USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 458 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 63 ASN : amide:sc= -1.99 K(o=-1.5,f=-7.1!) USER MOD Set 1.2: A 64 THR OG1 : rot 175:sc= 0.477 USER MOD Set 2.1: A 6 ASN : amide:sc= -11.1! C(o=-19!,f=-21!) USER MOD Set 2.2: A 8 HIS : no HD1:sc= -7.43! C(o=-19!,f=-24!) USER MOD Single : A 1 ARG N :NH3+ 162:sc= 0.121 (180deg=-0.299) USER MOD Single : A 4 TYR OH : rot -157:sc= -0.289 USER MOD Single : A 10 THR OG1 : rot 150:sc= -3.33! USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.531 USER MOD Single : A 15 SER OG : rot -121:sc= 0.174 USER MOD Single : A 17 GLN : amide:sc= -5.08! C(o=-5.1!,f=-14!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -154:sc=0.000657 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.398 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0349 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -70:sc= 0.707 USER MOD Single : A 49 ASN : amide:sc= -1.25! C(o=-1.2!,f=-1.2!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.11 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.008 14.242 -2.310 1.00 0.00 N ATOM 2 CA ARG A 1 2.938 13.337 -1.578 1.00 0.00 C ATOM 3 C ARG A 1 2.327 12.935 -0.231 1.00 0.00 C ATOM 4 O ARG A 1 2.445 13.644 0.748 1.00 0.00 O ATOM 5 CB ARG A 1 4.261 14.060 -1.336 1.00 0.00 C ATOM 6 CG ARG A 1 5.333 13.489 -2.264 1.00 0.00 C ATOM 7 CD ARG A 1 6.391 14.559 -2.528 1.00 0.00 C ATOM 8 NE ARG A 1 6.873 14.450 -3.933 1.00 0.00 N ATOM 9 CZ ARG A 1 7.587 15.412 -4.455 1.00 0.00 C ATOM 10 NH1 ARG A 1 8.052 16.367 -3.696 1.00 0.00 N ATOM 11 NH2 ARG A 1 7.834 15.421 -5.736 1.00 0.00 N ATOM 0 H1 ARG A 1 2.529 14.747 -3.055 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.245 13.681 -2.741 1.00 0.00 H new ATOM 0 H3 ARG A 1 1.599 14.930 -1.646 1.00 0.00 H new ATOM 0 HA ARG A 1 3.109 12.441 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.142 15.128 -1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.566 13.944 -0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.792 12.610 -1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.883 13.166 -3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.972 15.550 -2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.225 14.438 -1.837 1.00 0.00 H new ATOM 0 HE ARG A 1 6.646 13.625 -4.488 1.00 0.00 H new ATOM 0 HH11 ARG A 1 7.858 16.363 -2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 1 8.609 17.117 -4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.470 14.677 -6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 1 8.391 16.172 -6.143 1.00 0.00 H new ATOM 27 N GLU A 2 1.678 11.803 -0.171 1.00 0.00 N ATOM 28 CA GLU A 2 1.068 11.361 1.112 1.00 0.00 C ATOM 29 C GLU A 2 1.375 9.880 1.354 1.00 0.00 C ATOM 30 O GLU A 2 0.494 9.088 1.619 1.00 0.00 O ATOM 31 CB GLU A 2 -0.448 11.570 1.052 1.00 0.00 C ATOM 32 CG GLU A 2 -1.015 11.622 2.472 1.00 0.00 C ATOM 33 CD GLU A 2 -1.536 13.030 2.764 1.00 0.00 C ATOM 34 OE1 GLU A 2 -2.641 13.331 2.341 1.00 0.00 O ATOM 35 OE2 GLU A 2 -0.824 13.783 3.407 1.00 0.00 O ATOM 0 H GLU A 2 1.545 11.166 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 2 1.486 11.948 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.677 12.496 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.915 10.760 0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.820 10.895 2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.243 11.352 3.193 1.00 0.00 H new ATOM 42 N CYS A 3 2.623 9.505 1.278 1.00 0.00 N ATOM 43 CA CYS A 3 2.999 8.086 1.516 1.00 0.00 C ATOM 44 C CYS A 3 4.423 8.042 2.071 1.00 0.00 C ATOM 45 O CYS A 3 4.630 7.628 3.192 1.00 0.00 O ATOM 46 CB CYS A 3 2.898 7.293 0.207 1.00 0.00 C ATOM 47 SG CYS A 3 1.276 7.589 -0.548 1.00 0.00 S ATOM 0 H CYS A 3 3.402 10.126 1.060 1.00 0.00 H new ATOM 0 HA CYS A 3 2.319 7.633 2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.691 7.595 -0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.033 6.229 0.401 1.00 0.00 H new ATOM 52 N TYR A 4 5.382 8.504 1.296 1.00 0.00 N ATOM 53 CA TYR A 4 6.829 8.547 1.732 1.00 0.00 C ATOM 54 C TYR A 4 7.056 7.728 2.995 1.00 0.00 C ATOM 55 O TYR A 4 7.525 8.244 3.991 1.00 0.00 O ATOM 56 CB TYR A 4 7.228 9.990 2.047 1.00 0.00 C ATOM 57 CG TYR A 4 5.999 10.810 2.420 1.00 0.00 C ATOM 58 CD1 TYR A 4 5.143 10.366 3.436 1.00 0.00 C ATOM 59 CD2 TYR A 4 5.725 12.010 1.750 1.00 0.00 C ATOM 60 CE1 TYR A 4 4.014 11.118 3.782 1.00 0.00 C ATOM 61 CE2 TYR A 4 4.596 12.764 2.096 1.00 0.00 C ATOM 62 CZ TYR A 4 3.740 12.317 3.111 1.00 0.00 C ATOM 63 OH TYR A 4 2.627 13.059 3.453 1.00 0.00 O ATOM 0 H TYR A 4 5.221 8.863 0.355 1.00 0.00 H new ATOM 0 HA TYR A 4 7.426 8.136 0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 4 7.946 10.005 2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.722 10.435 1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.354 9.442 3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.384 12.354 0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 4 3.355 10.774 4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.386 13.689 1.580 1.00 0.00 H new ATOM 0 HH TYR A 4 2.371 13.631 2.700 1.00 0.00 H new ATOM 73 N LEU A 5 6.712 6.477 2.991 1.00 0.00 N ATOM 74 CA LEU A 5 6.884 5.691 4.216 1.00 0.00 C ATOM 75 C LEU A 5 7.216 4.233 3.912 1.00 0.00 C ATOM 76 O LEU A 5 8.353 3.824 4.020 1.00 0.00 O ATOM 77 CB LEU A 5 5.592 5.779 4.995 1.00 0.00 C ATOM 78 CG LEU A 5 5.516 7.151 5.667 1.00 0.00 C ATOM 79 CD1 LEU A 5 4.098 7.392 6.186 1.00 0.00 C ATOM 80 CD2 LEU A 5 6.501 7.202 6.836 1.00 0.00 C ATOM 0 H LEU A 5 6.322 5.974 2.194 1.00 0.00 H new ATOM 0 HA LEU A 5 7.719 6.091 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.740 5.636 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.548 4.988 5.744 1.00 0.00 H new ATOM 0 HG LEU A 5 5.771 7.923 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.047 8.370 6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.395 7.358 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.840 6.620 6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.447 8.180 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.246 6.428 7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.513 7.034 6.467 1.00 0.00 H new ATOM 92 N ASN A 6 6.214 3.461 3.559 1.00 0.00 N ATOM 93 CA ASN A 6 6.396 2.003 3.250 1.00 0.00 C ATOM 94 C ASN A 6 7.877 1.656 3.027 1.00 0.00 C ATOM 95 O ASN A 6 8.559 2.324 2.277 1.00 0.00 O ATOM 96 CB ASN A 6 5.608 1.679 1.982 1.00 0.00 C ATOM 97 CG ASN A 6 5.391 0.171 1.881 1.00 0.00 C ATOM 98 OD1 ASN A 6 5.001 -0.468 2.837 1.00 0.00 O ATOM 99 ND2 ASN A 6 5.630 -0.428 0.752 1.00 0.00 N ATOM 0 H ASN A 6 5.252 3.789 3.470 1.00 0.00 H new ATOM 0 HA ASN A 6 6.037 1.417 4.096 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.647 2.194 1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.148 2.038 1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.490 -1.435 0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.958 0.109 -0.051 1.00 0.00 H new ATOM 106 N PRO A 7 8.332 0.616 3.683 1.00 0.00 N ATOM 107 CA PRO A 7 9.730 0.169 3.569 1.00 0.00 C ATOM 108 C PRO A 7 9.957 -0.504 2.215 1.00 0.00 C ATOM 109 O PRO A 7 11.064 -0.857 1.862 1.00 