USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 748 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 Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00536 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 19 LYS NZ :NH3+ -107:sc= -0.228 (180deg=-1.27!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -0.501 K(o=-0.5,f=-3.3) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0437) USER MOD Single : A 56 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.76) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 62 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-5.3!) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.501 USER MOD Single : A 64 GLN : amide:sc= -0.0738 K(o=-0.074,f=-1.6!) USER MOD Single : A 70 SER OG : rot 36:sc= 0.347 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 75 LYS NZ :NH3+ 142:sc= 0.0233 (180deg=-0.83!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 10.948 -6.641 -6.301 1.00 0.00 N ATOM 12 CA LEU A 2 9.527 -6.277 -6.363 1.00 0.00 C ATOM 13 C LEU A 2 8.711 -7.121 -7.353 1.00 0.00 C ATOM 14 O LEU A 2 8.853 -6.977 -8.571 1.00 0.00 O ATOM 15 CB LEU A 2 9.398 -4.783 -6.711 1.00 0.00 C ATOM 16 CG LEU A 2 9.551 -3.834 -5.517 1.00 0.00 C ATOM 17 CD1 LEU A 2 9.639 -2.391 -6.006 1.00 0.00 C ATOM 18 CD2 LEU A 2 8.358 -3.923 -4.570 1.00 0.00 C ATOM 0 HA LEU A 2 9.108 -6.483 -5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.151 -4.531 -7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.424 -4.613 -7.171 1.00 0.00 H new ATOM 0 HG LEU A 2 10.458 -4.129 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.748 -1.723 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 2 10.501 -2.282 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.731 -2.136 -6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.503 -3.236 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.447 -3.656 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.270 -4.941 -4.190 1.00 0.00 H new ATOM 30 N THR A 3 7.829 -7.962 -6.821 1.00 0.00 N ATOM 31 CA THR A 3 6.927 -8.884 -7.506 1.00 0.00 C ATOM 32 C THR A 3 5.482 -8.457 -7.222 1.00 0.00 C ATOM 33 O THR A 3 5.228 -7.843 -6.183 1.00 0.00 O ATOM 34 CB THR A 3 7.221 -10.288 -6.935 1.00 0.00 C ATOM 35 OG1 THR A 3 8.605 -10.564 -7.067 1.00 0.00 O ATOM 36 CG2 THR A 3 6.439 -11.421 -7.592 1.00 0.00 C ATOM 0 H THR A 3 7.717 -8.021 -5.809 1.00 0.00 H new ATOM 0 HA THR A 3 7.069 -8.884 -8.587 1.00 0.00 H new ATOM 0 HB THR A 3 6.902 -10.255 -5.893 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.797 -11.454 -6.704 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.711 -12.368 -7.126 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.371 -11.247 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.676 -11.458 -8.655 1.00 0.00 H new ATOM 44 N THR A 4 4.543 -8.725 -8.134 1.00 0.00 N ATOM 45 CA THR A 4 3.142 -8.375 -7.932 1.00 0.00 C ATOM 46 C THR A 4 2.407 -9.580 -7.335 1.00 0.00 C ATOM 47 O THR A 4 2.782 -10.719 -7.630 1.00 0.00 O ATOM 48 CB THR A 4 2.492 -7.934 -9.259 1.00 0.00 C ATOM 49 OG1 THR A 4 2.788 -8.834 -10.307 1.00 0.00 O ATOM 50 CG2 THR A 4 2.945 -6.544 -9.712 1.00 0.00 C ATOM 0 H THR A 4 4.734 -9.186 -9.023 1.00 0.00 H new ATOM 0 HA THR A 4 3.074 -7.535 -7.241 1.00 0.00 H new ATOM 0 HB THR A 4 1.422 -7.917 -9.054 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.360 -8.526 -11.133 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.454 -6.289 -10.651 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.679 -5.809 -8.952 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.025 -6.542 -9.856 1.00 0.00 H new ATOM 58 N ILE A 5 1.379 -9.354 -6.513 1.00 0.00 N ATOM 59 CA ILE A 5 0.575 -10.421 -5.914 1.00 0.00 C ATOM 60 C ILE A 5 -0.893 -10.149 -6.246 1.00 0.00 C ATOM 61 O ILE A 5 -1.273 -9.006 -6.518 1.00 0.00 O ATOM 62 CB ILE A 5 0.861 -10.684 -4.413 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.165 -9.740 -3.411 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.370 -10.792 -4.130 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.553 -8.271 -3.550 1.00 0.00 C ATOM 0 H ILE A 5 1.079 -8.417 -6.243 1.00 0.00 H new ATOM 0 HA ILE A 5 0.867 -11.374 -6.356 1.00 0.00 H new ATOM 0 HB ILE A 5 0.392 -11.651 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.914 -9.831 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.398 -10.070 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.529 -10.976 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.791 -11.615 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.861 -9.861 -4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.017 -7.681 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.626 -8.162 -3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.294 -7.919 -4.549 1.00 0.00 H new ATOM 77 N SER A 6 -1.706 -11.205 -6.236 1.00 0.00 N ATOM 78 CA SER A 6 -3.126 -11.120 -6.540 1.00 0.00 C ATOM 79 C SER A 6 -3.839 -10.201 -5.529 1.00 0.00 C ATOM 80 O SER A 6 -3.444 -10.157 -4.361 1.00 0.00 O ATOM 81 CB SER A 6 -3.722 -12.532 -6.569 1.00 0.00 C ATOM 82 OG SER A 6 -3.066 -13.353 -7.527 1.00 0.00 O ATOM 0 H SER A 6 -1.391 -12.149 -6.014 1.00 0.00 H new ATOM 0 HA SER A 6 -3.271 -10.674 -7.524 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.637 -12.985 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.785 -12.475 -6.803 1.00 0.00 H new ATOM 0 HG SER A 6 -3.467 -14.247 -7.521 1.00 0.00 H new ATOM 88 N PRO A 7 -4.942 -9.534 -5.916 1.00 0.00 N ATOM 89 CA PRO A 7 -5.665 -8.624 -5.037 1.00 0.00 C ATOM 90 C PRO A 7 -6.088 -9.229 -3.698 1.00 0.00 C ATOM 91 O PRO A 7 -5.837 -8.615 -2.658 1.00 0.00 O ATOM 92 CB PRO A 7 -6.841 -8.063 -5.846 1.00 0.00 C ATOM 93 CG PRO A 7 -6.934 -8.965 -7.074 1.00 0.00 C ATOM 94 CD PRO A 7 -5.518 -9.505 -7.251 1.00 0.00 C ATOM 0 HA PRO A 7 -4.995 -7.823 -4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.765 -8.085 -5.268 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.667 -7.025 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.651 -9.771 -6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.261 -8.409 -7.953 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.531 -10.501 -7.694 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.935 -8.867 -7.916 1.00 0.00 H new ATOM 102 N HIS A 8 -6.722 -10.402 -3.690 1.00 0.00 N ATOM 103 CA HIS A 8 -7.167 -11.017 -2.442 1.00 0.00 C ATOM 104 C HIS A 8 -6.007 -11.594 -1.621 1.00 0.00 C ATOM 105 O HIS A 8 -6.137 -11.771 -0.412 1.00 0.00 O ATOM 106 CB HIS A 8 -8.196 -12.105 -2.767 1.00 0.00 C ATOM 107 CG HIS A 8 -9.154 -12.385 -1.639 1.00 0.00 C ATOM 108 ND1 HIS A 8 -10.398 -11.814 -1.482 1.00 0.00 N ATOM 109 CD2 HIS A 8 -8.982 -13.296 -0.633 1.00 0.00 C ATOM 110 CE1 HIS A 8 -10.954 -12.352 -0.385 1.00 0.00 C ATOM 111 NE2 HIS A 8 -10.142 -13.279 0.144 1.00 0.00 N ATOM 0 H HIS A 8 -6.937 -10.941 -4.529 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.620 -10.242 -1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.763 -11.805 -3.648 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.671 -13.025 -3.023 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.111 -13.913 -0.470 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -11.919 -12.077 0.015 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.335 -13.861 0.959 1.00 0.00 H new ATOM 119 N ASP A 9 -4.881 -11.913 -2.263 1.00 0.00 N ATOM 120 CA ASP A 9 -3.713 -12.485 -1.595 1.00 0.00 C ATOM 121 C ASP A 9 -3.006 -11.456 -0.727 1.00 0.00 C ATOM 122 O ASP A 9 -2.485 -11.805 0.330 1.00 0.00 O ATOM 123 CB ASP A 9 -2.725 -13.057 -2.621 1.00 0.00 C ATOM 124 CG ASP A 9 -2.949 -14.549 -2.830 1.00 0.00 C ATOM 125 OD1 ASP A 9 -2.030 -15.342 -2.517 1.00 0.00 O ATOM 126 OD2 ASP A 9 -4.028 -14.936 -3.330 1.00 0.00 O ATOM 0 H ASP A 9 -4.755 -11.780 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.072 -13.290 -0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.839 -12.533 -3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.704 -12.884 -2.282 1.00 0.00 H new ATOM 131 N ALA A 10 -3.012 -10.186 -1.141 1.00 0.00 N ATOM 132 CA ALA A 10 -2.364 -9.119 -0.394 1.00 0.00 C ATOM 133 C ALA A 10 -2.877 -9.056 1.048 1.00 0.00 C ATOM 134 O ALA A 10 -2.073 -8.907 1.968 1.00 0.00 O ATOM 135 CB ALA A 10 -2.588 -7.788 -1.113 1.00 0.00 C ATOM 0 H ALA A 10 -3.466 -9.875 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.295 -9.324 -0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.103 -6.987 -0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.164 -7.840 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.657 -7.587 -1.182 1.00 0.00 H new ATOM 141 N GLN A 11 -4.200 -9.163 1.235 1.00 0.00 N ATOM 142 CA GLN A 11 -4.840 -9.111 2.544 1.00 0.00 C ATOM 143 C GLN A 11 -4.289 -10.192 3.471 1.00 0.00 C ATOM 144 O GLN A 11 -3.939 -9.900 4.613 1.00 0.00 O ATOM 145 CB GLN A 11 -6.369 -9.195 2.400 1.00 0.00 C ATOM 146 CG GLN A 11 -7.090 -8.356 3.476 1.00 0.00 C ATOM 147 CD GLN A 11 -7.846 -9.181 4.519 1.00 0.00 C ATOM 148 OE1 GLN A 11 -7.369 -10.194 5.020 1.00 0.00 O ATOM 149 NE2 GLN A 11 -9.035 -8.747 4.901 1.00 0.00 N ATOM 0 H GLN A 11 -4.859 -9.290 0.467 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.607 -8.152 3.006 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.661 -8.846 1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.685 -10.235 2.477 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.355 -7.733 3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.792 -7.683 2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.429 -7.904 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.558 -9.255 5.614 1.00 0.00 H new ATOM 158 N GLU A 12 -4.169 -11.416 2.955 1.00 0.00 N ATOM 159 CA GLU A 12 -3.663 -12.564 3.695 1.00 0.00 C ATOM 160 C GLU A 12 -2.254 -12.317 4.204 1.00 0.00 C ATOM 161 O GLU A 12 -1.941 -12.695 5.330 1.00 0.00 O ATOM 162 CB GLU A 12 -3.665 -13.810 2.802 1.00 0.00 C ATOM 163 CG GLU A 12 -3.308 -15.112 3.536 1.00 0.00 C ATOM 164 CD GLU A 12 -4.187 -15.443 4.746 1.00 0.00 C ATOM 165 OE1 GLU A 12 -5.321 -14.939 4.855 1.00 0.00 O ATOM 166 OE2 GLU A 12 -3.736 -16.206 5.631 1.00 0.00 O ATOM 0 H GLU A 12 -4.427 -11.637 1.993 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.319 -12.720 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.652 -13.919 2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.957 -13.660 1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.368 -15.938 2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.271 -15.051 3.867 1.00 0.00 H new ATOM 173 N LEU A 13 -1.389 -11.702 3.394 1.00 0.00 N ATOM 174 CA LEU A 13 -0.021 -11.452 3.822 1.00 0.00 C ATOM 175 C LEU A 13 -0.064 -10.549 5.043 1.00 0.00 C ATOM 176 O LEU A 13 0.564 -10.855 6.052 1.00 0.00 O ATOM 177 CB LEU A 13 0.825 -10.816 2.711 1.00 0.00 C ATOM 178 CG LEU A 13 1.006 -11.671 1.441 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.726 -10.849 0.366 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.804 -12.951 1.722 1.00 0.00 C ATOM 0 H LEU A 13 -1.611 -11.375 2.454 1.00 0.00 H new ATOM 0 HA LEU A 13 0.453 -12.403 4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.367 -9.868 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.810 -10.585 3.116 1.00 0.00 H new ATOM 0 HG LEU A 13 0.015 -11.963 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.853 -11.455 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.134 -9.966 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.703 -10.541 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.908 -13.524 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.792 -12.688 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.279 -13.551 2.465 1.00 0.00 H new ATOM 192 N ILE A 14 -0.818 -9.448 4.971 1.00 0.00 N ATOM 193 CA ILE A 14 -0.938 -8.491 6.066 1.00 0.00 C ATOM 194 C ILE A 14 -1.497 -9.189 7.309 1.00 0.00 C ATOM 195 O ILE A 14 -0.990 -8.972 8.413 1.00 0.00 O ATOM 196 CB ILE A 14 -1.763 -7.266 5.623 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.158 -6.561 4.384 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.834 -6.233 6.751 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.261 -6.087 3.432 1.00 0.00 C ATOM 0 H ILE A 14 -1.363 -9.198 4.146 1.00 0.00 H new ATOM 0 HA ILE A 14 0.046 -8.109 6.338 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.754 -7.644 5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.556 -5.710 4.703 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.490 -7.245 3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.420 -5.375 6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.306 -6.681 7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.827 -5.907 7.010 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.811 -5.595 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.845 -6.944 3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.913 -5.384 3.951 1.00 0.00 H new ATOM 211 N ALA A 15 -2.498 -10.056 7.139 1.00 0.00 N ATOM 212 CA ALA A 15 -3.113 -10.794 8.230 1.00 0.00 C ATOM 213 C ALA A 15 -2.111 -11.746 8.890 1.00 0.00 C ATOM 214 O ALA A 15 -2.086 -11.851 10.120 1.00 0.00 O ATOM 215 CB ALA A 15 -4.324 -11.571 7.708 1.00 0.00 C ATOM 0 H ALA A 15 -2.905 -10.263 6.227 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.441 -10.082 8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.783 -12.123 8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.050 -10.874 7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.003 -12.269 6.935 1.00 0.00 H new ATOM 221 N ARG A 16 -1.260 -12.414 8.108 1.00 0.00 N ATOM 222 CA ARG A 16 -0.270 -13.350 8.634 1.00 0.00 C ATOM 223 C ARG A 16 0.889 -12.628 9.304 1.00 0.00 C ATOM 224 O ARG A 16 1.298 -13.018 10.397 1.00 0.00 O ATOM 225 CB ARG A 16 0.275 -14.248 7.519 1.00 0.00 C ATOM 226 CG ARG A 16 -0.760 -15.237 6.973 1.00 0.00 C ATOM 227 CD ARG A 16 -0.057 -15.987 5.841 1.00 0.00 C ATOM 228 NE ARG A 16 -0.875 -17.067 5.277 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.093 -18.282 5.786 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.577 -18.649 6.957 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.840 -19.130 5.078 1.00 0.00 N ATOM 0 H ARG A 16 -1.240 -12.320 7.093 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.777 -13.961 9.381 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.635 -13.622 6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.133 -14.804 7.897 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.093 -15.924 7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.645 -14.716 6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.201 -15.282 5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.879 -16.404 6.214 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.333 -16.865 4.388 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.000 -17.996 7.487 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.759 -19.583 7.324 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.224 -18.842 4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.027 -20.066 5.436 1.00 0.00 H new ATOM 245 N GLY A 17 1.426 -11.587 8.669 1.00 0.00 N ATOM 246 CA GLY A 17 2.550 -10.853 9.226 1.00 0.00 C ATOM 247 C GLY A 17 3.184 -9.844 8.278 1.00 0.00 C ATOM 248 O GLY A 17 4.401 -9.675 8.328 1.00 0.00 O ATOM 0 H GLY A 17 1.098 -11.237 7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.216 -10.329 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.313 -11.566 9.539 1.00 0.00 H new ATOM 252 N ALA A 18 2.428 -9.217 7.372 1.00 0.00 N ATOM 253 CA ALA A 18 2.957 -8.216 6.448 1.00 0.00 C ATOM 254 C ALA A 18 2.353 -6.846 6.776 1.00 0.00 C ATOM 255 O ALA A 18 1.566 -6.703 7.715 1.00 0.00 O ATOM 256 CB ALA A 18 2.734 -8.633 4.989 1.00 0.00 C ATOM 0 H ALA A 18 1.429 -9.392 7.260 1.00 0.00 H new ATOM 0 HA ALA A 18 4.037 -8.140 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.138 -7.868 4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.239 -9.580 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.666 -8.747 4.802 1.00 0.00 H new ATOM 262 N LYS A 19 2.711 -5.827 5.995 1.00 0.00 N ATOM 263 CA LYS A 19 2.243 -4.449 6.139 1.00 0.00 C ATOM 264 C LYS A 19 1.790 -3.932 4.781 1.00 0.00 C ATOM 265 O LYS A 19 2.266 -4.406 3.753 1.00 0.00 O ATOM 266 CB LYS A 19 3.386 -3.581 6.702 1.00 0.00 C ATOM 267 CG LYS A 19 3.096 -2.994 8.085 1.00 0.00 C ATOM 268 CD LYS A 19 2.008 -1.914 8.016 1.00 0.00 C ATOM 269 CE LYS A 19 1.522 -1.439 9.391 1.00 0.00 C ATOM 270 NZ LYS A 19 2.580 -1.192 10.384 1.00 0.00 N ATOM 0 H LYS A 19 3.359 -5.943 5.216 1.00 0.00 H new ATOM 0 HA LYS A 19 1.400 -4.405 6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.293 -4.183 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.586 -2.766 6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.780 -3.789 8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.009 -2.567 8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.393 -1.058 7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.158 -2.302 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.950 -0.520 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.837 -2.185 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.570 -1.949 11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.505 -1.175 9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.413 -0.277 10.849 1.00 0.00 H new ATOM 284 N LEU A 20 0.928 -2.919 4.765 1.00 0.00 N ATOM 285 CA LEU A 20 0.406 -2.310 3.545 1.00 0.00 C ATOM 286 C LEU A 20 0.764 -0.836 3.577 1.00 0.00 C ATOM 287 O LEU A 20 0.344 -0.122 4.493 1.00 0.00 O ATOM 288 CB LEU A 20 -1.108 -2.535 3.454 1.00 0.00 C ATOM 289 CG LEU A 20 -1.723 -2.302 2.059 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.061 -3.097 0.925 1.00 0.00 C ATOM 291 CD2 LEU A 20 -3.222 -2.637 2.104 1.00 0.00 C ATOM 0 H LEU A 20 0.566 -2.490 5.616 1.00 0.00 H new ATOM 0 HA LEU A 20 0.845 -2.764 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.327 -3.557 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.601 -1.873 4.166 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.551 -1.251 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.559 -2.870 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.008 -2.823 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.145 -4.164 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.661 -2.474 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.353 -3.680 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.717 -1.995 2.833 1.00 0.00 H new ATOM 303 N ILE A 21 1.558 -0.382 2.610 1.00 0.00 N ATOM 304 CA ILE A 21 2.010 0.996 2.511 1.00 0.00 C ATOM 305 C ILE A 21 1.366 1.636 1.281 1.00 0.00 C ATOM 306 O ILE A 21 1.436 1.114 0.159 1.00 0.00 O ATOM 307 CB ILE A 21 3.565 1.033 2.503 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.174 1.010 3.923 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.125 2.284 1.807 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.814 -0.217 4.761 1.00 0.00 C ATOM 0 H ILE A 21 1.910 -0.977 1.860 1.00 0.00 H new ATOM 0 HA ILE A 21 1.699 1.584 3.374 1.00 0.00 H new ATOM 0 HB ILE A 21 3.845 0.133 1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.259 1.067 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.849 1.903 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.214 2.257 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.785 2.307 0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.773 3.176 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.288 -0.141 5.740 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.732 -0.268 4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.165 -1.118 4.257 1.00 0.00 H new ATOM 322 N ASP A 22 0.679 2.755 1.498 1.00 0.00 N ATOM 323 CA ASP A 22 0.038 3.531 0.451 1.00 0.00 C ATOM 324 C ASP A 22 0.976 4.687 0.168 1.00 0.00 C ATOM 325 O ASP A 22 1.282 5.472 1.071 1.00 0.00 O ATOM 326 CB ASP A 22 -1.335 4.047 0.842 1.00 0.00 C ATOM 327 CG ASP A 22 -2.059 4.403 -0.445 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.029 3.693 -0.803 1.00 0.00 O ATOM 329 OD2 ASP A 22 -1.635 5.334 -1.150 1.00 0.00 O ATOM 0 H ASP A 22 0.552 3.152 2.429 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.134 2.903 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.887 3.290 1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.249 4.919 1.490 1.00 0.00 H new ATOM 334 N ILE A 23 1.444 4.759 -1.074 1.00 0.00 N ATOM 335 CA ILE A 23 2.387 5.767 -1.525 1.00 0.00 C ATOM 336 C ILE A 23 1.739 6.905 -2.327 1.00 0.00 C ATOM 337 O ILE A 23 2.473 7.679 -2.947 1.00 0.00 O ATOM 338 CB ILE A 23 3.557 5.057 -2.248 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.116 4.457 -3.596 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.167 3.956 -1.361 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.199 3.654 -4.324 1.00 0.00 C ATOM 0 H ILE A 23 1.171 4.104 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 23 2.789 6.292 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 23 4.315 5.815 -2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.255 3.810 -3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.783 5.266 -4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.987 3.473 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.543 4.399 -0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.403 3.216 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.798 3.270 -5.262 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.053 4.299 -4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.517 2.821 -3.697 1.00 0.00 H new ATOM 353 N ARG A 24 0.401 7.014 -2.358 1.00 0.00 N ATOM 354 CA ARG A 24 -0.313 8.058 -3.099 1.00 0.00 C ATOM 355 C ARG A 24 -0.048 9.430 -2.481 1.00 0.00 C ATOM 356 O ARG A 24 0.951 10.046 -2.845 1.00 0.00 O ATOM 357 CB ARG A 24 -1.810 7.731 -3.202 1.00 0.00 C ATOM 358 CG ARG A 24 -2.078 6.455 -4.013 1.00 0.00 C ATOM 359 CD ARG A 24 -3.566 6.105 -3.989 1.00 0.00 C ATOM 360 NE ARG A 24 -4.043 5.722 -2.658 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.324 5.547 -2.324 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.284 6.227 -2.938 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.647 4.692 -1.367 1.00 0.00 N ATOM 0 H ARG A 24 -0.218 6.372 -1.863 1.00 0.00 H new ATOM 0 HA ARG A 24 0.068 8.091 -4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.223 7.614 -2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.331 8.569 -3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.749 6.596 -5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.498 5.628 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.141 6.961 -4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.752 5.287 -4.685 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.343 5.578 -1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.047 6.892 -3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.259 6.084 -2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.918 