USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 838 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 32 THR OG1 : rot 130:sc= 0.321 USER MOD Set 1.2: A 34 HIS : no HD1:sc= -0.518 K(o=-0.2,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0944 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -6:sc= 0.998 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.918 K(o=-0.92,f=-3.7!) USER MOD Single : A 15 GLN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.189 K(o=-0.19,f=-0.96) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 170:sc= -0.952 USER MOD Single : A 38 GLN : amide:sc= -0.0361 K(o=-0.036,f=-0.66) USER MOD Single : A 50 GLN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 56 THR OG1 : rot -111:sc= 0.0291 USER MOD Single : A 57 THR OG1 : rot -24:sc= 0.222 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.944! USER MOD Single : A 62 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0546 USER MOD Single : A 74 SER OG : rot 54:sc= 0.0538 USER MOD Single : A 78 MET CE :methyl -112:sc= -9.51! (180deg=-13.7!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -113:sc= -1.09 (180deg=-3.78!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 145:sc= 0.145 USER MOD Single : A 85 TYR OH : rot -56:sc= 0.888 USER MOD Single : A 86 TYR OH : rot 17:sc= -3.75! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 166:sc= 0 (180deg=-0.132) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.98) USER MOD Single : A 95 ASN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= -2.18! C(o=-2.2!,f=-1.8!) USER MOD Single : A 108 SER OG : rot 42:sc= 0.608 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.958 38.368 -19.057 1.00 0.00 N ATOM 2 CA GLY A 1 -13.074 36.926 -19.195 1.00 0.00 C ATOM 3 C GLY A 1 -14.011 36.347 -18.134 1.00 0.00 C ATOM 4 O GLY A 1 -14.816 37.071 -17.549 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.119 38.819 -19.980 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.666 38.710 -18.377 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.006 38.609 -18.715 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.449 36.681 -20.189 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.089 36.468 -19.104 1.00 0.00 H new ATOM 8 N SER A 2 -13.876 35.047 -17.916 1.00 0.00 N ATOM 9 CA SER A 2 -14.701 34.363 -16.935 1.00 0.00 C ATOM 10 C SER A 2 -14.304 32.888 -16.855 1.00 0.00 C ATOM 11 O SER A 2 -13.930 32.399 -15.790 1.00 0.00 O ATOM 12 CB SER A 2 -16.187 34.494 -17.277 1.00 0.00 C ATOM 13 OG SER A 2 -17.021 34.136 -16.179 1.00 0.00 O ATOM 0 H SER A 2 -13.207 34.449 -18.402 1.00 0.00 H new ATOM 0 HA SER A 2 -14.536 34.831 -15.964 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.401 35.520 -17.575 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.420 33.858 -18.131 1.00 0.00 H new ATOM 0 HG SER A 2 -17.961 34.235 -16.437 1.00 0.00 H new ATOM 19 N SER A 3 -14.397 32.219 -17.995 1.00 0.00 N ATOM 20 CA SER A 3 -14.052 30.810 -18.067 1.00 0.00 C ATOM 21 C SER A 3 -12.968 30.590 -19.124 1.00 0.00 C ATOM 22 O SER A 3 -13.152 30.938 -20.289 1.00 0.00 O ATOM 23 CB SER A 3 -15.282 29.957 -18.383 1.00 0.00 C ATOM 24 OG SER A 3 -14.944 28.588 -18.588 1.00 0.00 O ATOM 0 H SER A 3 -14.707 32.628 -18.877 1.00 0.00 H new ATOM 0 HA SER A 3 -13.670 30.502 -17.094 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.997 30.035 -17.564 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.774 30.346 -19.274 1.00 0.00 H new ATOM 0 HG SER A 3 -15.756 28.077 -18.785 1.00 0.00 H new ATOM 30 N GLY A 4 -11.861 30.013 -18.679 1.00 0.00 N ATOM 31 CA GLY A 4 -10.747 29.743 -19.573 1.00 0.00 C ATOM 32 C GLY A 4 -10.764 28.288 -20.045 1.00 0.00 C ATOM 33 O GLY A 4 -11.706 27.550 -19.760 1.00 0.00 O ATOM 0 H GLY A 4 -11.712 29.725 -17.712 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.797 30.409 -20.434 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.807 29.953 -19.062 1.00 0.00 H new ATOM 37 N SER A 5 -9.711 27.919 -20.760 1.00 0.00 N ATOM 38 CA SER A 5 -9.593 26.565 -21.275 1.00 0.00 C ATOM 39 C SER A 5 -8.566 25.781 -20.455 1.00 0.00 C ATOM 40 O SER A 5 -7.564 26.340 -20.012 1.00 0.00 O ATOM 41 CB SER A 5 -9.200 26.571 -22.753 1.00 0.00 C ATOM 42 OG SER A 5 -10.026 25.707 -23.529 1.00 0.00 O ATOM 0 H SER A 5 -8.932 28.534 -20.995 1.00 0.00 H new ATOM 0 HA SER A 5 -10.565 26.079 -21.188 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.271 27.586 -23.143 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.159 26.263 -22.853 1.00 0.00 H new ATOM 0 HG SER A 5 -9.744 25.740 -24.467 1.00 0.00 H new ATOM 48 N SER A 6 -8.852 24.500 -20.278 1.00 0.00 N ATOM 49 CA SER A 6 -7.965 23.633 -19.520 1.00 0.00 C ATOM 50 C SER A 6 -8.237 22.169 -19.872 1.00 0.00 C ATOM 51 O SER A 6 -9.371 21.800 -20.172 1.00 0.00 O ATOM 52 CB SER A 6 -8.131 23.857 -18.015 1.00 0.00 C ATOM 53 OG SER A 6 -7.686 25.151 -17.616 1.00 0.00 O ATOM 0 H SER A 6 -9.685 24.041 -20.646 1.00 0.00 H new ATOM 0 HA SER A 6 -6.937 23.878 -19.786 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.180 23.734 -17.744 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.570 23.097 -17.471 1.00 0.00 H new ATOM 0 HG SER A 6 -7.274 25.605 -18.380 1.00 0.00 H new ATOM 59 N GLY A 7 -7.177 21.376 -19.822 1.00 0.00 N ATOM 60 CA GLY A 7 -7.288 19.960 -20.132 1.00 0.00 C ATOM 61 C GLY A 7 -6.206 19.155 -19.409 1.00 0.00 C ATOM 62 O GLY A 7 -5.314 18.596 -20.044 1.00 0.00 O ATOM 0 H GLY A 7 -6.238 21.686 -19.572 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.273 19.596 -19.840 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.199 19.811 -21.208 1.00 0.00 H new ATOM 66 N PRO A 8 -6.325 19.120 -18.055 1.00 0.00 N ATOM 67 CA PRO A 8 -5.369 18.393 -17.238 1.00 0.00 C ATOM 68 C PRO A 8 -5.603 16.884 -17.332 1.00 0.00 C ATOM 69 O PRO A 8 -6.309 16.309 -16.504 1.00 0.00 O ATOM 70 CB PRO A 8 -5.558 18.937 -15.831 1.00 0.00 C ATOM 71 CG PRO A 8 -6.922 19.608 -15.824 1.00 0.00 C ATOM 72 CD PRO A 8 -7.369 19.770 -17.268 1.00 0.00 C ATOM 0 HA PRO A 8 -4.340 18.534 -17.570 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.513 18.136 -15.093 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.772 19.648 -15.578 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.640 19.007 -15.267 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.868 20.578 -15.330 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.340 19.304 -17.437 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.470 20.822 -17.536 1.00 0.00 H new ATOM 80 N PHE A 9 -4.999 16.285 -18.347 1.00 0.00 N ATOM 81 CA PHE A 9 -5.133 14.854 -18.560 1.00 0.00 C ATOM 82 C PHE A 9 -3.783 14.221 -18.902 1.00 0.00 C ATOM 83 O PHE A 9 -3.420 14.121 -20.073 1.00 0.00 O ATOM 84 CB PHE A 9 -6.086 14.665 -19.742 1.00 0.00 C ATOM 85 CG PHE A 9 -7.481 14.179 -19.345 1.00 0.00 C ATOM 86 CD1 PHE A 9 -7.622 13.225 -18.386 1.00 0.00 C ATOM 87 CD2 PHE A 9 -8.582 14.701 -19.951 1.00 0.00 C ATOM 88 CE1 PHE A 9 -8.917 12.774 -18.017 1.00 0.00 C ATOM 89 CE2 PHE A 9 -9.877 14.250 -19.582 1.00 0.00 C ATOM 90 CZ PHE A 9 -10.017 13.296 -18.623 1.00 0.00 C ATOM 0 H PHE A 9 -4.415 16.765 -19.032 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.508 14.377 -17.655 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.180 15.611 -20.275 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.648 13.950 -20.438 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.749 12.810 -17.905 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.471 15.458 -20.713 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.028 12.017 -17.255 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.751 14.665 -20.063 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.002 12.953 -18.343 1.00 0.00 H new ATOM 100 N CYS A 10 -3.076 13.811 -17.860 1.00 0.00 N ATOM 101 CA CYS A 10 -1.774 13.191 -18.035 1.00 0.00 C ATOM 102 C CYS A 10 -1.919 11.689 -17.785 1.00 0.00 C ATOM 103 O CYS A 10 -1.810 10.888 -18.712 1.00 0.00 O ATOM 104 CB CYS A 10 -0.719 13.822 -17.124 1.00 0.00 C ATOM 105 SG CYS A 10 0.249 15.066 -18.054 1.00 0.00 S ATOM 0 H CYS A 10 -3.381 13.896 -16.890 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.424 13.356 -19.054 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.201 14.291 -16.266 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.055 13.050 -16.734 1.00 0.00 H new ATOM 0 HG CYS A 10 1.140 15.597 -17.270 1.00 0.00 H new ATOM 111 N ALA A 11 -2.164 11.352 -16.527 1.00 0.00 N ATOM 112 CA ALA A 11 -2.325 9.960 -16.143 1.00 0.00 C ATOM 113 C ALA A 11 -0.998 9.224 -16.339 1.00 0.00 C ATOM 114 O ALA A 11 -0.571 8.997 -17.470 1.00 0.00 O ATOM 115 CB ALA A 11 -3.463 9.336 -16.953 1.00 0.00 C ATOM 0 H ALA A 11 -2.255 12.019 -15.761 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.593 9.881 -15.089 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.584 8.292 -16.665 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.389 9.877 -16.756 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.228 9.395 -18.016 1.00 0.00 H new ATOM 121 N MET A 12 -0.383 8.872 -15.220 1.00 0.00 N ATOM 122 CA MET A 12 0.887 8.167 -15.254 1.00 0.00 C ATOM 123 C MET A 12 1.223 7.575 -13.884 1.00 0.00 C ATOM 124 O MET A 12 0.588 7.912 -12.886 1.00 0.00 O ATOM 125 CB MET A 12 1.996 9.131 -15.679 1.00 0.00 C ATOM 126 CG MET A 12 2.320 8.973 -17.166 1.00 0.00 C ATOM 127 SD MET A 12 4.083 8.807 -17.393 1.00 0.00 S ATOM 128 CE MET A 12 4.159 8.719 -19.174 1.00 0.00 C ATOM 0 H MET A 12 -0.741 9.062 -14.284 1.00 0.00 H new ATOM 0 HA MET A 12 0.808 7.351 -15.972 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.688 10.157 -15.477 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.892 8.945 -15.086 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.809 8.097 -17.567 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.953 9.837 -17.720 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.197 8.613 -19.489 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.585 7.860 -19.521 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.741 9.631 -19.601 1.00 0.00 H new ATOM 138 N GLU A 13 2.220 6.702 -13.880 1.00 0.00 N ATOM 139 CA GLU A 13 2.647 6.060 -12.648 1.00 0.00 C ATOM 140 C GLU A 13 3.675 6.932 -11.924 1.00 0.00 C ATOM 141 O GLU A 13 4.876 6.804 -12.155 1.00 0.00 O ATOM 142 CB GLU A 13 3.210 4.664 -12.924 1.00 0.00 C ATOM 143 CG GLU A 13 2.110 3.604 -12.844 1.00 0.00 C ATOM 144 CD GLU A 13 1.204 3.659 -14.076 1.00 0.00 C ATOM 145 OE1 GLU A 13 1.730 3.398 -15.180 1.00 0.00 O ATOM 146 OE2 GLU A 13 0.006 3.962 -13.887 1.00 0.00 O ATOM 0 H GLU A 13 2.744 6.424 -14.710 1.00 0.00 H new ATOM 0 HA GLU A 13 1.777 5.944 -12.001 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.670 4.642 -13.912 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.994 4.435 -12.202 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.559 2.614 -12.763 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.515 3.759 -11.944 1.00 0.00 H new ATOM 153 N ASN A 14 3.165 7.800 -11.063 1.00 0.00 N ATOM 154 CA ASN A 14 4.023 8.693 -10.303 1.00 0.00 C ATOM 155 C ASN A 14 3.164 9.548 -9.369 1.00 0.00 C ATOM 156 O ASN A 14 1.941 9.580 -9.501 1.00 0.00 O ATOM 157 CB ASN A 14 4.795 9.635 -11.229 1.00 0.00 C ATOM 158 CG ASN A 14 3.842 10.414 -12.138 1.00 0.00 C ATOM 159 OD1 ASN A 14 3.270 9.887 -13.078 1.00 0.00 O ATOM 160 ND2 ASN A 14 3.703 11.694 -11.806 1.00 0.00 N ATOM 0 H ASN A 14 2.168 7.904 -10.875 1.00 0.00 H new ATOM 0 HA ASN A 14 4.728 8.083 -9.739 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.386 10.331 -10.634 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.495 9.061 -11.836 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.088 12.298 -12.351 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.212 12.072 -11.006 1.00 0.00 H new ATOM 167 N GLN A 15 3.837 10.220 -8.447 1.00 0.00 N ATOM 168 CA GLN A 15 3.150 11.073 -7.492 1.00 0.00 C ATOM 169 C GLN A 15 2.298 10.228 -6.543 1.00 0.00 C ATOM 170 O GLN A 15 1.798 9.172 -6.926 1.00 0.00 O ATOM 171 CB GLN A 15 2.297 12.122 -8.208 1.00 0.00 C ATOM 172 CG GLN A 15 2.378 13.473 -7.495 1.00 0.00 C ATOM 173 CD GLN A 15 3.366 14.406 -8.198 1.00 0.00 C ATOM 174 OE1 GLN A 15 2.999 15.252 -8.998 1.00 0.00 O ATOM 175 NE2 GLN A 15 4.636 14.206 -7.857 1.00 0.00 N ATOM 0 H GLN A 15 4.851 10.191 -8.341 1.00 0.00 H new ATOM 0 HA GLN A 15 3.899 11.602 -6.903 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.635 12.230 -9.239 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.260 11.788 -8.246 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.391 13.935 -7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.686 13.324 -6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.874 13.481 -7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.372 14.778 -8.272 1.00 0.00 H new ATOM 184 N VAL A 16 2.159 10.725 -5.323 1.00 0.00 N ATOM 185 CA VAL A 16 1.376 10.029 -4.316 1.00 0.00 C ATOM 186 C VAL A 16 1.715 8.537 -4.354 1.00 0.00 C ATOM 187 O VAL A 16 2.705 8.137 -4.965 1.00 0.00 O ATOM 188 CB VAL A 16 -0.113 10.309 -4.525 1.00 0.00 C ATOM 189 CG1 VAL A 16 -0.359 11.795 -4.793 1.00 0.00 C ATOM 190 CG2 VAL A 16 -0.680 9.447 -5.655 1.00 0.00 C ATOM 0 H VAL A 16 2.575 11.602 -5.009 1.00 0.00 H new ATOM 0 HA VAL A 16 1.625 10.394 -3.319 