USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 761 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.175 K(o=-0.18,f=-0.86) USER MOD Single : A 4 GLN : amide:sc= -0.0323 K(o=-0.032,f=-0.83) USER MOD Single : A 6 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.92!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 150:sc= -0.178 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= -0.042 (180deg=-0.257) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0.197 X(o=0.2,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.027) USER MOD Single : A 31 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.6!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.4!) USER MOD Single : A 48 TYR OH : rot -117:sc= -1.76 USER MOD Single : A 50 MET CE :methyl -136:sc= -5.66! (180deg=-8.77!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 61 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-3) USER MOD Single : A 65 TYR OH : rot -70:sc= 0.501 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 172:sc= 0.0919 USER MOD Single : A 77 MET CE :methyl -177:sc= -14! (180deg=-14.2!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.97! K(o=-2!,f=-2.6) USER MOD Single : A 87 TYR OH : rot -124:sc= 1.16 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 6:sc= 0.944 USER MOD Single : A 100 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.231 4.156 19.527 1.00 0.00 N ATOM 2 CA MET A 1 -18.906 3.591 19.332 1.00 0.00 C ATOM 3 C MET A 1 -18.020 4.540 18.521 1.00 0.00 C ATOM 4 O MET A 1 -18.318 4.837 17.365 1.00 0.00 O ATOM 5 CB MET A 1 -19.024 2.252 18.601 1.00 0.00 C ATOM 6 CG MET A 1 -18.249 1.157 19.335 1.00 0.00 C ATOM 7 SD MET A 1 -19.121 0.681 20.818 1.00 0.00 S ATOM 8 CE MET A 1 -17.786 -0.067 21.737 1.00 0.00 C ATOM 0 H1 MET A 1 -20.813 3.494 20.079 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.152 5.058 20.039 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.678 4.321 18.602 1.00 0.00 H new ATOM 0 HA MET A 1 -18.447 3.442 20.309 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.073 1.968 18.521 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.643 2.353 17.585 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.122 0.292 18.684 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.251 1.514 19.589 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.159 -0.422 22.698 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.382 -0.907 21.172 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.001 0.670 21.903 1.00 0.00 H new ATOM 18 N GLN A 2 -16.949 4.988 19.159 1.00 0.00 N ATOM 19 CA GLN A 2 -16.018 5.896 18.512 1.00 0.00 C ATOM 20 C GLN A 2 -15.392 5.229 17.285 1.00 0.00 C ATOM 21 O GLN A 2 -14.354 4.578 17.391 1.00 0.00 O ATOM 22 CB GLN A 2 -14.940 6.366 19.491 1.00 0.00 C ATOM 23 CG GLN A 2 -15.005 7.881 19.693 1.00 0.00 C ATOM 24 CD GLN A 2 -13.743 8.560 19.158 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.645 8.033 19.231 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.960 9.756 18.619 1.00 0.00 N ATOM 0 H GLN A 2 -16.705 4.739 20.118 1.00 0.00 H new ATOM 0 HA GLN A 2 -16.570 6.776 18.181 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.069 5.862 20.449 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.956 6.088 19.115 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.882 8.282 19.184 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.121 8.105 20.753 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.905 10.139 18.590 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -13.181 10.291 18.234 1.00 0.00 H new ATOM 35 N GLU A 3 -16.050 5.415 16.150 1.00 0.00 N ATOM 36 CA GLU A 3 -15.571 4.840 14.905 1.00 0.00 C ATOM 37 C GLU A 3 -14.341 5.602 14.407 1.00 0.00 C ATOM 38 O GLU A 3 -14.311 6.831 14.444 1.00 0.00 O ATOM 39 CB GLU A 3 -16.675 4.828 13.846 1.00 0.00 C ATOM 40 CG GLU A 3 -16.800 3.447 13.200 1.00 0.00 C ATOM 41 CD GLU A 3 -18.195 3.245 12.603 1.00 0.00 C ATOM 42 OE1 GLU A 3 -18.421 3.780 11.497 1.00 0.00 O ATOM 43 OE2 GLU A 3 -19.003 2.560 13.268 1.00 0.00 O ATOM 0 H GLU A 3 -16.911 5.956 16.067 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.282 3.806 15.092 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.625 5.107 14.302 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.458 5.573 13.081 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.047 3.337 12.419 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.603 2.675 13.944 1.00 0.00 H new ATOM 50 N GLN A 4 -13.357 4.840 13.952 1.00 0.00 N ATOM 51 CA GLN A 4 -12.128 5.429 13.447 1.00 0.00 C ATOM 52 C GLN A 4 -12.123 5.415 11.917 1.00 0.00 C ATOM 53 O GLN A 4 -11.918 4.370 11.302 1.00 0.00 O ATOM 54 CB GLN A 4 -10.903 4.703 14.005 1.00 0.00 C ATOM 55 CG GLN A 4 -10.775 4.924 15.514 1.00 0.00 C ATOM 56 CD GLN A 4 -9.818 3.906 16.138 1.00 0.00 C ATOM 57 OE1 GLN A 4 -9.783 2.743 15.772 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.046 4.408 17.098 1.00 0.00 N ATOM 0 H GLN A 4 -13.386 3.821 13.922 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.080 6.465 13.782 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.981 3.636 13.795 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.004 5.061 13.504 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.414 5.934 15.708 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.756 4.841 15.982 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.127 5.392 17.355 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.373 3.809 17.577 1.00 0.00 H new ATOM 67 N ALA A 5 -12.352 6.589 11.346 1.00 0.00 N ATOM 68 CA ALA A 5 -12.376 6.725 9.899 1.00 0.00 C ATOM 69 C ALA A 5 -11.066 6.188 9.319 1.00 0.00 C ATOM 70 O ALA A 5 -9.989 6.686 9.642 1.00 0.00 O ATOM 71 CB ALA A 5 -12.621 8.189 9.528 1.00 0.00 C ATOM 0 H ALA A 5 -12.522 7.454 11.859 1.00 0.00 H new ATOM 0 HA ALA A 5 -13.190 6.140 9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -12.639 8.291 8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -13.577 8.513 9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -11.822 8.807 9.937 1.00 0.00 H new ATOM 77 N GLN A 6 -11.202 5.178 8.471 1.00 0.00 N ATOM 78 CA GLN A 6 -10.043 4.568 7.842 1.00 0.00 C ATOM 79 C GLN A 6 -10.267 4.433 6.335 1.00 0.00 C ATOM 80 O GLN A 6 -10.115 3.348 5.776 1.00 0.00 O ATOM 81 CB GLN A 6 -9.729 3.210 8.474 1.00 0.00 C ATOM 82 CG GLN A 6 -10.893 2.236 8.288 1.00 0.00 C ATOM 83 CD GLN A 6 -11.117 1.401 9.551 1.00 0.00 C ATOM 84 OE1 GLN A 6 -10.941 1.859 10.668 1.00 0.00 O ATOM 85 NE2 GLN A 6 -11.513 0.154 9.312 1.00 0.00 N ATOM 0 H GLN A 6 -12.097 4.767 8.205 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.182 5.216 8.004 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.827 2.795 8.023 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.524 3.338 9.537 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.801 2.790 8.048 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.689 1.577 7.444 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.641 -0.165 8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.689 -0.483 10.089 1.00 0.00 H new ATOM 94 N GLN A 7 -10.625 5.550 5.719 1.00 0.00 N ATOM 95 CA GLN A 7 -10.871 5.570 4.288 1.00 0.00 C ATOM 96 C GLN A 7 -9.947 6.580 3.604 1.00 0.00 C ATOM 97 O GLN A 7 -10.205 7.782 3.635 1.00 0.00 O ATOM 98 CB GLN A 7 -12.339 5.879 3.988 1.00 0.00 C ATOM 99 CG GLN A 7 -12.721 7.271 4.496 1.00 0.00 C ATOM 100 CD GLN A 7 -14.234 7.386 4.696 1.00 0.00 C ATOM 101 OE1 GLN A 7 -14.986 7.681 3.782 1.00 0.00 O ATOM 102 NE2 GLN A 7 -14.636 7.137 5.939 1.00 0.00 N ATOM 0 H GLN A 7 -10.751 6.448 6.186 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.653 4.580 3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.515 5.819 2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.976 5.129 4.458 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.210 7.471 5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.386 8.026 3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.953 6.895 6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.627 7.188 6.174 1.00 0.00 H new ATOM 111 N PHE A 8 -8.890 6.054 3.003 1.00 0.00 N ATOM 112 CA PHE A 8 -7.926 6.895 2.314 1.00 0.00 C ATOM 113 C PHE A 8 -8.134 6.838 0.799 1.00 0.00 C ATOM 114 O PHE A 8 -8.199 5.756 0.218 1.00 0.00 O ATOM 115 CB PHE A 8 -6.537 6.349 2.647 1.00 0.00 C ATOM 116 CG PHE A 8 -5.389 7.269 2.225 1.00 0.00 C ATOM 117 CD1 PHE A 8 -5.208 7.573 0.912 1.00 0.00 C ATOM 118 CD2 PHE A 8 -4.549 7.782 3.164 1.00 0.00 C ATOM 119 CE1 PHE A 8 -4.143 8.427 0.521 1.00 0.00 C ATOM 120 CE2 PHE A 8 -3.484 8.636 2.773 1.00 0.00 C ATOM 121 CZ PHE A 8 -3.303 8.940 1.460 1.00 0.00 C ATOM 0 H PHE A 8 -8.680 5.056 2.979 1.00 0.00 H new ATOM 0 HA PHE A 8 -8.042 7.931 2.631 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.474 6.176 3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.412 5.382 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.874 7.165 0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.692 7.540 4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.000 8.669 -0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.818 9.044 3.519 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.492 9.589 1.163 1.00 0.00 H new ATOM 131 N ILE A 9 -8.232 8.017 0.202 1.00 0.00 N ATOM 132 CA ILE A 9 -8.431 8.115 -1.234 1.00 0.00 C ATOM 133 C ILE A 9 -7.074 8.050 -1.938 1.00 0.00 C ATOM 134 O ILE A 9 -6.278 8.983 -1.845 1.00 0.00 O ATOM 135 CB ILE A 9 -9.244 9.365 -1.578 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.686 9.234 -1.085 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.175 9.667 -3.076 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.430 8.137 -1.849 1.00 0.00 C ATOM 0 H ILE A 9 -8.177 8.913 0.687 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.019 7.271 -1.596 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.802 10.215 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.690 9.006 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.204 10.185 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.761 10.560 -3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.138 9.834 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.577 8.823 -3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.453 8.065 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.445 8.380 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.923 7.183 -1.702 1.00 0.00 H new ATOM 150 N PHE A 10 -6.853 6.940 -2.626 1.00 0.00 N ATOM 151 CA PHE A 10 -5.606 6.741 -3.345 1.00 0.00 C ATOM 152 C PHE A 10 -5.769 5.688 -4.443 1.00 0.00 C ATOM 153 O PHE A 10 -6.535 4.738 -4.289 1.00 0.00 O ATOM 154 CB PHE A 10 -4.577 6.245 -2.328 1.00 0.00 C ATOM 155 CG PHE A 10 -3.252 5.798 -2.950 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.503 6.682 -3.663 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.824 4.517 -2.790 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.274 6.267 -4.240 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.595 4.103 -3.367 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.846 4.986 -4.080 1.00 0.00 C ATOM 0 H PHE A 10 -7.516 6.169 -2.701 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.295 7.674 -3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.379 7.040 -1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.005 5.411 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.843 7.699 -3.790 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.419 3.815 -2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.679 6.968 -4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.255 3.086 -3.240 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.089 4.670 -4.519 1.00 0.00 H new ATOM 170 N LYS A 11 -5.035 5.891 -5.527 1.00 0.00 N ATOM 171 CA LYS A 11 -5.088 4.971 -6.651 1.00 0.00 C ATOM 172 C LYS A 11 -3.673 4.484 -6.972 1.00 0.00 C ATOM 173 O LYS A 11 -2.830 5.262 -7.416 1.00 0.00 O ATOM 174 CB LYS A 11 -5.800 5.618 -7.840 1.00 0.00 C ATOM 175 CG LYS A 11 -7.209 6.072 -7.455 1.00 0.00 C ATOM 176 CD LYS A 11 -8.209 4.919 -7.578 1.00 0.00 C ATOM 177 CE LYS A 11 -9.444 5.170 -6.712 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.544 4.259 -7.101 1.00 0.00 N ATOM 0 H LYS A 11 -4.400 6.679 -5.651 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.679 4.091 -6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.223 6.472 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.856 4.908 -8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.207 6.449 -6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.518 6.896 -8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.508 4.802 -8.620 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.733 3.986 -7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.195 5.021 -5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.766 6.206 -6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.375 4.443 -6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.792 4.420 -8.