0.00 O ATOM 110 CB PRO A 7 9.895 -0.819 4.727 1.00 0.00 C ATOM 111 CG PRO A 7 8.472 -1.298 5.094 1.00 0.00 C ATOM 112 CD PRO A 7 7.504 -0.216 4.581 1.00 0.00 C ATOM 0 HA PRO A 7 10.452 0.983 3.623 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.525 -1.659 4.435 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.377 -0.341 5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.256 -2.262 4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.372 -1.429 6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.660 -0.656 4.050 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.093 0.372 5.402 1.00 0.00 H new ATOM 120 N HIS A 8 8.916 -0.666 1.445 1.00 0.00 N ATOM 121 CA HIS A 8 9.076 -1.293 0.107 1.00 0.00 C ATOM 122 C HIS A 8 9.090 -0.193 -0.952 1.00 0.00 C ATOM 123 O HIS A 8 8.476 -0.313 -1.993 1.00 0.00 O ATOM 124 CB HIS A 8 7.908 -2.237 -0.174 1.00 0.00 C ATOM 125 CG HIS A 8 7.659 -3.143 1.004 1.00 0.00 C ATOM 126 ND1 HIS A 8 6.378 -3.508 1.390 1.00 0.00 N ATOM 127 CD2 HIS A 8 8.508 -3.795 1.863 1.00 0.00 C ATOM 128 CE1 HIS A 8 6.489 -4.348 2.432 1.00 0.00 C ATOM 129 NE2 HIS A 8 7.767 -4.558 2.765 1.00 0.00 N ATOM 0 H HIS A 8 7.964 -0.391 1.686 1.00 0.00 H new ATOM 0 HA HIS A 8 10.007 -1.859 0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.010 -1.658 -0.390 1.00 0.00 H new ATOM 0 HB3 HIS A 8 8.122 -2.835 -1.060 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.586 -3.727 1.843 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.649 -4.799 2.939 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.123 -5.149 3.516 1.00 0.00 H new ATOM 137 N ASP A 9 9.791 0.874 -0.684 1.00 0.00 N ATOM 138 CA ASP A 9 9.871 2.005 -1.658 1.00 0.00 C ATOM 139 C ASP A 9 8.659 2.936 -1.507 1.00 0.00 C ATOM 140 O ASP A 9 8.784 4.140 -1.616 1.00 0.00 O ATOM 141 CB ASP A 9 9.919 1.460 -3.088 1.00 0.00 C ATOM 142 CG ASP A 9 10.834 0.233 -3.136 1.00 0.00 C ATOM 143 OD1 ASP A 9 11.785 0.198 -2.373 1.00 0.00 O ATOM 144 OD2 ASP A 9 10.566 -0.649 -3.935 1.00 0.00 O ATOM 0 H ASP A 9 10.319 1.014 0.178 1.00 0.00 H new ATOM 0 HA ASP A 9 10.779 2.572 -1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.916 1.192 -3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.286 2.228 -3.769 1.00 0.00 H new ATOM 149 N THR A 10 7.485 2.404 -1.273 1.00 0.00 N ATOM 150 CA THR A 10 6.291 3.289 -1.137 1.00 0.00 C ATOM 151 C THR A 10 6.054 3.992 -2.475 1.00 0.00 C ATOM 152 O THR A 10 6.756 3.762 -3.439 1.00 0.00 O ATOM 153 CB THR A 10 6.548 4.342 -0.047 1.00 0.00 C ATOM 154 OG1 THR A 10 7.506 3.840 0.872 1.00 0.00 O ATOM 155 CG2 THR A 10 5.246 4.669 0.700 1.00 0.00 C ATOM 0 H THR A 10 7.304 1.405 -1.171 1.00 0.00 H new ATOM 0 HA THR A 10 5.419 2.697 -0.861 1.00 0.00 H new ATOM 0 HB THR A 10 6.922 5.252 -0.515 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.020 4.585 1.248 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.445 5.416 1.468 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.511 5.059 -0.004 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.857 3.764 1.166 1.00 0.00 H new ATOM 163 N GLN A 11 5.080 4.853 -2.540 1.00 0.00 N ATOM 164 CA GLN A 11 4.811 5.575 -3.809 1.00 0.00 C ATOM 165 C GLN A 11 3.966 6.815 -3.515 1.00 0.00 C ATOM 166 O GLN A 11 2.762 6.815 -3.678 1.00 0.00 O ATOM 167 CB GLN A 11 4.075 4.658 -4.788 1.00 0.00 C ATOM 168 CG GLN A 11 3.514 5.487 -5.945 1.00 0.00 C ATOM 169 CD GLN A 11 4.036 4.933 -7.271 1.00 0.00 C ATOM 170 OE1 GLN A 11 3.288 4.367 -8.043 1.00 0.00 O ATOM 171 NE2 GLN A 11 5.298 5.073 -7.571 1.00 0.00 N ATOM 0 H GLN A 11 4.458 5.088 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 11 5.755 5.879 -4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.755 3.896 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.267 4.136 -4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.424 5.459 -5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.808 6.531 -5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.927 5.548 -6.923 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.656 4.707 -8.453 1.00 0.00 H new ATOM 180 N THR A 12 4.596 7.866 -3.072 1.00 0.00 N ATOM 181 CA THR A 12 3.860 9.113 -2.748 1.00 0.00 C ATOM 182 C THR A 12 2.777 9.389 -3.797 1.00 0.00 C ATOM 183 O THR A 12 2.766 8.816 -4.868 1.00 0.00 O ATOM 184 CB THR A 12 4.846 10.282 -2.714 1.00 0.00 C ATOM 185 OG1 THR A 12 5.209 10.633 -4.043 1.00 0.00 O ATOM 186 CG2 THR A 12 6.096 9.874 -1.932 1.00 0.00 C ATOM 0 H THR A 12 5.603 7.912 -2.919 1.00 0.00 H new ATOM 0 HA THR A 12 3.381 8.998 -1.776 1.00 0.00 H new ATOM 0 HB THR A 12 4.379 11.138 -2.227 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.839 11.383 -4.023 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.798 10.707 -1.908 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.816 9.606 -0.913 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.565 9.018 -2.417 1.00 0.00 H new ATOM 194 N CYS A 13 1.873 10.278 -3.487 1.00 0.00 N ATOM 195 CA CYS A 13 0.781 10.627 -4.438 1.00 0.00 C ATOM 196 C CYS A 13 0.827 12.130 -4.733 1.00 0.00 C ATOM 197 O CYS A 13 -0.005 12.874 -4.253 1.00 0.00 O ATOM 198 CB CYS A 13 -0.573 10.298 -3.802 1.00 0.00 C ATOM 199 SG CYS A 13 -1.900 10.911 -4.875 1.00 0.00 S ATOM 0 H CYS A 13 1.845 10.784 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 13 0.910 10.058 -5.359 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.670 9.221 -3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.646 10.756 -2.816 1.00 0.00 H new ATOM 204 N PRO A 14 1.797 12.536 -5.510 1.00 0.00 N ATOM 205 CA PRO A 14 1.973 13.951 -5.881 1.00 0.00 C ATOM 206 C PRO A 14 1.013 14.347 -7.013 1.00 0.00 C ATOM 207 O PRO A 14 1.354 15.131 -7.876 1.00 0.00 O ATOM 208 CB PRO A 14 3.424 14.013 -6.366 1.00 0.00 C ATOM 209 CG PRO A 14 3.804 12.573 -6.787 1.00 0.00 C ATOM 210 CD PRO A 14 2.810 11.629 -6.086 1.00 0.00 C ATOM 0 HA PRO A 14 1.764 14.632 -5.056 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.524 14.702 -7.204 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.083 14.374 -5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.748 12.459 -7.870 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.828 12.342 -6.495 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.363 10.927 -6.790 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.300 11.037 -5.313 1.00 0.00 H new ATOM 218 N SER A 15 -0.182 13.815 -7.022 1.00 0.00 N ATOM 219 CA SER A 15 -1.146 14.170 -8.102 1.00 0.00 C ATOM 220 C SER A 15 -2.327 14.937 -7.504 1.00 0.00 C ATOM 221 O SER A 15 -2.259 15.441 -6.401 1.00 0.00 O ATOM 222 CB SER A 15 -1.654 12.892 -8.771 1.00 0.00 C ATOM 223 OG SER A 15 -2.186 13.212 -10.050 1.00 0.00 O ATOM 0 H SER A 15 -0.530 13.152 -6.329 1.00 0.00 H new ATOM 0 HA SER A 15 -0.647 14.795 -8.842 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.841 12.173 -8.872 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.420 12.423 -8.153 1.00 0.00 H new ATOM 0 HG SER A 15 -3.126 12.939 -10.091 1.00 0.00 H new ATOM 229 N GLY A 16 -3.412 15.029 -8.226 1.00 0.00 N ATOM 230 CA GLY A 16 -4.599 15.763 -7.703 1.00 0.00 C ATOM 231 C GLY A 16 -5.177 15.018 -6.498 1.00 0.00 C ATOM 232 O GLY A 16 -5.715 15.615 -5.587 1.00 0.00 O ATOM 0 H