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.636 10.043 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.426 11.967 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.009 12.381 -3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.182 12.098 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.740 9.666 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.150 9.667 -6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.554 8.393 -5.407 1.00 0.00 H new ATOM 200 N LEU A 17 0.873 7.755 -3.694 1.00 0.00 N ATOM 201 CA LEU A 17 1.071 6.316 -3.644 1.00 0.00 C ATOM 202 C LEU A 17 -0.066 5.623 -4.398 1.00 0.00 C ATOM 203 O LEU A 17 -1.228 6.006 -4.264 1.00 0.00 O ATOM 204 CB LEU A 17 1.226 5.846 -2.197 1.00 0.00 C ATOM 205 CG LEU A 17 1.017 4.350 -1.951 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.321 3.575 -2.146 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.402 4.102 -0.572 1.00 0.00 C ATOM 0 H LEU A 17 0.052 8.091 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 17 2.000 6.042 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.225 6.114 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.518 6.398 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 17 0.308 3.977 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.145 2.515 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.678 3.715 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.071 3.943 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.264 3.031 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.066 4.493 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.563 4.605 -0.508 1.00 0.00 H new ATOM 219 N VAL A 18 0.308 4.617 -5.174 1.00 0.00 N ATOM 220 CA VAL A 18 -0.666 3.867 -5.948 1.00 0.00 C ATOM 221 C VAL A 18 -0.544 2.380 -5.611 1.00 0.00 C ATOM 222 O VAL A 18 0.440 1.736 -5.973 1.00 0.00 O ATOM 223 CB VAL A 18 -0.486 4.159 -7.439 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.420 3.291 -8.285 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.699 5.645 -7.737 1.00 0.00 C ATOM 0 H VAL A 18 1.272 4.304 -5.283 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.679 4.176 -5.690 1.00 0.00 H new ATOM 0 HB VAL A 18 0.540 3.907 -7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.272 3.519 -9.341 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.200 2.239 -8.106 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.455 3.497 -8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.565 5.825 -8.804 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.708 5.934 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.025 6.236 -7.176 1.00 0.00 H new ATOM 235 N ILE A 19 -1.558 1.876 -4.922 1.00 0.00 N ATOM 236 CA ILE A 19 -1.576 0.477 -4.533 1.00 0.00 C ATOM 237 C ILE A 19 -2.406 -0.319 -5.542 1.00 0.00 C ATOM 238 O ILE A 19 -3.575 -0.009 -5.771 1.00 0.00 O ATOM 239 CB ILE A 19 -2.058 0.329 -3.088 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.142 1.086 -2.124 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.199 -1.145 -2.705 1.00 0.00 C ATOM 242 CD1 ILE A 19 -1.824 1.298 -0.771 1.00 0.00 C ATOM 0 H ILE A 19 -2.373 2.412 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.568 0.064 -4.553 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.048 0.778 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.215 0.529 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.873 2.051 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.543 -1.222 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.922 -1.625 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.233 -1.640 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.151 1.838 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.738 1.876 -0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.070 0.331 -0.332 1.00 0.00 H new ATOM 254 N ARG A 20 -1.770 -1.328 -6.119 1.00 0.00 N ATOM 255 CA ARG A 20 -2.436 -2.170 -7.099 1.00 0.00 C ATOM 256 C ARG A 20 -2.803 -3.518 -6.477 1.00 0.00 C ATOM 257 O ARG A 20 -1.947 -4.388 -6.322 1.00 0.00 O ATOM 258 CB ARG A 20 -1.544 -2.404 -8.319 1.00 0.00 C ATOM 259 CG ARG A 20 -2.123 -3.497 -9.220 1.00 0.00 C ATOM 260 CD ARG A 20 -1.126 -3.896 -10.309 1.00 0.00 C ATOM 261 NE ARG A 20 -1.761 -4.841 -11.255 1.00 0.00 N ATOM 262 CZ ARG A 20 -1.795 -6.169 -11.081 1.00 0.00 C ATOM 263 NH1 ARG A 20 -1.231 -6.717 -9.996 1.00 0.00 N ATOM 264 NH2 ARG A 20 -2.393 -6.949 -11.992 1.00 0.00 N ATOM 0 H ARG A 20 -0.801 -1.582 -5.927 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.342 -1.655 -7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.444 -1.477 -8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.543 -2.688 -7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.380 -4.370 -8.620 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.046 -3.143 -9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.784 -3.009 -10.843 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.247 -4.356 -9.858 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.200 -4.457 -12.092 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.776 -6.123 -9.303 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.257 -7.728 -9.863 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.822 -6.532 -12.818 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.419 -7.960 -11.860 1.00 0.00 H new ATOM 278 N ILE A 21 -4.077 -3.650 -6.138 1.00 0.00 N ATOM 279 CA ILE A 21 -4.569 -4.878 -5.537 1.00 0.00 C ATOM 280 C ILE A 21 -4.765 -5.932 -6.628 1.00 0.00 C ATOM 281 O ILE A 21 -5.572 -5.747 -7.538 1.00 0.00 O ATOM 282 CB ILE A 21 -5.828 -4.605 -4.713 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.475 -3.972 -3.365 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.662 -5.877 -4.548 1.00 0.00 C ATOM 285 CD1 ILE A 21 -6.203 -2.640 -3.177 1.00 0.00 C ATOM 0 H ILE A 21 -4.784 -2.926 -6.268 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.837 -5.278 -4.835 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.442 -3.886 -5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.743 -4.654 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.398 -3.814 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.551 -5.655 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.960 -6.246 -5.529 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.069 -6.637 -4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.934 -2.212 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.914 -1.952 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.280 -2.806 -3.214 1.00 0.00 H new ATOM 297 N LYS A 22 -4.013 -7.016 -6.503 1.00 0.00 N ATOM 298 CA LYS A 22 -4.094 -8.100 -7.467 1.00 0.00 C ATOM 299 C LYS A 22 -5.475 -8.751 -7.380 1.00 0.00 C ATOM 300 O LYS A 22 -5.829 -9.332 -6.355 1.00 0.00 O ATOM 301 CB LYS A 22 -2.937 -9.081 -7.268 1.00 0.00 C ATOM 302 CG LYS A 22 -3.262 -10.443 -7.886 1.00 0.00 C ATOM 303 CD LYS A 22 -3.277 -10.363 -9.413 1.00 0.00 C ATOM 304 CE LYS A 22 -2.186 -11.248 -10.019 1.00 0.00 C ATOM 305 NZ LYS A 22 -2.581 -12.673 -9.957 1.00 0.00 N ATOM 0 H LYS A 22 -3.344 -7.167 -5.748 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.985 -7.717 -8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.032 -8.678 -7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.735 -9.199 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.524 -11.178 -7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.232 -10.787 -7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.252 -10.674 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.129 -9.330 -9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.008 -10.959 -11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.249 -11.100 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.830 -13.260 -10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.728 -12.950 -8.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.463 -12.812 -10.490 1.00 0.00 H new ATOM 319 N ILE A 23 -6.219 -8.633 -8.470 1.00 0.00 N ATOM 320 CA ILE A 23 -7.554 -9.203 -8.531 1.00 0.00 C ATOM 321 C ILE A 23 -7.471 -10.628 -9.082 1.00 0.00 C ATOM 322 O ILE A 23 -6.688 -10.901 -9.990 1.00 0.00 O ATOM 323 CB ILE A 23 -8.492 -8.291 -9.324 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.376 -6.841 -8.849 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.933 -8.800 -9.265 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.554 -6.463 -7.948 1.00 0.00 C ATOM 0 H ILE A 23 -5.922 -8.151 -9.318 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.984 -9.271 -7.532 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.187 -8.313 -10.370 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.440 -6.706 -8.306 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.344 -6.174 -9.710 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.578 -8.133 -9.837 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.982 -9.803 -9.688 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.267 -8.827 -8.228 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.447 -5.428 -7.624 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.486 -6.576 -8.502 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.569 -7.116 -7.075 1.00 0.00 H new ATOM 338 N PRO A 24 -8.312 -11.522 -8.495 1.00 0.00 N ATOM 339 CA PRO A 24 -8.341 -12.912 -8.917 1.00 0.00 C ATOM 340 C PRO A 24 -9.062 -13.062 -10.258 1.00 0.00 C ATOM 341 O PRO A 24 -10.229 -12.694 -10.384 1.00 0.00 O ATOM 342 CB PRO A 24 -9.031 -13.653 -7.785 1.00 0.00 C ATOM 343 CG PRO A 24 -9.775 -12.595 -6.986 1.00 0.00 C ATOM 344 CD PRO A 24 -9.253 -11.234 -7.416 1.00 0.00 C ATOM 0 HA PRO A 24 -7.345 -13.320 -9.092 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.718 -14.405 -8.172 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.306 -14.175 -7.161 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.848 -12.666 -7.164 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.619 -12.744 -5.918 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.063 -10.589 -7.758 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.763 -10.719 -6.590 1.00 0.00 H new ATOM 352 N ASN A 25 -8.337 -13.603 -11.227 1.00 0.00 N ATOM 353 CA ASN A 25 -8.894 -13.806 -12.553 1.00 0.00 C ATOM 354 C ASN A 25 -9.757 -12.600 -12.930 1.00 0.00 C ATOM 355 O ASN A 25 -10.984 -12.691 -12.942 1.00 0.00 O ATOM 356 CB ASN A 25 -9.780 -15.053 -12.594 1.00 0.00 C ATOM 357 CG ASN A 25 -9.512 -15.875 -13.856 1.00 0.00 C ATOM 358 OD1 ASN A 25 -8.394 -15.979 -14.335 1.00 0.00 O ATOM 359 ND2 ASN A 25 -10.596 -16.451 -14.367 1.00 0.00 N ATOM 0 H ASN A 25 -7.369 -13.907 -11.120 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.066 -13.929 -13.251 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.594 -15.665 -11.711 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.829 -14.759 -12.563 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.522 -17.021 -15.210 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.502 -16.323 -13.916 1.00 0.00 H new ATOM 366 N SER A 26 -9.083 -11.500 -13.228 1.00 0.00 N ATOM 367 CA SER A 26 -9.773 -10.277 -13.604 1.00 0.00 C ATOM 368 C SER A 26 -8.759 -9.208 -14.014 1.00 0.00 C ATOM 369 O SER A 26 -8.818 -8.685 -15.126 1.00 0.00 O ATOM 370 CB SER A 26 -10.649 -9.766 -12.459 1.00 0.00 C ATOM 371 OG SER A 26 -11.137 -8.450 -12.707 1.00 0.00 O ATOM 0 H SER A 26 -8.066 -11.429 -13.217 1.00 0.00 H new ATOM 0 HA SER A 26 -10.421 -10.497 -14.452 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.491 -10.444 -12.316 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.074 -9.771 -11.533 1.00 0.00 H new ATOM 0 HG SER A 26 -11.693 -8.160 -11.954 1.00 0.00 H new ATOM 377 N GLY A 27 -7.850 -8.916 -13.095 1.00 0.00 N ATOM 378 CA GLY A 27 -6.824 -7.918 -13.347 1.00 0.00 C ATOM 379 C GLY A 27 -6.280 -7.348 -12.036 1.00 0.00 C ATOM 380 O GLY A 27 -5.739 -8.084 -11.212 1.00 0.00 O ATOM 0 H GLY A 27 -7.803 -9.353 -12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.010 -8.364 -13.919 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.237 -7.112 -13.954 1.00 0.00 H new ATOM 384 N ALA A 28 -6.441 -6.042 -11.884 1.00 0.00 N ATOM 385 CA ALA A 28 -5.972 -5.364 -10.688 1.00 0.00 C ATOM 386 C ALA A 28 -6.508 -3.931 -10.675 1.00 0.00 C ATOM 387 O ALA A 28 -6.700 -3.327 -11.729 1.00 0.00 O ATOM 388 CB ALA A 28 -4.443 -5.415 -10.638 1.00 0.00 C ATOM 0 H ALA A 28 -6.890 -5.435 -12.570 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.344 -5.863 -9.793 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.091 -4.906 -9.741 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.114 -6.454 -10.619 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.033 -4.921 -11.519 1.00 0.00 H new ATOM 394 N VAL A 29 -6.735 -3.429 -9.470 1.00 0.00 N ATOM 395 CA VAL A 29 -7.246 -2.079 -9.306 1.00 0.00 C ATOM 396 C VAL A 29 -6.213 -1.235 -8.555 1.00 0.00 C ATOM 397 O VAL A 29 -5.538 -1.731 -7.655 1.00 0.00 O ATOM 398 CB VAL A 29 -8.608 -2.115 -8.610 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.866 -0.817 -7.842 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.729 -2.390 -9.614 1.00 0.00 C ATOM 0 H VAL A 29 -6.574 -3.933 -8.598 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.405 -1.611 -10.277 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.595 -2.933 -7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.841 -0.869 -7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.092 -0.681 -7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.850 0.025 -8.534 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.687 -2.411 -9.094 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.743 -1.603 -10.368 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.558 -3.352 -10.096 1.00 0.00 H new ATOM 410 N ASP A 30 -6.123 0.025 -8.954 1.00 0.00 N ATOM 411 CA ASP A 30 -5.185 0.942 -8.330 1.00 0.00 C ATOM 412 C ASP A 30 -5.932 1.832 -7.334 1.00 0.00 C ATOM 413 O ASP A 30 -6.858 2.549 -7.711 1.00 0.00 O ATOM 414 CB ASP A 30 -4.525 1.849 -9.371 1.00 0.00 C ATOM 415 CG ASP A 30 -5.323 3.102 -9.735 1.00 0.00 C ATOM 416 OD1 ASP A 30 -5.209 4.088 -8.974 1.00 0.00 O ATOM 417 OD2 ASP A 30 -6.029 3.047 -10.765 1.00 0.00 O ATOM 0 H ASP A 30 -6.684 0.432 -9.702 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.419 0.350 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.548 2.155 -8.997 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.352 1.270 -10.278 1.00 0.00 H new ATOM 422 N TRP A 31 -5.503 1.755 -6.083 1.00 0.00 N ATOM 423 CA TRP A 31 -6.120 2.544 -5.031 1.00 0.00 C ATOM 424 C TRP A 31 -5.325 3.844 -4.886 1.00 0.00 C ATOM 425 O TRP A 31 -4.242 3.852 -4.304 1.00 0.00 O ATOM 426 CB TRP A 31 -6.206 1.748 -3.727 1.00 0.00 C ATOM 427 CG TRP A 31 -6.460 2.609 -2.488 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.081 3.794 -2.420 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.071 2.301 -1.133 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.121 4.271 -1.125 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.487 3.334 -0.318 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.390 1.186 -0.613 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.269 3.354 1.065 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.180 1.222 0.771 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.593 2.254 1.605 1.00 0.00 C ATOM 0 H TRP A 31 -4.736 1.158 -5.774 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.149 2.792 -5.289 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.005 1.011 -3.815 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.277 1.195 -3.589 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.498 4.311 -3.271 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.539 5.149 -0.817 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.055 0.367 -1.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.605 4.174 1.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.661 0.389 1.222 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.393 2.207 2.665 1.00 0.00 H new ATOM 446 N THR A 32 -5.894 4.911 -5.427 1.00 0.00 N ATOM 447 CA THR A 32 -5.252 6.213 -5.366 1.00 0.00 C ATOM 448 C THR A 32 -5.031 6.631 -3.911 1.00 0.00 C ATOM 449 O THR A 32 -5.954 7.100 -3.248 1.00 0.00 O ATOM 450 CB THR A 32 -6.112 7.202 -6.157 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.578 8.478 -5.814 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.556 7.255 -5.655 1.00 0.00 C ATOM 0 H THR A 32 -6.793 4.901 -5.910 1.00 0.00 H new ATOM 0 HA THR A 32 -4.261 6.186 -5.819 1.00 0.00 H new ATOM 0 HB THR A 32 -6.105 6.926 -7.211 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.403 8.990 -6.631 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.122 7.972 -6.250 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.010 6.268 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.567 7.563 -4.610 1.00 0.00 H new ATOM 460 N VAL A 33 -3.800 6.444 -3.456 1.00 0.00 N ATOM 461 CA VAL A 33 -3.445 6.795 -2.092 1.00 0.00 C ATOM 462 C VAL A 33 -2.645 8.099 -2.097 1.00 0.00 C ATOM 463 O VAL A 33 -1.737 8.271 -2.908 1.00 0.00 O ATOM 464 CB VAL A 33 -2.695 5.636 -1.431 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.240 6.011 -0.019 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.551 4.368 -1.413 1.00 0.00 C ATOM 0 H VAL A 33 -3.036 6.054 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.342 6.966 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.805 5.431 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.710 5.170 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.576 6.874 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.110 6.257 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.994 3.560 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.467 4.555 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.802 4.084 -2.435 1.00 0.00 H new ATOM 476 N HIS A 34 -3.012 8.985 -1.182 1.00 0.00 N ATOM 477 CA HIS A 34 -2.340 10.268 -1.071 1.00 0.00 C ATOM 478 C HIS A 34 -1.599 10.345 0.265 1.00 0.00 C ATOM 479 O HIS A 34 -0.511 10.914 0.344 1.00 0.00 O ATOM 480 CB HIS A 34 -3.329 11.418 -1.267 1.00 0.00 C ATOM 481 CG HIS A 34 -3.957 11.460 -2.640 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.117 12.633 -3.356 1.00 0.00 N ATOM 483 CD2 HIS A 34 -4.463 10.461 -3.419 1.00 0.00 C ATOM 484 CE1 HIS A 34 -4.694 12.342 -4.513 1.00 0.00 C ATOM 485 NE2 HIS A 34 -4.908 10.996 -4.550 1.00 0.00 N ATOM 0 H HIS A 34 -3.766 8.839 -0.511 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.599 10.364 -1.864 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.118 11.336 -0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.814 12.361 -1.085 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.496 9.413 -3.160 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.950 13.047 -5.290 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.339 10.484 -5.320 1.00 0.00 H new ATOM 493 N SER A 35 -2.217 9.764 1.283 1.00 0.00 N ATOM 494 CA SER A 35 -1.630 9.760 2.612 1.00 0.00 C ATOM 495 C SER A 35 -0.765 8.512 2.798 1.00 0.00 C ATOM 496 O SER A 35 -0.944 7.766 3.760 1.00 0.00 O ATOM 497 CB SER A 35 -2.711 9.822 3.692 1.00 0.00 C ATOM 498 OG SER A 35 -2.845 11.131 4.239 1.00 0.00 O ATOM 0 H SER A 35 -3.119 9.293 1.214 1.00 0.00 H new ATOM 0 HA SER A 35 -1.004 10.647 2.712 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.665 9.507 3.269 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.468 9.119 4.489 1.00 0.00 H new ATOM 0 HG SER A 35 -3.645 11.169 4.803 1.00 0.00 H new ATOM 504 N GLY A 36 0.154 8.323 1.863 1.00 0.00 N ATOM 505 CA GLY A 36 1.047 7.178 1.912 1.00 0.00 C ATOM 506 C GLY A 36 1.572 6.952 3.331 1.00 0.00 C ATOM 507 O GLY A 36 1.444 5.858 3.878 1.00 0.00 O ATOM 0 H GLY A 36 0.300 8.944 1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.521 6.287 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.884 7.336 1.232 1.00 0.00 H new ATOM 511 N PRO A 37 2.169 8.033 3.902 1.00 0.00 N ATOM 512 CA PRO A 37 2.714 7.964 5.247 1.00 0.00 C ATOM 513 C PRO A 37 1.597 7.984 6.293 1.00 0.00 C ATOM 514 O PRO A 37 1.714 7.354 7.343 1.00 0.00 O ATOM 515 CB PRO A 37 3.650 9.156 5.354 1.00 0.00 C ATOM 516 CG PRO A 37 3.244 10.107 4.239 1.00 0.00 C ATOM 517 CD PRO A 37 2.339 9.345 3.284 1.00 0.00 C ATOM 0 HA PRO A 37 3.252 7.035 5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.561 9.636 6.328 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.690 8.847 5.245 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.725 10.974 4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.124 10.480 3.715 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.381 9.850 3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.788 9.261 2.294 1.00 0.00 H new ATOM 525 N GLN A 38 0.540 8.715 5.969 1.00 0.00 N ATOM 526 CA GLN A 38 -0.596 8.826 6.868 1.00 0.00 C ATOM 527 C GLN A 38 -1.635 7.750 6.545 1.00 0.00 C ATOM 528 O GLN A 38 -2.834 8.023 6.533 1.00 0.00 O ATOM 529 CB GLN A 38 -1.215 10.223 6.799 1.00 0.00 C ATOM 530 CG GLN A 38 -1.736 10.660 8.170 1.00 0.00 C ATOM 531 CD GLN A 38 -1.525 12.160 8.384 1.00 0.00 C ATOM 532 OE1 GLN A 38 -1.446 12.941 7.451 1.00 0.00 O ATOM 533 NE2 GLN A 38 -1.439 12.517 9.663 1.00 0.00 N ATOM 0 H GLN A 38 0.447 9.236 5.097 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.244 8.670 7.888 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.472 10.937 6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.032 10.228 6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.797 10.423 8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.223 10.102 8.953 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.514 11.811 10.396 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.298 13.496 9.911 1.00 0.00 H new ATOM 542 N LEU A 39 -1.137 6.549 6.290 1.00 0.00 N ATOM 543 CA LEU A 39 -2.007 5.430 5.968 1.00 0.00 C ATOM 544 C LEU A 39 -1.944 4.399 7.097 1.00 0.00 C ATOM 545 O LEU A 39 -0.925 4.277 7.775 1.00 0.00 O ATOM 546 CB LEU A 39 -1.657 4.859 4.593 1.00 0.00 C ATOM 547 CG LEU A 39 -2.585 3.762 4.067 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.950 4.336 3.683 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.936 3.004 2.907 1.00 0.00 C ATOM 0 H LEU A 39 -0.142 6.326 6.300 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.043 5.761 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.649 5.677 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.643 4.461 4.634 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.752 3.043 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.590 3.535 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.411 4.794 4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.822 5.088 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.617 2.230 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.720 3.698 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.008 2.543 3.247 1.00 0.00 H new ATOM 561 N LEU A 40 -3.046 3.683 7.263 1.00 0.00 N ATOM 562 CA LEU A 40 -3.129 2.667 8.298 1.00 0.00 C ATOM 563 C LEU A 40 -3.447 1.315 7.654 1.00 0.00 C ATOM 564 O LEU A 40 -3.914 1.259 6.518 1.00 0.00 O ATOM 565 CB LEU A 40 -4.128 3.083 9.379 1.00 0.00 C ATOM 566 CG LEU A 40 -3.746 4.310 10.209 1.00 0.00 C ATOM 567 CD1 LEU A 40 -4.928 4.792 11.052 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.509 4.030 11.064 1.00 0.00 C ATOM 0 H LEU A 40 -3.889 3.786 6.698 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.171 2.562 8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.089 3.276 8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.272 2.241 10.056 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.488 5.118 9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.629 5.665 11.632 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.758 5.058 10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.241 3.997 11.729 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.259 4.918 11.644 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.715 3.201 11.741 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.671 3.771 10.417 1.00 0.00 H new ATOM 580 N PHE A 41 -3.180 0.259 8.409 1.00 0.00 N ATOM 581 CA PHE A 41 -3.432 -1.088 7.927 1.00 0.00 C ATOM 582 C PHE A 41 -4.920 -1.299 7.641 1.00 0.00 C ATOM 583 O PHE A 41 -5.288 -1.780 6.571 1.00 0.00 O ATOM 584 CB PHE A 41 -2.996 -2.049 9.035 1.00 0.00 C ATOM 585 CG PHE A 41 -3.186 -3.527 8.688 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.636 -4.034 7.552 1.00 0.00 C ATOM 587 CD2 PHE A 41 -3.904 -4.332 9.515 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.812 -5.406 7.230 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.080 -5.704 9.192 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.530 -6.212 8.057 1.00 0.00 C ATOM 0 H PHE A 41 -2.792 0.309 9.351 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.884 -1.260 7.001 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.945 -1.872 9.262 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.560 -1.824 9.940 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.066 -3.394 6.895 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.340 -3.929 10.417 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.376 -5.809 6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.651 -6.344 9.848 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.663 -7.255 7.812 1.00 0.00 H new ATOM 600 N ARG A 42 -5.735 -0.929 8.618 1.00 0.00 N ATOM 601 CA ARG A 42 -7.175 -1.072 8.485 1.00 0.00 C ATOM 602 C ARG A 42 -7.659 -0.402 7.197 1.00 0.00 C ATOM 603 O ARG A 42 -8.416 -0.996 6.431 1.00 0.00 O ATOM 604 CB ARG A 42 -7.903 -0.451 9.679 1.00 0.00 C ATOM 605 CG ARG A 42 -7.439 -1.082 10.993 1.00 0.00 C ATOM 606 CD ARG A 42 -7.724 -2.585 11.010 1.00 0.00 C ATOM 607 NE ARG A 42 -8.183 -2.998 12.355 1.00 0.00 N ATOM 608 CZ ARG A 42 -8.289 -4.273 12.755 1.00 0.00 C ATOM 609 NH1 ARG A 42 -7.971 -5.266 11.914 1.00 0.00 N ATOM 610 NH2 ARG A 42 -8.714 -4.553 13.994 1.00 0.00 N ATOM 0 H ARG A 42 -5.426 -0.531 9.505 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.400 -2.138 8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.720 0.623 9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.978 -0.588 9.565 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.371 -0.909 11.126 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.946 -0.602 11.830 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.484 -2.828 10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.824 -3.137 10.738 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.435 -2.266 13.020 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.649 -5.052 10.970 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.051 -6.237 12.217 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.957 -3.796 14.633 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.795 -5.523 14.298 1.00 0.00 H new ATOM 624 N ASP A 43 -7.201 0.825 6.998 1.00 0.00 N ATOM 625 CA ASP A 43 -7.577 1.582 5.816 1.00 0.00 C ATOM 626 C ASP A 43 -7.486 0.677 4.586 1.00 0.00 C ATOM 627 O ASP A 43 -8.436 0.580 3.811 1.00 0.00 O ATOM 628 CB ASP A 43 -6.636 2.769 5.600 1.00 0.00 C ATOM 629 CG ASP A 43 -7.042 4.056 6.322 1.00 0.00 C ATOM 630 OD1 ASP A 43 -7.666 3.930 7.398 1.00 0.00 O ATOM 631 OD2 ASP A 43 -6.720 5.136 5.782 1.00 0.00 O ATOM 0 H ASP A 43 -6.573 1.314 7.636 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.593 1.949 5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.636 2.485 5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.573 2.974 4.531 1.00 0.00 H new ATOM 636 N VAL A 44 -6.335 0.036 4.446 1.00 0.00 N ATOM 637 CA VAL A 44 -6.108 -0.858 3.323 1.00 0.00 C ATOM 638 C VAL A 44 -7.236 -1.890 3.263 1.00 0.00 C ATOM 639 O VAL A 44 -7.824 -2.111 2.205 1.00 0.00 O ATOM 640 CB VAL A 44 -4.721 -1.494 3.433 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.475 -2.474 2.284 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.629 -0.424 3.484 1.00 0.00 C ATOM 0 H VAL A 44 -5.550 0.118 5.092 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.123 -0.304 2.384 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.683 -2.055 4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.482 -2.912 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.225 -3.264 2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.542 -1.945 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.653 -0.903 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.666 0.177 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.788 0.218 4.351 1.00 0.00 H new ATOM 652 N LEU A 45 -7.505 -2.494 4.411 1.00 0.00 N ATOM 653 CA LEU A 45 -8.552 -3.497 4.501 1.00 0.00 C ATOM 654 C LEU A 45 -9.906 -2.842 4.220 1.00 0.00 C ATOM 655 O LEU A 45 -10.794 -3.467 3.643 1.00 0.00 O ATOM 656 CB LEU A 45 -8.486 -4.220 5.848 1.00 0.00 C ATOM 657 CG LEU A 45 -7.281 -5.138 6.058 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.868 -5.810 4.747 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.119 -4.379 6.704 1.00 0.00 C ATOM 0 H LEU A 45 -7.016 -2.308 5.287 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.408 -4.268 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.490 -3.471 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.394 -4.812 5.965 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.572 -5.930 6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.009 -6.457 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.698 -6.405 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.602 -5.047 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.275 -5.055 6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.820 -3.553 6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.433 -3.988 7.672 1.00 0.00 H new ATOM 671 N ASP A 46 -10.021 -1.591 4.642 1.00 0.00 N ATOM 672 CA ASP A 46 -11.251 -0.844 4.443 1.00 0.00 C ATOM 673 C ASP A 46 -11.449 -0.584 2.948 1.00 0.00 C ATOM 674 O ASP A 46 -12.580 -0.488 2.476 1.00 0.00 O ATOM 675 CB ASP A 46 -11.195 0.509 5.155 1.00 0.00 C ATOM 676 CG ASP A 46 -11.798 0.525 6.561 1.00 0.00 C ATOM 677 OD1 ASP A 46 -12.960 0.081 6.685 1.00 0.00 O ATOM 678 OD2 ASP A 46 -11.084 0.982 7.479 1.00 0.00 O ATOM 0 H ASP A 46 -9.282 -1.076 5.121 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.073 -1.433 4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.154 0.826 5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.716 1.246 4.544 1.00 0.00 H new ATOM 683 N VAL A 47 -10.330 -0.478 2.246 1.00 0.00 N ATOM 684 CA VAL A 47 -10.367 -0.231 0.814 1.00 0.00 C ATOM 685 C VAL A 47 -10.571 -1.556 0.077 1.00 0.00 C ATOM 686 O VAL A 47 -11.507 -1.696 -0.708 1.00 0.00 O ATOM 687 CB VAL A 47 -9.099 0.506 0.378 1.00 0.00 C ATOM 688 CG1 VAL A 47 -8.988 0.551 -1.147 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.051 1.914 0.974 1.00 0.00 C ATOM 0 H VAL A 47 -9.393 -0.558 2.641 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.207 0.415 0.559 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.241 -0.048 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.078 1.080 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.954 -0.465 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.853 1.070 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.140 2.416 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.918 2.482 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.061 1.849 2.062 1.00 0.00 H new ATOM 699 N ILE A 48 -9.679 -2.496 0.357 1.00 0.00 N ATOM 700 CA ILE A 48 -9.750 -3.805 -0.270 1.00 0.00 C ATOM 701 C ILE A 48 -11.178 -4.344 -0.156 1.00 0.00 C ATOM 702 O ILE A 48 -11.707 -4.917 -1.107 1.00 0.00 O ATOM 703 CB ILE A 48 -8.691 -4.739 0.320 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.302 -4.410 -0.231 1.00 0.00 C ATOM 705 CG2 ILE A 48 -9.066 -6.205 0.093 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.226 -5.251 0.459 1.00 0.00 C ATOM 0 H ILE A 48 -8.904 -2.377 1.009 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.521 -3.731 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.656 -4.579 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.280 -4.594 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.090 -3.351 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.297 -6.848 0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.022 -6.414 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -9.146 -6.399 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.248 -4.998 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.235 -5.046 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.427 -6.309 0.290 1.00 0.00 H new ATOM 718 N GLY A 49 -11.761 -4.140 1.017 1.00 0.00 N ATOM 719 CA GLY A 49 -13.117 -4.599 1.268 1.00 0.00 C ATOM 720 C GLY A 49 -14.061 -4.154 0.149 1.00 0.00 C ATOM 721 O GLY A 49 -15.074 -4.803 -0.107 1.00 0.00 O ATOM 0 H GLY A 49 -11.319 -3.663 1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.128 -5.686 1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.467 -4.206 2.222 1.00 0.00 H new ATOM 725 N GLN A 50 -13.696 -3.051 -0.487 1.00 0.00 N ATOM 726 CA GLN A 50 -14.498 -2.512 -1.572 1.00 0.00 C ATOM 727 C GLN A 50 -14.118 -3.179 -2.895 1.00 0.00 C ATOM 728 O GLN A 50 -14.919 -3.218 -3.828 1.00 0.00 O ATOM 729 CB GLN A 50 -14.349 -0.992 -1.662 1.00 0.00 C ATOM 730 CG GLN A 50 -14.559 -0.339 -0.294 1.00 0.00 C ATOM 731 CD GLN A 50 -15.549 0.825 -0.389 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.722 0.654 -0.677 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.011 2.014 -0.131 1.00 0.00 N ATOM 0 H GLN A 50 -12.855 -2.515 -0.272 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.546 -2.730 -1.365 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.358 -0.742 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.072 -0.594 -2.374 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -14.930 -1.080 0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.605 0.021 0.092 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.021 2.086 0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.589 2.854 -0.168 1.00 0.00 H new ATOM 742 N VAL A 51 -12.895 -3.689 -2.935 1.00 0.00 N ATOM 743 CA VAL A 51 -12.399 -4.352 -4.128 1.00 0.00 C ATOM 744 C VAL A 51 -12.900 -5.798 -4.148 1.00 0.00 C ATOM 745 O VAL A 51 -13.399 -6.272 -5.168 1.00 0.00 O ATOM 746 CB VAL A 51 -10.874 -4.248 -4.190 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.339 -4.804 -5.511 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.415 -2.804 -3.977 1.00 0.00 C ATOM 0 H VAL A 51 -12.233 -3.656 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.781 -3.862 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.464 -4.854 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.253 -4.718 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.621 -5.853 -5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.761 -4.238 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.327 -2.757 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.841 -2.169 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.750 -2.456 -3.000 1.00 0.00 H new ATOM 758 N LEU A 52 -12.751 -6.458 -3.009 1.00 0.00 N ATOM 759 CA LEU A 52 -13.182 -7.840 -2.883 1.00 0.00 C ATOM 760 C LEU A 52 -14.219 -7.946 -1.763 1.00 0.00 C ATOM 761 O LEU A 52 -13.905 -8.390 -0.661 1.00 0.00 O ATOM 762 CB LEU A 52 -11.976 -8.762 -2.693 1.00 0.00 C ATOM 763 CG LEU A 52 -11.140 -9.039 -3.944 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.320 -7.810 -4.339 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.262 -10.277 -3.754 1.00 0.00 C ATOM 0 H LEU A 52 -12.338 -6.061 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.667 -8.173 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.326 -8.325 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.330 -9.714 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.820 -9.251 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.735 -8.034 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.991 -6.976 -4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.649 -7.543 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.678 -10.451 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.588 -10.119 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.893 -11.144 -3.557 1.00 0.00 H new ATOM 777 N PRO A 53 -15.468 -7.519 -2.094 1.00 0.00 N ATOM 778 CA PRO A 53 -16.553 -7.561 -1.129 1.00 0.00 C ATOM 779 C PRO A 53 -17.057 -8.992 -0.934 1.00 0.00 C ATOM 780 O PRO A 53 -17.688 -9.300 0.077 1.00 0.00 O ATOM 781 CB PRO A 53 -17.615 -6.629 -1.690 1.00 0.00 C ATOM 782 CG PRO A 53 -17.286 -6.462 -3.165 1.00 0.00 C ATOM 783 CD PRO A 53 -15.877 -6.986 -3.390 1.00 0.00 C ATOM 0 HA PRO A 53 -16.244 -7.239 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.612 -7.048 -1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.602 -5.668 -1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -18.000 -7.010 -3.780 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.354 -5.414 -3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.860 -7.758 -4.159 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.207 -6.192 -3.721 1.00 0.00 H new ATOM 791 N GLU A 54 -16.761 -9.829 -1.917 1.00 0.00 N ATOM 792 CA GLU A 54 -17.176 -11.221 -1.866 1.00 0.00 C ATOM 793 C GLU A 54 -16.042 -12.094 -1.324 1.00 0.00 C ATOM 794 O GLU A 54 -16.245 -13.272 -1.036 1.00 0.00 O ATOM 795 CB GLU A 54 -17.633 -11.708 -3.242 1.00 0.00 C ATOM 796 CG GLU A 54 -17.427 -13.217 -3.387 1.00 0.00 C ATOM 797 CD GLU A 54 -18.307 -13.987 -2.401 1.00 0.00 C ATOM 798 OE1 GLU A 54 -19.113 -13.320 -1.718 1.00 0.00 O ATOM 799 OE2 GLU A 54 -18.154 -15.227 -2.352 1.00 0.00 O ATOM 0 H GLU A 54 -16.239 -9.570 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 54 -18.026 -11.301 -1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -18.686 -11.466 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -17.076 -11.185 -4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -17.662 -13.524 -4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -16.379 -13.463 -3.214 1.00 0.00 H new ATOM 806 N ALA A 55 -14.874 -11.481 -1.202 1.00 0.00 N ATOM 807 CA ALA A 55 -13.708 -12.188 -0.700 1.00 0.00 C ATOM 808 C ALA A 55 -13.009 -11.326 0.354 1.00 0.00 C ATOM 809 O ALA A 55 -12.511 -10.244 0.045 1.00 0.00 O ATOM 810 CB ALA A 55 -12.785 -12.544 -1.867 1.00 0.00 C ATOM 0 H ALA A 55 -14.710 -10.503 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.002 -13.122 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.910 -13.074 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.319 -13.180 -2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.467 -11.631 -2.371 1.00 0.00 H new ATOM 816 N THR A 56 -12.994 -11.838 1.576 1.00 0.00 N ATOM 817 CA THR A 56 -12.364 -11.129 2.676 1.00 0.00 C ATOM 818 C THR A 56 -10.885 -10.880 2.374 1.00 0.00 C ATOM 819 O THR A 56 -10.418 -11.157 1.270 1.00 0.00 O ATOM 820 CB THR A 56 -12.595 -11.938 3.954 1.00 0.00 C ATOM 821 OG1 THR A 56 -12.073 -11.110 4.989 1.00 0.00 O ATOM 822 CG2 THR A 56 -11.730 -13.199 4.013 1.00 0.00 C ATOM 0 H THR A 56 -13.408 -12.735 1.828 1.00 0.00 H new ATOM 0 HA THR A 56 -12.805 -10.142 2.814 1.00 0.00 H new ATOM 0 HB THR A 56 -13.647 -12.216 4.022 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.263 -11.519 5.358 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.933 -13.736 4.940 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.963 -13.840 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.677 -12.920 3.978 1.00 0.00 H new ATOM 830 N THR A 57 -10.189 -10.359 3.374 1.00 0.00 N ATOM 831 CA THR A 57 -8.773 -10.070 3.229 1.00 0.00 C ATOM 832 C THR A 57 -8.094 -10.029 4.600 1.00 0.00 C ATOM 833 O THR A 57 -7.518 -11.023 5.041 1.00 0.00 O ATOM 834 CB THR A 57 -8.635 -8.764 2.444 1.00 0.00 C ATOM 835 OG1 THR A 57 -9.166 -9.074 1.159 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.176 -8.399 