USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 LYS NZ :NH3+ -162:sc= -0.28 (180deg=0) USER MOD Set 1.2: A 84 GLN : amide:sc= -2.35 K(o=-2.6,f=0) USER MOD Set 2.1: A 13 THR OG1 : rot 171:sc= -1.2 USER MOD Set 2.2: A 70 MET CE :methyl -150:sc= -7.43! (180deg=-12.1!) USER MOD Set 3.1: A 4 ASN : amide:sc= -0.401 K(o=-0.4,f=-1.9!) USER MOD Set 3.2: A 38 HIS : no HD1:sc= 0 X(o=-0.4,f=-0.4) USER MOD Single : A 1 MET CE :methyl -131:sc= 0 (180deg=-0.053) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.378 (180deg=-1.83) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 3 MET CE :methyl -152:sc= -0.0773 (180deg=-1.91!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -126:sc= -0.777 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.0137 X(o=0.014,f=-0.055) USER MOD Single : A 10 MET CE :methyl 178:sc= -1.23 (180deg=-1.32) USER MOD Single : A 18 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.4) USER MOD Single : A 19 HIS : no HD1:sc= -5.06 K(o=-5.1,f=-4.3!) USER MOD Single : A 26 LYS NZ :NH3+ -150:sc= -0.899 (180deg=-1.27) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.01 X(o=-1,f=-0.52) USER MOD Single : A 32 THR OG1 : rot -160:sc= -0.144 USER MOD Single : A 33 HIS : no HD1:sc= -1.97! K(o=-2!,f=-0.69) USER MOD Single : A 36 ASN : amide:sc= -0.0231 K(o=-0.023,f=-0.99) USER MOD Single : A 42 SER OG : rot 150:sc= -1.3! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -3.29! C(o=-3.3!,f=-1.7!) USER MOD Single : A 56 THR OG1 : rot -57:sc= 1.23 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -2.24 X(o=-2.2,f=-2.1!) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.0184 USER MOD Single : A 72 THR OG1 : rot -160:sc= -2.27 USER MOD Single : A 75 ASN : amide:sc= -0.888 K(o=-0.89,f=-0.22) USER MOD Single : A 79 ASN : amide:sc= -0.0992 K(o=-0.099,f=-1.8!) USER MOD Single : A 86 ASN : amide:sc= -0.961 K(o=-0.96,f=-0.46) USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.256) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.995 -1.836 -7.083 1.00 0.00 N ATOM 2 CA MET A 1 186.223 -1.259 -8.216 1.00 0.00 C ATOM 3 C MET A 1 185.054 -2.160 -8.613 1.00 0.00 C ATOM 4 O MET A 1 184.221 -1.778 -9.434 1.00 0.00 O ATOM 5 CB MET A 1 187.172 -1.070 -9.401 1.00 0.00 C ATOM 6 CG MET A 1 188.468 -0.365 -9.035 1.00 0.00 C ATOM 7 SD MET A 1 189.472 0.037 -10.477 1.00 0.00 S ATOM 8 CE MET A 1 188.611 1.481 -11.097 1.00 0.00 C ATOM 0 H1 MET A 1 187.520 -1.079 -6.599 1.00 0.00 H new ATOM 0 H2 MET A 1 186.341 -2.288 -6.412 1.00 0.00 H new ATOM 0 H3 MET A 1 187.665 -2.545 -7.444 1.00 0.00 H new ATOM 0 HA MET A 1 185.803 -0.301 -7.910 1.00 0.00 H new ATOM 0 HB2 MET A 1 187.406 -2.045 -9.827 1.00 0.00 H new ATOM 0 HB3 MET A 1 186.663 -0.497 -10.176 1.00 0.00 H new ATOM 0 HG2 MET A 1 188.237 0.551 -8.491 1.00 0.00 H new ATOM 0 HG3 MET A 1 189.044 -0.999 -8.361 1.00 0.00 H new ATOM 0 HE1 MET A 1 188.433 1.367 -12.166 1.00 0.00 H new ATOM 0 HE2 MET A 1 187.658 1.586 -10.579 1.00 0.00 H new ATOM 0 HE3 MET A 1 189.218 