4.167 -0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.625 4.558 -1.112 1.00 0.00 H new ATOM 377 N ASP A 25 -0.900 9.949 -1.592 1.00 0.00 N ATOM 378 CA ASP A 25 -0.717 11.254 -0.952 1.00 0.00 C ATOM 379 C ASP A 25 -1.403 11.253 0.410 1.00 0.00 C ATOM 380 O ASP A 25 -2.364 10.516 0.627 1.00 0.00 O ATOM 381 CB ASP A 25 -1.217 12.409 -1.838 1.00 0.00 C ATOM 382 CG ASP A 25 -0.091 12.895 -2.753 1.00 0.00 C ATOM 383 OD1 ASP A 25 0.924 13.414 -2.230 1.00 0.00 O ATOM 384 OD2 ASP A 25 -0.176 12.709 -3.994 1.00 0.00 O ATOM 0 H ASP A 25 -1.748 9.467 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 25 0.351 11.421 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.065 12.077 -2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.569 13.230 -1.214 1.00 0.00 H new ATOM 389 N ALA A 26 -0.918 12.112 1.309 1.00 0.00 N ATOM 390 CA ALA A 26 -1.382 12.264 2.681 1.00 0.00 C ATOM 391 C ALA A 26 -2.868 12.600 2.849 1.00 0.00 C ATOM 392 O ALA A 26 -3.599 11.836 3.476 1.00 0.00 O ATOM 393 CB ALA A 26 -0.489 13.294 3.383 1.00 0.00 C ATOM 0 H ALA A 26 -0.154 12.749 1.085 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.297 11.283 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.821 13.422 4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.544 12.945 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.554 14.248 2.860 1.00 0.00 H new ATOM 399 N ASP A 27 -3.329 13.740 2.330 1.00 0.00 N ATOM 400 CA ASP A 27 -4.726 14.182 2.458 1.00 0.00 C ATOM 401 C ASP A 27 -5.723 13.199 1.860 1.00 0.00 C ATOM 402 O ASP A 27 -6.847 13.087 2.354 1.00 0.00 O ATOM 403 CB ASP A 27 -4.916 15.532 1.771 1.00 0.00 C ATOM 404 CG ASP A 27 -4.413 16.711 2.591 1.00 0.00 C ATOM 405 OD1 ASP A 27 -4.330 16.636 3.839 1.00 0.00 O ATOM 406 OD2 ASP A 27 -4.186 17.773 1.971 1.00 0.00 O ATOM 0 H ASP A 27 -2.743 14.389 1.805 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.922 14.253 3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.396 15.519 0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.975 15.675 1.557 1.00 0.00 H new ATOM 411 N GLU A 28 -5.330 12.496 0.799 1.00 0.00 N ATOM 412 CA GLU A 28 -6.176 11.510 0.145 1.00 0.00 C ATOM 413 C GLU A 28 -6.420 10.316 1.080 1.00 0.00 C ATOM 414 O GLU A 28 -7.416 9.608 0.926 1.00 0.00 O ATOM 415 CB GLU A 28 -5.509 11.072 -1.166 1.00 0.00 C ATOM 416 CG GLU A 28 -5.830 12.049 -2.306 1.00 0.00 C ATOM 417 CD GLU A 28 -7.207 11.774 -2.921 1.00 0.00 C ATOM 418 OE1 GLU A 28 -8.144 12.591 -2.746 1.00 0.00 O ATOM 419 OE2 GLU A 28 -7.369 10.723 -3.591 1.00 0.00 O ATOM 0 H GLU A 28 -4.410 12.598 0.370 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.148 11.946 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.430 11.014 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.850 10.072 -1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.798 13.071 -1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.065 11.970 -3.078 1.00 0.00 H new ATOM 426 N TYR A 29 -5.533 10.097 2.052 1.00 0.00 N ATOM 427 CA TYR A 29 -5.605 9.025 3.032 1.00 0.00 C ATOM 428 C TYR A 29 -6.359 9.432 4.300 1.00 0.00 C ATOM 429 O TYR A 29 -6.683 8.588 5.135 1.00 0.00 O ATOM 430 CB TYR A 29 -4.172 8.597 3.374 1.00 0.00 C ATOM 431 CG TYR A 29 -3.999 7.105 3.241 1.00 0.00 C ATOM 432 CD1 TYR A 29 -3.712 6.295 4.355 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.221 6.525 1.982 1.00 0.00 C ATOM 434 CE1 TYR A 29 -3.664 4.899 4.205 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.233 5.134 1.851 1.00 0.00 C ATOM 436 CZ TYR A 29 -3.944 4.313 2.957 1.00 0.00 C ATOM 437 OH TYR A 29 -4.006 2.962 2.845 1.00 0.00 O ATOM 0 H TYR A 29 -4.712 10.690 2.179 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.167 8.197 2.600 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.471 9.107 2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.932 8.904 4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.530 6.744 5.320 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.382 7.152 1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.412 4.275 5.049 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.465 4.686 0.896 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.210 2.720 1.918 1.00 0.00 H new ATOM 447 N LEU A 30 -6.636 10.724 4.459 1.00 0.00 N ATOM 448 CA LEU A 30 -7.349 11.269 5.606 1.00 0.00 C ATOM 449 C LEU A 30 -8.845 10.959 5.535 1.00 0.00 C ATOM 450 O LEU A 30 -9.480 10.665 6.543 1.00 0.00 O ATOM 451 CB LEU A 30 -7.161 12.790 5.586 1.00 0.00 C ATOM 452 CG LEU A 30 -7.590 13.485 6.886 1.00 0.00 C ATOM 453 CD1 LEU A 30 -6.518 13.314 7.964 1.00 0.00 C ATOM 454 CD2 LEU A 30 -7.806 14.969 6.590 1.00 0.00 C ATOM 0 H LEU A 30 -6.364 11.434 3.779 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.955 10.821 6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.112 13.014 5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.733 13.206 4.757 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.513 13.038 7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.839 13.813 8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.368 12.253 8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.582 13.754 7.620 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.112 15.481 7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.877 15.406 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.583 15.080 5.834 1.00 0.00 H new ATOM 466 N ARG A 31 -9.405 11.070 4.330 1.00 0.00 N ATOM 467 CA ARG A 31 -10.818 10.853 4.049 1.00 0.00 C ATOM 468 C ARG A 31 -11.274 9.420 4.269 1.00 0.00 C ATOM 469 O ARG A 31 -11.993 9.132 5.222 1.00 0.00 O ATOM 470 CB ARG A 31 -11.139 11.310 2.623 1.00 0.00 C ATOM 471 CG ARG A 31 -11.079 12.836 2.523 1.00 0.00 C ATOM 472 CD ARG A 31 -11.545 13.329 1.154 1.00 0.00 C ATOM 473 NE ARG A 31 -10.431 13.542 0.214 1.00 0.00 N ATOM 474 CZ ARG A 31 -9.793 14.689 -0.064 1.00 0.00 C ATOM 475 NH1 ARG A 31 -10.113 15.831 0.547 1.00 0.00 N ATOM 476 NH2 ARG A 31 -8.819 14.699 -0.971 1.00 0.00 N ATOM 0 H ARG A 31 -8.868 11.321 3.500 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.376 11.453 4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.430 10.866 1.924 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.131 10.960 2.337 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.703 13.277 3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.058 13.173 2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.239 12.604 0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.094 14.262 1.277 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.105 12.716 -0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.858 15.845 1.243 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.613 16.690 0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.561 13.837 -1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.331 15.569 -1.186 1.00 0.00 H new ATOM 490 N GLU A 32 -10.872 8.524 3.376 1.00 0.00 N ATOM 491 CA GLU A 32 -11.250 7.122 3.379 1.00 0.00 C ATOM 492 C GLU A 32 -10.066 6.257 2.958 1.00 0.00 C ATOM 493 O GLU A 32 -9.596 6.390 1.825 1.00 0.00 O ATOM 494 CB GLU A 32 -12.465 6.960 2.436 1.00 0.00 C ATOM 495 CG GLU A 32 -12.316 7.598 1.035 1.00 0.00 C ATOM 496 CD GLU A 32 -13.621 7.735 0.246 1.00 0.00 C ATOM 497 OE1 GLU A 32 -14.655 8.189 0.801 1.00 0.00 O ATOM 498 OE2 GLU A 32 -13.630 7.358 -0.951 1.00 0.00 O ATOM 0 H GLU A 32 -10.252 8.766 2.603 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.532 6.791 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.665 5.896 2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.339 7.394 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.871 8.587 1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.617 6.999 0.452 1.00 0.00 H new ATOM 505 N HIS A 33 -9.586 5.378 3.843 1.00 0.00 N ATOM 506 CA HIS A 33 -8.466 4.492 3.546 1.00 0.00 C ATOM 507 C HIS A 33 -8.733 3.036 3.962 1.00 0.00 C ATOM 508 O HIS A 33 -9.859 2.688 4.340 1.00 0.00 O ATOM 509 CB HIS A 33 -7.143 5.093 4.043 1.00 0.00 C ATOM 510 CG HIS A 33 -6.730 4.860 5.488 1.00 0.00 C ATOM 511 ND1 HIS A 33 -5.975 3.803 5.958 1.00 0.00 N ATOM 512 CD2 HIS A 33 -6.901 5.721 6.542 1.00 0.00 C ATOM 513 CE1 HIS A 33 -5.686 4.020 7.249 1.00 0.00 C ATOM 514 NE2 HIS A 33 -6.244 5.173 7.659 1.00 0.00 N ATOM 0 H HIS A 33 -9.965 5.264 4.783 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.357 4.422 2.464 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.346 4.709 3.406 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.189 6.170 3.882 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.685 2.991 5.413 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.444 6.654 6.519 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.092 3.365 7.869 1.00 0.00 H new ATOM 522 N ILE A 34 -7.724 2.168 3.807 1.00 0.00 N ATOM 523 CA ILE A 34 -7.784 0.741 4.129 1.00 0.00 C ATOM 524 C ILE A 34 -7.297 0.530 5.571 1.00 0.00 C ATOM 525 O ILE A 34 -6.227 1.038 5.916 1.00 0.00 O ATOM 526 CB ILE A 34 -6.944 -0.075 3.126 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.469 0.179 1.697 1.00 0.00 C ATOM 528 CG2 ILE A 34 -7.002 -1.577 3.468 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.591 -0.466 0.639 1.00 0.00 C ATOM 0 H ILE A 34 -6.815 2.452 3.442 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.813 0.390 4.051 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.903 0.242 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.484 -0.209 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.522 1.253 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.403 -2.137 2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.608 -1.737 4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.036 -1.920 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.001 -0.259 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.582 -0.059 0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.559 -1.543 0.800 1.00 0.00 H new ATOM 541 N PRO A 35 -8.005 -0.273 6.387 1.00 0.00 N ATOM 542 CA PRO A 35 -7.656 -0.521 7.786 1.00 0.00 C ATOM 543 C PRO A 35 -6.356 -1.300 7.960 1.00 0.00 C ATOM 544 O PRO A 35 -5.633 -1.116 8.937 1.00 0.00 O ATOM 545 CB PRO A 35 -8.842 -1.297 8.371 1.00 0.00 C ATOM 546 CG PRO A 35 -9.531 -1.922 7.159 1.00 0.00 C ATOM 547 CD PRO A 35 -9.254 -0.926 6.044 1.00 0.00 C ATOM 0 HA PRO A 35 -7.478 0.424 8.300 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.508 -2.060 9.074 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.518 -0.637 8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.124 -2.907 6.929 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.600 -2.051 7.327 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.178 -1.431 5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.063 -0.200 5.960 1.00 0.00 H new ATOM 555 N GLU A 36 -6.048 -2.161 6.999 1.00 0.00 N ATOM 556 CA GLU A 36 -4.860 -3.001 6.980 1.00 0.00 C ATOM 557 C GLU A 36 -3.579 -2.219 6.643 1.00 0.00 C ATOM 558 O GLU A 36 -2.500 -2.812 6.616 1.00 0.00 O ATOM 559 CB GLU A 36 -5.067 -4.163 6.002 1.00 0.00 C ATOM 560 CG GLU A 36 -6.282 -5.005 6.397 1.00 0.00 C ATOM 561 CD GLU A 36 -6.207 -5.669 7.776 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.104 -5.839 8.341 1.00 0.00 O ATOM 563 OE2 GLU A 36 -7.285 -6.051 8.282 1.00 0.00 O ATOM 0 H GLU A 36 -6.642 -2.298 6.181 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.718 -3.392 7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.203 -3.774 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.176 -4.791 5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.167 -4.370 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.422 -5.783 5.646 1.00 0.00 H new ATOM 570 N ALA A 37 -3.679 -0.915 6.362 1.00 0.00 N ATOM 571 CA ALA A 37 -2.563 -0.053 6.005 1.00 0.00 C ATOM 572 C ALA A 37 -2.326 1.053 7.028 1.00 0.00 C ATOM 573 O ALA A 37 -3.134 1.258 7.937 1.00 0.00 O ATOM 574 CB ALA A 37 -2.873 0.565 4.640 1.00 0.00 C ATOM 0 H ALA A 37 -4.571 -0.421 6.379 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.653 -0.652 5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.053 1.219 4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.992 -0.227 3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.794 1.144 4.703 1.00 0.00 H new ATOM 580 N ASP A 38 -1.212 1.772 6.863 1.00 0.00 N ATOM 581 CA ASP A 38 -0.842 2.892 7.746 1.00 0.00 C ATOM 582 C ASP A 38 -0.897 4.197 6.953 1.00 0.00 C ATOM 583 O ASP A 38 -1.993 4.727 6.816 1.00 0.00 O ATOM 584 CB ASP A 38 0.504 2.651 8.423 1.00 0.00 C ATOM 585 CG ASP A 38 0.816 3.630 9.563 1.00 0.00 C ATOM 586 OD1 ASP A 38 1.787 3.340 10.301 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.112 4.649 9.720 1.00 0.00 O ATOM 0 H ASP A 38 -0.539 1.598 6.116 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.561 2.969 8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.524 1.634 8.816 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.293 2.719 7.674 1.00 0.00 H new ATOM 592 N LEU A 39 0.215 4.687 6.383 1.00 0.00 N ATOM 593 CA LEU A 39 0.366 5.906 5.571 1.00 0.00 C ATOM 594 C LEU A 39 1.861 6.170 5.369 1.00 0.00 C ATOM 595 O LEU A 39 2.595 6.243 6.357 1.00 0.00 O ATOM 596 CB LEU A 39 -0.275 7.145 6.234 1.00 0.00 C ATOM 597 CG LEU A 39 -0.018 8.466 5.485 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.563 8.426 4.053 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.656 9.634 6.240 1.00 0.00 C ATOM 0 H LEU A 39 1.106 4.201 6.486 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.146 5.742 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.351 6.987 6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.106 7.237 7.251 1.00 0.00 H new ATOM 0 HG LEU A 39 1.062 8.604 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.361 9.377 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.078 7.621 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.639 8.252 4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.467 10.562 5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.731 9.472 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.225 9.701 7.239 1.00 0.00 H new ATOM 611 N ALA A 40 2.320 6.306 4.123 1.00 0.00 N ATOM 612 CA ALA A 40 3.715 6.583 3.752 1.00 0.00 C ATOM 613 C ALA A 40 3.741 7.066 2.286 1.00 0.00 C ATOM 614 O ALA A 40 4.134 6.303 1.402 1.00 0.00 O ATOM 615 CB ALA A 40 4.587 5.341 4.014 1.00 0.00 C ATOM 0 H ALA A 40 1.708 6.223 3.311 1.00 0.00 H new ATOM 0 HA ALA A 40 4.141 7.377 4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.619 5.556 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.542 5.082 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.218 4.505 3.420 1.00 0.00 H new ATOM 621 N PRO A 41 3.309 8.314 2.012 1.00 0.00 N ATOM 622 CA PRO A 41 3.255 8.863 0.664 1.00 0.00 C ATOM 623 C PRO A 41 4.644 9.091 0.076 1.00 0.00 C ATOM 624 O PRO A 41 5.583 9.466 0.785 1.00 0.00 O ATOM 625 CB PRO A 41 2.449 10.158 0.777 1.00 0.00 C ATOM 626 CG PRO A 41 2.685 10.605 2.212 1.00 0.00 C ATOM 627 CD PRO A 41 2.847 9.299 2.979 1.00 0.00 C ATOM 0 HA PRO A 41 2.781 8.166 -0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.792 10.907 0.063 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.390 9.990 0.579 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.574 11.230 2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.847 11.190 2.591 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.564 9.412 3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.902 8.991 3.427 1.00 0.00 H new ATOM 635 N LEU A 42 4.757 8.940 -1.249 1.00 0.00 N ATOM 636 CA LEU A 42 6.018 9.109 -1.967 1.00 0.00 C ATOM 637 C LEU A 42 6.652 10.468 -1.685 1.00 0.00 C ATOM 638 O LEU A 42 7.857 10.546 -1.496 1.00 0.00 O ATOM 639 CB LEU A 42 5.832 8.958 -3.485 1.00 0.00 C ATOM 640 CG LEU A 42 6.854 8.078 -4.242 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.210 7.857 -3.558 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.261 6.707 -4.557 1.00 0.00 C ATOM 0 H LEU A 42 3.971 8.696 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 42 6.679 8.322 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.838 8.549 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.851 9.954 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 42 7.058 8.661 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.836 7.225 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.702 8.818 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.057 7.371 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.998 6.106 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.987 6.207 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.374 6.828 -5.179 1.00 0.00 H new ATOM 654 N SER A 43 5.846 11.527 -1.612 1.00 0.00 N ATOM 655 CA SER A 43 6.300 12.885 -1.356 1.00 0.00 C ATOM 656 C SER A 43 7.172 12.980 -0.096 1.00 0.00 C ATOM 657 O SER A 43 8.130 13.759 -0.078 1.00 0.00 O ATOM 658 CB SER A 43 5.047 13.756 -1.247 1.00 0.00 C ATOM 659 OG SER A 43 5.318 15.138 -1.219 1.00 0.00 O ATOM 0 H SER A 43 4.836 11.458 -1.733 1.00 0.00 H new ATOM 0 HA SER A 43 6.940 13.228 -2.169 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.391 13.541 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.503 13.483 -0.343 1.00 0.00 H new ATOM 0 HG SER A 43 4.476 15.635 -1.150 1.00 0.00 H new ATOM 665 N VAL A 44 6.854 12.218 0.955 1.00 0.00 N ATOM 666 CA VAL A 44 7.607 12.234 2.215 1.00 0.00 C ATOM 667 C VAL A 44 8.789 11.261 2.125 1.00 0.00 C ATOM 668 O VAL A 44 9.879 11.535 2.634 1.00 0.00 O ATOM 669 CB VAL A 44 6.662 11.892 3.393 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.377 11.971 4.751 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.456 12.844 3.469 1.00 0.00 C ATOM 0 H VAL A 44 6.066 11.571 0.957 1.00 0.00 H new ATOM 0 HA VAL A 44 8.012 13.230 2.395 1.00 0.00 H new ATOM 0 HB VAL A 44 6.329 10.873 3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.675 11.723 5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.207 11.265 4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.757 12.981 4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.823 12.563 4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.808 13.867 3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.881 12.778 2.545 1.00 0.00 H new ATOM 681 N LEU A 45 8.584 10.117 1.473 1.00 0.00 N ATOM 682 CA LEU A 45 9.594 9.085 1.284 1.00 0.00 C ATOM 683 C LEU A 45 10.775 9.654 0.507 1.00 0.00 C ATOM 684 O LEU A 45 11.900 9.564 0.984 1.00 0.00 O ATOM 685 CB LEU A 45 8.949 7.869 0.601 1.00 0.00 C ATOM 686 CG LEU A 45 8.304 6.863 1.579 1.00 0.00 C ATOM 687 CD1 LEU A 45 9.365 5.857 2.016 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.642 7.460 2.830 1.00 0.00 C ATOM 0 H LEU A 45 7.686 9.879 1.052 1.00 0.00 H new ATOM 0 HA LEU A 45 9.987 8.747 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.188 8.219 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.707 7.352 0.013 1.00 0.00 H new ATOM 0 HG LEU A 45 7.487 6.407 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.923 5.140 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.748 5.330 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.182 6.382 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.225 6.658 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.386 8.007 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.844 8.140 2.530 1.00 0.00 H new ATOM 700 N GLU A 46 10.512 10.300 -0.626 1.00 0.00 N ATOM 701 CA GLU A 46 11.532 10.911 -1.471 1.00 0.00 C ATOM 702 C GLU A 46 12.325 11.977 -0.696 1.00 0.00 C ATOM 703 O GLU A 46 13.505 12.202 -0.958 1.00 0.00 O ATOM 704 CB GLU A 46 10.882 11.552 -2.704 1.00 0.00 C ATOM 705 CG GLU A 46 10.545 10.473 -3.740 1.00 0.00 C ATOM 706 CD GLU A 46 11.556 10.334 -4.869 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.758 10.135 -4.590 1.00 0.00 O ATOM 708 OE2 GLU A 46 11.143 10.238 -6.050 1.00 0.00 O ATOM 0 H GLU A 46 9.566 10.415 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 46 12.220 10.127 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.976 12.084 -2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.557 12.288 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.457 9.514 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.569 10.695 -4.171 1.00 0.00 H new ATOM 715 N GLN A 47 11.676 12.657 0.256 1.00 0.00 N ATOM 716 CA GLN A 47 12.264 13.708 1.071 1.00 0.00 C ATOM 717 C GLN A 47 13.163 13.256 2.204 1.00 0.00 C ATOM 718 O GLN A 47 14.216 13.862 2.404 1.00 0.00 O ATOM 719 CB GLN A 47 11.142 14.578 1.649 1.00 0.00 C ATOM 720 CG GLN A 47 10.886 15.688 0.640 1.00 0.00 C ATOM 721 CD GLN A 47 9.838 16.697 1.070 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.167 17.804 1.484 1.00 0.00 O ATOM 723 NE2 GLN A 47 8.566 16.367 0.942 1.00 0.00 N ATOM 0 H GLN A 47 10.697 12.480 0.482 1.00 0.00 H new ATOM 0 HA GLN A 47 12.918 14.254 0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.240 13.988 1.813 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.432 14.992 2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.822 16.213 0.451 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.575 15.240 -0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.311 15.442 0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.838 17.037 1.189 1.00 0.00 H new ATOM 732 N SER A 48 12.742 12.270 2.979 1.00 0.00 N ATOM 733 CA SER A 48 13.512 11.768 4.105 1.00 0.00 C ATOM 734 C SER A 48 13.687 10.265 3.999 1.00 0.00 C ATOM 735 O SER A 48 14.817 9.775 4.074 1.00 0.00 O ATOM 736 CB SER A 48 12.802 12.178 5.405 1.00 0.00 C ATOM 737 OG SER A 48 13.357 11.535 6.539 1.00 0.00 O ATOM 0 H SER A 48 11.851 11.793 2.844 1.00 0.00 H new ATOM 0 HA SER A 48 14.513 12.200 4.104 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.872 13.258 5.531 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.742 11.933 5.332 1.00 0.00 H new ATOM 0 HG SER A 48 12.879 11.823 7.345 1.00 0.00 H new ATOM 743 N GLY A 49 12.584 9.543 3.856 1.00 0.00 N ATOM 744 CA GLY A 49 12.560 8.095 3.774 1.00 0.00 C ATOM 745 C GLY A 49 11.457 7.566 4.684 1.00 0.00 C ATOM 746 O GLY A 49 10.683 8.331 5.268 1.00 0.00 O ATOM 0 H GLY A 49 11.657 9.963 3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.384 7.779 2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.524 7.685 4.073 1.00 0.00 H new ATOM 750 N LEU A 50 11.370 6.245 4.774 1.00 0.00 N ATOM 751 CA LEU A 50 10.408 5.465 5.547 1.00 0.00 C ATOM 752 C LEU A 50 10.537 5.621 7.081 1.00 0.00 C ATOM 753 O LEU A 50 11.667 5.689 7.584 1.00 0.00 O ATOM 754 CB LEU A 50 10.709 4.003 5.168 1.00 0.00 C ATOM 755 CG LEU A 50 9.738 2.986 5.780 1.00 0.00 C ATOM 756 CD1 LEU A 50 8.433 2.936 4.984 1.00 0.00 C ATOM 757 CD2 LEU A 50 10.399 1.613 5.821 1.00 0.00 C ATOM 0 H LEU A 50 12.021 5.643 4.269 1.00 0.00 H new ATOM 0 HA LEU A 50 9.398 5.803 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.682 3.907 