2.166 1.00 0.00 C ATOM 0 H THR A 57 -10.580 -10.130 4.288 1.00 0.00 H new ATOM 0 HA THR A 57 -8.264 -10.857 2.672 1.00 0.00 H new ATOM 0 HB THR A 57 -9.112 -7.956 2.998 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.100 -10.039 1.002 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.135 -7.464 1.607 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.644 -8.280 3.110 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.707 -9.192 1.583 1.00 0.00 H new ATOM 844 N THR A 58 -8.184 -8.870 5.235 1.00 0.00 N ATOM 845 CA THR A 58 -7.586 -8.687 6.546 1.00 0.00 C ATOM 846 C THR A 58 -6.101 -8.341 6.412 1.00 0.00 C ATOM 847 O THR A 58 -5.651 -7.315 6.920 1.00 0.00 O ATOM 848 CB THR A 58 -7.842 -9.954 7.364 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.158 -10.350 6.988 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.953 -9.671 8.864 1.00 0.00 C ATOM 0 H THR A 58 -8.662 -8.048 4.866 1.00 0.00 H new ATOM 0 HA THR A 58 -8.038 -7.846 7.072 1.00 0.00 H new ATOM 0 HB THR A 58 -7.037 -10.668 7.188 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.405 -11.166 7.471 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.135 -10.604 9.398 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.025 -9.224 9.220 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.779 -8.983 9.044 1.00 0.00 H new ATOM 858 N ALA A 59 -5.383 -9.216 5.724 1.00 0.00 N ATOM 859 CA ALA A 59 -3.959 -9.015 5.515 1.00 0.00 C ATOM 860 C ALA A 59 -3.659 -9.035 4.015 1.00 0.00 C ATOM 861 O ALA A 59 -4.512 -9.414 3.213 1.00 0.00 O ATOM 862 CB ALA A 59 -3.175 -10.084 6.280 1.00 0.00 C ATOM 0 H ALA A 59 -5.760 -10.066 5.304 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.649 -8.044 5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.107 -9.934 6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.400 -10.009 7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.459 -11.072 5.918 1.00 0.00 H new ATOM 868 N PHE A 60 -2.445 -8.622 3.681 1.00 0.00 N ATOM 869 CA PHE A 60 -2.023 -8.588 2.291 1.00 0.00 C ATOM 870 C PHE A 60 -0.504 -8.731 2.176 1.00 0.00 C ATOM 871 O PHE A 60 0.232 -8.309 3.067 1.00 0.00 O ATOM 872 CB PHE A 60 -2.439 -7.226 1.731 1.00 0.00 C ATOM 873 CG PHE A 60 -2.062 -6.044 2.625 1.00 0.00 C ATOM 874 CD1 PHE A 60 -0.851 -5.442 2.483 1.00 0.00 C ATOM 875 CD2 PHE A 60 -2.939 -5.594 3.563 1.00 0.00 C ATOM 876 CE1 PHE A 60 -0.502 -4.344 3.313 1.00 0.00 C ATOM 877 CE2 PHE A 60 -2.589 -4.497 4.394 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.378 -3.895 4.251 1.00 0.00 C ATOM 0 H PHE A 60 -1.741 -8.308 4.349 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.481 -9.411 1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.977 -7.090 0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.518 -7.222 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.155 -5.799 1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.901 -6.071 3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.459 -3.865 3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.284 -4.141 5.140 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.112 -3.060 4.883 1.00 0.00 H new ATOM 888 N GLU A 61 -0.080 -9.327 1.072 1.00 0.00 N ATOM 889 CA GLU A 61 1.338 -9.531 0.829 1.00 0.00 C ATOM 890 C GLU A 61 1.837 -8.563 -0.246 1.00 0.00 C ATOM 891 O GLU A 61 1.084 -8.182 -1.141 1.00 0.00 O ATOM 892 CB GLU A 61 1.624 -10.982 0.436 1.00 0.00 C ATOM 893 CG GLU A 61 1.345 -11.931 1.602 1.00 0.00 C ATOM 894 CD GLU A 61 2.327 -13.105 1.601 1.00 0.00 C ATOM 895 OE1 GLU A 61 3.541 -12.829 1.483 1.00 0.00 O ATOM 896 OE2 GLU A 61 1.842 -14.251 1.719 1.00 0.00 O ATOM 0 H GLU A 61 -0.693 -9.675 0.335 1.00 0.00 H new ATOM 0 HA GLU A 61 1.878 -9.326 1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.007 -11.259 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.664 -11.080 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.423 -11.388 2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.324 -12.306 1.534 1.00 0.00 H new ATOM 903 N TYR A 62 3.104 -8.194 -0.122 1.00 0.00 N ATOM 904 CA TYR A 62 3.712 -7.277 -1.072 1.00 0.00 C ATOM 905 C TYR A 62 5.171 -7.653 -1.339 1.00 0.00 C ATOM 906 O TYR A 62 5.957 -7.806 -0.406 1.00 0.00 O ATOM 907 CB TYR A 62 3.665 -5.897 -0.415 1.00 0.00 C ATOM 908 CG TYR A 62 4.860 -5.599 0.494 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.085 -5.285 -0.058 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.712 -5.646 1.865 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.209 -5.005 0.798 1.00 0.00 C ATOM 912 CE2 TYR A 62 5.836 -5.367 2.721 1.00 0.00 C ATOM 913 CZ TYR A 62 7.029 -5.060 2.145 1.00 0.00 C ATOM 914 OH TYR A 62 8.091 -4.796 2.953 1.00 0.00 O ATOM 0 H TYR A 62 3.726 -8.513 0.621 1.00 0.00 H new ATOM 0 HA TYR A 62 3.183 -7.304 -2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.616 -5.136 -1.194 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.748 -5.815 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.201 -5.249 -1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.753 -5.892 2.296 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.173 -4.757 0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.734 -5.401 3.796 1.00 0.00 H new ATOM 0 HH TYR A 62 7.816 -4.871 3.890 1.00 0.00 H new ATOM 924 N GLU A 63 5.488 -7.792 -2.618 1.00 0.00 N ATOM 925 CA GLU A 63 6.839 -8.147 -3.020 1.00 0.00 C ATOM 926 C GLU A 63 7.837 -7.110 -2.499 1.00 0.00 C ATOM 927 O GLU A 63 7.732 -5.927 -2.819 1.00 0.00 O ATOM 928 CB GLU A 63 6.939 -8.289 -4.540 1.00 0.00 C ATOM 929 CG GLU A 63 6.546 -9.699 -4.985 1.00 0.00 C ATOM 930 CD GLU A 63 5.693 -9.656 -6.255 1.00 0.00 C ATOM 931 OE1 GLU A 63 4.951 -8.662 -6.406 1.00 0.00 O ATOM 932 OE2 GLU A 63 5.804 -10.617 -7.046 1.00 0.00 O ATOM 0 H GLU A 63 4.833 -7.665 -3.389 1.00 0.00 H new ATOM 0 HA GLU A 63 7.086 -9.114 -2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.289 -7.558 -5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.957 -8.072 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.444 -10.291 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.992 -10.195 -4.188 1.00 0.00 H new ATOM 939 N ASP A 64 8.782 -7.593 -1.706 1.00 0.00 N ATOM 940 CA ASP A 64 9.798 -6.723 -1.138 1.00 0.00 C ATOM 941 C ASP A 64 10.951 -6.575 -2.133 1.00 0.00 C ATOM 942 O ASP A 64 10.870 -7.063 -3.260 1.00 0.00 O ATOM 943 CB ASP A 64 10.364 -7.309 0.157 1.00 0.00 C ATOM 944 CG ASP A 64 10.821 -8.766 0.061 1.00 0.00 C ATOM 945 OD1 ASP A 64 9.934 -9.628 -0.121 1.00 0.00 O ATOM 946 OD2 ASP A 64 12.046 -8.985 0.173 1.00 0.00 O ATOM 0 H ASP A 64 8.866 -8.575 -1.443 1.00 0.00 H new ATOM 0 HA ASP A 64 9.336 -5.759 -0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.209 -6.699 0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.605 -7.232 0.935 1.00 0.00 H new ATOM 951 N GLU A 65 11.997 -5.899 -1.682 1.00 0.00 N ATOM 952 CA GLU A 65 13.165 -5.681 -2.519 1.00 0.00 C ATOM 953 C GLU A 65 13.805 -7.018 -2.896 1.00 0.00 C ATOM 954 O GLU A 65 14.483 -7.120 -3.917 1.00 0.00 O ATOM 955 CB GLU A 65 14.175 -4.766 -1.823 1.00 0.00 C ATOM 956 CG GLU A 65 14.602 -5.347 -0.474 1.00 0.00 C ATOM 957 CD GLU A 65 14.037 -4.520 0.683 1.00 0.00 C ATOM 958 OE1 GLU A 65 14.124 -3.277 0.587 1.00 0.00 O ATOM 959 OE2 GLU A 65 13.531 -5.150 1.637 1.00 0.00 O ATOM 0 H GLU A 65 12.060 -5.495 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 65 12.844 -5.184 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.050 -4.634 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.736 -3.779 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.256 -6.377 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.690 -5.370 -0.412 1.00 0.00 H new ATOM 966 N ASP A 66 13.568 -8.011 -2.051 1.00 0.00 N ATOM 967 CA ASP A 66 14.113 -9.337 -2.283 1.00 0.00 C ATOM 968 C ASP A 66 13.025 -10.234 -2.878 1.00 0.00 C ATOM 969 O ASP A 66 13.166 -11.456 -2.900 1.00 0.00 O ATOM 970 CB ASP A 66 14.588 -9.974 -0.976 1.00 0.00 C ATOM 971 CG ASP A 66 16.090 -10.255 -0.902 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.835 -9.290 -0.626 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.459 -11.429 -1.123 1.00 0.00 O ATOM 0 H ASP A 66 13.006 -7.923 -1.205 1.00 0.00 H new ATOM 0 HA ASP A 66 14.958 -9.239 -2.964 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.315 -9.318 -0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.051 -10.911 -0.830 1.00 0.00 H new ATOM 978 N GLY A 67 11.964 -9.593 -3.345 1.00 0.00 N ATOM 979 CA GLY A 67 10.853 -10.318 -3.938 1.00 0.00 C ATOM 980 C GLY A 67 10.593 -11.628 -3.192 1.00 0.00 C ATOM 981 O GLY A 67 10.694 -12.708 -3.773 1.00 0.00 O ATOM 0 H GLY A 67 11.850 -8.580 -3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.956 -9.698 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.069 -10.528 -4.985 1.00 0.00 H new ATOM 985 N ASP A 68 10.262 -11.491 -1.917 1.00 0.00 N ATOM 986 CA ASP A 68 9.986 -12.651 -1.086 1.00 0.00 C ATOM 987 C ASP A 68 8.543 -12.581 -0.583 1.00 0.00 C ATOM 988 O ASP A 68 8.114 -13.426 0.202 1.00 0.00 O ATOM 989 CB ASP A 68 10.911 -12.688 0.133 1.00 0.00 C ATOM 990 CG ASP A 68 11.264 -14.089 0.634 1.00 0.00 C ATOM 991 OD1 ASP A 68 11.488 -14.962 -0.231 1.00 0.00 O ATOM 992 OD2 ASP A 68 11.302 -14.256 1.873 1.00 0.00 O ATOM 0 H ASP A 68 10.179 -10.594 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 68 10.148 -13.544 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.834 -12.164 -0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.439 -12.136 0.946 1.00 0.00 H new ATOM 997 N ARG A 69 7.834 -11.567 -1.055 1.00 0.00 N ATOM 998 CA ARG A 69 6.448 -11.376 -0.663 1.00 0.00 C ATOM 999 C ARG A 69 6.334 -11.289 0.860 1.00 0.00 C ATOM 1000 O ARG A 69 6.435 -12.301 1.553 1.00 0.00 O ATOM 1001 CB ARG A 69 5.570 -12.523 -1.168 1.00 0.00 C ATOM 1002 CG ARG A 69 5.473 -12.507 -2.695 1.00 0.00 C ATOM 1003 CD ARG A 69 4.256 -11.704 -3.160 1.00 0.00 C ATOM 1004 NE ARG A 69 3.975 -11.990 -4.584 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.528 -13.168 -5.040 1.00 0.00 C ATOM 1006 NH1 ARG A 69 3.308 -14.177 -4.186 1.00 0.00 N ATOM 1007 NH2 ARG A 69 3.300 -13.337 -6.350 1.00 0.00 N ATOM 0 H ARG A 69 8.193 -10.868 -1.706 1.00 0.00 H new ATOM 0 HA ARG A 69 6.102 -10.444 -1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.983 -13.475 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.573 -12.440 -0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.381 -12.074 -3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.403 -13.528 -3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.388 -11.958 -2.551 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.440 -10.638 -3.024 1.00 0.00 H new ATOM 0 HE ARG A 69 4.131 -11.244 -5.261 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.481 -14.048 -3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.968 -15.074 -4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.467 -12.569 -7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.960 -14.234 -6.697 1.00 0.00 H new ATOM 1021 N ILE A 70 6.126 -10.071 1.338 1.00 0.00 N ATOM 1022 CA ILE A 70 5.998 -9.839 2.766 1.00 0.00 C ATOM 1023 C ILE A 70 4.542 -10.057 3.186 1.00 0.00 C ATOM 1024 O ILE A 70 3.681 -10.306 2.344 1.00 0.00 O ATOM 1025 CB ILE A 70 6.544 -8.458 3.136 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.776 -8.113 2.297 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.827 -8.365 4.637 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.877 -9.158 2.485 1.00 0.00 C ATOM 0 H ILE A 70 6.043 -9.234 0.761 1.00 0.00 H new ATOM 0 HA ILE A 70 6.602 -10.555 3.323 1.00 0.00 H new ATOM 0 HB ILE A 70 5.780 -7.715 2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.499 -8.056 1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.150 -7.130 2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.214 -7.374 4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.905 -8.537 5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.564 -9.118 4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.741 -8.889 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.168 -9.195 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.507 -10.136 2.177 1.00 0.00 H new ATOM 1040 N THR A 71 4.313 -9.957 4.487 1.00 0.00 N ATOM 1041 CA THR A 71 2.977 -10.140 5.028 1.00 0.00 C ATOM 1042 C THR A 71 2.650 -9.030 6.028 1.00 0.00 C ATOM 1043 O THR A 71 3.273 -8.938 7.085 1.00 0.00 O ATOM 1044 CB THR A 71 2.900 -11.544 5.631 1.00 0.00 C ATOM 1045 OG1 THR A 71 3.288 -12.403 4.563 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.465 -11.967 5.948 1.00 0.00 C ATOM 0 H THR A 71 5.030 -9.752 5.182 1.00 0.00 H new ATOM 0 HA THR A 71 2.220 -10.064 4.248 1.00 0.00 H new ATOM 0 HB THR A 71 3.498 -11.581 6.541 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.267 -13.334 4.868 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.467 -12.971 6.373 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.030 -11.270 6.664 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.874 -11.962 5.032 1.00 0.00 H new ATOM 1054 N VAL A 72 1.673 -8.214 5.659 1.00 0.00 N ATOM 1055 CA VAL A 72 1.256 -7.113 6.511 1.00 0.00 C ATOM 1056 C VAL A 72 0.074 -7.561 7.373 1.00 0.00 C ATOM 1057 O VAL A 72 -1.076 -7.487 6.942 1.00 0.00 O ATOM 1058 CB VAL A 72 0.942 -5.882 