2.369 -10.923 1.00 0.00 H new ATOM 20 N THR A 2 184.995 -3.353 -8.027 1.00 0.00 N ATOM 21 CA THR A 2 183.926 -4.298 -8.322 1.00 0.00 C ATOM 22 C THR A 2 182.563 -3.698 -7.986 1.00 0.00 C ATOM 23 O THR A 2 182.430 -2.485 -7.826 1.00 0.00 O ATOM 24 CB THR A 2 184.137 -5.597 -7.540 1.00 0.00 C ATOM 25 OG1 THR A 2 185.479 -5.704 -7.096 1.00 0.00 O ATOM 26 CG2 THR A 2 183.821 -6.839 -8.345 1.00 0.00 C ATOM 0 H THR A 2 185.676 -3.687 -7.345 1.00 0.00 H new ATOM 0 HA THR A 2 183.950 -4.519 -9.389 1.00 0.00 H new ATOM 0 HB THR A 2 183.445 -5.542 -6.699 1.00 0.00 H new ATOM 0 HG1 THR A 2 185.593 -6.540 -6.597 1.00 0.00 H new ATOM 0 HG21 THR A 2 183.992 -7.724 -7.731 1.00 0.00 H new ATOM 0 HG22 THR A 2 182.778 -6.812 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 2 184.465 -6.877 -9.223 1.00 0.00 H new ATOM 34 N MET A 3 181.551 -4.555 -7.878 1.00 0.00 N ATOM 35 CA MET A 3 180.201 -4.109 -7.559 1.00 0.00 C ATOM 36 C MET A 3 179.383 -5.255 -6.970 1.00 0.00 C ATOM 37 O MET A 3 178.530 -5.834 -7.645 1.00 0.00 O ATOM 38 CB MET A 3 179.513 -3.562 -8.811 1.00 0.00 C ATOM 39 CG MET A 3 178.109 -3.038 -8.554 1.00 0.00 C ATOM 40 SD MET A 3 178.073 -1.257 -8.269 1.00 0.00 S ATOM 41 CE MET A 3 178.461 -1.185 -6.523 1.00 0.00 C ATOM 0 H MET A 3 181.642 -5.563 -8.007 1.00 0.00 H new ATOM 0 HA MET A 3 180.268 -3.313 -6.817 1.00 0.00 H new ATOM 0 HB2 MET A 3 180.121 -2.759 -9.228 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.466 -4.350 -9.563 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.474 -3.278 -9.407 1.00 0.00 H new ATOM 0 HG3 MET A 3 177.687 -3.549 -7.688 1.00 0.00 H new ATOM 0 HE1 MET A 3 178.013 -0.292 -6.087 1.00 0.00 H new ATOM 0 HE2 MET A 3 178.064 -2.070 -6.025 1.00 0.00 H new ATOM 0 HE3 MET A 3 179.542 -1.150 -6.392 1.00 0.00 H new ATOM 51 N ASN A 4 179.653 -5.580 -5.711 1.00 0.00 N ATOM 52 CA ASN A 4 178.947 -6.662 -5.032 1.00 0.00 C ATOM 53 C ASN A 4 177.860 -6.118 -4.111 1.00 0.00 C ATOM 54 O ASN A 4 178.046 -5.101 -3.442 1.00 0.00 O ATOM 55 CB ASN A 4 179.934 -7.515 -4.230 1.00 0.00 C ATOM 56 CG ASN A 4 180.045 -8.929 -4.767 1.00 0.00 C ATOM 57 OD1 ASN A 4 180.103 -9.893 -4.004 1.00 0.00 O ATOM 58 ND2 ASN A 4 180.076 -9.060 -6.088 1.00 0.00 N ATOM 0 H ASN A 4 180.355 -5.110 -5.139 1.00 0.00 H new ATOM 0 HA ASN A 4 178.471 -7.282 -5.791 1.00 0.00 H new ATOM 0 HB2 ASN A 4 180.917 -7.044 -4.249 1.00 0.00 H new ATOM 0 HB3 ASN A 4 179.617 -7.549 -3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 4 180.150 -9.987 -6.507 1.00 0.00 H new ATOM 0 HD22 ASN A 4 180.025 -8.234 -6.684 1.00 0.00 H new ATOM 65 N ILE A 5 176.724 -6.808 -4.081 1.00 0.00 N ATOM 66 CA ILE A 5 175.601 -6.407 -3.242 1.00 0.00 C ATOM 67 C ILE A 5 174.769 -7.622 -2.842 1.00 0.00 C ATOM 68 O ILE A 5 173.878 -8.047 -3.578 1.00 0.00 O ATOM 69 CB ILE A 5 174.692 -5.387 -3.958 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.535 -4.309 -4.645 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.722 -4.758 -2.969 