USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 581 hydrogens (13 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 NoAdj-H: A 25 MLE H : A 25 MLE N : A 24 GLU C :(H bumps) USER MOD Set 1.1: A 71 ASN : amide:sc= 0.0573 K(o=0.67,f=-0.58) USER MOD Set 1.2: A 72 SER OG : rot -72:sc= 0.614 USER MOD Set 2.1: A 30 SER OG : rot -110:sc= 0.648 USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc= 0.58 USER MOD Single : A 8 GLN : amide:sc= -0.0422 X(o=-0.042,f=-0.54) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00417 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -12! C(o=-12!,f=-21!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-2.9!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -114:sc= 0.17 (180deg=-0.065) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.3) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 -13.607 11.181 -9.354 1.00 9.58 N ATOM 2 CA GLU A 4 -12.486 10.545 -8.600 1.00 9.09 C ATOM 3 C GLU A 4 -11.643 11.633 -7.915 1.00 8.06 C ATOM 4 O GLU A 4 -10.915 12.363 -8.563 1.00 8.10 O ATOM 5 CB GLU A 4 -11.605 9.748 -9.570 1.00 9.77 C ATOM 6 CG GLU A 4 -10.656 8.846 -8.775 1.00 10.24 C ATOM 7 CD GLU A 4 -9.706 8.126 -9.737 1.00 11.04 C ATOM 8 OE1 GLU A 4 -8.679 8.700 -10.064 1.00 11.49 O ATOM 9 OE2 GLU A 4 -10.023 7.013 -10.129 1.00 11.36 O ATOM 0 HA GLU A 4 -12.893 9.874 -7.844 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -12.227 9.146 -10.232 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -11.033 10.428 -10.202 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -10.086 9.440 -8.061 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -11.227 8.118 -8.199 1.00 10.24 H new ATOM 16 N LEU A 5 -11.738 11.749 -6.608 1.00 7.36 N ATOM 17 CA LEU A 5 -10.942 12.788 -5.881 1.00 6.53 C ATOM 18 C LEU A 5 -10.616 12.298 -4.461 1.00 6.17 C ATOM 19 O LEU A 5 -11.084 11.258 -4.032 1.00 6.61 O ATOM 20 CB LEU A 5 -11.738 14.103 -5.812 1.00 6.34 C ATOM 21 CG LEU A 5 -13.167 13.841 -5.315 1.00 7.26 C ATOM 22 CD1 LEU A 5 -13.231 14.044 -3.800 1.00 7.60 C ATOM 23 CD2 LEU A 5 -14.127 14.818 -5.999 1.00 7.86 C ATOM 0 H LEU A 5 -12.332 11.168 -6.016 1.00 7.36 H new ATOM 0 HA LEU A 5 -10.010 12.964 -6.419 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -11.237 14.804 -5.144 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -11.769 14.568 -6.797 1.00 6.34 H new ATOM 0 HG LEU A 5 -13.452 12.816 -5.554 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -14.246 13.857 -3.450 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -12.546 13.352 -3.311 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -12.946 15.068 -3.558 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -15.143 14.635 -5.649 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -13.838 15.841 -5.757 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -14.084 14.674 -7.079 1.00 7.86 H new ATOM 35 N ARG A 6 -9.823 13.056 -3.729 1.00 5.61 N ATOM 36 CA ARG A 6 -9.445 12.688 -2.341 1.00 5.48 C ATOM 37 C ARG A 6 -8.812 11.288 -2.294 1.00 4.69 C ATOM 38 O ARG A 6 -8.552 10.676 -3.314 1.00 4.64 O ATOM 39 CB ARG A 6 -10.686 12.744 -1.467 1.00 6.06 C ATOM 40 CG ARG A 6 -11.183 14.190 -1.355 1.00 6.84 C ATOM 41 CD ARG A 6 -10.738 14.781 -0.015 1.00 7.76 C ATOM 42 NE ARG A 6 -11.220 16.189 0.095 1.00 8.57 N ATOM 43 CZ ARG A 6 -10.364 17.169 0.225 1.00 9.27 C ATOM 44 NH1 ARG A 6 -9.679 17.298 1.333 1.00 9.77 N ATOM 45 NH2 ARG A 6 -10.193 18.020 -0.754 1.00 9.70 N ATOM 0 H ARG A 6 -9.418 13.934 -4.055 1.00 5.61 H new ATOM 0 HA ARG A 6 -8.701 13.394 -1.970 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -11.468 12.114 -1.891 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -10.461 12.350 -0.476 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -10.787 14.786 -2.177 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -12.270 14.219 -1.434 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -11.135 14.185 0.807 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -9.651 14.751 0.065 1.00 7.76 H new ATOM 0 HE ARG A 6 -12.220 16.388 0.069 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -9.813 16.634 2.096 1.00 9.77 H new ATOM 0 HH12 ARG A 6 -9.011 18.063 1.434 1.00 9.77 H new ATOM 0 HH21 ARG A 6 -10.727 17.919 -1.617 1.00 9.70 H new ATOM 0 HH22 ARG A 6 -9.526 18.785 -0.654 1.00 9.70 H new ATOM 59 N CYS A 7 -8.548 10.780 -1.111 1.00 4.47 N ATOM 60 CA CYS A 7 -7.928 9.429 -0.996 1.00 4.05 C ATOM 61 C CYS A 7 -8.989 8.359 -1.262 1.00 4.38 C ATOM 62 O CYS A 7 -10.014 8.316 -0.605 1.00 4.93 O ATOM 63 CB CYS A 7 -7.359 9.235 0.411 1.00 4.32 C ATOM 64 SG CYS A 7 -5.680 9.909 0.483 1.00 4.79 S ATOM 0 H CYS A 7 -8.737 11.246 -0.224 1.00 4.47 H new ATOM 0 HA CYS A 7 -7.123 9.342 -1.726 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -7.994 9.734 1.143 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -7.348 8.176 0.667 1.00 4.32 H new ATOM 69 N GLN A 8 -8.747 7.493 -2.215 1.00 4.51 N ATOM 70 CA GLN A 8 -9.736 6.415 -2.522 1.00 5.30 C ATOM 71 C GLN A 8 -9.738 5.362 -1.399 1.00 5.47 C ATOM 72 O GLN A 8 -10.625 4.531 -1.330 1.00 6.21 O ATOM 73 CB GLN A 8 -9.375 5.743 -3.852 1.00 5.63 C ATOM 74 CG GLN A 8 -10.510 5.951 -4.860 1.00 6.22 C ATOM 75 CD GLN A 8 -11.717 5.094 -4.461 1.00 7.21 C ATOM 76 OE1 GLN A 8 -12.578 5.542 -3.731 1.00 7.78 O ATOM 77 NE2 GLN A 8 -11.817 3.873 -4.911 1.00 7.68 N ATOM 0 H GLN A 8 -7.907 7.486 -2.793 1.00 4.51 H new ATOM 0 HA GLN A 8 -10.728 6.859 -2.597 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -8.448 6.162 -4.242 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -9.203 4.678 -3.698 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -10.793 7.003 -4.892 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -10.175 5.681 -5.861 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -11.095 3.495 -5.524 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -12.617 3.297 -4.649 1.00 7.68 H new ATOM 86 N CYS A 9 -8.757 5.388 -0.518 1.00 5.04 N ATOM 87 CA CYS A 9 -8.715 4.389 0.591 1.00 5.45 C ATOM 88 C CYS A 9 -8.449 5.092 1.924 1.00 5.99 C ATOM 89 O CYS A 9 -7.321 5.415 2.252 1.00 6.13 O ATOM 90 CB CYS A 9 -7.606 3.363 0.326 1.00 5.08 C ATOM 91 SG CYS A 9 -8.336 1.824 -0.289 1.00 5.12 S ATOM 0 H CYS A 9 -7.989 6.059 -0.525 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.678 3.880 0.640 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -6.898 3.758 -0.403 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -7.047 3.172 1.242 1.00 5.08 H new ATOM 96 N ILE A 10 -9.480 5.309 2.707 1.00 6.61 N ATOM 97 CA ILE A 10 -9.292 5.961 4.041 1.00 7.44 C ATOM 98 C ILE A 10 -8.496 5.003 4.943 1.00 7.48 C ATOM 99 O ILE A 10 -7.729 5.425 5.788 1.00 8.16 O ATOM 100 CB ILE A 10 -10.660 6.259 4.673 1.00 8.38 C ATOM 101 CG1 ILE A 10 -11.439 7.236 3.781 1.00 8.63 C ATOM 102 CG2 ILE A 10 -10.465 6.886 6.058 1.00 9.31 C ATOM 103 CD1 ILE A 10 -12.921 6.853 3.766 1.00 9.47 C ATOM 0 H ILE A 10 -10.443 5.062 2.479 1.00 6.61 H new ATOM 0 HA ILE A 10 -8.751 6.900 3.925 1.00 7.44 H new ATOM 0 HB ILE A 10 -11.218 5.328 4.770 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -11.321 8.254 4.151 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -11.038 7.216 2.768 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -11.438 7.096 6.503 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -9.916 6.194 6.697 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -9.903 7.815 5.961 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -13.470 7.549 3.132 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -13.031 5.841 3.375 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -13.318 6.896 4.780 1.00 9.47 H new ATOM 115 N LYS A 11 -8.665 3.716 4.742 1.00 6.93 N ATOM 116 CA LYS A 11 -7.918 2.708 5.549 1.00 7.15 C ATOM 117 C LYS A 11 -6.997 1.924 4.605 1.00 6.42 C ATOM 118 O LYS A 11 -7.445 1.339 3.633 1.00 6.35 O ATOM 119 CB LYS A 11 -8.904 1.755 6.247 1.00 8.05 C ATOM 120 CG LYS A 11 -9.795 1.049 5.214 1.00 8.65 C ATOM 121 CD LYS A 11 -11.013 0.437 5.915 1.00 9.04 C ATOM 122 CE LYS A 11 -12.223 1.362 5.750 1.00 9.50 C ATOM 123 NZ LYS A 11 -12.812 1.184 4.391 1.00 9.69 N ATOM 0 H LYS A 11 -9.296 3.321 4.045 1.00 6.93 H new ATOM 0 HA LYS A 11 -7.326 3.205 6.317 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -8.354 1.015 6.827 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -9.524 2.314 6.949 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -10.120 1.759 4.454 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -9.229 0.271 4.702 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -11.233 -0.544 5.493 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -10.799 0.288 6.973 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -12.970 1.139 6.512 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -11.922 2.400 5.893 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -13.633 1.814 4.283 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -12.099 1.418 3.670 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -13.115 0.196 4.271 1.00 9.69 H new ATOM 137 N THR A 12 -5.714 1.925 4.865 1.00 6.02 N ATOM 138 CA THR A 12 -4.768 1.199 3.965 1.00 5.35 C ATOM 139 C THR A 12 -4.397 -0.168 4.543 1.00 5.31 C ATOM 140 O THR A 12 -4.961 -0.625 5.520 1.00 5.80 O ATOM 141 CB THR A 12 -3.497 2.027 3.747 1.00 5.23 C ATOM 142 OG1 THR A 12 -3.371 3.018 4.759 1.00 5.90 O ATOM 143 CG2 THR A 12 -3.561 2.682 2.371 1.00 5.32 C ATOM 0 H THR A 12 -5.282 2.396 5.660 1.00 6.02 H new ATOM 0 HA THR A 12 -5.269 1.048 3.009 1.00 5.35 H new ATOM 0 HB THR A 12 -2.626 1.375 3.801 1.00 5.23 H new ATOM 0 HG1 THR A 12 -2.554 3.538 4.608 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.660 3.273 2.207 1.00 5.32 H new ATOM 0 HG22 THR A 12 -3.633 1.911 1.604 1.00 5.32 H new ATOM 0 HG23 THR A 12 -4.436 3.330 2.317 1.00 5.32 H new ATOM 151 N TYR A 13 -3.458 -0.829 3.911 1.00 4.96 N ATOM 152 CA TYR A 13 -3.033 -2.178 4.365 1.00 5.03 C ATOM 153 C TYR A 13 -1.781 -2.076 5.239 1.00 5.08 C ATOM 154 O TYR A 13 -0.746 -1.599 4.809 1.00 4.67 O ATOM 155 CB TYR A 13 -2.723 -3.028 3.129 1.00 4.85 C ATOM 156 CG TYR A 13 -2.845 -4.495 3.444 1.00 5.22 C ATOM 157 CD1 TYR A 13 -3.788 -4.945 4.373 1.00 5.34 C ATOM 158 CD2 TYR A 13 -2.004 -5.403 2.799 1.00 5.75 C ATOM 159 CE1 TYR A 13 -3.890 -6.312 4.660 1.00 5.79 C ATOM 160 CE2 TYR A 13 -2.103 -6.771 3.082 1.00 6.30 C ATOM 161 CZ TYR A 13 -3.046 -7.225 4.014 1.00 6.23 C ATOM 162 OH TYR A 13 -3.144 -8.575 4.293 1.00 6.84 O ATOM 0 H TYR A 13 -2.965 -0.481 3.089 1.00 4.96 H new ATOM 0 HA TYR A 13 -3.830 -2.634 4.953 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.407 -2.767 2.322 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.715 -2.810 2.776 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -4.437 -4.239 4.869 1.00 5.34 H new ATOM 0 HD2 TYR A 13 -1.277 -5.051 2.082 1.00 5.75 H new ATOM 0 HE1 TYR A 13 -4.618 -6.662 5.378 1.00 5.79 H new ATOM 0 HE2 TYR A 13 -1.454 -7.475 2.583 1.00 6.30 H new ATOM 0 HH TYR A 13 -2.487 -9.068 3.758 1.00 6.84 H new ATOM 172 N SER A 14 -1.870 -2.543 6.458 1.00 5.82 N ATOM 173 CA SER A 14 -0.690 -2.505 7.372 1.00 6.06 C ATOM 174 C SER A 14 0.013 -3.867 7.343 1.00 6.51 C ATOM 175 O SER A 14 1.217 -3.951 7.495 1.00 6.88 O ATOM 176 CB SER A 14 -1.151 -2.192 8.796 1.00 6.42 C ATOM 177 OG SER A 14 -1.469 -0.809 8.893 1.00 6.80 O ATOM 0 H SER A 14 -2.714 -2.951 6.861 1.00 5.82 H new ATOM 0 HA SER A 14 0.002 -1.730 7.044 1.00 6.06 H new ATOM 0 HB2 SER A 14 -2.022 -2.796 9.050 1.00 6.42 H new ATOM 0 HB3 SER A 14 -0.367 -2.448 9.509 1.00 6.42 H new ATOM 0 HG SER A 14 -1.767 -0.605 9.804 1.00 6.80 H new ATOM 183 N LYS A 15 -0.728 -4.933 7.131 1.00 6.59 N ATOM 184 CA LYS A 15 -0.101 -6.287 7.072 1.00 7.06 C ATOM 185 C LYS A 15 0.603 -6.432 5.718 1.00 6.32 C ATOM 186 O LYS A 15 0.082 -6.003 4.709 1.00 6.13 O ATOM 187 CB LYS A 15 -1.151 -7.397 7.205 1.00 7.75 C ATOM 188 CG LYS A 15 -2.418 -6.884 7.905 1.00 8.64 C ATOM 189 CD LYS A 15 -3.213 -8.068 8.463 1.00 9.43 C ATOM 190 CE LYS A 15 -4.545 -7.571 9.034 1.00 10.20 C ATOM 191 NZ LYS A 15 -4.339 -7.067 10.425 1.00 10.59 N ATOM 0 H LYS A 15 -1.739 -4.919 6.997 1.00 6.59 H new ATOM 0 HA LYS A 15 0.603 -6.383 7.898 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.408 -7.778 6.217 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.733 -8.231 7.769 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -2.149 -6.202 8.711 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -3.031 -6.321 7.202 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -3.394 -8.800 7.676 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -2.638 -8.571 9.240 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -4.948 -6.777 8.405 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -5.276 -8.379 9.034 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -5.245 -6.730 10.810 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -3.973 -7.836 11.022 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -3.655 -6.283 10.413 1.00 10.59 H new ATOM 205 N PRO A 16 1.772 -7.015 5.738 1.00 6.02 N ATOM 206 CA PRO A 16 2.589 -7.209 4.529 1.00 5.35 C ATOM 207 C PRO A 16 2.158 -8.462 3.757 1.00 5.50 C ATOM 208 O PRO A 16 1.539 -9.359 4.300 1.00 6.37 O ATOM 209 CB PRO A 16 4.001 -7.369 5.088 1.00 5.39 C ATOM 210 CG PRO A 16 3.847 -7.834 6.558 1.00 6.26 C ATOM 211 CD PRO A 16 2.392 -7.533 6.969 1.00 6.51 C ATOM 0 HA PRO A 16 2.497 -6.388 3.818 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.566 -8.099 4.508 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.547 -6.427 5.035 1.00 5.39 H new ATOM 0 HG2 PRO A 16 4.063 -8.898 6.652 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.549 -7.308 7.206 1.00 6.26 H new ATOM 0 HD2 PRO A 16 1.884 -8.430 7.324 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.349 -6.801 7.776 1.00 6.51 H new ATOM 219 N PHE A 17 2.495 -8.525 2.490 1.00 4.76 N ATOM 220 CA PHE A 17 2.122 -9.716 1.664 1.00 4.96 C ATOM 221 C PHE A 17 2.998 -9.780 0.398 1.00 4.78 C ATOM 222 O PHE A 17 3.531 -8.783 -0.053 1.00 4.77 O ATOM 223 CB PHE A 17 0.624 -9.661 1.299 1.00 4.69 C ATOM 224 CG PHE A 17 0.342 -8.624 0.229 1.00 3.72 C ATOM 225 CD1 PHE A 17 0.434 -7.257 0.521 1.00 3.29 C ATOM 226 CD2 PHE A 17 -0.033 -9.040 -1.056 1.00 3.74 C ATOM 227 CE1 PHE A 17 0.152 -6.310 -0.472 1.00 2.59 C ATOM 228 CE2 PHE A 17 -0.311 -8.092 -2.047 1.00 3.14 C ATOM 229 CZ PHE A 17 -0.219 -6.727 -1.754 1.00 2.38 C ATOM 0 H PHE A 17 3.013 -7.801 1.992 1.00 4.76 H new ATOM 0 HA PHE A 17 2.298 -10.622 2.245 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.299 -10.641 0.950 1.00 4.69 H new ATOM 0 HB3 PHE A 17 0.041 -9.431 2.191 1.00 4.69 H new ATOM 0 HD1 PHE A 17 0.722 -6.934 1.510 1.00 3.29 H new ATOM 0 HD2 PHE A 17 -0.107 -10.094 -1.281 1.00 3.74 H new ATOM 0 HE1 PHE A 17 0.221 -5.256 -0.247 1.00 2.59 H new ATOM 0 HE2 PHE A 17 -0.596 -8.414 -3.038 1.00 3.14 H new ATOM 0 HZ PHE A 17 -0.435 -5.995 -2.518 1.00 2.38 H new ATOM 239 N HIS A 18 3.157 -10.961 -0.161 1.00 4.92 N ATOM 240 CA HIS A 18 4.005 -11.135 -1.383 1.00 5.06 C ATOM 241 C HIS A 18 3.378 -10.372 -2.583 1.00 4.32 C ATOM 242 O HIS A 18 2.171 -10.329 -2.725 1.00 4.10 O ATOM 243 CB HIS A 18 4.150 -12.638 -1.637 1.00 5.95 C ATOM 244 CG HIS A 18 4.662 -12.880 -3.011 1.00 6.25 C ATOM 245 ND1 HIS A 18 6.007 -13.034 -3.307 1.00 6.36 N ATOM 246 CD2 HIS A 18 4.002 -12.989 -4.182 1.00 6.72 C ATOM 247 CE1 HIS A 18 6.095 -13.225 -4.634 1.00 6.81 C ATOM 248 NE2 HIS A 18 4.899 -13.212 -5.207 1.00 7.07 N ATOM 0 H HIS A 18 2.729 -11.820 0.184 1.00 4.92 H new ATOM 0 HA HIS A 18 4.999 -10.710 -1.244 1.00 5.06 H new ATOM 0 HB2 HIS A 18 4.831 -13.074 -0.906 1.00 5.95 H new ATOM 0 HB3 HIS A 18 3.186 -13.130 -1.508 1.00 5.95 H new ATOM 0 HD1 HIS A 18 6.782 -13.007 -2.644 1.00 6.36 H new ATOM 0 HD2 HIS A 18 2.931 -12.913 -4.300 1.00 6.72 H new ATOM 0 HE1 HIS A 18 7.023 -13.371 -5.167 1.00 6.81 H new ATOM 256 N PRO A 19 4.240 -9.732 -3.365 1.00 4.16 N ATOM 257 CA PRO A 19 3.834 -8.875 -4.516 1.00 3.77 C ATOM 258 C PRO A 19 3.388 -9.631 -5.780 1.00 4.27 C ATOM 259 O PRO A 19 2.426 -9.234 -6.408 1.00 4.32 O ATOM 260 CB PRO A 19 5.098 -8.069 -4.821 1.00 3.96 C ATOM 261 CG PRO A 19 6.283 -8.878 -4.255 1.00 4.62 C ATOM 262 CD PRO A 19 5.706 -9.807 -3.173 1.00 4.65 C ATOM 0 HA PRO A 19 2.955 -8.289 -4.246 1.00 3.77 H new ATOM 0 HB2 PRO A 19 5.211 -7.916 -5.894 1.00 3.96 H new ATOM 0 HB3 PRO A 19 5.048 -7.082 -4.362 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.769 -9.455 -5.042 1.00 4.62 H new ATOM 0 HG3 PRO A 19 7.038 -8.215 -3.833 1.00 4.62 H new ATOM 0 HD2 PRO A 19 6.070 -10.828 -3.290 1.00 4.65 H new ATOM 0 HD3 PRO A 19 5.993 -9.479 -2.174 1.00 4.65 H new ATOM 270 N LYS A 20 4.087 -10.664 -6.196 1.00 4.91 N ATOM 271 CA LYS A 20 3.691 -11.377 -7.467 1.00 5.52 C ATOM 272 C LYS A 20 2.193 -11.746 -7.463 1.00 5.00 C ATOM 273 O LYS A 20 1.590 -11.870 -8.513 1.00 5.39 O ATOM 274 CB LYS A 20 4.534 -12.629 -7.686 1.00 6.44 C ATOM 275 CG LYS A 20 4.632 -12.926 -9.185 1.00 7.16 C ATOM 276 CD LYS A 20 5.185 -14.339 -9.395 1.00 7.91 C ATOM 277 CE LYS A 20 4.711 -14.883 -10.747 1.00 8.41 C ATOM 