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.239 3.273 -6.976 1.00 0.00 H new ATOM 192 N VAL A 12 -3.457 3.198 -6.735 1.00 0.00 N ATOM 193 CA VAL A 12 -2.160 2.597 -6.994 1.00 0.00 C ATOM 194 C VAL A 12 -2.273 1.640 -8.182 1.00 0.00 C ATOM 195 O VAL A 12 -3.270 0.933 -8.321 1.00 0.00 O ATOM 196 CB VAL A 12 -1.636 1.918 -5.727 1.00 0.00 C ATOM 197 CG1 VAL A 12 -1.975 0.426 -5.724 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.130 2.139 -5.569 1.00 0.00 C ATOM 0 H VAL A 12 -4.159 2.556 -6.366 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.432 3.362 -7.262 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.133 2.376 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.591 -0.032 -4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.057 0.299 -5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.519 -0.052 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.217 1.646 -4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.391 1.721 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.076 3.207 -5.503 1.00 0.00 H new ATOM 208 N THR A 13 -1.238 1.648 -9.009 1.00 0.00 N ATOM 209 CA THR A 13 -1.209 0.790 -10.180 1.00 0.00 C ATOM 210 C THR A 13 -1.338 -0.678 -9.769 1.00 0.00 C ATOM 211 O THR A 13 -1.274 -1.003 -8.584 1.00 0.00 O ATOM 212 CB THR A 13 0.074 1.093 -10.957 1.00 0.00 C ATOM 213 OG1 THR A 13 1.053 1.300 -9.943 1.00 0.00 O ATOM 214 CG2 THR A 13 0.010 2.433 -11.693 1.00 0.00 C ATOM 0 H THR A 13 -0.413 2.236 -8.891 1.00 0.00 H new ATOM 0 HA THR A 13 -2.057 0.987 -10.836 1.00 0.00 H new ATOM 0 HB THR A 13 0.261 0.294 -11.674 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.933 1.030 -10.278 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.945 2.599 -12.228 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.817 2.419 -12.403 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.144 3.237 -10.973 1.00 0.00 H new ATOM 222 N ASP A 14 -1.518 -1.527 -10.771 1.00 0.00 N ATOM 223 CA ASP A 14 -1.656 -2.953 -10.528 1.00 0.00 C ATOM 224 C ASP A 14 -0.279 -3.552 -10.234 1.00 0.00 C ATOM 225 O ASP A 14 -0.173 -4.559 -9.537 1.00 0.00 O ATOM 226 CB ASP A 14 -2.231 -3.667 -11.753 1.00 0.00 C ATOM 227 CG ASP A 14 -3.626 -4.264 -11.558 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.472 -3.552 -10.976 1.00 0.00 O ATOM 229 OD2 ASP A 14 -3.815 -5.420 -11.996 1.00 0.00 O ATOM 0 H ASP A 14 -1.571 -1.254 -11.752 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.331 -3.087 -9.683 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.267 -2.961 -12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.548 -4.465 -12.043 1.00 0.00 H new ATOM 234 N LYS A 15 0.740 -2.906 -10.782 1.00 0.00 N ATOM 235 CA LYS A 15 2.106 -3.363 -10.587 1.00 0.00 C ATOM 236 C LYS A 15 2.477 -3.232 -9.108 1.00 0.00 C ATOM 237 O LYS A 15 3.045 -4.153 -8.523 1.00 0.00 O ATOM 238 CB LYS A 15 3.058 -2.622 -11.528 1.00 0.00 C ATOM 239 CG LYS A 15 3.995 -3.598 -12.240 1.00 0.00 C ATOM 240 CD LYS A 15 3.208 -4.575 -13.116 1.00 0.00 C ATOM 241 CE LYS A 15 4.091 -5.153 -14.223 1.00 0.00 C ATOM 242 NZ LYS A 15 3.281 -5.961 -15.163 1.00 0.00 N ATOM 0 H LYS A 15 0.647 -2.071 -11.360 1.00 0.00 H new ATOM 0 HA LYS A 15 2.196 -4.418 -10.846 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.483 -2.061 -12.265 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.644 -1.898 -10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.704 -3.044 -12.854 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.577 -4.152 -11.503 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.814 -5.384 -12.501 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.352 -4.064 -13.558 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.585 -4.344 -14.762 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.875 -5.771 -13.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.896 -6.346 -15.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.829 -6.744 -14.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.548 -5.362 -15.594 1.00 0.00 H new ATOM 256 N ALA A 16 2.141 -2.080 -8.546 1.00 0.00 N ATOM 257 CA ALA A 16 2.431 -1.817 -7.147 1.00 0.00 C ATOM 258 C ALA A 16 1.780 -2.899 -6.283 1.00 0.00 C ATOM 259 O ALA A 16 2.467 -3.611 -5.552 1.00 0.00 O ATOM 260 CB ALA A 16 1.951 -0.412 -6.781 1.00 0.00 C ATOM 0 H ALA A 16 1.671 -1.318 -9.035 1.00 0.00 H new ATOM 0 HA ALA A 16 3.505 -1.852 -6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.169 -0.215 -5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.465 0.321 -7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.876 -0.340 -6.948 1.00 0.00 H new ATOM 266 N VAL A 17 0.463 -2.989 -6.396 1.00 0.00 N ATOM 267 CA VAL A 17 -0.288 -3.972 -5.635 1.00 0.00 C ATOM 268 C VAL A 17 0.277 -5.366 -5.913 1.00 0.00 C ATOM 269 O VAL A 17 0.460 -6.161 -4.992 1.00 0.00 O ATOM 270 CB VAL A 17 -1.779 -3.856 -5.957 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.459 -5.226 -5.912 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.469 -2.870 -5.013 1.00 0.00 C ATOM 0 H VAL A 17 -0.103 -2.397 -7.004 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.185 -3.787 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.873 -3.469 -6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.518 -5.114 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.994 -5.887 -6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.350 -5.654 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.528 -2.806 -5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.360 -3.214 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.012 -1.886 -5.117 1.00 0.00 H new ATOM 282 N GLU A 18 0.537 -5.621 -7.187 1.00 0.00 N ATOM 283 CA GLU A 18 1.077 -6.906 -7.597 1.00 0.00 C ATOM 284 C GLU A 18 2.439 -7.144 -6.941 1.00 0.00 C ATOM 285 O GLU A 18 2.872 -8.286 -6.797 1.00 0.00 O ATOM 286 CB GLU A 18 1.180 -6.996 -9.121 1.00 0.00 C ATOM 287 CG GLU A 18 1.715 -8.362 -9.555 1.00 0.00 C ATOM 288 CD GLU A 18 3.238 -8.334 -9.699 1.00 0.00 C ATOM 289 OE1 GLU A 18 3.717 -7.503 -10.501 1.00 0.00 O ATOM 290 OE2 GLU A 18 3.889 -9.144 -9.005 1.00 0.00 O ATOM 0 H GLU A 18 0.384 -4.960 -7.948 1.00 0.00 H new ATOM 0 HA GLU A 18 0.394 -7.688 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.199 -6.828 -9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.837 -6.210 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.429 -9.118 -8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.262 -8.649 -10.504 1.00 0.00 H new ATOM 297 N GLU A 19 3.077 -6.046 -6.562 1.00 0.00 N ATOM 298 CA GLU A 19 4.380 -6.120 -5.925 1.00 0.00 C ATOM 299 C GLU A 19 4.225 -6.409 -4.430 1.00 0.00 C ATOM 300 O GLU A 19 5.081 -7.053 -3.826 1.00 0.00 O ATOM 301 CB GLU A 19 5.178 -4.835 -6.155 1.00 0.00 C ATOM 302 CG GLU A 19 6.486 -4.852 -5.362 1.00 0.00 C ATOM 303 CD GLU A 19 7.532 -5.733 -6.049 1.00 0.00 C ATOM 304 OE1 GLU A 19 7.107 -6.690 -6.732 1.00 0.00 O ATOM 305 OE2 GLU A 19 8.732 -5.430 -5.874 1.00 0.00 O ATOM 0 H GLU A 19 2.715 -5.100 -6.684 1.00 0.00 H new ATOM 0 HA GLU A 19 4.937 -6.940 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.394 -4.722 -7.217 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.580 -3.973 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.869 -3.836 -5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.299 -5.222 -4.354 1.00 0.00 H new ATOM 312 N ILE A 20 3.126 -5.918 -3.876 1.00 0.00 N ATOM 313 CA ILE A 20 2.847 -6.114 -2.464 1.00 0.00 C ATOM 314 C ILE A 20 2.502 -7.584 -2.217 1.00 0.00 C ATOM 315 O ILE A 20 3.076 -8.220 -1.334 1.00 0.00 O ATOM 316 CB ILE A 20 1.767 -5.140 -1.990 1.00 0.00 C ATOM 317 CG1 ILE A 20 2.006 -3.739 -2.555 1.00 0.00 C ATOM 318 CG2 ILE A 20 1.666 -5.134 -0.464 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.501 -3.421 -2.617 1.00 0.00 C ATOM 0 H ILE A 20 2.418 -5.384 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 20 3.730 -5.888 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 20 0.806 -5.482 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.573 -3.667 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.499 -3.001 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.891 -4.433 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.413 -6.134 -0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.622 -4.830 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.643 -2.419 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.925 -3.470 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.001 -4.146 -3.259 1.00 0.00 H new ATOM 331 N LYS A 21 1.566 -8.081 -3.011 1.00 0.00 N ATOM 332 CA LYS A 21 1.137 -9.464 -2.890 1.00 0.00 C ATOM 333 C LYS A 21 2.274 -10.386 -3.333 1.00 0.00 C ATOM 334 O LYS A 21 2.318 -11.553 -2.947 1.00 0.00 O ATOM 335 CB LYS A 21 -0.170 -9.688 -3.652 1.00 0.00 C ATOM 336 CG LYS A 21 0.020 -9.443 -5.151 1.00 0.00 C ATOM 337 CD LYS A 21 -1.246 -8.851 -5.774 1.00 0.00 C ATOM 338 CE LYS A 21 -1.539 -9.491 -7.132 1.00 0.00 C ATOM 339 NZ LYS A 21 -1.953 -10.902 -6.962 1.00 0.00 N ATOM 0 H LYS A 21 1.092 -7.550 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 21 0.917 -9.706 -1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.521 -10.707 -3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.940 -9.020 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.859 -8.765 -5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.270 -10.381 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.092 -9.006 -5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.128 -7.774 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.326 -8.934 -7.641 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.652 -9.440 -7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.520 -11.199 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.109 -11.505 -6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.521 -10.995 -6.096 1.00 0.00 H new ATOM 353 N LYS A 22 3.166 -9.829 -4.139 1.00 0.00 N ATOM 354 CA LYS A 22 4.300 -10.587 -4.639 1.00 0.00 C ATOM 355 C LYS A 22 5.327 -10.759 -3.518 1.00 0.00 C ATOM 356 O LYS A 22 5.773 -11.873 -3.245 1.00 0.00 O ATOM 357 CB LYS A 22 4.869 -9.932 -5.899 1.00 0.00 C ATOM 358 CG LYS A 22 6.346 -10.286 -6.083 1.00 0.00 C ATOM 359 CD LYS A 22 6.679 -10.499 -7.561 1.00 0.00 C ATOM 360 CE LYS A 22 8.110 -11.012 -7.732 1.00 0.00 C ATOM 361 NZ LYS A 22 8.790 -10.294 -8.832 1.00 0.00 N ATOM 0 H LYS A 22 3.126 -8.861 -4.458 1.00 0.00 H new ATOM 0 HA LYS A 22 3.987 -11.586 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.302 -10.259 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.756 -8.850 -5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.968 -9.488 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.580 -11.190 -5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.979 -11.212 -7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.558 -9.561 -8.104 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.665 -10.876 -6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.097 -12.082 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.760 -10.655 -8.