GLY A 16 -3.527 14.627 -9.156 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.315 16.775 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.355 15.854 -8.483 1.00 0.00 H new ATOM 236 N GLN A 17 -5.068 13.718 -6.483 1.00 0.00 N ATOM 237 CA GLN A 17 -5.609 12.938 -5.335 1.00 0.00 C ATOM 238 C GLN A 17 -4.752 13.205 -4.095 1.00 0.00 C ATOM 239 O GLN A 17 -3.704 13.813 -4.175 1.00 0.00 O ATOM 240 CB GLN A 17 -5.578 11.448 -5.671 1.00 0.00 C ATOM 241 CG GLN A 17 -6.179 11.224 -7.060 1.00 0.00 C ATOM 242 CD GLN A 17 -7.555 10.571 -6.920 1.00 0.00 C ATOM 243 OE1 GLN A 17 -7.814 9.874 -5.960 1.00 0.00 O ATOM 244 NE2 GLN A 17 -8.455 10.766 -7.846 1.00 0.00 N ATOM 0 H GLN A 17 -4.628 13.162 -7.216 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.638 13.240 -5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.552 11.080 -5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.139 10.885 -4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.267 12.174 -7.587 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.522 10.589 -7.654 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.238 11.351 -8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.375 10.333 -7.763 1.00 0.00 H new ATOM 253 N GLU A 18 -5.189 12.761 -2.948 1.00 0.00 N ATOM 254 CA GLU A 18 -4.391 13.002 -1.712 1.00 0.00 C ATOM 255 C GLU A 18 -4.485 11.792 -0.779 1.00 0.00 C ATOM 256 O GLU A 18 -4.181 11.882 0.394 1.00 0.00 O ATOM 257 CB GLU A 18 -4.935 14.239 -0.993 1.00 0.00 C ATOM 258 CG GLU A 18 -6.413 14.026 -0.659 1.00 0.00 C ATOM 259 CD GLU A 18 -6.580 13.884 0.855 1.00 0.00 C ATOM 260 OE1 GLU A 18 -5.752 13.227 1.463 1.00 0.00 O ATOM 261 OE2 GLU A 18 -7.532 14.436 1.380 1.00 0.00 O ATOM 0 H GLU A 18 -6.058 12.245 -2.813 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.348 13.160 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.368 14.421 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.817 15.120 -1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.004 14.867 -1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.785 13.133 -1.162 1.00 0.00 H new ATOM 268 N ILE A 19 -4.901 10.660 -1.279 1.00 0.00 N ATOM 269 CA ILE A 19 -5.003 9.465 -0.402 1.00 0.00 C ATOM 270 C ILE A 19 -3.908 8.480 -0.767 1.00 0.00 C ATOM 271 O ILE A 19 -3.341 8.519 -1.840 1.00 0.00 O ATOM 272 CB ILE A 19 -6.366 8.809 -0.598 1.00 0.00 C ATOM 273 CG1 ILE A 19 -7.450 9.911 -0.607 1.00 0.00 C ATOM 274 CG2 ILE A 19 -6.610 7.789 0.524 1.00 0.00 C ATOM 275 CD1 ILE A 19 -8.391 9.789 0.602 1.00 0.00 C ATOM 0 H ILE A 19 -5.173 10.514 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.891 9.764 0.640 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.403 8.276 -1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.973 10.891 -0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.029 9.845 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.584 7.320 0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.833 7.026 0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.587 8.296 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.140 10.580 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.887 8.819 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.815 9.881 1.522 1.00 0.00 H new ATOM 287 N CYS A 20 -3.611 7.595 0.127 1.00 0.00 N ATOM 288 CA CYS A 20 -2.554 6.587 -0.141 1.00 0.00 C ATOM 289 C CYS A 20 -3.118 5.195 0.132 1.00 0.00 C ATOM 290 O CYS A 20 -3.656 4.927 1.186 1.00 0.00 O ATOM 291 CB CYS A 20 -1.351 6.847 0.775 1.00 0.00 C ATOM 292 SG CYS A 20 0.126 6.052 0.088 1.00 0.00 S ATOM 0 H CYS A 20 -4.056 7.522 1.042 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.231 6.656 -1.180 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.184 7.919 0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.552 6.460 1.774 1.00 0.00 H new ATOM 297 N TYR A 21 -2.999 4.298 -0.801 1.00 0.00 N ATOM 298 CA TYR A 21 -3.528 2.933 -0.559 1.00 0.00 C ATOM 299 C TYR A 21 -2.358 2.031 -0.186 1.00 0.00 C ATOM 300 O TYR A 21 -1.228 2.280 -0.559 1.00 0.00 O ATOM 301 CB TYR A 21 -4.229 2.403 -1.818 1.00 0.00 C ATOM 302 CG TYR A 21 -3.205 1.897 -2.803 1.00 0.00 C ATOM 303 CD1 TYR A 21 -2.593 0.651 -2.604 1.00 0.00 C ATOM 304 CD2 TYR A 21 -2.858 2.678 -3.914 1.00 0.00 C ATOM 305 CE1 TYR A 21 -1.636 0.188 -3.514 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.900 2.214 -4.823 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.289 0.969 -4.622 1.00 0.00 C ATOM 308 OH TYR A 21 -0.346 0.512 -5.520 1.00 0.00 O ATOM 0 H TYR A 21 -2.563 4.448 -1.711 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.259 2.952 0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.917 1.601 -1.551 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.824 3.194 -2.274 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.860 0.049 -1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.330 3.637 -4.069 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.165 -0.772 -3.361 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.632 2.815 -5.679 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.223 1.175 -6.231 1.00 0.00 H new ATOM 318 N VAL A 22 -2.611 0.989 0.542 1.00 0.00 N ATOM 319 CA VAL A 22 -1.500 0.088 0.930 1.00 0.00 C ATOM 320 C VAL A 22 -1.808 -1.327 0.437 1.00 0.00 C ATOM 321 O VAL A 22 -2.581 -2.054 1.028 1.00 0.00 O ATOM 322 CB VAL A 22 -1.340 0.108 2.455 1.00 0.00 C ATOM 323 CG1 VAL A 22 -1.259 1.561 2.942 1.00 0.00 C ATOM 324 CG2 VAL A 22 -2.540 -0.575 3.106 1.00 0.00 C ATOM 0 H VAL A 22 -3.534 0.722 0.885 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.567 0.423 0.478 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.427 -0.422 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.145 1.576 4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.402 2.052 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.172 2.089 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.424 -0.559 4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.453 -0.046 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.601 -1.608 2.762 1.00 0.00 H new ATOM 334 N LYS A 23 -1.208 -1.724 -0.655 1.00 0.00 N ATOM 335 CA LYS A 23 -1.468 -3.086 -1.191 1.00 0.00 C ATOM 336 C LYS A 23 -0.336 -4.009 -0.752 1.00 0.00 C ATOM 337 O LYS A 23 0.823 -3.747 -1.003 1.00 0.00 O ATOM 338 CB LYS A 23 -1.538 -3.034 -2.718 1.00 0.00 C ATOM 339 CG LYS A 23 -2.058 -4.369 -3.250 1.00 0.00 C ATOM 340 CD LYS A 23 -1.905 -4.409 -4.772 1.00 0.00 C ATOM 341 CE LYS A 23 -1.965 -5.859 -5.255 1.00 0.00 C ATOM 342 NZ LYS A 23 -1.350 -5.961 -6.609 1.00 0.00 N ATOM 0 H LYS A 23 -0.551 -1.162 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.417 -3.462 -0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.194 -2.224 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.551 -2.825 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.506 -5.192 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.105 -4.498 -2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.696 -3.825 -5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.958 -3.956 -5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.438 -6.508 -4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.000 -6.199 -5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.756 -6.774 -7.