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.710 -3.260 -5.359 1.00 0.00 C ATOM 0 H ILE A 5 176.557 -7.651 -4.631 1.00 0.00 H new ATOM 0 HA ILE A 5 176.018 -5.937 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 5 174.116 -5.910 -4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 5 176.163 -3.821 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.203 -4.785 -5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.087 -4.040 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.102 -5.536 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.282 -4.247 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 5 175.373 -2.529 -5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 5 174.102 -3.737 -6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 5 174.061 -2.758 -4.642 1.00 0.00 H new ATOM 84 N THR A 6 175.072 -8.184 -1.676 1.00 0.00 N ATOM 85 CA THR A 6 174.360 -9.358 -1.185 1.00 0.00 C ATOM 86 C THR A 6 173.444 -9.002 -0.017 1.00 0.00 C ATOM 87 O THR A 6 173.887 -8.922 1.129 1.00 0.00 O ATOM 88 CB THR A 6 175.353 -10.438 -0.757 1.00 0.00 C ATOM 89 OG1 THR A 6 176.210 -10.787 -1.832 1.00 0.00 O ATOM 90 CG2 THR A 6 174.689 -11.707 -0.271 1.00 0.00 C ATOM 0 H THR A 6 175.806 -7.845 -1.054 1.00 0.00 H new ATOM 0 HA THR A 6 173.742 -9.739 -1.998 1.00 0.00 H new ATOM 0 HB THR A 6 175.912 -10.001 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 6 176.839 -11.478 -1.538 1.00 0.00 H new ATOM 0 HG21 THR A 6 175.452 -12.430 0.016 1.00 0.00 H new ATOM 0 HG22 THR A 6 174.060 -11.482 0.590 1.00 0.00 H new ATOM 0 HG23 THR A 6 174.075 -12.125 -1.069 1.00 0.00 H new ATOM 98 N SER A 7 172.169 -8.789 -0.318 1.00 0.00 N ATOM 99 CA SER A 7 171.190 -8.438 0.703 1.00 0.00 C ATOM 100 C SER A 7 170.477 -9.682 1.229 1.00 0.00 C ATOM 101 O SER A 7 170.287 -10.654 0.498 1.00 0.00 O ATOM 102 CB SER A 7 170.173 -7.449 0.133 1.00 0.00 C ATOM 103 OG SER A 7 170.747 -6.159 -0.005 1.00 0.00 O ATOM 0 H SER A 7 171.788 -8.853 -1.262 1.00 0.00 H new ATOM 0 HA SER A 7 171.716 -7.971 1.536 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.821 -7.801 -0.837 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.303 -7.397 0.788 1.00 0.00 H new ATOM 0 HG SER A 7 170.191 -5.502 0.463 1.00 0.00 H new ATOM 109 N LYS A 8 170.089 -9.648 2.500 1.00 0.00 N ATOM 110 CA LYS A 8 169.404 -10.776 3.122 1.00 0.00 C ATOM 111 C LYS A 8 167.900 -10.715 2.876 1.00 0.00 C ATOM 112 O LYS A 8 167.231 -9.769 3.291 1.00 0.00 O ATOM 113 CB LYS A 8 169.684 -10.803 4.629 1.00 0.00 C ATOM 114 CG LYS A 8 170.442 -12.038 5.087 1.00 0.00 C ATOM 115 CD LYS A 8 170.382 -12.203 6.598 1.00 0.00 C ATOM 116 CE LYS A 8 170.935 -10.984 7.320 1.00 0.00 C ATOM 117 NZ LYS A 8 169.857 -10.180 7.960 1.00 0.00 N ATOM 0 H LYS A 8 170.237 -8.851 3.120 1.00 0.00 H new ATOM 0 HA LYS A 8 169.788 -11.690 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 8 170.256 -9.915 4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 8 168.737 -10.748 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 8 