USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 THR OG1 : rot 180:sc= 0.0676 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.306 X(o=-0.24,f=-0.65) USER MOD Set 2.1: A 55 CYS SG : rot -171:sc= -1.08! USER MOD Set 2.2: A 76 TYR OH : rot 150:sc= -1.07 USER MOD Set 3.1: A 4 HIS : no HD1:sc= 0 X(o=0.13,f=0.097) USER MOD Set 3.2: A 5 SER OG : rot 39:sc= 0.132 USER MOD Set 3.3: A 15 ASN : amide:sc= 0 K(o=0.13,f=-0.46) USER MOD Single : A 1 MET CE :methyl -140:sc= -1.24 (180deg=-3.96!) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.00527 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -14:sc= 0.555 USER MOD Single : A 17 SER OG : rot -101:sc= -0.2 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 37 LYS NZ :NH3+ 143:sc= 0.812 (180deg=0.179) USER MOD Single : A 39 THR OG1 : rot 74:sc= 0.547 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 58 THR OG1 : rot 167:sc= 0.399 USER MOD Single : A 59 GLN : amide:sc= -2.07! K(o=-2.1!,f=-3.2) USER MOD Single : A 61 GLN : amide:sc= 0.32 K(o=0.32,f=-2.2!) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 0.963 (180deg=0.753) USER MOD Single : A 72 THR OG1 : rot 93:sc= 1.06 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.24) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.896 -5.571 7.146 1.00 0.00 N ATOM 2 CA MET A 1 6.371 -5.465 5.748 1.00 0.00 C ATOM 3 C MET A 1 7.101 -6.754 5.354 1.00 0.00 C ATOM 4 O MET A 1 7.935 -7.256 6.116 1.00 0.00 O ATOM 5 CB MET A 1 7.289 -4.215 5.576 1.00 0.00 C ATOM 6 CG MET A 1 7.921 -4.040 4.176 1.00 0.00 C ATOM 7 SD MET A 1 9.286 -5.187 3.854 1.00 0.00 S ATOM 8 CE MET A 1 9.598 -4.880 2.117 1.00 0.00 C ATOM 0 H1 MET A 1 6.141 -4.703 7.663 1.00 0.00 H new ATOM 0 H2 MET A 1 4.864 -5.698 7.153 1.00 0.00 H new ATOM 0 H3 MET A 1 6.349 -6.387 7.606 1.00 0.00 H new ATOM 0 HA MET A 1 5.516 -5.337 5.084 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.706 -3.323 5.806 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.090 -4.270 6.313 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.151 -4.181 3.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.284 -3.017 4.075 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.805 -5.824 1.612 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.722 -4.412 1.667 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.457 -4.217 2.013 1.00 0.00 H new ATOM 18 N LEU A 2 6.759 -7.286 4.171 1.00 0.00 N ATOM 19 CA LEU A 2 7.449 -8.442 3.566 1.00 0.00 C ATOM 20 C LEU A 2 7.788 -8.145 2.100 1.00 0.00 C ATOM 21 O LEU A 2 7.183 -7.259 1.474 1.00 0.00 O ATOM 22 CB LEU A 2 6.617 -9.752 3.745 1.00 0.00 C ATOM 23 CG LEU A 2 5.101 -9.733 3.331 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.877 -9.701 1.804 1.00 0.00 C ATOM 25 CD2 LEU A 2 4.345 -10.922 3.964 1.00 0.00 C ATOM 0 H LEU A 2 5.993 -6.927 3.602 1.00 0.00 H new ATOM 0 HA LEU A 2 8.391 -8.609 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.108 -10.539 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.672 -10.040 4.795 1.00 0.00 H new ATOM 0 HG LEU A 2 4.696 -8.798 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.808 -9.689 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.339 -8.806 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.326 -10.585 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.298 -10.889 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.790 -11.858 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.413 -10.860 5.050 1.00 0.00 H new ATOM 37 N LEU A 3 8.769 -8.882 1.577 1.00 0.00 N ATOM 38 CA LEU A 3 9.233 -8.778 0.189 1.00 0.00 C ATOM 39 C LEU A 3 8.166 -9.372 -0.745 1.00 0.00 C ATOM 40 O LEU A 3 7.973 -10.590 -0.779 1.00 0.00 O ATOM 41 CB LEU A 3 10.598 -9.536 0.027 1.00 0.00 C ATOM 42 CG LEU A 3 11.884 -8.876 0.650 1.00 0.00 C ATOM 43 CD1 LEU A 3 11.685 -8.381 2.102 1.00 0.00 C ATOM 44 CD2 LEU A 3 13.087 -9.854 0.564 1.00 0.00 C ATOM 0 H LEU A 3 9.275 -9.584 2.117 1.00 0.00 H new ATOM 0 HA LEU A 3 9.390 -7.732 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.484 -10.527 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.778 -9.678 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 3 12.092 -7.987 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.612 -7.938 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.892 -7.634 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.410 -9.222 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.969 -9.384 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.854 -10.766 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.283 -10.099 -0.480 1.00 0.00 H new ATOM 56 N HIS A 4 7.428 -8.484 -1.436 1.00 0.00 N ATOM 57 CA HIS A 4 6.450 -8.865 -2.476 1.00 0.00 C ATOM 58 C HIS A 4 7.056 -9.795 -3.556 1.00 0.00 C ATOM 59 O HIS A 4 6.352 -10.652 -4.095 1.00 0.00 O ATOM 60 CB HIS A 4 5.860 -7.592 -3.144 1.00 0.00 C ATOM 61 CG HIS A 4 5.019 -7.877 -4.373 1.00 0.00 C ATOM 62 ND1 HIS A 4 5.517 -7.769 -5.661 1.00 0.00 N ATOM 63 CD2 HIS A 4 3.752 -8.338 -4.507 1.00 0.00 C ATOM 64 CE1 HIS A 4 4.597 -8.152 -6.518 1.00 0.00 C ATOM 65 NE2 HIS A 4 3.517 -8.498 -5.849 1.00 0.00 N ATOM 0 H HIS A 4 7.492 -7.477 -1.289 1.00 0.00 H new ATOM 0 HA HIS A 4 5.658 -9.425 -1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 4 5.250 -7.060 -2.414 1.00 0.00 H new ATOM 0 HB3 HIS A 4 6.678 -6.927 -3.422 1.00 0.00 H new ATOM 0 HD2 HIS A 4 3.056 -8.542 -3.706 1.00 0.00 H new ATOM 0 HE1 HIS A 4 4.708 -8.178 -7.592 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.646 -8.831 -6.262 1.00 0.00 H new ATOM 74 N SER A 5 8.349 -9.605 -3.865 1.00 0.00 N ATOM 75 CA SER A 5 9.043 -10.357 -4.925 1.00 0.00 C ATOM 76 C SER A 5 10.565 -10.321 -4.690 1.00 0.00 C ATOM 77 O SER A 5 11.168 -9.249 -4.728 1.00 0.00 O ATOM 78 CB SER A 5 8.672 -9.760 -6.310 1.00 0.00 C ATOM 79 OG SER A 5 8.858 -8.350 -6.342 1.00 0.00 O ATOM 0 H SER A 5 8.943 -8.927 -3.388 1.00 0.00 H new ATOM 0 HA SER A 5 8.727 -11.400 -4.903 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.284 -10.225 -7.083 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.633 -9.995 -6.541 1.00 0.00 H new ATOM 0 HG SER A 5 9.673 -8.116 -5.850 1.00 0.00 H new ATOM 85 N VAL A 6 11.163 -11.499 -4.414 1.00 0.00 N ATOM 86 CA VAL A 6 12.627 -11.666 -4.247 1.00 0.00 C ATOM 87 C VAL A 6 13.132 -12.756 -5.208 1.00 0.00 C ATOM 88 O VAL A 6 12.416 -13.732 -5.491 1.00 0.00 O ATOM 89 CB VAL A 6 13.015 -12.025 -2.749 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.425 -13.380 -2.301 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.554 -11.979 -2.521 1.00 0.00 C ATOM 0 H VAL A 6 10.642 -12.369 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 6 13.106 -10.716 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 6 12.566 -11.255 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.718 -13.581 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.338 -13.344 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.803 -14.173 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.776 -12.231 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 6 15.041 -12.697 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.924 -10.977 -2.738 1.00 0.00 H new ATOM 101 N GLU A 7 14.349 -12.568 -5.734 1.00 0.00 N ATOM 102 CA GLU A 7 14.999 -13.555 -6.608 1.00 0.00 C ATOM 103 C GLU A 7 15.900 -14.473 -5.763 1.00 0.00 C ATOM 104 O GLU A 7 16.810 -14.006 -5.073 1.00 0.00 O ATOM 105 CB GLU A 7 15.811 -12.864 -7.734 1.00 0.00 C ATOM 106 CG GLU A 7 14.964 -12.205 -8.848 1.00 0.00 C ATOM 107 CD GLU A 7 14.023 -11.077 -8.377 1.00 0.00 C ATOM 108 OE1 GLU A 7 14.527 -10.022 -7.941 1.00 0.00 O ATOM 109 OE2 GLU A 7 12.781 -11.245 -8.436 1.00 0.00 O ATOM 0 H GLU A 7 14.909 -11.732 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 7 14.229 -14.156 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.448 -12.102 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.470 -13.602 -8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.638 -11.802 -9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.366 -12.977 -9.332 1.00 0.00 H new ATOM 116 N THR A 8 15.608 -15.773 -5.821 1.00 0.00 N ATOM 117 CA THR A 8 16.340 -16.838 -5.118 1.00 0.00 C ATOM 118 C THR A 8 16.965 -17.794 -6.170 1.00 0.00 C ATOM 119 O THR A 8 16.523 -17.788 -7.325 1.00 0.00 O ATOM 120 CB THR A 8 15.363 -17.635 -4.188 1.00 0.00 C ATOM 121 OG1 THR A 8 14.311 -18.219 -4.970 1.00 0.00 O ATOM 122 CG2 THR A 8 14.752 -16.743 -3.098 1.00 0.00 C ATOM 0 H THR A 8 14.830 -16.130 -6.376 1.00 0.00 H new ATOM 0 HA THR A 8 17.126 -16.400 -4.503 1.00 0.00 H new ATOM 0 HB THR A 8 15.944 -18.416 -3.698 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.303 -17.813 -5.862 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.081 -17.336 -2.476 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.548 -16.328 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.193 -15.931 -3.563 1.00 0.00 H new ATOM 130 N PRO A 9 18.005 -18.623 -5.820 1.00 0.00 N ATOM 131 CA PRO A 9 18.581 -19.631 -6.755 1.00 0.00 C ATOM 132 C PRO A 9 17.565 -20.729 -7.187 1.00 0.00 C ATOM 133 O PRO A 9 17.809 -21.453 -8.158 1.00 0.00 O ATOM 134 CB PRO A 9 19.787 -20.227 -5.966 1.00 0.00 C ATOM 135 CG PRO A 9 19.502 -19.910 -4.527 1.00 0.00 C ATOM 136 CD PRO A 9 18.751 -18.595 -4.536 1.00 0.00 C ATOM 0 HA PRO A 9 18.875 -19.176 -7.701 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.870 -21.302 -6.125 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.729 -19.783 -6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.907 -20.697 -4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.426 -19.829 -3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 9 18.077 -18.513 -3.683 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.432 -17.745 -4.487 1.00 0.00 H new ATOM 144 N ARG A 10 16.434 -20.833 -6.461 1.00 0.00 N ATOM 145 CA ARG A 10 15.342 -21.796 -6.769 1.00 0.00 C ATOM 146 C ARG A 10 14.223 -21.157 -7.637 1.00 0.00 C ATOM 147 O ARG A 10 13.277 -21.848 -8.043 1.00 0.00 O ATOM 148 CB ARG A 10 14.768 -22.376 -5.445 1.00 0.00 C ATOM 149 CG ARG A 10 14.211 -21.321 -4.465 1.00 0.00 C ATOM 150 CD ARG A 10 13.793 -21.910 -3.109 1.00 0.00 C ATOM 151 NE ARG A 10 12.624 -22.797 -3.190 1.00 0.00 N ATOM 152 CZ ARG A 10 12.139 -23.530 -2.172 1.00 0.00 C ATOM 153 NH1 ARG A 10 12.781 -23.599 -1.002 1.00 0.00 N ATOM 154 NH2 ARG A 10 11.022 -24.213 -2.339 1.00 0.00 N ATOM 0 H ARG A 10 16.246 -20.254 -5.643 1.00 0.00 H new ATOM 0 HA ARG A 10 15.763 -22.608 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.973 -23.081 -5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.553 -22.941 -4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.967 -20.552 -4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.351 -20.831 -4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.632 -22.465 -2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.573 -21.095 -2.420 1.00 0.00 H new ATOM 0 HE ARG A 10 12.143 -22.862 -4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.655 -23.090 -0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.397 -24.160 -0.242 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.534 -24.182 -3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.646 -24.772 -1.573 1.00 0.00 H new ATOM 168 N GLY A 11 14.337 -19.840 -7.914 1.00 0.00 N ATOM 169 CA GLY A 11 13.402 -19.123 -8.804 1.00 0.00 C ATOM 170 C GLY A 11 12.959 -17.783 -8.241 1.00 0.00 C ATOM 171 O GLY A 11 13.727 -17.127 -7.542 1.00 0.00 O ATOM 0 H GLY A 11 15.074 -19.249 -7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.878 -18.965 -9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.525 -19.746 -8.978 1.00 0.00 H new ATOM 175 N GLU A 12 11.723 -17.365 -8.552 1.00 0.00 N ATOM 176 CA GLU A 12 11.127 -16.123 -8.013 1.00 0.00 C ATOM 177 C GLU A 12 10.163 -16.491 -6.875 1.00 0.00 C ATOM 178 O GLU A 12 9.320 -17.381 -7.032 1.00 0.00 O ATOM 179 CB GLU A 12 10.385 -15.339 -9.128 1.00 0.00 C ATOM 180 CG GLU A 12 9.809 -13.975 -8.685 1.00 0.00 C ATOM 181 CD GLU A 12 9.023 -13.275 -9.805 1.00 0.00 C ATOM 182 OE1 GLU A 12 9.654 -12.735 -10.738 1.00 0.00 O ATOM 183 OE2 GLU A 12 7.772 -13.299 -9.786 1.00 0.00 O ATOM 0 H GLU A 12 11.105 -17.875 -9.183 1.00 0.00 H new ATOM 0 HA GLU A 12 11.917 -15.478 -7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.073 -15.175 -9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.570 -15.956 -9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.156 -14.122 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.624 -13.329 -8.359 1.00 0.00 H new ATOM 190 N ILE A 13 10.303 -15.810 -5.731 1.00 0.00 N ATOM 191 CA ILE A 13 9.511 -16.084 -4.523 1.00 0.00 C ATOM 192 C ILE A 13 8.708 -14.821 -4.161 1.00 0.00 C ATOM 193 O ILE A 13 9.283 -13.784 -3.810 1.00 0.00 O ATOM 194 CB ILE A 13 10.419 -16.536 -3.318 1.00 0.00 C ATOM 195 CG1 ILE A 13 11.301 -17.766 -3.706 1.00 0.00 C ATOM 196 CG2 ILE A 13 9.568 -16.849 -2.065 1.00 0.00 C ATOM 197 CD1 ILE A 13 10.542 -19.021 -4.097 1.00 0.00 C ATOM 0 H ILE A 13 10.972 -15.049 -5.616 1.00 0.00 H new ATOM 0 HA ILE A 13 8.830 -16.910 -4.728 1.00 0.00 H new ATOM 0 HB ILE A 13 11.083 -15.706 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.946 -17.480 -4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.951 -18.004 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 13 10.221 -17.158 -1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.015 -15.958 -1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.867 -17.652 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.250 -19.811 -4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.918 -19.343 -3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.913 -18.811 -4.962 1.00 0.00 H new ATOM 209 N LEU A 14 7.379 -14.929 -4.279 1.00 0.00 N ATOM 210 CA LEU A 14 6.433 -13.828 -4.022 1.00 0.00 C ATOM 211 C LEU A 14 5.931 -13.881 -2.575 1.00 0.00 C ATOM 212 O LEU A 14 5.788 -14.978 -2.022 1.00 0.00 O ATOM 213 CB LEU A 14 5.234 -13.944 -4.994 1.00 0.00 C ATOM 214 CG LEU A 14 5.573 -13.852 -6.513 1.00 0.00 C ATOM 215 CD1 LEU A 14 4.359 -14.259 -7.367 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.076 -12.436 -6.886 1.00 0.00 C ATOM 0 H LEU A 14 6.920 -15.796 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 14 6.944 -12.878 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.734 -14.895 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.519 -13.157 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 14 6.381 -14.553 -6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.617 -14.188 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.076 -15.285 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.523 -13.593 -7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.305 -12.400 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.303 -11.703 -6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.975 -12.207 -6.314 1.00 0.00 H new ATOM 228 N ASN A 15 5.669 -12.682 -2.002 1.00 0.00 N ATOM 229 CA ASN A 15 5.019 -12.486 -0.686 1.00 0.00 C ATOM 230 C ASN A 15 5.717 -13.306 0.410 1.00 0.00 C ATOM 231 O ASN A 15 5.253 -14.386 0.793 1.00 0.00 O ATOM 232 CB ASN A 15 3.496 -12.793 -0.767 1.00 0.00 C ATOM 233 CG ASN A 15 2.759 -11.968 -1.836 1.00 0.00 C ATOM 234 OD1 ASN A 15 3.159 -10.846 -2.164 1.00 0.00 O ATOM 235 ND2 ASN A 15 1.683 -12.519 -2.387 1.00 0.00 N ATOM 0 H ASN A 15 5.911 -11.801 -2.456 1.00 0.00 H new ATOM 0 HA ASN A 15 5.123 -11.437 -0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.358 -13.853 -0.979 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.043 -12.601 0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.161 -12.014 -3.103 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.379 -13.447 -2.094 1.00 0.00 H new ATOM 242 N VAL A 16 6.859 -12.796 0.878 1.00 0.00 N ATOM 243 CA VAL A 16 7.781 -13.556 1.730 1.00 0.00 C ATOM 244 C VAL A 16 8.613 -12.604 2.608 1.00 0.00 C ATOM 245 O VAL A 16 9.048 -11.557 2.141 1.00 0.00 O ATOM 246 CB VAL A 16 8.714 -14.455 0.830 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.524 -13.608 -0.188 1.00 0.00 C ATOM 248 CG2 VAL A 16 9.633 -15.356 1.682 1.00 0.00 C ATOM 0 H VAL A 16 7.171 -11.846 0.678 1.00 0.00 H new ATOM 0 HA VAL A 16 7.206 -14.203 2.393 1.00 0.00 H new ATOM 0 HB VAL A 16 8.064 -15.113 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.154 -14.265 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.837 -13.068 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.150 -12.895 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.260 -15.960 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.265 -14.735 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.024 -16.011 2.306 1.00 0.00 H new ATOM 258 N SER A 17 8.806 -12.956 3.888 1.00 0.00 N ATOM 259 CA SER A 17 9.620 -12.153 4.821 1.00 0.00 C ATOM 260 C SER A 17 11.127 -12.319 4.529 1.00 0.00 C ATOM 261 O SER A 17 11.525 -13.246 3.828 1.00 0.00 O ATOM 262 CB SER A 17 9.296 -12.559 6.273 1.00 0.00 C ATOM 263 OG SER A 17 9.514 -13.937 6.497 1.00 0.00 O ATOM 0 H SER A 17 8.407 -13.797 4.305 1.00 0.00 H new ATOM 0 HA SER A 17 9.373 -11.100 4.683 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.913 -11.978 6.958 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.257 -12.315 6.495 1.00 0.00 H new ATOM 0 HG SER A 17 8.657 -14.411 6.478 1.00 0.00 H new ATOM 269 N GLU A 18 11.947 -11.416 5.094 1.00 0.00 N ATOM 270 CA GLU A 18 13.424 -11.474 4.991 1.00 0.00 C ATOM 271 C GLU A 18 13.957 -12.754 5.656 1.00 0.00 C ATOM 272 O GLU A 18 14.935 -13.352 5.194 1.00 0.00 O ATOM 273 CB GLU A 18 14.017 -10.216 5.675 1.00 0.00 C ATOM 274 CG GLU A 18 13.622 -8.894 4.989 1.00 0.00 C ATOM 275 CD GLU A 18 13.795 -7.653 5.877 1.00 0.00 C ATOM 276 OE1 GLU A 18 14.936 -7.182 6.043 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.781 -7.147 6.422 1.00 0.00 O ATOM 0 H GLU A 18 11.608 -10.622 5.637 1.00 0.00 H new ATOM 0 HA GLU A 18 13.721 -11.495 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.688 -10.189 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.104 -10.298 5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.223 -8.770 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.581 -8.958 4.671 1.00 0.00 H new ATOM 284 N GLN A 19 13.280 -13.160 6.745 1.00 0.00 N ATOM 285 CA GLN A 19 13.582 -14.395 7.480 1.00 0.00 C ATOM 286 C GLN A 19 13.327 -15.618 6.588 1.00 0.00 C ATOM 287 O GLN A 19 14.248 -16.374 6.289 1.00 0.00 O ATOM 288 CB GLN A 19 12.713 -14.489 8.759 1.00 0.00 C ATOM 289 CG GLN A 19 12.993 -15.728 9.646 1.00 0.00 C ATOM 290 CD GLN A 19 12.012 -15.859 10.806 1.00 0.00 C ATOM 291 OE1 GLN A 19 12.221 -15.291 11.878 1.00 0.00 O ATOM 292 NE2 GLN A 19 10.934 -16.604 10.605 1.00 0.00 N ATOM 0 H GLN A 19 12.501 -12.633 7.141 1.00 0.00 H new ATOM 0 HA GLN A 19 14.633 -14.376 7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.871 -13.590 9.355 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.663 -14.498 8.468 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.944 -16.627 9.032 1.00 0.00 H new ATOM 0 HG3 GLN A 19 14.008 -15.665 10.040 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.791 -17.061 9.705 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.248 -16.720 11.351 1.00 0.00 H new ATOM 301 N GLU A 20 12.062 -15.739 6.134 1.00 0.00 N ATOM 302 CA GLU A 20 11.559 -16.913 5.387 1.00 0.00 C ATOM 303 C GLU A 20 12.364 -17.115 4.085 1.00 0.00 C ATOM 304 O GLU A 20 12.757 -18.236 3.754 1.00 0.00 O ATOM 305 CB GLU A 20 10.047 -16.721 5.053 1.00 0.00 C ATOM 306 CG GLU A 20 9.257 -18.011 4.749 1.00 0.00 C ATOM 307 CD GLU A 20 8.862 -18.787 6.016 1.00 0.00 C ATOM 308 OE1 GLU A 20 7.881 -18.388 6.674 1.00 0.00 O ATOM 309 OE2 GLU A 20 9.521 -19.782 6.368 1.00 0.00 O ATOM 0 H GLU A 20 11.354 -15.019 6.276 1.00 0.00 H new ATOM 0 HA GLU A 20 11.680 -17.799 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.570 -16.215 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.966 -16.057 4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.356 -17.756 4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.858 -18.656 4.107 1.00 0.00 H new ATOM 316 N ALA A 21 12.552 -15.998 3.353 1.00 0.00 N ATOM 317 CA ALA A 21 13.365 -15.939 2.123 1.00 0.00 C ATOM 318 C ALA A 21 14.773 -16.546 2.308 1.00 0.00 C ATOM 319 O ALA A 21 15.158 -17.424 1.559 1.00 0.00 O ATOM 320 CB ALA A 21 13.444 -14.491 1.614 1.00 0.00 C ATOM 0 H ALA A 21 12.138 -15.100 3.604 1.00 0.00 H new ATOM 0 HA ALA A 21 12.868 -16.553 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.046 -14.457 0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.440 -14.126 1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.902 -13.862 2.377 1.00 0.00 H new ATOM 326 N ARG A 22 15.522 -16.100 3.331 1.00 0.00 N ATOM 327 CA ARG A 22 16.908 -16.589 3.568 1.00 0.00 C ATOM 328 C ARG A 22 16.930 -18.025 4.131 1.00 0.00 C ATOM 329 O ARG A 22 17.821 -18.816 3.798 1.00 0.00 O ATOM 330 CB ARG A 22 17.672 -15.635 4.526 1.00 0.00 C ATOM 331 CG ARG A 22 17.941 -14.244 3.939 1.00 0.00 C ATOM 332 CD ARG A 22 18.761 -13.333 4.866 1.00 0.00 C ATOM 333 NE ARG A 22 20.079 -13.903 5.182 1.00 0.00 N ATOM 334 CZ ARG A 22 20.974 -13.369 6.021 1.00 0.00 C ATOM 335 NH1 ARG A 22 20.749 -12.199 6.614 1.00 0.00 N ATOM 336 NH2 ARG A 22 22.113 -14.004 6.240 1.00 0.00 N ATOM 0 H ARG A 22 15.202 -15.407 4.007 1.00 0.00 H new ATOM 0 HA ARG A 22 17.408 -16.603 2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 22 17.098 -15.525 5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 22 18.623 -16.094 4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.469 -14.354 2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.989 -13.761 3.719 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.892 -12.360 4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.208 -13.166 5.790 1.00 0.00 H new ATOM 0 HE ARG A 22 20.332 -14.778 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.882 -11.693 6.432 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.443 -11.808 7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 22 22.301 -14.890 5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 22 22.804 -13.607 6.877 1.00 0.00 H new ATOM 350 N ASP A 23 15.942 -18.339 4.977 1.00 0.00 N ATOM 351 CA ASP A 23 15.906 -19.588 5.768 1.00 0.00 C ATOM 352 C ASP A 23 15.457 -20.783 4.899 1.00 0.00 C ATOM 353 O ASP A 23 16.184 -21.768 4.748 1.00 0.00 O ATOM 354 CB ASP A 23 14.969 -19.387 6.995 1.00 0.00 C ATOM 355 CG ASP A 23 14.858 -20.616 7.915 1.00 0.00 C ATOM 356 OD1 ASP A 23 15.815 -20.905 8.663 1.00 0.00 O ATOM 357 OD2 ASP A 23 13.807 -21.289 7.907 1.00 0.00 O ATOM 0 H ASP A 23 15.137 -17.734 5.138 1.00 0.00 H new ATOM 0 HA ASP A 23 16.909 -19.819 6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.332 -18.542 7.580 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.973 -19.124 6.638 1.00 0.00 H new ATOM 362 N VAL A 24 14.262 -20.663 4.318 1.00 0.00 N ATOM 363 CA VAL A 24 13.630 -21.724 3.511 1.00 0.00 C ATOM 364 C VAL A 24 14.048 -21.633 2.031 1.00 0.00 C ATOM 365 O VAL A 24 14.356 -22.648 