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.269 -10.445 -9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.820 -9.277 -8.617 1.00 0.00 H new ATOM 375 N VAL A 23 5.674 -9.640 -2.900 1.00 0.00 N ATOM 376 CA VAL A 23 6.640 -9.653 -1.815 1.00 0.00 C ATOM 377 C VAL A 23 6.099 -10.505 -0.665 1.00 0.00 C ATOM 378 O VAL A 23 6.850 -11.238 -0.024 1.00 0.00 O ATOM 379 CB VAL A 23 6.972 -8.220 -1.392 1.00 0.00 C ATOM 380 CG1 VAL A 23 7.233 -8.139 0.113 1.00 0.00 C ATOM 381 CG2 VAL A 23 8.161 -7.675 -2.185 1.00 0.00 C ATOM 0 H VAL A 23 5.303 -8.718 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 23 7.575 -10.106 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 23 6.107 -7.596 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.467 -7.110 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.345 -8.466 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.073 -8.783 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.375 -6.655 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.035 -8.302 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.921 -7.678 -3.248 1.00 0.00 H new ATOM 391 N ALA A 24 4.799 -10.381 -0.440 1.00 0.00 N ATOM 392 CA ALA A 24 4.149 -11.131 0.621 1.00 0.00 C ATOM 393 C ALA A 24 4.189 -12.623 0.283 1.00 0.00 C ATOM 394 O ALA A 24 4.604 -13.438 1.106 1.00 0.00 O ATOM 395 CB ALA A 24 2.721 -10.614 0.810 1.00 0.00 C ATOM 0 H ALA A 24 4.179 -9.773 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 24 4.674 -10.993 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.233 -11.176 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.749 -9.557 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.163 -10.739 -0.118 1.00 0.00 H new ATOM 401 N GLN A 25 3.751 -12.935 -0.928 1.00 0.00 N ATOM 402 CA GLN A 25 3.732 -14.314 -1.384 1.00 0.00 C ATOM 403 C GLN A 25 5.119 -14.943 -1.231 1.00 0.00 C ATOM 404 O GLN A 25 5.240 -16.158 -1.081 1.00 0.00 O ATOM 405 CB GLN A 25 3.244 -14.407 -2.831 1.00 0.00 C ATOM 406 CG GLN A 25 1.718 -14.487 -2.891 1.00 0.00 C ATOM 407 CD GLN A 25 1.252 -15.083 -4.221 1.00 0.00 C ATOM 408 OE1 GLN A 25 1.221 -14.425 -5.248 1.00 0.00 O ATOM 409 NE2 GLN A 25 0.892 -16.361 -4.145 1.00 0.00 N ATOM 0 H GLN A 25 3.407 -12.256 -1.607 1.00 0.00 H new ATOM 0 HA GLN A 25 3.031 -14.872 -0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.588 -13.538 -3.391 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.677 -15.286 -3.309 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.350 -15.097 -2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.293 -13.491 -2.766 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.942 -16.853 -3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.565 -16.849 -4.979 1.00 0.00 H new ATOM 418 N GLU A 26 6.129 -14.088 -1.275 1.00 0.00 N ATOM 419 CA GLU A 26 7.503 -14.544 -1.144 1.00 0.00 C ATOM 420 C GLU A 26 7.849 -14.769 0.329 1.00 0.00 C ATOM 421 O GLU A 26 8.875 -15.370 0.644 1.00 0.00 O ATOM 422 CB GLU A 26 8.474 -13.554 -1.790 1.00 0.00 C ATOM 423 CG GLU A 26 9.639 -14.286 -2.459 1.00 0.00 C ATOM 424 CD GLU A 26 10.847 -14.364 -1.523 1.00 0.00 C ATOM 425 OE1 GLU A 26 11.616 -13.379 -1.505 1.00 0.00 O ATOM 426 OE2 GLU A 26 10.973 -15.407 -0.845 1.00 0.00 O ATOM 0 H GLU A 26 6.024 -13.081 -1.400 1.00 0.00 H new ATOM 0 HA GLU A 26 7.601 -15.494 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.946 -12.951 -2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.857 -12.868 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.327 -15.292 -2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.919 -13.770 -3.377 1.00 0.00 H new ATOM 433 N ASN A 27 6.973 -14.275 1.192 1.00 0.00 N ATOM 434 CA ASN A 27 7.173 -14.415 2.624 1.00 0.00 C ATOM 435 C ASN A 27 6.050 -15.273 3.210 1.00 0.00 C ATOM 436 O ASN A 27 5.913 -15.375 4.428 1.00 0.00 O ATOM 437 CB ASN A 27 7.141 -13.053 3.320 1.00 0.00 C ATOM 438 CG ASN A 27 8.531 -12.415 3.342 1.00 0.00 C ATOM 439 OD1 ASN A 27 9.402 -12.789 4.110 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.690 -11.434 2.458 1.00 0.00 N ATOM 0 H ASN A 27 6.123 -13.777 0.927 1.00 0.00 H new ATOM 0 HA ASN A 27 8.146 -14.879 2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.443 -12.394 2.805 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.775 -13.170 4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.583 -10.945 2.394 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.919 -11.171 1.844 1.00 0.00 H new ATOM 447 N ASN A 28 5.273 -15.866 2.316 1.00 0.00 N ATOM 448 CA ASN A 28 4.166 -16.711 2.729 1.00 0.00 C ATOM 449 C ASN A 28 3.176 -15.883 3.550 1.00 0.00 C ATOM 450 O ASN A 28 2.552 -16.395 4.477 1.00 0.00 O ATOM 451 CB ASN A 28 4.653 -17.869 3.603 1.00 0.00 C ATOM 452 CG ASN A 28 3.737 -19.086 3.461 1.00 0.00 C ATOM 453 OD1 ASN A 28 2.806 -19.287 4.224 1.00 0.00 O ATOM 454 ND2 ASN A 28 4.052 -19.885 2.446 1.00 0.00 N ATOM 0 H ASN A 28 5.388 -15.778 1.306 1.00 0.00 H new ATOM 0 HA ASN A 28 3.694 -17.110 1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.670 -18.140 3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.686 -17.554 4.646 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.501 -20.725 2.268 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.844 -19.658 1.845 1.00 0.00 H new ATOM 461 N ILE A 29 3.064 -14.615 3.179 1.00 0.00 N ATOM 462 CA ILE A 29 2.161 -13.711 3.870 1.00 0.00 C ATOM 463 C ILE A 29 0.860 -13.590 3.074 1.00 0.00 C ATOM 464 O ILE A 29 0.885 -13.468 1.851 1.00 0.00 O ATOM 465 CB ILE A 29 2.846 -12.369 4.135 1.00 0.00 C ATOM 466 CG1 ILE A 29 4.156 -12.563 4.901 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.901 -11.403 4.852 1.00 0.00 C ATOM 468 CD1 ILE A 29 4.913 -11.241 5.038 1.00 0.00 C ATOM 0 H ILE A 29 3.584 -14.193 2.409 1.00 0.00 H new ATOM 0 HA ILE A 29 1.900 -14.109 4.851 1.00 0.00 H new ATOM 0 HB ILE A 29 3.098 -11.920 3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.946 -12.970 5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.780 -13.291 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.413 -10.457 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.020 -11.229 4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.596 -11.833 5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.840 -11.408 5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.143 -10.849 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.296 -10.523 5.578 1.00 0.00 H new ATOM 480 N GLU A 30 -0.247 -13.630 3.801 1.00 0.00 N ATOM 481 CA GLU A 30 -1.556 -13.527 3.179 1.00 0.00 C ATOM 482 C GLU A 30 -2.242 -12.225 3.598 1.00 0.00 C ATOM 483 O GLU A 30 -3.428 -12.032 3.334 1.00 0.00 O ATOM 484 CB GLU A 30 -2.424 -14.739 3.522 1.00 0.00 C ATOM 485 CG GLU A 30 -2.834 -15.497 2.258 1.00 0.00 C ATOM 486 CD GLU A 30 -3.169 -16.955 2.576 1.00 0.00 C ATOM 487 OE1 GLU A 30 -2.318 -17.605 3.221 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.268 -17.387 2.167 1.00 0.00 O ATOM 0 H GLU A 30 -0.264 -13.732 4.816 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.422 -13.513 2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.876 -15.406 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.314 -14.412 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.698 -15.013 1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.026 -15.457 1.528 1.00 0.00 H new ATOM 495 N ASN A 31 -1.467 -11.367 4.244 1.00 0.00 N ATOM 496 CA ASN A 31 -1.985 -10.089 4.702 1.00 0.00 C ATOM 497 C ASN A 31 -0.857 -9.056 4.702 1.00 0.00 C ATOM 498 O ASN A 31 -0.442 -8.584 5.759 1.00 0.00 O ATOM 499 CB ASN A 31 -2.529 -10.194 6.128 1.00 0.00 C ATOM 500 CG ASN A 31 -3.594 -9.127 6.389 1.00 0.00 C ATOM 501 OD1 ASN A 31 -3.652 -8.098 5.736 1.00 0.00 O ATOM 502 ND2 ASN A 31 -4.431 -9.429 7.378 1.00 0.00 N ATOM 0 H ASN A 31 -0.484 -11.531 4.461 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.790 -9.792 4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.955 -11.185 6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.713 -10.080 6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.178 -8.781 7.630 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.326 -10.308 7.884 1.00 0.00 H new ATOM 509 N PRO A 32 -0.379 -8.726 3.472 1.00 0.00 N ATOM 510 CA PRO A 32 0.693 -7.758 3.320 1.00 0.00 C ATOM 511 C PRO A 32 0.181 -6.333 3.541 1.00 0.00 C ATOM 512 O PRO A 32 -0.567 -5.804 2.720 1.00 0.00 O ATOM 513 CB PRO A 32 1.232 -7.984 1.917 1.00 0.00 C ATOM 514 CG PRO A 32 0.147 -8.745 1.171 1.00 0.00 C ATOM 515 CD PRO A 32 -0.847 -9.265 2.197 1.00 0.00 C ATOM 0 HA PRO A 32 1.482 -7.886 4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.452 -7.036 1.426 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.161 -8.553 1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.351 -8.094 0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.580 -9.571 0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.860 -8.930 1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.868 -10.355 2.211 1.00 0.00 H new ATOM 523 N ILE A 33 0.605 -5.752 4.654 1.00 0.00 N ATOM 524 CA ILE A 33 0.198 -4.399 4.993 1.00 0.00 C ATOM 525 C ILE A 33 1.237 -3.411 4.460 1.00 0.00 C ATOM 526 O ILE A 33 2.335 -3.306 5.002 1.00 0.00 O ATOM 527 CB ILE A 33 -0.052 -4.276 6.498 1.00 0.00 C ATOM 528 CG1 ILE A 33 -1.262 -5.111 6.923 1.00 0.00 C ATOM 529 CG2 ILE A 33 -0.192 -2.810 6.912 1.00 0.00 C ATOM 530 CD1 ILE A 33 -0.942 -5.950 8.161 1.00 0.00 C ATOM 0 H ILE A 33 1.226 -6.193 5.332 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.750 -4.155 4.515 1.00 0.00 H new ATOM 0 HB ILE A 33 0.815 -4.677 7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.106 -4.454 7.133 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.563 -5.765 6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.369 -2.751 7.986 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.724 -2.273 6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.031 -2.360 6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.819 -6.534 8.442 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.114 -6.623 7.940 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.665 -5.292 8.985 1.00 0.00 H new ATOM 542 N LEU A 34 0.852 -2.710 3.403 1.00 0.00 N ATOM 543 CA LEU A 34 1.736 -1.733 2.790 1.00 0.00 C ATOM 544 C LEU A 34 1.485 -0.361 3.417 1.00 0.00 C ATOM 545 O LEU A 34 0.346 0.098 3.481 1.00 0.00 O ATOM 546 CB LEU A 34 1.581 -1.751 1.268 1.00 0.00 C ATOM 547 CG LEU A 34 2.094 -0.515 0.527 1.00 0.00 C ATOM 548 CD1 LEU A 34 3.531 -0.722 0.045 1.00 0.00 C ATOM 549 CD2 LEU A 34 1.155 -0.134 -0.619 1.00 0.00 C ATOM 0 H LEU A 34 -0.060 -2.799 2.956 1.00 0.00 H new ATOM 0 HA LEU A 34 2.778 -1.987 2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.103 -2.626 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.525 -1.879 1.032 1.00 0.00 H new ATOM 0 HG LEU A 34 2.106 0.322 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.871 0.171 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.179 -0.910 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.568 -1.576 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.543 0.748 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.088 -0.962 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.164 0.084 -0.220 1.00 0.00 H new ATOM 561 N ARG A 35 2.569 0.257 3.865 1.00 0.00 N ATOM 562 CA ARG A 35 2.481 1.568 4.485 1.00 0.00 C ATOM 563 C ARG A 35 3.122 2.625 3.584 1.00 0.00 C ATOM 564 O ARG A 35 4.271 2.479 3.170 1.00 0.00 O ATOM 565 CB ARG A 35 3.175 1.580 5.848 1.00 0.00 C ATOM 566 CG ARG A 35 3.080 2.961 6.499 1.00 0.00 C ATOM 567 CD ARG A 35 4.305 3.241 7.373 1.00 0.00 C ATOM 568 NE ARG A 35 4.404 2.225 8.444 1.00 0.00 N ATOM 569 CZ ARG A 35 5.531 1.947 9.114 1.00 0.00 C ATOM 570 NH1 ARG A 35 6.661 2.608 8.826 1.00 0.00 N