USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc=0.000337 (180deg=-0.136) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0126 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.15 K(o=-1.2,f=-6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 43 LYS NZ :NH3+ -136:sc= -1.6! (180deg=-2.32!) USER MOD Single : A 50 ASN : amide:sc= -2.85 X(o=-2.8,f=-2.6) USER MOD Single : A 54 SER OG : rot 180:sc= -0.202 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.033) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -168:sc= -0.242 (180deg=-0.449) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -2.78 K(o=-2.8,f=-8.1!) USER MOD Single : A 79 GLN : amide:sc= -1.96 K(o=-2,f=-1.2) USER MOD Single : A 83 MET CE :methyl 163:sc= -0.0617 (180deg=-0.494) USER MOD Single : A 88 GLN : amide:sc= -1.52 X(o=-1.5,f=-2) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.367 1.372 -19.055 1.00 0.00 N ATOM 2 CA MET A 1 -18.151 -0.088 -18.876 1.00 0.00 C ATOM 3 C MET A 1 -19.481 -0.817 -18.688 1.00 0.00 C ATOM 4 O MET A 1 -20.419 -0.266 -18.110 1.00 0.00 O ATOM 5 CB MET A 1 -17.250 -0.340 -17.665 1.00 0.00 C ATOM 6 CG MET A 1 -15.851 0.235 -17.816 1.00 0.00 C ATOM 7 SD MET A 1 -14.798 -0.118 -16.395 1.00 0.00 S ATOM 8 CE MET A 1 -13.252 0.609 -16.934 1.00 0.00 C ATOM 0 H1 MET A 1 -17.888 1.690 -19.922 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.386 1.565 -19.131 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.978 1.883 -18.237 1.00 0.00 H new ATOM 0 HA MET A 1 -17.668 -0.473 -19.774 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.717 0.091 -16.779 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.176 -1.414 -17.495 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.390 -0.173 -18.715 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.919 1.314 -17.954 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.496 0.472 -16.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.923 0.124 -17.853 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.395 1.674 -17.117 1.00 0.00 H new ATOM 20 N PRO A 2 -19.581 -2.070 -19.175 1.00 0.00 N ATOM 21 CA PRO A 2 -20.805 -2.865 -19.053 1.00 0.00 C ATOM 22 C PRO A 2 -20.979 -3.450 -17.656 1.00 0.00 C ATOM 23 O PRO A 2 -20.050 -4.035 -17.097 1.00 0.00 O ATOM 24 CB PRO A 2 -20.597 -3.980 -20.075 1.00 0.00 C ATOM 25 CG PRO A 2 -19.120 -4.166 -20.128 1.00 0.00 C ATOM 26 CD PRO A 2 -18.515 -2.808 -19.885 1.00 0.00 C ATOM 0 HA PRO A 2 -21.701 -2.268 -19.224 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -21.102 -4.897 -19.771 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.998 -3.704 -21.050 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -18.790 -4.879 -19.373 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -18.812 -4.561 -21.096 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.607 -2.876 -19.285 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -18.243 -2.318 -20.820 1.00 0.00 H new ATOM 34 N PHE A 3 -22.174 -3.286 -17.098 1.00 0.00 N ATOM 35 CA PHE A 3 -22.475 -3.796 -15.766 1.00 0.00 C ATOM 36 C PHE A 3 -22.515 -5.322 -15.767 1.00 0.00 C ATOM 37 O PHE A 3 -22.408 -5.956 -14.717 1.00 0.00 O ATOM 38 CB PHE A 3 -23.812 -3.234 -15.277 1.00 0.00 C ATOM 39 CG PHE A 3 -24.137 -3.599 -13.856 1.00 0.00 C ATOM 40 CD1 PHE A 3 -23.536 -2.931 -12.801 1.00 0.00 C ATOM 41 CD2 PHE A 3 -25.043 -4.609 -13.577 1.00 0.00 C ATOM 42 CE1 PHE A 3 -23.833 -3.264 -11.493 1.00 0.00 C ATOM 43 CE2 PHE A 3 -25.344 -4.946 -12.271 1.00 0.00 C ATOM 44 CZ PHE A 3 -24.738 -4.273 -11.228 1.00 0.00 C ATOM 0 H PHE A 3 -22.951 -2.803 -17.549 1.00 0.00 H new ATOM 0 HA PHE A 3 -21.685 -3.474 -15.088 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -23.795 -2.148 -15.369 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -24.608 -3.597 -15.927 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -22.828 -2.141 -13.003 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -25.519 -5.139 -14.389 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -23.358 -2.736 -10.679 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -26.052 -5.735 -12.066 1.00 0.00 H new ATOM 0 HZ PHE A 3 -24.972 -4.535 -10.207 1.00 0.00 H new ATOM 54 N HIS A 4 -22.668 -5.903 -16.952 1.00 0.00 N ATOM 55 CA HIS A 4 -22.722 -7.353 -17.093 1.00 0.00 C ATOM 56 C HIS A 4 -21.312 -7.946 -17.162 1.00 0.00 C ATOM 57 O HIS A 4 -20.503 -7.529 -17.991 1.00 0.00 O ATOM 58 CB HIS A 4 -23.506 -7.734 -18.351 1.00 0.00 C ATOM 59 CG HIS A 4 -24.910 -7.214 -18.360 1.00 0.00 C ATOM 60 ND1 HIS A 4 -25.256 -5.990 -18.893 1.00 0.00 N ATOM 61 CD2 HIS A 4 -26.061 -7.760 -17.901 1.00 0.00 C ATOM 62 CE1 HIS A 4 -26.557 -5.805 -18.761 1.00 0.00 C ATOM 63 NE2 HIS A 4 -27.069 -6.865 -18.162 1.00 0.00 N ATOM 0 H HIS A 4 -22.757 -5.391 -17.830 1.00 0.00 H new ATOM 0 HA HIS A 4 -23.228 -7.760 -16.218 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -22.980 -7.353 -19.226 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -23.529 -8.820 -18.440 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -26.167 -8.721 -17.419 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -27.108 -4.935 -19.087 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -28.054 -6.997 -17.931 1.00 0.00 H new ATOM 72 N PRO A 5 -20.996 -8.929 -16.294 1.00 0.00 N ATOM 73 CA PRO A 5 -19.672 -9.563 -16.273 1.00 0.00 C ATOM 74 C PRO A 5 -19.325 -10.218 -17.605 1.00 0.00 C ATOM 75 O PRO A 5 -20.147 -10.916 -18.198 1.00 0.00 O ATOM 76 CB PRO A 5 -19.789 -10.625 -15.170 1.00 0.00 C ATOM 77 CG PRO A 5 -21.252 -10.822 -14.967 1.00 0.00 C ATOM 78 CD PRO A 5 -21.890 -9.499 -15.273 1.00 0.00 C ATOM 0 HA PRO A 5 -18.880 -8.836 -16.094 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -19.304 -11.555 -15.467 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -19.306 -10.293 -14.251 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -21.636 -11.602 -15.624 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -21.466 -11.132 -13.944 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -22.907 -9.618 -15.648 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -21.949 -8.865 -14.388 1.00 0.00 H new ATOM 86 N VAL A 6 -18.100 -9.988 -18.067 1.00 0.00 N ATOM 87 CA VAL A 6 -17.640 -10.548 -19.332 1.00 0.00 C ATOM 88 C VAL A 6 -16.841 -11.830 -19.112 1.00 0.00 C ATOM 89 O VAL A 6 -16.270 -12.040 -18.041 1.00 0.00 O ATOM 90 CB VAL A 6 -16.772 -9.538 -20.107 1.00 0.00 C ATOM 91 CG1 VAL A 6 -17.598 -8.330 -20.515 1.00 0.00 C ATOM 92 CG2 VAL A 6 -15.571 -9.113 -19.274 1.00 0.00 C ATOM 0 H VAL A 6 -17.407 -9.417 -17.583 1.00 0.00 H new ATOM 0 HA VAL A 6 -18.529 -10.778 -19.919 1.00 0.00 H new ATOM 0 HB VAL A 6 -16.404 -10.023 -21.011 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -16.969 -7.627 -21.061 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -18.422 -8.651 -21.152 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -17.996 -7.844 -19.624 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.971 -8.400 -19.839 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -15.915 -8.647 -18.351 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.966 -9.988 -19.035 1.00 0.00 H new ATOM 102 N THR A 7 -16.809 -12.686 -20.131 1.00 0.00 N ATOM 103 CA THR A 7 -16.078 -13.946 -20.050 1.00 0.00 C ATOM 104 C THR A 7 -14.792 -13.885 -20.868 1.00 0.00 C ATOM 105 O THR A 7 -14.778 -14.233 -22.049 1.00 0.00 O ATOM 106 CB THR A 7 -16.938 -15.127 -20.544 1.00 0.00 C ATOM 107 OG1 THR A 7 -18.193 -15.140 -19.852 1.00 0.00 O ATOM 108 CG2 THR A 7 -16.222 -16.451 -20.322 1.00 0.00 C ATOM 0 H THR A 7 -17.281 -12.529 -21.022 1.00 0.00 H new ATOM 0 HA THR A 7 -15.830 -14.105 -19.001 1.00 0.00 H new ATOM 0 HB THR A 7 -17.110 -14.999 -21.613 1.00 0.00 H new ATOM 0 HG1 THR A 7 -18.735 -15.891 -20.172 1.00 0.00 H new ATOM 0 HG21 THR A 7 -16.849 -17.268 -20.679 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.280 -16.451 -20.870 1.00 0.00 H new ATOM 0 HG23 THR A 7 -16.024 -16.583 -19.258 1.00 0.00 H new ATOM 116 N ALA A 8 -13.714 -13.436 -20.231 1.00 0.00 N ATOM 117 CA ALA A 8 -12.421 -13.323 -20.897 1.00 0.00 C ATOM 118 C ALA A 8 -11.397 -14.271 -20.280 1.00 0.00 C ATOM 119 O ALA A 8 -11.345 -14.437 -19.061 1.00 0.00 O ATOM 120 CB ALA A 8 -11.923 -11.887 -20.825 1.00 0.00 C ATOM 0 H ALA A 8 -13.711 -13.144 -19.254 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.550 -13.605 -21.942 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.957 -11.811 -21.325 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.639 -11.229 -21.317 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.816 -11.591 -19.781 1.00 0.00 H new ATOM 126 N ALA A 9 -10.586 -14.891 -21.132 1.00 0.00 N ATOM 127 CA ALA A 9 -9.561 -15.825 -20.677 1.00 0.00 C ATOM 128 C ALA A 9 -8.280 -15.092 -20.290 1.00 0.00 C ATOM 129 O ALA A 9 -7.615 -15.458 -19.320 1.00 0.00 O ATOM 130 CB ALA A 9 -9.272 -16.858 -21.757 1.00 0.00 C ATOM 0 H ALA A 9 -10.619 -14.763 -22.143 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.939 -16.335 -19.791 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.506 -17.548 -21.404 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.183 -17.412 -21.984 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.920 -16.354 -22.657 1.00 0.00 H new ATOM 136 N LEU A 10 -7.938 -14.059 -21.056 1.00 0.00 N ATOM 137 CA LEU A 10 -6.737 -13.275 -20.790 1.00 0.00 C ATOM 138 C LEU A 10 -7.100 -11.903 -20.234 1.00 0.00 C ATOM 139 O LEU A 10 -7.966 -11.213 -20.774 1.00 0.00 O ATOM 140 CB LEU A 10 -5.901 -13.116 -22.064 1.00 0.00 C ATOM 141 CG LEU A 10 -5.387 -14.421 -22.676 1.00 0.00 C ATOM 142 CD1 LEU A 10 -6.472 -15.088 -23.508 1.00 0.00 C ATOM 143 CD2 LEU A 10 -4.149 -14.160 -23.519 1.00 0.00 C ATOM 0 H LEU A 10 -8.475 -13.746 -21.865 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.146 -13.809 -20.046 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.501 -12.596 -22.810 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.046 -12.477 -21.841 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.116 -15.098 -21.866 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.086 -16.014 -23.934 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.331 -15.310 -22.875 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.777 -14.418 -24.312 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.796 -15.098 -23.947 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.395 -13.465 -24.322 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.367 -13.730 -22.893 1.00 0.00 H new ATOM 155 N MET A 11 -6.432 -11.511 -19.154 1.00 0.00 N ATOM 156 CA MET A 11 -6.687 -10.221 -18.522 1.00 0.00 C ATOM 157 C MET A 11 -5.420 -9.370 -18.487 1.00 0.00 C ATOM 158 O MET A 11 -5.240 -8.545 -17.591 1.00 0.00 O ATOM 159 CB MET A 11 -7.223 -10.425 -17.104 1.00 0.00 C ATOM 160 CG MET A 11 -8.486 -11.268 -17.047 1.00 0.00 C ATOM 161 SD MET A 11 -9.081 -11.518 -15.364 1.00 0.00 S ATOM 162 CE MET A 11 -10.488 -12.586 -15.657 1.00 0.00 C ATOM 0 H MET A 11 -5.710 -12.068 -18.698 1.00 0.00 H new ATOM 0 HA MET A 11 -7.436 -9.694 -19.114 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.452 -10.900 -16.498 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.425 -9.452 -16.657 1.00 0.00 H new ATOM 0 HG2 MET A 11 -9.266 -10.786 -17.636 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.292 -12.237 -17.507 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.964 -12.830 -14.707 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.204 -12.076 -16.301 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.154 -13.503 -16.142 1.00 0.00 H new ATOM 172 N TYR A 12 -4.548 -9.578 -19.468 1.00 0.00 N ATOM 173 CA TYR A 12 -3.297 -8.830 -19.550 1.00 0.00 C ATOM 174 C TYR A 12 -3.518 -7.474 -20.211 1.00 0.00 C ATOM 175 O TYR A 12 -2.981 -6.460 -19.764 1.00 0.00 O ATOM 176 CB TYR A 12 -2.251 -9.626 -20.332 1.00 0.00 C ATOM 177 CG TYR A 12 -1.979 -11.000 -19.761 1.00 0.00 C ATOM 178 CD1 TYR A 12 -1.141 -11.165 -18.664 1.00 0.00 C ATOM 179 CD2 TYR A 12 -2.560 -12.133 -20.318 1.00 0.00 C ATOM 180 CE1 TYR A 12 -0.889 -12.418 -18.141 1.00 0.00 C ATOM 181 CE2 TYR A 12 -2.313 -13.389 -19.800 1.00 0.00 C ATOM 182 CZ TYR A 12 -1.479 -13.527 -18.711 1.00 0.00 C ATOM 183 OH TYR A 12 -1.231 -14.777 -18.193 1.00 0.00 O ATOM 0 H TYR A 12 -4.684 -10.257 -20.217 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.934 -8.666 -18.535 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.585 -9.731 -21.364 