LYS A 53 12.683 0.570 -0.780 1.00 0.00 C ATOM 807 CD LYS A 53 11.734 -0.631 -0.972 1.00 0.00 C ATOM 808 CE LYS A 53 10.817 -0.541 -2.205 1.00 0.00 C ATOM 809 NZ LYS A 53 11.576 -0.593 -3.483 1.00 0.00 N ATOM 0 H LYS A 53 10.301 4.028 0.791 1.00 0.00 H new ATOM 0 HA LYS A 53 10.673 1.167 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.345 2.079 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.744 2.723 -0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.380 0.600 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.274 0.406 0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.332 -1.539 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.113 -0.731 -0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.098 -1.360 -2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.246 0.387 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.914 -0.529 -4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.245 0.203 -3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.101 -1.489 -3.539 1.00 0.00 H new ATOM 823 N ASP A 54 12.493 1.569 2.585 1.00 0.00 N ATOM 824 CA ASP A 54 13.439 1.753 3.708 1.00 0.00 C ATOM 825 C ASP A 54 13.020 2.825 4.751 1.00 0.00 C ATOM 826 O ASP A 54 13.854 3.474 5.386 1.00 0.00 O ATOM 827 CB ASP A 54 14.862 1.957 3.146 1.00 0.00 C ATOM 828 CG ASP A 54 15.991 1.711 4.167 1.00 0.00 C ATOM 829 OD1 ASP A 54 15.809 0.926 5.129 1.00 0.00 O ATOM 830 OD2 ASP A 54 17.101 2.263 3.969 1.00 0.00 O ATOM 0 H ASP A 54 12.221 0.594 2.462 1.00 0.00 H new ATOM 0 HA ASP A 54 13.422 0.838 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.004 1.288 2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.947 2.975 2.767 1.00 0.00 H new ATOM 835 N THR A 55 11.709 3.048 4.901 1.00 0.00 N ATOM 836 CA THR A 55 11.118 4.121 5.733 1.00 0.00 C ATOM 837 C THR A 55 11.015 3.739 7.218 1.00 0.00 C ATOM 838 O THR A 55 10.991 4.613 8.082 1.00 0.00 O ATOM 839 CB THR A 55 9.736 4.487 5.157 1.00 0.00 C ATOM 840 OG1 THR A 55 9.888 4.957 3.832 1.00 0.00 O ATOM 841 CG2 THR A 55 8.958 5.569 5.905 1.00 0.00 C ATOM 0 H THR A 55 11.004 2.475 4.437 1.00 0.00 H new ATOM 0 HA THR A 55 11.781 4.985 5.697 1.00 0.00 H new ATOM 0 HB THR A 55 9.166 3.562 5.242 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.010 5.188 3.464 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.003 5.740 5.408 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.780 5.246 6.931 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.535 6.494 5.911 1.00 0.00 H new ATOM 849 N GLU A 56 10.976 2.434 7.522 1.00 0.00 N ATOM 850 CA GLU A 56 10.733 1.804 8.838 1.00 0.00 C ATOM 851 C GLU A 56 9.360 2.101 9.474 1.00 0.00 C ATOM 852 O GLU A 56 8.644 1.169 9.834 1.00 0.00 O ATOM 853 CB GLU A 56 11.877 2.079 9.834 1.00 0.00 C ATOM 854 CG GLU A 56 13.254 1.626 9.320 1.00 0.00 C ATOM 855 CD GLU A 56 14.364 1.690 10.393 1.00 0.00 C ATOM 856 OE1 GLU A 56 14.213 2.384 11.429 1.00 0.00 O ATOM 857 OE2 GLU A 56 15.423 1.041 10.200 1.00 0.00 O ATOM 0 H GLU A 56 11.125 1.730 6.799 1.00 0.00 H new ATOM 0 HA GLU A 56 10.712 0.738 8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.911 3.147 10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.662 1.569 10.773 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.176 0.604 8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.541 2.251 8.474 1.00 0.00 H new ATOM 864 N THR A 57 8.973 3.371 9.607 1.00 0.00 N ATOM 865 CA THR A 57 7.698 3.809 10.203 1.00 0.00 C ATOM 866 C THR A 57 7.325 5.227 9.760 1.00 0.00 C ATOM 867 O THR A 57 8.184 6.107 9.645 1.00 0.00 O ATOM 868 CB THR A 57 7.740 3.710 11.740 1.00 0.00 C ATOM 869 OG1 THR A 57 6.545 4.227 12.278 1.00 0.00 O ATOM 870 CG2 THR A 57 8.888 4.479 12.402 1.00 0.00 C ATOM 0 H THR A 57 9.552 4.151 9.295 1.00 0.00 H new ATOM 0 HA THR A 57 6.923 3.134 9.840 1.00 0.00 H new ATOM 0 HB THR A 57 7.883 2.650 11.949 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.571 4.162 13.256 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.836 4.351 13.483 