1.397 1.00 0.00 O ATOM 366 CB VAL A 24 12.060 -21.641 3.645 1.00 0.00 C ATOM 367 CG1 VAL A 24 11.331 -22.639 2.701 1.00 0.00 C ATOM 368 CG2 VAL A 24 11.639 -21.863 5.119 1.00 0.00 C ATOM 0 H VAL A 24 13.694 -19.819 4.392 1.00 0.00 H new ATOM 0 HA VAL A 24 13.972 -22.686 3.892 1.00 0.00 H new ATOM 0 HB VAL A 24 11.756 -20.641 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.253 -22.542 2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.592 -22.418 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.636 -23.657 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.554 -21.804 5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.974 -22.846 5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.092 -21.096 5.746 1.00 0.00 H new ATOM 378 N PHE A 25 14.061 -20.409 1.490 1.00 0.00 N ATOM 379 CA PHE A 25 14.216 -20.180 0.035 1.00 0.00 C ATOM 380 C PHE A 25 15.665 -19.862 -0.371 1.00 0.00 C ATOM 381 O PHE A 25 15.977 -19.837 -1.570 1.00 0.00 O ATOM 382 CB PHE A 25 13.243 -19.063 -0.411 1.00 0.00 C ATOM 383 CG PHE A 25 11.784 -19.387 -0.085 1.00 0.00 C ATOM 384 CD1 PHE A 25 11.103 -20.371 -0.799 1.00 0.00 C ATOM 385 CD2 PHE A 25 11.099 -18.731 0.937 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.795 -20.684 -0.504 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.786 -19.046 1.229 1.00 0.00 C ATOM 388 CZ PHE A 25 9.134 -20.022 0.509 1.00 0.00 C ATOM 0 H PHE A 25 13.966 -19.553 2.036 1.00 0.00 H new ATOM 0 HA PHE A 25 13.966 -21.107 -0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.521 -18.128 0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.345 -18.905 -1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.609 -20.896 -1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.602 -17.965 1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.285 -21.451 -1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.270 -18.526 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.108 -20.268 0.737 1.00 0.00 H new ATOM 398 N GLY A 26 16.531 -19.623 0.627 1.00 0.00 N ATOM 399 CA GLY A 26 17.959 -19.390 0.397 1.00 0.00 C ATOM 400 C GLY A 26 18.254 -18.135 -0.426 1.00 0.00 C ATOM 401 O GLY A 26 19.114 -18.155 -1.313 1.00 0.00 O ATOM 0 H GLY A 26 16.259 -19.587 1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.464 -19.309 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.381 -20.256 -0.113 1.00 0.00 H new ATOM 405 N ALA A 27 17.531 -17.046 -0.118 1.00 0.00 N ATOM 406 CA ALA A 27 17.694 -15.737 -0.785 1.00 0.00 C ATOM 407 C ALA A 27 18.944 -15.022 -0.275 1.00 0.00 C ATOM 408 O ALA A 27 19.215 -15.027 0.932 1.00 0.00 O ATOM 409 CB ALA A 27 16.464 -14.844 -0.564 1.00 0.00 C ATOM 0 H ALA A 27 16.811 -17.046 0.605 1.00 0.00 H new ATOM 0 HA ALA A 27 17.801 -15.925 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.613 -13.888 -1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.580 -15.334 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 27 16.324 -14.675 0.504 1.00 0.00 H new ATOM 415 N SER A 28 19.678 -14.391 -1.192 1.00 0.00 N ATOM 416 CA SER A 28 20.931 -13.690 -0.882 1.00 0.00 C ATOM 417 C SER A 28 20.643 -12.362 -0.169 1.00 0.00 C ATOM 418 O SER A 28 19.607 -11.751 -0.409 1.00 0.00 O ATOM 419 CB SER A 28 21.721 -13.427 -2.179 1.00 0.00 C ATOM 420 OG SER A 28 22.958 -12.771 -1.917 1.00 0.00 O ATOM 0 H SER A 28 19.421 -14.350 -2.178 1.00 0.00 H new ATOM 0 HA SER A 28 21.526 -14.319 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 28 21.911 -14.372 -2.688 1.00 0.00 H new ATOM 0 HB3 SER A 28 21.121 -12.817 -2.854 1.00 0.00 H new ATOM 0 HG SER A 28 23.434 -12.621 -2.760 1.00 0.00 H new ATOM 426 N GLU A 29 21.580 -11.900 0.671 1.00 0.00 N ATOM 427 CA GLU A 29 21.450 -10.605 1.380 1.00 0.00 C ATOM 428 C GLU A 29 21.445 -9.422 0.382 1.00 0.00 C ATOM 429 O GLU A 29 20.869 -8.357 0.662 1.00 0.00 O ATOM 430 CB GLU A 29 22.566 -10.453 2.425 1.00 0.00 C ATOM 431 CG GLU A 29 22.609 -11.598 3.447 1.00 0.00 C ATOM 432 CD GLU A 29 23.687 -11.406 4.522 1.00 0.00 C ATOM 433 OE1 GLU A 29 23.422 -10.702 5.518 1.00 0.00 O ATOM 434 OE2 GLU A 29 24.808 -11.938 4.371 1.00 0.00 O ATOM 0 H GLU A 29 22.443 -12.402 0.881 1.00 0.00 H new ATOM 0 HA GLU A 29 20.494 -10.593 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 29 23.527 -10.397 1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 29 22.431 -9.509 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 29 21.635 -11.683 3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 29 22.789 -12.537 2.924 1.00 0.00 H new ATOM 441 N GLN A 30 22.055 -9.646 -0.804 1.00 0.00 N ATOM 442 CA GLN A 30 21.979 -8.707 -1.939 1.00 0.00 C ATOM 443 C GLN A 30 20.535 -8.658 -2.465 1.00 0.00 C ATOM 444 O GLN A 30 20.007 -7.588 -2.759 1.00 0.00 O ATOM 445 CB GLN A 30 22.930 -9.118 -3.095 1.00 0.00 C ATOM 446 CG GLN A 30 24.436 -9.064 -2.754 1.00 0.00 C ATOM 447 CD GLN A 30 25.351 -9.265 -3.974 1.00 0.00 C ATOM 448 OE1 GLN A 30 24.996 -8.905 -5.100 1.00 0.00 O ATOM 449 NE2 GLN A 30 26.531 -9.844 -3.764 1.00 0.00 N ATOM 0 H GLN A 30 22.610 -10.479 -0.998 1.00 0.00 H new ATOM 0 HA GLN A 30 22.289 -7.725 -1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 30 22.680 -10.132 -3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 30 22.743 -8.466 -3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.662 -8.101 -2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.660 -9.831 -2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 30 26.798 -10.131 -2.822 1.00 0.00 H new ATOM 0 HE22 GLN A 30 27.168 -10.000 -4.545 1.00 0.00 H new ATOM 458 N ALA A 31 19.896 -9.843 -2.500 1.00 0.00 N ATOM 459 CA ALA A 31 18.529 -10.032 -3.025 1.00 0.00 C ATOM 460 C ALA A 31 17.491 -9.579 -1.978 1.00 0.00 C ATOM 461 O ALA A 31 16.382 -9.189 -2.330 1.00 0.00 O ATOM 462 CB ALA A 31 18.302 -11.510 -3.407 1.00 0.00 C ATOM 0 H ALA A 31 20.319 -10.707 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 31 18.409 -9.422 -3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.290 -11.635 -3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 31 19.021 -11.802 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.435 -12.138 -2.526 1.00 0.00 H new ATOM 468 N ILE A 32 17.891 -9.592 -0.687 1.00 0.00 N ATOM 469 CA ILE A 32 16.968 -9.326 0.439 1.00 0.00 C ATOM 470 C ILE A 32 16.797 -7.822 0.575 1.00 0.00 C ATOM 471 O ILE A 32 15.682 -7.325 0.749 1.00 0.00 O ATOM 472 CB ILE A 32 17.498 -9.929 1.796 1.00 0.00 C ATOM 473 CG1 ILE A 32 17.395 -11.478 1.781 1.00 0.00 C ATOM 474 CG2 ILE A 32 16.770 -9.339 3.037 1.00 0.00 C ATOM 475 CD1 ILE A 32 15.986 -12.014 1.668 1.00 0.00 C ATOM 0 H ILE A 32 18.850 -9.785 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 32 16.014 -9.807 0.226 1.00 0.00 H new ATOM 0 HB ILE A 32 18.547 -9.645 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.983 -11.860 0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.846 -11.868 2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 32 17.174 -9.789 3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.921 -8.260 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.704 -9.554 2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.010 -13.104 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.395 -11.667 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.535 -11.659 0.742 1.00 0.00 H new ATOM 487 N ALA A 33 17.921 -7.105 0.438 1.00 0.00 N ATOM 488 CA ALA A 33 17.959 -5.660 0.622 1.00 0.00 C ATOM 489 C ALA A 33 17.380 -4.989 -0.631 1.00 0.00 C ATOM 490 O ALA A 33 16.740 -3.949 -0.542 1.00 0.00 O ATOM 491 CB ALA A 33 19.396 -5.199 0.890 1.00 0.00 C ATOM 0 H ALA A 33 18.823 -7.515 0.197 1.00 0.00 H new ATOM 0 HA ALA A 33 17.358 -5.375 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 33 19.412 -4.118 1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.771 -5.683 1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.028 -5.468 0.044 1.00 0.00 H new ATOM 497 N ASP A 34 17.642 -5.624 -1.800 1.00 0.00 N ATOM 498 CA ASP A 34 17.117 -5.207 -3.121 1.00 0.00 C ATOM 499 C ASP A 34 15.584 -5.310 -3.190 1.00 0.00 C ATOM 500 O ASP A 34 14.906 -4.364 -3.604 1.00 0.00 O ATOM 501 CB ASP A 34 17.748 -6.100 -4.218 1.00 0.00 C ATOM 502 CG ASP A 34 17.385 -5.704 -5.656 1.00 0.00 C ATOM 503 OD1 ASP A 34 17.822 -4.623 -6.116 1.00 0.00 O ATOM 504 OD2 ASP A 34 16.680 -6.474 -6.343 1.00 0.00 O ATOM 0 H ASP A 34 18.234 -6.453 -1.851 1.00 0.00 H new ATOM 0 HA ASP A 34 17.383 -4.162 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.832 -6.072 -4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.438 -7.131 -4.050 1.00 0.00 H new ATOM 509 N ALA A 35 15.052 -6.470 -2.769 1.00 0.00 N ATOM 510 CA ALA A 35 13.609 -6.774 -2.868 1.00 0.00 C ATOM 511 C ALA A 35 12.805 -6.023 -1.797 1.00 0.00 C ATOM 512 O ALA A 35 11.653 -5.629 -2.033 1.00 0.00 O ATOM 513 CB ALA A 35 13.390 -8.277 -2.747 1.00 0.00 C ATOM 0 H ALA A 35 15.603 -7.220 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 35 13.253 -6.438 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.325 -8.497 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.922 -8.788 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.766 -8.623 -1.784 1.00 0.00 H new ATOM 519 N ARG A 36 13.421 -5.873 -0.605 1.00 0.00 N ATOM 520 CA ARG A 36 12.881 -5.019 0.470 1.00 0.00 C ATOM 521 C ARG A 36 12.795 -3.570 -0.019 1.00 0.00 C ATOM 522 O ARG A 36 11.744 -2.937 0.088 1.00 0.00 O ATOM 523 CB ARG A 36 13.756 -5.088 1.747 1.00 0.00 C ATOM 524 CG ARG A 36 13.227 -4.253 2.938 1.00 0.00 C ATOM 525 CD ARG A 36 14.192 -4.261 4.125 1.00 0.00 C ATOM 526 NE ARG A 36 15.507 -3.691 3.765 1.00 0.00 N ATOM 527 CZ ARG A 36 16.699 -4.253 4.014 1.00 0.00 C ATOM 528 NH1 ARG A 36 16.789 -5.447 4.589 1.00 0.00 N ATOM 529 NH2 ARG A 36 17.803 -3.613 3.667 1.00 0.00 N ATOM 0 H ARG A 36 14.297 -6.336 -0.364 1.00 0.00 H new ATOM 0 HA ARG A 36 11.887 -5.386 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.839 -6.129 2.059 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.762 -4.748 1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.061 -3.226 2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.261 -4.647 3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.761 -3.691 4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.323 -5.283 4.480 1.00 0.00 H new ATOM 0 HE ARG A 36 15.508 -2.791 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.942 -5.953 4.849 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.705 -5.858 4.770 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.743 -2.701 3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.715 -4.032 3.852 1.00 0.00 H new ATOM 543 N LYS A 37 13.915 -3.092 -0.596 1.00 0.00 N ATOM 544 CA LYS A 37 14.013 -1.761 -1.240 1.00 0.00 C ATOM 545 C LYS A 37 12.948 -1.596 -2.325 1.00 0.00 C ATOM 546 O LYS A 37 12.404 -0.521 -2.481 1.00 0.00 O ATOM 547 CB LYS A 37 15.410 -1.573 -1.891 1.00 0.00 C ATOM 548 CG LYS A 37 15.590 -0.304 -2.777 1.00 0.00 C ATOM 549 CD LYS A 37 16.766 -0.439 -3.766 1.00 0.00 C ATOM 550 CE LYS A 37 16.537 -1.577 -4.782 1.00 0.00 C ATOM 551 NZ LYS A 37 17.665 -1.720 -5.732 1.00 0.00 N ATOM 0 H LYS A 37 14.786 -3.621 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 37 13.859 -1.012 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.157 -1.546 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.625 -2.450 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.671 -0.119 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.755 0.562 -2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.901 