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.319 -9.061 -20.354 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.679 -10.299 -18.213 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.216 -12.029 -21.170 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.233 -12.529 -17.290 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.771 -14.259 -20.246 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.724 -15.449 -18.709 1.00 0.00 H new ATOM 193 N ARG A 13 -4.310 -7.462 -21.280 1.00 0.00 N ATOM 194 CA ARG A 13 -4.601 -6.230 -22.005 1.00 0.00 C ATOM 195 C ARG A 13 -5.484 -5.305 -21.173 1.00 0.00 C ATOM 196 O ARG A 13 -5.484 -4.089 -21.369 1.00 0.00 O ATOM 197 CB ARG A 13 -5.284 -6.548 -23.337 1.00 0.00 C ATOM 198 CG ARG A 13 -5.540 -5.322 -24.199 1.00 0.00 C ATOM 199 CD ARG A 13 -6.236 -5.691 -25.499 1.00 0.00 C ATOM 200 NE ARG A 13 -5.455 -6.643 -26.286 1.00 0.00 N ATOM 201 CZ ARG A 13 -5.981 -7.445 -27.208 1.00 0.00 C ATOM 202 NH1 ARG A 13 -7.283 -7.405 -27.463 1.00 0.00 N ATOM 203 NH2 ARG A 13 -5.205 -8.288 -27.877 1.00 0.00 N ATOM 0 H ARG A 13 -4.762 -8.293 -21.663 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.658 -5.720 -22.201 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.665 -7.251 -23.894 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.233 -7.047 -23.139 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.152 -4.609 -23.647 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.594 -4.827 -24.419 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.214 -6.119 -25.278 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.408 -4.789 -26.087 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.450 -6.696 -26.119 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.883 -6.758 -26.951 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.683 -8.021 -28.170 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.204 -8.322 -27.685 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.610 -8.902 -28.584 1.00 0.00 H new ATOM 217 N GLY A 14 -6.233 -5.889 -20.244 1.00 0.00 N ATOM 218 CA GLY A 14 -7.111 -5.102 -19.398 1.00 0.00 C ATOM 219 C GLY A 14 -6.420 -4.600 -18.147 1.00 0.00 C ATOM 220 O GLY A 14 -7.061 -4.393 -17.116 1.00 0.00 O ATOM 0 H GLY A 14 -6.248 -6.892 -20.062 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.490 -4.252 -19.965 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.973 -5.706 -19.115 1.00 0.00 H new ATOM 224 N ILE A 15 -5.108 -4.402 -18.236 1.00 0.00 N ATOM 225 CA ILE A 15 -4.330 -3.923 -17.100 1.00 0.00 C ATOM 226 C ILE A 15 -2.977 -3.376 -17.549 1.00 0.00 C ATOM 227 O ILE A 15 -2.395 -3.850 -18.524 1.00 0.00 O ATOM 228 CB ILE A 15 -4.106 -5.044 -16.065 1.00 0.00 C ATOM 229 CG1 ILE A 15 -3.421 -4.487 -14.813 1.00 0.00 C ATOM 230 CG2 ILE A 15 -3.279 -6.169 -16.675 1.00 0.00 C ATOM 231 CD1 ILE A 15 -3.289 -5.495 -13.694 1.00 0.00 C ATOM 0 H ILE A 15 -4.563 -4.566 -19.082 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.903 -3.120 -16.637 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.075 -5.448 -15.773 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.429 -4.125 -15.083 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.987 -3.628 -14.452 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.129 -6.953 -15.933 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.804 -6.580 -17.537 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.312 -5.779 -16.992 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.795 -5.029 -12.841 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.279 -5.840 -13.396 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.698 -6.344 -14.037 1.00 0.00 H new ATOM 243 N TYR A 16 -2.486 -2.371 -16.829 1.00 0.00 N ATOM 244 CA TYR A 16 -1.201 -1.758 -17.142 1.00 0.00 C ATOM 245 C TYR A 16 -0.048 -2.646 -16.683 1.00 0.00 C ATOM 246 O TYR A 16 -0.160 -3.363 -15.687 1.00 0.00 O ATOM 247 CB TYR A 16 -1.102 -0.379 -16.486 1.00 0.00 C ATOM 248 CG TYR A 16 -1.585 -0.355 -15.054 1.00 0.00 C ATOM 249 CD1 TYR A 16 -0.755 -0.744 -14.012 1.00 0.00 C ATOM 250 CD2 TYR A 16 -2.878 0.053 -14.746 1.00 0.00 C ATOM 251 CE1 TYR A 16 -1.198 -0.727 -12.702 1.00 0.00 C ATOM 252 CE2 TYR A 16 -3.327 0.073 -13.441 1.00 0.00 C ATOM 253 CZ TYR A 16 -2.485 -0.318 -12.423 1.00 0.00 C ATOM 254 OH TYR A 16 -2.931 -0.302 -11.121 1.00 0.00 O ATOM 0 H TYR A 16 -2.961 -1.964 -16.023 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.131 -1.642 -18.224 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.065 -0.045 -16.517 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.684 0.334 -17.069 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.253 -1.065 -14.228 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.542 0.359 -15.541 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.540 -1.032 -11.902 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.334 0.394 -13.219 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.859 0.012 -11.097 1.00 0.00 H new ATOM 264 N THR A 17 1.062 -2.590 -17.415 1.00 0.00 N ATOM 265 CA THR A 17 2.237 -3.395 -17.097 1.00 0.00 C ATOM 266 C THR A 17 3.204 -2.644 -16.187 1.00 0.00 C ATOM 267 O THR A 17 3.784 -3.228 -15.271 1.00 0.00 O ATOM 268 CB THR A 17 2.985 -3.820 -18.374 1.00 0.00 C ATOM 269 OG1 THR A 17 3.435 -2.661 -19.086 1.00 0.00 O ATOM 270 CG2 THR A 17 2.089 -4.658 -19.274 1.00 0.00 C ATOM 0 H THR A 17 1.172 -1.993 -18.235 1.00 0.00 H new ATOM 0 HA THR A 17 1.874 -4.281 -16.577 1.00 0.00 H new ATOM 0 HB THR A 17 3.844 -4.423 -18.081 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.911 -2.939 -19.896 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.640 -4.946 -20.169 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.772 -5.553 -18.739 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.213 -4.076 -19.559 1.00 0.00 H new ATOM 278 N VAL A 18 3.379 -1.352 -16.447 1.00 0.00 N ATOM 279 CA VAL A 18 4.281 -0.529 -15.650 1.00 0.00 C ATOM 280 C VAL A 18 3.865 -0.520 -14.180 1.00 0.00 C ATOM 281 O VAL A 18 2.674 -0.568 -13.873 1.00 0.00 O ATOM 282 CB VAL A 18 4.333 0.920 -16.172 1.00 0.00 C ATOM 283 CG1 VAL A 18 4.953 0.962 -17.561 1.00 0.00 C ATOM 284 CG2 VAL A 18 2.943 1.538 -16.184 1.00 0.00 C ATOM 0 H VAL A 18 2.909 -0.853 -17.202 1.00 0.00 H new ATOM 0 HA VAL A 18 5.273 -0.971 -15.739 1.00 0.00 H new ATOM 0 HB VAL A 18 4.958 1.506 -15.498 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.982 1.992 -17.915 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.967 0.564 -17.519 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.355 0.360 -18.245 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.003 2.561 -16.556 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.291 0.954 -16.833 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.538 1.543 -15.172 1.00 0.00 H new ATOM 294 N PRO A 19 4.836 -0.460 -13.247 1.00 0.00 N ATOM 295 CA PRO A 19 4.545 -0.460 -11.810 1.00 0.00 C ATOM 296 C PRO A 19 3.520 0.601 -11.424 1.00 0.00 C ATOM 297 O PRO A 19 2.443 0.277 -10.919 1.00 0.00 O ATOM 298 CB PRO A 19 5.899 -0.162 -11.149 1.00 0.00 C ATOM 299 CG PRO A 19 6.813 0.253 -12.256 1.00 0.00 C ATOM 300 CD PRO A 19 6.281 -0.386 -13.506 1.00 0.00 C ATOM 0 HA PRO A 19 4.110 -1.408 -11.494 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.804 0.628 -10.404 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.284 -1.042 -10.634 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.836 1.338 -12.354 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.835 -0.071 -12.058 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.503 0.211 -14.391 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.713 -1.373 -13.671 1.00 0.00 H new ATOM 308 N ASN A 20 3.854 1.864 -11.679 1.00 0.00 N ATOM 309 CA ASN A 20 2.962 2.974 -11.353 1.00 0.00 C ATOM 310 C ASN A 20 3.567 4.312 -11.772 1.00 0.00 C ATOM 311 O ASN A 20 3.627 5.252 -10.979 1.00 0.00 O ATOM 312 CB ASN A 20 2.656 2.988 -9.852 1.00 0.00 C ATOM 313 CG ASN A 20 3.910 3.083 -9.003 1.00 0.00 C ATOM 314 OD1 ASN A 20 4.980 2.623 -9.399 1.00 0.00 O ATOM 315 ND2 ASN A 20 3.781 3.680 -7.825 1.00 0.00 N ATOM 0 H ASN A 20 4.735 2.144 -12.110 1.00 0.00 H new ATOM 0 HA ASN A 20 2.035 2.830 -11.907 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.003 3.831 -9.626 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.110 2.082 -9.588 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.588 3.771 -7.208 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.874 4.047 -7.536 1.00 0.00 H new ATOM 322 N LEU A 21 4.012 4.394 -13.022 1.00 0.00 N ATOM 323 CA LEU A 21 4.606 5.623 -13.541 1.00 0.00 C ATOM 324 C LEU A 21 3.529 6.658 -13.849 1.00 0.00 C ATOM 325 O LEU A 21 3.823 7.841 -14.021 1.00 0.00 O ATOM 326 CB LEU A 21 5.426 5.335 -14.806 1.00 0.00 C ATOM 327 CG LEU A 21 6.800 4.693 -14.577 1.00 0.00 C ATOM 328 CD1 LEU A 21 7.658 5.563 -13.670 1.00 0.00 C ATOM 329 CD2 LEU A 21 6.653 3.296 -13.995 1.00 0.00 C ATOM 0 H LEU A 21 3.973 3.627 -13.693 1.00 0.00 H new ATOM 0 HA LEU A 21 5.268 6.024 -12.774 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.843 4.680 -15.453 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.568 6.271 -15.345 1.00 0.00 H new ATOM 0 HG LEU A 21 7.299 4.610 -15.543 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.628 5.088 -13.521 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.799 6.541 -14.131 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.162 5.684 -12.707 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.640 2.860 -13.841 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.129 3.353 -13.041 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.085 2.672 -14.685 1.00 0.00 H new ATOM 341 N LEU A 22 2.282 6.205 -13.917 1.00 0.00 N ATOM 342 CA LEU A 22 1.158 7.088 -14.207 1.00 0.00 C ATOM 343 C LEU A 22 0.389 7.436 -12.935 1.00 0.00 C ATOM 344 O LEU A 22 -0.557 8.224 -12.966 1.00 0.00 O ATOM 345 CB LEU A 22 0.222 6.437 -15.231 1.00 0.00 C ATOM 346 CG LEU A 22 -0.111 4.964 -14.973 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.106 4.824 -13.832 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.653 4.313 -16.237 1.00 0.00 C ATOM 0 H LEU A 22 2.024 5.229 -13.775 1.00 0.00 H new ATOM 0 HA LEU A 22 1.554 8.013 -14.626 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.709 7.003 -15.258 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.676 6.522 -16.218 1.00 0.00 H new ATOM 0 HG LEU A 22 0.808 4.453 -14.685 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.326 3.769 -13.669 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.681 5.251 -12.924 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.026 5.352 -14.085 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.885 3.267 -16.037 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.558 4.831 -16.554 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.095 4.374 -17.027 1.00 0.00 H new ATOM 360 N SER A 23 0.802 6.843 -11.818 1.00 0.00 N ATOM 361 CA SER A 23 0.151 7.087 -10.536 1.00 0.00 C ATOM 362 C SER A 23 0.951 8.074 -9.691 1.00 0.00 C ATOM 363 O SER A 23 0.451 9.136 -9.322 1.00 0.00 O ATOM 364 CB SER A 23 -0.029 5.773 -9.773 1.00 0.00 C ATOM 365 OG SER A 23 -0.626 5.994 -8.507 1.00 0.00 O ATOM 0 H SER A 23 1.585 6.190 -11.776 1.00 0.00 H new ATOM 0 HA SER A 23 -0.828 7.522 -10.735 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.649 5.092 -10.357 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.939 5.290 -9.642 1.00 0.00 H new ATOM 0 HG SER A 23 -0.731 5.138 -8.041 1.00 0.00 H new ATOM 371 N GLU A 24 2.196 7.716 -9.388 1.00 0.00 N ATOM 372 CA GLU A 24 3.062 8.569 -8.580 1.00 0.00 C ATOM 373 C GLU A 24 4.291 9.017 -9.368 1.00 0.00 C ATOM 374 O GLU A 24 4.763 10.143 -9.208 1.00 0.00 O ATOM 375 CB GLU A 24 3.496 7.833 -7.312 1.00 0.00 C ATOM 376 CG GLU A 24 2.334 7.383 -6.442 1.00 0.00 C ATOM 377 CD GLU A 24 1.522 8.545 -5.905 1.00 0.00 C ATOM 378 OE1 GLU A 24 0.569 8.971 -6.590 1.00 0.00 O ATOM 379 OE2 GLU A 24 1.840 9.031 -4.799 1.00 0.00 O ATOM 0 H GLU A 24 2.627 6.842 -9.689 1.00 0.00 H new ATOM 0 HA GLU A 24 2.493 9.457 -8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.088 6.962 -7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.145 8.485 -6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.684 6.728 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.716 6.796 -5.607 1.00 0.00 H new ATOM 386 N GLN A 25 4.810 8.117 -10.206 1.00 0.00 N ATOM 387 CA GLN A 25 5.982 8.401 -11.039 1.00 0.00 C ATOM 388 C