ATOM 571 NH2 ARG A 35 5.529 1.009 10.070 1.00 0.00 N ATOM 0 H ARG A 35 3.513 -0.126 3.811 1.00 0.00 H new ATOM 0 HA ARG A 35 1.425 1.798 4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.718 0.835 6.499 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.222 1.301 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.997 3.726 5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.176 3.020 7.105 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.208 3.228 6.763 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.230 4.237 7.810 1.00 0.00 H new ATOM 0 HE ARG A 35 3.562 1.704 8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.663 3.322 8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.519 2.397 9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.669 0.506 10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.387 0.798 10.579 1.00 0.00 H new ATOM 585 N ILE A 36 2.352 3.667 3.307 1.00 0.00 N ATOM 586 CA ILE A 36 2.831 4.748 2.463 1.00 0.00 C ATOM 587 C ILE A 36 3.521 5.801 3.332 1.00 0.00 C ATOM 588 O ILE A 36 2.863 6.518 4.085 1.00 0.00 O ATOM 589 CB ILE A 36 1.690 5.307 1.609 1.00 0.00 C ATOM 590 CG1 ILE A 36 1.525 4.502 0.319 1.00 0.00 C ATOM 591 CG2 ILE A 36 1.892 6.798 1.332 1.00 0.00 C ATOM 592 CD1 ILE A 36 0.765 3.199 0.579 1.00 0.00 C ATOM 0 H ILE A 36 1.400 3.785 3.652 1.00 0.00 H new ATOM 0 HA ILE A 36 3.575 4.379 1.758 1.00 0.00 H new ATOM 0 HB ILE A 36 0.762 5.207 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.990 5.098 -0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.505 4.278 -0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.068 7.170 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.921 7.343 2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.831 6.945 0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.661 2.646 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.315 2.594 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.224 3.428 0.977 1.00 0.00 H new ATOM 604 N ARG A 37 4.838 5.861 3.200 1.00 0.00 N ATOM 605 CA ARG A 37 5.624 6.814 3.965 1.00 0.00 C ATOM 606 C ARG A 37 6.427 7.715 3.024 1.00 0.00 C ATOM 607 O ARG A 37 6.887 7.269 1.974 1.00 0.00 O ATOM 608 CB ARG A 37 6.584 6.098 4.917 1.00 0.00 C ATOM 609 CG ARG A 37 7.014 7.021 6.059 1.00 0.00 C ATOM 610 CD ARG A 37 6.199 6.743 7.324 1.00 0.00 C ATOM 611 NE ARG A 37 7.107 6.530 8.473 1.00 0.00 N ATOM 612 CZ ARG A 37 7.821 7.502 9.057 1.00 0.00 C ATOM 613 NH1 ARG A 37 7.738 8.759 8.603 1.00 0.00 N ATOM 614 NH2 ARG A 37 8.619 7.216 10.095 1.00 0.00 N ATOM 0 H ARG A 37 5.381 5.265 2.575 1.00 0.00 H new ATOM 0 HA ARG A 37 4.933 7.419 4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.102 5.209 5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.463 5.760 4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.075 6.879 6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.884 8.061 5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.531 7.580 7.528 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.572 5.863 7.177 1.00 0.00 H new ATOM 0 HE ARG A 37 7.195 5.584 8.844 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.131 8.977 7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.282 9.499 9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.683 6.258 10.440 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.162 7.956 10.539 1.00 0.00 H new ATOM 628 N VAL A 38 6.570 8.967 3.435 1.00 0.00 N ATOM 629 CA VAL A 38 7.309 9.934 2.642 1.00 0.00 C ATOM 630 C VAL A 38 8.806 9.631 2.740 1.00 0.00 C ATOM 631 O VAL A 38 9.260 9.040 3.718 1.00 0.00 O ATOM 632 CB VAL A 38 6.956 11.355 3.087 1.00 0.00 C ATOM 633 CG1 VAL A 38 7.336 12.377 2.014 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.474 11.464 3.449 1.00 0.00 C ATOM 0 H VAL A 38 6.187 9.333 4.306 1.00 0.00 H new ATOM 0 HA VAL A 38 7.030 9.858 1.591 1.00 0.00 H new ATOM 0 HB VAL A 38 7.536 11.579 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.074 13.378 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.409 12.326 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.796 12.156 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.250 12.484 3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.867 11.209 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.247 10.776 4.264 1.00 0.00 H new ATOM 644 N VAL A 39 9.530 10.051 1.713 1.00 0.00 N ATOM 645 CA VAL A 39 10.966 9.831 1.672 1.00 0.00 C ATOM 646 C VAL A 39 11.669 11.148 1.338 1.00 0.00 C ATOM 647 O VAL A 39 11.853 11.479 0.167 1.00 0.00 O ATOM 648 CB VAL A 39 11.296 8.710 0.684 1.00 0.00 C ATOM 649 CG1 VAL A 39 12.808 8.575 0.493 1.00 0.00 C ATOM 650 CG2 VAL A 39 10.680 7.384 1.134 1.00 0.00 C ATOM 0 H VAL A 39 9.150 10.542 0.904 1.00 0.00 H new ATOM 0 HA VAL A 39 11.331 9.505 2.646 1.00 0.00 H new ATOM 0 HB VAL A 39 10.859 8.973 -0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.015 7.771 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.211 9.511 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.277 8.346 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.930 6.604 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.074 7.114 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.597 7.488 1.195 1.00 0.00 H new ATOM 660 N PRO A 40 12.054 11.884 2.415 1.00 0.00 N ATOM 661 CA PRO A 40 12.733 13.158 2.248 1.00 0.00 C ATOM 662 C PRO A 40 14.189 12.951 1.825 1.00 0.00 C ATOM 663 O PRO A 40 15.093 12.992 2.659 1.00 0.00 O ATOM 664 CB PRO A 40 12.598 13.855 3.591 1.00 0.00 C ATOM 665 CG PRO A 40 12.259 12.765 4.595 1.00 0.00 C ATOM 666 CD PRO A 40 11.854 11.524 3.816 1.00 0.00 C ATOM 0 HA PRO A 40 12.299 13.766 1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.524 14.362 3.863 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.816 14.614 3.560 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.117 12.553 5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.448 13.087 5.249 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.464 10.665 4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.816 11.255 4.011 1.00 0.00 H new ATOM 674 N GLY A 41 14.371 12.734 0.531 1.00 0.00 N ATOM 675 CA GLY A 41 15.702 12.522 -0.012 1.00 0.00 C ATOM 676 C GLY A 41 15.786 13.005 -1.461 1.00 0.00 C ATOM 677 O GLY A 41 14.942 12.658 -2.286 1.00 0.00 O ATOM 0 H GLY A 41 13.619 12.700 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.435 13.053 0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.954 11.463 0.037 1.00 0.00 H new ATOM 681 N GLY A 42 16.812 13.800 -1.728 1.00 0.00 N ATOM 682 CA GLY A 42 17.018 14.335 -3.063 1.00 0.00 C ATOM 683 C GLY A 42 16.514 15.776 -3.160 1.00 0.00 C ATOM 684 O GLY A 42 15.690 16.205 -2.354 1.00 0.00 O ATOM 0 H GLY A 42 17.510 14.087 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.078 14.299 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.497 13.714 -3.792 1.00 0.00 H new ATOM 688 N CYS A 43 17.031 16.484 -4.153 1.00 0.00 N ATOM 689 CA CYS A 43 16.644 17.869 -4.366 1.00 0.00 C ATOM 690 C CYS A 43 15.294 17.885 -5.086 1.00 0.00 C ATOM 691 O CYS A 43 14.364 18.563 -4.653 1.00 0.00 O ATOM 692 CB CYS A 43 17.714 18.642 -5.140 1.00 0.00 C ATOM 693 SG CYS A 43 18.203 20.138 -4.206 1.00 0.00 S ATOM 0 H CYS A 43 17.715 16.125 -4.819 1.00 0.00 H new ATOM 0 HA CYS A 43 16.548 18.375 -3.405 1.00 0.00 H new ATOM 0 HB2 CYS A 43 18.584 18.007 -5.307 1.00 0.00 H new ATOM 0 HB3 CYS A 43 17.332 18.924 -6.121 1.00 0.00 H new ATOM 0 HG CYS A 43 19.113 20.786 -4.870 1.00 0.00 H new ATOM 699 N SER A 44 15.231 17.130 -6.173 1.00 0.00 N ATOM 700 CA SER A 44 14.010 17.050 -6.958 1.00 0.00 C ATOM 701 C SER A 44 13.326 15.701 -6.724 1.00 0.00 C ATOM 702 O SER A 44 12.104 15.633 -6.607 1.00 0.00 O ATOM 703 CB SER A 44 14.299 17.247 -8.447 1.00 0.00 C ATOM 704 OG SER A 44 15.154 16.232 -8.964 1.00 0.00 O ATOM 0 H SER A 44 16.005 16.569 -6.529 1.00 0.00 H new ATOM 0 HA SER A 44 13.343 17.850 -6.636 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.361 17.247 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 44 14.760 18.223 -8.601 1.00 0.00 H new ATOM 0 HG SER A 44 15.313 16.393 -9.918 1.00 0.00 H new ATOM 710 N GLY A 45 14.145 14.661 -6.662 1.00 0.00 N ATOM 711 CA GLY A 45 13.634 13.319 -6.445 1.00 0.00 C ATOM 712 C GLY A 45 12.840 13.239 -5.139 1.00 0.00 C ATOM 713 O GLY A 45 13.290 13.726 -4.104 1.00 0.00 O ATOM 0 H GLY A 45 15.159 14.721 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.997 13.029 -7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.462 12.611 -6.415 1.00 0.00 H new ATOM 717 N PHE A 46 11.671 12.621 -5.231 1.00 0.00 N ATOM 718 CA PHE A 46 10.810 12.472 -4.071 1.00 0.00 C ATOM 719 C PHE A 46 9.658 11.508 -4.363 1.00 0.00 C ATOM 720 O PHE A 46 8.665 11.891 -4.980 1.00 0.00 O ATOM 721 CB PHE A 46 10.235 13.855 -3.759 1.00 0.00 C ATOM 722 CG PHE A 46 9.785 14.029 -2.307 1.00 0.00 C ATOM 723 CD1 PHE A 46 8.535 13.643 -1.932 1.00 0.00 C ATOM 724 CD2 PHE A 46 10.633 14.569 -1.392 1.00 0.00 C ATOM 725 CE1 PHE A 46 8.117 13.805 -0.585 1.00 0.00 C ATOM 726 CE2 PHE A 46 10.215 14.730 -0.044 1.00 0.00 C ATOM 727 CZ PHE A 46 8.966 14.345 0.331 1.00 0.00 C ATOM 0 H PHE A 46 11.301 12.218 -6.092 1.00 0.00 H new ATOM 0 HA PHE A 46 11.381 12.071 -3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.987 14.610 -3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.386 14.041 -4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.861 13.214 -2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.625 14.876 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.125 13.500 -0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.889 15.158 0.683 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.648 14.468 1.356 1.00 0.00 H new ATOM 737 N GLN A 47 9.829 10.276 -3.906 1.00 0.00 N ATOM 738 CA GLN A 47 8.816 9.255 -4.110 1.00 0.00 C ATOM 739 C GLN A 47 8.604 8.452 -2.825 1.00 0.00 C ATOM 740 O GLN A 47 9.490 8.391 -1.974 1.00 0.00 O ATOM 741 CB GLN A 47 9.191 8.336 -5.275 1.00 0.00 C ATOM 742 CG GLN A 47 9.558 9.149 -6.518 1.00 0.00 C ATOM 743 CD GLN A 47 11.072 9.159 -6.739 1.00 0.00 C ATOM 744 OE1 GLN A 47 11.809 8.349 -6.202 1.00 0.00 O ATOM 745 NE2 GLN A 47 11.493 10.120 -7.557 1.00 0.00 N ATOM 0 H GLN A 47 10.654 9.962 -3.395 1.00 0.00 H new ATOM 0 HA GLN A 47 7.878 9.748 -4.366 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.031 7.704 -4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.357 7.673 -5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.062 8.727 -7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.196 10.171 -6.408 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.822 10.766 -7.973 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.487 10.211 -7.768 1.00 0.00 H new ATOM 754 N TYR A 48 7.425 7.856 -2.725 1.00 0.00 N ATOM 755 CA TYR A 48 7.086 7.059 -1.558 1.00 0.00 C ATOM 756 C TYR A 48 7.458 5.590 -1.770 1.00 0.00 C ATOM 757 O TYR A 48 6.995 4.960 -2.719 1.00 0.00 O ATOM 758 CB TYR A 48 5.569 7.171 -1.398 1.00 0.00 C ATOM 759 CG TYR A 48 5.080 8.582 -1.067 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.101 9.565 -2.035 1.00 0.00 C ATOM 761 CD2 TYR A 48 4.618 8.872 0.201 1.00 0.00 C ATOM 762 CE1 TYR A 48 4.641 10.893 -1.723 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.158 10.201 0.513 1.00 0.00 C ATOM 764 CZ TYR A 48 4.192 11.146 -0.465 1.00 0.00 C ATOM 765 OH TYR A 48 3.758 12.400 -0.170 1.00 0.00 O ATOM 0 H TYR A 48 6.693 7.909 -3.433 1.00 0.00 H new ATOM 0 HA TYR A 48 7.626 7.414 -0.680 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.091 6.839 -2.320 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.246 6.491 -0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.463 9.338 -3.027 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.601 8.103 0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.652 11.671 -2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.794 10.442 1.501 1.00 0.00 H new ATOM 0 HH TYR A 