0.502 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.686 -0.627 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.395 -2.516 -4.246 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.619 -1.385 -5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.820 -2.728 -5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.442 -1.216 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.526 -1.317 -5.311 1.00 0.00 H new ATOM 565 N ALA A 38 12.619 -2.690 -3.024 1.00 0.00 N ATOM 566 CA ALA A 38 11.765 -2.636 -4.214 1.00 0.00 C ATOM 567 C ALA A 38 10.297 -2.452 -3.791 1.00 0.00 C ATOM 568 O ALA A 38 9.590 -1.580 -4.309 1.00 0.00 O ATOM 569 CB ALA A 38 11.936 -3.916 -5.042 1.00 0.00 C ATOM 0 H ALA A 38 12.935 -3.629 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 38 12.058 -1.787 -4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.298 -3.867 -5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.977 -4.012 -5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.656 -4.780 -4.439 1.00 0.00 H new ATOM 575 N THR A 39 9.888 -3.262 -2.787 1.00 0.00 N ATOM 576 CA THR A 39 8.525 -3.257 -2.239 1.00 0.00 C ATOM 577 C THR A 39 8.265 -1.938 -1.480 1.00 0.00 C ATOM 578 O THR A 39 7.188 -1.361 -1.604 1.00 0.00 O ATOM 579 CB THR A 39 8.296 -4.493 -1.299 1.00 0.00 C ATOM 580 OG1 THR A 39 8.646 -5.708 -1.988 1.00 0.00 O ATOM 581 CG2 THR A 39 6.834 -4.593 -0.810 1.00 0.00 C ATOM 0 H THR A 39 10.504 -3.939 -2.336 1.00 0.00 H new ATOM 0 HA THR A 39 7.818 -3.330 -3.066 1.00 0.00 H new ATOM 0 HB THR A 39 8.935 -4.354 -0.427 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.621 -5.776 -2.057 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.725 -5.464 -0.163 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.574 -3.693 -0.253 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.169 -4.694 -1.668 1.00 0.00 H new ATOM 589 N ILE A 40 9.288 -1.451 -0.741 1.00 0.00 N ATOM 590 CA ILE A 40 9.235 -0.154 -0.026 1.00 0.00 C ATOM 591 C ILE A 40 9.089 1.001 -1.039 1.00 0.00 C ATOM 592 O ILE A 40 8.077 1.689 -1.028 1.00 0.00 O ATOM 593 CB ILE A 40 10.501 0.054 0.912 1.00 0.00 C ATOM 594 CG1 ILE A 40 10.449 -0.920 2.139 1.00 0.00 C ATOM 595 CG2 ILE A 40 10.664 1.528 1.389 1.00 0.00 C ATOM 596 CD1 ILE A 40 9.270 -0.705 3.079 1.00 0.00 C ATOM 0 H ILE A 40 10.173 -1.945 -0.623 1.00 0.00 H new ATOM 0 HA ILE A 40 8.360 -0.159 0.624 1.00 0.00 H new ATOM 0 HB ILE A 40 11.378 -0.181 0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.418 -1.945 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.373 -0.814 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.545 1.609 2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.781 2.180 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.780 1.828 1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.320 -1.425 3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.307 0.306 3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.338 -0.842 2.531 1.00 0.00 H new ATOM 608 N LEU A 41 10.074 1.128 -1.961 1.00 0.00 N ATOM 609 CA LEU A 41 10.121 2.181 -3.031 1.00 0.00 C ATOM 610 C LEU A 41 8.820 2.232 -3.857 1.00 0.00 C ATOM 611 O LEU A 41 8.431 3.297 -4.365 1.00 0.00 O ATOM 612 CB LEU A 41 11.408 1.974 -3.928 1.00 0.00 C ATOM 613 CG LEU A 41 11.353 2.332 -5.471 1.00 0.00 C ATOM 614 CD1 LEU A 41 12.744 2.758 -6.006 1.00 0.00 C ATOM 615 CD2 LEU A 41 10.811 1.137 -6.315 1.00 0.00 C ATOM 0 H LEU A 41 10.875 0.497 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 41 10.196 3.158 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.212 2.562 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.697 0.926 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 41 10.667 3.173 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.668 2.996 -7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.090 3.636 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.453 1.942 -5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.787 1.417 -7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.463 0.274 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.804 0.884 -5.983 1.00 0.00 H new ATOM 627 N GLN A 42 8.134 1.087 -3.947 1.00 0.00 N ATOM 628 CA GLN A 42 6.875 0.956 -4.678 1.00 0.00 C ATOM 629 C GLN A 42 5.742 1.537 -3.802 1.00 0.00 C ATOM 630 O GLN A 42 5.036 2.462 -4.206 1.00 0.00 O ATOM 631 CB GLN A 42 6.629 -0.547 -4.984 1.00 0.00 C ATOM 632 CG GLN A 42 5.413 -0.856 -5.871 1.00 0.00 C ATOM 633 CD GLN A 42 5.115 -2.353 -5.972 1.00 0.00 C ATOM 634 OE1 GLN A 42 5.602 -3.040 -6.868 1.00 0.00 O ATOM 635 NE2 GLN A 42 4.334 -2.872 -5.037 1.00 0.00 N ATOM 0 H GLN A 42 8.443 0.219 -3.509 1.00 0.00 H new ATOM 0 HA GLN A 42 6.908 1.501 -5.622 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.519 -0.951 -5.466 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.510 -1.077 -4.039 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.538 -0.343 -5.471 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.588 -0.457 -6.870 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.946 -2.274 -4.307 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.121 -3.869 -5.047 1.00 0.00 H new ATOM 644 N THR A 43 5.676 1.025 -2.554 1.00 0.00 N ATOM 645 CA THR A 43 4.592 1.307 -1.583 1.00 0.00 C ATOM 646 C THR A 43 4.547 2.796 -1.155 1.00 0.00 C ATOM 647 O THR A 43 3.463 3.335 -0.936 1.00 0.00 O ATOM 648 CB THR A 43 4.744 0.377 -0.325 1.00 0.00 C ATOM 649 OG1 THR A 43 4.669 -1.002 -0.729 1.00 0.00 O ATOM 650 CG2 THR A 43 3.676 0.622 0.754 1.00 0.00 C ATOM 0 H THR A 43 6.386 0.393 -2.185 1.00 0.00 H new ATOM 0 HA THR A 43 3.646 1.095 -2.082 1.00 0.00 H new ATOM 0 HB THR A 43 5.714 0.615 0.111 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.528 -1.278 -1.112 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.843 -0.055 1.592 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.740 1.653 1.102 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.686 0.442 0.334 1.00 0.00 H new ATOM 658 N LEU A 44 5.724 3.462 -1.082 1.00 0.00 N ATOM 659 CA LEU A 44 5.821 4.894 -0.688 1.00 0.00 C ATOM 660 C LEU A 44 5.020 5.770 -1.671 1.00 0.00 C ATOM 661 O LEU A 44 4.417 6.779 -1.292 1.00 0.00 O ATOM 662 CB LEU A 44 7.306 5.388 -0.660 1.00 0.00 C ATOM 663 CG LEU A 44 8.341 4.549 0.168 1.00 0.00 C ATOM 664 CD1 LEU A 44 9.692 5.286 0.323 1.00 0.00 C ATOM 665 CD2 LEU A 44 7.768 4.091 1.524 1.00 0.00 C ATOM 0 H LEU A 44 6.625 3.031 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 44 5.408 4.983 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.662 5.437 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.313 6.406 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 44 8.541 3.644 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.379 4.669 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.118 5.476 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.533 6.233 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.521 3.514 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.490 4.964 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.887 3.471 1.356 1.00 0.00 H new ATOM 677 N ARG A 45 5.022 5.345 -2.939 1.00 0.00 N ATOM 678 CA ARG A 45 4.375 6.061 -4.043 1.00 0.00 C ATOM 679 C ARG A 45 2.961 5.524 -4.328 1.00 0.00 C ATOM 680 O ARG A 45 2.158 6.224 -4.952 1.00 0.00 O ATOM 681 CB ARG A 45 5.273 5.974 -5.291 1.00 0.00 C ATOM 682 CG ARG A 45 6.636 6.675 -5.113 1.00 0.00 C ATOM 683 CD ARG A 45 7.542 6.542 -6.342 1.00 0.00 C ATOM 684 NE ARG A 45 8.722 7.416 -6.242 1.00 0.00 N ATOM 685 CZ ARG A 45 9.957 7.116 -6.643 1.00 0.00 C ATOM 686 NH1 ARG A 45 10.259 5.902 -7.096 1.00 0.00 N ATOM 687 NH2 ARG A 45 10.895 8.041 -6.580 1.00 0.00 N ATOM 0 H ARG A 45 5.480 4.482 -3.231 1.00 0.00 H new ATOM 0 HA ARG A 45 4.251 7.106 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.441 4.925 -5.537 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.751 6.420 -6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.470 7.732 -4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.145 6.254 -4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.864 5.506 -6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.977 6.793 -7.240 1.00 0.00 H new ATOM 0 HE ARG A 45 8.581 8.337 -5.827 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.539 5.181 -7.141 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.210 5.693 -7.398 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.671 8.972 -6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.845 7.826 -6.883 1.00 0.00 H new ATOM 701 N ILE A 46 2.654 4.295 -3.867 1.00 0.00 N ATOM 702 CA ILE A 46 1.294 3.736 -3.970 1.00 0.00 C ATOM 703 C ILE A 46 0.381 4.400 -2.929 1.00 0.00 C ATOM 704 O ILE A 46 -0.584 5.059 -3.299 1.00 0.00 O ATOM 705 CB ILE A 46 1.249 2.174 -3.781 1.00 0.00 C ATOM 706 CG1 ILE A 46 2.070 1.446 -4.884 1.00 0.00 C ATOM 707 CG2 ILE A 46 -0.213 1.648 -3.765 1.00 0.00 C ATOM 708 CD1 ILE A 46 2.101 -0.067 -4.743 1.00 0.00 C ATOM 0 H ILE A 46 3.328 3.673 -3.421 1.00 0.00 H new ATOM 0 HA ILE A 46 0.945 3.947 -4.981 1.00 0.00 H new ATOM 0 HB ILE A 46 1.703 1.955 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.653 1.700 -5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.093 1.822 -4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.209 0.566 -3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.758 2.112 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.699 1.897 -4.708 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.694 -0.496 -5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.547 -0.334 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.085 -0.458 -4.792 1.00 0.00 H new ATOM 720 N GLU A 47 0.744 4.244 -1.634 1.00 0.00 N ATOM 721 CA GLU A 47 -0.085 4.664 -0.481 1.00 0.00 C ATOM 722 C GLU A 47 -0.525 6.128 -0.576 1.00 0.00 C ATOM 723 O GLU A 47 -1.670 6.434 -0.278 1.00 0.00 O ATOM 724 CB GLU A 47 0.662 4.419 0.849 1.00 0.00 C ATOM 725 CG GLU A 47 0.980 2.951 1.161 1.00 0.00 C ATOM 726 CD GLU A 47 -0.275 2.065 1.257 1.00 0.00 C ATOM 727 OE1 GLU A 47 -0.920 2.055 2.328 1.00 0.00 O ATOM 728 OE2 GLU A 47 -0.621 1.382 0.267 1.00 0.00 O ATOM 0 H GLU A 47 1.629 3.819 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.986 4.052 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.596 4.980 0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.062 4.825 1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.637 2.556 0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.528 2.897 2.102 1.00 0.00 H new ATOM 735 N ARG A 48 0.389 7.025 -1.018 1.00 0.00 N ATOM 736 CA ARG A 48 0.044 8.445 -1.236 1.00 0.00 C ATOM 737 C ARG A 48 -1.113 8.577 -2.257 1.00 0.00 C ATOM 738 O ARG A 48 -2.124 9.217 -1.964 1.00 0.00 O ATOM 739 CB ARG A 48 1.268 9.306 -1.678 1.00 0.00 C ATOM 740 CG ARG A 48 2.063 8.797 -2.915 1.00 0.00 C ATOM 741 CD ARG A 48 2.445 9.917 -3.913 1.00 0.00 C ATOM 742 NE ARG A 48 3.164 11.036 -3.274 1.00 0.00 N ATOM 743 CZ ARG A 48 3.625 12.128 -3.916 1.00 0.00 C ATOM 744 NH1 ARG A 48 3.539 12.237 -5.238 1.00 0.00 N ATOM 745 NH2 ARG A 48 4.172 13.111 -3.220 1.00 0.00 N ATOM 0 H ARG A 48 1.359 6.791 -1.228 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.284 8.837 -0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.916 10.316 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.956 9.378 -0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.972 8.302 -2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.467 8.047 -3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.067 9.496 -4.703 