278 NZ LYS A 20 5.684 -14.502 -11.812 1.00 8.95 N ATOM 0 H LYS A 20 4.905 -11.044 -5.720 1.00 4.91 H new ATOM 0 HA LYS A 20 3.874 -10.686 -8.290 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.530 -12.487 -7.267 1.00 6.44 H new ATOM 0 HB3 LYS A 20 4.087 -13.476 -7.165 1.00 6.44 H new ATOM 0 HG2 LYS A 20 3.649 -12.837 -9.648 1.00 7.16 H new ATOM 0 HG3 LYS A 20 5.280 -12.195 -9.669 1.00 7.16 H new ATOM 0 HD2 LYS A 20 6.274 -14.323 -9.360 1.00 7.91 H new ATOM 0 HD3 LYS A 20 4.850 -14.994 -8.591 1.00 7.91 H new ATOM 0 HE2 LYS A 20 4.615 -15.968 -10.700 1.00 8.41 H new ATOM 0 HE3 LYS A 20 3.724 -14.486 -10.984 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 5.359 -14.873 -12.728 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 5.754 -13.466 -11.863 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 6.618 -14.902 -11.588 1.00 8.95 H new ATOM 292 N PHE A 21 1.577 -11.889 -6.304 1.00 4.37 N ATOM 293 CA PHE A 21 0.116 -12.208 -6.261 1.00 4.15 C ATOM 294 C PHE A 21 -0.657 -11.066 -6.931 1.00 3.56 C ATOM 295 O PHE A 21 -1.618 -11.282 -7.645 1.00 3.88 O ATOM 296 CB PHE A 21 -0.358 -12.322 -4.815 1.00 4.02 C ATOM 297 CG PHE A 21 0.425 -13.364 -4.041 1.00 4.64 C ATOM 298 CD1 PHE A 21 1.020 -14.452 -4.697 1.00 5.11 C ATOM 299 CD2 PHE A 21 0.542 -13.238 -2.652 1.00 5.12 C ATOM 300 CE1 PHE A 21 1.733 -15.406 -3.958 1.00 5.85 C ATOM 301 CE2 PHE A 21 1.252 -14.191 -1.917 1.00 5.85 C ATOM 302 CZ PHE A 21 1.848 -15.276 -2.570 1.00 6.13 C ATOM 0 H PHE A 21 2.026 -11.798 -5.393 1.00 4.37 H new ATOM 0 HA PHE A 21 -0.057 -13.153 -6.776 1.00 4.15 H new ATOM 0 HB2 PHE A 21 -0.258 -11.354 -4.323 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.417 -12.579 -4.800 1.00 4.02 H new ATOM 0 HD1 PHE A 21 0.929 -14.554 -5.768 1.00 5.11 H new ATOM 0 HD2 PHE A 21 0.082 -12.402 -2.147 1.00 5.12 H new ATOM 0 HE1 PHE A 21 2.194 -16.243 -4.461 1.00 5.85 H new ATOM 0 HE2 PHE A 21 1.341 -14.090 -0.845 1.00 5.85 H new ATOM 0 HZ PHE A 21 2.397 -16.013 -2.002 1.00 6.13 H new ATOM 312 N ILE A 22 -0.225 -9.849 -6.692 1.00 2.94 N ATOM 313 CA ILE A 22 -0.890 -8.650 -7.286 1.00 2.62 C ATOM 314 C ILE A 22 -0.838 -8.726 -8.813 1.00 3.41 C ATOM 315 O ILE A 22 0.222 -8.682 -9.411 1.00 4.13 O ATOM 316 CB ILE A 22 -0.155 -7.383 -6.820 1.00 2.18 C ATOM 317 CG1 ILE A 22 -0.192 -7.291 -5.290 1.00 2.00 C ATOM 318 CG2 ILE A 22 -0.826 -6.147 -7.416 1.00 2.53 C ATOM 319 CD1 ILE A 22 1.086 -6.616 -4.788 1.00 2.47 C ATOM 0 H ILE A 22 0.576 -9.636 -6.098 1.00 2.94 H new ATOM 0 HA ILE A 22 -1.930 -8.620 -6.963 1.00 2.62 H new ATOM 0 HB ILE A 22 0.881 -7.432 -7.155 1.00 2.18 H new ATOM 0 HG12 ILE A 22 -1.066 -6.723 -4.970 1.00 2.00 H new ATOM 0 HG13 ILE A 22 -0.284 -8.287 -4.857 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.301 -5.252 -7.083 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.792 -6.204 -8.504 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.864 -6.103 -7.087 1.00 2.53 H new ATOM 0 HD11 ILE A 22 1.060 -6.551 -3.700 1.00 2.47 H new ATOM 0 HD12 ILE A 22 1.952 -7.202 -5.095 1.00 2.47 H new ATOM 0 HD13 ILE A 22 1.158 -5.614 -5.210 1.00 2.47 H new ATOM 331 N LYS A 23 -1.980 -8.814 -9.443 1.00 3.62 N ATOM 332 CA LYS A 23 -2.016 -8.864 -10.934 1.00 4.61 C ATOM 333 C LYS A 23 -1.787 -7.448 -11.483 1.00 5.00 C ATOM 334 O LYS A 23 -1.253 -7.275 -12.563 1.00 5.88 O ATOM 335 CB LYS A 23 -3.382 -9.383 -11.398 1.00 5.10 C ATOM 336 CG LYS A 23 -3.300 -9.818 -12.864 1.00 5.85 C ATOM 337 CD LYS A 23 -4.673 -9.665 -13.525 1.00 6.35 C ATOM 338 CE LYS A 23 -4.498 -9.168 -14.964 1.00 6.93 C ATOM 339 NZ LYS A 23 -5.561 -9.757 -15.828 1.00 7.72 N ATOM 0 H LYS A 23 -2.892 -8.853 -8.988 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.238 -9.533 -11.302 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -3.693 -10.223 -10.777 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -4.136 -8.604 -11.282 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -2.562 -9.214 -13.392 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -2.968 -10.854 -12.928 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -5.198 -10.620 -13.521 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -5.284 -8.962 -12.959 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -4.553 -8.080 -14.993 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -3.514 -9.448 -15.339 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 -5.442 -9.419 -16.804 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 -5.489 -10.794 -15.809 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -6.495 -9.469 -15.474 1.00 7.72 H new ATOM 353 N GLU A 24 -2.182 -6.436 -10.738 1.00 4.51 N ATOM 354 CA GLU A 24 -1.987 -5.028 -11.201 1.00 5.13 C ATOM 355 C GLU A 24 -1.712 -4.128 -9.989 1.00 4.55 C ATOM 356 O GLU A 24 -2.581 -3.907 -9.165 1.00 4.65 O ATOM 357 CB GLU A 24 -3.253 -4.546 -11.919 1.00 5.78 C ATOM 358 CG GLU A 24 -3.170 -4.900 -13.407 1.00 6.35 C ATOM 359 CD GLU A 24 -4.558 -4.783 -14.040 1.00 7.36 C ATOM 360 OE1 GLU A 24 -5.276 -5.770 -14.033 1.00 7.92 O ATOM 361 OE2 GLU A 24 -4.880 -3.709 -14.522 1.00 7.77 O ATOM 0 H GLU A 24 -2.632 -6.530 -9.827 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.142 -4.983 -11.888 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -4.134 -5.009 -11.474 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -3.364 -3.468 -11.797 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -2.472 -4.232 -13.912 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -2.787 -5.913 -13.529 1.00 6.35 H new HETATM 368 N MLE A 25 -0.508 -3.607 -9.867 1.00 4.25 N HETATM 369 CN MLE A 25 0.193 -3.128 -11.102 1.00 5.13 C HETATM 370 CA MLE A 25 -0.191 -2.723 -8.693 1.00 3.66 C HETATM 371 CB MLE A 25 1.134 -3.164 -8.050 1.00 3.52 C HETATM 372 CG MLE A 25 1.642 -2.069 -7.096 1.00 3.28 C HETATM 373 CD1 MLE A 25 2.101 -2.697 -5.782 1.00 2.93 C HETATM 374 CD2 MLE A 25 2.816 -1.322 -7.743 1.00 3.54 C HETATM 375 C MLE A 25 -0.068 -1.268 -9.162 1.00 4.19 C HETATM 376 O MLE A 25 0.931 -0.877 -9.743 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.624 -2.024 -7.950 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.486 -0.864 -8.675 1.00 3.54 H new HETATM 0 HD21 MLE A 25 3.173 -0.547 -7.064 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.265 -3.219 -5.317 1.00 2.93 H new HETATM 0 HD12 MLE A 25 2.907 -3.404 -5.979 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.459 -1.916 -5.111 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.128 -2.112 -11.332 1.00 5.13 H new HETATM 0 HN2 MLE A 25 1.270 -3.139 -10.936 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.052 -3.784 -11.937 1.00 5.13 H new HETATM 0 HG MLE A 25 0.832 -1.368 -6.896 1.00 3.28 H new HETATM 0 HB3 MLE A 25 0.991 -4.097 -7.504 1.00 3.52 H new HETATM 0 HB2 MLE A 25 1.877 -3.358 -8.824 1.00 3.52 H new HETATM 0 HA MLE A 25 -0.993 -2.804 -7.960 1.00 3.66 H new ATOM 390 N ARG A 26 -1.062 -0.460 -8.922 1.00 4.14 N ATOM 391 CA ARG A 26 -0.965 0.953 -9.367 1.00 4.79 C ATOM 392 C ARG A 26 -1.043 1.891 -8.153 1.00 4.70 C ATOM 393 O ARG A 26 -1.942 1.797 -7.340 1.00 4.97 O ATOM 394 CB ARG A 26 -2.093 1.280 -10.359 1.00 5.59 C ATOM 395 CG ARG A 26 -3.458 0.909 -9.760 1.00 5.99 C ATOM 396 CD ARG A 26 -4.387 2.128 -9.796 1.00 6.35 C ATOM 397 NE ARG A 26 -5.497 1.886 -10.763 1.00 7.16 N ATOM 398 CZ ARG A 26 -6.276 2.872 -11.126 1.00 7.92 C ATOM 399 NH1 ARG A 26 -7.165 3.344 -10.290 1.00 8.32 N ATOM 400 NH2 ARG A 26 -6.167 3.384 -12.325 1.00 8.52 N ATOM 0 H ARG A 26 -1.926 -0.714 -8.443 1.00 4.14 H new ATOM 0 HA ARG A 26 -0.008 1.098 -9.868 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -2.073 2.342 -10.605 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -1.937 0.734 -11.290 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -3.900 0.086 -10.321 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -3.334 0.565 -8.733 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -4.792 2.318 -8.802 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -3.826 3.016 -10.086 1.00 6.35 H new ATOM 0 HE ARG A 26 -5.649 0.951 -11.141 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -7.250 2.943 -9.356 1.00 8.32 H new ATOM 0 HH12 ARG A 26 -7.773 4.113 -10.572 1.00 8.32 H new ATOM 0 HH21 ARG A 26 -5.475 3.014 -12.976 1.00 8.52 H new ATOM 0 HH22 ARG A 26 -6.774 4.153 -12.608 1.00 8.52 H new ATOM 414 N VAL A 27 -0.101 2.792 -8.029 1.00 4.69 N ATOM 415 CA VAL A 27 -0.104 3.741 -6.877 1.00 4.83 C ATOM 416 C VAL A 27 -0.646 5.103 -7.333 1.00 4.79 C ATOM 417 O VAL A 27 -0.519 5.473 -8.486 1.00 5.45 O ATOM 418 