48 4.334 12.792 0.519 1.00 0.00 H new ATOM 775 N ALA A 49 8.291 5.088 -0.870 1.00 0.00 N ATOM 776 CA ALA A 49 8.730 3.705 -0.946 1.00 0.00 C ATOM 777 C ALA A 49 7.641 2.796 -0.373 1.00 0.00 C ATOM 778 O ALA A 49 6.787 3.248 0.388 1.00 0.00 O ATOM 779 CB ALA A 49 10.064 3.552 -0.212 1.00 0.00 C ATOM 0 H ALA A 49 8.673 5.614 -0.084 1.00 0.00 H new ATOM 0 HA ALA A 49 8.893 3.410 -1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.394 2.515 -0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.811 4.196 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.939 3.836 0.833 1.00 0.00 H new ATOM 785 N MET A 50 7.707 1.531 -0.761 1.00 0.00 N ATOM 786 CA MET A 50 6.737 0.555 -0.295 1.00 0.00 C ATOM 787 C MET A 50 7.381 -0.440 0.672 1.00 0.00 C ATOM 788 O MET A 50 8.591 -0.405 0.889 1.00 0.00 O ATOM 789 CB MET A 50 6.157 -0.201 -1.493 1.00 0.00 C ATOM 790 CG MET A 50 5.272 0.714 -2.342 1.00 0.00 C ATOM 791 SD MET A 50 4.582 -0.202 -3.710 1.00 0.00 S ATOM 792 CE MET A 50 2.850 0.166 -3.488 1.00 0.00 C ATOM 0 H MET A 50 8.417 1.160 -1.392 1.00 0.00 H new ATOM 0 HA MET A 50 5.943 1.084 0.232 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.968 -0.598 -2.104 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.575 -1.053 -1.143 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.471 1.129 -1.730 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.856 1.555 -2.715 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.265 -0.745 -3.615 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.688 0.564 -2.486 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.537 0.904 -4.227 1.00 0.00 H new ATOM 802 N GLY A 51 6.544 -1.303 1.228 1.00 0.00 N ATOM 803 CA GLY A 51 7.016 -2.305 2.168 1.00 0.00 C ATOM 804 C GLY A 51 5.878 -3.233 2.599 1.00 0.00 C ATOM 805 O GLY A 51 4.786 -3.185 2.035 1.00 0.00 O ATOM 0 H GLY A 51 5.541 -1.329 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.814 -2.890 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.442 -1.815 3.044 1.00 0.00 H new ATOM 809 N PHE A 52 6.173 -4.056 3.594 1.00 0.00 N ATOM 810 CA PHE A 52 5.189 -4.993 4.107 1.00 0.00 C ATOM 811 C PHE A 52 5.238 -5.059 5.635 1.00 0.00 C ATOM 812 O PHE A 52 6.298 -5.285 6.217 1.00 0.00 O ATOM 813 CB PHE A 52 5.542 -6.369 3.538 1.00 0.00 C ATOM 814 CG PHE A 52 7.045 -6.623 3.413 1.00 0.00 C ATOM 815 CD1 PHE A 52 7.751 -6.043 2.405 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.676 -7.430 4.308 1.00 0.00 C ATOM 817 CE1 PHE A 52 9.147 -6.279 2.289 1.00 0.00 C ATOM 818 CE2 PHE A 52 9.071 -7.666 4.191 1.00 0.00 C ATOM 819 CZ PHE A 52 9.777 -7.086 3.184 1.00 0.00 C ATOM 0 H PHE A 52 7.080 -4.093 4.059 1.00 0.00 H new ATOM 0 HA PHE A 52 4.187 -4.676 3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.106 -7.138 4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.083 -6.473 2.555 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.250 -5.403 1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.116 -7.891 5.108 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.708 -5.817 1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.572 -8.306 4.902 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.838 -7.266 3.095 1.00 0.00 H new ATOM 829 N ASP A 53 4.077 -4.857 6.242 1.00 0.00 N ATOM 830 CA ASP A 53 3.974 -4.890 7.691 1.00 0.00 C ATOM 831 C ASP A 53 2.888 -5.887 8.098 1.00 0.00 C ATOM 832 O ASP A 53 2.171 -6.411 7.247 1.00 0.00 O ATOM 833 CB ASP A 53 3.589 -3.518 8.247 1.00 0.00 C ATOM 834 CG ASP A 53 4.560 -2.386 7.906 1.00 0.00 C ATOM 835 OD1 ASP A 53 5.669 -2.396 8.482 1.00 0.00 O ATOM 836 OD2 ASP A 53 4.171 -1.535 7.077 1.00 0.00 O ATOM 0 H ASP A 53 3.200 -4.670 5.756 1.00 0.00 H new ATOM 0 HA ASP A 53 4.945 -5.182 8.092 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.601 -3.254 7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.507 -3.592 9.331 1.00 0.00 H new ATOM 841 N ASP A 54 2.801 -6.121 9.399 1.00 0.00 N ATOM 842 CA ASP A 54 1.815 -7.046 9.930 1.00 0.00 C ATOM 843 C ASP A 54 0.983 -6.339 11.002 1.00 0.00 C ATOM 844 O ASP A 54 -0.241 -6.456 11.021 1.00 0.00 O ATOM 845 CB ASP A 54 2.488 -8.258 10.576 1.00 0.00 C ATOM 846 CG ASP A 54 2.715 -9.447 9.640 1.00 0.00 C ATOM 847 OD1 ASP A 54 2.272 -9.346 8.476 1.00 0.00 O ATOM 848 OD2 ASP A 54 3.328 -10.430 10.111 1.00 0.00 O ATOM 0 H ASP A 54 3.398 -5.685 10.102 1.00 0.00 H new ATOM 0 HA ASP A 54 1.188 -7.380 9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.450 -7.946 10.983 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.878 -8.588 11.417 1.00 0.00 H new ATOM 853 N THR A 55 1.682 -5.621 11.869 1.00 0.00 N ATOM 854 CA THR A 55 1.024 -4.896 12.942 1.00 0.00 C ATOM 855 C THR A 55 0.185 -3.749 12.375 1.00 0.00 C ATOM 856 O THR A 55 0.150 -3.542 11.162 1.00 0.00 O ATOM 857 CB THR A 55 2.098 -4.433 13.929 1.00 0.00 C ATOM 858 OG1 THR A 55 1.373 -3.699 14.912 1.00 0.00 O ATOM 859 CG2 THR A 55 3.047 -3.400 13.318 1.00 0.00 C ATOM 0 H THR A 55 2.697 -5.526 11.850 1.00 0.00 H new ATOM 0 HA THR A 55 0.323 -5.535 13.479 1.00 0.00 H new ATOM 0 HB THR A 55 2.671 -5.294 14.273 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.993 -3.363 15.593 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.789 -3.105 14.059 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.550 -3.834 12.454 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.479 -2.524 13.005 1.00 0.00 H new ATOM 867 N VAL A 56 -0.468 -3.033 13.277 1.00 0.00 N ATOM 868 CA VAL A 56 -1.304 -1.912 12.882 1.00 0.00 C ATOM 869 C VAL A 56 -1.146 -0.779 13.898 1.00 0.00 C ATOM 870 O VAL A 56 -0.793 -1.020 15.052 1.00 0.00 O ATOM 871 CB VAL A 56 -2.754 -2.372 12.720 1.00 0.00 C ATOM 872 CG1 VAL A 56 -3.724 -1.346 13.310 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.080 -2.653 11.252 1.00 0.00 C ATOM 0 H VAL A 56 -0.435 -3.207 14.281 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.990 -1.525 11.913 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.873 -3.303 13.274 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.748 -1.697 13.182 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.515 -1.217 14.372 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.601 -0.392 12.797 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.117 -2.978 11.165 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.934 -1.745 10.667 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.421 -3.436 10.877 1.00 0.00 H new ATOM 883 N GLU A 57 -1.414 0.432 13.433 1.00 0.00 N ATOM 884 CA GLU A 57 -1.306 1.602 14.287 1.00 0.00 C ATOM 885 C GLU A 57 -2.624 1.844 15.026 1.00 0.00 C ATOM 886 O GLU A 57 -3.632 1.203 14.731 1.00 0.00 O ATOM 887 CB GLU A 57 -0.896 2.835 13.479 1.00 0.00 C ATOM 888 CG GLU A 57 0.234 2.500 12.503 1.00 0.00 C ATOM 889 CD GLU A 57 1.545 3.158 12.938 1.00 0.00 C ATOM 890 OE1 GLU A 57 1.763 4.318 12.524 1.00 0.00 O ATOM 891 OE2 GLU A 57 2.301 2.486 13.673 1.00 0.00 O ATOM 0 H GLU A 57 -1.706 0.628 12.476 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.527 1.417 15.026 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.756 3.216 12.928 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.574 3.627 14.155 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.365 1.419 12.450 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.033 2.839 11.502 1.00 0.00 H new ATOM 898 N GLU A 58 -2.574 2.771 15.971 1.00 0.00 N ATOM 899 CA GLU A 58 -3.752 3.105 16.754 1.00 0.00 C ATOM 900 C GLU A 58 -4.625 4.108 15.998 1.00 0.00 C ATOM 901 O GLU A 58 -5.165 5.039 16.594 1.00 0.00 O ATOM 902 CB GLU A 58 -3.360 3.647 18.130 1.00 0.00 C ATOM 903 CG GLU A 58 -4.469 3.399 19.154 1.00 0.00 C ATOM 904 CD GLU A 58 -4.380 4.396 20.311 1.00 0.00 C ATOM 905 OE1 GLU A 58 -3.622 4.099 21.260 1.00 0.00 O ATOM 906 OE2 GLU A 58 -5.073 5.433 20.221 1.00 0.00 O ATOM 0 H GLU A 58 -1.737 3.301 16.212 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.331 2.195 16.910 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.439 3.170 18.464 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.158 4.716 18.060 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.442 3.484 18.670 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.393 2.382 19.539 1.00 0.00 H new ATOM 913 N GLY A 59 -4.735 3.885 14.697 1.00 0.00 N ATOM 914 CA GLY A 59 -5.533 4.758 13.853 1.00 0.00 C ATOM 915 C GLY A 59 -4.806 5.069 12.543 1.00 0.00 C ATOM 916 O GLY A 59 -4.422 6.211 12.298 1.00 0.00 O ATOM 0 H GLY A 59 -4.285 3.112 14.206 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.491 4.285 13.638 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.747 5.686 14.383 1.00 0.00 H new ATOM 920 N ASP A 60 -4.640 4.032 11.735 1.00 0.00 N ATOM 921 CA ASP A 60 -3.966 4.180 10.456 1.00 0.00 C ATOM 922 C ASP A 60 -4.993 4.068 9.328 1.00 0.00 C ATOM 923 O ASP A 60 -5.922 3.265 9.406 1.00 0.00 O ATOM 924 CB ASP A 60 -2.920 3.082 10.255 1.00 0.00 C ATOM 925 CG ASP A 60 -1.656 3.521 9.512 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.644 4.684 9.053 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.732 2.685 9.422 1.00 0.00 O ATOM 0 H ASP A 60 -4.961 3.086 11.941 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.474 5.153 10.444 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.632 2.692 11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.379 2.260 9.706 1.00 0.00 H new ATOM 932 N HIS A 61 -4.791 4.884 8.304 1.00 0.00 N ATOM 933 CA HIS A 61 -5.688 4.887 7.160 1.00 0.00 C ATOM 934 C HIS A 61 -5.602 3.541 6.438 1.00 0.00 C ATOM 935 O HIS A 61 -4.900 3.413 5.436 1.00 0.00 O ATOM 936 CB HIS A 61 -5.392 6.073 6.241 1.00 0.00 C ATOM 937 CG HIS A 61 -6.433 7.165 6.293 1.00 0.00 C ATOM 938 ND1 HIS A 61 -7.676 7.046 5.695 1.00 0.00 N ATOM 939 CD2 HIS A 61 -6.404 8.397 6.878 1.00 0.00 C ATOM 940 CE1 HIS A 61 -8.355 8.161 5.916 1.00 0.00 C ATOM 941 NE2 HIS A 61 -7.565 8.998 6.649 1.00 0.00 N ATOM 0 H HIS A 61 -4.019 5.548 8.242 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.716 5.013 7.499 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.424 6.495 6.510 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.309 5.713 5.216 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.576 8.813 7.433 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.358 8.371 5.576 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.824 9.931 6.968 1.00 0.00 H new ATOM 949 N VAL A 62 -6.327 2.570 6.975 1.00 0.00 N ATOM 950 CA VAL A 62 -6.341 1.239 6.394 1.00 0.00 C ATOM 951 C VAL A 62 -7.225 1.241 5.146 1.00 0.00 C ATOM 952 O VAL A 62 -8.435 1.444 5.237 1.00 0.00 O ATOM 953 CB VAL A 62 -6.789 0.216 7.441 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.292 -0.048 7.343 1.00 0.00 C ATOM 955 CG2 VAL A 62 -5.994 -1.085 7.311 1.00 0.00 C ATOM 0 H VAL A 62 -6.909 2.679 7.806 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.338 0.948 6.082 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.587 0.636 8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.583 -0.778 8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.836 0.882 7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.529 -0.436 6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.332 -1.795 8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.150 -1.509 6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.933 -0.879 7.455 1.00 0.00 H new ATOM 965 N PHE A 63 -6.587 1.014 4.007 1.00 0.00 N ATOM 966 CA PHE A 63 -7.300 0.987 2.741 1.00 0.00 C ATOM 967 C PHE A 63 -7.204 -0.392 2.087 1.00 0.00 C ATOM 968 O PHE A 63 -6.109 -0.872 1.798 1.00 0.00 O ATOM 969 CB PHE A 63 -6.633 2.019 1.830 1.00 0.00 C ATOM 970 CG PHE A 63 -7.584 2.668 0.823 1.00 0.00 C ATOM 971 CD1 PHE A 63 -8.829 3.051 1.213 1.00 0.00 C ATOM 972 CD2 PHE A 63 -7.185 2.861 -0.463 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.712 3.653 0.278 1.00 0.00 C ATOM 974 CE2 PHE A 63 -8.068 3.463 -1.398 1.00 0.00 C ATOM 975 CZ PHE A 63 -9.313 3.847 -1.007 1.00 0.00 C ATOM 0 H PHE