5.659 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.482 -4.713 6.533 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.147 -5.486 4.803 1.00 0.00 C ATOM 0 H VAL A 72 1.158 -8.293 4.782 1.00 0.00 H new ATOM 0 HA VAL A 72 2.062 -6.827 7.187 1.00 0.00 H new ATOM 0 HB VAL A 72 0.124 -6.140 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.265 -3.851 5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.417 -4.999 7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.270 -4.456 7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.897 -4.608 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.993 -5.256 5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.410 -6.311 4.141 1.00 0.00 H new ATOM 1070 N ARG A 73 0.397 -8.016 8.574 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.624 -8.476 9.500 1.00 0.00 C ATOM 1072 C ARG A 73 -0.844 -7.440 10.605 1.00 0.00 C ATOM 1073 O ARG A 73 -1.570 -7.695 11.564 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.231 -9.812 10.134 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.368 -10.957 9.129 1.00 0.00 C ATOM 1076 CD ARG A 73 0.394 -12.196 9.603 1.00 0.00 C ATOM 1077 NE ARG A 73 1.851 -11.935 9.582 1.00 0.00 N ATOM 1078 CZ ARG A 73 2.758 -12.680 10.227 1.00 0.00 C ATOM 1079 NH1 ARG A 73 2.364 -13.738 10.950 1.00 0.00 N ATOM 1080 NH2 ARG A 73 4.058 -12.367 10.151 1.00 0.00 N ATOM 0 H ARG A 73 1.352 -8.076 8.928 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.547 -8.612 8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.797 -9.760 10.493 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.862 -10.007 11.001 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.421 -11.203 8.994 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.013 -10.641 8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.079 -12.463 10.612 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.159 -13.045 8.961 1.00 0.00 H new ATOM 0 HE ARG A 73 2.185 -11.137 9.042 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.374 -13.975 11.009 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.055 -14.306 11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.357 -11.561 9.602 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.749 -12.934 10.642 1.00 0.00 H new ATOM 1094 N SER A 74 -0.204 -6.293 10.432 1.00 0.00 N ATOM 1095 CA SER A 74 -0.321 -5.218 11.402 1.00 0.00 C ATOM 1096 C SER A 74 0.276 -3.930 10.831 1.00 0.00 C ATOM 1097 O SER A 74 0.921 -3.952 9.784 1.00 0.00 O ATOM 1098 CB SER A 74 0.370 -5.585 12.717 1.00 0.00 C ATOM 1099 OG SER A 74 -0.568 -5.832 13.762 1.00 0.00 O ATOM 0 H SER A 74 0.397 -6.085 9.635 1.00 0.00 H new ATOM 0 HA SER A 74 -1.379 -5.060 11.610 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.988 -6.471 12.567 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.038 -4.777 13.013 1.00 0.00 H new ATOM 0 HG SER A 74 -1.213 -6.509 13.469 1.00 0.00 H new ATOM 1105 N ASP A 75 0.040 -2.839 11.544 1.00 0.00 N ATOM 1106 CA ASP A 75 0.547 -1.544 11.121 1.00 0.00 C ATOM 1107 C ASP A 75 2.071 -1.609 11.011 1.00 0.00 C ATOM 1108 O ASP A 75 2.656 -1.035 10.093 1.00 0.00 O ATOM 1109 CB ASP A 75 0.192 -0.456 12.136 1.00 0.00 C ATOM 1110 CG ASP A 75 0.684 0.948 11.777 1.00 0.00 C ATOM 1111 OD1 ASP A 75 0.800 1.215 10.561 1.00 0.00 O ATOM 1112 OD2 ASP A 75 0.933 1.722 12.726 1.00 0.00 O ATOM 0 H ASP A 75 -0.496 -2.825 12.412 1.00 0.00 H new ATOM 0 HA ASP A 75 0.094 -1.302 10.159 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.892 -0.427 12.251 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.608 -0.734 13.104 1.00 0.00 H new ATOM 1117 N GLU A 76 2.672 -2.313 11.959 1.00 0.00 N ATOM 1118 CA GLU A 76 4.117 -2.461 11.980 1.00 0.00 C ATOM 1119 C GLU A 76 4.636 -2.806 10.582 1.00 0.00 C ATOM 1120 O GLU A 76 5.509 -2.120 10.053 1.00 0.00 O ATOM 1121 CB GLU A 76 4.546 -3.516 13.000 1.00 0.00 C ATOM 1122 CG GLU A 76 5.601 -2.958 13.957 1.00 0.00 C ATOM 1123 CD GLU A 76 5.312 -3.378 15.399 1.00 0.00 C ATOM 1124 OE1 GLU A 76 4.111 -3.476 15.732 1.00 0.00 O ATOM 1125 OE2 GLU A 76 6.298 -3.594 16.137 1.00 0.00 O ATOM 0 H GLU A 76 2.184 -2.787 12.719 1.00 0.00 H new ATOM 0 HA GLU A 76 4.555 -1.511 12.285 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.678 -3.853 13.567 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.946 -4.387 12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.588 -3.313 13.662 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.620 -1.870 13.888 1.00 0.00 H new ATOM 1132 N GLU A 77 4.076 -3.870 10.025 1.00 0.00 N ATOM 1133 CA GLU A 77 4.471 -4.315 8.699 1.00 0.00 C ATOM 1134 C GLU A 77 4.149 -3.239 7.660 1.00 0.00 C ATOM 1135 O GLU A 77 4.958 -2.963 6.776 1.00 0.00 O ATOM 1136 CB GLU A 77 3.797 -5.641 8.343 1.00 0.00 C ATOM 1137 CG GLU A 77 4.511 -6.817 9.012 1.00 0.00 C ATOM 1138 CD GLU A 77 3.547 -7.616 9.891 1.00 0.00 C ATOM 1139 OE1 GLU A 77 3.181 -7.084 10.961 1.00 0.00 O ATOM 1140 OE2 GLU A 77 3.198 -8.741 9.473 1.00 0.00 O ATOM 0 H GLU A 77 3.352 -4.437 10.467 1.00 0.00 H new ATOM 0 HA GLU A 77 5.548 -4.481 8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.754 -5.618 8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.801 -5.776 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.939 -7.468 8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.339 -6.448 9.617 1.00 0.00 H new ATOM 1147 N MET A 78 2.965 -2.662 7.801 1.00 0.00 N ATOM 1148 CA MET A 78 2.525 -1.622 6.886 1.00 0.00 C ATOM 1149 C MET A 78 3.614 -0.564 6.694 1.00 0.00 C ATOM 1150 O MET A 78 4.184 -0.445 5.611 1.00 0.00 O ATOM 1151 CB MET A 78 1.260 -0.960 7.435 1.00 0.00 C ATOM 1152 CG MET A 78 0.113 -1.049 6.427 1.00 0.00 C ATOM 1153 SD MET A 78 0.037 0.446 5.454 1.00 0.00 S ATOM 1154 CE MET A 78 -0.805 1.521 6.603 1.00 0.00 C ATOM 0 H MET A 78 2.296 -2.895 8.535 1.00 0.00 H new ATOM 0 HA MET A 78 2.315 -2.080 5.919 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.968 -1.443 8.367 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.464 0.085 7.668 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.257 -1.910 5.775 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.831 -1.200 6.950 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.800 1.751 6.223 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.891 1.024 7.569 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.238 2.445 6.719 1.00 0.00 H new ATOM 1164 N LYS A 79 3.869 0.177 7.762 1.00 0.00 N ATOM 1165 CA LYS A 79 4.879 1.221 7.725 1.00 0.00 C ATOM 1166 C LYS A 79 6.131 0.688 7.025 1.00 0.00 C ATOM 1167 O LYS A 79 6.772 1.408 6.260 1.00 0.00 O ATOM 1168 CB LYS A 79 5.144 1.760 9.132 1.00 0.00 C ATOM 1169 CG LYS A 79 4.378 3.062 9.373 1.00 0.00 C ATOM 1170 CD LYS A 79 3.599 3.005 10.689 1.00 0.00 C ATOM 1171 CE LYS A 79 4.414 3.606 11.836 1.00 0.00 C ATOM 1172 NZ LYS A 79 3.562 4.475 12.678 1.00 0.00 N ATOM 0 H LYS A 79 3.394 0.075 8.659 1.00 0.00 H new ATOM 0 HA LYS A 79 4.526 2.073 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.847 1.017 9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.212 1.932 9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.075 3.899 9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.690 3.242 8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.659 3.547 10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.346 1.971 10.921 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.842 2.808 12.443 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.247 4.183 11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.131 4.875 13.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.174 5.247 12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.781 3.915 13.076 1.00 0.00 H new ATOM 1186 N ALA A 80 6.441 -0.568 7.311 1.00 0.00 N ATOM 1187 CA ALA A 80 7.605 -1.204 6.718 1.00 0.00 C ATOM 1188 C ALA A 80 7.418 -1.287 5.201 1.00 0.00 C ATOM 1189 O ALA A 80 8.254 -0.800 4.442 1.00 0.00 O ATOM 1190 CB ALA A 80 7.815 -2.579 7.355 1.00 0.00 C ATOM 0 H ALA A 80 5.907 -1.162 7.945 1.00 0.00 H new ATOM 0 HA ALA A 80 8.503 -0.616 6.908 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.688 -3.056 6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.972 -2.463 8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.935 -3.199 7.182 1.00 0.00 H new ATOM 1196 N MET A 81 6.317 -1.908 4.806 1.00 0.00 N ATOM 1197 CA MET A 81 6.010 -2.060 3.394 1.00 0.00 C ATOM 1198 C MET A 81 6.118 -0.721 2.661 1.00 0.00 C ATOM 1199 O MET A 81 6.601 -0.665 1.532 1.00 0.00 O ATOM 1200 CB MET A 81 4.593 -2.616 3.236 1.00 0.00 C ATOM 1201 CG MET A 81 4.169 -2.627 1.766 1.00 0.00 C ATOM 1202 SD MET A 81 2.469 -3.152 1.625 1.00 0.00 S ATOM 1203 CE MET A 81 1.639 -1.649 2.114 1.00 0.00 C ATOM 0 H MET A 81 5.626 -2.312 5.439 1.00 0.00 H new ATOM 0 HA MET A 81 6.732 -2.751 2.957 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.549 -3.628 3.639 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.895 -2.012 3.815 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.288 -1.632 1.337 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.814 -3.298 1.198 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.128 -1.808 3.064 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.371 -0.849 2.225 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.911 -1.371 1.352 1.00 0.00 H new ATOM 1213 N LEU A 82 5.659 0.324 3.334 1.00 0.00 N ATOM 1214 CA LEU A 82 5.698 1.659 2.762 1.00 0.00 C ATOM 1215 C LEU A 82 7.133 2.186 2.807 1.00 0.00 C ATOM 1216 O LEU A 82 7.600 2.808 1.854 1.00 0.00 O ATOM 1217 CB LEU A 82 4.685 2.570 3.458 1.00 0.00 C ATOM 1218 CG LEU A 82 3.213 2.304 3.138 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.323 2.636 4.337 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.781 3.056 1.878 1.00 0.00 C ATOM 0 H LEU A 82 5.258 0.273 4.270 1.00 0.00 H new ATOM 0 HA LEU A 82 5.400 1.634 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.824 2.479 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.913 3.603 3.193 1.00 0.00 H new ATOM 0 HG LEU A 82 3.095 1.240 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.282 2.438 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.613 2.019 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.440 3.688 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.731 2.849 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.918 4.127 2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.387 2.728 1.033 1.00 0.00 H new ATOM 1232 N SER A 83 7.794 1.919 3.924 1.00 0.00 N ATOM 1233 CA SER A 83 9.166 2.360 4.106 1.00 0.00 C ATOM 1234 C SER A 83 10.038 1.842 2.960 1.00 0.00 C ATOM 1235 O SER A 83 10.964 2.523 2.524 1.00 0.00 O ATOM 1236 CB SER A 83 9.722 1.888 5.451 1.00 0.00 C ATOM 1237 OG SER A 83 10.182 2.975 6.250 1.00 0.00 O ATOM 0 H SER A 83 7.404 1.402 4.712 1.00 0.00 H new ATOM 0 HA SER A 83 9.179 3.450 4.100 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.948 1.343 5.992 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.543 1.191 5.280 1.00 0.00 H new ATOM 0 HG SER A 83 10.528 2.632 7.101 1.00 0.00 H new ATOM 1243 N TYR A 84 9.711 0.641 2.506 1.00 0.00 N ATOM 1244 CA TYR A 84 10.453 0.024 1.420 1.00 0.00 C ATOM 1245 C TYR A 84 10.068 0.640 0.074 1.00 0.00 C ATOM 1246 O TYR A 84 10.885 1.301 -0.567 1.00 0.00 O ATOM 1247 CB TYR A 84 10.055 -1.453 1.423 1.00 0.00 C ATOM 1248 CG TYR A 84 9.981 -2.081 0.030 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.099 -2.098 -0.779 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.797 -2.630 -0.418 1.00 0.00 C ATOM 1251 CE1 TYR A 84 11.030 -2.689 -2.091 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.727 -3.220 -1.730 1.00 0.00 C ATOM 1253 CZ TYR A 84 9.847 -3.221 -2.501 1.00 0.00 C ATOM 1254 OH TYR A 84 9.782 -3.779 -3.740 1.00 0.00 O ATOM 0 H TYR A 84 8.942 0.079 2.871 1.00 0.00 H new ATOM 0 HA TYR A 84 11.525 0.169 1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.773 -2.011 2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.085 -1.556 1.909 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.026 -1.668 -0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.922 -2.617 0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.897 -2.709 -2.734 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.806 -3.652 -2.093 1.00 0.00 H new ATOM 0 HH TYR A 84 9.178 -4.551 -3.720 1.00 0.00 H new ATOM 1264 N TYR A 85 8.824 0.403 -0.316 1.00 0.00 N ATOM 1265 CA TYR A 85 8.321 0.927 -1.574 1.00 0.00 C ATOM 1266 C TYR A 85 8.902 2.313 -1.862 1.00 0.00 C ATOM 1267 O TYR A 85 9.349 2.583 -2.976 1.00 0.00 O ATOM 1268 CB TYR A 85 6.805 1.047 -1.405 1.00 0.00 C ATOM 1269 CG TYR A 85 6.069 1.473 -2.677 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.940 0.589 -3.729 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.534 2.742 -2.772 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.247 0.990 -4.926 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.842 3.143 -3.969 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.732 2.248 -4.987 1.00 0.00 C ATOM 1275 OH TYR A 85 4.078 2.626 -6.117 1.00 0.00 O ATOM 0 H TYR A 85 8.149 -0.145 0.218 1.00 0.00 H new ATOM 0 HA TYR A 85 8.599 0.273 -2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.410 0.087 -1.073 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.594 