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.723 3.758 5.485 1.00 0.00 H new ATOM 0 HG LEU A 50 9.495 3.294 6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.759 2.208 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.964 3.920 4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.645 2.644 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.709 0.890 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.658 1.304 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.303 1.662 6.428 1.00 0.00 H new ATOM 769 N PRO A 51 9.429 5.629 7.856 1.00 0.00 N ATOM 770 CA PRO A 51 9.496 5.726 9.308 1.00 0.00 C ATOM 771 C PRO A 51 9.920 4.368 9.877 1.00 0.00 C ATOM 772 O PRO A 51 9.574 3.311 9.344 1.00 0.00 O ATOM 773 CB PRO A 51 8.078 6.040 9.790 1.00 0.00 C ATOM 774 CG PRO A 51 7.188 5.467 8.700 1.00 0.00 C ATOM 775 CD PRO A 51 8.035 5.567 7.428 1.00 0.00 C ATOM 0 HA PRO A 51 10.207 6.489 9.625 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.873 5.580 10.757 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.924 7.113 9.909 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.912 4.434 8.914 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.261 6.032 8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.866 4.705 6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.767 6.453 6.853 1.00 0.00 H new ATOM 783 N ALA A 52 10.581 4.371 11.033 1.00 0.00 N ATOM 784 CA ALA A 52 11.031 3.156 11.699 1.00 0.00 C ATOM 785 C ALA A 52 9.867 2.274 12.198 1.00 0.00 C ATOM 786 O ALA A 52 10.095 1.189 12.735 1.00 0.00 O ATOM 787 CB ALA A 52 12.007 3.518 12.821 1.00 0.00 C ATOM 0 H ALA A 52 10.820 5.226 11.536 1.00 0.00 H new ATOM 0 HA ALA A 52 11.553 2.544 10.964 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.343 2.608 13.319 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.866 4.041 12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.508 4.163 13.544 1.00 0.00 H new ATOM 793 N LYS A 53 8.619 2.733 12.064 1.00 0.00 N ATOM 794 CA LYS A 53 7.420 2.005 12.459 1.00 0.00 C ATOM 795 C LYS A 53 7.074 0.978 11.389 1.00 0.00 C ATOM 796 O LYS A 53 7.229 -0.219 11.610 1.00 0.00 O ATOM 797 CB LYS A 53 6.214 2.948 12.664 1.00 0.00 C ATOM 798 CG LYS A 53 6.352 3.961 13.801 1.00 0.00 C ATOM 799 CD LYS A 53 6.709 3.301 15.137 1.00 0.00 C ATOM 800 CE LYS A 53 6.532 4.260 16.317 1.00 0.00 C ATOM 801 NZ LYS A 53 7.339 5.484 16.158 1.00 0.00 N ATOM 0 H LYS A 53 8.414 3.649 11.665 1.00 0.00 H new ATOM 0 HA LYS A 53 7.629 1.513 13.409 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.040 3.492 11.736 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.328 2.340 12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.121 4.689 13.543 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.417 4.510 13.909 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.081 2.423 15.287 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.741 2.953 15.105 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.480 4.529 16.411 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.816 3.755 17.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.284 6.051 17.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.330 5.225 15.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.973 6.040 15.359 1.00 0.00 H new ATOM 815 N LEU A 54 6.665 1.473 10.218 1.00 0.00 N ATOM 816 CA LEU A 54 6.220 0.734 9.034 1.00 0.00 C ATOM 817 C LEU A 54 7.210 -0.241 8.416 1.00 0.00 C ATOM 818 O LEU A 54 6.840 -0.987 7.511 1.00 0.00 O ATOM 819 CB LEU A 54 5.847 1.764 7.945 1.00 0.00 C ATOM 820 CG LEU A 54 4.452 2.341 8.195 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.165 3.577 7.345 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.427 1.247 7.887 1.00 0.00 C ATOM 0 H LEU A 54 6.634 2.480 10.061 1.00 0.00 H new ATOM 0 HA LEU A 54 5.392 0.119 9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.581 2.569 7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.879 1.290 6.964 1.00 0.00 H new ATOM 0 HG LEU A 54 4.391 2.660 9.235 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.162 3.944 7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.894 4.354 7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.234 3.316 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.422 1.632 8.057 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.526 0.938 6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.602 0.390 8.538 1.00 0.00 H new ATOM 834 N ARG A 55 8.463 -0.210 8.842 1.00 0.00 N ATOM 835 CA ARG A 55 9.575 -1.027 8.361 1.00 0.00 C ATOM 836 C ARG A 55 9.488 -2.491 8.763 1.00 0.00 C ATOM 837 O ARG A 55 10.509 -3.121 9.034 1.00 0.00 O ATOM 838 CB ARG A 55 10.922 -0.350 8.702 1.00 0.00 C ATOM 839 CG ARG A 55 11.334 -0.459 10.177 1.00 0.00 C ATOM 840 CD ARG A 55 12.596 -1.317 10.369 1.00 0.00 C ATOM 841 NE ARG A 55 12.749 -1.737 11.768 1.00 0.00 N ATOM 842 CZ ARG A 55 11.968 -2.614 12.411 1.00 0.00 C ATOM 843 NH1 ARG A 55 11.063 -3.347 11.768 1.00 0.00 N ATOM 844 NH2 ARG A 55 12.096 -2.729 13.723 1.00 0.00 N ATOM 0 H ARG A 55 8.753 0.428 9.583 1.00 0.00 H new ATOM 0 HA ARG A 55 9.504 -1.073 7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.704 -0.794 8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.863 0.704 8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.512 0.539 10.577 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.513 -0.890 10.750 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.541 -2.196 9.727 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.474 -0.750 10.059 1.00 0.00 H new ATOM 0 HE ARG A 55 13.518 -1.324 12.296 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.950 -3.249 10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.482 -4.007 12.284 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.778 -2.157 14.221 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.513 -3.390 14.236 1.00 0.00 H new ATOM 858 N HIS A 56 8.273 -3.010 8.883 1.00 0.00 N ATOM 859 CA HIS A 56 8.065 -4.409 9.230 1.00 0.00 C ATOM 860 C HIS A 56 8.847 -5.302 8.256 1.00 0.00 C ATOM 861 O HIS A 56 9.162 -4.895 7.136 1.00 0.00 O ATOM 862 CB HIS A 56 6.581 -4.796 9.241 1.00 0.00 C ATOM 863 CG HIS A 56 6.329 -6.050 10.042 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.907 -6.366 11.255 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.551 -7.111 9.665 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.486 -7.593 11.597 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.671 -8.090 10.657 1.00 0.00 N ATOM 0 H HIS A 56 7.413 -2.480 8.744 1.00 0.00 H new ATOM 0 HA HIS A 56 8.435 -4.558 10.245 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.996 -3.976 9.658 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.238 -4.945 8.217 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.955 -7.180 8.767 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.765 -8.108 12.504 1.00 0.00 H new ATOM 0 HE2 HIS A 56 5.224 -9.007 10.663 1.00 0.00 H new ATOM 875 N GLU A 57 9.094 -6.535 8.690 1.00 0.00 N ATOM 876 CA GLU A 57 9.834 -7.586 8.000 1.00 0.00 C ATOM 877 C GLU A 57 9.468 -7.717 6.520 1.00 0.00 C ATOM 878 O GLU A 57 10.348 -7.897 5.676 1.00 0.00 O ATOM 879 CB GLU A 57 9.630 -8.916 8.751 1.00 0.00 C ATOM 880 CG GLU A 57 9.929 -8.786 10.255 1.00 0.00 C ATOM 881 CD GLU A 57 9.929 -10.131 10.973 1.00 0.00 C ATOM 882 OE1 GLU A 57 8.841 -10.737 11.146 1.00 0.00 O ATOM 883 OE2 GLU A 57 11.007 -10.542 11.445 1.00 0.00 O ATOM 0 H GLU A 57 8.757 -6.848 9.600 1.00 0.00 H new ATOM 0 HA GLU A 57 10.889 -7.312 8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.603 -9.255 8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.277 -9.679 8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.899 -8.308 10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.186 -8.134 10.714 1.00 0.00 H new ATOM 890 N GLN A 58 8.174 -7.642 6.203 1.00 0.00 N ATOM 891 CA GLN A 58 7.663 -7.736 4.848 1.00 0.00 C ATOM 892 C GLN A 58 6.499 -6.765 4.731 1.00 0.00 C ATOM 893 O GLN A 58 5.693 -6.633 5.661 1.00 0.00 O ATOM 894 CB GLN A 58 7.216 -9.173 4.534 1.00 0.00 C ATOM 895 CG GLN A 58 8.284 -10.250 4.792 1.00 0.00 C ATOM 896 CD GLN A 58 7.789 -11.658 4.470 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.971 -11.871 3.577 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.271 -12.647 5.197 1.00 0.00 N ATOM 0 H GLN A 58 7.442 -7.511 6.901 1.00 0.00 H new ATOM 0 HA GLN A 58 8.440 -7.481 4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.335 -9.404 5.133 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.913 -9.224 3.488 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.166 -10.033 4.190 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.592 -10.207 5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.949 -12.455 5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.966 -13.604 5.022 1.00 0.00 H new ATOM 907 N ILE A 59 6.411 -6.075 3.598 1.00 0.00 N ATOM 908 CA ILE A 59 5.372 -5.102 3.313 1.00 0.00 C ATOM 909 C ILE A 59 4.937 -5.253 1.844 1.00 0.00 C ATOM 910 O ILE A 59 5.578 -5.969 1.069 1.00 0.00 O ATOM 911 CB ILE A 59 5.876 -3.670 3.661 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.649 -3.062 2.477 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.735 -3.576 4.948 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.111 -1.625 2.659 1.00 0.00 C ATOM 0 H ILE A 59 7.080 -6.183 2.835 1.00 0.00 H new ATOM 0 HA ILE A 59 4.493 -5.277 3.934 1.00 0.00 H new ATOM 0 HB ILE A 59 4.971 -3.097 3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.523 -3.683 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.017 -3.111 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.039 -2.542 5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.150 -3.918 5.802 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.621 -4.202 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.644 -1.298 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.246 -0.982 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.775 -1.563 3.521 1.00 0.00 H new ATOM 926 N ILE A 60 3.887 -4.544 1.432 1.00 0.00 N ATOM 927 CA ILE A 60 3.337 -4.518 0.081 1.00 0.00 C ATOM 928 C ILE A 60 3.026 -3.051 -0.232 1.00 0.00 C ATOM 929 O ILE A 60 2.562 -2.315 0.646 1.00 0.00 O ATOM 930 CB ILE A 60 2.062 -5.395 -0.005 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.343 -6.876 0.343 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.401 -5.323 -1.393 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.600 -7.311 1.607 1.00 0.00 C ATOM 0 H ILE A 60 3.369 -3.939 2.069 1.00 0.00 H new ATOM 0 HA ILE A 60 4.042 -4.925 -0.644 1.00 0.00 H new ATOM 0 HB ILE A 60 1.377 -4.984 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.043 -7.509 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.414 -7.020 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.512 -5.953 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.119 -4.293 -1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.104 -5.672 -2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.823 -8.357 1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.920 -6.695 2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.527 -7.192 1.457 1.00 0.00 H new ATOM 945 N PHE A 61 3.306 -2.615 -1.461 1.00 0.00 N ATOM 946 CA PHE A 61 3.034 -1.264 -1.924 1.00 0.00 C ATOM 947 C PHE A 61 1.823 -1.323 -2.841 1.00 0.00 C ATOM 948 O PHE A 61 1.631 -2.294 -3.577 1.00 0.00 O ATOM 949 CB PHE A 61 4.188 -0.681 -2.746 1.00 