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.542 -5.090 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.322 -6.090 -6.515 1.00 0.00 H new ATOM 356 N SER A 24 -0.656 -5.075 -0.074 1.00 0.00 N ATOM 357 CA SER A 24 0.413 -5.988 0.401 1.00 0.00 C ATOM 358 C SER A 24 0.042 -7.449 0.138 1.00 0.00 C ATOM 359 O SER A 24 -0.890 -7.979 0.714 1.00 0.00 O ATOM 360 CB SER A 24 0.608 -5.785 1.904 1.00 0.00 C ATOM 361 OG SER A 24 1.447 -4.658 2.121 1.00 0.00 O ATOM 0 H SER A 24 -1.607 -5.351 0.170 1.00 0.00 H new ATOM 0 HA SER A 24 1.332 -5.760 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.356 -5.634 2.390 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.053 -6.675 2.348 1.00 0.00 H new ATOM 0 HG SER A 24 1.573 -4.524 3.084 1.00 0.00 H new ATOM 367 N TRP A 25 0.774 -8.109 -0.718 1.00 0.00 N ATOM 368 CA TRP A 25 0.480 -9.547 -0.995 1.00 0.00 C ATOM 369 C TRP A 25 1.787 -10.348 -0.997 1.00 0.00 C ATOM 370 O TRP A 25 2.816 -9.883 -1.446 1.00 0.00 O ATOM 371 CB TRP A 25 -0.209 -9.688 -2.347 1.00 0.00 C ATOM 372 CG TRP A 25 0.642 -9.088 -3.403 1.00 0.00 C ATOM 373 CD1 TRP A 25 1.368 -9.758 -4.322 1.00 0.00 C ATOM 374 CD2 TRP A 25 0.860 -7.691 -3.646 1.00 0.00 C ATOM 375 NE1 TRP A 25 2.000 -8.837 -5.144 1.00 0.00 N ATOM 376 CE2 TRP A 25 1.716 -7.543 -4.758 1.00 0.00 C ATOM 377 CE3 TRP A 25 0.385 -6.553 -3.005 1.00 0.00 C ATOM 378 CZ2 TRP A 25 2.087 -6.278 -5.220 1.00 0.00 C ATOM 379 CZ3 TRP A 25 0.750 -5.294 -3.449 1.00 0.00 C ATOM 380 CH2 TRP A 25 1.601 -5.142 -4.558 1.00 0.00 C ATOM 0 H TRP A 25 1.560 -7.718 -1.237 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.180 -9.931 -0.218 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -0.391 -10.740 -2.566 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.181 -9.195 -2.325 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.444 -10.832 -4.404 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.598 -9.084 -5.933 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.273 -6.652 -2.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.739 -6.177 -6.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 0.377 -4.419 -2.938 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.879 -4.155 -4.898 1.00 0.00 H new ATOM 391 N CYS A 26 1.746 -11.549 -0.489 1.00 0.00 N ATOM 392 CA CYS A 26 2.972 -12.398 -0.436 1.00 0.00 C ATOM 393 C CYS A 26 2.627 -13.784 -1.010 1.00 0.00 C ATOM 394 O CYS A 26 1.470 -14.111 -1.191 1.00 0.00 O ATOM 395 CB CYS A 26 3.411 -12.513 1.030 1.00 0.00 C ATOM 396 SG CYS A 26 4.641 -13.822 1.228 1.00 0.00 S ATOM 0 H CYS A 26 0.907 -11.984 -0.104 1.00 0.00 H new ATOM 0 HA CYS A 26 3.783 -11.964 -1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.827 -11.563 1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.545 -12.722 1.659 1.00 0.00 H new ATOM 401 N ASN A 27 3.607 -14.595 -1.316 1.00 0.00 N ATOM 402 CA ASN A 27 3.307 -15.941 -1.897 1.00 0.00 C ATOM 403 C ASN A 27 3.462 -17.021 -0.825 1.00 0.00 C ATOM 404 O ASN A 27 3.664 -18.182 -1.115 1.00 0.00 O ATOM 405 CB ASN A 27 4.295 -16.224 -3.020 1.00 0.00 C ATOM 406 CG ASN A 27 3.594 -16.088 -4.372 1.00 0.00 C ATOM 407 OD1 ASN A 27 2.661 -16.810 -4.662 1.00 0.00 O ATOM 408 ND2 ASN A 27 4.008 -15.186 -5.220 1.00 0.00 N ATOM 0 H ASN A 27 4.597 -14.386 -1.190 1.00 0.00 H new ATOM 0 HA ASN A 27 2.285 -15.949 -2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.133 -15.530 -2.963 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.705 -17.228 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.548 -15.088 -6.125 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.791 -14.579 -4.977 1.00 0.00 H new ATOM 415 N ALA A 28 3.362 -16.634 0.408 1.00 0.00 N ATOM 416 CA ALA A 28 3.490 -17.607 1.533 1.00 0.00 C ATOM 417 C ALA A 28 4.953 -17.976 1.761 1.00 0.00 C ATOM 418 O ALA A 28 5.286 -18.694 2.681 1.00 0.00 O ATOM 419 CB ALA A 28 2.679 -18.868 1.223 1.00 0.00 C ATOM 0 H ALA A 28 3.194 -15.670 0.695 1.00 0.00 H new ATOM 0 HA ALA A 28 3.104 -17.142 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.776 -19.575 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.630 -18.603 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.053 -19.325 0.307 1.00 0.00 H new ATOM 425 N TRP A 29 5.825 -17.504 0.926 1.00 0.00 N ATOM 426 CA TRP A 29 7.263 -17.840 1.084 1.00 0.00 C ATOM 427 C TRP A 29 8.135 -16.609 0.805 1.00 0.00 C ATOM 428 O TRP A 29 9.313 -16.727 0.532 1.00 0.00 O ATOM 429 CB TRP A 29 7.618 -18.938 0.097 1.00 0.00 C ATOM 430 CG TRP A 29 6.838 -20.168 0.406 1.00 0.00 C ATOM 431 CD1 TRP A 29 5.491 -20.307 0.346 1.00 0.00 C ATOM 432 CD2 TRP A 29 7.362 -21.443 0.820 1.00 0.00 C ATOM 433 NE1 TRP A 29 5.166 -21.606 0.708 1.00 0.00 N ATOM 434 CE2 TRP A 29 6.295 -22.345 1.008 1.00 0.00 C ATOM 435 CE3 TRP A 29 8.663 -21.880 1.044 1.00 0.00 C ATOM 436 CZ2 TRP A 29 6.524 -23.663 1.413 1.00 0.00 C ATOM 437 CZ3 TRP A 29 8.911 -23.201 1.452 1.00 0.00 C ATOM 438 CH2 TRP A 29 7.840 -24.094 1.636 1.00 0.00 C ATOM 0 H TRP A 29 5.605 -16.897 0.136 1.00 0.00 H new ATOM 0 HA TRP A 29 7.444 -18.173 2.106 1.00 0.00 H new ATOM 0 HB2 TRP A 29 7.405 -18.608 -0.920 1.00 0.00 H new ATOM 0 HB3 TRP A 29 8.686 -19.152 0.146 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.789 -19.536 0.064 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.214 -21.970 0.748 1.00 0.00 H new ATOM 0 HE3 TRP A 29 9.489 -21.199 0.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.696 -24.342 1.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.925 -23.531 1.625 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.031 -25.110 1.949 1.00 0.00 H new ATOM 449 N CYS A 30 7.568 -15.433 0.860 1.00 0.00 N ATOM 450 CA CYS A 30 8.359 -14.193 0.594 1.00 0.00 C ATOM 451 C CYS A 30 9.269 -13.832 1.774 1.00 0.00 C ATOM 452 O CYS A 30 9.516 -12.671 2.015 1.00 0.00 O ATOM 453 CB CYS A 30 7.408 -13.034 0.350 1.00 0.00 C ATOM 454 SG CYS A 30 6.317 -12.847 1.778 1.00 0.00 S ATOM 0 H CYS A 30 6.584 -15.276 1.079 1.00 0.00 H new ATOM 0 HA CYS A 30 8.983 -14.381 -0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.971 -12.115 0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.820 -13.214 -0.550 1.00 0.00 H new ATOM 459 N SER A 31 9.764 -14.786 2.510 1.00 0.00 N ATOM 460 CA SER A 31 10.650 -14.448 3.664 1.00 0.00 C ATOM 461 C SER A 31 11.717 -13.454 3.200 1.00 0.00 C ATOM 462 O SER A 31 12.774 -13.838 2.741 1.00 0.00 O ATOM 463 CB SER A 31 11.327 -15.719 4.181 1.00 0.00 C ATOM 464 OG SER A 31 12.472 -15.363 4.944 1.00 0.00 O ATOM 0 H SER A 31 9.596 -15.782 2.366 1.00 0.00 H new ATOM 0 HA SER A 31 10.057 -14.006 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.631 -16.292 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.616 -16.357 3.346 1.00 0.00 H new ATOM 0 HG SER A 31 12.908 -16.175 5.278 1.00 0.00 H new ATOM 470 N SER A 32 11.432 -12.180 3.302 1.00 0.00 N ATOM 471 CA SER A 32 12.402 -11.140 2.852 1.00 0.00 C ATOM 472 C SER A 32 13.122 -11.617 1.603 1.00 0.00 C ATOM 473 O SER A 32 14.291 -11.947 1.617 1.00 0.00 O ATOM 474 CB SER A 32 13.419 -10.858 3.940 1.00 0.00 C ATOM 475 OG SER A 32 12.798 -10.980 5.214 1.00 0.00 O ATOM 