A 63 -5.583 0.847 3.934 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.355 1.209 2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.187 2.799 2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.819 1.537 1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.146 2.897 2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.196 2.556 -0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.701 3.957 0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.751 3.616 -2.419 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.985 4.306 -1.717 1.00 0.00 H new ATOM 985 N GLU A 64 -8.366 -0.992 1.871 1.00 0.00 N ATOM 986 CA GLU A 64 -8.427 -2.306 1.255 1.00 0.00 C ATOM 987 C GLU A 64 -7.911 -2.243 -0.184 1.00 0.00 C ATOM 988 O GLU A 64 -8.282 -1.347 -0.941 1.00 0.00 O ATOM 989 CB GLU A 64 -9.849 -2.870 1.304 1.00 0.00 C ATOM 990 CG GLU A 64 -10.352 -2.963 2.746 1.00 0.00 C ATOM 991 CD GLU A 64 -11.830 -3.356 2.786 1.00 0.00 C ATOM 992 OE1 GLU A 64 -12.147 -4.429 2.228 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.609 -2.575 3.374 1.00 0.00 O ATOM 0 H GLU A 64 -9.273 -0.592 2.112 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.785 -2.981 1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.517 -2.234 0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.868 -3.858 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.762 -3.697 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.213 -2.005 3.246 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.065 -3.206 -0.518 1.00 0.00 N ATOM 1001 CA TYR A 65 -6.495 -3.271 -1.853 1.00 0.00 C ATOM 1002 C TYR A 65 -6.988 -4.512 -2.600 1.00 0.00 C ATOM 1003 O TYR A 65 -7.933 -5.168 -2.165 1.00 0.00 O ATOM 1004 CB TYR A 65 -4.981 -3.374 -1.661 1.00 0.00 C ATOM 1005 CG TYR A 65 -4.250 -2.033 -1.748 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -4.869 -0.880 -1.311 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -2.970 -1.976 -2.263 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -4.181 0.382 -1.392 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -2.282 -0.714 -2.345 1.00 0.00 C ATOM 1010 CZ TYR A 65 -2.921 0.403 -1.906 1.00 0.00 C ATOM 1011 OH TYR A 65 -2.271 1.595 -1.983 1.00 0.00 O ATOM 0 H TYR A 65 -6.760 -3.948 0.113 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.784 -2.397 -2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.778 -3.824 -0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.574 -4.047 -2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.870 -0.924 -0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.485 -2.878 -2.604 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.654 1.292 -1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.281 -0.656 -2.746 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.687 2.150 -2.675 1.00 0.00 H new ATOM 1021 N ASP A 66 -6.325 -4.796 -3.712 1.00 0.00 N ATOM 1022 CA ASP A 66 -6.684 -5.947 -4.523 1.00 0.00 C ATOM 1023 C ASP A 66 -6.340 -7.229 -3.763 1.00 0.00 C ATOM 1024 O ASP A 66 -5.410 -7.944 -4.134 1.00 0.00 O ATOM 1025 CB ASP A 66 -5.907 -5.956 -5.841 1.00 0.00 C ATOM 1026 CG ASP A 66 -6.621 -6.640 -7.008 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -7.844 -6.858 -6.876 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -5.927 -6.930 -8.007 1.00 0.00 O ATOM 0 H ASP A 66 -5.542 -4.249 -4.070 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.752 -5.890 -4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.687 -4.926 -6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.951 -6.453 -5.678 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.108 -7.481 -2.713 1.00 0.00 N ATOM 1034 CA GLY A 67 -6.896 -8.665 -1.897 1.00 0.00 C ATOM 1035 C GLY A 67 -5.660 -8.504 -1.009 1.00 0.00 C ATOM 1036 O GLY A 67 -4.930 -9.466 -0.776 1.00 0.00 O ATOM 0 H GLY A 67 -7.878 -6.885 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.774 -8.845 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.776 -9.537 -2.539 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.465 -7.281 -0.538 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.331 -6.982 0.320 1.00 0.00 C ATOM 1042 C VAL A 68 -4.679 -5.800 1.226 1.00 0.00 C ATOM 1043 O VAL A 68 -5.612 -5.050 0.942 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.082 -6.737 -0.530 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -1.972 -6.091 0.301 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.597 -8.034 -1.180 1.00 0.00 C ATOM 0 H VAL A 68 -6.073 -6.486 -0.734 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.107 -7.831 0.966 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.350 -6.044 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.096 -5.928 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.320 -5.136 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.708 -6.749 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.709 -7.831 -1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.354 -8.761 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.382 -8.435 -1.821 1.00 0.00 H new ATOM 1056 N LYS A 69 -3.911 -5.670 2.298 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.127 -4.591 3.247 1.00 0.00 C ATOM 1058 C LYS A 69 -3.080 -3.500 3.019 1.00 0.00 C ATOM 1059 O LYS A 69 -1.952 -3.790 2.624 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.150 -5.133 4.677 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.534 -4.962 5.307 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.437 -4.893 6.833 1.00 0.00 C ATOM 1063 CE LYS A 69 -6.794 -5.176 7.481 1.00 0.00 C ATOM 1064 NZ LYS A 69 -6.615 -5.873 8.774 1.00 0.00 N ATOM 0 H LYS A 69 -3.138 -6.294 2.530 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.104 -4.133 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.876 -6.188 4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.406 -4.612 5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.001 -4.053 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.175 -5.795 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.703 -5.616 7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.084 -3.907 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.332 -4.241 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.402 -5.786 6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.545 -6.058 9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.121 -6.775 8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.053 -5.277 9.415 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.490 -2.267 3.278 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.601 -1.130 3.106 1.00 0.00 C ATOM 1080 C VAL A 70 -2.921 -0.074 4.165 1.00 0.00 C ATOM 1081 O VAL A 70 -4.016 -0.062 4.724 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.707 -0.595 1.676 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -2.016 0.764 1.547 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -2.137 -1.598 0.671 1.00 0.00 C ATOM 0 H VAL A 70 -4.426 -2.030 3.606 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.563 -1.431 3.250 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.764 -0.457 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.106 1.122 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.487 1.477 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.962 0.662 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.225 -1.193 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.087 -1.783 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.693 -2.534 0.736 1.00 0.00 H new ATOM 1094 N VAL A 71 -1.944 0.788 4.409 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.107 1.846 5.391 1.00 0.00 C ATOM 1096 C VAL A 71 -1.330 3.083 4.936 1.00 0.00 C ATOM 1097 O VAL A 71 -0.364 2.971 4.183 1.00 0.00 O ATOM 1098 CB VAL A 71 -1.680 1.347 6.773 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.018 -0.135 6.950 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.191 1.602 7.012 1.00 0.00 C ATOM 0 H VAL A 71 -1.037 0.775 3.943 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.155 2.133 5.473 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.240 1.910 7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.704 -0.464 7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.093 -0.278 6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.498 -0.720 6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.086 1.238 8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.394 1.078 6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.010 2.672 6.950 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.782 4.234 5.412 1.00 0.00 N ATOM 1111 CA ILE A 72 -1.141 5.491 5.064 1.00 0.00 C ATOM 1112 C ILE A 72 -1.191 6.435 6.267 1.00 0.00 C ATOM 1113 O ILE A 72 -2.269 6.849 6.691 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.765 6.077 3.796 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -2.120 4.972 2.798 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.854 7.138 3.176 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -2.944 5.528 1.635 1.00 0.00 C ATOM 0 H ILE A 72 -2.584 4.323 6.036 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.089 5.330 4.829 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.696 6.573 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.207 4.515 2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.682 4.187 3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.321 7.538 2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.695 7.945 3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.105 6.688 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.183 4.723 0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.867 5.962 2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.370 6.296 1.116 1.00 0.00 H new ATOM 1129 N ASP A 73 -0.011 6.747 6.782 1.00 0.00 N ATOM 1130 CA ASP A 73 0.093 7.635 7.928 1.00 0.00 C ATOM 1131 C ASP A 73 -0.826 8.840 7.720 1.00 0.00 C ATOM 1132 O ASP A 73 -1.244 9.120 6.597 1.00 0.00 O ATOM 1133 CB ASP A 73 1.523 8.153 8.095 1.00 0.00 C ATOM 1134 CG ASP A 73 2.317 7.507 9.231 1.00 0.00 C ATOM 1135 OD1 ASP A 73 2.669 6.318 9.073 1.00 0.00 O ATOM 1136 OD2 ASP A 73 2.555 8.216 10.233 1.00 0.00 O ATOM 0 H ASP A 73 0.881 6.401 6.427 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.193 7.073 8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.062 7.996 7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.486 9.229 8.264 1.00 0.00 H new ATOM 1141 N PRO A 74 -1.121 9.540 8.848 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.983 10.709 8.799 1.00 0.00 C ATOM 1143 C PRO A 74 -1.244 11.910 8.205 1.00 0.00 C ATOM 1144 O PRO A 74 -1.869 12.828 7.676 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.422 10.933 10.237 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.429 10.173 11.100 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.644 9.238 10.194 1.00 0.00 C ATOM 0 HA PRO A 74 -2.847 10.569 8.150 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.422 11.995 10.484 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.437 10.569 10.397 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.757 10.865 11.609 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.949 9.608 11.873 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.429 9.410 10.282 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.822 8.194 10.452 1.00 0.00 H new ATOM 1155 N PHE A 75 0.075 11.866 8.314 1.00 0.00 N ATOM 1156 CA PHE A 75 0.906 12.939 7.794 1.00 0.00 C ATOM 1157 C PHE A 75 1.112 12.792 6.285 1.00 0.00 C ATOM 1158 O PHE A 75 1.461 13.755 5.605 1.00 0.00 O ATOM 1159 CB PHE A 75 2.262 12.835 8.495 1.00 0.00 C ATOM 1160 CG PHE A 75 2.318 13.543 9.850 1.00 0.00 C ATOM 1161 CD1 PHE A 75 2.068 14.878 9.931 1.00 0.00 C ATOM 1162 CD2 PHE A 75 2.618 12.838 10.973 1.00 0.00 C ATOM 1163 CE1 PHE A 75 2.120 15.535 11.188 1.00 0.00 C ATOM 1164 CE2 PHE A 75 2.670 13.496 12.231 1.00 0.00 C ATOM 