GLN A 25 7.262 8.517 -10.208 1.00 0.00 C ATOM 389 O GLN A 25 8.367 8.486 -10.749 1.00 0.00 O ATOM 390 CB GLN A 25 5.765 9.681 -11.857 1.00 0.00 C ATOM 391 CG GLN A 25 6.932 10.032 -12.767 1.00 0.00 C ATOM 392 CD GLN A 25 6.711 11.324 -13.530 1.00 0.00 C ATOM 393 OE1 GLN A 25 5.577 11.688 -13.842 1.00 0.00 O ATOM 394 NE2 GLN A 25 7.797 12.025 -13.834 1.00 0.00 N ATOM 0 H GLN A 25 4.433 7.177 -10.326 1.00 0.00 H new ATOM 0 HA GLN A 25 6.105 7.558 -11.719 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.866 9.566 -12.462 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.586 10.512 -11.174 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.840 10.118 -12.170 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.092 9.219 -13.475 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.718 11.686 -13.555 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.711 12.903 -14.346 1.00 0.00 H new ATOM 403 N ARG A 26 7.112 8.634 -8.895 1.00 0.00 N ATOM 404 CA ARG A 26 8.263 8.759 -8.006 1.00 0.00 C ATOM 405 C ARG A 26 8.969 7.412 -7.825 1.00 0.00 C ATOM 406 O ARG A 26 8.317 6.386 -7.628 1.00 0.00 O ATOM 407 CB ARG A 26 7.825 9.311 -6.648 1.00 0.00 C ATOM 408 CG ARG A 26 6.838 8.417 -5.919 1.00 0.00 C ATOM 409 CD ARG A 26 6.278 9.096 -4.679 1.00 0.00 C ATOM 410 NE ARG A 26 7.326 9.471 -3.734 1.00 0.00 N ATOM 411 CZ ARG A 26 7.089 10.080 -2.574 1.00 0.00 C ATOM 412 NH1 ARG A 26 5.847 10.383 -2.223 1.00 0.00 N ATOM 413 NH2 ARG A 26 8.095 10.386 -1.765 1.00 0.00 N ATOM 0 H ARG A 26 6.208 8.645 -8.422 1.00 0.00 H new ATOM 0 HA ARG A 26 8.968 9.454 -8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.706 9.453 -6.021 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.375 10.293 -6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.021 8.153 -6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.330 7.487 -5.634 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.722 9.986 -4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.571 8.427 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 26 8.293 9.254 -3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.071 10.150 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.668 10.850 -1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.052 10.155 -2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.911 10.853 -0.877 1.00 0.00 H new ATOM 427 N PRO A 27 10.316 7.397 -7.894 1.00 0.00 N ATOM 428 CA PRO A 27 11.101 6.176 -7.738 1.00 0.00 C ATOM 429 C PRO A 27 11.446 5.882 -6.281 1.00 0.00 C ATOM 430 O PRO A 27 12.583 6.076 -5.850 1.00 0.00 O ATOM 431 CB PRO A 27 12.363 6.498 -8.532 1.00 0.00 C ATOM 432 CG PRO A 27 12.555 7.968 -8.353 1.00 0.00 C ATOM 433 CD PRO A 27 11.184 8.567 -8.139 1.00 0.00 C ATOM 0 HA PRO A 27 10.566 5.289 -8.078 1.00 0.00 H new ATOM 0 HB2 PRO A 27 13.220 5.938 -8.159 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.246 6.239 -9.584 1.00 0.00 H new ATOM 0 HG2 PRO A 27 13.203 8.172 -7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.035 8.404 -9.229 1.00 0.00 H new ATOM 0 HD2 PRO A 27 11.176 9.254 -7.293 1.00 0.00 H new ATOM 0 HD3 PRO A 27 10.855 9.132 -9.011 1.00 0.00 H new ATOM 441 N VAL A 28 10.458 5.413 -5.523 1.00 0.00 N ATOM 442 CA VAL A 28 10.663 5.093 -4.114 1.00 0.00 C ATOM 443 C VAL A 28 9.943 3.812 -3.718 1.00 0.00 C ATOM 444 O VAL A 28 9.187 3.239 -4.501 1.00 0.00 O ATOM 445 CB VAL A 28 10.183 6.223 -3.190 1.00 0.00 C ATOM 446 CG1 VAL A 28 11.068 7.452 -3.333 1.00 0.00 C ATOM 447 CG2 VAL A 28 8.730 6.568 -3.478 1.00 0.00 C ATOM 0 H VAL A 28 9.510 5.247 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 28 11.738 4.962 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 28 10.254 5.874 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.709 8.238 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.094 7.195 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.037 7.805 -4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.408 7.370 -2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.632 6.893 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.108 5.689 -3.313 1.00 0.00 H new ATOM 457 N ASP A 29 10.191 3.371 -2.489 1.00 0.00 N ATOM 458 CA ASP A 29 9.579 2.158 -1.970 1.00 0.00 C ATOM 459 C ASP A 29 8.923 2.416 -0.615 1.00 0.00 C ATOM 460 O ASP A 29 9.498 3.084 0.245 1.00 0.00 O ATOM 461 CB ASP A 29 10.636 1.065 -1.841 1.00 0.00 C ATOM 462 CG ASP A 29 11.593 1.317 -0.692 1.00 0.00 C ATOM 463 OD1 ASP A 29 12.573 2.067 -0.887 1.00 0.00 O ATOM 464 OD2 ASP A 29 11.362 0.765 0.405 1.00 0.00 O ATOM 0 H ASP A 29 10.815 3.840 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 29 8.805 1.834 -2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.144 0.103 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.200 0.997 -2.771 1.00 0.00 H new ATOM 469 N ILE A 30 7.718 1.884 -0.432 1.00 0.00 N ATOM 470 CA ILE A 30 6.990 2.061 0.818 1.00 0.00 C ATOM 471 C ILE A 30 7.250 0.898 1.778 1.00 0.00 C ATOM 472 O ILE A 30 6.840 -0.232 1.513 1.00 0.00 O ATOM 473 CB ILE A 30 5.473 2.181 0.576 1.00 0.00 C ATOM 474 CG1 ILE A 30 5.178 3.254 -0.478 1.00 0.00 C ATOM 475 CG2 ILE A 30 4.757 2.495 1.879 1.00 0.00 C ATOM 476 CD1 ILE A 30 5.659 4.639 -0.095 1.00 0.00 C ATOM 0 H ILE A 30 7.227 1.328 -1.132 1.00 0.00 H new ATOM 0 HA ILE A 30 7.353 2.987 1.264 1.00 0.00 H new ATOM 0 HB ILE A 30 5.104 1.227 0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.647 2.964 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.103 3.289 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.686 2.577 1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.941 1.696 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.130 3.437 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.414 5.342 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.171 4.951 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.739 4.621 0.053 1.00 0.00 H new ATOM 488 N PRO A 31 7.935 1.158 2.909 1.00 0.00 N ATOM 489 CA PRO A 31 8.242 0.122 3.902 1.00 0.00 C ATOM 490 C PRO A 31 6.996 -0.378 4.627 1.00 0.00 C ATOM 491 O PRO A 31 6.022 0.359 4.777 1.00 0.00 O ATOM 492 CB PRO A 31 9.186 0.825 4.879 1.00 0.00 C ATOM 493 CG PRO A 31 8.860 2.271 4.745 1.00 0.00 C ATOM 494 CD PRO A 31 8.465 2.475 3.310 1.00 0.00 C ATOM 0 HA PRO A 31 8.675 -0.765 3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.030 0.477 5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.229 0.630 4.631 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.049 2.552 5.417 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.718 2.890 5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.714 3.258 3.208 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.317 2.769 2.697 1.00 0.00 H new ATOM 502 N GLU A 32 7.033 -1.635 5.063 1.00 0.00 N ATOM 503 CA GLU A 32 5.905 -2.250 5.766 1.00 0.00 C ATOM 504 C GLU A 32 5.242 -1.282 6.746 1.00 0.00 C ATOM 505 O GLU A 32 4.015 -1.248 6.856 1.00 0.00 O ATOM 506 CB GLU A 32 6.371 -3.500 6.517 1.00 0.00 C ATOM 507 CG GLU A 32 5.257 -4.206 7.273 1.00 0.00 C ATOM 508 CD GLU A 32 5.758 -5.388 8.080 1.00 0.00 C ATOM 509 OE1 GLU A 32 6.122 -5.191 9.258 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.783 -6.511 7.535 1.00 0.00 O ATOM 0 H GLU A 32 7.836 -2.252 4.942 1.00 0.00 H new ATOM 0 HA GLU A 32 5.165 -2.523 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.814 -4.197 5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.155 -3.220 7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.769 -3.496 7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.502 -4.548 6.565 1.00 0.00 H new ATOM 517 N ASP A 33 6.054 -0.500 7.453 1.00 0.00 N ATOM 518 CA ASP A 33 5.544 0.461 8.430 1.00 0.00 C ATOM 519 C ASP A 33 4.377 1.270 7.867 1.00 0.00 C ATOM 520 O ASP A 33 3.280 1.261 8.430 1.00 0.00 O ATOM 521 CB ASP A 33 6.661 1.400 8.882 1.00 0.00 C ATOM 522 CG ASP A 33 7.809 0.658 9.536 1.00 0.00 C ATOM 523 OD1 ASP A 33 7.718 0.371 10.748 1.00 0.00 O ATOM 524 OD2 ASP A 33 8.800 0.365 8.836 1.00 0.00 O ATOM 0 H ASP A 33 7.070 -0.512 7.368 1.00 0.00 H new ATOM 0 HA ASP A 33 5.178 -0.103 9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.034 1.957 8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.257 2.130 9.583 1.00 0.00 H new ATOM 529 N GLU A 34 4.614 1.969 6.761 1.00 0.00 N ATOM 530 CA GLU A 34 3.566 2.777 6.135 1.00 0.00 C ATOM 531 C GLU A 34 2.520 1.887 5.483 1.00 0.00 C ATOM 532 O GLU A 34 1.374 2.298 5.295 1.00 0.00 O ATOM 533 CB GLU A 34 4.142 3.730 5.082 1.00 0.00 C ATOM 534 CG GLU A 34 5.636 3.597 4.875 1.00 0.00 C ATOM 535 CD GLU A 34 6.439 4.355 5.915 1.00 0.00 C ATOM 536 OE1 GLU A 34 6.730 3.775 6.980 1.00 0.00 O ATOM 537 OE2 GLU A 34 6.777 5.530 5.662 1.00 0.00 O ATOM 0 H GLU A 34 5.514 1.994 6.281 1.00 0.00 H new ATOM 0 HA GLU A 34 3.103 3.368 6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.638 3.552 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.917 4.756 5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.911 2.543 4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.896 3.964 3.882 1.00 0.00 H new ATOM 544 N LEU A 35 2.916 0.666 5.136 1.00 0.00 N ATOM 545 CA LEU A 35 1.997 -0.263 4.498 1.00 0.00 C ATOM 546 C LEU A 35 0.863 -0.630 5.449 1.00 0.00 C ATOM 547 O LEU A 35 -0.275 -0.833 5.027 1.00 0.00 O ATOM 548 CB LEU A 35 2.719 -1.532 4.039 1.00 0.00 C ATOM 549 CG LEU A 35 1.816 -2.572 3.370 1.00 0.00 C ATOM 550 CD1 LEU A 35 1.251 -2.034 2.065 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.569 -3.867 3.127 1.00 0.00 C ATOM 0 H LEU A 35 3.857 0.302 5.285 1.00 0.00 H new ATOM 0 HA LEU A 35 1.583 0.233 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.509 -1.253 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.203 -1.991 4.901 1.00 0.00 H new ATOM 0 HG LEU A 35 0.986 -2.781 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.612 -2.789 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.666 -1.136 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.069 -1.791 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.906 -4.590 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.423 -3.675 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.920 -4.268 4.078 1.00 0.00 H new ATOM 563 N GLU A 36 1.188 -0.716 6.737 1.00 0.00 N ATOM 564 CA GLU A 36 0.201 -1.055 7.756 1.00 0.00 C ATOM 565 C GLU A 36 -0.949 -0.055 7.735 1.00 0.00 C ATOM 566 O GLU A 36 -2.097 -0.406 8.004 1.00 0.00 O ATOM 567 CB GLU A 36 0.853 -1.078 9.140 1.00 0.00 C ATOM 568 CG GLU A 36 -0.104 -1.454 10.260 1.00 0.00 C ATOM 569 CD GLU A 36 -0.666 -2.853 10.101 1.00 0.00 C ATOM 570 OE1 GLU A 36 -1.683 -3.008 9.392 1.00 0.00 O ATOM 571 OE2 GLU A 36 -0.089 -3.794 10.685 1.00 0.00 O ATOM 0 H GLU A 36 2.128 -0.555 7.099 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.195 -2.047 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.682 -1.786 9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.275 -0.095 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.415 -1.381 11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.925 -0.737 10.287 1.00 0.00 H new ATOM 578 N GLU A 37 -0.626 1.194 7.412 1.00 0.00 N ATOM 579 CA GLU A 37 -1.628 2.249 7.345 1.00 0.00 C ATOM 580 C GLU A 37 -2.633 1.956 6.239 1.00 0.00 C ATOM 581 O GLU A 37 -3.804 2.320 6.335 1.00 0.00 O ATOM 582 CB GLU A 37 -0.960 3.603 7.100 1.00 0.00 C ATOM 583 CG GLU A 37 0.088 3.962 8.141 1.00 0.00 C ATOM 584 CD GLU A 37 -0.466 3.952 9.553 1.00 0.00 C ATOM 585 OE1 GLU A 37 -1.123 4.943 9.938 1.00 0.00 O ATOM 586 OE2 GLU A 37 -0.244 2.956 10.271 1.00 0.00 O ATOM 0 H GLU A 37 0.322 1.499 7.193 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.155 2.285 8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.494 3.596 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.725 4.379 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.917 3.257 8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.491 4.950 7.920 1.00 0.00 H new ATOM 593 N ILE A 38 -2.161 1.293 5.188 1.00 0.00 N ATOM 594 CA ILE A 38 -3.013 0.937 4.061 1.00 0.00 C ATOM 595 C ILE A 38 -4.034 -0.117 4.473 1.00 0.00 C ATOM 596 O ILE A 38 -5.228 0.003 4.177 1.00 0.00 O ATOM 597 CB ILE A 38 -2.181 0.402 2.873 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.103 1.421 2.483 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.090 0.089 1.692 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.355 1.080 1.207 1.00 0.00 C ATOM 0 H ILE A 38 -1.191 0.991 5.094 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.531 