0 H SER A 32 10.559 -11.814 3.682 1.00 0.00 H new ATOM 0 HA SER A 32 11.853 -10.224 2.633 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.253 -11.555 3.862 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.829 -9.855 3.818 1.00 0.00 H new ATOM 0 HG SER A 32 13.456 -10.799 5.917 1.00 0.00 H new ATOM 481 N ARG A 33 12.415 -11.651 0.529 1.00 0.00 N ATOM 482 CA ARG A 33 13.015 -12.104 -0.758 1.00 0.00 C ATOM 483 C ARG A 33 12.393 -11.329 -1.920 1.00 0.00 C ATOM 484 O ARG A 33 13.028 -10.494 -2.534 1.00 0.00 O ATOM 485 CB ARG A 33 12.756 -13.601 -0.946 1.00 0.00 C ATOM 486 CG ARG A 33 13.877 -14.210 -1.791 1.00 0.00 C ATOM 487 CD ARG A 33 13.330 -15.388 -2.599 1.00 0.00 C ATOM 488 NE ARG A 33 14.161 -15.584 -3.820 1.00 0.00 N ATOM 489 CZ ARG A 33 14.424 -14.571 -4.601 1.00 0.00 C ATOM 490 NH1 ARG A 33 13.454 -13.813 -5.036 1.00 0.00 N ATOM 491 NH2 ARG A 33 15.656 -14.317 -4.946 1.00 0.00 N ATOM 0 H ARG A 33 11.432 -11.383 0.475 1.00 0.00 H new ATOM 0 HA ARG A 33 14.089 -11.921 -0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.706 -14.097 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.793 -13.756 -1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.290 -13.457 -2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.691 -14.544 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.338 -16.293 -1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.293 -15.200 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 33 14.525 -16.510 -4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.491 -14.012 -4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.659 -13.022 -5.646 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.413 -14.909 -4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.862 -13.526 -5.556 1.00 0.00 H new ATOM 505 N GLY A 34 11.156 -11.608 -2.235 1.00 0.00 N ATOM 506 CA GLY A 34 10.498 -10.894 -3.364 1.00 0.00 C ATOM 507 C GLY A 34 9.164 -10.301 -2.907 1.00 0.00 C ATOM 508 O GLY A 34 8.281 -10.059 -3.707 1.00 0.00 O ATOM 0 H GLY A 34 10.575 -12.298 -1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.150 -10.102 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.334 -11.582 -4.193 1.00 0.00 H new ATOM 512 N LYS A 35 9.008 -10.054 -1.632 1.00 0.00 N ATOM 513 CA LYS A 35 7.727 -9.464 -1.146 1.00 0.00 C ATOM 514 C LYS A 35 7.327 -8.326 -2.083 1.00 0.00 C ATOM 515 O LYS A 35 8.064 -7.378 -2.269 1.00 0.00 O ATOM 516 CB LYS A 35 7.920 -8.905 0.268 1.00 0.00 C ATOM 517 CG LYS A 35 8.252 -10.042 1.235 1.00 0.00 C ATOM 518 CD LYS A 35 8.802 -9.460 2.540 1.00 0.00 C ATOM 519 CE LYS A 35 8.301 -10.290 3.723 1.00 0.00 C ATOM 520 NZ LYS A 35 7.417 -9.451 4.579 1.00 0.00 N ATOM 0 H LYS A 35 9.707 -10.234 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 35 6.952 -10.230 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.723 -8.167 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.015 -8.392 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.359 -10.634 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.985 -10.713 0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.892 -9.459 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.485 -8.423 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.756 -11.163 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.145 -10.659 4.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.076 -10.015 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.952 -8.632 4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.605 -9.120 4.020 1.00 0.00 H new ATOM 534 N VAL A 36 6.174 -8.409 -2.677 1.00 0.00 N ATOM 535 CA VAL A 36 5.740 -7.327 -3.604 1.00 0.00 C ATOM 536 C VAL A 36 4.729 -6.443 -2.876 1.00 0.00 C ATOM 537 O VAL A 36 3.564 -6.420 -3.197 1.00 0.00 O ATOM 538 CB VAL A 36 5.087 -7.934 -4.854 1.00 0.00 C ATOM 539 CG1 VAL A 36 5.586 -7.199 -6.099 1.00 0.00 C ATOM 540 CG2 VAL A 36 5.447 -9.420 -4.968 1.00 0.00 C ATOM 0 H VAL A 36 5.512 -9.177 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 36 6.603 -6.738 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 36 4.005 -7.832 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.122 -7.630 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.323 -6.144 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.669 -7.299 -6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.979 -9.841 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.529 -9.528 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.089 -9.950 -4.085 1.00 0.00 H new ATOM 550 N LEU A 37 5.163 -5.744 -1.869 1.00 0.00 N ATOM 551 CA LEU A 37 4.235 -4.893 -1.094 1.00 0.00 C ATOM 552 C LEU A 37 4.526 -3.413 -1.359 1.00 0.00 C ATOM 553 O LEU A 37 5.587 -2.923 -1.051 1.00 0.00 O ATOM 554 CB LEU A 37 4.473 -5.196 0.383 1.00 0.00 C ATOM 555 CG LEU A 37 3.721 -6.464 0.797 1.00 0.00 C ATOM 556 CD1 LEU A 37 3.691 -7.481 -0.352 1.00 0.00 C ATOM 557 CD2 LEU A 37 4.411 -7.092 2.005 1.00 0.00 C ATOM 0 H LEU A 37 6.132 -5.728 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 37 3.203 -5.097 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.540 -5.322 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.142 -4.354 0.991 1.00 0.00 H new ATOM 0 HG LEU A 37 2.696 -6.191 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.152 -8.373 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.189 -7.041 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.711 -7.752 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.877 -7.995 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.438 -7.347 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.412 -6.383 2.833 1.00 0.00 H new ATOM 569 N GLU A 38 3.593 -2.691 -1.922 1.00 0.00 N ATOM 570 CA GLU A 38 3.843 -1.242 -2.174 1.00 0.00 C ATOM 571 C GLU A 38 2.566 -0.433 -1.937 1.00 0.00 C ATOM 572 O GLU A 38 1.472 -0.871 -2.238 1.00 0.00 O ATOM 573 CB GLU A 38 4.316 -1.027 -3.612 1.00 0.00 C ATOM 574 CG GLU A 38 3.614 -2.018 -4.542 1.00 0.00 C ATOM 575 CD GLU A 38 4.637 -3.007 -5.102 1.00 0.00 C ATOM 576 OE1 GLU A 38 5.653 -3.209 -4.456 1.00 0.00 O ATOM 577 OE2 GLU A 38 4.389 -3.547 -6.167 1.00 0.00 O ATOM 0 H GLU A 38 2.679 -3.037 -2.215 1.00 0.00 H new ATOM 0 HA GLU A 38 4.617 -0.905 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.102 -0.005 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.396 -1.160 -3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.835 -2.553 -3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.125 -1.484 -5.357 1.00 0.00 H new ATOM 584 N PHE A 39 2.704 0.757 -1.418 1.00 0.00 N ATOM 585 CA PHE A 39 1.517 1.613 -1.186 1.00 0.00 C ATOM 586 C PHE A 39 1.525 2.706 -2.256 1.00 0.00 C ATOM 587 O PHE A 39 2.539 3.325 -2.505 1.00 0.00 O ATOM 588 CB PHE A 39 1.587 2.222 0.219 1.00 0.00 C ATOM 589 CG PHE A 39 1.874 1.127 1.227 1.00 0.00 C ATOM 590 CD1 PHE A 39 1.610 -0.214 0.904 1.00 0.00 C ATOM 591 CD2 PHE A 39 2.408 1.449 2.483 1.00 0.00 C ATOM 592 CE1 PHE A 39 1.880 -1.227 1.832 1.00 0.00 C ATOM 593 CE2 PHE A 39 2.679 0.432 3.411 1.00 0.00 C ATOM 594 CZ PHE A 39 2.415 -0.907 3.085 1.00 0.00 C ATOM 0 H PHE A 39 3.595 1.171 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 39 0.595 1.035 -1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.367 2.983 0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.646 2.717 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.198 -0.464 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.611 2.479 2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.675 -2.257 1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.091 0.680 4.378 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.624 -1.689 3.800 1.00 0.00 H new ATOM 604 N GLY A 40 0.425 2.923 -2.924 1.00 0.00 N ATOM 605 CA GLY A 40 0.423 3.947 -4.008 1.00 0.00 C ATOM 606 C GLY A 40 -0.492 5.121 -3.667 1.00 0.00 C ATOM 607 O GLY A 40 -0.665 5.487 -2.522 1.00 0.00 O ATOM 0 H GLY A 40 -0.462 2.443 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.438 4.310 -4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.097 3.489 -4.942 1.00 0.00 H new ATOM 611 N CYS A 41 -1.070 5.718 -4.676 1.00 0.00 N ATOM 612 CA CYS A 41 -1.965 6.875 -4.464 1.00 0.00 C ATOM 613 C CYS A 41 -3.402 6.424 -4.666 1.00 0.00 C ATOM 614 O CYS A 41 -3.669 5.386 -5.239 1.00 0.00 O ATOM 615 CB CYS A 41 -1.617 7.959 -5.485 1.00 0.00 C ATOM 616 SG CYS A 41 -2.879 9.254 -5.491 1.00 0.00 S ATOM 0 H CYS A 41 -0.953 5.442 -5.651 1.00 0.00 H new ATOM 0 HA CYS A 41 -1.845 7.271 -3.456 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.645 8.392 -5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.536 7.518 -6.479 1.00 0.00 H new ATOM 621 N ALA A 42 -4.325 7.194 -4.198 1.00 0.00 N ATOM 622 CA ALA A 42 -5.754 6.809 -4.358 1.00 0.00 C ATOM 623 C ALA A 42 -6.672 7.935 -3.888 1.00 0.00 C ATOM 624 O ALA A 42 -6.236 9.000 -3.494 1.00 0.00 O ATOM 625 CB ALA A 42 -6.035 5.552 -3.532 1.00 0.00 C ATOM 0 H ALA A 42 -4.161 8.075 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.947 6.616 -5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.081 5.267 -3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.397 4.739 -3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.827 5.753 -2.481 1.00 0.00 H new ATOM 631 N ALA A 43 -7.947 7.687 -3.937 1.00 0.00 N ATOM 632 CA ALA A 43 -8.946 8.696 -3.507 1.00 0.00 C ATOM 633 C ALA A 43 -9.661 8.196 -2.246 1.00 0.00 C ATOM 634 O ALA A 43 -9.883 8.937 -1.309 1.00 0.00 O ATOM 635 CB ALA A 43 -9.970 8.897 -4.623 1.00 0.00 C ATOM 0 H ALA A 43 -8.347 6.807 -4.264 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.446 9.641 -3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.707 9.638 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.463 9.245 -5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.472 7.952 -4.831 1.00 0.00 H new ATOM 641 N THR A 44 -10.023 6.940 -2.214 1.00 0.00 N ATOM 642 CA THR A 44 -10.716 6.396 -1.016 1.00 0.00 C ATOM 643 C THR A 44 -10.255 4.955 -0.773 1.00 0.00 C ATOM 644 O THR A 44 -9.888 4.246 -1.688 1.00 0.00 O ATOM 645 CB THR A 44 -12.230 6.419 -1.243 1.00 0.00 C ATOM 646 OG1 THR A 44 -12.893 6.103 -0.027 1.00 0.00 O ATOM 647 CG2 THR A 44 -12.604 5.390 -2.310 1.00 0.00 C ATOM 0 H THR A 44 -9.867 6.270 -2.967 1.00 0.00 H new ATOM 0 HA THR A 44 -10.473 7.007 -0.147 1.00 0.00 H new ATOM 0 HB THR A 44 -12.532 7.412 -1.577 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.862 6.119 -0.169 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.682 5.408 -2.470 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.094 5.631 -3.243 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.303 4.396 -1.979 1.00 0.00 H new ATOM 655 N CYS A 45 -10.264 4.530 0.460 1.00 0.00 N ATOM 656 CA CYS A 45 -9.829 3.162 0.801 1.00 0.00 C ATOM 657 C CYS A 45 -10.308 2.163 -0.267 1.00 0.00 C ATOM 658 O CYS A 45 -11.490 2.087 -0.539 1.00 0.00 O ATOM 659 CB CYS A 45 -10.442 2.802 2.151 1.00 0.00 C ATOM 660 SG CYS A 45 -9.629 1.335 2.826 1.00 0.00 S ATOM 0 H CYS A 45 -10.563 5.092 1.257 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.741 3.117 0.845 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.336 3.638 2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.510 2.616 2.037 1.00 0.00 H new ATOM 665 N PRO A 46 -9.387 1.417 -0.846 1.00 0.00 N ATOM 666 CA PRO A 46 -9.720 0.422 -1.878 1.00 0.00 C ATOM 667 C PRO A 46 -10.150 -0.893 -1.224 1.00 0.00 C ATOM 668 O PRO A 46 -9.729 -1.221 -0.132 1.00 0.00 O ATOM 669 CB PRO A 46 -8.407 0.253 -2.647 1.00 0.00 C ATOM 670 CG PRO A 46 -7.275 0.718 -1.699 1.00 0.00 C ATOM 671 CD PRO A 46 -7.941 1.489 -0.544 1.00 0.00 C ATOM 0 HA PRO A 46 -10.546 0.724 -2.522 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.262 -0.786 -2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.415 0.846 -3.561 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.715 -0.137 -1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.566 1.354 -2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.713 1.036 0.421 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.594 2.521 -0.502 1.00 0.00 H new ATOM 679 N SER A 47 -10.990 -1.650 -1.879 1.00 0.00 N ATOM 680 CA SER A 47 -11.445 -2.939 -1.286 1.00 0.00 C ATOM 681 C SER A 47 -11.318 -4.057 -2.322 1.00 0.00 C ATOM 682 O SER A 47 -12.293 -4.665 -2.718 1.00 0.00 O ATOM 683 CB SER A 47 -12.905 -2.811 -0.851 1.00 0.00 C ATOM 684 OG SER A 47 -13.381 -4.079 -0.418 1.00 0.00 O ATOM 0 H SER A 47 -11.379 -1.431 -2.796 1.00 0.00 H new ATOM 0 HA SER A 47 -10.825 -3.177 -0.421 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.993 -2.082 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.512 -2.446 -1.679 1.00 0.00 H new ATOM 0 HG SER A 47 -13.459 -4.680 -1.188 1.00 0.00 H new ATOM 690 N VAL A 48 -10.122 -4.336 -2.764 1.00 0.00 N ATOM 691 CA VAL A 48 -9.931 -5.416 -3.770 1.00 0.00 C ATOM 692 C VAL A 48 -9.265 -6.622 -3.105 1.00 0.00 C ATOM 693 O VAL A 48 -8.067 -6.649 -2.907 1.00 0.00 O ATOM 694 CB VAL A 48 -9.049 -4.906 -4.895 1.00 0.00 C ATOM 695 CG1 VAL A 48 -9.037 -5.921 -6.040 1.00 0.00 C ATOM 696 CG2 VAL A 48 -9.584 -3.567 -5.404 1.00 0.00 C ATOM 0 H VAL A 48 -9.268 -3.861 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.899 -5.714 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.034 -4.770 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.403 -5.552 -6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.648 -6.873 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.052 -6.062 -6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.948 -3.204 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.601 -3.698 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.585 -2.842 -4.590 1.00 0.00 H new ATOM 706 N ASN A 49 -10.032 -7.618 -2.750 1.00 0.00 N ATOM 707 CA ASN A 49 -9.447 -8.810 -2.091 1.00 0.00 C ATOM 708 C ASN A 49 -8.950 -9.806 -3.144 1.00 0.00 C ATOM 709 O ASN A 49 -8.990 -11.002 -2.939 1.00 0.00 O ATOM 710 CB ASN A 49 -10.506 -9.482 -1.215 1.00 0.00 C ATOM 711 CG ASN A 49 -9.903 -10.721 -0.549 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.927 -10.626 0.167 1.00 0.00 O ATOM 713 ND2 ASN A 49 -10.449 -11.889 -0.757 1.00 0.00 N ATOM 0 H ASN A 49 -11.042 -7.653 -2.891 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.605 -8.495 -1.474 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.862 -8.785 -0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.368 -9.764 -1.819 