0.00 C ATOM 950 CG PHE A 61 5.505 -0.497 -2.039 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.541 0.256 -0.857 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.698 -0.986 -2.603 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.765 0.536 -0.240 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.928 -0.696 -1.993 1.00 0.00 C ATOM 955 CZ PHE A 61 7.954 0.075 -0.820 1.00 0.00 C ATOM 0 H PHE A 61 3.736 -3.206 -2.172 1.00 0.00 H new ATOM 0 HA PHE A 61 2.880 -0.636 -1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.353 -1.330 -3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.873 0.288 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.622 0.621 -0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.667 -1.583 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.793 1.104 0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.848 -1.063 -2.423 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.901 0.315 -0.360 1.00 0.00 H new ATOM 965 N HIS A 62 1.028 -0.258 -2.841 1.00 0.00 N ATOM 966 CA HIS A 62 -0.153 -0.162 -3.678 1.00 0.00 C ATOM 967 C HIS A 62 -0.418 1.305 -4.012 1.00 0.00 C ATOM 968 O HIS A 62 0.063 2.211 -3.323 1.00 0.00 O ATOM 969 CB HIS A 62 -1.339 -0.884 -3.010 1.00 0.00 C ATOM 970 CG HIS A 62 -1.897 -0.300 -1.743 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.235 0.505 -0.841 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.101 -0.651 -1.187 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.043 0.678 0.210 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.200 0.031 0.024 1.00 0.00 N ATOM 0 H HIS A 62 1.189 0.563 -2.257 1.00 0.00 H new ATOM 0 HA HIS A 62 0.002 -0.673 -4.628 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.149 -0.939 -3.737 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.030 -1.908 -2.798 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.300 0.897 -0.955 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.832 -1.326 -1.607 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.797 1.259 1.087 1.00 0.00 H new ATOM 982 N CYS A 63 -1.143 1.522 -5.104 1.00 0.00 N ATOM 983 CA CYS A 63 -1.555 2.798 -5.663 1.00 0.00 C ATOM 984 C CYS A 63 -2.980 2.643 -6.207 1.00 0.00 C ATOM 985 O CYS A 63 -3.638 1.622 -6.007 1.00 0.00 O ATOM 986 CB CYS A 63 -0.574 3.221 -6.768 1.00 0.00 C ATOM 987 SG CYS A 63 0.957 3.817 -6.025 1.00 0.00 S ATOM 0 H CYS A 63 -1.485 0.742 -5.666 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.547 3.577 -4.901 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.366 2.377 -7.426 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.019 4.003 -7.384 1.00 0.00 H new ATOM 0 HG CYS A 63 1.785 4.172 -6.962 1.00 0.00 H new ATOM 993 N GLN A 64 -3.474 3.653 -6.927 1.00 0.00 N ATOM 994 CA GLN A 64 -4.822 3.630 -7.487 1.00 0.00 C ATOM 995 C GLN A 64 -5.015 2.459 -8.457 1.00 0.00 C ATOM 996 O GLN A 64 -6.096 1.868 -8.503 1.00 0.00 O ATOM 997 CB GLN A 64 -5.125 4.959 -8.192 1.00 0.00 C ATOM 998 CG GLN A 64 -5.027 6.161 -7.234 1.00 0.00 C ATOM 999 CD GLN A 64 -4.779 7.489 -7.931 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -4.347 7.539 -9.081 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -4.946 8.582 -7.217 1.00 0.00 N ATOM 0 H GLN A 64 -2.952 4.504 -7.136 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.521 3.493 -6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.428 5.097 -9.018 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.126 4.920 -8.622 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.951 6.231 -6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.222 5.980 -6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.306 8.519 -6.265 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.716 9.492 -7.616 1.00 0.00 H new ATOM 1087 N SER A 70 4.922 0.526 -9.685 1.00 0.00 N ATOM 1088 CA SER A 70 5.834 -0.111 -10.621 1.00 0.00 C ATOM 1089 C SER A 70 6.849 0.875 -11.204 1.00 0.00 C ATOM 1090 O SER A 70 8.043 0.582 -11.258 1.00 0.00 O ATOM 1091 CB SER A 70 5.005 -0.783 -11.726 1.00 0.00 C ATOM 1092 OG SER A 70 3.893 -1.483 -11.180 1.00 0.00 O ATOM 0 HA SER A 70 6.420 -0.861 -10.090 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.653 -0.029 -12.430 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.634 -1.474 -12.287 1.00 0.00 H new ATOM 0 HG SER A 70 3.537 -0.986 -10.414 1.00 0.00 H new ATOM 1098 N ASN A 71 6.401 2.081 -11.553 1.00 0.00 N ATOM 1099 CA ASN A 71 7.236 3.124 -12.144 1.00 0.00 C ATOM 1100 C ASN A 71 8.286 3.730 -11.200 1.00 0.00 C ATOM 1101 O ASN A 71 8.964 4.679 -11.591 1.00 0.00 O ATOM 1102 CB ASN A 71 6.382 4.230 -12.776 1.00 0.00 C ATOM 1103 CG ASN A 71 5.552 3.809 -13.981 1.00 0.00 C ATOM 1104 OD1 ASN A 71 5.875 2.847 -14.675 1.00 0.00 O ATOM 1105 ND2 ASN A 71 4.511 4.552 -14.311 1.00 0.00 N ATOM 0 H ASN A 71 5.429 2.365 -11.430 1.00 0.00 H new ATOM 0 HA ASN A 71 7.805 2.611 -12.919 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.710 4.626 -12.015 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.040 5.046 -13.077 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.970 4.329 -15.146 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.249 5.349 -13.731 1.00 0.00 H new ATOM 1112 N ASN A 72 8.397 3.290 -9.946 1.00 0.00 N ATOM 1113 CA ASN A 72 9.409 3.783 -9.000 1.00 0.00 C ATOM 1114 C ASN A 72 10.080 2.600 -8.304 1.00 0.00 C ATOM 1115 O ASN A 72 10.807 2.805 -7.332 1.00 0.00 O ATOM 1116 CB ASN A 72 8.856 4.761 -7.951 1.00 0.00 C ATOM 1117 CG ASN A 72 8.442 6.089 -8.550 1.00 0.00 C ATOM 1118 OD1 ASN A 72 9.273 6.947 -8.836 1.00 0.00 O ATOM 1119 ND2 ASN A 72 7.154 6.304 -8.745 1.00 0.00 N ATOM 0 H ASN A 72 7.784 2.576 -9.552 1.00 0.00 H new ATOM 0 HA ASN A 72 10.133 4.346 -9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.998 4.308 -7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.613 4.933 -7.186 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.839 7.191 -9.138 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.474 5.583 -8.503 1.00 0.00 H new ATOM 1126 N ALA A 73 9.821 1.372 -8.765 1.00 0.00 N ATOM 1127 CA ALA A 73 10.337 0.119 -8.240 1.00 0.00 C ATOM 1128 C ALA A 73 11.828 0.179 -7.920 1.00 0.00 C ATOM 1129 O ALA A 73 12.243 -0.334 -6.887 1.00 0.00 O ATOM 1130 CB ALA A 73 10.042 -1.001 -9.245 1.00 0.00 C ATOM 0 H ALA A 73 9.206 1.226 -9.565 1.00 0.00 H new ATOM 0 HA ALA A 73 9.834 -0.082 -7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.426 -1.946 -8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.965 -1.081 -9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.525 -0.774 -10.195 1.00 0.00 H new ATOM 1136 N ASP A 74 12.597 0.848 -8.775 1.00 0.00 N ATOM 1137 CA ASP A 74 14.043 1.028 -8.685 1.00 0.00 C ATOM 1138 C ASP A 74 14.462 1.526 -7.306 1.00 0.00 C ATOM 1139 O ASP A 74 15.280 0.916 -6.615 1.00 0.00 O ATOM 1140 CB ASP A 74 14.433 2.056 -9.760 1.00 0.00 C ATOM 1141 CG ASP A 74 15.904 2.101 -10.153 1.00 0.00 C ATOM 1142 OD1 ASP A 74 16.160 2.760 -11.192 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.751 1.445 -9.518 1.00 0.00 O ATOM 0 H ASP A 74 12.204 1.306 -9.597 1.00 0.00 H new ATOM 0 HA ASP A 74 14.548 0.075 -8.842 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.846 1.853 -10.656 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.143 3.046 -9.407 1.00 0.00 H new ATOM 1148 N LYS A 75 13.817 2.607 -6.864 1.00 0.00 N ATOM 1149 CA LYS A 75 14.076 3.273 -5.610 1.00 0.00 C ATOM 1150 C LYS A 75 13.216 2.745 -4.486 1.00 0.00 C ATOM 1151 O LYS A 75 13.702 2.573 -3.376 1.00 0.00 O ATOM 1152 CB LYS A 75 13.981 4.766 -5.905 1.00 0.00 C ATOM 1153 CG LYS A 75 12.821 5.612 -5.389 1.00 0.00 C ATOM 1154 CD LYS A 75 12.005 6.193 -6.535 1.00 0.00 C ATOM 1155 CE LYS A 75 12.820 7.187 -7.372 1.00 0.00 C ATOM 1156 NZ LYS A 75 13.226 8.421 -6.676 1.00 0.00 N ATOM 0 H LYS A 75 13.072 3.051 -7.400 1.00 0.00 H new ATOM 0 HA LYS A 75 15.072 3.066 -5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.897 5.222 -5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.994 4.875 -6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.178 5.002 -4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.206 6.421 -4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.651 5.385 -7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.123 6.693 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.716 6.682 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.235 7.462 -8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.185 8.689 -6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.563 9.187 -6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.217 8.259 -5.649 1.00 0.00 H new ATOM 1170 N LEU A 76 11.950 2.446 -4.768 1.00 0.00 N ATOM 1171 CA LEU A 76 11.015 1.916 -3.775 1.00 0.00 C ATOM 1172 C LEU A 76 11.581 0.638 -3.171 1.00 0.00 C ATOM 1173 O LEU A 76 11.519 0.481 -1.949 1.00 0.00 O ATOM 1174 CB LEU A 76 9.646 1.601 -4.396 1.00 0.00 C ATOM 1175 CG LEU A 76 8.765 2.819 -4.698 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.485 2.333 -5.383 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.381 3.576 -3.425 1.00 0.00 C ATOM 0 H LEU A 76 11.541 2.565 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 76 10.882 2.679 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.805 1.050 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.103 0.940 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 76 9.329 3.498 -5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.845 3.187 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.741 1.820 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.957 1.646 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.757 4.431 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.829 2.912 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.283 3.924 -2.923 1.00 0.00 H new ATOM 1189 N ALA A 77 12.124 -0.251 -4.016 1.00 0.00 N ATOM 1190 CA ALA A 77 12.719 -1.503 -3.563 1.00 0.00 C ATOM 1191 C ALA A 77 13.904 -1.255 -2.631 1.00 0.00 C ATOM 1192 O ALA A 77 14.210 -2.148 -1.844 1.00 0.00 O ATOM 1193 CB ALA A 77 13.200 -2.343 -4.752 1.00 0.00 C ATOM 0 H ALA A 77 12.160 -0.117 -5.027 1.00 0.00 H new ATOM 0 HA ALA A 77 11.942 -2.042 -3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.640 -3.271 -4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.355 -2.572 -5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.948 -1.784 -5.314 1.00 0.00 H new ATOM 1199 N ALA A 78 14.575 -0.098 -2.714 1.00 0.00 N ATOM 1200 CA ALA A 78 15.714 0.215 -1.863 1.00 0.00 C ATOM 1201 C ALA A 78 15.301 0.969 -0.595 1.00 0.00 C ATOM 1202 O ALA A 78 15.702 0.564 0.491 1.00 0.00 O ATOM 1203 CB ALA A 78 16.751 1.005 -2.663 1.00 0.00 C ATOM 0 H ALA A 78 14.338 0.642 -3.375 1.00 0.00 H new ATOM 0 HA ALA A 78 16.157 -0.724 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.603 1.238 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.087 0.409 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.304 1.931 -3.024 1.00 0.00 H new ATOM 1209 N ILE A 79 14.476 2.019 -0.714 1.00 0.00 N ATOM 1210 CA ILE A 79 14.016 2.849 0.401 1.00 0.00 C ATOM 1211 C ILE A 79 13.455 1.996 1.547 1.00 0.00 C ATOM 1212 O ILE A 79 13.811 2.222 2.704 1.00 0.00 O ATOM 1213 CB ILE A 79 12.957 3.891 -0.060 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.470 4.988 -1.020 1.00 0.00 C ATOM 1215 CG2 ILE A 79 12.365 4.607 1.168 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.332 5.785 -1.696 1.00 0.00 