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.841 4.096 12.037 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.805 5.538 12.158 1.00 0.00 H new ATOM 878 N LEU A 58 6.030 5.471 9.531 1.00 0.00 N ATOM 879 CA LEU A 58 5.508 6.789 9.152 1.00 0.00 C ATOM 880 C LEU A 58 5.666 7.825 10.277 1.00 0.00 C ATOM 881 O LEU A 58 5.794 9.010 9.982 1.00 0.00 O ATOM 882 CB LEU A 58 4.026 6.666 8.730 1.00 0.00 C ATOM 883 CG LEU A 58 3.750 6.280 7.261 1.00 0.00 C ATOM 884 CD1 LEU A 58 4.191 7.377 6.286 1.00 0.00 C ATOM 885 CD2 LEU A 58 4.403 4.962 6.838 1.00 0.00 C ATOM 0 H LEU A 58 5.309 4.754 9.604 1.00 0.00 H new ATOM 0 HA LEU A 58 6.097 7.147 8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.551 5.924 9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.536 7.619 8.929 1.00 0.00 H new ATOM 0 HG LEU A 58 2.668 6.153 7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.978 7.063 5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.648 8.297 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.261 7.553 6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.165 4.757 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.484 5.037 6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.026 4.152 7.462 1.00 0.00 H new ATOM 897 N GLU A 59 5.707 7.420 11.552 1.00 0.00 N ATOM 898 CA GLU A 59 5.827 8.364 12.680 1.00 0.00 C ATOM 899 C GLU A 59 7.198 9.070 12.744 1.00 0.00 C ATOM 900 O GLU A 59 7.307 10.148 13.332 1.00 0.00 O ATOM 901 CB GLU A 59 5.449 7.669 14.002 1.00 0.00 C ATOM 902 CG GLU A 59 6.543 6.783 14.623 1.00 0.00 C ATOM 903 CD GLU A 59 7.482 7.534 15.593 1.00 0.00 C ATOM 904 OE1 GLU A 59 6.994 8.210 16.532 1.00 0.00 O ATOM 905 OE2 GLU A 59 8.723 7.416 15.449 1.00 0.00 O ATOM 0 H GLU A 59 5.659 6.441 11.834 1.00 0.00 H new ATOM 0 HA GLU A 59 5.113 9.169 12.508 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.171 8.434 14.727 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.564 7.056 13.830 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.070 5.959 15.157 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.139 6.344 13.823 1.00 0.00 H new ATOM 912 N SER A 60 8.228 8.506 12.099 1.00 0.00 N ATOM 913 CA SER A 60 9.553 9.128 11.958 1.00 0.00 C ATOM 914 C SER A 60 9.558 10.268 10.924 1.00 0.00 C ATOM 915 O SER A 60 10.197 11.303 11.134 1.00 0.00 O ATOM 916 CB SER A 60 10.573 8.044 11.578 1.00 0.00 C ATOM 917 OG SER A 60 11.886 8.571 11.465 1.00 0.00 O ATOM 0 H SER A 60 8.164 7.591 11.653 1.00 0.00 H new ATOM 0 HA SER A 60 9.824 9.578 12.913 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.562 7.255 12.330 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.282 7.587 10.632 1.00 0.00 H new ATOM 0 HG SER A 60 12.507 7.852 11.224 1.00 0.00 H new ATOM 923 N LEU A 61 8.819 10.101 9.817 1.00 0.00 N ATOM 924 CA LEU A 61 8.759 11.050 8.694 1.00 0.00 C ATOM 925 C LEU A 61 7.640 12.101 8.854 1.00 0.00 C ATOM 926 O LEU A 61 7.824 13.256 8.465 1.00 0.00 O ATOM 927 CB LEU A 61 8.584 10.261 7.376 1.00 0.00 C ATOM 928 CG LEU A 61 9.836 9.576 6.782 1.00 0.00 C ATOM 929 CD1 LEU A 61 10.896 10.589 6.346 1.00 0.00 C ATOM 930 CD2 LEU A 61 10.502 8.557 7.708 1.00 0.00 C ATOM 0 H LEU A 61 8.231 9.280 9.674 1.00 0.00 H new ATOM 0 HA LEU A 61 9.696 11.607 8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.828 9.494 7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.186 10.944 6.625 1.00 0.00 H new ATOM 0 HG LEU A 61 9.446 9.038 5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.757 10.061 5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.478 11.248 5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.210 11.180 7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.371 8.127 7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.818 9.052 8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.792 7.765 7.948 1.00 0.00 H new ATOM 942 N GLY A 62 6.496 11.714 9.426 1.00 0.00 N ATOM 943 CA GLY A 62 5.314 12.557 9.652 1.00 0.00 C ATOM 944 C GLY A 62 4.004 11.804 9.388 1.00 0.00 C ATOM 945 O GLY A 62 3.475 11.839 8.274 1.00 0.00 O