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.056 -12.721 -0.318 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.269 -11.969 -1.358 1.00 0.00 H new ATOM 720 N THR A 50 -8.483 -9.330 -4.267 1.00 0.00 N ATOM 721 CA THR A 50 -7.984 -10.261 -5.319 1.00 0.00 C ATOM 722 C THR A 50 -6.683 -10.909 -4.842 1.00 0.00 C ATOM 723 O THR A 50 -5.601 -10.448 -5.151 1.00 0.00 O ATOM 724 CB THR A 50 -7.725 -9.483 -6.611 1.00 0.00 C ATOM 725 OG1 THR A 50 -7.199 -10.363 -7.594 1.00 0.00 O ATOM 726 CG2 THR A 50 -6.724 -8.358 -6.342 1.00 0.00 C ATOM 0 H THR A 50 -8.426 -8.339 -4.501 1.00 0.00 H new ATOM 0 HA THR A 50 -8.730 -11.033 -5.508 1.00 0.00 H new ATOM 0 HB THR A 50 -8.660 -9.054 -6.970 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.034 -9.867 -8.423 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.541 -7.806 -7.264 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.129 -7.683 -5.588 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.787 -8.783 -5.982 1.00 0.00 H new ATOM 734 N GLY A 51 -6.774 -11.971 -4.085 1.00 0.00 N ATOM 735 CA GLY A 51 -5.536 -12.636 -3.586 1.00 0.00 C ATOM 736 C GLY A 51 -4.556 -11.570 -3.091 1.00 0.00 C ATOM 737 O GLY A 51 -3.357 -11.765 -3.092 1.00 0.00 O ATOM 0 H GLY A 51 -7.649 -12.405 -3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.780 -13.326 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.080 -13.225 -4.381 1.00 0.00 H new ATOM 741 N THR A 52 -5.061 -10.440 -2.676 1.00 0.00 N ATOM 742 CA THR A 52 -4.167 -9.353 -2.189 1.00 0.00 C ATOM 743 C THR A 52 -4.771 -8.720 -0.932 1.00 0.00 C ATOM 744 O THR A 52 -5.953 -8.839 -0.675 1.00 0.00 O ATOM 745 CB THR A 52 -4.034 -8.293 -3.286 1.00 0.00 C ATOM 746 OG1 THR A 52 -3.171 -8.777 -4.305 1.00 0.00 O ATOM 747 CG2 THR A 52 -3.457 -7.006 -2.698 1.00 0.00 C ATOM 0 H THR A 52 -6.057 -10.223 -2.654 1.00 0.00 H new ATOM 0 HA THR A 52 -3.185 -9.759 -1.948 1.00 0.00 H new ATOM 0 HB THR A 52 -5.018 -8.084 -3.706 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.656 -9.414 -4.869 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.365 -6.256 -3.484 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.120 -6.634 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.474 -7.209 -2.273 1.00 0.00 H new ATOM 755 N GLU A 53 -3.973 -8.047 -0.145 1.00 0.00 N ATOM 756 CA GLU A 53 -4.512 -7.412 1.087 1.00 0.00 C ATOM 757 C GLU A 53 -4.313 -5.895 1.012 1.00 0.00 C ATOM 758 O GLU A 53 -3.273 -5.383 1.373 1.00 0.00 O ATOM 759 CB GLU A 53 -3.779 -7.962 2.314 1.00 0.00 C ATOM 760 CG GLU A 53 -3.309 -9.394 2.038 1.00 0.00 C ATOM 761 CD GLU A 53 -3.582 -10.268 3.264 1.00 0.00 C ATOM 762 OE1 GLU A 53 -4.691 -10.216 3.769 1.00 0.00 O ATOM 763 OE2 GLU A 53 -2.677 -10.975 3.675 1.00 0.00 O ATOM 0 H GLU A 53 -2.975 -7.911 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.576 -7.636 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.925 -7.329 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.440 -7.947 3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.828 -9.797 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.244 -9.400 1.804 1.00 0.00 H new ATOM 770 N ILE A 54 -5.298 -5.170 0.549 1.00 0.00 N ATOM 771 CA ILE A 54 -5.143 -3.689 0.462 1.00 0.00 C ATOM 772 C ILE A 54 -5.824 -3.033 1.663 1.00 0.00 C ATOM 773 O ILE A 54 -6.630 -3.639 2.341 1.00 0.00 O ATOM 774 CB ILE A 54 -5.746 -3.173 -0.862 1.00 0.00 C ATOM 775 CG1 ILE A 54 -4.950 -1.954 -1.335 1.00 0.00 C ATOM 776 CG2 ILE A 54 -7.218 -2.775 -0.693 1.00 0.00 C ATOM 777 CD1 ILE A 54 -5.343 -1.618 -2.776 1.00 0.00 C ATOM 0 H ILE A 54 -6.195 -5.536 0.230 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.084 -3.431 0.477 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.692 -3.977 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.148 -1.102 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.881 -2.159 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.610 -2.417 -1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.794 -3.641 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.298 -1.984 0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.777 -0.750 -3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.123 -2.469 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.409 -1.396 -2.820 1.00 0.00 H new ATOM 789 N LYS A 55 -5.506 -1.800 1.930 1.00 0.00 N ATOM 790 CA LYS A 55 -6.136 -1.111 3.085 1.00 0.00 C ATOM 791 C LYS A 55 -6.093 0.400 2.868 1.00 0.00 C ATOM 792 O LYS A 55 -5.685 0.880 1.825 1.00 0.00 O ATOM 793 CB LYS A 55 -5.382 -1.467 4.368 1.00 0.00 C ATOM 794 CG LYS A 55 -5.974 -2.743 4.966 1.00 0.00 C ATOM 795 CD LYS A 55 -6.452 -2.465 6.392 1.00 0.00 C ATOM 796 CE LYS A 55 -7.454 -3.542 6.814 1.00 0.00 C ATOM 797 NZ LYS A 55 -8.814 -3.174 6.327 1.00 0.00 N ATOM 0 H LYS A 55 -4.838 -1.241 1.399 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.174 -1.433 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.323 -1.610 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.454 -0.649 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.806 -3.092 4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.226 -3.536 4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.603 -2.455 7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.916 -1.480 6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.159 -4.508 6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.460 -3.643 7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.495 -3.906 6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.094 -2.260 6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.803 -3.099 5.290 1.00 0.00 H new ATOM 811 N CYS A 56 -6.509 1.149 3.849 1.00 0.00 N ATOM 812 CA CYS A 56 -6.506 2.633 3.716 1.00 0.00 C ATOM 813 C CYS A 56 -5.299 3.193 4.464 1.00 0.00 C ATOM 814 O CYS A 56 -4.940 2.718 5.523 1.00 0.00 O ATOM 815 CB CYS A 56 -7.794 3.233 4.311 1.00 0.00 C ATOM 816 SG CYS A 56 -9.019 1.936 4.655 1.00 0.00 S ATOM 0 H CYS A 56 -6.853 0.796 4.742 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.454 2.895 2.659 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.559 3.769 5.231 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.215 3.961 3.617 1.00 0.00 H new ATOM 821 N CYS A 57 -4.663 4.190 3.919 1.00 0.00 N ATOM 822 CA CYS A 57 -3.472 4.764 4.600 1.00 0.00 C ATOM 823 C CYS A 57 -3.186 6.160 4.056 1.00 0.00 C ATOM 824 O CYS A 57 -3.321 6.423 2.879 1.00 0.00 O ATOM 825 CB CYS A 57 -2.266 3.867 4.325 1.00 0.00 C ATOM 826 SG CYS A 57 -0.782 4.588 5.068 1.00 0.00 S ATOM 0 H CYS A 57 -4.915 4.631 3.035 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.662 4.826 5.672 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.441 2.872 4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.126 3.750 3.250 1.00 0.00 H new ATOM 831 N SER A 58 -2.784 7.061 4.900 1.00 0.00 N ATOM 832 CA SER A 58 -2.482 8.429 4.409 1.00 0.00 C ATOM 833 C SER A 58 -1.176 8.926 5.016 1.00 0.00 C ATOM 834 O SER A 58 -0.699 9.996 4.693 1.00 0.00 O ATOM 835 CB SER A 58 -3.621 9.378 4.783 1.00 0.00 C ATOM 836 OG SER A 58 -4.611 8.660 5.509 1.00 0.00 O ATOM 0 H SER A 58 -2.652 6.913 5.900 1.00 0.00 H new ATOM 0 HA SER A 58 -2.380 8.401 3.324 