170.022 -12.922 4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 8 171.482 -11.966 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 8 169.350 -12.370 6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 8 170.949 -13.087 6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 8 171.648 -11.305 8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 8 171.482 -10.360 6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 170.276 -9.359 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 169.190 -9.852 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 169.351 -10.767 8.654 1.00 0.00 H new ATOM 131 N GLN A 9 167.377 -11.739 2.207 1.00 0.00 N ATOM 132 CA GLN A 9 165.949 -11.817 1.912 1.00 0.00 C ATOM 133 C GLN A 9 165.518 -10.700 0.964 1.00 0.00 C ATOM 134 O GLN A 9 165.230 -10.943 -0.207 1.00 0.00 O ATOM 135 CB GLN A 9 165.123 -11.755 3.204 1.00 0.00 C ATOM 136 CG GLN A 9 165.766 -12.458 4.392 1.00 0.00 C ATOM 137 CD GLN A 9 165.420 -11.793 5.708 1.00 0.00 C ATOM 138 OE1 GLN A 9 164.941 -12.441 6.640 1.00 0.00 O ATOM 139 NE2 GLN A 9 165.659 -10.488 5.790 1.00 0.00 N ATOM 0 H GLN A 9 167.922 -12.528 1.858 1.00 0.00 H new ATOM 0 HA GLN A 9 165.767 -12.773 1.422 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.953 -10.710 3.463 1.00 0.00 H new ATOM 0 HB3 GLN A 9 164.146 -12.200 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 9 165.440 -13.498 4.416 1.00 0.00 H new ATOM 0 HG3 GLN A 9 166.849 -12.466 4.265 1.00 0.00 H new ATOM 0 HE21 GLN A 9 166.057 -9.991 4.993 1.00 0.00 H new ATOM 0 HE22 GLN A 9 165.445 -9.983 6.650 1.00 0.00 H new ATOM 148 N MET A 10 165.475 -9.474 1.479 1.00 0.00 N ATOM 149 CA MET A 10 165.075 -8.321 0.680 1.00 0.00 C ATOM 150 C MET A 10 166.040 -8.103 -0.481 1.00 0.00 C ATOM 151 O MET A 10 167.245 -7.951 -0.282 1.00 0.00 O ATOM 152 CB MET A 10 165.009 -7.067 1.557 1.00 0.00 C ATOM 153 CG MET A 10 164.823 -5.775 0.775 1.00 0.00 C ATOM 154 SD MET A 10 163.415 -5.835 -0.349 1.00 0.00 S ATOM 155 CE MET A 10 162.054 -5.674 0.806 1.00 0.00 C ATOM 0 H MET A 10 165.712 -9.254 2.446 1.00 0.00 H new ATOM 0 HA MET A 10 164.085 -8.517 0.268 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.186 -7.173 2.264 1.00 0.00 H new ATOM 0 HB3 MET A 10 165.926 -6.997 2.143 1.00 0.00 H new ATOM 0 HG2 MET A 10 164.689 -4.949 1.474 1.00 0.00 H new ATOM 0 HG3 MET A 10 165.729 -5.567 0.205 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.112 -5.658 0.258 1.00 0.00 H new ATOM 0 HE2 MET A 10 162.059 -6.519 1.495 1.00 0.00 H new ATOM 0 HE3 MET A 10 162.162 -4.747 1.369 1.00 0.00 H new ATOM 165 N GLU A 11 165.498 -8.084 -1.695 1.00 0.00 N ATOM 166 CA GLU A 11 166.305 -7.878 -2.890 1.00 0.00 C ATOM 167 C GLU A 11 166.629 -6.398 -3.070 1.00 0.00 C ATOM 168 O GLU A 11 165.993 -5.538 -2.461 1.00 0.00 O ATOM 169 CB GLU A 11 165.576 -8.408 -4.126 1.00 0.00 C ATOM 170 CG GLU A 11 164.974 -9.790 -3.935 1.00 0.00 C ATOM 171 CD GLU A 11 165.969 -10.902 -4.207 1.00 0.00 C ATOM 172 OE1 GLU A 11 166.688 -11.299 -3.266 