C ATOM 0 H ILE A 79 14.102 2.320 -1.614 1.00 0.00 H new ATOM 0 HA ILE A 79 14.888 3.388 0.772 1.00 0.00 H new ATOM 0 HB ILE A 79 12.224 3.302 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.108 5.677 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.090 4.528 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.624 5.336 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.891 3.875 1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.161 5.117 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.759 6.539 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.707 5.106 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.726 6.273 -0.932 1.00 0.00 H new ATOM 1228 N ALA A 80 12.554 1.058 1.233 1.00 0.00 N ATOM 1229 CA ALA A 80 11.923 0.207 2.233 1.00 0.00 C ATOM 1230 C ALA A 80 12.748 -1.000 2.679 1.00 0.00 C ATOM 1231 O ALA A 80 12.340 -1.687 3.621 1.00 0.00 O ATOM 1232 CB ALA A 80 10.580 -0.271 1.681 1.00 0.00 C ATOM 0 H ALA A 80 12.246 0.872 0.278 1.00 0.00 H new ATOM 0 HA ALA A 80 11.811 0.820 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.091 -0.911 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.946 0.590 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.744 -0.834 0.762 1.00 0.00 H new ATOM 1238 N ALA A 81 13.853 -1.298 1.997 1.00 0.00 N ATOM 1239 CA ALA A 81 14.708 -2.425 2.329 1.00 0.00 C ATOM 1240 C ALA A 81 15.372 -2.224 3.702 1.00 0.00 C ATOM 1241 O ALA A 81 15.332 -1.104 4.223 1.00 0.00 O ATOM 1242 CB ALA A 81 15.743 -2.621 1.230 1.00 0.00 C ATOM 0 H ALA A 81 14.178 -0.758 1.195 1.00 0.00 H new ATOM 0 HA ALA A 81 14.101 -3.328 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.384 -3.467 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.237 -2.816 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.350 -1.721 1.137 1.00 0.00 H new ATOM 1248 N PRO A 82 16.035 -3.232 4.300 1.00 0.00 N ATOM 1249 CA PRO A 82 16.246 -4.606 3.824 1.00 0.00 C ATOM 1250 C PRO A 82 15.003 -5.499 3.897 1.00 0.00 C ATOM 1251 O PRO A 82 15.103 -6.714 3.715 1.00 0.00 O ATOM 1252 CB PRO A 82 17.377 -5.150 4.694 1.00 0.00 C ATOM 1253 CG PRO A 82 17.195 -4.424 6.017 1.00 0.00 C ATOM 1254 CD PRO A 82 16.723 -3.044 5.574 1.00 0.00 C ATOM 0 HA PRO A 82 16.488 -4.602 2.761 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.303 -6.231 4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.354 -4.945 4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.462 -4.919 6.654 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.125 -4.372 6.583 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.055 -2.606 6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.566 -2.362 5.463 1.00 0.00 H new ATOM 1262 N ALA A 83 13.840 -4.930 4.227 1.00 0.00 N ATOM 1263 CA ALA A 83 12.596 -5.677 4.308 1.00 0.00 C ATOM 1264 C ALA A 83 12.182 -6.150 2.910 1.00 0.00 C ATOM 1265 O ALA A 83 12.716 -5.695 1.889 1.00 0.00 O ATOM 1266 CB ALA A 83 11.502 -4.780 4.894 1.00 0.00 C ATOM 0 H ALA A 83 13.742 -3.938 4.444 1.00 0.00 H new ATOM 0 HA ALA A 83 12.737 -6.546 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.568 -5.338 4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.795 -4.452 5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.363 -3.910 4.253 1.00 0.00 H new ATOM 1272 N GLU A 84 11.225 -7.071 2.859 1.00 0.00 N ATOM 1273 CA GLU A 84 10.715 -7.595 1.606 1.00 0.00 C ATOM 1274 C GLU A 84 9.561 -6.701 1.163 1.00 0.00 C ATOM 1275 O GLU A 84 8.770 -6.254 1.997 1.00 0.00 O ATOM 1276 CB GLU A 84 10.304 -9.062 1.739 1.00 0.00 C ATOM 1277 CG GLU A 84 10.755 -9.889 0.527 1.00 0.00 C ATOM 1278 CD GLU A 84 12.283 -9.980 0.431 1.00 0.00 C ATOM 1279 OE1 GLU A 84 12.871 -9.393 -0.510 1.00 0.00 O ATOM 1280 OE2 GLU A 84 12.907 -10.660 1.277 1.00 0.00 O ATOM 0 H GLU A 84 10.784 -7.472 3.687 1.00 0.00 H new ATOM 0 HA GLU A 84 11.493 -7.581 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.738 -9.481 2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.221 -9.129 1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.336 -10.893 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.360 -9.441 -0.385 1.00 0.00 H new ATOM 1287 N ILE A 85 9.451 -6.445 -0.139 1.00 0.00 N ATOM 1288 CA ILE A 85 8.407 -5.610 -0.706 1.00 0.00 C ATOM 1289 C ILE A 85 7.758 -6.331 -1.885 1.00 0.00 C ATOM 1290 O ILE A 85 8.392 -7.145 -2.559 1.00 0.00 O ATOM 1291 CB ILE A 85 8.941 -4.221 -1.132 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.346 -4.209 -1.769 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.834 -3.187 -0.015 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.492 -4.050 -0.758 1.00 0.00 C ATOM 0 H ILE A 85 10.096 -6.819 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 85 7.657 -5.434 0.065 1.00 0.00 H new ATOM 0 HB ILE A 85 8.268 -3.933 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.490 -5.137 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.398 -3.395 -2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.222 -2.231 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.790 -3.071 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.414 -3.520 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.446 -4.051 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.376 -3.109 -0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.469 -4.877 -0.049 1.00 0.00 H new ATOM 1306 N PHE A 86 6.497 -5.994 -2.147 1.00 0.00 N ATOM 1307 CA PHE A 86 5.666 -6.507 -3.229 1.00 0.00 C ATOM 1308 C PHE A 86 4.873 -5.326 -3.781 1.00 0.00 C ATOM 1309 O PHE A 86 4.888 -4.234 -3.205 1.00 0.00 O ATOM 1310 CB PHE A 86 4.712 -7.612 -2.753 1.00 0.00 C ATOM 1311 CG PHE A 86 5.413 -8.856 -2.264 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.756 -8.957 -0.906 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.750 -9.890 -3.159 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.476 -10.069 -0.438 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.459 -11.009 -2.690 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.827 -11.092 -1.335 1.00 0.00 C ATOM 0 H PHE A 86 6.000 -5.313 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 86 6.298 -6.957 -3.994 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.088 -7.219 -1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.045 -7.881 -3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.465 -8.177 -0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.465 -9.823 -4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.757 -10.137 0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.721 -11.806 -3.370 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.383 -11.948 -0.982 1.00 0.00 H new ATOM 1326 N LEU A 87 4.172 -5.545 -4.886 1.00 0.00 N ATOM 1327 CA LEU A 87 3.346 -4.570 -5.573 1.00 0.00 C ATOM 1328 C LEU A 87 1.950 -5.158 -5.745 1.00 0.00 C ATOM 1329 O LEU A 87 1.786 -6.373 -5.834 1.00 0.00 O ATOM 1330 CB LEU A 87 3.922 -4.297 -6.976 1.00 0.00 C ATOM 1331 CG LEU A 87 5.328 -3.688 -7.068 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.701 -3.466 -8.537 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.431 -2.355 -6.320 1.00 0.00 C ATOM 0 H LEU A 87 4.166 -6.454 -5.348 1.00 0.00 H new ATOM 0 HA LEU A 87 3.317 -3.646 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.929 -5.239 -7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.234 -3.631 -7.496 1.00 0.00 H new ATOM 0 HG LEU A 87 6.017 -4.392 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.700 -3.034 -8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.686 -4.420 -9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.983 -2.786 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.444 -1.963 -6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.725 -1.643 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.198 -2.510 -5.267 1.00 0.00 H new ATOM 1345 N LEU A 88 0.944 -4.301 -5.854 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.442 -4.695 -6.065 1.00 0.00 C ATOM 1347 C LEU A 88 -0.740 -4.166 -7.455 1.00 0.00 C ATOM 1348 O LEU A 88 -0.696 -2.950 -7.654 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.369 -4.088 -4.995 1.00 0.00 C ATOM 1350 CG LEU A 88 -1.894 -5.125 -3.984 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.651 -4.414 -2.856 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.845 -6.129 -4.648 1.00 0.00 C ATOM 0 H LEU A 88 1.072 -3.291 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.605 -5.770 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.830 -3.308 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.216 -3.610 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.032 -5.663 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.020 -5.152 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.980 -3.723 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.492 -3.861 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.195 -6.845 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.698 -5.598 -5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.318 -6.659 -5.442 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.972 -5.035 -8.433 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.259 -4.609 -9.806 1.00 0.00 C ATOM 1366 C GLU A 89 -2.744 -4.262 -9.993 1.00 0.00 C ATOM 1367 O GLU A 89 -3.127 -3.693 -11.018 1.00 0.00 O ATOM 1368 CB GLU A 89 -0.790 -5.722 -10.755 1.00 0.00 C ATOM 1369 CG GLU A 89 -0.809 -5.378 -12.254 1.00 0.00 C ATOM 1370 CD GLU A 89 -0.039 -4.110 -12.641 1.00 0.00 C ATOM 1371 OE1 GLU A 89 0.894 -3.681 -11.925 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -0.343 -3.538 -13.719 1.00 0.00 O ATOM 0 H GLU A 89 -0.968 -6.047 -8.303 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.718 -3.691 -10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.226 -6.004 -10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.418 -6.598 -10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.394 -6.220 -12.809 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.846 -5.266 -12.572 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.591 -4.573 -9.007 1.00 0.00 N ATOM 1380 CA ASP A 90 -5.027 -4.294 -9.075 1.00 0.00 C ATOM 1381 C ASP A 90 -5.374 -2.926 -8.481 1.00 0.00 C ATOM 1382 O ASP A 90 -6.372 -2.309 -8.863 1.00 0.00 O ATOM 1383 CB ASP A 90 -5.823 -5.465 -8.476 1.00 0.00 C ATOM 1384 CG ASP A 90 -6.887 -5.933 -9.470 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -6.511 -6.264 -10.617 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -8.097 -5.929 -9.153 1.00 0.00 O ATOM 0 H ASP A 90 -3.300 -5.025 -8.140 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.327 -4.219 -10.120 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.150 -6.288 -8.236 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.295 -5.156 -7.543 1.00 0.00 H new ATOM 1391 N GLY A 91 -4.517 -2.412 -7.595 1.00 0.00 N ATOM 1392 CA GLY A 91 -4.662 -1.115 -6.952 1.00 0.00 C ATOM 1393 C GLY A 91 -5.898 -0.965 -6.077 1.00 0.00 C ATOM 1394 O GLY A 91 -6.632 -1.914 -5.819 1.00 0.00 O ATOM 0 H GLY A 91 -3.677 -2.909 -7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.778 -0.928 -6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.685 -0.345 -7.723 1.00 0.00 H new ATOM 1398 N ILE A 92 -6.142 0.262 -5.614 1.00 0.00 N ATOM 1399 CA ILE A 92 -7.286 0.605 -4.770 1.00 0.00 C ATOM 1400 C ILE A 92 -8.592 0.226 -5.491 1.00 0.00 C ATOM 1401 O ILE A 92 -9.558 -0.208 -4.863 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.182 