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.240 10.203 5.384 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.057 9.813 3.884 1.00 0.00 H new ATOM 0 HG SER A 58 -5.342 9.266 5.752 1.00 0.00 H new ATOM 842 N ALA A 59 -0.586 8.163 5.886 1.00 0.00 N ATOM 843 CA ALA A 59 0.694 8.607 6.497 1.00 0.00 C ATOM 844 C ALA A 59 1.378 7.407 7.154 1.00 0.00 C ATOM 845 O ALA A 59 1.735 6.449 6.497 1.00 0.00 O ATOM 846 CB ALA A 59 0.403 9.689 7.536 1.00 0.00 C ATOM 0 H ALA A 59 -0.931 7.256 6.200 1.00 0.00 H new ATOM 0 HA ALA A 59 1.355 9.017 5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.338 10.020 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.086 10.535 7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.251 9.285 8.309 1.00 0.00 H new ATOM 852 N ASP A 60 1.527 7.434 8.451 1.00 0.00 N ATOM 853 CA ASP A 60 2.146 6.286 9.154 1.00 0.00 C ATOM 854 C ASP A 60 1.015 5.401 9.656 1.00 0.00 C ATOM 855 O ASP A 60 1.097 4.780 10.697 1.00 0.00 O ATOM 856 CB ASP A 60 2.987 6.783 10.332 1.00 0.00 C ATOM 857 CG ASP A 60 3.786 5.618 10.918 1.00 0.00 C ATOM 858 OD1 ASP A 60 3.952 4.629 10.224 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.221 5.735 12.053 1.00 0.00 O ATOM 0 H ASP A 60 1.244 8.208 9.052 1.00 0.00 H new ATOM 0 HA ASP A 60 2.802 5.731 8.484 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.663 7.572 10.002 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.341 7.216 11.096 1.00 0.00 H new ATOM 864 N LYS A 61 -0.047 5.352 8.905 1.00 0.00 N ATOM 865 CA LYS A 61 -1.210 4.525 9.296 1.00 0.00 C ATOM 866 C LYS A 61 -1.285 3.311 8.373 1.00 0.00 C ATOM 867 O LYS A 61 -2.173 2.488 8.477 1.00 0.00 O ATOM 868 CB LYS A 61 -2.491 5.351 9.167 1.00 0.00 C ATOM 869 CG LYS A 61 -3.703 4.425 9.262 1.00 0.00 C ATOM 870 CD LYS A 61 -4.883 5.184 9.874 1.00 0.00 C ATOM 871 CE LYS A 61 -5.411 6.208 8.868 1.00 0.00 C ATOM 872 NZ LYS A 61 -6.441 7.063 9.522 1.00 0.00 N ATOM 0 H LYS A 61 -0.156 5.858 8.026 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.101 4.196 10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.532 6.104 9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.500 5.883 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.970 4.056 8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.461 3.555 9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.675 4.486 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.570 5.686 10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.592 6.825 8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.841 5.698 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.800 7.759 8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.226 6.468 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.017 7.560 10.331 1.00 0.00 H new ATOM 886 N CYS A 62 -0.353 3.195 7.467 1.00 0.00 N ATOM 887 CA CYS A 62 -0.357 2.043 6.531 1.00 0.00 C ATOM 888 C CYS A 62 -0.359 0.737 7.330 1.00 0.00 C ATOM 889 O CYS A 62 -1.019 -0.219 6.974 1.00 0.00 O ATOM 890 CB CYS A 62 0.896 2.103 5.653 1.00 0.00 C ATOM 891 SG CYS A 62 0.721 3.410 4.404 1.00 0.00 S ATOM 0 H CYS A 62 0.414 3.854 7.337 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.247 2.084 5.903 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.773 2.295 6.271 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.054 1.141 5.165 1.00 0.00 H new ATOM 896 N ASN A 63 0.379 0.687 8.408 1.00 0.00 N ATOM 897 CA ASN A 63 0.426 -0.550 9.223 1.00 0.00 C ATOM 898 C ASN A 63 0.243 -0.202 10.703 1.00 0.00 C ATOM 899 O ASN A 63 1.134 -0.388 11.508 1.00 0.00 O ATOM 900 CB ASN A 63 1.782 -1.223 9.027 1.00 0.00 C ATOM 901 CG ASN A 63 2.896 -0.232 9.368 1.00 0.00 C ATOM 902 OD1 ASN A 63 2.656 0.777 10.002 1.00 0.00 O ATOM 903 ND2 ASN A 63 4.115 -0.478 8.972 1.00 0.00 N ATOM 0 H ASN A 63 0.952 1.456 8.756 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.373 -1.223 8.911 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.858 -2.105 9.663 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.886 -1.563 7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.865 0.176 9.195 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.317 -1.324 8.440 1.00 0.00 H new ATOM 910 N THR A 64 -0.904 0.301 11.069 1.00 0.00 N ATOM 911 CA THR A 64 -1.138 0.656 12.497 1.00 0.00 C ATOM 912 C THR A 64 -2.638 0.641 12.797 1.00 0.00 C ATOM 913 O THR A 64 -3.348 1.583 12.504 1.00 0.00 O ATOM 914 CB THR A 64 -0.575 2.044 12.778 1.00 0.00 C ATOM 915 OG1 THR A 64 0.036 2.557 11.601 1.00 0.00 O ATOM 916 CG2 THR A 64 0.460 1.924 13.890 1.00 0.00 C ATOM 0 H THR A 64 -1.688 0.481 10.442 1.00 0.00 H new ATOM 0 HA THR A 64 -0.638 -0.074 13.134 1.00 0.00 H new ATOM 0 HB THR A 64 -1.372 2.722 13.083 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.327 3.479 11.759 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.876 2.908 14.107 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.014 1.524 14.787 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.259 1.254 13.573 1.00 0.00 H new ATOM 924 N TYR A 65 -3.125 -0.425 13.371 1.00 0.00 N ATOM 925 CA TYR A 65 -4.571 -0.512 13.681 1.00 0.00 C ATOM 926 C TYR A 65 -5.074 0.825 14.254 1.00 0.00 C ATOM 927 O TYR A 65 -6.064 1.352 13.786 1.00 0.00 O ATOM 928 CB TYR A 65 -4.822 -1.664 14.670 1.00 0.00 C ATOM 929 CG TYR A 65 -6.146 -1.468 15.372 1.00 0.00 C ATOM 930 CD1 TYR A 65 -6.224 -0.653 16.510 1.00 0.00 C ATOM 931 CD2 TYR A 65 -7.296 -2.104 14.887 1.00 0.00 C ATOM 932 CE1 TYR A 65 -7.452 -0.473 17.160 1.00 0.00 C ATOM 933 CE2 TYR A 65 -8.524 -1.925 15.537 1.00 0.00 C ATOM 934 CZ TYR A 65 -8.602 -1.109 16.674 1.00 0.00 C ATOM 935 OH TYR A 65 -9.811 -0.933 17.315 1.00 0.00 O ATOM 0 H TYR A 65 -2.576 -1.242 13.638 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.124 -0.715 12.764 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.821 -2.616 14.139 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.016 -1.707 15.403 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.337 -0.164 16.886 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.236 -2.733 14.011 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.512 0.156 18.036 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.410 -2.416 15.162 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.506 -1.443 16.848 1.00 0.00 H new ATOM 945 N PRO A 66 -4.385 1.341 15.245 1.00 0.00 N ATOM 946 CA PRO A 66 -4.761 2.618 15.879 1.00 0.00 C ATOM 947 C PRO A 66 -4.340 3.797 14.998 1.00 0.00 C ATOM 948 O PRO A 66 -3.177 3.854 14.635 1.00 0.00 O ATOM 949 CB PRO A 66 -3.978 2.614 17.194 1.00 0.00 C ATOM 950 CG PRO A 66 -2.790 1.646 16.989 1.00 0.00 C ATOM 951 CD PRO A 66 -3.179 0.714 15.826 1.00 0.00 C ATOM 952 OXT PRO A 66 -5.188 4.623 14.701 1.00 0.00 O ATOM 0 HA PRO A 66 -5.836 2.720 16.030 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.625 3.616 17.440 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.608 2.286 18.021 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.878 2.196 16.757 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.595 1.074 17.896 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.377 0.638 15.092 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.386 -0.297 16.178 1.00 0.00 H new TER 960 PRO A 66