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.541 10.297 -4.388 1.00 0.00 H new ATOM 0 HE ARG A 48 3.325 10.979 -2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.118 11.486 -5.785 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.894 13.072 -5.705 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.243 13.039 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.523 13.941 -3.698 1.00 0.00 H new ATOM 759 N ASP A 49 -0.968 7.892 -3.414 1.00 0.00 N ATOM 760 CA ASP A 49 -1.955 7.930 -4.515 1.00 0.00 C ATOM 761 C ASP A 49 -3.296 7.332 -4.066 1.00 0.00 C ATOM 762 O ASP A 49 -4.347 7.848 -4.433 1.00 0.00 O ATOM 763 CB ASP A 49 -1.423 7.178 -5.765 1.00 0.00 C ATOM 764 CG ASP A 49 -2.438 7.141 -6.934 1.00 0.00 C ATOM 765 OD1 ASP A 49 -2.712 8.210 -7.519 1.00 0.00 O ATOM 766 OD2 ASP A 49 -2.954 6.049 -7.270 1.00 0.00 O ATOM 0 H ASP A 49 -0.163 7.297 -3.610 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.114 8.974 -4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.505 7.657 -6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.165 6.157 -5.484 1.00 0.00 H new ATOM 771 N GLU A 50 -3.231 6.268 -3.242 1.00 0.00 N ATOM 772 CA GLU A 50 -4.420 5.582 -2.708 1.00 0.00 C ATOM 773 C GLU A 50 -5.310 6.555 -1.938 1.00 0.00 C ATOM 774 O GLU A 50 -6.497 6.649 -2.200 1.00 0.00 O ATOM 775 CB GLU A 50 -4.012 4.418 -1.767 1.00 0.00 C ATOM 776 CG GLU A 50 -3.164 3.313 -2.410 1.00 0.00 C ATOM 777 CD GLU A 50 -3.850 2.627 -3.595 1.00 0.00 C ATOM 778 OE1 GLU A 50 -3.709 3.101 -4.742 1.00 0.00 O ATOM 779 OE2 GLU A 50 -4.541 1.607 -3.392 1.00 0.00 O ATOM 0 H GLU A 50 -2.350 5.861 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.973 5.182 -3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.458 4.832 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.918 3.967 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.219 3.740 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.925 2.564 -1.655 1.00 0.00 H new ATOM 786 N ARG A 51 -4.687 7.307 -1.023 1.00 0.00 N ATOM 787 CA ARG A 51 -5.390 8.224 -0.112 1.00 0.00 C ATOM 788 C ARG A 51 -5.936 9.452 -0.882 1.00 0.00 C ATOM 789 O ARG A 51 -6.987 9.981 -0.526 1.00 0.00 O ATOM 790 CB ARG A 51 -4.435 8.653 1.028 1.00 0.00 C ATOM 791 CG ARG A 51 -3.741 7.480 1.755 1.00 0.00 C ATOM 792 CD ARG A 51 -2.732 7.933 2.826 1.00 0.00 C ATOM 793 NE ARG A 51 -3.405 8.390 4.052 1.00 0.00 N ATOM 794 CZ ARG A 51 -3.184 9.540 4.694 1.00 0.00 C ATOM 795 NH1 ARG A 51 -2.380 10.471 4.189 1.00 0.00 N ATOM 796 NH2 ARG A 51 -3.806 9.772 5.838 1.00 0.00 N ATOM 0 H ARG A 51 -3.676 7.298 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.245 7.709 0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.671 9.312 0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.998 9.234 1.758 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.500 6.853 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.226 6.861 1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.061 7.108 3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.116 8.739 2.427 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.109 7.768 4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.917 10.314 3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.226 11.342 4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.446 9.076 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.645 10.647 6.338 1.00 0.00 H new ATOM 810 N LEU A 52 -5.217 9.869 -1.950 1.00 0.00 N ATOM 811 CA LEU A 52 -5.632 10.994 -2.819 1.00 0.00 C ATOM 812 C LEU A 52 -6.894 10.615 -3.625 1.00 0.00 C ATOM 813 O LEU A 52 -7.902 11.325 -3.578 1.00 0.00 O ATOM 814 CB LEU A 52 -4.465 11.401 -3.769 1.00 0.00 C ATOM 815 CG LEU A 52 -3.173 11.947 -3.081 1.00 0.00 C ATOM 816 CD1 LEU A 52 -2.032 12.155 -4.103 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.470 13.232 -2.287 1.00 0.00 C ATOM 0 H LEU A 52 -4.337 9.437 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.876 11.851 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.193 10.532 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.833 12.161 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.831 11.195 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.149 12.535 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.793 11.205 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.348 12.872 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.553 13.590 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.855 13.996 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.212 13.021 -1.517 1.00 0.00 H new ATOM 829 N ARG A 53 -6.840 9.451 -4.310 1.00 0.00 N ATOM 830 CA ARG A 53 -7.930 8.979 -5.199 1.00 0.00 C ATOM 831 C ARG A 53 -9.125 8.438 -4.385 1.00 0.00 C ATOM 832 O ARG A 53 -10.249 8.368 -4.892 1.00 0.00 O ATOM 833 CB ARG A 53 -7.406 7.896 -6.186 1.00 0.00 C ATOM 834 CG ARG A 53 -7.025 6.545 -5.540 1.00 0.00 C ATOM 835 CD ARG A 53 -6.500 5.521 -6.550 1.00 0.00 C ATOM 836 NE ARG A 53 -6.232 4.213 -5.918 1.00 0.00 N ATOM 837 CZ ARG A 53 -6.821 3.048 -6.249 1.00 0.00 C ATOM 838 NH1 ARG A 53 -7.786 2.995 -7.166 1.00 0.00 N ATOM 839 NH2 ARG A 53 -6.434 1.928 -5.648 1.00 0.00 N ATOM 0 H ARG A 53 -6.045 8.814 -4.264 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.279 9.834 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.170 7.716 -6.942 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.532 8.292 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.265 6.716 -4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.898 6.132 -5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.228 5.395 -7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.585 5.898 -7.007 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.542 4.190 -5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.093 3.848 -7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.218 2.101 -7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.697 1.956 -4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.874 1.040 -5.891 1.00 0.00 H new ATOM 853 N ALA A 54 -8.862 8.036 -3.128 1.00 0.00 N ATOM 854 CA ALA A 54 -9.908 7.577 -2.193 1.00 0.00 C ATOM 855 C ALA A 54 -10.631 8.769 -1.558 1.00 0.00 C ATOM 856 O ALA A 54 -11.787 8.646 -1.170 1.00 0.00 O ATOM 857 CB ALA A 54 -9.322 6.669 -1.105 1.00 0.00 C ATOM 0 H ALA A 54 -7.922 8.020 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.631 6.996 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.117 6.348 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.863 5.795 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.568 7.218 -0.540 1.00 0.00 H new ATOM 863 N CYS A 55 -9.928 9.917 -1.457 1.00 0.00 N ATOM 864 CA CYS A 55 -10.506 11.189 -0.980 1.00 0.00 C ATOM 865 C CYS A 55 -10.802 12.113 -2.185 1.00 0.00 C ATOM 866 O CYS A 55 -10.693 13.334 -2.094 1.00 0.00 O ATOM 867 CB CYS A 55 -9.535 11.851 0.024 1.00 0.00 C ATOM 868 SG CYS A 55 -9.135 10.807 1.445 1.00 0.00 S ATOM 0 H CYS A 55 -8.941 9.987 -1.705 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.449 11.002 -0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.613 12.112 -0.495 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.975 12.782 0.381 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.482 11.505 2.326 1.00 0.00 H new ATOM 874 N ASP A 56 -11.182 11.497 -3.322 1.00 0.00 N ATOM 875 CA ASP A 56 -11.602 12.210 -4.549 1.00 0.00 C ATOM 876 C ASP A 56 -13.132 12.445 -4.533 1.00 0.00 C ATOM 877 O ASP A 56 -13.637 13.367 -5.202 1.00 0.00 O ATOM 878 CB ASP A 56 -11.174 11.384 -5.793 1.00 0.00 C ATOM 879 CG ASP A 56 -11.586 12.002 -7.146 1.00 0.00 C ATOM 880 OD1 ASP A 56 -10.836 12.845 -7.684 1.00 0.00 O ATOM 881 OD2 ASP A 56 -12.659 11.632 -7.681 1.00 0.00 O ATOM 0 H ASP A 56 -11.207 10.482 -3.417 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.117 13.185 -4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.091 11.264 -5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.607 10.386 -5.717 1.00 0.00 H new ATOM 886 N TRP A 57 -13.851 11.615 -3.745 1.00 0.00 N ATOM 887 CA TRP A 57 -15.325 11.692 -3.585 1.00 0.00 C ATOM 888 C TRP A 57 -15.774 13.098 -3.131 1.00 0.00 C ATOM 889 O TRP A 57 -16.823 13.577 -3.531 1.00 0.00 O ATOM 890 CB TRP A 57 -15.830 10.620 -2.569 1.00 0.00 C ATOM 891 CG TRP A 57 -15.343 10.846 -1.148 1.00 0.00 C ATOM 892 CD1 TRP A 57 -14.144 10.474 -0.634 1.00 0.00 C ATOM 893 CD2 TRP A 57 -16.022 11.550 -0.091 1.00 0.00 C ATOM 894 NE1 TRP A 57 -14.026 10.898 0.661 1.00 0.00 N ATOM 895 CE2 TRP A 57 -15.163 11.552 1.021 1.00 0.00 C ATOM 896 CE3 TRP A 57 -17.272 12.167 0.026 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -15.502 12.146 2.226 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.603 12.767 1.221 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.720 12.752 2.307 1.00 0.00 C ATOM 0 H TRP A 57 -13.425 10.867 -3.198 1.00 0.00 H new ATOM 0 HA TRP A 57 -15.766 11.492 -4.561 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.920 10.614 -2.573 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -15.504 9.635 -2.903 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.388 9.921 -1.172 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.215 10.748 1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.963 12.173 -0.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.827 12.129 3.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.560 13.257 1.322 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -17.011 13.232 3.230 1.00 0.00 H new ATOM 910 N THR A 58 -14.944 13.719 -2.285 1.00 0.00 N ATOM 911 CA THR A 58 -15.212 15.036 -1.684 1.00 0.00 C ATOM 912 C THR A 58 -14.813 16.185 -2.630 1.00 0.00 C ATOM 913 O THR A 58 -15.349 17.299 -2.536 1.00 0.00 O ATOM 914 CB THR A 58 -14.471 15.160 -0.309 1.00 0.00 C ATOM 915 OG1 THR A 58 -14.577 16.491 0.211 1.00 0.00 O ATOM 916 CG2 THR A 58 -12.991 14.753 -0.395 1.00 0.00 C ATOM 0 H THR A 58 -14.053 13.317 -1.993 1.00 0.00 H new ATOM 0 HA THR A 58 -16.286 15.118 -1.514 1.00 0.00 H new ATOM 0 HB THR A 58 -14.965 14.465 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.293 16.499 1.149 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.527 14.858 0.586 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.917 13.716 -0.722 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.478 15.396 -1.110 1.00 0.00 H new ATOM 924 N GLN A 59 -13.890 15.895 -3.551 1.00 0.00 N ATOM 925 CA GLN A 59 -13.296 16.900 -4.449 1.00 0.00 C ATOM 926 C GLN A 59 -14.143 17.103 -5.720 1.00 0.00 C ATOM 927 O GLN A 59 -14.060 18.155 -6.362 1.00 0.00 O ATOM 928 CB GLN A 59 -11.855 16.463 -4.806 1.00 0.00 C ATOM 929 CG GLN A 59 -10.940 16.226 -3.586 1.00 0.00 C ATOM 930 CD GLN A 59 -10.741 17.472 -2.716 1.00 0.00 C ATOM 931 OE1 GLN A 59 -9.827 18.250 -2.950 1.00 0.00 O ATOM 932 NE2 GLN A 59 -11.593 17.666 -1.711 1.00 0.00 N ATOM 0 H GLN A 59 -13.529 14.952 -3.699 1.00 0.00 H new ATOM 0 HA GLN A 59 -13.271 17.861 -3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.901 15.546 -5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.404 17.226 -5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.364 15.430 -2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.968 15.877 -3.934 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.345 16.997 -1.543 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.494 18.483 -1.109 1.00 0.00 H new ATOM 941 N VAL A 60 -14.957 16.091 -6.074 1.00 0.00 N ATOM 942 CA VAL A 60 -15.844 16.147 -7.252 1.00 0.00 C ATOM 943 C VAL A 60 -17.034 17.109 -6.994 1.00 