1.843 3.746 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.685 -0.521 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.569 2.399 2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.386 1.505 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.492 -0.287 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.820 -0.666 1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.610 0.996 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.388 1.851 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.143 0.118 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.058 1.026 0.376 1.00 0.00 H new ATOM 612 N ARG A 39 -3.556 -1.144 5.169 1.00 0.00 N ATOM 613 CA ARG A 39 -4.413 -2.229 5.627 1.00 0.00 C ATOM 614 C ARG A 39 -5.355 -1.760 6.727 1.00 0.00 C ATOM 615 O ARG A 39 -6.551 -1.625 6.507 1.00 0.00 O ATOM 616 CB ARG A 39 -3.563 -3.391 6.140 1.00 0.00 C ATOM 617 CG ARG A 39 -2.562 -3.902 5.120 1.00 0.00 C ATOM 618 CD ARG A 39 -1.281 -4.370 5.787 1.00 0.00 C ATOM 619 NE ARG A 39 -1.491 -5.569 6.596 1.00 0.00 N ATOM 620 CZ ARG A 39 -0.515 -6.216 7.226 1.00 0.00 C ATOM 621 NH1 ARG A 39 0.735 -5.780 7.143 1.00 0.00 N ATOM 622 NH2 ARG A 39 -0.788 -7.301 7.940 1.00 0.00 N ATOM 0 H ARG A 39 -2.575 -1.246 5.428 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.012 -2.563 4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.028 -3.073 7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.220 -4.209 6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.002 -4.725 4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.334 -3.112 4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.529 -4.574 5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.888 -3.572 6.417 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.441 -5.930 6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.949 -4.947 6.595 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.482 -6.278 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.748 -7.640 8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.038 -7.796 8.423 1.00 0.00 H new ATOM 636 N GLU A 40 -4.800 -1.488 7.904 1.00 0.00 N ATOM 637 CA GLU A 40 -5.594 -1.049 9.049 1.00 0.00 C ATOM 638 C GLU A 40 -6.704 -0.083 8.631 1.00 0.00 C ATOM 639 O GLU A 40 -7.771 -0.060 9.236 1.00 0.00 O ATOM 640 CB GLU A 40 -4.691 -0.393 10.096 1.00 0.00 C ATOM 641 CG GLU A 40 -5.415 -0.021 11.382 1.00 0.00 C ATOM 642 CD GLU A 40 -4.475 0.506 12.447 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.187 1.722 12.436 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.027 -0.295 13.294 1.00 0.00 O ATOM 0 H GLU A 40 -3.800 -1.564 8.091 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.067 -1.930 9.482 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.873 -1.072 10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.246 0.505 9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.171 0.733 11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.939 -0.896 11.766 1.00 0.00 H new ATOM 651 N ALA A 41 -6.460 0.693 7.585 1.00 0.00 N ATOM 652 CA ALA A 41 -7.447 1.655 7.109 1.00 0.00 C ATOM 653 C ALA A 41 -8.710 0.975 6.571 1.00 0.00 C ATOM 654 O ALA A 41 -9.690 0.782 7.299 1.00 0.00 O ATOM 655 CB ALA A 41 -6.837 2.551 6.040 1.00 0.00 C ATOM 0 H ALA A 41 -5.591 0.677 7.051 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.745 2.261 7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.585 3.264 5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.987 3.090 6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.502 1.941 5.202 1.00 0.00 H new ATOM 661 N PHE A 42 -8.675 0.589 5.298 1.00 0.00 N ATOM 662 CA PHE A 42 -9.835 -0.026 4.658 1.00 0.00 C ATOM 663 C PHE A 42 -10.010 -1.493 5.036 1.00 0.00 C ATOM 664 O PHE A 42 -11.126 -2.014 5.010 1.00 0.00 O ATOM 665 CB PHE A 42 -9.732 0.122 3.141 1.00 0.00 C ATOM 666 CG PHE A 42 -10.193 1.462 2.641 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.426 2.598 2.850 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.398 1.586 1.972 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.854 3.832 2.397 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.832 2.817 1.518 1.00 0.00 C ATOM 671 CZ PHE A 42 -11.059 3.942 1.729 1.00 0.00 C ATOM 0 H PHE A 42 -7.861 0.690 4.692 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.718 0.499 5.021 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.697 -0.035 2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.325 -0.659 2.666 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.484 2.518 3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.007 0.710 1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.247 4.709 2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.775 2.899 0.998 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.395 4.905 1.373 1.00 0.00 H new ATOM 681 N LYS A 43 -8.918 -2.160 5.385 1.00 0.00 N ATOM 682 CA LYS A 43 -8.982 -3.570 5.755 1.00 0.00 C ATOM 683 C LYS A 43 -9.863 -3.784 6.985 1.00 0.00 C ATOM 684 O LYS A 43 -10.604 -4.763 7.050 1.00 0.00 O ATOM 685 CB LYS A 43 -7.581 -4.141 5.999 1.00 0.00 C ATOM 686 CG LYS A 43 -7.406 -5.572 5.507 1.00 0.00 C ATOM 687 CD LYS A 43 -7.693 -5.696 4.016 1.00 0.00 C ATOM 688 CE LYS A 43 -6.763 -4.822 3.186 1.00 0.00 C ATOM 689 NZ LYS A 43 -7.106 -4.868 1.738 1.00 0.00 N ATOM 0 H LYS A 43 -7.984 -1.753 5.420 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.431 -4.104 4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.848 -3.504 5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.365 -4.105 7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.388 -5.904 5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.073 -6.231 6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.583 -6.736 3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.728 -5.414 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.819 -3.793 3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.733 -5.151 3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.235 -4.962 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.726 -5.683 1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.597 -3.992 1.470 1.00 0.00 H new ATOM 703 N VAL A 44 -9.790 -2.878 7.966 1.00 0.00 N ATOM 704 CA VAL A 44 -10.613 -3.021 9.164 1.00 0.00 C ATOM 705 C VAL A 44 -12.077 -2.732 8.858 1.00 0.00 C ATOM 706 O VAL A 44 -12.967 -3.352 9.442 1.00 0.00 O ATOM 707 CB VAL A 44 -10.153 -2.115 10.323 1.00 0.00 C ATOM 708 CG1 VAL A 44 -8.690 -2.365 10.652 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.404 -0.650 9.999 1.00 0.00 C ATOM 0 H VAL A 44 -9.184 -2.058 7.954 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.496 -4.057 9.483 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.742 -2.364 11.206 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.385 -1.715 11.473 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.556 -3.406 10.944 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.078 -2.153 9.775 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.071 -0.031 10.832 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.852 -0.376 9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.469 -0.492 9.832 1.00 0.00 H new ATOM 719 N PHE A 45 -12.334 -1.789 7.945 1.00 0.00 N ATOM 720 CA PHE A 45 -13.712 -1.459 7.583 1.00 0.00 C ATOM 721 C PHE A 45 -14.452 -2.706 7.106 1.00 0.00 C ATOM 722 O PHE A 45 -15.682 -2.735 7.073 1.00 0.00 O ATOM 723 CB PHE A 45 -13.765 -0.364 6.510 1.00 0.00 C ATOM 724 CG PHE A 45 -13.371 0.998 7.015 1.00 0.00 C ATOM 725 CD1 PHE A 45 -13.911 1.505 8.189 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.463 1.776 6.315 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.553 2.757 8.652 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.101 3.029 6.774 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.645 3.519 7.944 1.00 0.00 C ATOM 0 H PHE A 45 -11.620 -1.252 7.453 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.206 -1.075 8.476 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.106 -0.641 5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.776 -0.313 6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -14.620 0.913 8.748 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.032 1.399 5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.983 3.139 9.566 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.393 3.624 6.217 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.361 4.496 8.305 1.00 0.00 H new ATOM 739 N ASP A 46 -13.689 -3.734 6.736 1.00 0.00 N ATOM 740 CA ASP A 46 -14.264 -4.995 6.281 1.00 0.00 C ATOM 741 C ASP A 46 -15.028 -5.658 7.423 1.00 0.00 C ATOM 742 O ASP A 46 -14.455 -6.400 8.222 1.00 0.00 O ATOM 743 CB ASP A 46 -13.156 -5.925 5.774 1.00 0.00 C ATOM 744 CG ASP A 46 -13.693 -7.178 5.108 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.918 -7.407 5.162 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.882 -7.933 4.529 1.00 0.00 O ATOM 0 H ASP A 46 -12.669 -3.716 6.743 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.956 -4.797 5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.530 -5.383 5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.517 -6.210 6.610 1.00 0.00 H new ATOM 751 N ARG A 47 -16.325 -5.379 7.493 1.00 0.00 N ATOM 752 CA ARG A 47 -17.179 -5.920 8.545 1.00 0.00 C ATOM 753 C ARG A 47 -17.108 -7.443 8.613 1.00 0.00 C ATOM 754 O ARG A 47 -16.991 -8.016 9.697 1.00 0.00 O ATOM 755 CB ARG A 47 -18.627 -5.477 8.325 1.00 0.00 C ATOM 756 CG ARG A 47 -18.770 -3.985 8.067 1.00 0.00 C ATOM 757 CD ARG A 47 -20.230 -3.574 7.953 1.00 0.00 C ATOM 758 NE ARG A 47 -20.958 -3.790 9.201 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.276 -3.656 9.324 1.00 0.00 C ATOM 760 NH1 ARG A 47 -23.013 -3.310 8.275 1.00 0.00 N ATOM 761 NH2 ARG A 47 -22.859 -3.867 10.496 1.00 0.00 N ATOM 0 H ARG A 47 -16.811 -4.777 6.829 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.815 -5.529 9.495 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.043 -6.026 7.480 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.218 -5.745 9.201 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.297 -3.428 8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.245 -3.722 7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.290 -2.522 7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.705 -4.142 7.153 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.424 -4.060 10.027 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.569 -3.146 7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -24.023 -3.208 8.373 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.297 -4.132 11.305 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.870 -3.764 10.589 1.00 0.00 H new ATOM 775 N ASP A 48 -17.177 -8.098 7.458 1.00 0.00 N ATOM 776 CA ASP A 48 -17.130 -9.556 7.410 1.00 0.00 C ATOM 777 C ASP A 48 -15.702 -10.076 7.562 1.00 0.00 C ATOM 778 O ASP A 48 -15.490 -11.238 7.913 1.00 0.00 O ATOM 779 CB ASP A 48 -17.728 -10.064 6.099 1.00 0.00 C ATOM 780 CG ASP A 48 -19.039 -9.384 5.758 1.00 0.00 C ATOM 781 OD1 ASP A 48 -20.069 -9.734 6.374 1.00 0.00 O ATOM 782 OD2 ASP A 48 -19.036 -8.502 4.874 1.00 0.00 O ATOM 0 H ASP A 48 -17.265 -7.646 6.548 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.719 -9.932 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.016 -9.899 5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.888 -11.140 6.169 1.00 0.00 H new ATOM 787 N GLY A 49 -14.728 -9.211 7.298 1.00 0.00 N ATOM 788 CA GLY A 49 -13.333 -9.598 7.419 1.00 0.00 C ATOM 789 C GLY A 49 -12.943 -10.725 6.480 1.00 0.00 C ATOM 790 O GLY A 49 -11.934 -11.396 6.695 1.00 0.00 O ATOM 0 H GLY A 49 -14.880 -8.247 7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.703 -8.731 7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.135 -9.904 8.446 1.00 0.00 H new ATOM 794 N ASN A 50 -13.739 -10.930 5.432 1.00 0.00 N ATOM 795 CA ASN A 50 -13.464 -11.984 4.457 1.00 0.00 C ATOM 796 C ASN A 50 -12.191 -11.678 3.679 1.00 0.00 C ATOM 797 O ASN A 50 -11.713 -12.501 2.899 1.00 0.00 O ATOM 798 CB ASN A 50 -14.632 -12.119 3.478 1.00 0.00 C ATOM 799 CG ASN A 50 -15.981 -12.060 4.164 1.00 0.00 C ATOM 800 OD1 ASN A 50 -16.940 -11.509 3.622 1.00 0.00 O ATOM 801 ND2 ASN A 50 -16.067 -12.633 5.360 1.00 0.00 N ATOM 0 H ASN A 50 -14.577 -10.382 5.237 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.334 -12.920 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.572 -11.323 