ATOM 0 H GLY A 62 6.361 10.760 9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.321 12.921 10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.365 13.432 9.004 1.00 0.00 H new ATOM 949 N VAL A 63 3.478 11.120 10.410 1.00 0.00 N ATOM 950 CA VAL A 63 2.214 10.353 10.357 1.00 0.00 C ATOM 951 C VAL A 63 0.974 11.263 10.417 1.00 0.00 C ATOM 952 O VAL A 63 0.994 12.307 11.076 1.00 0.00 O ATOM 953 CB VAL A 63 2.204 9.267 11.458 1.00 0.00 C ATOM 954 CG1 VAL A 63 2.200 9.833 12.886 1.00 0.00 C ATOM 955 CG2 VAL A 63 1.025 8.297 11.327 1.00 0.00 C ATOM 0 H VAL A 63 3.927 11.079 11.325 1.00 0.00 H new ATOM 0 HA VAL A 63 2.162 9.852 9.390 1.00 0.00 H new ATOM 0 HB VAL A 63 3.140 8.732 11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.193 9.012 13.603 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.092 10.441 13.039 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.312 10.449 13.031 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.071 7.558 12.127 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.089 8.851 11.398 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.075 7.792 10.363 1.00 0.00 H new ATOM 965 N ALA A 64 -0.115 10.867 9.747 1.00 0.00 N ATOM 966 CA ALA A 64 -1.403 11.570 9.748 1.00 0.00 C ATOM 967 C ALA A 64 -2.594 10.622 9.480 1.00 0.00 C ATOM 968 O ALA A 64 -2.451 9.579 8.838 1.00 0.00 O ATOM 969 CB ALA A 64 -1.353 12.691 8.697 1.00 0.00 C ATOM 0 H ALA A 64 -0.124 10.024 9.173 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.565 11.990 10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.305 13.223 8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.551 13.387 8.945 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.168 12.260 7.713 1.00 0.00 H new ATOM 975 N ASP A 65 -3.796 11.006 9.925 1.00 0.00 N ATOM 976 CA ASP A 65 -5.052 10.415 9.434 1.00 0.00 C ATOM 977 C ASP A 65 -5.305 10.784 7.959 1.00 0.00 C ATOM 978 O ASP A 65 -4.954 11.879 7.505 1.00 0.00 O ATOM 979 CB ASP A 65 -6.240 10.852 10.304 1.00 0.00 C ATOM 980 CG ASP A 65 -6.236 10.191 11.687 1.00 0.00 C ATOM 981 OD1 ASP A 65 -6.290 8.940 11.749 1.00 0.00 O ATOM 982 OD2 ASP A 65 -6.215 10.911 12.713 1.00 0.00 O ATOM 0 H ASP A 65 -3.928 11.730 10.631 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.953 9.332 9.501 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.218 11.935 10.424 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.170 10.607 9.791 1.00 0.00 H new ATOM 987 N GLY A 66 -5.933 9.876 7.209 1.00 0.00 N ATOM 988 CA GLY A 66 -6.205 10.045 5.776 1.00 0.00 C ATOM 989 C GLY A 66 -5.021 9.706 4.859 1.00 0.00 C ATOM 990 O GLY A 66 -5.058 10.044 3.673 1.00 0.00 O ATOM 0 H GLY A 66 -6.272 8.990 7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.052 9.415 5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.504 11.077 5.595 1.00 0.00 H new ATOM 994 N ASP A 67 -3.984 9.030 5.370 1.00 0.00 N ATOM 995 CA ASP A 67 -2.925 8.434 4.540 1.00 0.00 C ATOM 996 C ASP A 67 -3.531 7.483 3.489 1.00 0.00 C ATOM 997 O ASP A 67 -4.412 6.671 3.794 1.00 0.00 O ATOM 998 CB ASP A 67 -1.877 7.714 5.414 1.00 0.00 C ATOM 999 CG ASP A 67 -0.831 8.636 6.073 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -0.633 9.784 5.609 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.136 8.170 7.007 1.00 0.00 O ATOM 0 H ASP A 67 -3.854 8.880 6.370 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.412 9.236 4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.397 7.162 6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.356 6.980 4.799 1.00 0.00 H new ATOM 1006 N LYS A 68 -3.085 7.619 2.234 1.00 0.00 N ATOM 1007 CA LYS A 68 -3.741 7.035 1.054 1.00 0.00 C ATOM 1008 C LYS A 68 -2.763 6.273 0.160 1.00 0.00 C ATOM 1009 O LYS A 68 -1.687 6.772 -0.177 1.00 0.00 O ATOM 1010 CB LYS A 68 -4.547 8.117 0.310 1.00 0.00 C ATOM 1011 CG LYS A 68 -3.685 9.244 -0.294 1.00 0.00 C ATOM 1012 CD LYS A 68 -4.513 10.397 -0.888 1.00 0.00 C ATOM 1013 CE LYS A 68 -4.754 11.574 0.075 1.00 0.00 C ATOM 1014 NZ LYS A 68 -5.698 11.262 1.180 1.00 0.00 N