1.769 -0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.359 -0.404 -3.655 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.635 3.434 -1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.139 0.308 -5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.419 4.133 -4.057 1.00 0.00 H new ATOM 0 HH TYR A 85 4.667 2.508 -6.891 1.00 0.00 H new ATOM 1285 N TYR A 86 8.876 3.154 -0.839 1.00 0.00 N ATOM 1286 CA TYR A 86 9.395 4.506 -0.969 1.00 0.00 C ATOM 1287 C TYR A 86 10.924 4.503 -1.029 1.00 0.00 C ATOM 1288 O TYR A 86 11.517 5.194 -1.855 1.00 0.00 O ATOM 1289 CB TYR A 86 8.947 5.251 0.290 1.00 0.00 C ATOM 1290 CG TYR A 86 7.429 5.380 0.430 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.635 5.445 -0.697 1.00 0.00 C ATOM 1292 CD2 TYR A 86 6.853 5.431 1.683 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.206 5.566 -0.565 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.424 5.552 1.815 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.671 5.614 0.684 1.00 0.00 C ATOM 1296 OH TYR A 86 3.322 5.728 0.809 1.00 0.00 O ATOM 0 H TYR A 86 8.504 2.926 0.083 1.00 0.00 H new ATOM 0 HA TYR A 86 9.029 4.972 -1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.340 4.733 1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.387 6.248 0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.085 5.405 -1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.474 5.380 2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.573 5.617 -1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.961 5.593 2.790 1.00 0.00 H new ATOM 0 HH TYR A 86 2.894 5.492 -0.040 1.00 0.00 H new ATOM 1306 N SER A 87 11.517 3.718 -0.142 1.00 0.00 N ATOM 1307 CA SER A 87 12.966 3.616 -0.084 1.00 0.00 C ATOM 1308 C SER A 87 13.513 3.160 -1.437 1.00 0.00 C ATOM 1309 O SER A 87 14.641 3.492 -1.799 1.00 0.00 O ATOM 1310 CB SER A 87 13.406 2.652 1.020 1.00 0.00 C ATOM 1311 OG SER A 87 14.821 2.490 1.053 1.00 0.00 O ATOM 0 H SER A 87 11.021 3.147 0.542 1.00 0.00 H new ATOM 0 HA SER A 87 13.370 4.601 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.061 3.024 1.985 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.933 1.682 0.864 1.00 0.00 H new ATOM 0 HG SER A 87 15.062 1.869 1.772 1.00 0.00 H new ATOM 1317 N THR A 88 12.689 2.406 -2.149 1.00 0.00 N ATOM 1318 CA THR A 88 13.076 1.900 -3.455 1.00 0.00 C ATOM 1319 C THR A 88 12.546 2.816 -4.560 1.00 0.00 C ATOM 1320 O THR A 88 13.257 3.114 -5.519 1.00 0.00 O ATOM 1321 CB THR A 88 12.579 0.458 -3.571 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.613 -0.209 -4.288 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.354 0.332 -4.479 1.00 0.00 C ATOM 0 H THR A 88 11.754 2.133 -1.846 1.00 0.00 H new ATOM 0 HA THR A 88 14.160 1.895 -3.571 1.00 0.00 H new ATOM 0 HB THR A 88 12.336 0.077 -2.579 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.373 -1.152 -4.407 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.042 -0.711 -4.527 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.540 0.936 -4.078 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.606 0.681 -5.480 1.00 0.00 H new ATOM 1331 N VAL A 89 11.301 3.236 -4.390 1.00 0.00 N ATOM 1332 CA VAL A 89 10.667 4.112 -5.361 1.00 0.00 C ATOM 1333 C VAL A 89 11.548 5.343 -5.582 1.00 0.00 C ATOM 1334 O VAL A 89 11.804 5.731 -6.721 1.00 0.00 O ATOM 1335 CB VAL A 89 9.251 4.465 -4.901 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.786 5.784 -5.521 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.272 3.333 -5.223 1.00 0.00 C ATOM 0 H VAL A 89 10.714 2.986 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 89 10.566 3.608 -6.322 1.00 0.00 H new ATOM 0 HB VAL A 89 9.272 4.593 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.777 6.012 -5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.461 6.585 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.789 5.696 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.273 3.609 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.257 3.160 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.588 2.423 -4.714 1.00 0.00 H new ATOM 1347 N MET A 90 11.987 5.924 -4.475 1.00 0.00 N ATOM 1348 CA MET A 90 12.834 7.103 -4.534 1.00 0.00 C ATOM 1349 C MET A 90 14.127 6.812 -5.298 1.00 0.00 C ATOM 1350 O MET A 90 14.748 7.723 -5.844 1.00 0.00 O ATOM 1351 CB MET A 90 13.171 7.561 -3.113 1.00 0.00 C ATOM 1352 CG MET A 90 14.353 6.770 -2.549 1.00 0.00 C ATOM 1353 SD MET A 90 15.887 7.571 -2.983 1.00 0.00 S ATOM 1354 CE MET A 90 16.922 7.005 -1.643 1.00 0.00 C ATOM 0 H MET A 90 11.772 5.600 -3.532 1.00 0.00 H new ATOM 0 HA MET A 90 12.294 7.890 -5.060 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.409 8.625 -3.117 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.301 7.431 -2.469 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.267 6.695 -1.465 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.341 5.753 -2.941 1.00 0.00 H new ATOM 0 HE1 MET A 90 17.967 7.201 -1.883 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.654 7.533 -0.728 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.778 5.934 -1.499 1.00 0.00 H new ATOM 1364 N GLU A 91 14.495 5.539 -5.312 1.00 0.00 N ATOM 1365 CA GLU A 91 15.703 5.117 -5.999 1.00 0.00 C ATOM 1366 C GLU A 91 15.438 4.975 -7.499 1.00 0.00 C ATOM 1367 O GLU A 91 16.336 5.182 -8.315 1.00 0.00 O ATOM 1368 CB GLU A 91 16.240 3.811 -5.412 1.00 0.00 C ATOM 1369 CG GLU A 91 17.094 4.078 -4.170 1.00 0.00 C ATOM 1370 CD GLU A 91 18.508 4.513 -4.561 1.00 0.00 C ATOM 1371 OE1 GLU A 91 19.264 3.632 -5.025 1.00 0.00 O ATOM 1372 OE2 GLU A 91 18.800 5.715 -4.385 1.00 0.00 O ATOM 0 H GLU A 91 13.977 4.786 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 91 16.466 5.882 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.408 3.156 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.835 3.289 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.626 4.852 -3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.143 3.178 -3.557 1.00 0.00 H new ATOM 1379 N GLN A 92 14.201 4.624 -7.819 1.00 0.00 N ATOM 1380 CA GLN A 92 13.806 4.452 -9.207 1.00 0.00 C ATOM 1381 C GLN A 92 13.716 5.810 -9.905 1.00 0.00 C ATOM 1382 O GLN A 92 13.758 5.886 -11.132 1.00 0.00 O ATOM 1383 CB GLN A 92 12.481 3.694 -9.310 1.00 0.00 C ATOM 1384 CG GLN A 92 12.684 2.198 -9.059 1.00 0.00 C ATOM 1385 CD GLN A 92 11.868 1.361 -10.045 1.00 0.00 C ATOM 1386 OE1 GLN A 92 12.330 0.979 -11.107 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.630 1.097 -9.635 1.00 0.00 N ATOM 0 H GLN A 92 13.459 4.454 -7.140 1.00 0.00 H new ATOM 0 HA GLN A 92 14.568 3.856 -9.710 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.771 4.095 -8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.047 3.845 -10.299 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.741 1.950 -9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.390 1.954 -8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.306 1.447 -8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.005 0.544 -10.222 1.00 0.00 H new ATOM 1396 N GLN A 93 13.594 6.850 -9.093 1.00 0.00 N ATOM 1397 CA GLN A 93 13.498 8.202 -9.618 1.00 0.00 C ATOM 1398 C GLN A 93 14.892 8.818 -9.756 1.00 0.00 C ATOM 1399 O GLN A 93 15.217 9.401 -10.789 1.00 0.00 O ATOM 1400 CB GLN A 93 12.600 9.071 -8.734 1.00 0.00 C ATOM 1401 CG GLN A 93 11.219 8.435 -8.564 1.00 0.00 C ATOM 1402 CD GLN A 93 10.117 9.496 -8.613 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.180 10.459 -9.359 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.108 9.266 -7.777 1.00 0.00 N ATOM 0 H GLN A 93 13.559 6.784 -8.076 1.00 0.00 H new ATOM 0 HA GLN A 93 13.043 8.155 -10.607 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.065 9.206 -7.758 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.496 10.062 -9.177 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.055 7.698 -9.350 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.174 7.903 -7.614 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.119 8.439 -7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.323 9.916 -7.733 1.00 0.00 H new ATOM 1413 N VAL A 94 15.678 8.668 -8.700 1.00 0.00 N ATOM 1414 CA VAL A 94 17.029 9.202 -8.691 1.00 0.00 C ATOM 1415 C VAL A 94 17.854 8.509 -9.777 1.00 0.00 C ATOM 1416 O VAL A 94 18.824 9.075 -10.280 1.00 0.00 O ATOM 1417 CB VAL A 94 17.639 9.059 -7.295 1.00 0.00 C ATOM 1418 CG1 VAL A 94 16.691 9.602 -6.224 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.015 7.604 -7.007 1.00 0.00 C ATOM 0 H VAL A 94 15.405 8.184 -7.845 1.00 0.00 H new ATOM 0 HA VAL A 94 17.020 10.268 -8.920 1.00 0.00 H new ATOM 0 HB VAL A 94 18.552 9.653 -7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.149 9.488 -5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.495 10.657 -6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.753 9.048 -6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.446 7.530 -6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.123 6.980 -7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.744 7.264 -7.743 1.00 0.00 H new ATOM 1429 N ASN A 95 17.439 7.295 -10.107 1.00 0.00 N ATOM 1430 CA ASN A 95 18.128 6.520 -11.125 1.00 0.00 C ATOM 1431 C ASN A 95 17.687 6.999 -12.510 1.00 0.00 C ATOM 1432 O ASN A 95 18.519 7.377 -13.333 1.00 0.00 O ATOM 1433 CB ASN A 95 17.787 5.033 -11.009 1.00 0.00 C ATOM 1434 CG ASN A 95 18.813 4.302 -10.140 1.00 0.00 C ATOM 1435 OD1 ASN A 95 19.091 4.920 -8.996 1.00 0.00 O flip ATOM 1436 ND2 ASN A 95 19.318 3.247 -10.486 1.00 0.00 N flip ATOM 0 H ASN A 95 16.634 6.829 -9.688 1.00 0.00 H new ATOM 0 HA ASN A 95 19.200 6.657 -10.985 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.792 4.917 -10.579 1.00 0.00 H new ATOM 0 HB3 ASN A 95 17.760 4.584 -12.002 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.059 2.826 -11.378 1.00 0.00 H new ATOM 0 HD22 ASN A 95 19.999 2.785 -9.883 1.00 0.00 H new ATOM 1443 N GLY A 96 16.380 6.966 -12.724 1.00 0.00 N ATOM 1444 CA GLY A 96 15.819 7.392 -13.995 1.00 0.00 C ATOM 1445 C GLY A 96 14.930 6.301 -14.595 1.00 0.00 C ATOM 1446 O GLY A 96 15.022 6.007 -15.786 1.00 0.00 O ATOM 0 H GLY A 96 15.693 6.651 -12.039 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.237 8.303 -13.853 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.624 7.633 -14.689 1.00 0.00 H new ATOM 1450 N GLN A 97 14.091 5.731 -13.744 1.00 0.00 N ATOM 1451 CA GLN A 97 13.187 4.678 -14.175 1.00 0.00 C ATOM 1452 C GLN A 97 11.774 4.944 -13.651 1.00 0.00 C ATOM 1453 O GLN A 97 11.604 5.562 -12.601 1.00 0.00 O ATOM 1454 CB GLN A 97 13.690 3.305 -13.726 1.00 0.00 C ATOM 1455 CG GLN A 97 14.843 2.827 -14.610 1.00 0.00 C ATOM 1456 CD GLN A 97 14.692 1.344 -14.955 1.00 0.00 C ATOM 1457 OE1 GLN A 97 14.322 0.972 -16.056 1.00 0.00 O ATOM 1458 NE2 GLN A 97 14.997 0.522 -13.955 1.00 0.00 N ATOM 0 H GLN A 97 14.018 5.978 -12.757 1.00 0.00 H new ATOM 0 HA GLN A 97 13.155 4.677 -15.265 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.020 3.356 -12.688 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.874 2.584 -13.766 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.871 3.416 -15.527 1.00 0.00 H new ATOM 0 HG3 GLN A 97 15.791 2.990 -14.097 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.301 0.901 -13.058 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.927 -0.487 -14.085 1.00 0.00 H new ATOM 1467 N LEU A 98 10.797 4.464 -14.406 1.00 0.00 N ATOM 1468 CA LEU A 98 9.405 4.641 -14.030 1.00 0.00 C ATOM 1469 C LEU A 98 9.152 3.954 -12.687 1.00 0.00 C ATOM 1470 O LEU A 98 9.827 2.984 -12.345 1.00 0.00 O ATOM 1471 CB LEU A 98 8.482 4.160 -15.151 1.00 0.00 C ATOM 1472 CG LEU A 98 7.931 2.740 -15.003 1.00 0.00 C ATOM 1473 CD1 LEU A 98 6.788 2.698 -13.988 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.514 2.169 -16.360 1.00 0.00 C ATOM 0 H LEU A 98 10.942 3.953 -15.277 1.00 0.00 H new ATOM 0 HA LEU A 98 9.179 5.699 -13.894 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.641 4.849 -15.223 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.026 4.221 -16.094 1.00 0.00 H new ATOM 0 HG LEU A 98 8.727 2.104 -14.617 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.415 1.677 -13.902 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.151 3.034 -13.017 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.982 3.352 -14.320 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.126 1.159 -16.226 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.740 2.800 -16.798 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.378 2.141 -17.024 1.00 0.00 H new ATOM 1486 N ILE A 99 8.178 4.483 -11.961 1.00 0.00 N ATOM 1487 CA ILE A 99 7.827 3.933 -10.663 1.00 0.00 C ATOM 1488 C ILE A 99 6.700 2.912 -10.834 1.00 0.00 C ATOM 1489 O ILE A 99 5.790 3.116 -11.636 1.00 0.00 O ATOM 1490 CB ILE A 99 7.496 5.055 -9.677 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.604 6.110 -9.655 1.00 0.00 C ATOM 1492 CG2 ILE A 99 7.212 4.493 -8.283 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.864 5.568 -8.978 1.00 0.00 C ATOM 0 H ILE A 99 7.620 5.288 -12.248 1.00 0.00 H new ATOM 0 HA ILE A 99 8.676 3.402 -10.232 1.00 0.00 H new ATOM 0 HB ILE A 99 6.586 5.551 -10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.838 6.418 -10.674 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.256 