2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.543 -13.063 2.941 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.953 -12.627 5.866 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.247 -13.078 5.772 1.00 0.00 H new ATOM 808 N GLY A 51 -11.650 -10.485 3.901 1.00 0.00 N ATOM 809 CA GLY A 51 -10.450 -10.072 3.203 1.00 0.00 C ATOM 810 C GLY A 51 -10.781 -9.146 2.053 1.00 0.00 C ATOM 811 O GLY A 51 -9.896 -8.536 1.453 1.00 0.00 O ATOM 0 H GLY A 51 -12.023 -9.796 4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.777 -9.569 3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.924 -10.949 2.828 1.00 0.00 H new ATOM 815 N PHE A 52 -12.074 -9.050 1.750 1.00 0.00 N ATOM 816 CA PHE A 52 -12.556 -8.196 0.674 1.00 0.00 C ATOM 817 C PHE A 52 -13.624 -7.242 1.199 1.00 0.00 C ATOM 818 O PHE A 52 -14.408 -7.598 2.082 1.00 0.00 O ATOM 819 CB PHE A 52 -13.134 -9.042 -0.464 1.00 0.00 C ATOM 820 CG PHE A 52 -12.375 -10.314 -0.715 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.296 -10.333 -1.583 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.743 -11.491 -0.083 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.597 -11.501 -1.815 1.00 0.00 C ATOM 824 CE2 PHE A 52 -12.048 -12.663 -0.311 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.973 -12.668 -1.178 1.00 0.00 C ATOM 0 H PHE A 52 -12.809 -9.559 2.241 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.715 -7.618 0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.171 -9.287 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.143 -8.448 -1.378 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.998 -9.424 -2.084 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.583 -11.492 0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.757 -11.502 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.345 -13.574 0.188 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.427 -13.582 -1.358 1.00 0.00 H new ATOM 835 N ILE A 53 -13.656 -6.032 0.651 1.00 0.00 N ATOM 836 CA ILE A 53 -14.625 -5.030 1.073 1.00 0.00 C ATOM 837 C ILE A 53 -15.748 -4.882 0.050 1.00 0.00 C ATOM 838 O ILE A 53 -15.517 -4.477 -1.089 1.00 0.00 O ATOM 839 CB ILE A 53 -13.953 -3.659 1.286 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.785 -3.781 2.269 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.969 -2.646 1.794 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.739 -2.701 2.099 1.00 0.00 C ATOM 0 H ILE A 53 -13.022 -5.723 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.045 -5.373 2.018 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.564 -3.312 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.172 -3.744 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.314 -4.756 2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.481 -1.683 1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.772 -2.539 1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.383 -2.990 2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.942 -2.849 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.325 -2.751 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.196 -1.724 2.255 1.00 0.00 H new ATOM 854 N SER A 54 -16.967 -5.215 0.465 1.00 0.00 N ATOM 855 CA SER A 54 -18.129 -5.116 -0.412 1.00 0.00 C ATOM 856 C SER A 54 -18.621 -3.674 -0.485 1.00 0.00 C ATOM 857 O SER A 54 -18.054 -2.786 0.149 1.00 0.00 O ATOM 858 CB SER A 54 -19.250 -6.031 0.083 1.00 0.00 C ATOM 859 OG SER A 54 -20.378 -5.971 -0.774 1.00 0.00 O ATOM 0 H SER A 54 -17.175 -5.556 1.403 1.00 0.00 H new ATOM 0 HA SER A 54 -17.833 -5.434 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.887 -7.057 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.541 -5.740 1.092 1.00 0.00 H new ATOM 0 HG SER A 54 -21.078 -6.567 -0.435 1.00 0.00 H new ATOM 865 N LYS A 55 -19.675 -3.442 -1.264 1.00 0.00 N ATOM 866 CA LYS A 55 -20.233 -2.103 -1.415 1.00 0.00 C ATOM 867 C LYS A 55 -20.733 -1.552 -0.083 1.00 0.00 C ATOM 868 O LYS A 55 -20.263 -0.515 0.385 1.00 0.00 O ATOM 869 CB LYS A 55 -21.379 -2.121 -2.432 1.00 0.00 C ATOM 870 CG LYS A 55 -20.925 -2.339 -3.869 1.00 0.00 C ATOM 871 CD LYS A 55 -20.605 -3.801 -4.148 1.00 0.00 C ATOM 872 CE LYS A 55 -21.854 -4.668 -4.107 1.00 0.00 C ATOM 873 NZ LYS A 55 -21.546 -6.102 -4.365 1.00 0.00 N ATOM 0 H LYS A 55 -20.158 -4.163 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.437 -1.450 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.081 -2.909 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.920 -1.177 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.705 -2.002 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -20.043 -1.730 -4.067 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.132 -3.890 -5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.886 -4.163 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.332 -4.569 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.568 -4.311 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.424 -6.658 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.113 -6.200 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.885 -6.451 -3.642 1.00 0.00 H new ATOM 887 N GLN A 56 -21.684 -2.258 0.525 1.00 0.00 N ATOM 888 CA GLN A 56 -22.265 -1.840 1.800 1.00 0.00 C ATOM 889 C GLN A 56 -21.189 -1.578 2.852 1.00 0.00 C ATOM 890 O GLN A 56 -21.333 -0.683 3.686 1.00 0.00 O ATOM 891 CB GLN A 56 -23.240 -2.902 2.311 1.00 0.00 C ATOM 892 CG GLN A 56 -24.702 -2.504 2.180 1.00 0.00 C ATOM 893 CD GLN A 56 -25.107 -2.206 0.749 1.00 0.00 C ATOM 894 OE1 GLN A 56 -25.983 -1.377 0.501 1.00 0.00 O ATOM 895 NE2 GLN A 56 -24.477 -2.885 -0.203 1.00 0.00 N ATOM 0 H GLN A 56 -22.070 -3.126 0.154 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.801 -0.907 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -23.074 -3.829 1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.022 -3.109 3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -25.328 -3.307 2.570 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.891 -1.625 2.796 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -23.757 -3.563 0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -24.713 -2.728 -1.183 1.00 0.00 H new ATOM 904 N GLU A 57 -20.114 -2.358 2.811 1.00 0.00 N ATOM 905 CA GLU A 57 -19.021 -2.204 3.767 1.00 0.00 C ATOM 906 C GLU A 57 -18.220 -0.941 3.467 1.00 0.00 C ATOM 907 O GLU A 57 -17.922 -0.147 4.363 1.00 0.00 O ATOM 908 CB GLU A 57 -18.109 -3.433 3.726 1.00 0.00 C ATOM 909 CG GLU A 57 -18.835 -4.732 4.036 1.00 0.00 C ATOM 910 CD GLU A 57 -17.939 -5.948 3.920 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.228 -6.258 4.898 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.949 -6.594 2.851 1.00 0.00 O ATOM 0 H GLU A 57 -19.975 -3.102 2.128 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.445 -2.113 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.654 -3.506 2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.298 -3.299 4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.244 -4.682 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.679 -4.842 3.355 1.00 0.00 H new ATOM 919 N LEU A 58 -17.869 -0.767 2.199 1.00 0.00 N ATOM 920 CA LEU A 58 -17.116 0.402 1.764 1.00 0.00 C ATOM 921 C LEU A 58 -17.904 1.671 2.080 1.00 0.00 C ATOM 922 O LEU A 58 -17.333 2.747 2.255 1.00 0.00 O ATOM 923 CB LEU A 58 -16.838 0.304 0.258 1.00 0.00 C ATOM 924 CG LEU A 58 -15.569 1.004 -0.250 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.726 2.516 -0.223 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.356 0.577 0.562 1.00 0.00 C ATOM 0 H LEU A 58 -18.095 -1.423 1.452 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.165 0.441 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.777 -0.751 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.694 0.719 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.414 0.701 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.812 2.983 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.561 2.806 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.918 2.844 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.468 1.085 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.508 0.841 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.221 -0.501 0.475 1.00 0.00 H new ATOM 938 N GLY A 59 -19.225 1.526 2.165 1.00 0.00 N ATOM 939 CA GLY A 59 -20.081 2.658 2.468 1.00 0.00 C ATOM 940 C GLY A 59 -19.881 3.153 3.883 1.00 0.00 C ATOM 941 O GLY A 59 -20.195 4.301 4.201 1.00 0.00 O ATOM 0 H GLY A 59 -19.717 0.643 2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.874 3.467 1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.124 2.373 2.327 1.00 0.00 H new ATOM 945 N THR A 60 -19.355 2.280 4.737 1.00 0.00 N ATOM 946 CA THR A 60 -19.097 2.627 6.127 1.00 0.00 C ATOM 947 C THR A 60 -17.790 3.401 6.236 1.00 0.00 C ATOM 948 O THR A 60 -17.597 4.200 7.153 1.00 0.00 O ATOM 949 CB THR A 60 -19.022 1.372 7.018 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.228 0.608 6.889 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.814 1.750 8.477 1.00 0.00 C ATOM 0 H THR A 60 -19.099 1.325 4.488 1.00 0.00 H new ATOM 0 HA THR A 60 -19.925 3.245 6.473 1.00 0.00 H new ATOM 0 HB THR A 60 -18.172 0.774 6.690 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.173 -0.189 7.457 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.765 0.846 9.084 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.883 2.307 8.579 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.646 2.369 8.815 1.00 0.00 H new ATOM 959 N ALA A 61 -16.893 3.151 5.287 1.00 0.00 N ATOM 960 CA ALA A 61 -15.601 3.826 5.255 1.00 0.00 C ATOM 961 C ALA A 61 -15.764 5.313 4.950 1.00 0.00 C ATOM 962 O ALA A 61 -15.239 6.165 5.668 1.00 0.00 O ATOM 963 CB ALA A 61 -14.697 3.171 4.222 1.00 0.00 C ATOM 0 H ALA A 61 -17.038 2.484 4.529 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.143 3.734 6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.734 3.682 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.547 2.123 4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.161 3.238 3.238 1.00 0.00 H new ATOM 969 N MET A 62 -16.491 5.615 3.878 1.00 0.00 N ATOM 970 CA MET A 62 -16.725 6.997 3.467 1.00 0.00 C ATOM 971 C MET A 62 -17.413 7.808 4.566 1.00 0.00 C ATOM 972 O MET A 62 -16.932 8.875 4.949 1.00 0.00 O ATOM 973 CB MET A 62 -17.569 7.034 2.191 1.00 0.00 C ATOM 974 CG MET A 62 -16.828 6.555 0.953 1.00 0.00 C ATOM 975 SD MET A 62 -15.414 7.597 0.546 1.00 0.00 S ATOM 976 CE MET A 62 -14.872 6.851 -0.990 1.00 0.00 C ATOM 0 H MET A 62 -16.930 4.919 3.276 1.00 0.00 H new ATOM 0 HA MET A 62 -15.752 7.450 3.275 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.456 6.416 2.335 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.915 8.054 2.024 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.487 5.532 1.111 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.515 6.535 0.107 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.890 7.241 -1.257 1.00 0.00 H new ATOM 0 HE2 MET A 62 -14.813 5.769 -0.868 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.584 7.088 -1.781 1.00 0.00 H new ATOM 986 N ARG A 63 -18.540 7.301 5.066 1.00 0.00 N ATOM 987 CA ARG A 63 -19.293 7.996 6.111 1.00 0.00 C ATOM 988 C ARG A 63 -18.408 8.325 7.309 1.00 0.00 C ATOM 989 O ARG A 63 -18.586 9.357 7.956 1.00 0.00 O ATOM 990 CB ARG A 63 -20.491 7.158 6.563 1.00 0.00 C ATOM 991 CG ARG A 63 -20.109 5.815 7.159 1.00 0.00 C ATOM 992 CD ARG A 63 -21.315 5.106 7.752 1.00 0.00 C ATOM 993 NE ARG A 63 -21.896 5.853 8.865 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.738 5.327 9.747 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.090 4.051 9.655 1.00 0.00 N ATOM 996 NH2 ARG A 63 -23.227 6.075 10.726 1.00 0.00 N ATOM 0 H ARG A 63 -18.950 6.416 4.767 1.00 0.00 H new ATOM 0 HA ARG A 63 -19.655 8.932 5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -21.061 7.724 7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -21.149 6.993 5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.660 5.188 6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.354 5.960 7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -22.069 4.964 6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.020 4.114 8.095 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.640 6.835 8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.714 3.471 8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -23.737 3.650 10.334 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.957 