CB VAL A 27 1.328 3.906 -6.350 1.00 5.66 C ATOM 419 CG1 VAL A 27 1.778 2.614 -5.669 1.00 6.10 C ATOM 420 CG2 VAL A 27 2.288 4.228 -7.503 1.00 6.04 C ATOM 0 H VAL A 27 0.674 2.911 -8.681 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.740 3.349 -6.084 1.00 4.83 H new ATOM 0 HB VAL A 27 1.342 4.727 -5.633 1.00 5.66 H new ATOM 0 HG11 VAL A 27 2.795 2.734 -5.296 1.00 6.10 H new ATOM 0 HG12 VAL A 27 1.111 2.390 -4.837 1.00 6.10 H new ATOM 0 HG13 VAL A 27 1.750 1.795 -6.388 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.299 4.342 -7.113 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.269 3.416 -8.230 1.00 6.04 H new ATOM 0 HG23 VAL A 27 1.979 5.155 -7.986 1.00 6.04 H new ATOM 430 N ILE A 28 -1.240 5.854 -6.434 1.00 4.28 N ATOM 431 CA ILE A 28 -1.778 7.195 -6.815 1.00 4.40 C ATOM 432 C ILE A 28 -1.012 8.271 -6.042 1.00 4.70 C ATOM 433 O ILE A 28 -0.880 8.199 -4.834 1.00 5.01 O ATOM 434 CB ILE A 28 -3.275 7.275 -6.478 1.00 4.45 C ATOM 435 CG1 ILE A 28 -4.046 6.263 -7.336 1.00 4.94 C ATOM 436 CG2 ILE A 28 -3.794 8.690 -6.772 1.00 4.49 C ATOM 437 CD1 ILE A 28 -5.527 6.276 -6.948 1.00 5.05 C ATOM 0 H ILE A 28 -1.374 5.595 -5.457 1.00 4.28 H new ATOM 0 HA ILE A 28 -1.654 7.351 -7.887 1.00 4.40 H new ATOM 0 HB ILE A 28 -3.421 7.046 -5.422 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -3.935 6.509 -8.392 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -3.633 5.264 -7.196 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -4.856 8.745 -6.532 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -3.247 9.412 -6.165 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -3.648 8.919 -7.828 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -6.070 5.556 -7.560 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -5.630 6.009 -5.896 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -5.937 7.273 -7.111 1.00 5.05 H new ATOM 449 N GLU A 29 -0.502 9.264 -6.732 1.00 5.08 N ATOM 450 CA GLU A 29 0.265 10.350 -6.050 1.00 5.75 C ATOM 451 C GLU A 29 -0.656 11.148 -5.121 1.00 5.30 C ATOM 452 O GLU A 29 -1.856 10.943 -5.086 1.00 4.95 O ATOM 453 CB GLU A 29 0.874 11.292 -7.095 1.00 6.63 C ATOM 454 CG GLU A 29 -0.196 11.732 -8.104 1.00 7.40 C ATOM 455 CD GLU A 29 0.016 13.202 -8.469 1.00 8.35 C ATOM 456 OE1 GLU A 29 -0.425 14.052 -7.710 1.00 8.53 O ATOM 457 OE2 GLU A 29 0.616 13.455 -9.504 1.00 9.09 O ATOM 0 H GLU A 29 -0.586 9.367 -7.743 1.00 5.08 H new ATOM 0 HA GLU A 29 1.061 9.897 -5.460 1.00 5.75 H new ATOM 0 HB2 GLU A 29 1.300 12.166 -6.602 1.00 6.63 H new ATOM 0 HB3 GLU A 29 1.690 10.790 -7.615 1.00 6.63 H new ATOM 0 HG2 GLU A 29 -0.142 11.113 -9.000 1.00 7.40 H new ATOM 0 HG3 GLU A 29 -1.190 11.592 -7.679 1.00 7.40 H new ATOM 464 N SER A 30 -0.094 12.057 -4.367 1.00 5.67 N ATOM 465 CA SER A 30 -0.916 12.875 -3.429 1.00 5.68 C ATOM 466 C SER A 30 -1.035 14.312 -3.945 1.00 6.20 C ATOM 467 O SER A 30 -0.199 14.794 -4.686 1.00 6.77 O ATOM 468 CB SER A 30 -0.262 12.887 -2.044 1.00 6.35 C ATOM 469 OG SER A 30 1.149 12.749 -2.172 1.00 7.18 O ATOM 0 H SER A 30 0.904 12.268 -4.361 1.00 5.67 H new ATOM 0 HA SER A 30 -1.911 12.435 -3.361 1.00 5.68 H new ATOM 0 HB2 SER A 30 -0.500 13.817 -1.528 1.00 6.35 H new ATOM 0 HB3 SER A 30 -0.662 12.075 -1.437 1.00 6.35 H new ATOM 0 HG SER A 30 1.422 11.867 -1.845 1.00 7.18 H new ATOM 475 N GLY A 31 -2.075 14.994 -3.539 1.00 6.36 N ATOM 476 CA GLY A 31 -2.284 16.409 -3.973 1.00 7.19 C ATOM 477 C GLY A 31 -2.830 17.215 -2.786 1.00 7.66 C ATOM 478 O GLY A 31 -2.630 16.837 -1.646 1.00 7.75 O ATOM 0 H GLY A 31 -2.796 14.627 -2.918 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -1.345 16.839 -4.322 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -2.982 16.448 -4.809 1.00 7.19 H new ATOM 482 N PRO A 32 -3.537 18.282 -3.082 1.00 8.17 N ATOM 483 CA PRO A 32 -4.159 19.128 -2.043 1.00 8.85 C ATOM 484 C PRO A 32 -5.376 18.387 -1.466 1.00 8.11 C ATOM 485 O PRO A 32 -5.680 18.482 -0.292 1.00 8.52 O ATOM 486 CB PRO A 32 -4.567 20.396 -2.802 1.00 9.69 C ATOM 487 CG PRO A 32 -4.663 19.997 -4.293 1.00 9.20 C ATOM 488 CD PRO A 32 -3.788 18.741 -4.468 1.00 8.39 C ATOM 0 HA PRO A 32 -3.507 19.361 -1.201 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -5.522 20.776 -2.439 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -3.833 21.189 -2.658 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -5.696 19.792 -4.574 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -4.313 20.806 -4.934 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -4.299 17.978 -5.055 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -2.857 18.972 -4.986 1.00 8.39 H new ATOM 496 N HIS A 33 -6.044 17.628 -2.301 1.00 7.21 N ATOM 497 CA HIS A 33 -7.225 16.823 -1.865 1.00 6.64 C ATOM 498 C HIS A 33 -6.780 15.783 -0.820 1.00 5.94 C ATOM 499 O HIS A 33 -7.474 15.524 0.145 1.00 6.05 O ATOM 500 CB HIS A 33 -7.827 16.109 -3.091 1.00 6.27 C ATOM 501 CG HIS A 33 -6.778 15.232 -3.744 1.00 5.79 C ATOM 502 ND1 HIS A 33 -5.820 15.744 -4.612 1.00 6.54 N ATOM 503 CD2 HIS A 33 -6.488 13.894 -3.623 1.00 4.91 C ATOM 504 CE1 HIS A 33 -5.003 14.737 -4.960 1.00 6.20 C ATOM 505 NE2 HIS A 33 -5.367 13.585 -4.390 1.00 5.23 N ATOM 0 H HIS A 33 -5.813 17.532 -3.290 1.00 7.21 H new ATOM 0 HA HIS A 33 -7.975 17.476 -1.420 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -8.681 15.504 -2.787 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -8.195 16.844 -3.806 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -7.045 13.189 -3.024 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -4.155 14.845 -5.620 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -4.920 12.674 -4.494 1.00 5.23 H new ATOM 513 N CYS A 34 -5.616 15.203 -1.007 1.00 5.51 N ATOM 514 CA CYS A 34 -5.092 14.200 -0.044 1.00 5.12 C ATOM 515 C CYS A 34 -3.562 14.299 -0.021 1.00 5.54 C ATOM 516 O CYS A 34 -2.887 13.810 -0.908 1.00 5.84 O ATOM 517 CB CYS A 34 -5.516 12.780 -0.453 1.00 4.12 C ATOM 518 SG CYS A 34 -5.942 11.835 1.031 1.00 4.37 S ATOM 0 H CYS A 34 -5.003 15.390 -1.801 1.00 5.51 H new ATOM 0 HA CYS A 34 -5.499 14.403 0.947 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -6.370 12.823 -1.129 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.707 12.287 -0.993 1.00 4.12 H new ATOM 523 N ALA A 35 -3.016 14.945 0.982 1.00 5.90 N ATOM 524 CA ALA A 35 -1.528 15.099 1.072 1.00 6.66 C ATOM 525 C ALA A 35 -0.850 13.733 1.257 1.00 6.33 C ATOM 526 O ALA A 35 0.293 13.550 0.879 1.00 6.77 O ATOM 527 CB ALA A 35 -1.182 16.003 2.259 1.00 7.59 C ATOM 0 H ALA A 35 -3.539 15.374 1.745 1.00 5.90 H new ATOM 0 HA ALA A 35 -1.167 15.545 0.145 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -0.100 16.117 2.327 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -1.641 16.981 2.117 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -1.558 15.555 3.179 1.00 7.59 H new ATOM 533 N ASN A 36 -1.538 12.777 1.837 1.00 5.85 N ATOM 534 CA ASN A 36 -0.930 11.430 2.047 1.00 5.88 C ATOM 535 C ASN A 36 -1.075 10.589 0.773 1.00 5.34 C ATOM 536 O ASN A 36 -2.161 10.426 0.247 1.00 5.26 O ATOM 537 CB ASN A 36 -1.644 10.727 3.204 1.00 6.50 C ATOM 538 CG ASN A 36 -1.012 11.152 4.533 1.00 7.27 C ATOM 539 OD1 ASN A 36 -0.011 10.601 4.946 1.00 7.78 O ATOM 540 ND2 ASN A 36 -1.558 12.116 5.224 1.00 7.61 N ATOM 0 H ASN A 36 -2.496 12.875 2.173 1.00 5.85 H new ATOM 0 HA ASN A 36 0.128 11.545 2.283 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -2.704 10.979 3.197 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -1.573 9.646 3.085 1.00 6.50 H new ATOM 0 HD21 ASN A 36 -1.144 12.406 6.110 1.00 7.61 H new ATOM 0 HD22 ASN A 36 -2.398 12.579 4.878 1.00 7.61 H new ATOM 547 N THR A 37 0.016 10.049 0.281 1.00 5.30 N ATOM 548 CA THR A 37 -0.042 9.204 -0.955 1.00 5.18 C ATOM 549 C THR A 37 -0.691 7.856 -0.609 1.00 4.58 C ATOM 550 O THR A 37 -0.690 7.441 0.537 1.00 4.95 O ATOM 551 CB THR A 37 1.381 8.971 -1.490 1.00 5.98 C ATOM 552 OG1 THR A 37 2.169 10.140 -1.289 1.00 6.76 O ATOM 553 CG2 THR A 37 1.325 8.646 -2.985 1.00 6.31 C ATOM 0 H THR A 37 0.947 10.158 0.684 1.00 5.30 H new ATOM 0 HA THR A 37 -0.631 9.711 -1.719 1.00 5.18 H new ATOM 0 HB THR A 37 1.830 8.135 -0.954 1.00 5.98 H new ATOM 0 HG1 THR A 37 3.075 9.986 -1.630 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.335 8.482 -3.360 1.00 6.31 H new ATOM 0 HG22 THR A 37 0.730 7.746 -3.140 1.00 6.31 H new ATOM 0 HG23 THR A 37 0.870 9.479 -3.522 1.00 6.31 H new ATOM 561 N GLU A 38 -1.250 7.170 -1.580 1.00 3.94 N ATOM 562 CA GLU A 38 -1.899 5.858 -1.283 1.00 3.67 C ATOM 563 C GLU A 38 -1.581 4.851 -2.390 1.00 2.99 