ATOM 0 H LYS A 68 -2.243 8.147 2.004 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.450 6.278 1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.118 7.644 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.268 8.556 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.026 9.641 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.048 8.826 -1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.006 10.770 -1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.478 10.006 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.800 11.883 0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.140 12.422 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.151 12.139 1.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.426 10.603 0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.178 10.826 1.968 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.157 5.060 -0.218 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.315 4.062 -0.877 1.00 0.00 C ATOM 1030 C PHE A 69 -2.988 3.545 -2.152 1.00 0.00 C ATOM 1031 O PHE A 69 -4.161 3.171 -2.125 1.00 0.00 O ATOM 1032 CB PHE A 69 -2.046 2.916 0.112 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.349 3.333 1.398 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -2.102 3.742 2.518 1.00 0.00 C ATOM 1035 CD2 PHE A 69 0.057 3.325 1.473 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -1.454 4.155 3.695 1.00 0.00 C ATOM 1037 CE2 PHE A 69 0.704 3.732 2.654 1.00 0.00 C ATOM 1038 CZ PHE A 69 -0.050 4.153 3.763 1.00 0.00 C ATOM 0 H PHE A 69 -4.111 4.731 -0.068 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.368 4.514 -1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.995 2.444 0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.438 2.161 -0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.181 3.738 2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.640 3.006 0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.035 4.474 4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.783 3.721 2.709 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.448 4.474 4.666 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.255 3.492 -3.266 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.753 2.996 -4.562 1.00 0.00 C ATOM 1050 C VAL A 70 -1.950 1.780 -5.021 1.00 0.00 C ATOM 1051 O VAL A 70 -0.717 1.773 -4.952 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.833 4.125 -5.612 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -1.492 4.809 -5.889 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.383 3.630 -6.956 1.00 0.00 C ATOM 0 H VAL A 70 -1.282 3.796 -3.299 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.779 2.652 -4.434 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.512 4.849 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.630 5.590 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.112 5.251 -4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.778 4.073 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.420 4.460 -7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.733 2.848 -7.349 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.387 3.230 -6.813 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.658 0.741 -5.475 1.00 0.00 N ATOM 1065 CA LEU A 71 -2.071 -0.510 -5.956 1.00 0.00 C ATOM 1066 C LEU A 71 -2.252 -0.626 -7.472 1.00 0.00 C ATOM 1067 O LEU A 71 -3.381 -0.724 -7.958 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.695 -1.703 -5.201 1.00 0.00 C ATOM 1069 CG LEU A 71 -1.701 -2.847 -4.980 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -0.753 -2.520 -3.830 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -2.448 -4.141 -4.651 1.00 0.00 C ATOM 0 H LEU A 71 -3.677 0.748 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.999 -0.517 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.070 -1.361 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.552 -2.075 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.127 -2.976 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.055 -3.345 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.199 -1.611 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.328 -2.370 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.730 -4.946 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.037 -4.001 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.110 -4.399 -5.478 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.147 -0.625 -8.218 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.139 -0.717 -9.683 1.00 0.00 C ATOM 1085 C ILE A 72 -0.694 -2.123 -10.091 1.00 0.00 C ATOM 1086 O ILE A 72 0.498 -2.427 -10.173 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.298 0.420 -10.306 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.794 1.828 -9.895 1.00 0.00 C ATOM 1089 CG2 ILE A 72 -0.250 0.297 -11.841 1.00 0.00 C ATOM 1090 CD1 ILE A 72 -2.238 2.173 -10.290 1.00 0.00 C ATOM 0 H ILE A 72 -0.212 -0.559 -7.815 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.143 -0.571 -10.080 1.00 0.00 H new ATOM 0 HB ILE A 72 0.711 0.306 -9.909 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.701 1.923 -8.813 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.130 2.570 -10.338 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.348 1.110 -12.253 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.198 -0.658 -12.116 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.262 0.352 -12.242 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.477 3.181 -9.952 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.341 2.120 -11.374 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.922 1.463 -9.825 1.00 0.00 H new ATOM 1102 N THR A 73 -1.680 -2.992 -10.309 1.00 0.00 N ATOM 1103 CA THR A 73 -1.521 -4.323 -10.921 1.00 0.00 C ATOM 1104 C THR A 73 -1.410 -4.223 -12.449 1.00 0.00 C ATOM 1105 O THR A 73 -1.952 -3.290 -13.052 1.00 0.00 O ATOM 1106 CB THR A 73 -2.662 -5.250 -10.468 1.00 0.00 C ATOM 1107 OG1 THR A 73 -2.533 -6.543 -11.013 1.00 0.00 O ATOM 1108 CG2 THR A 73 -4.066 -4.768 -10.829 1.00 0.00 C ATOM 0 H THR A 73 -2.647 -2.788 -10.058 1.00 0.00 H new ATOM 0 HA THR A 73 -0.585 -4.763 -10.577 1.00 0.00 H new ATOM 0 HB THR A 73 -2.561 -5.251 -9.383 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.395 -7.006 -10.964 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.802 -5.487 -10.468 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.248 -3.799 -10.365 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.151 -4.674 -11.912 1.00 0.00 H new ATOM 1116 N ARG A 74 -0.720 -5.178 -13.088 1.00 0.00 N ATOM 1117 CA ARG A 74 -0.479 -5.210 -14.542 1.00 0.00 C ATOM 1118 C ARG A 74 -0.798 -6.580 -15.152 1.00 0.00 C ATOM 1119 O ARG A 74 -0.508 -7.620 -14.556 1.00 0.00 O ATOM 1120 CB ARG A 74 0.967 -4.753 -14.817 1.00 0.00 C ATOM 1121 CG ARG A 74 1.101 -4.067 -16.185 1.00 0.00 C ATOM 1122 CD ARG A 74 2.519 -3.514 -16.384 1.00 0.00 C ATOM 1123 NE ARG A 74 2.576 -2.551 -17.504 1.00 0.00 N ATOM 1124 CZ ARG A 74 2.306 -1.257 -17.454 1.00 0.00 C ATOM 1125 NH1 ARG A 74 1.931 -0.662 -16.356 1.00 0.00 N ATOM 1126 NH2 ARG A 74 2.405 -0.520 -18.523 1.00 0.00 N ATOM 0 H ARG A 74 -0.303 -5.970 -12.599 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.161 -4.518 -15.035 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.286 -4.065 -14.033 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.634 -5.614 -14.776 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.869 -4.779 -16.977 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.376 -3.257 -16.263 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.852 -3.027 -15.467 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.207 -4.337 -16.576 1.00 0.00 H new ATOM 0 HE ARG A 74 2.853 -2.924 -18.412 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.836 -1.197 -15.493 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.732 0.338 -16.360 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.692 -0.940 -19.407 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.195 0.477 -18.476 1.00 0.00 H new