0.00 C ATOM 944 O VAL A 60 -17.430 17.332 -5.836 1.00 0.00 O ATOM 945 CB VAL A 60 -16.355 14.702 -7.629 1.00 0.00 C ATOM 946 CG1 VAL A 60 -17.369 14.158 -6.592 1.00 0.00 C ATOM 947 CG2 VAL A 60 -16.932 14.647 -9.066 1.00 0.00 C ATOM 0 H VAL A 60 -15.019 15.215 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 60 -15.274 16.535 -8.096 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.484 14.047 -7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -17.695 13.161 -6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.895 14.107 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -18.232 14.822 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -17.272 13.634 -9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.772 15.337 -9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -16.159 14.931 -9.780 1.00 0.00 H new ATOM 957 N GLN A 61 -17.590 17.682 -8.080 1.00 0.00 N ATOM 958 CA GLN A 61 -18.743 18.608 -8.022 1.00 0.00 C ATOM 959 C GLN A 61 -20.047 17.869 -7.646 1.00 0.00 C ATOM 960 O GLN A 61 -21.034 18.500 -7.245 1.00 0.00 O ATOM 961 CB GLN A 61 -18.918 19.362 -9.383 1.00 0.00 C ATOM 962 CG GLN A 61 -19.615 18.572 -10.525 1.00 0.00 C ATOM 963 CD GLN A 61 -18.872 17.320 -10.992 1.00 0.00 C ATOM 964 OE1 GLN A 61 -17.640 17.284 -11.007 1.00 0.00 O ATOM 965 NE2 GLN A 61 -19.616 16.273 -11.334 1.00 0.00 N ATOM 0 H GLN A 61 -17.251 17.516 -9.028 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.536 19.339 -7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -19.489 20.272 -9.199 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -17.932 19.670 -9.732 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.611 18.281 -10.190 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -19.747 19.237 -11.378 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -20.633 16.340 -11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -19.169 15.402 -11.621 1.00 0.00 H new ATOM 974 N ASP A 62 -20.032 16.528 -7.809 1.00 0.00 N ATOM 975 CA ASP A 62 -21.197 15.654 -7.576 1.00 0.00 C ATOM 976 C ASP A 62 -21.651 15.666 -6.100 1.00 0.00 C ATOM 977 O ASP A 62 -22.848 15.798 -5.817 1.00 0.00 O ATOM 978 CB ASP A 62 -20.863 14.206 -8.021 1.00 0.00 C ATOM 979 CG ASP A 62 -22.022 13.217 -7.787 1.00 0.00 C ATOM 980 OD1 ASP A 62 -22.982 13.209 -8.585 1.00 0.00 O ATOM 981 OD2 ASP A 62 -21.998 12.467 -6.789 1.00 0.00 O ATOM 0 H ASP A 62 -19.201 16.019 -8.109 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.024 16.042 -8.170 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -20.604 14.209 -9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -19.983 13.860 -7.479 1.00 0.00 H new ATOM 986 N VAL A 63 -20.684 15.529 -5.178 1.00 0.00 N ATOM 987 CA VAL A 63 -20.959 15.405 -3.732 1.00 0.00 C ATOM 988 C VAL A 63 -21.512 16.729 -3.161 1.00 0.00 C ATOM 989 O VAL A 63 -21.108 17.818 -3.584 1.00 0.00 O ATOM 990 CB VAL A 63 -19.672 14.954 -2.942 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.598 16.069 -2.910 1.00 0.00 C ATOM 992 CG2 VAL A 63 -20.024 14.468 -1.516 1.00 0.00 C ATOM 0 H VAL A 63 -19.691 15.501 -5.410 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.718 14.633 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.244 14.109 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.727 15.719 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.304 16.320 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.007 16.954 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -19.113 14.165 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.502 15.277 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.705 13.619 -1.579 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.453 16.612 -2.218 1.00 0.00 N ATOM 1003 CA VAL A 64 -23.081 17.759 -1.552 1.00 0.00 C ATOM 1004 C VAL A 64 -22.440 17.925 -0.168 1.00 0.00 C ATOM 1005 O VAL A 64 -22.791 17.216 0.775 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.644 17.575 -1.417 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -25.310 18.864 -0.854 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -25.272 17.145 -2.770 1.00 0.00 C ATOM 0 H VAL A 64 -22.803 15.711 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.918 18.652 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.832 16.774 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -26.386 18.711 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.898 19.086 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.113 19.699 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.349 17.025 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -25.074 17.909 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.835 16.199 -3.090 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.463 18.840 -0.072 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.743 19.141 1.187 1.00 0.00 C ATOM 1020 C LEU A 65 -20.650 20.658 1.378 1.00 0.00 C ATOM 1021 O LEU A 65 -20.838 21.425 0.423 1.00 0.00 O ATOM 1022 CB LEU A 65 -19.313 18.520 1.192 1.00 0.00 C ATOM 1023 CG LEU A 65 -19.221 16.962 1.208 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.760 16.488 1.094 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -19.904 16.375 2.461 1.00 0.00 C ATOM 0 H LEU A 65 -21.145 19.397 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 65 -21.304 18.698 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.783 18.882 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.781 18.900 2.064 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.757 16.590 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.729 15.399 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.331 16.851 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -17.184 16.878 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.824 15.288 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.416 16.761 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.956 16.661 2.470 1.00 0.00 H new ATOM 1037 N THR A 66 -20.339 21.082 2.615 1.00 0.00 N ATOM 1038 CA THR A 66 -20.114 22.497 2.942 1.00 0.00 C ATOM 1039 C THR A 66 -18.688 22.901 2.528 1.00 0.00 C ATOM 1040 O THR A 66 -17.845 22.026 2.264 1.00 0.00 O ATOM 1041 CB THR A 66 -20.323 22.755 4.471 1.00 0.00 C ATOM 1042 OG1 THR A 66 -19.374 21.981 5.223 1.00 0.00 O ATOM 1043 CG2 THR A 66 -21.752 22.396 4.938 1.00 0.00 C ATOM 0 H THR A 66 -20.237 20.454 3.413 1.00 0.00 H new ATOM 0 HA THR A 66 -20.837 23.101 2.394 1.00 0.00 H new ATOM 0 HB THR A 66 -20.174 23.821 4.644 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.504 22.144 6.180 1.00 0.00 H new ATOM 0 HG21 THR A 66 -21.846 22.593 6.006 1.00 0.00 H new ATOM 0 HG22 THR A 66 -22.476 23.001 4.392 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.943 21.340 4.745 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.428 24.217 2.462 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.085 24.745 2.168 1.00 0.00 C ATOM 1053 C ALA A 67 -16.084 24.280 3.240 1.00 0.00 C ATOM 1054 O ALA A 67 -14.971 23.886 2.914 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.111 26.275 2.066 1.00 0.00 C ATOM 0 H ALA A 67 -19.134 24.938 2.609 1.00 0.00 H new ATOM 0 HA ALA A 67 -16.762 24.353 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.108 26.642 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -17.789 26.575 1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.455 26.697 3.010 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.523 24.323 4.520 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.758 23.800 5.675 1.00 0.00 C ATOM 1063 C ASP A 68 -15.240 22.366 5.429 1.00 0.00 C ATOM 1064 O ASP A 68 -14.058 22.093 5.624 1.00 0.00 O ATOM 1065 CB ASP A 68 -16.628 23.814 6.955 1.00 0.00 C ATOM 1066 CG ASP A 68 -16.917 25.223 7.491 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -16.123 25.734 8.316 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -17.929 25.834 7.088 1.00 0.00 O ATOM 0 H ASP A 68 -17.424 24.724 4.781 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.897 24.456 5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.574 23.314 6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.126 23.236 7.731 1.00 0.00 H new ATOM 1073 N GLN A 69 -16.146 21.476 4.985 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.822 20.050 4.734 1.00 0.00 C ATOM 1075 C GLN A 69 -14.897 19.903 3.514 1.00 0.00 C ATOM 1076 O GLN A 69 -13.821 19.324 3.616 1.00 0.00 O ATOM 1077 CB GLN A 69 -17.115 19.211 4.554 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.945 19.082 5.839 1.00 0.00 C ATOM 1079 CD GLN A 69 -19.236 18.296 5.641 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -19.259 17.078 5.773 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -20.317 18.994 5.330 1.00 0.00 N ATOM 0 H GLN A 69 -17.118 21.717 4.790 1.00 0.00 H new ATOM 0 HA GLN A 69 -15.292 19.667 5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.730 19.667 3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.846 18.215 4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -17.343 18.594 6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -18.186 20.078 6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -20.258 20.007 5.229 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -21.209 18.519 5.192 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.312 20.498 2.386 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.602 20.411 1.084 1.00 0.00 C ATOM 1092 C LYS A 70 -13.204 21.057 1.109 1.00 0.00 C ATOM 1093 O LYS A 70 -12.320 20.615 0.376 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.476 21.041 -0.048 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.513 20.068 -0.650 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.543 20.760 -1.581 1.00 0.00 C ATOM 1097 CE LYS A 70 -18.318 19.756 -2.455 1.00 0.00 C ATOM 1098 NZ LYS A 70 -17.436 19.109 -3.463 1.00 0.00 N ATOM 0 H LYS A 70 -16.160 21.063 2.343 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.446 19.351 0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.997 21.912 0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.822 21.397 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.990 19.294 -1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.045 19.569 0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.248 21.330 -0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.026 21.472 -2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.767 18.992 -1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.135 20.270 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.019 18.614 -4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.861 19.834 -3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.811 18.426 -2.990 1.00 0.00 H new ATOM 1112 N ALA A 71 -13.008 22.071 1.969 1.00 0.00 N ATOM 1113 CA ALA A 71 -11.751 22.863 2.000 1.00 0.00 C ATOM 1114 C ALA A 71 -10.716 22.138 2.868 1.00 0.00 C ATOM 1115 O ALA A 71 -9.571 21.971 2.475 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.002 24.295 2.514 1.00 0.00 C ATOM 0 H ALA A 71 -13.701 22.367 2.656 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.365 22.952 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.063 24.848 2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.712 24.798 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.409 24.253 3.524 1.00 0.00 H new ATOM 1122 N THR A 72 -11.161 21.776 4.084 1.00 0.00 N ATOM 1123 CA THR A 72 -10.415 20.896 5.016 1.00 0.00 C ATOM 1124 C THR A 72 -9.963 19.573 4.324 1.00 0.00 C ATOM 1125 O THR A 72 -8.833 19.115 4.515 1.00 