C ATOM 564 O GLU A 38 -1.689 5.151 -3.566 1.00 3.33 O ATOM 565 CB GLU A 38 -3.417 6.050 -1.186 1.00 4.35 C ATOM 566 CG GLU A 38 -3.972 5.197 -0.039 1.00 4.96 C ATOM 567 CD GLU A 38 -3.805 5.946 1.286 1.00 5.76 C ATOM 568 OE1 GLU A 38 -2.773 5.777 1.916 1.00 6.28 O ATOM 569 OE2 GLU A 38 -4.712 6.676 1.650 1.00 6.10 O ATOM 0 H GLU A 38 -1.283 7.462 -2.557 1.00 3.94 H new ATOM 0 HA GLU A 38 -1.516 5.477 -0.336 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -3.650 7.101 -1.017 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -3.890 5.766 -2.126 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -5.025 4.976 -0.213 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -3.449 4.242 0.003 1.00 4.96 H new ATOM 576 N ILE A 39 -1.199 3.655 -2.018 1.00 2.48 N ATOM 577 CA ILE A 39 -0.881 2.609 -3.035 1.00 2.38 C ATOM 578 C ILE A 39 -2.155 1.800 -3.323 1.00 2.16 C ATOM 579 O ILE A 39 -3.078 1.788 -2.533 1.00 2.22 O ATOM 580 CB ILE A 39 0.222 1.691 -2.472 1.00 2.57 C ATOM 581 CG1 ILE A 39 1.549 2.462 -2.419 1.00 2.79 C ATOM 582 CG2 ILE A 39 0.395 0.452 -3.360 1.00 3.44 C ATOM 583 CD1 ILE A 39 2.098 2.456 -0.990 1.00 2.94 C ATOM 0 H ILE A 39 -1.094 3.358 -1.048 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.529 3.063 -3.961 1.00 2.38 H new ATOM 0 HB ILE A 39 -0.066 1.372 -1.470 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.271 2.007 -3.097 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.397 3.488 -2.755 1.00 2.79 H new ATOM 0 HG21 ILE A 39 1.178 -0.185 -2.948 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.542 -0.103 -3.397 1.00 3.44 H new ATOM 0 HG23 ILE A 39 0.673 0.762 -4.367 1.00 3.44 H new ATOM 0 HD11 ILE A 39 3.039 3.005 -0.960 1.00 2.94 H new ATOM 0 HD12 ILE A 39 1.379 2.931 -0.322 1.00 2.94 H new ATOM 0 HD13 ILE A 39 2.267 1.428 -0.669 1.00 2.94 H new ATOM 595 N ILE A 40 -2.216 1.125 -4.447 1.00 2.34 N ATOM 596 CA ILE A 40 -3.426 0.307 -4.770 1.00 2.36 C ATOM 597 C ILE A 40 -2.992 -0.931 -5.555 1.00 2.37 C ATOM 598 O ILE A 40 -2.234 -0.844 -6.501 1.00 3.02 O ATOM 599 CB ILE A 40 -4.432 1.110 -5.606 1.00 3.14 C ATOM 600 CG1 ILE A 40 -4.736 2.442 -4.912 1.00 3.44 C ATOM 601 CG2 ILE A 40 -5.727 0.301 -5.745 1.00 3.70 C ATOM 602 CD1 ILE A 40 -5.556 3.335 -5.843 1.00 4.01 C ATOM 0 H ILE A 40 -1.480 1.106 -5.153 1.00 2.34 H new ATOM 0 HA ILE A 40 -3.910 0.019 -3.837 1.00 2.36 H new ATOM 0 HB ILE A 40 -4.011 1.307 -6.592 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -5.285 2.264 -3.987 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -3.806 2.941 -4.640 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.447 0.865 -6.338 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.513 -0.646 -6.240 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -6.143 0.108 -4.756 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -5.770 4.281 -5.345 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -4.991 3.525 -6.756 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.493 2.837 -6.093 1.00 4.01 H new ATOM 614 N VAL A 41 -3.464 -2.080 -5.158 1.00 2.04 N ATOM 615 CA VAL A 41 -3.092 -3.334 -5.853 1.00 2.10 C ATOM 616 C VAL A 41 -4.351 -4.171 -6.106 1.00 2.33 C ATOM 617 O VAL A 41 -5.395 -3.933 -5.526 1.00 2.79 O ATOM 618 CB VAL A 41 -2.120 -4.124 -4.973 1.00 2.21 C ATOM 619 CG1 VAL A 41 -0.808 -3.352 -4.831 1.00 2.87 C ATOM 620 CG2 VAL A 41 -2.725 -4.357 -3.584 1.00 3.20 C ATOM 0 H VAL A 41 -4.100 -2.200 -4.370 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.618 -3.100 -6.806 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.930 -5.088 -5.444 1.00 2.21 H new ATOM 0 HG11 VAL A 41 -0.119 -3.918 -4.204 1.00 2.87 H new ATOM 0 HG12 VAL A 41 -0.364 -3.204 -5.816 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -1.004 -2.383 -4.372 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -2.022 -4.920 -2.971 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.931 -3.397 -3.111 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.653 -4.920 -3.681 1.00 3.20 H new ATOM 630 N LYS A 42 -4.255 -5.151 -6.963 1.00 2.44 N ATOM 631 CA LYS A 42 -5.430 -6.018 -7.256 1.00 2.97 C ATOM 632 C LYS A 42 -5.000 -7.486 -7.166 1.00 2.77 C ATOM 633 O LYS A 42 -4.459 -8.043 -8.105 1.00 2.98 O ATOM 634 CB LYS A 42 -5.962 -5.713 -8.662 1.00 3.77 C ATOM 635 CG LYS A 42 -7.405 -5.211 -8.569 1.00 4.68 C ATOM 636 CD LYS A 42 -8.139 -5.519 -9.877 1.00 5.42 C ATOM 637 CE LYS A 42 -9.467 -4.758 -9.915 1.00 5.72 C ATOM 638 NZ LYS A 42 -9.219 -3.330 -10.271 1.00 6.76 N ATOM 0 H LYS A 42 -3.406 -5.389 -7.476 1.00 2.44 H new ATOM 0 HA LYS A 42 -6.221 -5.824 -6.532 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -5.336 -4.962 -9.143 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -5.918 -6.609 -9.281 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -7.914 -5.690 -7.733 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -7.416 -4.138 -8.377 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -7.521 -5.234 -10.728 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -8.320 -6.591 -9.960 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -10.137 -5.213 -10.644 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -9.961 -4.821 -8.945 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -9.462 -2.723 -9.462 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -8.215 -3.201 -10.511 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -9.807 -3.069 -11.088 1.00 6.76 H new ATOM 652 N LEU A 43 -5.224 -8.109 -6.031 1.00 3.01 N ATOM 653 CA LEU A 43 -4.830 -9.536 -5.844 1.00 3.31 C ATOM 654 C LEU A 43 -5.413 -10.409 -6.959 1.00 3.92 C ATOM 655 O LEU A 43 -6.513 -10.179 -7.435 1.00 4.54 O ATOM 656 CB LEU A 43 -5.359 -10.035 -4.501 1.00 4.01 C ATOM 657 CG LEU A 43 -4.466 -9.525 -3.363 1.00 3.77 C ATOM 658 CD1 LEU A 43 -5.099 -9.880 -2.016 1.00 4.46 C ATOM 659 CD2 LEU A 43 -3.082 -10.176 -3.460 1.00 3.91 C ATOM 0 H LEU A 43 -5.669 -7.680 -5.219 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.742 -9.601 -5.872 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.383 -9.691 -4.353 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.385 -11.125 -4.493 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.364 -8.443 -3.445 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.463 -9.517 -1.208 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -6.082 -9.414 -1.942 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -5.204 -10.962 -1.937 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.451 -9.811 -2.650 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -3.183 -11.259 -3.382 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.627 -9.922 -4.417 1.00 3.91 H new ATOM 671 N SER A 44 -4.669 -11.413 -7.361 1.00 3.99 N ATOM 672 CA SER A 44 -5.122 -12.343 -8.442 1.00 4.72 C ATOM 673 C SER A 44 -6.464 -12.998 -8.078 1.00 5.55 C ATOM 674 O SER A 44 -7.202 -13.424 -8.947 1.00 6.08 O ATOM 675 CB SER A 44 -4.067 -13.433 -8.650 1.00 4.98 C ATOM 676 OG SER A 44 -3.793 -14.076 -7.410 1.00 5.08 O ATOM 0 H SER A 44 -3.749 -11.630 -6.977 1.00 3.99 H new ATOM 0 HA SER A 44 -5.254 -11.768 -9.359 1.00 4.72 H new ATOM 0 HB2 SER A 44 -4.422 -14.162 -9.379 1.00 4.98 H new ATOM 0 HB3 SER A 44 -3.154 -12.997 -9.054 1.00 4.98 H new ATOM 0 HG SER A 44 -3.119 -14.774 -7.546 1.00 5.08 H new ATOM 682 N ASP A 45 -6.790 -13.080 -6.806 1.00 5.91 N ATOM 683 CA ASP A 45 -8.080 -13.701 -6.393 1.00 7.02 C ATOM 684 C ASP A 45 -9.258 -12.739 -6.658 1.00 7.25 C ATOM 685 O ASP A 45 -10.381 -13.017 -6.276 1.00 8.19 O ATOM 686 CB ASP A 45 -8.025 -14.034 -4.897 1.00 7.64 C ATOM 687 CG ASP A 45 -7.096 -15.231 -4.670 1.00 8.01 C ATOM 688 OD1 ASP A 45 -5.901 -15.013 -4.540 1.00 7.89 O ATOM 689 OD2 ASP A 45 -7.596 -16.344 -4.632 1.00 8.63 O ATOM 0 H ASP A 45 -6.211 -12.740 -6.038 1.00 5.91 H new ATOM 0 HA ASP A 45 -8.233 -14.610 -6.975 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -7.667 -13.171 -4.335 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -9.025 -14.262 -4.528 1.00 7.64 H new ATOM 694 N GLY A 46 -9.018 -11.614 -7.299 1.00 6.57 N ATOM 695 CA GLY A 46 -10.119 -10.647 -7.573 1.00 7.07 C ATOM 696 C GLY A 46 -10.334 -9.761 -6.346 1.00 6.74 C ATOM 697 O GLY A 46 -11.447 -9.374 -6.043 1.00 7.17 O ATOM 0 H GLY A 46 -8.101 -11.329 -7.643 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -9.872 -10.033 -8.439 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -11.037 -11.183 -7.814 1.00 7.07 H new ATOM 701 N ARG A 47 -9.279 -9.442 -5.632 1.00 6.21 N ATOM 702 CA ARG A 47 -9.425 -8.588 -4.417 1.00 6.07 C ATOM 703 C ARG