1.00 0.00 O ATOM 173 OE2 GLU A 11 166.030 -11.375 -5.361 1.00 0.00 O ATOM 0 H GLU A 11 164.502 -8.209 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 11 167.238 -8.428 -2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 11 164.783 -7.710 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 11 166.273 -8.438 -4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 11 164.602 -9.882 -2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 11 164.117 -9.904 -4.599 1.00 0.00 H new ATOM 180 N ILE A 12 167.618 -6.108 -3.906 1.00 0.00 N ATOM 181 CA ILE A 12 168.021 -4.729 -4.158 1.00 0.00 C ATOM 182 C ILE A 12 167.059 -4.044 -5.122 1.00 0.00 C ATOM 183 O ILE A 12 167.103 -4.275 -6.331 1.00 0.00 O ATOM 184 CB ILE A 12 169.453 -4.645 -4.731 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.335 -5.763 -4.163 1.00 0.00 C ATOM 186 CG2 ILE A 12 170.061 -3.284 -4.430 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.234 -5.918 -2.661 1.00 0.00 C ATOM 0 H ILE A 12 168.155 -6.807 -4.420 1.00 0.00 H new ATOM 0 HA ILE A 12 167.998 -4.217 -3.196 1.00 0.00 H new ATOM 0 HB ILE A 12 169.398 -4.773 -5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 12 170.059 -6.706 -4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.373 -5.565 -4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 12 171.070 -3.238 -4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.450 -2.504 -4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 12 170.100 -3.133 -3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 12 170.886 -6.728 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.539 -4.989 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.204 -6.148 -2.387 1.00 0.00 H new ATOM 199 N THR A 13 166.186 -3.201 -4.578 1.00 0.00 N ATOM 200 CA THR A 13 165.209 -2.480 -5.386 1.00 0.00 C ATOM 201 C THR A 13 165.877 -1.349 -6.166 1.00 0.00 C ATOM 202 O THR A 13 166.929 -0.849 -5.768 1.00 0.00 O ATOM 203 CB THR A 13 164.098 -1.914 -4.498 1.00 0.00 C ATOM 204 OG1 THR A 13 164.537 -0.747 -3.828 1.00 0.00 O ATOM 205 CG2 THR A 13 163.616 -2.893 -3.446 1.00 0.00 C ATOM 0 H THR A 13 166.136 -3.001 -3.579 1.00 0.00 H new ATOM 0 HA THR A 13 164.774 -3.182 -6.097 1.00 0.00 H new ATOM 0 HB THR A 13 163.272 -1.694 -5.174 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.776 -0.320 -3.382 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.829 -2.430 -2.851 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.225 -3.786 -3.933 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.447 -3.168 -2.797 1.00 0.00 H new ATOM 213 N PRO A 14 165.273 -0.927 -7.290 1.00 0.00 N ATOM 214 CA PRO A 14 165.814 0.151 -8.123 1.00 0.00 C ATOM 215 C PRO A 14 166.128 1.402 -7.310 1.00 0.00 C ATOM 216 O PRO A 14 167.115 2.091 -7.570 1.00 0.00 O ATOM 217 CB PRO A 14 164.695 0.436 -9.138 1.00 0.00 C ATOM 218 CG PRO A 14 163.495 -0.296 -8.632 1.00 0.00 C ATOM 219 CD PRO A 14 164.019 -1.456 -7.838 1.00 0.00 C ATOM 0 HA PRO A 14 166.757 -0.135 -8.590 1.00 0.00 H new