1165 CZ PHE A 75 2.421 14.830 12.312 1.00 0.00 C ATOM 0 H PHE A 75 0.590 11.104 8.755 1.00 0.00 H new ATOM 0 HA PHE A 75 0.427 13.901 7.976 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.507 11.782 8.636 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.029 13.256 7.845 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.830 15.438 9.039 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.817 11.778 10.909 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.921 16.594 11.252 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.907 12.936 13.123 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.462 15.330 13.268 1.00 0.00 H new ATOM 1175 N SER A 76 0.886 11.577 5.805 1.00 0.00 N ATOM 1176 CA SER A 76 1.043 11.291 4.390 1.00 0.00 C ATOM 1177 C SER A 76 -0.264 11.583 3.649 1.00 0.00 C ATOM 1178 O SER A 76 -0.268 11.738 2.429 1.00 0.00 O ATOM 1179 CB SER A 76 1.467 9.838 4.165 1.00 0.00 C ATOM 1180 OG SER A 76 2.885 9.691 4.159 1.00 0.00 O ATOM 0 H SER A 76 0.595 10.780 6.372 1.00 0.00 H new ATOM 0 HA SER A 76 1.829 11.936 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.041 9.210 4.948 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.062 9.485 3.217 1.00 0.00 H new ATOM 0 HG SER A 76 3.115 8.739 4.138 1.00 0.00 H new ATOM 1186 N MET A 77 -1.340 11.649 4.418 1.00 0.00 N ATOM 1187 CA MET A 77 -2.650 11.919 3.850 1.00 0.00 C ATOM 1188 C MET A 77 -2.650 13.239 3.076 1.00 0.00 C ATOM 1189 O MET A 77 -3.046 13.280 1.912 1.00 0.00 O ATOM 1190 CB MET A 77 -3.689 11.985 4.971 1.00 0.00 C ATOM 1191 CG MET A 77 -4.814 10.975 4.736 1.00 0.00 C ATOM 1192 SD MET A 77 -5.980 11.625 3.551 1.00 0.00 S ATOM 1193 CE MET A 77 -5.457 10.747 2.088 1.00 0.00 C ATOM 0 H MET A 77 -1.332 11.520 5.430 1.00 0.00 H new ATOM 0 HA MET A 77 -2.899 11.114 3.159 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.209 11.784 5.929 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.105 12.991 5.028 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.400 10.035 4.373 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.321 10.758 5.676 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.050 11.076 1.235 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.403 10.951 1.898 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.598 9.676 2.236 1.00 0.00 H new ATOM 1203 N PRO A 78 -2.190 14.313 3.771 1.00 0.00 N ATOM 1204 CA PRO A 78 -2.133 15.631 3.161 1.00 0.00 C ATOM 1205 C PRO A 78 -0.969 15.728 2.173 1.00 0.00 C ATOM 1206 O PRO A 78 -0.710 16.794 1.617 1.00 0.00 O ATOM 1207 CB PRO A 78 -2.005 16.598 4.327 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.529 15.768 5.507 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.713 14.302 5.151 1.00 0.00 C ATOM 0 HA PRO A 78 -3.018 15.859 2.567 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.296 17.394 4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.960 17.075 4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.482 15.979 5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.097 16.017 6.403 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.776 13.752 5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.431 13.820 5.815 1.00 0.00 H new ATOM 1217 N TYR A 79 -0.299 14.601 1.985 1.00 0.00 N ATOM 1218 CA TYR A 79 0.831 14.545 1.073 1.00 0.00 C ATOM 1219 C TYR A 79 0.450 13.842 -0.231 1.00 0.00 C ATOM 1220 O TYR A 79 0.804 14.303 -1.315 1.00 0.00 O ATOM 1221 CB TYR A 79 1.908 13.724 1.786 1.00 0.00 C ATOM 1222 CG TYR A 79 3.220 14.479 2.011 1.00 0.00 C ATOM 1223 CD1 TYR A 79 3.903 15.011 0.936 1.00 0.00 C ATOM 1224 CD2 TYR A 79 3.720 14.627 3.288 1.00 0.00 C ATOM 1225 CE1 TYR A 79 5.137 15.721 1.147 1.00 0.00 C ATOM 1226 CE2 TYR A 79 4.955 15.338 3.500 1.00 0.00 C ATOM 1227 CZ TYR A 79 5.602 15.849 2.419 1.00 0.00 C ATOM 1228 OH TYR A 79 6.768 16.520 2.619 1.00 0.00 O ATOM 0 H TYR A 79 -0.517 13.719 2.449 1.00 0.00 H new ATOM 0 HA TYR A 79 1.170 15.550 0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.520 13.395 2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.113 12.827 1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.511 14.894 -0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.186 14.210 4.129 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.681 16.142 0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.357 15.462 4.495 1.00 0.00 H new ATOM 0 HH TYR A 79 6.977 16.534 3.576 1.00 0.00 H new ATOM 1238 N VAL A 80 -0.267 12.738 -0.083 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.700 11.966 -1.235 1.00 0.00 C ATOM 1240 C VAL A 80 -2.225 11.843 -1.217 1.00 0.00 C ATOM 1241 O VAL A 80 -2.764 10.748 -1.368 1.00 0.00 O ATOM 1242 CB VAL A 80 0.009 10.611 -1.254 1.00 0.00 C ATOM 1243 CG1 VAL A 80 1.529 10.787 -1.265 1.00 0.00 C ATOM 1244 CG2 VAL A 80 -0.434 9.744 -0.075 1.00 0.00 C ATOM 0 H VAL A 80 -0.559 12.359 0.818 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.426 12.474 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.275 10.098 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.009 9.808 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.824 11.348 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.839 11.331 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.085 8.786 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.194 10.251 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.510 9.576 -0.131 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.876 12.982 -1.032 1.00 0.00 N ATOM 1255 CA ASN A 81 -4.328 13.015 -0.992 1.00 0.00 C ATOM 1256 C ASN A 81 -4.874 12.976 -2.421 1.00 0.00 C ATOM 1257 O ASN A 81 -4.892 13.995 -3.110 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.832 14.299 -0.328 1.00 0.00 C ATOM 1259 CG ASN A 81 -4.206 15.534 -0.978 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -3.078 15.909 -0.700 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -4.997 16.143 -1.855 1.00 0.00 N ATOM 0 H ASN A 81 -2.425 13.888 -0.908 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.669 12.154 -0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.918 14.352 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.591 14.282 0.735 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.671 16.977 -2.343 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.930 15.776 -2.041 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.307 11.790 -2.823 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.852 11.606 -4.157 1.00 0.00 C ATOM 1270 C GLY A 82 -4.745 11.276 -5.161 1.00 0.00 C ATOM 1271 O GLY A 82 -5.003 10.664 -6.196 1.00 0.00 O ATOM 0 H GLY A 82 -5.291 10.947 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.588 10.803 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.373 12.511 -4.469 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.536 11.697 -4.819 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.389 11.454 -5.677 1.00 0.00 C ATOM 1277 C ALA A 83 -2.272 9.954 -5.953 1.00 0.00 C ATOM 1278 O ALA A 83 -3.044 9.159 -5.419 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.130 12.026 -5.022 1.00 0.00 C ATOM 0 H ALA A 83 -3.326 12.205 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.515 11.957 -6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.270 11.843 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.252 13.099 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.970 11.543 -4.058 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.301 9.612 -6.787 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.073 8.221 -7.140 1.00 0.00 C ATOM 1287 C GLU A 84 0.414 7.879 -7.020 1.00 0.00 C ATOM 1288 O GLU A 84 1.266 8.763 -7.098 1.00 0.00 O ATOM 1289 CB GLU A 84 -1.593 7.920 -8.547 1.00 0.00 C ATOM 1290 CG GLU A 84 -0.927 8.828 -9.583 1.00 0.00 C ATOM 1291 CD GLU A 84 -1.171 8.311 -11.002 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -1.344 7.080 -11.136 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -1.178 9.158 -11.922 1.00 0.00 O ATOM 0 H GLU A 84 -0.663 10.274 -7.229 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.627 7.594 -6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.399 6.876 -8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.674 8.059 -8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.318 9.841 -9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.145 8.881 -9.390 1.00 0.00 H new ATOM 1300 N LEU A 85 0.680 6.595 -6.832 1.00 0.00 N ATOM 1301 CA LEU A 85 2.049 6.126 -6.701 1.00 0.00 C ATOM 1302 C LEU A 85 2.232 4.859 -7.540 1.00 0.00 C ATOM 1303 O LEU A 85 1.728 3.795 -7.182 1.00 0.00 O ATOM 1304 CB LEU A 85 2.414 5.945 -5.226 1.00 0.00 C ATOM 1305 CG LEU A 85 3.079 4.617 -4.858 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.346 4.390 -5.686 1.00 0.00 C ATOM 1307 CD2 LEU A 85 3.355 4.540 -3.355 1.00 0.00 C ATOM 0 H LEU A 85 -0.029 5.865 -6.767 1.00 0.00 H new ATOM 0 HA LEU A 85 2.745 6.869 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.082 6.756 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.506 6.051 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 85 2.387 3.810 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.799 3.439 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.090 4.371 -6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.053 5.198 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.828 3.586 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.018 5.355 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.416 4.624 -2.808 1.00 0.00 H new ATOM 1319 N ASP A 86 2.954 5.016 -8.640 1.00 0.00 N ATOM 1320 CA ASP A 86 3.210 3.898 -9.532 1.00 0.00 C ATOM 1321 C ASP A 86 4.582 3.301 -9.214 1.00 0.00 C ATOM 1322 O ASP A 86 5.590 4.005 -9.240 1.00 0.00 O ATOM 1323 CB ASP A 86 3.218 4.351 -10.994 1.00 0.00 C ATOM 1324 CG ASP A 86 3.033 3.230 -12.019 1.00 0.00 C ATOM 1325 OD1 ASP A 86 3.402 2.085 -11.681 1.00 0.00 O ATOM 1326 OD2 ASP A 86 2.527 3.545 -13.118 1.00 0.00 O ATOM 0 H ASP A 86 3.370 5.900 -8.934 1.00 0.00 H new ATOM 0 HA ASP A 86 2.419 3.162 -9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.426 5.086 -11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.162 4.856 -11.197 1.00 0.00 H new ATOM 1331 N TYR A 87 4.576 2.008 -8.922 1.00 0.00 N ATOM 1332 CA TYR A 87 5.808 1.309 -8.599 1.00 0.00 C ATOM 1333 C TYR A 87 6.516 0.830 -9.869 1.00 0.00 C ATOM 1334 O TYR A 87 5.872 0.339 -10.795 1.00 0.00 O ATOM 1335 CB TYR A 87 5.397 0.091 -7.770 1.00 0.00 C ATOM 1336 CG TYR A 87 6.445 -0.347 -6.745 1.00 0.00 C ATOM 1337 CD1 TYR A 87 6.731 0.459 -5.662 1.00 0.00 C ATOM 1338 CD2 TYR A 87 7.105 -1.549 -6.904 1.00 0.00 C ATOM 1339 CE1 TYR A 87 7.718 0.047 -4.698 1.00 0.00 C ATOM 1340 CE2 TYR A 87 8.092 -1.961 -5.940 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.350 -1.143 -4.885 1.00 0.00 C ATOM 1342 OH TYR A 87 9.282 -1.533 -3.974 1.00 0.00 O ATOM 0 H TYR A 87 3.738 1.427 -8.902 1.00 0.00 H new ATOM 0 HA TYR A 87 6.493 1.967 -8.065 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.466 0.316 -7.249 1.00 0.00 H new ATOM 0 HB3 TYR A 87 5.192 -0.741 -8.443 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.214 1.399 -5.537 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.881 -2.180 -7.751 1.00 0.00 H new ATOM 0 HE1 TYR A 87 7.951 0.668 -3.846 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.616 -2.899 -6.052 1.00 0.00 H new ATOM 0 HH TYR A 87 10.131 -1.712 -4.430 1.00 0.00 H new ATOM 1352 N VAL A 88 7.831 0.991 -9.871 1.00 0.00 N ATOM 1353 CA VAL A 88 8.632 0.581 -11.012 1.00 0.00 C ATOM 1354 C VAL A 88 9.155 -0.838 -10.780 1.00 0.00 C ATOM 1355 O VAL A 88 9.495 -1.201 -9.655 1.00 0.00 O ATOM 1356 CB VAL A 88 9.750 1.597 -11.257 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.708 1.106 -12.345 1.00 0.00 C ATOM 1358 CG2 VAL A 88 9.175 2.970 -11.612 1.00 0.00 C ATOM 0 H VAL A 88 8.362 1.399 -9.101 1.00 0.00 H new ATOM 0 HA VAL A 88 8.025 0.559 -11.917 1.00 0.00 H new ATOM 0 HB VAL A 88 