A 47 -8.776 -7.220 -4.666 1.00 5.32 C ATOM 704 O ARG A 47 -7.929 -7.075 -5.525 1.00 5.06 O ATOM 705 CB ARG A 47 -8.731 -9.286 -3.241 1.00 6.43 C ATOM 706 CG ARG A 47 -9.274 -8.752 -1.910 1.00 7.27 C ATOM 707 CD ARG A 47 -10.629 -9.399 -1.608 1.00 7.96 C ATOM 708 NE ARG A 47 -11.151 -8.883 -0.310 1.00 8.82 N ATOM 709 CZ ARG A 47 -10.689 -9.356 0.820 1.00 9.62 C ATOM 710 NH1 ARG A 47 -11.040 -10.551 1.221 1.00 10.10 N ATOM 711 NH2 ARG A 47 -9.878 -8.631 1.547 1.00 10.15 N ATOM 0 H ARG A 47 -8.325 -9.738 -5.841 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.481 -8.441 -4.190 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -8.892 -10.362 -3.302 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.655 -9.121 -3.295 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.570 -8.968 -1.106 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -9.380 -7.668 -1.958 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -11.335 -9.179 -2.409 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -10.524 -10.483 -1.564 1.00 7.96 H new ATOM 0 HE ARG A 47 -11.870 -8.160 -0.302 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -11.673 -11.114 0.653 1.00 10.10 H new ATOM 0 HH12 ARG A 47 -10.680 -10.920 2.101 1.00 10.10 H new ATOM 0 HH21 ARG A 47 -9.607 -7.699 1.233 1.00 10.15 H new ATOM 0 HH22 ARG A 47 -9.517 -8.998 2.428 1.00 10.15 H new ATOM 725 N GLU A 48 -9.164 -6.221 -3.913 1.00 5.24 N ATOM 726 CA GLU A 48 -8.568 -4.862 -4.084 1.00 4.73 C ATOM 727 C GLU A 48 -8.085 -4.372 -2.717 1.00 4.69 C ATOM 728 O GLU A 48 -8.868 -4.211 -1.798 1.00 5.44 O ATOM 729 CB GLU A 48 -9.619 -3.898 -4.643 1.00 5.60 C ATOM 730 CG GLU A 48 -8.921 -2.774 -5.416 1.00 5.76 C ATOM 731 CD GLU A 48 -9.942 -2.039 -6.288 1.00 6.79 C ATOM 732 OE1 GLU A 48 -10.149 -2.468 -7.412 1.00 7.44 O ATOM 733 OE2 GLU A 48 -10.498 -1.058 -5.819 1.00 7.12 O ATOM 0 H GLU A 48 -9.873 -6.290 -3.183 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.732 -4.905 -4.782 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -10.306 -4.433 -5.299 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -10.214 -3.480 -3.831 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -8.453 -2.077 -4.721 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -8.126 -3.186 -6.038 1.00 5.76 H new ATOM 740 N LEU A 49 -6.802 -4.153 -2.568 1.00 4.08 N ATOM 741 CA LEU A 49 -6.268 -3.697 -1.248 1.00 4.35 C ATOM 742 C LEU A 49 -5.320 -2.513 -1.436 1.00 3.99 C ATOM 743 O LEU A 49 -4.319 -2.617 -2.112 1.00 3.87 O ATOM 744 CB LEU A 49 -5.478 -4.835 -0.596 1.00 4.67 C ATOM 745 CG LEU A 49 -6.223 -5.373 0.627 1.00 4.92 C ATOM 746 CD1 LEU A 49 -7.211 -6.456 0.194 1.00 5.51 C ATOM 747 CD2 LEU A 49 -5.210 -5.977 1.602 1.00 4.69 C ATOM 0 H LEU A 49 -6.103 -4.270 -3.302 1.00 4.08 H new ATOM 0 HA LEU A 49 -7.110 -3.402 -0.621 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.323 -5.638 -1.317 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.492 -4.478 -0.300 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.767 -4.560 1.109 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.740 -6.837 1.068 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -7.929 -6.033 -0.509 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.670 -7.271 -0.286 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.733 -6.363 2.477 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.673 -6.790 1.112 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.501 -5.209 1.912 1.00 4.69 H new ATOM 759 N CYS A 50 -5.593 -1.407 -0.799 1.00 3.99 N ATOM 760 CA CYS A 50 -4.671 -0.248 -0.906 1.00 3.63 C ATOM 761 C CYS A 50 -3.593 -0.433 0.151 1.00 3.49 C ATOM 762 O CYS A 50 -3.863 -0.898 1.241 1.00 4.14 O ATOM 763 CB CYS A 50 -5.406 1.051 -0.656 1.00 3.72 C ATOM 764 SG CYS A 50 -6.971 1.072 -1.575 1.00 4.64 S ATOM 0 H CYS A 50 -6.413 -1.259 -0.211 1.00 3.99 H new ATOM 0 HA CYS A 50 -4.243 -0.201 -1.908 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -5.600 1.168 0.410 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -4.785 1.893 -0.961 1.00 3.72 H new ATOM 769 N LEU A 51 -2.376 -0.113 -0.167 1.00 2.91 N ATOM 770 CA LEU A 51 -1.277 -0.312 0.806 1.00 2.96 C ATOM 771 C LEU A 51 -0.900 0.995 1.490 1.00 3.35 C ATOM 772 O LEU A 51 -1.102 2.080 0.970 1.00 3.56 O ATOM 773 CB LEU A 51 -0.056 -0.874 0.093 1.00 2.71 C ATOM 774 CG LEU A 51 -0.412 -2.161 -0.669 1.00 2.56 C ATOM 775 CD1 LEU A 51 0.852 -2.990 -0.861 1.00 2.98 C ATOM 776 CD2 LEU A 51 -1.425 -2.998 0.123 1.00 2.61 C ATOM 0 H LEU A 51 -2.094 0.280 -1.065 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.623 -1.013 1.566 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.338 -0.132 -0.602 1.00 2.71 H new ATOM 0 HB3 LEU A 51 0.731 -1.081 0.818 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.847 -1.887 -1.630 1.00 2.56 H new ATOM 0 HD11 LEU A 51 0.608 -3.905 -1.401 1.00 2.98 H new ATOM 0 HD12 LEU A 51 1.581 -2.415 -1.432 1.00 2.98 H new ATOM 0 HD13 LEU A 51 1.272 -3.244 0.112 1.00 2.98 H new ATOM 0 HD21 LEU A 51 -1.663 -3.904 -0.434 1.00 2.61 H new ATOM 0 HD22 LEU A 51 -0.998 -3.268 1.089 1.00 2.61 H new ATOM 0 HD23 LEU A 51 -2.335 -2.418 0.278 1.00 2.61 H new ATOM 788 N ASP A 52 -0.337 0.867 2.659 1.00 3.84 N ATOM 789 CA ASP A 52 0.094 2.049 3.448 1.00 4.35 C ATOM 790 C ASP A 52 1.619 2.195 3.327 1.00 4.47 C ATOM 791 O ASP A 52 2.357 1.341 3.789 1.00 4.73 O ATOM 792 CB ASP A 52 -0.305 1.825 4.915 1.00 4.93 C ATOM 793 CG ASP A 52 -0.046 3.086 5.752 1.00 5.39 C ATOM 794 OD1 ASP A 52 -0.191 4.178 5.226 1.00 5.40 O ATOM 795 OD2 ASP A 52 0.283 2.932 6.915 1.00 5.96 O ATOM 0 H ASP A 52 -0.154 -0.030 3.109 1.00 3.84 H new ATOM 0 HA ASP A 52 -0.381 2.958 3.078 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -1.360 1.556 4.972 1.00 4.93 H new ATOM 0 HB3 ASP A 52 0.260 0.988 5.326 1.00 4.93 H new ATOM 800 N PRO A 53 2.050 3.275 2.709 1.00 4.54 N ATOM 801 CA PRO A 53 3.489 3.546 2.503 1.00 4.96 C ATOM 802 C PRO A 53 4.200 3.879 3.827 1.00 5.21 C ATOM 803 O PRO A 53 5.409 4.020 3.860 1.00 5.67 O ATOM 804 CB PRO A 53 3.500 4.731 1.531 1.00 5.26 C ATOM 805 CG PRO A 53 2.118 5.409 1.655 1.00 5.04 C ATOM 806 CD PRO A 53 1.155 4.331 2.183 1.00 4.55 C ATOM 0 HA PRO A 53 4.028 2.683 2.112 1.00 4.96 H new ATOM 0 HB2 PRO A 53 4.299 5.430 1.779 1.00 5.26 H new ATOM 0 HB3 PRO A 53 3.677 4.394 0.510 1.00 5.26 H new ATOM 0 HG2 PRO A 53 2.161 6.259 2.336 1.00 5.04 H new ATOM 0 HG3 PRO A 53 1.784 5.790 0.690 1.00 5.04 H new ATOM 0 HD2 PRO A 53 0.503 4.726 2.962 1.00 4.55 H new ATOM 0 HD3 PRO A 53 0.510 3.950 1.391 1.00 4.55 H new ATOM 814 N LYS A 54 3.470 3.986 4.915 1.00 5.18 N ATOM 815 CA LYS A 54 4.108 4.284 6.224 1.00 5.61 C ATOM 816 C LYS A 54 5.024 3.120 6.635 1.00 5.02 C ATOM 817 O LYS A 54 5.976 3.311 7.368 1.00 5.42 O ATOM 818 CB LYS A 54 3.026 4.490 7.290 1.00 6.23 C ATOM 819 CG LYS A 54 3.126 5.906 7.863 1.00 7.12 C ATOM 820 CD LYS A 54 1.769 6.321 8.438 1.00 7.85 C ATOM 821 CE LYS A 54 1.939 7.573 9.304 1.00 8.63 C ATOM 822 NZ LYS A 54 1.771 8.793 8.461 1.00 9.56 N ATOM 0 H LYS A 54 2.456 3.878 4.945 1.00 5.18 H new ATOM 0 HA LYS A 54 4.703 5.193 6.133 1.00 5.61 H new ATOM 0 HB2 LYS A 54 2.039 4.333 6.855 1.00 6.23 H new ATOM 0 HB3 LYS A 54 3.143 3.756 8.087 1.00 6.23 H new ATOM 0 HG2 LYS A 54 3.889 5.942 8.641 1.00 7.12 H new ATOM 0 HG3 LYS A 54 3.432 6.604 7.084 1.00 7.12 H new ATOM 0 HD2 LYS A 54 1.065 6.519 7.629 1.00 7.85 H new ATOM 0 HD3 LYS A 54 1.351 5.509 9.033 1.00 7.85 H new ATOM 0 HE2 LYS A 54 1.205 7.572 10.110 1.00 8.63 H new ATOM 0 HE3 LYS A 54 2.924 7.574 9.770 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 1.887 9.641 9.051 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 2.487 8.795 7.707 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 0.822 8.794 8.037 1.00 9.56 H new ATOM 836 N GLU A 55 4.755 1.915 6.165 1.00 4.37 N ATOM 837 CA GLU A 55 5.618 0.760 6.527 1.00 4.14 C ATOM 838 C GLU A 55 6.816 0.710 5.582 1.00 3.84 C ATOM 839 O GLU A 55 6.869 1.408 4.584 1.00 3.83 O ATOM 840 CB GLU A 55 4.828 -0.541 6.381 1.00 4.19 C ATOM 841 CG GLU A 55 3.817 -0.678 7.521 1.00 4.76 C ATOM 842 CD GLU A 55 2.579 0.173 7.230 1.00 5.39 C ATOM 843 OE1 GLU A 55 1.778 -0.244 6.410 1.00 6.13 O ATOM 844 OE2 GLU A 55 2.451 1.224 7.835 1.00 5.43 O ATOM 0 H GLU A 55 3.973 1.694 5.548 1.00 4.37 H new ATOM 0 HA GLU A 55 5.954 0.875 7.558 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.310 -0.554 5.422 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.510 -1.391 6.386 1.00 4.19 H new ATOM 0 HG2 GLU A 55 3.530 -1.723 7.640 1.00 4.76 H new