ATOM 0 HB2 PRO A 14 164.498 1.505 -9.214 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.973 0.091 -10.134 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.876 0.352 -8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.871 -0.639 -9.457 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.327 -1.755 -7.051 1.00 0.00 H new ATOM 0 HD3 PRO A 14 164.188 -2.333 -8.464 1.00 0.00 H new ATOM 227 N ALA A 15 165.286 1.688 -6.324 1.00 0.00 N ATOM 228 CA ALA A 15 165.477 2.855 -5.471 1.00 0.00 C ATOM 229 C ALA A 15 166.705 2.686 -4.584 1.00 0.00 C ATOM 230 O ALA A 15 167.513 3.603 -4.442 1.00 0.00 O ATOM 231 CB ALA A 15 164.238 3.093 -4.620 1.00 0.00 C ATOM 0 H ALA A 15 164.465 1.128 -6.095 1.00 0.00 H new ATOM 0 HA ALA A 15 165.637 3.723 -6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.393 3.967 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.378 3.262 -5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 15 164.054 2.220 -3.994 1.00 0.00 H new ATOM 237 N ILE A 16 166.840 1.505 -3.989 1.00 0.00 N ATOM 238 CA ILE A 16 167.968 1.212 -3.117 1.00 0.00 C ATOM 239 C ILE A 16 169.270 1.130 -3.907 1.00 0.00 C ATOM 240 O ILE A 16 170.273 1.740 -3.536 1.00 0.00 O ATOM 241 CB ILE A 16 167.758 -0.110 -2.352 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.413 -0.095 -1.624 1.00 0.00 C ATOM 243 CG2 ILE A 16 168.896 -0.348 -1.370 1.00 0.00 C ATOM 244 CD1 ILE A 16 165.926 -1.471 -1.224 1.00 0.00 C ATOM 0 H ILE A 16 166.180 0.735 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 16 168.034 2.031 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 16 167.753 -0.929 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.499 0.525 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.667 0.373 -2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 16 168.729 -1.286 -0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 16 169.840 -0.401 -1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 16 168.935 0.472 -0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 16 164.967 -1.383 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 16 165.807 -2.088 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 16 166.652 -1.934 -0.556 1.00 0.00 H new ATOM 256 N ARG A 17 169.249 0.371 -4.999 1.00 0.00 N ATOM 257 CA ARG A 17 170.429 0.210 -5.840 1.00 0.00 C ATOM 258 C ARG A 17 170.922 1.564 -6.349 1.00 0.00 C ATOM 259 O ARG A 17 172.118 1.761 -6.566 1.00 0.00 O ATOM 260 CB ARG A 17 170.124 -0.733 -7.013 1.00 0.00 C ATOM 261 CG ARG A 17 169.675 -0.032 -8.286 1.00 0.00 C ATOM 262 CD ARG A 17 170.855 0.277 -9.195 1.00 0.00 C ATOM 263 NE ARG A 17 171.465 -0.939 -9.731 1.00 0.00 N ATOM 264 CZ ARG A 17 171.004 -1.596 -10.792 1.00 0.00 C ATOM 265 NH1 ARG A 17 169.931 -1.157 -11.440 1.00 0.00 N ATOM 266 NH2 ARG A 17 171.617 -2.695 -11.209 1.00 0.00 N ATOM 0 H ARG A 17 168.428 -0.141 -5.321 1.00 0.00 H new ATOM 0 HA ARG A 17 171.222 -0.233 -5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 17 171.016 -1.320 -7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.348 -1.434 -6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 17 168.960 -0.661 -8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.158 0.893 -8.031 1.00 0.00 H new ATOM 0 HD2 ARG A 17 170.523 0.910 -10.018 1.00 0.00 H new ATOM 0 HD3 ARG A 17 171.602 0.843 -8.639 1.00 0.00 H new ATOM 0 HE ARG A 17 172.294 -1.306 -9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 17 169.455 -0.311 -11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 17 169.583 -1.665 -12.253 1.00 0.00 H new ATOM 0 HH21 ARG A 17 172.442 -3.037 -10.716 1.00 0.00 H new ATOM 0 HH22 ARG A 17 171.264 -3.199 -12.022 1.00 0.00 H new ATOM 280 N GLN A 18 169.990 2.494 -6.535 1.00 0.00 N ATOM 281 CA GLN A 18 170.326 3.829 -7.018 1.00 0.00 C ATOM 282 C GLN A 18 171.087 4.614 -5.957 1.00 0.00 C ATOM 283 O GLN A 18 172.107 5.240 -6.245 1.00 0.00 O ATOM 284 CB GLN A 18 169.056 4.583 -7.419 1.00 0.00 C ATOM 285 CG GLN A 18 168.701 4.435 -8.889 1.00 0.00 C ATOM 286 CD GLN A 18 169.831 4.862 -9.805 1.00 0.00 C ATOM 287 OE1 GLN A 18 170.328 4.071 -10.608 1.00 0.00 O ATOM 288 NE2 GLN A 18 170.244 6.119 -9.689 1.00 0.00 N ATOM 0 H GLN A 18 168.996 2.348 -6.359 1.00 0.00 H new ATOM 0 HA GLN A 18 170.967 3.723 -7.893 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.223 4.223 -6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 18 169.183 5.641 -7.189 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.444 3.396 -9.095 1.00 0.00 H new ATOM 0 HG3 GLN A 18 167.815 5.032 -9.107 1.00 0.00 H new ATOM 0 HE21 GLN A 18 169.804 6.740 -9.010 1.00 0.00 H new ATOM 0 HE22 GLN A 18 171.002 6.463 -10.279 1.00 0.00 H new ATOM 297 N HIS A 19 170.584 4.576 -4.727 1.00 0.00 N ATOM 298 CA HIS A 19 171.218 5.284 -3.620 1.00 0.00 C ATOM 299 C HIS A 19 172.664 4.829 -3.441 1.00 0.00 C ATOM 300 O HIS A 19 173.580 5.648 -3.396 1.00 0.00 O ATOM 301 CB HIS A 19 170.431 5.055 -2.328 1.00 0.00 C ATOM 302 CG HIS A 19 169.881 6.312 -1.728 1.00 0.00 C ATOM 303 ND1 HIS A 19 170.532 7.035 -0.750 1.00 0.00 N ATOM 304 CD2 HIS A 19 168.725 6.973 -1.972 1.00 0.00 C ATOM 305 CE1 HIS A 19 169.798 8.082 -0.417 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.698 8.067 -1.144 1.00 0.00 N ATOM 0 H HIS A 19 169.740 4.063 -4.472 1.00 0.00 H new ATOM 0 HA HIS A 19 171.220 6.349 -3.852 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.608 4.369 -2.531 1.00 0.00 H new ATOM 0 HB3 HIS A 19 171.079 4.568 -1.599 1.00 0.00 H new ATOM 0 HD2 HIS A 19 167.965 6.692 -2.686 1.00 0.00 H new ATOM 0 HE1 HIS A 19 170.055 8.824 0.325 1.00 0.00 H new ATOM 0 HE2 HIS A 19 167.948 8.757 -1.098 1.00 0.00 H new ATOM 315 N VAL A 20 172.858 3.517 -3.342 1.00 0.00 N ATOM 316 CA VAL A 20 174.191 2.956 -3.172 1.00 0.00 C ATOM 317 C VAL A 20 175.073 3.280 -4.373 1.00 0.00 C ATOM 318 O VAL A 20 176.263 3.558 -4.226 1.00 0.00 O ATOM 319 CB VAL A 20 174.139 1.426 -2.981 1.00 0.00 C ATOM 320 CG1 VAL A 20 175.531 0.869 -2.717 1.00 0.00 C ATOM 321 CG2 VAL A 20 173.190 1.060 -1.850 