2.096 -4.362 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.715 2.369 -2.943 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.792 3.077 -5.384 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -9.191 2.048 -2.699 1.00 0.00 C ATOM 0 H ILE A 92 -5.539 1.059 -5.819 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.287 0.034 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.110 2.294 -4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.118 1.792 -2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.551 3.422 -2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.677 4.098 -5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.279 2.972 -6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.851 2.855 -5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.448 2.282 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.809 2.644 -3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.369 0.989 -2.887 1.00 0.00 H new ATOM 1417 N ASP A 93 -8.618 0.365 -6.824 1.00 0.00 N ATOM 1418 CA ASP A 93 -9.782 0.024 -7.638 1.00 0.00 C ATOM 1419 C ASP A 93 -10.083 -1.467 -7.454 1.00 0.00 C ATOM 1420 O ASP A 93 -11.236 -1.861 -7.267 1.00 0.00 O ATOM 1421 CB ASP A 93 -9.479 0.380 -9.090 1.00 0.00 C ATOM 1422 CG ASP A 93 -10.694 0.269 -10.001 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -11.559 1.175 -9.929 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -10.735 -0.635 -10.861 1.00 0.00 O ATOM 0 H ASP A 93 -7.828 0.718 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.666 0.584 -7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.091 1.398 -9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.693 -0.277 -9.462 1.00 0.00 H new ATOM 1429 N GLY A 94 -9.029 -2.285 -7.440 1.00 0.00 N ATOM 1430 CA GLY A 94 -9.083 -3.718 -7.241 1.00 0.00 C ATOM 1431 C GLY A 94 -9.455 -4.031 -5.796 1.00 0.00 C ATOM 1432 O GLY A 94 -10.261 -4.924 -5.556 1.00 0.00 O ATOM 0 H GLY A 94 -8.077 -1.943 -7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.815 -4.160 -7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.117 -4.163 -7.481 1.00 0.00 H new ATOM 1436 N TRP A 95 -8.951 -3.262 -4.823 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.254 -3.457 -3.407 1.00 0.00 C ATOM 1438 C TRP A 95 -10.778 -3.372 -3.203 1.00 0.00 C ATOM 1439 O TRP A 95 -11.357 -4.155 -2.443 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.468 -2.469 -2.532 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.371 -2.884 -1.094 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.236 -2.536 -0.117 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.361 -3.710 -0.439 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -8.897 -3.155 1.066 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.742 -3.896 0.926 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.138 -4.281 -0.849 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -6.973 -4.655 1.822 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.357 -5.041 0.046 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.777 -5.238 1.374 1.00 0.00 C ATOM 0 H TRP A 95 -8.318 -2.483 -5.001 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.932 -4.448 -3.089 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.462 -2.358 -2.938 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.944 -1.490 -2.587 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.074 -1.867 -0.245 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.430 -3.076 1.932 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.795 -4.134 -1.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.297 -4.789 2.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.428 -5.476 -0.291 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.181 -5.836 2.047 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.455 -2.428 -3.877 1.00 0.00 N ATOM 1461 CA LYS A 96 -12.913 -2.298 -3.785 1.00 0.00 C ATOM 1462 C LYS A 96 -13.564 -3.453 -4.522 1.00 0.00 C ATOM 1463 O LYS A 96 -14.450 -4.099 -3.972 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.425 -0.965 -4.353 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.249 0.149 -3.322 1.00 0.00 C ATOM 1466 CD LYS A 96 -14.114 1.379 -3.608 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.245 2.245 -2.347 1.00 0.00 C ATOM 1468 NZ LYS A 96 -12.965 2.840 -1.909 1.00 0.00 N ATOM 0 H LYS A 96 -11.013 -1.744 -4.491 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.180 -2.318 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.881 -0.717 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.477 -1.057 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.495 -0.238 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.201 0.448 -3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.671 1.964 -4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.102 1.066 -3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.963 3.043 -2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.650 1.637 -1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.122 3.412 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.284 2.083 -1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.587 3.445 -2.665 1.00 0.00 H new ATOM 1482 N LYS A 97 -13.109 -3.745 -5.739 1.00 0.00 N ATOM 1483 CA LYS A 97 -13.627 -4.825 -6.571 1.00 0.00 C ATOM 1484 C LYS A 97 -13.585 -6.169 -5.835 1.00 0.00 C ATOM 1485 O LYS A 97 -14.541 -6.936 -5.930 1.00 0.00 O ATOM 1486 CB LYS A 97 -12.818 -4.805 -7.867 1.00 0.00 C ATOM 1487 CG LYS A 97 -13.287 -5.800 -8.922 1.00 0.00 C ATOM 1488 CD LYS A 97 -12.466 -5.545 -10.190 1.00 0.00 C ATOM 1489 CE LYS A 97 -12.383 -6.819 -11.019 1.00 0.00 C ATOM 1490 NZ LYS A 97 -11.543 -6.628 -12.210 1.00 0.00 N ATOM 0 H LYS A 97 -12.352 -3.224 -6.183 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.682 -4.683 -6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.858 -3.801 -8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -11.774 -5.010 -7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.147 -6.823 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.351 -5.674 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.924 -4.749 -10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.464 -5.208 -9.923 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.976 -7.626 -10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.385 -7.123 -11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.506 -7.513 -12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.946 -5.874 -12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.581 -6.361 -11.917 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.533 -6.452 -5.062 1.00 0.00 N ATOM 1505 CA ALA A 98 -12.365 -7.679 -4.281 1.00 0.00 C ATOM 1506 C ALA A 98 -13.374 -7.759 -3.120 1.00 0.00 C ATOM 1507 O ALA A 98 -13.560 -8.814 -2.512 1.00 0.00 O ATOM 1508 CB ALA A 98 -10.941 -7.704 -3.717 1.00 0.00 C ATOM 0 H ALA A 98 -11.747 -5.810 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.542 -8.533 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.797 -8.612 -3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.224 -7.684 -4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.787 -6.833 -3.080 1.00 0.00 H new ATOM 1514 N GLY A 99 -14.020 -6.639 -2.794 1.00 0.00 N ATOM 1515 CA GLY A 99 -15.008 -6.510 -1.739 1.00 0.00 C ATOM 1516 C GLY A 99 -14.374 -6.296 -0.368 1.00 0.00 C ATOM 1517 O GLY A 99 -15.058 -6.430 0.646 1.00 0.00 O ATOM 0 H GLY A 99 -13.856 -5.760 -3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.669 -5.673 -1.965 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.627 -7.407 -1.714 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.078 -5.991 -0.298 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.400 -5.790 0.979 1.00 0.00 C ATOM 1523 C LEU A 100 -12.941 -4.532 1.689 1.00 0.00 C ATOM 1524 O LEU A 100 -13.506 -3.642 1.035 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.884 -5.775 0.746 1.00 0.00 C ATOM 1526 CG LEU A 100 -10.317 -7.140 0.298 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.859 -6.970 -0.119 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -10.386 -8.205 1.400 1.00 0.00 C ATOM 0 H LEU A 100 -12.477 -5.878 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.608 -6.616 1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.648 -5.026 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.386 -5.467 1.665 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.932 -7.481 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.457 -7.932 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.797 -6.261 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.280 -6.595 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.974 -9.142 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.809 -7.873 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.424 -8.357 1.694 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.780 -4.426 3.018 1.00 0.00 N ATOM 1541 CA PRO A 101 -13.261 -3.294 3.804 1.00 0.00 C ATOM 1542 C PRO A 101 -12.379 -2.045 3.681 1.00 0.00 C ATOM 1543 O PRO A 101 -11.298 -2.053 3.079 1.00 0.00 O ATOM 1544 CB PRO A 101 -13.251 -3.806 5.250 1.00 0.00 C ATOM 1545 CG PRO A 101 -12.028 -4.714 5.255 1.00 0.00 C ATOM 1546 CD PRO A 101 -12.147 -5.401 3.898 1.00 0.00 C ATOM 0 HA PRO A 101 -14.243 -2.976 3.455 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.159 -2.993 5.970 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.163 -4.349 5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.100 -4.150 5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.051 -5.428 6.079 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.167 -5.693 3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.744 -6.310 3.970 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.870 -0.969 4.296 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.292 0.364 4.406 1.00 0.00 C ATOM 1556 C VAL A 102 -12.754 0.968 5.736 1.00 0.00 C ATOM 1557 O VAL A 102 -13.698 0.458 6.345 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.716 1.280 3.243 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.794 1.063 2.050 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -14.165 1.107 2.762 1.00 0.00 C ATOM 0 H VAL A 102 -13.769 -1.017 4.775 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.206 0.281 4.364 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.642 2.289 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.100 1.714 1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.768 1.296 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.854 0.023 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.361 1.798 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.314 0.084 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.849 1.317 3.584 1.00 0.00 H new ATOM 1570 N ALA A 103 -12.131 2.060 6.183 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.489 2.746 7.422 1.00 0.00 C ATOM 1572 C ALA A 103 -13.328 3.987 7.099 1.00 0.00 C ATOM 1573 O ALA A 103 -13.009 5.111 7.504 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.232 3.090 8.209 1.00 0.00 C ATOM 0 H ALA A 103 -11.354 2.497 5.687 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.094 2.091 8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.509 3.601 9.131 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.691 2.175 8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.595 3.741 7.610 1.00 0.00 H new