7.056 10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -23.874 5.670 11.403 1.00 0.00 H new ATOM 1010 N SER A 64 -17.463 7.438 7.608 1.00 0.00 N ATOM 1011 CA SER A 64 -16.548 7.645 8.726 1.00 0.00 C ATOM 1012 C SER A 64 -15.843 8.992 8.603 1.00 0.00 C ATOM 1013 O SER A 64 -15.597 9.671 9.600 1.00 0.00 O ATOM 1014 CB SER A 64 -15.516 6.519 8.790 1.00 0.00 C ATOM 1015 OG SER A 64 -14.639 6.693 9.889 1.00 0.00 O ATOM 0 H SER A 64 -17.311 6.571 7.093 1.00 0.00 H new ATOM 0 HA SER A 64 -17.132 7.640 9.647 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.025 5.559 8.876 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.942 6.494 7.863 1.00 0.00 H new ATOM 0 HG SER A 64 -13.990 5.959 9.909 1.00 0.00 H new ATOM 1021 N LEU A 65 -15.521 9.370 7.369 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.847 10.637 7.104 1.00 0.00 C ATOM 1023 C LEU A 65 -15.847 11.790 7.078 1.00 0.00 C ATOM 1024 O LEU A 65 -15.470 12.955 7.206 1.00 0.00 O ATOM 1025 CB LEU A 65 -14.099 10.570 5.770 1.00 0.00 C ATOM 1026 CG LEU A 65 -13.284 9.294 5.544 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.648 9.306 4.163 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.218 9.139 6.619 1.00 0.00 C ATOM 0 H LEU A 65 -15.717 8.816 6.535 1.00 0.00 H new ATOM 0 HA LEU A 65 -14.133 10.815 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.822 10.668 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.429 11.427 5.704 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.960 8.441 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.072 8.392 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.428 9.367 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.987 10.168 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.650 8.226 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.545 9.996 6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.694 9.084 7.598 1.00 0.00 H new ATOM 1040 N GLY A 66 -17.123 11.454 6.910 1.00 0.00 N ATOM 1041 CA GLY A 66 -18.160 12.469 6.867 1.00 0.00 C ATOM 1042 C GLY A 66 -18.888 12.501 5.536 1.00 0.00 C ATOM 1043 O GLY A 66 -19.495 13.511 5.179 1.00 0.00 O ATOM 0 H GLY A 66 -17.457 10.496 6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.878 12.284 7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.716 13.446 7.058 1.00 0.00 H new ATOM 1047 N TYR A 67 -18.829 11.393 4.803 1.00 0.00 N ATOM 1048 CA TYR A 67 -19.491 11.297 3.506 1.00 0.00 C ATOM 1049 C TYR A 67 -20.380 10.058 3.441 1.00 0.00 C ATOM 1050 O TYR A 67 -19.891 8.943 3.269 1.00 0.00 O ATOM 1051 CB TYR A 67 -18.456 11.249 2.381 1.00 0.00 C ATOM 1052 CG TYR A 67 -17.490 12.413 2.393 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -17.893 13.681 1.990 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -16.175 12.243 2.808 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -17.011 14.745 2.000 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -15.288 13.302 2.820 1.00 0.00 C ATOM 1057 CZ TYR A 67 -15.711 14.551 2.416 1.00 0.00 C ATOM 1058 OH TYR A 67 -14.830 15.608 2.427 1.00 0.00 O ATOM 0 H TYR A 67 -18.330 10.549 5.085 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.115 12.182 3.380 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.892 10.319 2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -18.975 11.229 1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -18.911 13.837 1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.841 11.267 3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -17.339 15.724 1.683 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.269 13.153 3.144 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.956 15.302 2.748 1.00 0.00 H new ATOM 1068 N MET A 68 -21.687 10.262 3.577 1.00 0.00 N ATOM 1069 CA MET A 68 -22.644 9.160 3.539 1.00 0.00 C ATOM 1070 C MET A 68 -23.060 8.839 2.100 1.00 0.00 C ATOM 1071 O MET A 68 -23.773 9.620 1.470 1.00 0.00 O ATOM 1072 CB MET A 68 -23.885 9.512 4.364 1.00 0.00 C ATOM 1073 CG MET A 68 -23.569 9.969 5.780 1.00 0.00 C ATOM 1074 SD MET A 68 -25.052 10.395 6.716 1.00 0.00 S ATOM 1075 CE MET A 68 -24.332 10.960 8.257 1.00 0.00 C ATOM 0 H MET A 68 -22.108 11.181 3.715 1.00 0.00 H new ATOM 0 HA MET A 68 -22.160 8.281 3.964 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.439 10.299 3.853 1.00 0.00 H new ATOM 0 HB3 MET A 68 -24.539 8.641 4.410 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.029 9.179 6.301 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.907 10.834 5.740 1.00 0.00 H new ATOM 0 HE1 MET A 68 -25.126 11.259 8.941 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.752 10.153 8.705 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.680 11.812 8.063 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.622 7.683 1.558 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.959 7.273 0.198 1.00 0.00 C ATOM 1087 C PRO A 69 -24.250 6.462 0.141 1.00 0.00 C ATOM 1088 O PRO A 69 -24.528 5.662 1.035 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.766 6.402 -0.182 1.00 0.00 C ATOM 1090 CG PRO A 69 -21.355 5.750 1.097 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.756 6.684 2.217 1.00 0.00 C ATOM 0 HA PRO A 69 -23.131 8.120 -0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.039 5.662 -0.935 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.956 6.999 -0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.841 4.781 1.210 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.280 5.571 1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -22.288 6.154 3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.886 7.152 2.677 1.00 0.00 H new ATOM 1099 N ASN A 70 -25.034 6.669 -0.913 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.290 5.948 -1.076 1.00 0.00 C ATOM 1101 C ASN A 70 -26.079 4.675 -1.889 1.00 0.00 C ATOM 1102 O ASN A 70 -24.963 4.386 -2.319 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.341 6.835 -1.745 1.00 0.00 C ATOM 1104 CG ASN A 70 -26.835 7.460 -3.027 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.997 6.901 -4.110 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -26.218 8.626 -2.909 1.00 0.00 N ATOM 0 H ASN A 70 -24.822 7.327 -1.663 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.651 5.671 -0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -28.230 6.242 -1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.642 7.622 -1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -25.855 9.097 -3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -26.106 9.053 -1.989 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.152 3.920 -2.101 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.073 2.673 -2.857 1.00 0.00 C ATOM 1115 C GLU A 71 -26.548 2.911 -4.271 1.00 0.00 C ATOM 1116 O GLU A 71 -26.019 1.998 -4.905 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.446 1.999 -2.914 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.522 2.855 -3.566 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.872 2.166 -3.601 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.148 1.449 -4.586 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.654 2.344 -2.644 1.00 0.00 O ATOM 0 H GLU A 71 -28.086 4.149 -1.761 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.372 2.016 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.358 1.062 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.759 1.747 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.612 3.796 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.218 3.102 -4.583 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.697 4.135 -4.764 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.237 4.476 -6.107 1.00 0.00 C ATOM 1130 C VAL A 72 -24.801 4.998 -6.097 1.00 0.00 C ATOM 1131 O VAL A 72 -24.111 4.955 -7.116 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.147 5.537 -6.757 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -26.881 5.631 -8.252 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -28.610 5.228 -6.483 1.00 0.00 C ATOM 0 H VAL A 72 -27.131 4.906 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.277 3.556 -6.690 1.00 0.00 H new ATOM 0 HB VAL A 72 -26.917 6.505 -6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -27.534 6.386 -8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -25.841 5.909 -8.420 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -27.078 4.665 -8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -29.236 5.988 -6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -28.859 4.250 -6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -28.786 5.224 -5.407 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.354 5.484 -4.943 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.003 6.030 -4.814 1.00 0.00 C ATOM 1146 C GLU A 73 -21.979 4.957 -4.455 1.00 0.00 C ATOM 1147 O GLU A 73 -20.978 4.793 -5.151 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.978 7.140 -3.761 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.494 8.476 -4.270 1.00 0.00 C ATOM 1150 CD GLU A 73 -22.626 9.056 -5.369 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -21.635 9.743 -5.041 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -22.935 8.824 -6.557 1.00 0.00 O ATOM 0 H GLU A 73 -24.904 5.512 -4.085 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.728 6.439 -5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.578 6.831 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.956 7.267 -3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.510 8.350 -4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.544 9.182 -3.441 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.229 4.228 -3.371 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.306 3.188 -2.921 1.00 0.00 C ATOM 1161 C LEU A 74 -21.006 2.181 -4.034 1.00 0.00 C ATOM 1162 O LEU A 74 -20.052 1.408 -3.939 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.864 2.480 -1.678 1.00 0.00 C ATOM 1164 CG LEU A 74 -22.702 1.222 -1.933 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.120 0.588 -0.617 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.925 1.540 -2.769 1.00 0.00 C ATOM 0 H LEU A 74 -23.060 4.337 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.364 3.668 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.027 2.209 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -22.476 3.192 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 74 -22.085 0.515 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -23.714 -0.304 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -22.232 0.313 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.714 1.299 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.500 0.629 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -24.543 2.270 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.613 1.950 -3.729 1.00 0.00 H new ATOM 1178 N GLU A 75 -21.824 2.194 -5.083 1.00 0.00 N ATOM 1179 CA GLU A 75 -21.636 1.289 -6.213 1.00 0.00 C ATOM 1180 C GLU A 75 -20.563 1.804 -7.169 1.00 0.00 C ATOM 1181 O GLU A 75 -19.677 1.055 -7.582 1.00 0.00 O ATOM 1182 CB GLU A 75 -22.948 1.099 -6.978 1.00 0.00 C ATOM 1183 CG GLU A 75 -23.959 0.224 -6.258 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.143 -0.137 -7.134 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.097 0.666 -7.205 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -25.113 -1.222 -7.753 1.00 0.00 O ATOM 0 H GLU A 75 -22.623 2.821 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.310 0.331 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.394 2.076 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -22.729 0.659 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -23.469 -0.689 -5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.315 0.743 -5.368 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.646 3.085 -7.519 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.688 3.686 -8.442 1.00 0.00 C ATOM 1195 C VAL A 76 -18.303 3.826 -7.820 1.00 0.00 C ATOM 1196 O VAL A 76 -17.306 3.932 -8.532 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.163 5.068 -8.935 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.501 4.949 -9.647 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.252 6.054 -7.781 1.00 0.00 C ATOM 0 H VAL A 76 -21.364 3.725 -7.179 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.622 3.007 -9.292 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.429 5.447 -9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -21.821 