ATOM 0 HG3 GLU A 55 4.272 -0.364 8.461 1.00 4.76 H new ATOM 851 N ASN A 56 7.762 -0.134 5.880 1.00 3.90 N ATOM 852 CA ASN A 56 8.954 -0.270 4.998 1.00 3.93 C ATOM 853 C ASN A 56 8.738 -1.428 4.021 1.00 3.74 C ATOM 854 O ASN A 56 9.419 -1.530 3.020 1.00 3.89 O ATOM 855 CB ASN A 56 10.186 -0.539 5.846 1.00 4.29 C ATOM 856 CG ASN A 56 11.162 0.634 5.719 1.00 4.70 C ATOM 857 OD1 ASN A 56 11.180 1.516 6.552 1.00 4.90 O ATOM 858 ND2 ASN A 56 11.981 0.681 4.702 1.00 5.15 N ATOM 0 H ASN A 56 7.761 -0.739 6.701 1.00 3.90 H new ATOM 0 HA ASN A 56 9.098 0.653 4.437 1.00 3.93 H new ATOM 0 HB2 ASN A 56 9.900 -0.676 6.889 1.00 4.29 H new ATOM 0 HB3 ASN A 56 10.667 -1.462 5.524 1.00 4.29 H new ATOM 0 HD21 ASN A 56 12.635 1.459 4.609 1.00 5.15 H new ATOM 0 HD22 ASN A 56 11.967 -0.060 4.001 1.00 5.15 H new ATOM 865 N TRP A 57 7.791 -2.299 4.298 1.00 3.55 N ATOM 866 CA TRP A 57 7.532 -3.435 3.385 1.00 3.47 C ATOM 867 C TRP A 57 6.663 -2.965 2.223 1.00 3.28 C ATOM 868 O TRP A 57 6.846 -3.385 1.104 1.00 3.48 O ATOM 869 CB TRP A 57 6.852 -4.578 4.150 1.00 3.64 C ATOM 870 CG TRP A 57 5.418 -4.285 4.443 1.00 3.70 C ATOM 871 CD1 TRP A 57 4.961 -3.865 5.629 1.00 4.08 C ATOM 872 CD2 TRP A 57 4.251 -4.403 3.573 1.00 3.51 C ATOM 873 NE1 TRP A 57 3.591 -3.739 5.562 1.00 4.20 N ATOM 874 CE2 TRP A 57 3.106 -4.043 4.314 1.00 3.80 C ATOM 875 CE3 TRP A 57 4.077 -4.781 2.232 1.00 3.27 C ATOM 876 CZ2 TRP A 57 1.831 -4.058 3.751 1.00 3.76 C ATOM 877 CZ3 TRP A 57 2.797 -4.794 1.658 1.00 3.17 C ATOM 878 CH2 TRP A 57 1.675 -4.434 2.416 1.00 3.38 C ATOM 0 H TRP A 57 7.191 -2.261 5.122 1.00 3.55 H new ATOM 0 HA TRP A 57 8.476 -3.807 2.987 1.00 3.47 H new ATOM 0 HB2 TRP A 57 6.922 -5.496 3.566 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.384 -4.754 5.085 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.568 -3.658 6.498 1.00 4.08 H new ATOM 0 HE1 TRP A 57 3.006 -3.453 6.347 1.00 4.20 H new ATOM 0 HE3 TRP A 57 4.934 -5.064 1.639 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 0.971 -3.781 4.343 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.676 -5.084 0.625 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.692 -4.447 1.969 1.00 3.38 H new ATOM 889 N VAL A 58 5.725 -2.091 2.481 1.00 3.02 N ATOM 890 CA VAL A 58 4.853 -1.581 1.381 1.00 2.84 C ATOM 891 C VAL A 58 5.725 -0.830 0.367 1.00 2.99 C ATOM 892 O VAL A 58 5.566 -0.984 -0.828 1.00 3.21 O ATOM 893 CB VAL A 58 3.793 -0.637 1.972 1.00 2.78 C ATOM 894 CG1 VAL A 58 3.310 0.361 0.920 1.00 2.80 C ATOM 895 CG2 VAL A 58 2.600 -1.447 2.468 1.00 2.85 C ATOM 0 H VAL A 58 5.525 -1.709 3.405 1.00 3.02 H new ATOM 0 HA VAL A 58 4.350 -2.409 0.881 1.00 2.84 H new ATOM 0 HB VAL A 58 4.246 -0.092 2.800 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.561 1.019 1.360 1.00 2.80 H new ATOM 0 HG12 VAL A 58 4.153 0.955 0.568 1.00 2.80 H new ATOM 0 HG13 VAL A 58 2.871 -0.179 0.081 1.00 2.80 H new ATOM 0 HG21 VAL A 58 1.852 -0.774 2.886 1.00 2.85 H new ATOM 0 HG22 VAL A 58 2.165 -2.001 1.636 1.00 2.85 H new ATOM 0 HG23 VAL A 58 2.929 -2.146 3.237 1.00 2.85 H new ATOM 905 N GLN A 59 6.648 -0.026 0.838 1.00 3.12 N ATOM 906 CA GLN A 59 7.533 0.727 -0.093 1.00 3.61 C ATOM 907 C GLN A 59 8.579 -0.215 -0.712 1.00 3.90 C ATOM 908 O GLN A 59 9.057 0.023 -1.803 1.00 4.47 O ATOM 909 CB GLN A 59 8.221 1.863 0.662 1.00 3.82 C ATOM 910 CG GLN A 59 9.107 1.274 1.747 1.00 4.33 C ATOM 911 CD GLN A 59 9.812 2.394 2.515 1.00 4.72 C ATOM 912 OE1 GLN A 59 9.228 3.009 3.386 1.00 4.84 O ATOM 913 NE2 GLN A 59 11.053 2.685 2.232 1.00 5.29 N ATOM 0 H GLN A 59 6.823 0.138 1.829 1.00 3.12 H new ATOM 0 HA GLN A 59 6.931 1.148 -0.898 1.00 3.61 H new ATOM 0 HB2 GLN A 59 8.817 2.464 -0.025 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.477 2.526 1.103 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.507 0.675 2.432 1.00 4.33 H new ATOM 0 HG3 GLN A 59 9.845 0.607 1.302 1.00 4.33 H new ATOM 0 HE21 GLN A 59 11.544 2.170 1.501 1.00 5.29 H new ATOM 0 HE22 GLN A 59 11.532 3.428 2.742 1.00 5.29 H new ATOM 922 N ARG A 60 8.920 -1.293 -0.039 1.00 3.65 N ATOM 923 CA ARG A 60 9.914 -2.252 -0.607 1.00 3.97 C ATOM 924 C ARG A 60 9.188 -3.167 -1.589 1.00 3.96 C ATOM 925 O ARG A 60 9.688 -3.473 -2.654 1.00 4.42 O ATOM 926 CB ARG A 60 10.530 -3.092 0.516 1.00 4.07 C ATOM 927 CG ARG A 60 11.952 -3.506 0.125 1.00 4.60 C ATOM 928 CD ARG A 60 12.458 -4.584 1.089 1.00 4.81 C ATOM 929 NE ARG A 60 12.245 -5.931 0.486 1.00 5.26 N ATOM 930 CZ ARG A 60 13.259 -6.737 0.310 1.00 5.84 C ATOM 931 NH1 ARG A 60 13.775 -7.373 1.330 1.00 6.35 N ATOM 932 NH2 ARG A 60 13.758 -6.907 -0.889 1.00 6.25 N ATOM 0 H ARG A 60 8.551 -1.546 0.878 1.00 3.65 H new ATOM 0 HA ARG A 60 10.711 -1.707 -1.113 1.00 3.97 H new ATOM 0 HB2 ARG A 60 10.549 -2.520 1.444 1.00 4.07 H new ATOM 0 HB3 ARG A 60 9.920 -3.977 0.699 1.00 4.07 H new ATOM 0 HG2 ARG A 60 11.963 -3.884 -0.897 1.00 4.60 H new ATOM 0 HG3 ARG A 60 12.614 -2.640 0.152 1.00 4.60 H new ATOM 0 HD2 ARG A 60 13.517 -4.431 1.299 1.00 4.81 H new ATOM 0 HD3 ARG A 60 11.931 -4.512 2.040 1.00 4.81 H new ATOM 0 HE ARG A 60 11.307 -6.224 0.211 1.00 5.26 H new ATOM 0 HH11 ARG A 60 13.386 -7.240 2.264 1.00 6.35 H new ATOM 0 HH12 ARG A 60 14.566 -8.002 1.192 1.00 6.35 H new ATOM 0 HH21 ARG A 60 13.355 -6.411 -1.684 1.00 6.25 H new ATOM 0 HH22 ARG A 60 14.549 -7.536 -1.028 1.00 6.25 H new ATOM 946 N VAL A 61 8.001 -3.593 -1.229 1.00 3.58 N ATOM 947 CA VAL A 61 7.205 -4.478 -2.124 1.00 3.55 C ATOM 948 C VAL A 61 6.821 -3.705 -3.394 1.00 3.25 C ATOM 949 O VAL A 61 6.880 -4.234 -4.488 1.00 3.52 O ATOM 950 CB VAL A 61 5.945 -4.937 -1.374 1.00 3.59 C ATOM 951 CG1 VAL A 61 4.958 -5.582 -2.342 1.00 3.56 C ATOM 952 CG2 VAL A 61 6.333 -5.958 -0.301 1.00 4.31 C ATOM 0 H VAL A 61 7.549 -3.361 -0.344 1.00 3.58 H new ATOM 0 HA VAL A 61 7.791 -5.352 -2.410 1.00 3.55 H new ATOM 0 HB VAL A 61 5.477 -4.069 -0.911 1.00 3.59 H new ATOM 0 HG11 VAL A 61 4.070 -5.902 -1.797 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.673 -4.859 -3.107 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.424 -6.446 -2.815 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.439 -6.284 0.231 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.809 -6.818 -0.772 1.00 4.31 H new ATOM 0 HG23 VAL A 61 7.028 -5.500 0.403 1.00 4.31 H new ATOM 962 N VAL A 62 6.446 -2.453 -3.256 1.00 2.99 N ATOM 963 CA VAL A 62 6.074 -1.640 -4.455 1.00 3.22 C ATOM 964 C VAL A 62 7.337 -1.364 -5.284 1.00 3.80 C ATOM 965 O VAL A 62 7.302 -1.382 -6.501 1.00 4.15 O ATOM 966 CB VAL A 62 5.434 -0.316 -4.004 1.00 3.53 C ATOM 967 CG1 VAL A 62 5.223 0.602 -5.212 1.00 4.40 C ATOM 968 CG2 VAL A 62 4.079 -0.604 -3.349 1.00 3.34 C ATOM 0 H VAL A 62 6.382 -1.962 -2.364 1.00 2.99 H new ATOM 0 HA VAL A 62 5.354 -2.186 -5.065 1.00 3.22 H new ATOM 0 HB VAL A 62 6.095 0.175 -3.290 1.00 3.53 H new ATOM 0 HG11 VAL A 62 4.769 1.537 -4.884 1.00 4.40 H new ATOM 0 HG12 VAL A 62 6.184 0.810 -5.683 1.00 4.40 H new ATOM 0 HG13 VAL A 62 4.565 0.113 -5.930 1.00 4.40 H new ATOM 0 HG21 VAL A 62 3.623 0.333 -3.028 1.00 3.34 H new ATOM 0 HG22 VAL A 62 3.425 -1.098 -4.068 1.00 3.34 H new ATOM 0 HG23 VAL A 62 4.223 -1.252 -2.484 1.00 3.34 H new ATOM 978 N GLU A 63 8.454 -1.117 -4.633 1.00 4.04 N ATOM 979 CA GLU A 63 9.720 -0.849 -5.371 1.00 4.68 C ATOM 980 C GLU A 63 10.168 -2.116 -6.110 1.00 4.70 C ATOM 981 O GLU A 63 10.564 -2.058 -7.258 1.00 5.23 O ATOM 982 CB GLU A 63 10.813 -0.420 -4.384 1.00 5.11 C ATOM 983 CG GLU A 63 10.803 1.104 -4.234 1.00 5.73 C ATOM 984 CD GLU A 63 11.755 1.517 -3.105 1.00 6.00 C ATOM 985 OE1 GLU A 63 12.944 1.608 -3.363 1.00 6.04 O ATOM 986 OE2 GLU A 63 11.278 1.736 -2.004 1.00 6.46 O ATOM 0 H GLU A 63 8.536 -1.091 -3.617 1.00 4.04 H new ATOM 0 HA GLU A 63 9.550 -0.051 -6.093 1.00 4.68 H new ATOM 0 HB2 GLU A 63 10.647 -0.892 -3.415 1.00 5.11 H new ATOM 0 HB3 GLU A 63 11.788 -0.754 -4.738 1.00 5.11 H new ATOM 0 HG2 GLU A 63 11.107 1.573 -5.170 1.00 5.73 H new ATOM 0 HG3 GLU A 63 9.793 1.451 -4.017 1.00 5.73 H new ATOM 993 N LYS A 64 10.108 -3.259 -5.463 1.00 4.35 N ATOM 994 CA LYS A 64 10.527 -4.526 -6.128 1.00 4.71 C ATOM 995 C LYS A 64 9.540 -4.880 -7.251 1.00 4.54 C ATOM 996 O LYS A 64 9.903 -5.515 -8.225 1.00 5.00 O ATOM 997 CB LYS A 64 10.559 -5.661 -5.099 1.00 4.74 C ATOM 998 CG LYS A 64 11.648 -6.667 -5.482 1.00 5.62 C ATOM 999 CD LYS A 64 11.690 -7.794 -4.446 1.00 6.24 C ATOM 1000 CE LYS A 64 12.570 -8.934 -4.965 1.00 7.07 C ATOM 1001 NZ LYS A 64 12.119 -10.225 -4.368 1.00 7.79 N ATOM 0 H LYS A 64 9.785 -3.363 -4.501 1.00 4.35 H new ATOM 0 HA LYS A 64 11.521 -4.392 -6.554 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.754 -5.259 -4.105 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.589 -6.157 -5.058 1.00 4.74 H new ATOM 0 HG2 LYS A 64 11.448 -7.076 -6.472 1.00 5.62 H new ATOM 0 HG3 LYS A 64 12.616 -6.169 -5.533 1.00 5.62 H new ATOM 0 HD2 LYS A 64 12.083 -7.419 -3.501 1.00 6.24 H new ATOM 0 HD3 LYS A 64 10.682 -8.159 -4.250 1.00 6.24 H new ATOM 0 HE2 LYS A 64 12.513 -8.985 -6.052 1.00 7.07 H new ATOM 0 HE3 LYS A 64 13.613 -8.748 -4.709 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 12.718 -10.999 -4.721 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 12.195 -10.174 -3.332 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 11.130 -10.404 -4.634 1.00 7.79 H new ATOM 1015 N PHE A 65 8.298 -4.473 -7.121 1.00 4.02 N ATOM 1016 CA PHE A 65 7.283 -4.776 -8.168 1.00 3.99 C ATOM 1017 C PHE A 65 7.482 -3.842 -9.370 1.00 4.72 C ATOM 1018 O PHE A 65 7.423 -4.267 -10.508 1.00 5.31 O ATOM 1019 CB PHE A 65 5.892 -4.557 -7.571 1.00 3.16 C ATOM 1020 CG PHE A 65 4.878 -5.426 -8.281 1.00 3.02 C ATOM 1021 CD1 PHE A 65 4.943 -6.822 -8.167 1.00 3.45 C ATOM 1022 CD2 PHE A 65 3.871 -4.834 -9.049 1.00 2.97 C ATOM 1023 CE1 PHE A 65 3.999 -7.621 -8.824 1.00 3.48 C ATOM 1024 CE2 PHE A 65 2.928 -5.633 -9.705 1.00 3.10 C ATOM 1025 CZ PHE A 65 2.993 -7.027 -9.593 1.00 3.19 C ATOM 0 H PHE A 65 7.947 -3.940 -6.326 1.00 4.02 H new ATOM 0 HA PHE A 65 7.389 -5.808 -8.503 1.00 3.99 H new ATOM 0 HB2 PHE A 65 5.903 -4.793 -6.507 1.00 3.16 H new ATOM 0 HB3 PHE A 65 5.610 -3.508 -7.662 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.720 -7.280 -7.573 1.00 3.45 H new ATOM 0 HD2 PHE A 65 3.821 -3.759 -9.136 1.00 2.97 H new ATOM 0 HE1 PHE A 65 4.048 -8.696 -8.737 1.00 3.48 H new ATOM 0 HE2 PHE A 65 2.150 -5.174 -10.298 1.00 3.10 H new ATOM 0 HZ PHE A 65 2.266 -7.644 -10.101 1.00 3.19 H new ATOM 1035 N LEU A 66 7.716 -2.574 -9.121 1.00 4.92 N ATOM 1036 CA LEU A 66 7.919 -1.605 -10.245 1.00 5.86 C ATOM 1037 C LEU A 66 9.320 -1.780 -10.844 1.00 6.61 C ATOM 1038 O LEU A 66 9.470 -1.906 -12.045 1.00 7.33 O ATOM 1039 CB LEU A 66 7.762 -0.171 -9.725 1.00 6.18 C ATOM 1040 CG LEU A 66 6.276 0.198 -9.672 1.00 7.14 C ATOM 1041 CD1 LEU A 66 6.079 1.392 -8.737 1.00 7.61 C ATOM 1042 CD2 LEU A 66 5.790 0.565 -11.078 1.00 7.67 C ATOM 0 H LEU A 66 7.775 -2.169 -8.187 1.00 4.92 H new ATOM 0 HA LEU A 66 7.173 -1.797 -11.016 1.00 5.86 H new ATOM 0 HB2 LEU A 66 8.204 -0.083 -8.733 1.00 6.18 H new ATOM 0 HB3 LEU A 66 8.296 0.522 -10.375 1.00 6.18 H new ATOM 0 HG LEU A 66 5.704 -0.652 -9.300 1.00 7.14 H new ATOM 0 HD11 LEU A 66 5.022 1.654 -8.700 1.00 7.61 H new ATOM 0 HD12 LEU A 66 6.424 1.131 -7.736 1.00 7.61 H new ATOM 0 HD13 LEU A 66 6.651 2.243 -9.108 1.00 7.61 H new ATOM 0 HD21 LEU A 66 4.733 0.828 -11.041 1.00 7.67 H new ATOM 0 HD22 LEU A 66 6.362 1.415 -11.450 1.00 7.67 H new ATOM 0 HD23 LEU A 66 5.929 -0.286 -11.745 1.00 7.67 H new ATOM 1054 N LYS A 67 10.341 -1.790 -10.010 1.00 6.57 N ATOM 1055 CA LYS A 67 11.753 -1.957 -10.495 1.00 7.47 C ATOM 1056 C LYS A 67 12.242 -0.664 -11.165 1.00 7.85 C ATOM 1057 O LYS A 67 13.090 0.028 -10.633 1.00 8.14 O ATOM 1058 CB LYS A 67 11.840 -3.129 -11.487 1.00 7.84 C ATOM 1059 CG LYS A 67 13.097 -3.957 -11.198 1.00 8.78 C ATOM 1060 CD LYS A 67 12.690 -5.353 -10.722 1.00 9.42 C ATOM 1061 CE LYS A 67 13.750 -6.371 -11.150 1.00 10.12 C ATOM 1062 NZ LYS A 67 13.287 -7.746 -10.807 1.00 10.40 N ATOM 0 H LYS A 67 10.252 -1.688 -8.999 1.00 6.57 H new ATOM 0 HA LYS A 67 12.391 -2.173 -9.638 1.00 7.47 H new ATOM 0 HB2 LYS A 67 10.952 -3.756 -11.403 1.00 7.84 H new ATOM 0 HB3 LYS A 67 11.868 -2.752 -12.509 1.00 7.84 H new ATOM 0 HG2 LYS A 67 13.711 -4.032 -12.096 1.00 8.78 H new ATOM 0 HG3 LYS A 67 13.703 -3.464 -10.438 1.00 8.78 H new ATOM 0 HD2 LYS A 67 12.581 -5.361 -9.638 1.00 9.42 H new ATOM 0 HD3 LYS A 67 11.721 -5.623 -11.142 1.00 9.42 H new ATOM 0 HE2 LYS A 67 13.931 -6.294 -12.222 1.00 10.12 H new ATOM 0 HE3 LYS A 67 14.695 -6.159 -10.651 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 14.007 -8.438 -11.098 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 13.135 -7.815 -9.780 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 12.395 -7.946 -11.303 1.00 10.40 H new ATOM 1076 N ARG A 68 11.722 -0.332 -12.326 1.00 8.12 N ATOM 1077 CA ARG A 68 12.167 0.913 -13.028 1.00 8.78 C ATOM 1078 C ARG A 68 11.013 1.925 -13.088 1.00 8.99 C ATOM 1079 O ARG A 68 9.890 1.627 -12.721 1.00 8.81 O ATOM 1080 CB ARG A 68 12.612 0.564 -14.454 1.00 9.33 C ATOM 1081 CG ARG A 68 13.884 -0.286 -14.407 1.00 9.61 C ATOM 1082 CD ARG A 68 14.534 -0.311 -15.794 1.00 10.05 C ATOM 1083 NE ARG A 68 15.395 -1.523 -15.923 1.00 10.53 N ATOM 1084 CZ ARG A 68 16.111 -1.704 -17.002 1.00 10.90 C ATOM 1085 NH1 ARG A 68 17.315 -1.199 -17.081 1.00 11.35 N ATOM 1086 NH2 ARG A 68 15.622 -2.393 -18.001 1.00 11.02 N ATOM 0 H ARG A 68 11.008 -0.871 -12.816 1.00 8.12 H new ATOM 0 HA ARG A 68 13.000 1.353 -12.479 1.00 8.78 H new ATOM 0 HB2 ARG A 68 11.820 0.021 -14.969 1.00 9.33 H new ATOM 0 HB3 ARG A 68 12.794 1.477 -15.021 1.00 9.33 H new ATOM 0 HG2 ARG A 68 14.580 0.123 -13.675 1.00 9.61 H new ATOM 0 HG3 ARG A 68 13.645 -1.300 -14.088 1.00 9.61 H new ATOM 0 HD2 ARG A 68 13.765 -0.315 -16.567 1.00 10.05 H new ATOM 0 HD3 ARG A 68 15.131 0.589 -15.943 1.00 10.05 H new ATOM 0 HE ARG A 68 15.425 -2.210 -15.170 1.00 10.53 H new ATOM 0 HH11 ARG A 68 17.696 -0.664 -16.301 1.00 11.35 H new ATOM 0 HH12 ARG A 68 17.873 -1.340 -17.923 1.00 11.35 H new ATOM 0 HH21 ARG A 68 14.684 -2.788 -17.937 1.00 11.02 H new ATOM 0 HH22 ARG A 68 16.179 -2.535 -18.844 1.00 11.02 H new ATOM 1100 N ALA A 69 11.291 3.121 -13.554 1.00 9.61 N ATOM 1101 CA ALA A 69 10.229 4.170 -13.650 1.00 10.14 C ATOM 1102 C ALA A 69 10.356 4.909 -14.993 1.00 10.89 C ATOM 1103 O ALA A 69 11.240 4.630 -15.782 1.00 11.20 O ATOM 1104 CB ALA A 69 10.392 5.164 -12.496 1.00 10.08 C ATOM 0 H ALA A 69 12.214 3.415 -13.873 1.00 9.61 H new ATOM 0 HA ALA A 69 9.246 3.702 -13.589 1.00 10.14 H new ATOM 0 HB1 ALA A 69 9.619 5.930 -12.563 1.00 10.08 H new ATOM 0 HB2 ALA A 69 10.299 4.637 -11.546 1.00 10.08 H new ATOM 0 HB3 ALA A 69 11.374 5.633 -12.556 1.00 10.08 H new ATOM 1110 N GLU A 70 9.477 5.849 -15.257 1.00 11.37 N ATOM 1111 CA GLU A 70 9.544 6.603 -16.547 1.00 12.24 C ATOM 1112 C GLU A 70 10.495 7.799 -16.397 1.00 12.45 C ATOM 1113 O GLU A 70 11.602 7.783 -16.902 1.00 12.32 O ATOM 1114 CB GLU A 70 8.144 7.100 -16.931 1.00 12.79 C ATOM 1115 CG GLU A 70 7.303 5.928 -17.443 1.00 12.48 C ATOM 1116 CD GLU A 70 5.977 6.455 -17.998 1.00 13.18 C ATOM 1117 OE1 GLU A 70 5.043 6.587 -17.223 1.00 13.39 O ATOM 1118 OE2 GLU A 70 5.918 6.717 -19.189 1.00 13.63 O ATOM 0 H GLU A 70 8.718 6.125 -14.634 1.00 11.37 H new ATOM 0 HA GLU A 70 9.917 5.943 -17.330 1.00 12.24 H new ATOM 0 HB2 GLU A 70 7.660 7.557 -16.068 1.00 12.79 H new ATOM 0 HB3 GLU A 70 8.219 7.870 -17.699 1.00 12.79 H new ATOM 0 HG2 GLU A 70 7.846 5.389 -18.219 1.00 12.48 H new ATOM 0 HG3 GLU A 70 7.116 5.221 -16.635 1.00 12.48 H new ATOM 1125 N ASN A 71 10.071 8.835 -15.706 1.00 12.96 N ATOM 1126 CA ASN A 71 10.949 10.036 -15.519 1.00 13.39 C ATOM 1127 C ASN A 71 10.364 10.951 -14.429 1.00 13.77 C ATOM 1128 O ASN A 71 11.081 11.435 -13.574 1.00 13.98 O ATOM 1129 CB ASN A 71 11.077 10.815 -16.841 1.00 13.14 C ATOM 1130 CG ASN A 71 9.691 11.092 -17.442 1.00 12.70 C ATOM 1131 OD1 ASN A 71 9.098 12.119 -17.178 1.00 12.77 O ATOM 1132 ND2 ASN A 71 9.152 10.219 -18.251 1.00 12.41 N ATOM 0 H ASN A 71 9.154 8.899 -15.264 1.00 12.96 H new ATOM 0 HA ASN A 71 11.939 9.700 -15.211 1.00 13.39 H new ATOM 0 HB2 ASN A 71 11.598 11.756 -16.666 1.00 13.14 H new ATOM 0 HB3 ASN A 71 11.679 10.245 -17.549 1.00 13.14 H new ATOM 0 HD21 ASN A 71 8.235 10.400 -18.660 1.00 12.41 H new ATOM 0 HD22 ASN A 71 9.648 9.356 -18.474 1.00 12.41 H new ATOM 1139 N SER A 72 9.071 11.188 -14.450 1.00 14.02 N ATOM 1140 CA SER A 72 8.444 12.067 -13.414 1.00 14.59 C ATOM 1141 C SER A 72 7.183 11.390 -12.854 1.00 15.09 C ATOM 1142 O SER A 72 6.393 10.892 -13.642 1.00 15.38 O ATOM 1143 CB SER A 72 8.074 13.418 -14.039 1.00 14.66 C ATOM 1144 OG SER A 72 7.246 13.212 -15.177 1.00 14.60 O ATOM 1145 OXT SER A 72 7.033 11.380 -11.643 1.00 15.30 O ATOM 0 H SER A 72 8.424 10.809 -15.142 1.00 14.02 H new ATOM 0 HA SER A 72 9.153 12.229 -12.602 1.00 14.59 H new ATOM 0 HB2 SER A 72 7.555 14.037 -13.308 1.00 14.66 H new ATOM 0 HB3 SER A 72 8.977 13.955 -14.328 1.00 14.66 H new ATOM 0 HG SER A 72 7.783 12.845 -15.910 1.00 14.60 H new TER 1151 SER A 72