0.00 O ATOM 1126 CB THR A 72 -11.277 20.591 6.282 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.638 21.829 6.926 1.00 0.00 O ATOM 1128 CG2 THR A 72 -10.558 19.685 7.297 1.00 0.00 C ATOM 0 H THR A 72 -12.058 22.087 4.456 1.00 0.00 H new ATOM 0 HA THR A 72 -9.514 21.426 5.324 1.00 0.00 H new ATOM 0 HB THR A 72 -12.163 20.055 5.941 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.511 22.127 6.596 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.209 19.510 8.154 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.315 18.733 6.826 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.641 20.169 7.631 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.857 18.999 3.493 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.562 17.792 2.688 1.00 0.00 C ATOM 1138 C TRP A 73 -9.560 18.094 1.557 1.00 0.00 C ATOM 1139 O TRP A 73 -8.666 17.288 1.282 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.869 17.184 2.100 1.00 0.00 C ATOM 1141 CG TRP A 73 -12.550 16.159 2.993 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -13.807 16.215 3.543 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -12.004 14.891 3.389 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -14.063 15.073 4.251 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.971 14.252 4.183 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.782 14.246 3.162 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.762 12.995 4.730 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.577 12.999 3.711 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.561 12.388 4.494 1.00 0.00 C ATOM 0 H TRP A 73 -11.803 19.357 3.360 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.105 17.062 3.356 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.571 17.993 1.897 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.638 16.716 1.143 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -14.494 17.041 3.433 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -14.929 14.867 4.749 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -10.014 14.718 2.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.524 12.512 5.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.643 12.486 3.534 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.368 11.415 4.921 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.731 19.257 0.907 1.00 0.00 N ATOM 1161 CA ALA A 74 -8.833 19.716 -0.173 1.00 0.00 C ATOM 1162 C ALA A 74 -7.453 20.074 0.387 1.00 0.00 C ATOM 1163 O ALA A 74 -6.456 19.978 -0.316 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.445 20.918 -0.906 1.00 0.00 C ATOM 0 H ALA A 74 -10.491 19.905 1.112 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.711 18.901 -0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.770 21.243 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.403 20.630 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.597 21.735 -0.201 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.424 20.477 1.666 1.00 0.00 N ATOM 1171 CA LYS A 75 -6.204 20.896 2.371 1.00 0.00 C ATOM 1172 C LYS A 75 -5.390 19.653 2.747 1.00 0.00 C ATOM 1173 O LYS A 75 -4.165 19.649 2.656 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.591 21.707 3.631 1.00 0.00 C ATOM 1175 CG LYS A 75 -5.405 22.283 4.431 1.00 0.00 C ATOM 1176 CD LYS A 75 -5.845 23.010 5.722 1.00 0.00 C ATOM 1177 CE LYS A 75 -6.760 24.219 5.457 1.00 0.00 C ATOM 1178 NZ LYS A 75 -7.226 24.842 6.721 1.00 0.00 N ATOM 0 H LYS A 75 -8.260 20.522 2.248 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.595 21.531 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.239 22.530 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.176 21.066 4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.722 21.474 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.851 22.978 3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.365 22.304 6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.959 23.345 6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.223 24.959 4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.621 23.902 4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.840 25.653 6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.760 24.143 7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.405 25.167 7.271 1.00 0.00 H new ATOM 1192 N TYR A 76 -6.121 18.604 3.171 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.571 17.263 3.431 1.00 0.00 C ATOM 1194 C TYR A 76 -4.911 16.695 2.157 1.00 0.00 C ATOM 1195 O TYR A 76 -3.757 16.250 2.191 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.711 16.323 3.946 1.00 0.00 C ATOM 1197 CG TYR A 76 -6.444 14.816 3.764 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -5.536 14.129 4.574 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -7.089 14.087 2.758 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -5.295 12.782 4.389 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -6.844 12.746 2.576 1.00 0.00 C ATOM 1202 CZ TYR A 76 -5.952 12.096 3.390 1.00 0.00 C ATOM 1203 OH TYR A 76 -5.723 10.752 3.208 1.00 0.00 O ATOM 0 H TYR A 76 -7.124 18.667 3.344 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.801 17.329 4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.875 16.522 5.005 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.635 16.578 3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.015 14.660 5.357 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.794 14.588 2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.592 12.266 5.027 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.354 12.205 1.792 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.531 10.328 2.850 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.678 16.729 1.049 1.00 0.00 N ATOM 1214 CA ARG A 77 -5.257 16.196 -0.261 1.00 0.00 C ATOM 1215 C ARG A 77 -4.007 16.944 -0.761 1.00 0.00 C ATOM 1216 O ARG A 77 -3.011 16.325 -1.150 1.00 0.00 O ATOM 1217 CB ARG A 77 -6.416 16.327 -1.293 1.00 0.00 C ATOM 1218 CG ARG A 77 -6.060 15.844 -2.722 1.00 0.00 C ATOM 1219 CD ARG A 77 -7.229 15.954 -3.711 1.00 0.00 C ATOM 1220 NE ARG A 77 -6.812 15.657 -5.096 1.00 0.00 N ATOM 1221 CZ ARG A 77 -7.077 14.530 -5.774 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -7.774 13.535 -5.224 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -6.651 14.415 -7.023 1.00 0.00 N ATOM 0 H ARG A 77 -6.615 17.131 1.039 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.010 15.140 -0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.273 15.757 -0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.726 17.371 -1.342 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.220 16.429 -3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.730 14.806 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.020 15.265 -3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.648 16.959 -3.666 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.273 16.374 -5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.118 13.621 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.963 12.688 -5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.129 15.177 -7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.845 13.564 -7.552 1.00 0.00 H new ATOM 1237 N GLN A 78 -4.088 18.287 -0.732 1.00 0.00 N ATOM 1238 CA GLN A 78 -3.002 19.183 -1.162 1.00 0.00 C ATOM 1239 C GLN A 78 -1.734 18.990 -0.330 1.00 0.00 C ATOM 1240 O GLN A 78 -0.648 18.947 -0.891 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.468 20.664 -1.104 1.00 0.00 C ATOM 1242 CG GLN A 78 -2.453 21.693 -1.647 1.00 0.00 C ATOM 1243 CD GLN A 78 -1.992 21.446 -3.092 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -0.859 21.759 -3.452 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -2.861 20.884 -3.932 1.00 0.00 N ATOM 0 H GLN A 78 -4.917 18.784 -0.406 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.756 18.926 -2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.395 20.759 -1.669 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.698 20.916 -0.069 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.898 22.686 -1.588 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.578 21.696 -0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.795 20.634 -3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.592 20.704 -4.899 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.894 18.845 0.996 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.759 18.690 1.932 1.00 0.00 C ATOM 1256 C ALA A 79 -0.045 17.351 1.718 1.00 0.00 C ATOM 1257 O ALA A 79 1.181 17.265 1.834 1.00 0.00 O ATOM 1258 CB ALA A 79 -1.225 18.829 3.390 1.00 0.00 C ATOM 0 H ALA A 79 -2.807 18.831 1.451 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.047 19.489 1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.371 18.711 4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.668 19.814 3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.966 18.061 3.610 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.835 16.305 1.429 1.00 0.00 N ATOM 1265 CA LEU A 80 -0.341 14.953 1.124 1.00 0.00 C ATOM 1266 C LEU A 80 0.572 14.969 -0.123 1.00 0.00 C ATOM 1267 O LEU A 80 1.697 14.464 -0.076 1.00 0.00 O ATOM 1268 CB LEU A 80 -1.589 14.031 0.940 1.00 0.00 C ATOM 1269 CG LEU A 80 -1.421 12.498 1.193 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.793 11.800 1.228 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -0.495 11.820 0.164 1.00 0.00 C ATOM 0 H LEU A 80 -1.852 16.376 1.400 1.00 0.00 H new ATOM 0 HA LEU A 80 0.275 14.569 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.372 14.394 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.952 14.162 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.941 12.392 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.654 10.733 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.397 12.225 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.300 11.946 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.416 10.757 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.907 11.948 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.495 12.275 0.210 1.00 0.00 H new ATOM 1283 N ARG A 81 0.076 15.558 -1.228 1.00 0.00 N ATOM 1284 CA ARG A 81 0.847 15.668 -2.489 1.00 0.00 C ATOM 1285 C ARG A 81 1.949 16.740 -2.381 1.00 0.00 C ATOM 1286 O ARG A 81 2.924 16.704 -3.136 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.094 15.886 -3.718 1.00 0.00 C ATOM 1288 CG ARG A 81 -1.029 17.140 -3.703 1.00 0.00 C ATOM 1289 CD ARG A 81 -0.533 18.337 -4.558 1.00 0.00 C ATOM 1290 NE ARG A 81 0.492 19.163 -3.879 1.00 0.00 N ATOM 1291 CZ ARG A 81 1.539 19.763 -4.482 1.00 0.00 C ATOM 1292 NH1 ARG A 81 1.858 19.473 -5.740 1.00 0.00 N ATOM 1293 NH2 ARG A 81 2.280 20.634 -3.805 1.00 0.00 N ATOM 0 H ARG A 81 -0.857 15.967 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 81 1.355 14.718 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.528 15.942 -4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.721 15.001 -3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.016 16.843 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.148 17.474 -2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.122 17.959 -5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.384 18.967 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 81 0.398 19.289 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.308 18.790 -6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.652 19.934 -6.184 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.056 