5.934 -9.988 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.399 4.284 -10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.244 4.544 -8.960 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.589 7.021 -8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.961 5.684 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.270 6.165 -7.321 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.246 3.833 -6.495 1.00 0.00 N ATOM 1210 CA ILE A 77 -16.976 3.961 -5.789 1.00 0.00 C ATOM 1211 C ILE A 77 -16.244 2.624 -5.722 1.00 0.00 C ATOM 1212 O ILE A 77 -15.015 2.580 -5.651 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.187 4.503 -4.362 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -17.884 5.862 -4.418 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.858 4.615 -3.629 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -18.921 6.050 -3.336 1.00 0.00 C ATOM 0 H ILE A 77 -19.061 3.752 -5.888 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.366 4.669 -6.351 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.820 3.805 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.135 6.650 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.360 5.978 -5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.028 4.999 -2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.392 3.631 -3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.200 5.295 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.376 7.036 -3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.690 5.284 -3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.446 5.966 -2.358 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.006 1.536 -5.755 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.436 0.196 -5.687 1.00 0.00 C ATOM 1230 C ILE A 78 -15.924 -0.269 -7.051 1.00 0.00 C ATOM 1231 O ILE A 78 -15.018 -1.099 -7.128 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.471 -0.821 -5.146 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.586 -0.702 -3.624 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.109 -2.249 -5.544 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.332 -1.116 -2.880 1.00 0.00 C ATOM 0 H ILE A 78 -18.023 1.557 -5.829 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.591 0.244 -5.000 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.437 -0.587 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.825 0.330 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.419 -1.317 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -17.856 -2.937 -5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.082 -2.328 -6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.130 -2.503 -5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.491 -1.004 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.102 -2.157 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.499 -0.485 -3.191 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.484 0.280 -8.125 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.080 -0.114 -9.471 1.00 0.00 C ATOM 1249 C GLN A 79 -14.792 0.587 -9.895 1.00 0.00 C ATOM 1250 O GLN A 79 -14.204 0.249 -10.922 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.192 0.194 -10.478 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.451 1.679 -10.666 1.00 0.00 C ATOM 1253 CD GLN A 79 -18.461 1.959 -11.761 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -18.583 1.197 -12.720 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -19.192 3.060 -11.625 1.00 0.00 N ATOM 0 H GLN A 79 -17.213 0.993 -8.091 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.896 -1.188 -9.456 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -16.930 -0.245 -11.441 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.113 -0.288 -10.148 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.810 2.103 -9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.513 2.181 -10.905 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -19.058 3.664 -10.814 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.887 3.301 -12.332 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.356 1.563 -9.104 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.135 2.301 -9.413 1.00 0.00 C ATOM 1266 C ARG A 80 -11.907 1.496 -9.007 1.00 0.00 C ATOM 1267 O ARG A 80 -10.858 1.579 -9.645 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.128 3.654 -8.698 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.320 4.538 -9.034 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.250 5.069 -10.458 1.00 0.00 C ATOM 1271 NE ARG A 80 -14.605 4.050 -11.445 1.00 0.00 N ATOM 1272 CZ ARG A 80 -15.130 4.326 -12.635 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -15.355 5.583 -12.992 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -15.431 3.341 -13.472 1.00 0.00 N ATOM 0 H ARG A 80 -14.827 1.860 -8.249 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.106 2.472 -10.489 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.107 3.484 -7.622 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.211 4.185 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.241 3.970 -8.903 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.360 5.375 -8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.922 5.921 -10.560 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.242 5.432 -10.660 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.441 3.072 -11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.125 6.344 -12.353 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.758 5.789 -13.906 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.260 2.372 -13.202 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.834 3.553 -14.385 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.047 0.716 -7.940 1.00 0.00 N ATOM 1289 CA LEU A 81 -10.953 -0.106 -7.444 1.00 0.00 C ATOM 1290 C LEU A 81 -11.101 -1.545 -7.927 1.00 0.00 C ATOM 1291 O LEU A 81 -10.116 -2.202 -8.265 1.00 0.00 O ATOM 1292 CB LEU A 81 -10.916 -0.066 -5.914 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.274 1.286 -5.288 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.166 1.218 -3.772 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.379 2.389 -5.837 1.00 0.00 C ATOM 0 H LEU A 81 -12.910 0.637 -7.402 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.017 0.295 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.604 -0.820 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.917 -0.348 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.306 1.520 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.424 2.187 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.851 0.460 -3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.145 0.958 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.651 3.340 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.338 2.160 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.507 2.457 -6.917 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.340 -2.026 -7.953 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.628 -3.385 -8.397 1.00 0.00 C ATOM 1309 C ASP A 82 -12.490 -3.504 -9.912 1.00 0.00 C ATOM 1310 O ASP A 82 -13.476 -3.431 -10.647 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.037 -3.794 -7.962 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.392 -5.198 -8.403 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.488 -6.057 -8.428 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.576 -5.438 -8.720 1.00 0.00 O ATOM 0 H ASP A 82 -13.163 -1.493 -7.671 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.904 -4.056 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.113 -3.727 -6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.760 -3.092 -8.376 1.00 0.00 H new ATOM 1319 N MET A 83 -11.256 -3.682 -10.369 1.00 0.00 N ATOM 1320 CA MET A 83 -10.969 -3.806 -11.794 1.00 0.00 C ATOM 1321 C MET A 83 -11.358 -5.185 -12.327 1.00 0.00 C ATOM 1322 O MET A 83 -11.892 -5.302 -13.431 1.00 0.00 O ATOM 1323 CB MET A 83 -9.484 -3.546 -12.049 1.00 0.00 C ATOM 1324 CG MET A 83 -8.980 -2.258 -11.416 1.00 0.00 C ATOM 1325 SD MET A 83 -7.222 -1.979 -11.702 1.00 0.00 S ATOM 1326 CE MET A 83 -7.197 -1.772 -13.481 1.00 0.00 C ATOM 0 H MET A 83 -10.433 -3.744 -9.769 1.00 0.00 H new ATOM 0 HA MET A 83 -11.566 -3.063 -12.324 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.904 -4.384 -11.662 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.309 -3.507 -13.124 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.546 -1.417 -11.815 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.168 -2.288 -10.343 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.260 -1.301 -13.779 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.283 -2.746 -13.962 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.033 -1.142 -13.786 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.089 -6.225 -11.543 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.408 -7.592 -11.951 1.00 0.00 C ATOM 1338 C ASP A 84 -12.917 -7.829 -11.985 1.00 0.00 C ATOM 1339 O ASP A 84 -13.400 -8.707 -12.700 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.738 -8.600 -11.017 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.204 -8.459 -9.583 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -11.065 -7.353 -9.019 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -11.703 -9.456 -9.022 1.00 0.00 O ATOM 0 H ASP A 84 -10.652 -6.149 -10.624 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.023 -7.732 -12.961 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.949 -9.611 -11.367 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.657 -8.467 -11.059 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.656 -7.042 -11.208 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.103 -7.173 -11.178 1.00 0.00 C ATOM 1350 C GLY A 85 -15.593 -8.283 -10.263 1.00 0.00 C ATOM 1351 O GLY A 85 -16.458 -9.070 -10.647 1.00 0.00 O ATOM 0 H GLY A 85 -13.279 -6.316 -10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.539 -6.228 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.464 -7.361 -12.189 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.043 -8.349 -9.053 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.452 -9.364 -8.087 1.00 0.00 C ATOM 1357 C ASP A 86 -16.448 -8.786 -7.087 1.00 0.00 C ATOM 1358 O ASP A 86 -16.782 -9.424 -6.088 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.238 -9.926 -7.344 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.572 -8.895 -6.456 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.697 -8.157 -6.953 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -13.928 -8.824 -5.260 1.00 0.00 O ATOM 0 H ASP A 86 -14.317 -7.715 -8.720 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.933 -10.173 -8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.549 -10.776 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.514 -10.299 -8.068 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.919 -7.573 -7.364 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.875 -6.924 -6.484 1.00 0.00 C ATOM 1369 C GLY A 87 -17.228 -6.324 -5.249 1.00 0.00 C ATOM 1370 O GLY A 87 -17.831 -5.494 -4.568 1.00 0.00 O ATOM 0 H GLY A 87 -16.655 -7.027 -8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.393 -6.139 -7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.629 -7.649 -6.177 1.00 0.00 H new ATOM 1374 N GLN A 88 -16.001 -6.745 -4.958 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.278 -6.244 -3.794 1.00 0.00 C ATOM 1376 C GLN A 88 -13.881 -5.764 -4.180 1.00 0.00 C ATOM 1377 O GLN A 88 -13.363 -6.118 -5.239 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.181 -7.333 -2.727 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.532 -7.879 -2.294 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.420 -8.949 -1.227 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.437 -8.654 -0.031 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -16.305 -10.200 -1.655 1.00 0.00 N ATOM 0 H GLN A 88 -15.487 -7.431 -5.511 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.831 -5.395 -3.391 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.572 -8.152 -3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.664 -6.932 -1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.146 -7.060 -1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.047 -8.291 -3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.295 -10.398 -2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.226 -10.964 -0.983 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.279 -4.955 -3.313 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.944 -4.421 -3.558 1.00 0.00 C ATOM 1393 C VAL A 89 -10.875 -5.314 -2.937 1.00 0.00 C ATOM 1394 O VAL A 89 -10.923 -5.619 -1.745 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.795 -2.995 -2.995 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.423 -2.428 -3.325 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.895 -2.091 -3.528 1.00 0.00 C ATOM 0 H VAL A 89 -13.696 -4.654 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.809 -4.391 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.890 -3.043 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.338 -1.420 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.652 -3.062 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.294 -2.395 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.772 -1.088 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.836 -2.049 -4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.867 -2.487 -3.232 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.909 -5.728 -3.752 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.830 -6.588 -3.281 1.00 0.00 C ATOM 1409 C ASP A 90 -7.648 -5.765 -2.775 1.00 0.00 C ATOM 1410 O ASP A 90 -7.406 -4.654 -3.247 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.376 -7.534 -4.393 1.00 0.00 C ATOM 1412 CG ASP A 90 -9.462 -8.513 -4.792 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -10.389 -8.105 -5.523 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -9.390 -9.686 -4.370 1.00 0.00 O ATOM 0 H ASP A 90 -9.852 -5.482 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.213 -7.179 -2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.077 -6.951 -5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.496 -8.085 -4.062 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.925 -6.317 -1.807 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.770 -5.645 -1.219 1.00 0.00 C ATOM 1421 C PHE A 91 -4.819 -5.113 -2.290 1.00 0.00 C ATOM 1422 O PHE A 91 -4.515 -3.920 -2.319 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.029 -6.607 -0.286 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.856 -5.993 0.427 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.979 -4.778 1.083 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.629 -6.636 0.443 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.903 -4.217 1.741 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.547 -6.080 1.100 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.685 -4.869 1.750 1.00 0.00 C ATOM 0 H PHE A 91 -7.120 -7.236 -1.410 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.134 -4.791 -0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.731 -6.989 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.681 -7.462 -0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.929 -4.264 1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.516 -7.583 -0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.013 -3.270 2.248 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.596 -6.591 1.105 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.842 -4.432 2.265 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.360 -5.999 -3.168 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.429 -5.622 -4.233 1.00 0.00 C ATOM 1441 C GLU A 92 -3.941 -4.431 -5.042 1.00 0.00 C ATOM 1442 O GLU A 92 -3.252 -3.421 -5.181 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.183 -6.808 -5.165 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.482 -7.978 -4.493 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.206 -9.118 -5.452 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -1.164 -9.076 -6.140 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -3.030 -10.054 -5.516 1.00 0.00 O ATOM 0 H GLU A 92 -4.617 -6.986 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.493 -5.328 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.138 -7.149 -5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.584 -6.475 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.542 -7.635 -4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.097 -8.341 -3.669 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.142 -4.555 -5.588 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.728 -3.480 -6.382 1.00 0.00 C ATOM 1456 C GLU A 93 -5.733 -2.158 -5.614 1.00 0.00 C ATOM 1457 O GLU A 93 -5.734 -1.082 -6.214 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.154 -3.850 -6.796 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.227 -5.094 -7.667 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.651 -5.551 -7.914 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.327 -4.952 -8.775 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.090 -6.510 -7.246 1.00 0.00 O ATOM 0 H GLU A 93 -5.729 -5.384 -5.498 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.115 -3.349 -7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.755 -4.007 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.597 -3.012 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.743 -4.893 -8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.668 -5.900 -7.191 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.717 -2.245 -4.287 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.745 -1.053 -3.447 1.00 0.00 C ATOM 1471 C PHE A 94 -4.342 -0.544 -3.116 1.00 0.00 C ATOM 1472 O PHE A 94 -4.128 0.664 -3.013 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.512 -1.335 -2.154 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.752 -0.109 -1.320 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.713 0.819 -1.689 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.017 0.117 -0.169 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.934 1.949 -0.926 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.234 1.245 0.599 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.194 2.161 0.221 1.00 0.00 C ATOM 0 H PHE A 94 -5.685 -3.125 -3.772 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.253 -0.273 -4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.471 -1.790 -2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.957 -2.064 -1.563 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.296 0.657 -2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.265 -0.597 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.684 2.666 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.653 1.409 1.494 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.367 3.042 0.821 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.387 -1.457 -2.948 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.021 -1.064 -2.616 1.00 0.00 C ATOM 1491 C VAL A 95 -1.376 -0.281 -3.752 1.00 0.00 C ATOM 1492 O VAL A 95 -0.540 0.590 -3.516 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.129 -2.273 -2.270 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.684 -3.018 -1.073 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.975 -3.203 -3.461 1.00 0.00 C ATOM 0 H VAL A 95 -3.532 -2.463 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.099 -0.429 -1.734 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.138 -1.897 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.041 -3.868 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.721 -2.349 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.689 -3.374 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.341 -4.045 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.955 -3.571 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.518 -2.661 -4.289 1.00 0.00 H new ATOM 1505 N THR A 96 -1.762 -0.597 -4.984 1.00 0.00 N ATOM 1506 CA THR A 96 -1.213 0.081 -6.148 1.00 0.00 C ATOM 1507 C THR A 96 -1.823 1.469 -6.321 1.00 0.00 C ATOM 1508 O THR A 96 -1.109 2.445 -6.550 1.00 0.00 O ATOM 1509 CB THR A 96 -1.447 -0.734 -7.435 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.902 -2.051 -7.287 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.809 -0.050 -8.635 1.00 0.00 C ATOM 0 H THR A 96 -2.452 -1.317 -5.200 1.00 0.00 H new ATOM 0 HA THR A 96 -0.141 0.179 -5.977 1.00 0.00 H new ATOM 0 HB THR A 96 -2.522 -0.801 -7.604 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.056 -2.563 -8.108 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.988 -0.645 -9.531 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.245 0.940 -8.764 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.264 0.045 -8.471 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.147 1.550 -6.212 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.846 2.823 -6.361 1.00 0.00 C ATOM 1521 C LEU A 97 -3.451 3.805 -5.260 1.00 0.00 C ATOM 1522 O LEU A 97 -3.714 5.003 -5.363 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.362 2.603 -6.350 1.00 0.00 C ATOM 1524 CG LEU A 97 -5.904 1.758 -7.506 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.384 1.473 -7.310 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -5.669 2.459 -8.837 1.00 0.00 C ATOM 0 H LEU A 97 -3.755 0.753 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.555 3.253 -7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.637 2.124 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.855 3.575 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.368 0.809 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.752 0.871 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.529 0.929 -6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.934 2.413 -7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.061 1.843 -9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.178 3.423 -8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.600 2.613 -8.983 1.00 0.00 H new ATOM 1538 N LEU A 98 -2.819 3.291 -4.207 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.392 4.128 -3.090 1.00 0.00 C ATOM 1540 C LEU A 98 -0.874 4.293 -3.078 1.00 0.00 C ATOM 1541 O LEU A 98 -0.351 5.277 -2.556 1.00 0.00 O ATOM 1542 CB LEU A 98 -2.867 3.524 -1.763 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.790 4.455 -0.549 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -3.895 4.126 0.443 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -1.430 4.350 0.127 1.00 0.00 C ATOM 0 H LEU A 98 -2.592 2.302 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.841 5.113 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.900 3.196 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.272 2.635 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.924 5.479 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.826 4.796 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.865 4.251 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.787 3.095 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.398 5.020 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.267 3.325 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.649 4.630 -0.580 1.00 0.00 H new ATOM 1557 N GLY A 99 -0.172 3.332 -3.674 1.00 0.00 N ATOM 1558 CA GLY A 99 1.278 3.388 -3.711 1.00 0.00 C ATOM 1559 C GLY A 99 1.927 2.116 -3.190 1.00 0.00 C ATOM 1560 O GLY A 99 2.025 1.928 -1.977 1.00 0.00 O ATOM 0 H GLY A 99 -0.582 2.517 -4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.605 3.564 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.620 4.235 -3.117 1.00 0.00 H new ATOM 1564 N PRO A 100 2.385 1.217 -4.084 1.00 0.00 N ATOM 1565 CA PRO A 100 3.027 -0.037 -3.678 1.00 0.00 C ATOM 1566 C PRO A 100 4.428 0.183 -3.117 1.00 0.00 C ATOM 1567 O PRO A 100 5.389 0.195 -3.914 1.00 0.00 O ATOM 1568 CB PRO A 100 3.088 -0.840 -4.978 1.00 0.00 C ATOM 1569 CG PRO A 100 3.129 0.187 -6.055 1.00 0.00 C ATOM 1570 CD PRO A 100 2.314 1.350 -5.553 1.00 0.00 C ATOM 1571 OXT PRO A 100 4.553 0.341 -1.885 1.00 0.00 O ATOM 0 HA PRO A 100 2.479 -0.536 -2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.970 -1.480 -5.007 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.219 -1.490 -5.083 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.154 0.491 -6.265 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.717 -0.206 -6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.725 2.302 -5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.285 1.302 -5.910 1.00 0.00 H new TER 1579 PRO A 100 HETATM 1580 CA CA A 201 -16.495 -8.700 3.670 1.00 0.00 CA HETATM 1581 CA CA A 202 -11.358 -5.755 -7.049 1.00 0.00 CA