10.318 1.700 -10.332 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.493 1.846 -12.500 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.156 0.161 -12.036 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.158 0.960 -13.275 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.990 3.673 -11.781 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.572 2.889 -12.516 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.552 3.327 -10.792 1.00 0.00 H new ATOM 1368 N VAL A 89 9.202 -1.601 -11.861 1.00 0.00 N ATOM 1369 CA VAL A 89 9.677 -2.973 -11.790 1.00 0.00 C ATOM 1370 C VAL A 89 10.757 -3.190 -12.851 1.00 0.00 C ATOM 1371 O VAL A 89 10.466 -3.196 -14.046 1.00 0.00 O ATOM 1372 CB VAL A 89 8.501 -3.942 -11.927 1.00 0.00 C ATOM 1373 CG1 VAL A 89 8.935 -5.377 -11.623 1.00 0.00 C ATOM 1374 CG2 VAL A 89 7.335 -3.520 -11.030 1.00 0.00 C ATOM 0 H VAL A 89 8.919 -1.296 -12.792 1.00 0.00 H new ATOM 0 HA VAL A 89 10.131 -3.170 -10.819 1.00 0.00 H new ATOM 0 HB VAL A 89 8.158 -3.908 -12.961 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.080 -6.045 -11.728 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.717 -5.676 -12.321 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.317 -5.433 -10.604 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.512 -4.226 -11.147 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.661 -3.511 -9.990 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.000 -2.522 -11.314 1.00 0.00 H new ATOM 1384 N ASP A 90 11.982 -3.362 -12.376 1.00 0.00 N ATOM 1385 CA ASP A 90 13.107 -3.579 -13.269 1.00 0.00 C ATOM 1386 C ASP A 90 14.308 -4.072 -12.460 1.00 0.00 C ATOM 1387 O ASP A 90 14.141 -4.748 -11.445 1.00 0.00 O ATOM 1388 CB ASP A 90 13.512 -2.280 -13.971 1.00 0.00 C ATOM 1389 CG ASP A 90 12.349 -1.456 -14.526 1.00 0.00 C ATOM 1390 OD1 ASP A 90 11.602 -0.896 -13.695 1.00 0.00 O ATOM 1391 OD2 ASP A 90 12.232 -1.405 -15.770 1.00 0.00 O ATOM 0 H ASP A 90 12.220 -3.355 -11.384 1.00 0.00 H new ATOM 0 HA ASP A 90 12.807 -4.315 -14.015 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.071 -1.663 -13.267 1.00 0.00 H new ATOM 0 HB3 ASP A 90 14.189 -2.523 -14.790 1.00 0.00 H new ATOM 1396 N PHE A 91 15.491 -3.716 -12.938 1.00 0.00 N ATOM 1397 CA PHE A 91 16.719 -4.114 -12.272 1.00 0.00 C ATOM 1398 C PHE A 91 16.733 -3.637 -10.818 1.00 0.00 C ATOM 1399 O PHE A 91 17.549 -4.094 -10.019 1.00 0.00 O ATOM 1400 CB PHE A 91 17.873 -3.450 -13.026 1.00 0.00 C ATOM 1401 CG PHE A 91 19.175 -4.253 -13.002 1.00 0.00 C ATOM 1402 CD1 PHE A 91 19.290 -5.385 -13.748 1.00 0.00 C ATOM 1403 CD2 PHE A 91 20.218 -3.835 -12.236 1.00 0.00 C ATOM 1404 CE1 PHE A 91 20.498 -6.130 -13.727 1.00 0.00 C ATOM 1405 CE2 PHE A 91 21.426 -4.580 -12.214 1.00 0.00 C ATOM 1406 CZ PHE A 91 21.541 -5.712 -12.960 1.00 0.00 C ATOM 0 H PHE A 91 15.625 -3.156 -13.780 1.00 0.00 H new ATOM 0 HA PHE A 91 16.806 -5.200 -12.271 1.00 0.00 H new ATOM 0 HB2 PHE A 91 17.574 -3.293 -14.062 1.00 0.00 H new ATOM 0 HB3 PHE A 91 18.057 -2.466 -12.595 1.00 0.00 H new ATOM 0 HD1 PHE A 91 18.462 -5.717 -14.356 1.00 0.00 H new ATOM 0 HD2 PHE A 91 20.127 -2.936 -11.644 1.00 0.00 H new ATOM 0 HE1 PHE A 91 20.589 -7.028 -14.320 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.254 -4.248 -11.605 1.00 0.00 H new ATOM 0 HZ PHE A 91 22.460 -6.279 -12.943 1.00 0.00 H new ATOM 1416 N MET A 92 15.821 -2.723 -10.520 1.00 0.00 N ATOM 1417 CA MET A 92 15.719 -2.179 -9.176 1.00 0.00 C ATOM 1418 C MET A 92 14.994 -3.152 -8.244 1.00 0.00 C ATOM 1419 O MET A 92 14.772 -2.847 -7.074 1.00 0.00 O ATOM 1420 CB MET A 92 14.959 -0.852 -9.220 1.00 0.00 C ATOM 1421 CG MET A 92 15.876 0.317 -8.857 1.00 0.00 C ATOM 1422 SD MET A 92 15.207 1.842 -9.501 1.00 0.00 S ATOM 1423 CE MET A 92 16.070 3.018 -8.473 1.00 0.00 C ATOM 0 H MET A 92 15.146 -2.346 -11.186 1.00 0.00 H new ATOM 0 HA MET A 92 16.726 -2.019 -8.791 1.00 0.00 H new ATOM 0 HB2 MET A 92 14.545 -0.699 -10.217 1.00 0.00 H new ATOM 0 HB3 MET A 92 14.118 -0.887 -8.528 1.00 0.00 H new ATOM 0 HG2 MET A 92 15.981 0.385 -7.774 1.00 0.00 H new ATOM 0 HG3 MET A 92 16.873 0.147 -9.264 1.00 0.00 H new ATOM 0 HE1 MET A 92 15.767 4.029 -8.744 1.00 0.00 H new ATOM 0 HE2 MET A 92 15.826 2.835 -7.427 1.00 0.00 H new ATOM 0 HE3 MET A 92 17.145 2.909 -8.619 1.00 0.00 H new ATOM 1433 N GLY A 93 14.646 -4.304 -8.799 1.00 0.00 N ATOM 1434 CA GLY A 93 13.951 -5.324 -8.032 1.00 0.00 C ATOM 1435 C GLY A 93 12.643 -4.779 -7.454 1.00 0.00 C ATOM 1436 O GLY A 93 12.167 -5.258 -6.426 1.00 0.00 O ATOM 0 H GLY A 93 14.832 -4.553 -9.770 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.741 -6.183 -8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.592 -5.676 -7.223 1.00 0.00 H new ATOM 1440 N GLY A 94 12.098 -3.786 -8.141 1.00 0.00 N ATOM 1441 CA GLY A 94 10.854 -3.171 -7.709 1.00 0.00 C ATOM 1442 C GLY A 94 11.120 -1.865 -6.958 1.00 0.00 C ATOM 1443 O GLY A 94 11.343 -1.874 -5.749 1.00 0.00 O ATOM 0 H GLY A 94 12.495 -3.392 -8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.221 -2.975 -8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.308 -3.860 -7.065 1.00 0.00 H new ATOM 1447 N GLY A 95 11.088 -0.772 -7.707 1.00 0.00 N ATOM 1448 CA GLY A 95 11.322 0.540 -7.128 1.00 0.00 C ATOM 1449 C GLY A 95 10.004 1.281 -6.898 1.00 0.00 C ATOM 1450 O GLY A 95 8.931 0.684 -6.967 1.00 0.00 O ATOM 0 H GLY A 95 10.903 -0.768 -8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.854 0.434 -6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.961 1.125 -7.790 1.00 0.00 H new ATOM 1454 N PHE A 96 10.127 2.573 -6.631 1.00 0.00 N ATOM 1455 CA PHE A 96 8.959 3.403 -6.391 1.00 0.00 C ATOM 1456 C PHE A 96 8.985 4.655 -7.270 1.00 0.00 C ATOM 1457 O PHE A 96 10.055 5.176 -7.581 1.00 0.00 O ATOM 1458 CB PHE A 96 9.004 3.825 -4.921 1.00 0.00 C ATOM 1459 CG PHE A 96 10.414 4.113 -4.399 1.00 0.00 C ATOM 1460 CD1 PHE A 96 11.095 5.202 -4.846 1.00 0.00 C ATOM 1461 CD2 PHE A 96 10.986 3.279 -3.490 1.00 0.00 C ATOM 1462 CE1 PHE A 96 12.403 5.469 -4.362 1.00 0.00 C ATOM 1463 CE2 PHE A 96 12.294 3.546 -3.006 1.00 0.00 C ATOM 1464 CZ PHE A 96 12.974 4.636 -3.452 1.00 0.00 C ATOM 0 H PHE A 96 11.018 3.066 -6.576 1.00 0.00 H new ATOM 0 HA PHE A 96 8.052 2.846 -6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 96 8.390 4.716 -4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.557 3.038 -4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.641 5.864 -5.569 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.445 2.414 -3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 96 12.944 6.334 -4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 96 12.749 2.884 -2.284 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.968 4.840 -3.083 1.00 0.00 H new ATOM 1474 N THR A 97 7.795 5.101 -7.645 1.00 0.00 N ATOM 1475 CA THR A 97 7.669 6.282 -8.482 1.00 0.00 C ATOM 1476 C THR A 97 6.318 6.960 -8.246 1.00 0.00 C ATOM 1477 O THR A 97 5.313 6.288 -8.018 1.00 0.00 O ATOM 1478 CB THR A 97 7.889 5.857 -9.935 1.00 0.00 C ATOM 1479 OG1 THR A 97 9.306 5.771 -10.060 1.00 0.00 O ATOM 1480 CG2 THR A 97 7.493 6.949 -10.931 1.00 0.00 C ATOM 0 H THR A 97 6.910 4.666 -7.385 1.00 0.00 H new ATOM 0 HA THR A 97 8.422 7.029 -8.229 1.00 0.00 H new ATOM 0 HB THR A 97 7.315 4.953 -10.140 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.721 5.905 -9.182 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.669 6.596 -11.947 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.437 7.188 -10.808 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.091 7.842 -10.749 1.00 0.00 H new ATOM 1488 N ILE A 98 6.337 8.283 -8.308 1.00 0.00 N ATOM 1489 CA ILE A 98 5.127 9.060 -8.104 1.00 0.00 C ATOM 1490 C ILE A 98 4.688 9.672 -9.436 1.00 0.00 C ATOM 1491 O ILE A 98 5.520 10.131 -10.217 1.00 0.00 O ATOM 1492 CB ILE A 98 5.333 10.091 -6.992 1.00 0.00 C ATOM 1493 CG1 ILE A 98 5.572 9.405 -5.646 1.00 0.00 C ATOM 1494 CG2 ILE A 98 4.163 11.076 -6.934 1.00 0.00 C ATOM 1495 CD1 ILE A 98 4.265 8.851 -5.073 1.00 0.00 C ATOM 0 H ILE A 98 7.172 8.837 -8.497 1.00 0.00 H new ATOM 0 HA ILE A 98 4.315 8.417 -7.765 1.00 0.00 H new ATOM 0 HB ILE A 98 6.229 10.668 -7.223 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.291 8.595 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.009 10.115 -4.944 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.334 11.798 -6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.081 11.601 -7.886 1.00 0.00 H new ATOM 0 HG23 ILE A 98 3.239 10.532 -6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.463 8.368 -4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 98 3.556 9.667 -4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.844 8.123 -5.766 1.00 0.00 H new ATOM 1507 N ARG A 99 3.381 9.659 -9.655 1.00 0.00 N ATOM 1508 CA ARG A 99 2.821 10.207 -10.879 1.00 0.00 C ATOM 1509 C ARG A 99 1.724 11.222 -10.553 1.00 0.00 C ATOM 1510 O ARG A 99 0.578 10.846 -10.311 1.00 0.00 O ATOM 1511 CB ARG A 99 2.238 9.101 -11.761 1.00 0.00 C ATOM 1512 CG ARG A 99 3.321 8.471 -12.638 1.00 0.00 C ATOM 1513 CD ARG A 99 2.845 8.339 -14.087 1.00 0.00 C ATOM 1514 NE ARG A 99 3.396 7.105 -14.690 1.00 0.00 N ATOM 1515 CZ ARG A 99 3.310 6.803 -15.993 1.00 0.00 C ATOM 1516 NH1 ARG A 99 2.695 7.643 -16.836 1.00 0.00 N ATOM 1517 NH2 ARG A 99 3.838 5.661 -16.452 1.00 0.00 N ATOM 0 H ARG A 99 2.694 9.277 -9.005 1.00 0.00 H new ATOM 0 HA ARG A 99 3.628 10.701 -11.421 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.781 8.335 -11.135 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.448 9.511 -12.391 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.224 9.081 -12.602 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.585 7.488 -12.247 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.756 8.315 -14.120 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.162 9.208 -14.663 1.00 0.00 H new ATOM 0 HE ARG A 99 3.871 6.443 -14.076 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.292 8.512 -16.486 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.630 7.413 -17.828 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.306 5.021 -15.810 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.773 5.431 -17.444 1.00 0.00 H new ATOM 1531 N ASN A 100 2.114 12.488 -10.557 1.00 0.00 N ATOM 1532 CA ASN A 100 1.178 13.560 -10.265 1.00 0.00 C ATOM 1533 C ASN A 100 0.053 13.546 -11.301 1.00 0.00 C ATOM 1534 O ASN A 100 0.298 13.739 -12.491 1.00 0.00 O ATOM 1535 CB ASN A 100 1.865 14.925 -10.332 1.00 0.00 C ATOM 1536 CG ASN A 100 3.115 14.954 -9.450 1.00 0.00 C ATOM 1537 OD1 ASN A 100 4.227 14.728 -9.898 1.00 0.00 O ATOM 1538 ND2 ASN A 100 2.871 15.244 -8.175 1.00 0.00 N ATOM 0 H ASN A 100 3.066 12.795 -10.758 1.00 0.00 H new ATOM 0 HA ASN A 100 0.788 13.402 -9.260 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.138 15.148 -11.363 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.171 15.702 -10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.640 15.288 -7.506 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.915 15.423 -7.866 1.00 0.00 H new ATOM 1545 N PRO A 101 -1.189 13.308 -10.799 1.00 0.00 N ATOM 1546 CA PRO A 101 -2.352 13.266 -11.668 1.00 0.00 C ATOM 1547 C PRO A 101 -2.761 14.674 -12.107 1.00 0.00 C ATOM 1548 O PRO A 101 -3.806 15.177 -11.696 1.00 0.00 O ATOM 1549 CB PRO A 101 -3.426 12.562 -10.855 1.00 0.00 C ATOM 1550 CG PRO A 101 -2.976 12.652 -9.405 1.00 0.00 C ATOM 1551 CD PRO A 101 -1.516 13.075 -9.396 1.00 0.00 C ATOM 0 HA PRO A 101 -2.162 12.732 -12.599 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.396 13.039 -10.993 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.534 11.523 -11.167 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.586 13.373 -8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.098 11.690 -8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.368 13.976 -8.800 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -0.882 12.300 -8.965 1.00 0.00 H new TER 1559 PRO A 101