20.847 -2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.072 21.090 -4.258 1.00 0.00 H new ATOM 1307 N ASP A 82 1.761 17.708 -1.444 1.00 0.00 N ATOM 1308 CA ASP A 82 2.761 18.767 -1.140 1.00 0.00 C ATOM 1309 C ASP A 82 4.004 18.144 -0.502 1.00 0.00 C ATOM 1310 O ASP A 82 5.121 18.618 -0.726 1.00 0.00 O ATOM 1311 CB ASP A 82 2.171 19.874 -0.217 1.00 0.00 C ATOM 1312 CG ASP A 82 3.163 21.009 0.103 1.00 0.00 C ATOM 1313 OD1 ASP A 82 3.483 21.800 -0.807 1.00 0.00 O ATOM 1314 OD2 ASP A 82 3.622 21.123 1.266 1.00 0.00 O ATOM 0 H ASP A 82 0.914 17.776 -0.880 1.00 0.00 H new ATOM 0 HA ASP A 82 3.039 19.243 -2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.288 20.299 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 82 1.841 19.418 0.717 1.00 0.00 H new ATOM 1319 N LEU A 83 3.787 17.084 0.296 1.00 0.00 N ATOM 1320 CA LEU A 83 4.861 16.211 0.784 1.00 0.00 C ATOM 1321 C LEU A 83 5.363 15.351 -0.396 1.00 0.00 C ATOM 1322 O LEU A 83 4.615 14.489 -0.871 1.00 0.00 O ATOM 1323 CB LEU A 83 4.343 15.295 1.933 1.00 0.00 C ATOM 1324 CG LEU A 83 5.380 14.259 2.488 1.00 0.00 C ATOM 1325 CD1 LEU A 83 6.574 14.955 3.177 1.00 0.00 C ATOM 1326 CD2 LEU A 83 4.699 13.220 3.404 1.00 0.00 C ATOM 0 H LEU A 83 2.859 16.811 0.619 1.00 0.00 H new ATOM 0 HA LEU A 83 5.676 16.817 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.011 15.927 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.468 14.752 1.575 1.00 0.00 H new ATOM 0 HG LEU A 83 5.789 13.715 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.270 14.202 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.084 15.598 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.213 15.557 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.445 12.516 3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.232 13.729 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.938 12.681 2.840 1.00 0.00 H new ATOM 1453 N GLN A 92 11.039 7.464 5.054 1.00 0.00 N ATOM 1454 CA GLN A 92 9.872 7.469 5.954 1.00 0.00 C ATOM 1455 C GLN A 92 8.757 8.273 5.279 1.00 0.00 C ATOM 1456 O GLN A 92 9.033 9.204 4.508 1.00 0.00 O ATOM 1457 CB GLN A 92 10.208 8.080 7.344 1.00 0.00 C ATOM 1458 CG GLN A 92 11.186 7.240 8.197 1.00 0.00 C ATOM 1459 CD GLN A 92 11.402 7.794 9.611 1.00 0.00 C ATOM 1460 OE1 GLN A 92 11.308 9.002 9.846 1.00 0.00 O ATOM 1461 NE2 GLN A 92 11.698 6.916 10.556 1.00 0.00 N ATOM 0 HA GLN A 92 9.557 6.441 6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.635 9.072 7.197 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.281 8.212 7.902 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.808 6.220 8.270 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.147 7.188 7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.768 5.924 10.327 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.856 7.231 11.513 1.00 0.00 H new ATOM 1470 N ILE A 93 7.501 7.920 5.570 1.00 0.00 N ATOM 1471 CA ILE A 93 6.320 8.481 4.891 1.00 0.00 C ATOM 1472 C ILE A 93 5.261 8.904 5.925 1.00 0.00 C ATOM 1473 O ILE A 93 4.368 8.130 6.282 1.00 0.00 O ATOM 1474 CB ILE A 93 5.738 7.442 3.847 1.00 0.00 C ATOM 1475 CG1 ILE A 93 5.611 6.005 4.469 1.00 0.00 C ATOM 1476 CG2 ILE A 93 6.599 7.418 2.563 1.00 0.00 C ATOM 1477 CD1 ILE A 93 4.920 4.969 3.589 1.00 0.00 C ATOM 0 H ILE A 93 7.270 7.233 6.287 1.00 0.00 H new ATOM 0 HA ILE A 93 6.617 9.372 4.338 1.00 0.00 H new ATOM 0 HB ILE A 93 4.733 7.769 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 93 6.610 5.643 4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 93 5.064 6.082 5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.182 6.698 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.603 8.409 2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.620 7.130 2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.885 4.013 4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.905 5.299 3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.476 4.853 2.658 1.00 0.00 H new ATOM 1489 N VAL A 94 5.384 10.139 6.436 1.00 0.00 N ATOM 1490 CA VAL A 94 4.459 10.678 7.446 1.00 0.00 C ATOM 1491 C VAL A 94 3.659 11.818 6.798 1.00 0.00 C ATOM 1492 O VAL A 94 4.071 12.986 6.814 1.00 0.00 O ATOM 1493 CB VAL A 94 5.218 11.177 8.739 1.00 0.00 C ATOM 1494 CG1 VAL A 94 4.220 11.624 9.843 1.00 0.00 C ATOM 1495 CG2 VAL A 94 6.197 10.095 9.269 1.00 0.00 C ATOM 0 H VAL A 94 6.122 10.788 6.163 1.00 0.00 H new ATOM 0 HA VAL A 94 3.786 9.887 7.777 1.00 0.00 H new ATOM 0 HB VAL A 94 5.809 12.049 8.458 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.774 11.962 10.719 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.603 12.440 9.467 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.582 10.784 10.118 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.704 10.468 10.159 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.640 9.192 9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.935 9.864 8.501 1.00 0.00 H new ATOM 1505 N TRP A 95 2.552 11.441 6.161 1.00 0.00 N ATOM 1506 CA TRP A 95 1.641 12.359 5.440 1.00 0.00 C ATOM 1507 C TRP A 95 0.414 12.692 6.323 1.00 0.00 C ATOM 1508 O TRP A 95 0.155 11.958 7.288 1.00 0.00 O ATOM 1509 CB TRP A 95 1.225 11.743 4.056 1.00 0.00 C ATOM 1510 CG TRP A 95 1.172 10.232 3.979 1.00 0.00 C ATOM 1511 CD1 TRP A 95 0.464 9.366 4.766 1.00 0.00 C ATOM 1512 CD2 TRP A 95 1.876 9.424 3.039 1.00 0.00 C ATOM 1513 NE1 TRP A 95 0.685 8.079 4.358 1.00 0.00 N ATOM 1514 CE2 TRP A 95 1.550 8.091 3.304 1.00 0.00 C ATOM 1515 CE3 TRP A 95 2.749 9.717 1.988 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 2.073 7.044 2.561 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 3.263 8.677 1.252 1.00 0.00 C ATOM 1518 CH2 TRP A 95 2.925 7.352 1.539 1.00 0.00 C ATOM 0 H TRP A 95 2.247 10.468 6.125 1.00 0.00 H new ATOM 0 HA TRP A 95 2.160 13.295 5.233 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.242 12.133 3.790 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.925 12.099 3.300 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.175 9.655 5.588 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.270 7.246 4.775 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.014 10.739 1.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 1.815 6.019 2.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.940 8.887 0.437 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.345 6.557 0.942 1.00 0.00 H new ATOM 1529 N PRO A 96 -0.343 13.814 6.027 1.00 0.00 N ATOM 1530 CA PRO A 96 -1.506 14.261 6.846 1.00 0.00 C ATOM 1531 C PRO A 96 -2.532 13.150 7.113 1.00 0.00 C ATOM 1532 O PRO A 96 -2.852 12.372 6.219 1.00 0.00 O ATOM 1533 CB PRO A 96 -2.147 15.412 5.995 1.00 0.00 C ATOM 1534 CG PRO A 96 -1.523 15.287 4.643 1.00 0.00 C ATOM 1535 CD PRO A 96 -0.131 14.763 4.895 1.00 0.00 C ATOM 0 HA PRO A 96 -1.185 14.574 7.839 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.231 15.306 5.941 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.944 16.388 6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.091 14.606 4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.495 16.249 4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.279 14.263 4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.562 15.562 5.160 1.00 0.00 H new ATOM 1543 N GLN A 97 -3.004 13.075 8.359 1.00 0.00 N ATOM 1544 CA GLN A 97 -4.116 12.195 8.742 1.00 0.00 C ATOM 1545 C GLN A 97 -5.425 12.912 8.404 1.00 0.00 C ATOM 1546 O GLN A 97 -5.547 14.116 8.666 1.00 0.00 O ATOM 1547 CB GLN A 97 -4.042 11.836 10.248 1.00 0.00 C ATOM 1548 CG GLN A 97 -5.250 11.034 10.779 1.00 0.00 C ATOM 1549 CD GLN A 97 -5.018 10.430 12.159 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -5.301 11.049 13.185 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -4.487 9.212 12.185 1.00 0.00 N ATOM 0 H GLN A 97 -2.628 13.622 9.133 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.059 11.256 8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.134 11.260 10.426 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.953 12.757 10.824 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.121 11.688 10.819 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.483 10.235 10.076 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.267 8.733 11.312 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.300 8.756 13.078 1.00 0.00 H new ATOM 1560 N LEU A 98 -6.396 12.186 7.826 1.00 0.00 N ATOM 1561 CA LEU A 98 -7.638 12.794 7.328 1.00 0.00 C ATOM 1562 C LEU A 98 -8.525 13.278 8.505 1.00 0.00 C ATOM 1563 O LEU A 98 -8.507 12.657 9.576 1.00 0.00 O ATOM 1564 CB LEU A 98 -8.351 11.816 6.339 1.00 0.00 C ATOM 1565 CG LEU A 98 -8.654 10.355 6.824 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -9.908 10.262 7.714 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -8.766 9.389 5.627 1.00 0.00 C ATOM 0 H LEU A 98 -6.343 11.176 7.693 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.412 13.693 6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.297 12.271 6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.738 11.747 5.440 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.808 10.057 7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.063 9.226 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.772 10.882 8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.777 10.611 7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.976 8.383 5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.574 9.714 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.827 9.386 5.073 1.00 0.00 H new ATOM 1579 N PRO A 99 -9.296 14.403 8.317 1.00 0.00 N ATOM 1580 CA PRO A 99 -9.994 15.116 9.430 1.00 0.00 C ATOM 1581 C PRO A 99 -11.033 14.254 10.197 1.00 0.00 C ATOM 1582 O PRO A 99 -11.296 14.507 11.377 1.00 0.00 O ATOM 1583 CB PRO A 99 -10.672 16.318 8.709 1.00 0.00 C ATOM 1584 CG PRO A 99 -10.797 15.876 7.279 1.00 0.00 C ATOM 1585 CD PRO A 99 -9.552 15.072 7.006 1.00 0.00 C ATOM 0 HA PRO A 99 -9.293 15.402 10.214 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -11.647 16.542 9.142 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.070 17.223 8.794 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -11.695 15.276 7.129 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.869 16.731 6.607 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.705 14.348 6.206 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.718 15.707 6.706 1.00 0.00 H new ATOM 1593 N VAL A 100 -11.617 13.251 9.516 1.00 0.00 N ATOM 1594 CA VAL A 100 -12.659 12.377 10.102 1.00 0.00 C ATOM 1595 C VAL A 100 -12.016 11.367 11.098 1.00 0.00 C ATOM 1596 O VAL A 100 -11.388 10.387 10.653 1.00 0.00 O ATOM 1597 CB VAL A 100 -13.486 11.635 8.977 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -14.627 10.768 9.577 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -14.040 12.651 7.951 1.00 0.00 C ATOM 1600 OXT VAL A 100 -12.113 11.582 12.319 1.00 0.00 O ATOM 0 H VAL A 100 -11.384 13.022 8.550 1.00 0.00 H new ATOM 0 HA VAL A 100 -13.361 13.001 10.655 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.807 10.958 8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -15.171 10.275 8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -14.202 10.016 10.241 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.310 11.404 10.140 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.606 12.122 7.184 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -14.692 13.362 8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -13.212 13.186 7.486 1.00 0.00 H new