6.997 -9.126 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.980 5.311 -7.601 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.364 3.810 -8.332 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.090 3.957 -7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.636 6.338 -8.976 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.632 5.284 -7.952 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.223 4.695 -9.524 1.00 0.00 H new ATOM 1505 N GLU A 100 6.799 1.835 -10.069 1.00 0.00 N ATOM 1506 CA GLU A 100 5.800 0.782 -10.125 1.00 0.00 C ATOM 1507 C GLU A 100 4.822 0.915 -8.956 1.00 0.00 C ATOM 1508 O GLU A 100 5.179 1.431 -7.899 1.00 0.00 O ATOM 1509 CB GLU A 100 6.458 -0.599 -10.136 1.00 0.00 C ATOM 1510 CG GLU A 100 7.334 -0.779 -11.377 1.00 0.00 C ATOM 1511 CD GLU A 100 6.496 -1.211 -12.582 1.00 0.00 C ATOM 1512 OE1 GLU A 100 5.849 -0.320 -13.171 1.00 0.00 O ATOM 1513 OE2 GLU A 100 6.522 -2.424 -12.886 1.00 0.00 O ATOM 0 H GLU A 100 7.557 1.669 -9.406 1.00 0.00 H new ATOM 0 HA GLU A 100 5.241 0.888 -11.055 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.063 -0.725 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.690 -1.372 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.847 0.156 -11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.103 -1.525 -11.178 1.00 0.00 H new ATOM 1520 N PRO A 101 3.574 0.426 -9.192 1.00 0.00 N ATOM 1521 CA PRO A 101 2.542 0.485 -8.170 1.00 0.00 C ATOM 1522 C PRO A 101 2.786 -0.564 -7.084 1.00 0.00 C ATOM 1523 O PRO A 101 3.214 -1.679 -7.378 1.00 0.00 O ATOM 1524 CB PRO A 101 1.236 0.274 -8.919 1.00 0.00 C ATOM 1525 CG PRO A 101 1.615 -0.355 -10.249 1.00 0.00 C ATOM 1526 CD PRO A 101 3.115 -0.192 -10.432 1.00 0.00 C ATOM 0 HA PRO A 101 2.531 1.435 -7.636 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.564 -0.375 -8.357 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.715 1.219 -9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.341 -1.410 -10.264 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.076 0.126 -11.066 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.600 -1.154 -10.599 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.343 0.434 -11.295 1.00 0.00 H new ATOM 1534 N LEU A 102 2.501 -0.170 -5.851 1.00 0.00 N ATOM 1535 CA LEU A 102 2.684 -1.063 -4.720 1.00 0.00 C ATOM 1536 C LEU A 102 1.780 -2.286 -4.890 1.00 0.00 C ATOM 1537 O LEU A 102 0.703 -2.353 -4.300 1.00 0.00 O ATOM 1538 CB LEU A 102 2.463 -0.313 -3.405 1.00 0.00 C ATOM 1539 CG LEU A 102 2.686 -1.122 -2.125 1.00 0.00 C ATOM 1540 CD1 LEU A 102 4.001 -1.900 -2.191 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.613 -0.224 -0.889 1.00 0.00 C ATOM 0 H LEU A 102 2.145 0.755 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 102 3.711 -1.428 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.128 0.550 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.443 0.071 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 102 1.883 -1.854 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.135 -2.466 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.976 -2.586 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.830 -1.203 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.775 -0.824 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.381 0.547 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.631 0.246 -0.838 1.00 0.00 H new ATOM 1553 N GLN A 103 2.253 -3.223 -5.699 1.00 0.00 N ATOM 1554 CA GLN A 103 1.501 -4.440 -5.953 1.00 0.00 C ATOM 1555 C GLN A 103 1.244 -5.189 -4.644 1.00 0.00 C ATOM 1556 O GLN A 103 2.180 -5.661 -4.001 1.00 0.00 O ATOM 1557 CB GLN A 103 2.227 -5.332 -6.962 1.00 0.00 C ATOM 1558 CG GLN A 103 1.376 -6.549 -7.330 1.00 0.00 C ATOM 1559 CD GLN A 103 2.159 -7.516 -8.221 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.030 -8.245 -7.775 1.00 0.00 O ATOM 1561 NE2 GLN A 103 1.801 -7.482 -9.502 1.00 0.00 N ATOM 0 H GLN A 103 3.147 -3.164 -6.187 1.00 0.00 H new ATOM 0 HA GLN A 103 0.539 -4.166 -6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.456 -4.759 -7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.178 -5.662 -6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.057 -7.062 -6.423 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.473 -6.223 -7.846 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.064 -6.848 -9.809 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.264 -8.090 -10.177 1.00 0.00 H new ATOM 1570 N ILE A 104 -0.030 -5.274 -4.289 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.422 -5.958 -3.068 1.00 0.00 C ATOM 1572 C ILE A 104 -1.452 -7.039 -3.402 1.00 0.00 C ATOM 1573 O ILE A 104 -2.151 -6.945 -4.410 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.905 -4.952 -2.022 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -2.190 -4.260 -2.479 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.197 -3.946 -1.679 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.898 -3.584 -1.302 1.00 0.00 C ATOM 0 H ILE A 104 -0.804 -4.881 -4.825 1.00 0.00 H new ATOM 0 HA ILE A 104 0.436 -6.461 -2.621 1.00 0.00 H new ATOM 0 HB ILE A 104 -1.140 -5.497 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.956 -3.518 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.857 -4.990 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.172 -3.242 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.062 -4.476 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.487 -3.403 -2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.809 -3.100 -1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.152 -4.333 -0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.238 -2.838 -0.860 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.513 -8.041 -2.537 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.445 -9.139 -2.728 1.00 0.00 C ATOM 1591 C PHE A 105 -3.334 -9.323 -1.497 1.00 0.00 C ATOM 1592 O PHE A 105 -2.836 -9.431 -0.377 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.610 -10.404 -2.934 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.636 -10.323 -4.111 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.600 -9.784 -3.935 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -1.007 -10.790 -5.333 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.504 -9.708 -5.027 1.00 0.00 C ATOM 1598 CE2 PHE A 105 -0.103 -10.714 -6.426 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.133 -10.175 -6.250 1.00 0.00 C ATOM 0 H PHE A 105 -0.932 -8.115 -1.702 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.091 -8.935 -3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.047 -10.607 -2.023 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.281 -11.249 -3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.894 -9.414 -2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.989 -11.218 -5.472 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.486 -9.280 -4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.397 -11.084 -7.397 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.820 -10.118 -7.081 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.670 -9.354 -1.752 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.633 -9.523 -0.677 1.00 0.00 C ATOM 1611 C PRO A 106 -5.658 -10.972 -0.186 1.00 0.00 C ATOM 1612 O PRO A 106 -6.287 -11.830 -0.805 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.961 -9.072 -1.264 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.783 -9.108 -2.773 1.00 0.00 C ATOM 1615 CD PRO A 106 -5.296 -9.229 -3.065 1.00 0.00 C ATOM 0 HA PRO A 106 -5.384 -8.936 0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.771 -9.731 -0.950 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.217 -8.068 -0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.326 -9.951 -3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -7.189 -8.204 -3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.084 -10.097 -3.689 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.925 -8.354 -3.599 1.00 0.00 H new ATOM 1623 N ARG A 107 -4.966 -11.201 0.920 1.00 0.00 N ATOM 1624 CA ARG A 107 -4.901 -12.531 1.501 1.00 0.00 C ATOM 1625 C ARG A 107 -6.310 -13.054 1.790 1.00 0.00 C ATOM 1626 O ARG A 107 -6.823 -12.886 2.895 1.00 0.00 O ATOM 1627 CB ARG A 107 -4.090 -12.527 2.798 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.643 -12.953 2.542 1.00 0.00 C ATOM 1629 CD ARG A 107 -2.108 -13.801 3.698 1.00 0.00 C ATOM 1630 NE ARG A 107 -1.890 -12.952 4.889 1.00 0.00 N ATOM 1631 CZ ARG A 107 -1.830 -13.418 6.144 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -1.972 -14.730 6.378 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -1.627 -12.574 7.164 1.00 0.00 N ATOM 0 H ARG A 107 -4.445 -10.487 1.430 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.408 -13.183 0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.107 -11.530 3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.549 -13.202 3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.586 -13.521 1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.017 -12.070 2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.814 -14.597 3.933 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.173 -14.280 3.406 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.778 -11.948 4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.126 -15.373 5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.926 -15.086 7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.518 -11.576 6.986 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.582 -12.930 8.119 1.00 0.00 H new ATOM 1647 N SER A 108 -6.895 -13.676 0.777 1.00 0.00 N ATOM 1648 CA SER A 108 -8.234 -14.224 0.909 1.00 0.00 C ATOM 1649 C SER A 108 -8.174 -15.596 1.584 1.00 0.00 C ATOM 1650 O SER A 108 -7.812 -16.587 0.953 1.00 0.00 O ATOM 1651 CB SER A 108 -8.921 -14.333 -0.454 1.00 0.00 C ATOM 1652 OG SER A 108 -8.173 -15.132 -1.366 1.00 0.00 O ATOM 0 H SER A 108 -6.466 -13.813 -0.138 1.00 0.00 H new ATOM 0 HA SER A 108 -8.821 -13.547 1.529 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.914 -14.763 -0.326 1.00 0.00 H new ATOM 0 HB3 SER A 108 -9.057 -13.336 -0.872 1.00 0.00 H new ATOM 0 HG SER A 108 -7.818 -15.917 -0.898 1.00 0.00 H new ATOM 1658 N GLY A 109 -8.535 -15.609 2.859 1.00 0.00 N ATOM 1659 CA GLY A 109 -8.527 -16.842 3.627 1.00 0.00 C ATOM 1660 C GLY A 109 -9.140 -16.630 5.012 1.00 0.00 C ATOM 1661 O GLY A 109 -9.896 -15.682 5.222 1.00 0.00 O ATOM 0 H GLY A 109 -8.835 -14.785 3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.085 -17.611 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.504 -17.204 3.730 1.00 0.00 H new ATOM 1665 N PRO A 110 -8.783 -17.551 5.947 1.00 0.00 N ATOM 1666 CA PRO A 110 -9.289 -17.474 7.306 1.00 0.00 C ATOM 1667 C PRO A 110 -8.592 -16.360 8.089 1.00 0.00 C ATOM 1668 O PRO A 110 -7.592 -15.808 7.632 1.00 0.00 O ATOM 1669 CB PRO A 110 -9.048 -18.855 7.895 1.00 0.00 C ATOM 1670 CG PRO A 110 -8.001 -19.509 7.008 1.00 0.00 C ATOM 1671 CD PRO A 110 -7.890 -18.687 5.734 1.00 0.00 C ATOM 0 HA PRO A 110 -10.348 -17.218 7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -8.699 -18.785 8.925 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.968 -19.439 7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.040 -19.551 7.520 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.284 -20.536 6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.865 -18.358 5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -8.189 -19.267 4.861 1.00 0.00 H new ATOM 1679 N SER A 111 -9.147 -16.062 9.254 1.00 0.00 N ATOM 1680 CA SER A 111 -8.591 -15.024 10.105 1.00 0.00 C ATOM 1681 C SER A 111 -7.740 -15.652 11.210 1.00 0.00 C ATOM 1682 O SER A 111 -6.564 -15.324 11.356 1.00 0.00 O ATOM 1683 CB SER A 111 -9.697 -14.159 10.713 1.00 0.00 C ATOM 1684 OG SER A 111 -9.589 -12.796 10.313 1.00 0.00 O ATOM 0 H SER A 111 -9.977 -16.522 9.629 1.00 0.00 H new ATOM 0 HA SER A 111 -7.960 -14.381 9.491 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.669 -14.549 10.412 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.651 -14.223 11.800 1.00 0.00 H new ATOM 0 HG SER A 111 -10.314 -12.277 10.720 1.00 0.00 H new ATOM 1690 N SER A 112 -8.369 -16.545 11.961 1.00 0.00 N ATOM 1691 CA SER A 112 -7.684 -17.222 13.049 1.00 0.00 C ATOM 1692 C SER A 112 -7.186 -16.199 14.072 1.00 0.00 C ATOM 1693 O SER A 112 -7.009 -15.026 13.747 1.00 0.00 O ATOM 1694 CB SER A 112 -6.516 -18.062 12.527 1.00 0.00 C ATOM 1695 OG SER A 112 -6.962 -19.206 11.805 1.00 0.00 O ATOM 0 H SER A 112 -9.345 -16.815 11.837 1.00 0.00 H new ATOM 0 HA SER A 112 -8.393 -17.894 13.533 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.888 -17.448 11.881 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.896 -18.381 13.365 1.00 0.00 H new ATOM 0 HG SER A 112 -6.187 -19.715 11.487 1.00 0.00 H new ATOM 1701 N GLY A 113 -6.975 -16.680 15.288 1.00 0.00 N ATOM 1702 CA GLY A 113 -6.501 -15.822 16.361 1.00 0.00 C ATOM 1703 C GLY A 113 -7.485 -15.816 17.533 1.00 0.00 C ATOM 1704 O GLY A 113 -8.690 -15.966 17.338 1.00 0.00 O ATOM 0 H GLY A 113 -7.124 -17.653 15.554 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -5.525 -16.166 16.703 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -6.368 -14.807 15.988 1.00 0.00 H new TER 1708 GLY A 113