1.00 0.00 C ATOM 0 H VAL A 20 172.109 2.825 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 20 174.616 3.408 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 20 173.763 0.979 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 20 175.472 -0.211 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 20 176.180 1.096 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 20 175.939 1.323 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 20 173.167 -0.023 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 20 173.534 1.520 -0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 20 172.188 1.421 -2.084 1.00 0.00 H new ATOM 331 N ALA A 21 174.479 3.245 -5.562 1.00 0.00 N ATOM 332 CA ALA A 21 175.208 3.540 -6.788 1.00 0.00 C ATOM 333 C ALA A 21 175.705 4.981 -6.791 1.00 0.00 C ATOM 334 O ALA A 21 176.826 5.261 -7.216 1.00 0.00 O ATOM 335 CB ALA A 21 174.326 3.280 -8.002 1.00 0.00 C ATOM 0 H ALA A 21 173.495 3.015 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 21 176.075 2.882 -6.837 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.883 3.505 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 21 174.021 2.234 -8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.442 3.915 -7.952 1.00 0.00 H new ATOM 341 N ASP A 22 174.865 5.891 -6.309 1.00 0.00 N ATOM 342 CA ASP A 22 175.221 7.304 -6.250 1.00 0.00 C ATOM 343 C ASP A 22 176.294 7.543 -5.194 1.00 0.00 C ATOM 344 O ASP A 22 177.273 8.248 -5.438 1.00 0.00 O ATOM 345 CB ASP A 22 173.984 8.149 -5.942 1.00 0.00 C ATOM 346 CG ASP A 22 174.197 9.619 -6.254 1.00 0.00 C ATOM 347 OD1 ASP A 22 175.368 10.042 -6.351 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.192 10.345 -6.402 1.00 0.00 O ATOM 0 H ASP A 22 173.933 5.675 -5.954 1.00 0.00 H new ATOM 0 HA ASP A 22 175.618 7.599 -7.221 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.139 7.776 -6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.724 8.037 -4.889 1.00 0.00 H new ATOM 353 N ARG A 23 176.102 6.951 -4.020 1.00 0.00 N ATOM 354 CA ARG A 23 177.055 7.096 -2.927 1.00 0.00 C ATOM 355 C ARG A 23 178.416 6.532 -3.320 1.00 0.00 C ATOM 356 O ARG A 23 179.450 7.159 -3.087 1.00 0.00 O ATOM 357 CB ARG A 23 176.538 6.387 -1.673 1.00 0.00 C ATOM 358 CG ARG A 23 177.281 6.776 -0.405 1.00 0.00 C ATOM 359 CD ARG A 23 177.843 5.557 0.311 1.00 0.00 C ATOM 360 NE ARG A 23 178.808 4.834 -0.515 1.00 0.00 N ATOM 361 CZ ARG A 23 179.185 3.578 -0.285 1.00 0.00 C ATOM 362 NH1 ARG A 23 178.683 2.904 0.741 1.00 0.00 N ATOM 363 NH2 ARG A 23 180.067 2.995 -1.086 1.00 0.00 N ATOM 0 H ARG A 23 175.295 6.367 -3.802 1.00 0.00 H new ATOM 0 HA ARG A 23 177.168 8.159 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 23 175.479 6.614 -1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 23 176.619 5.309 -1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 23 178.093 7.459 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 23 176.607 7.312 0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 23 178.322 5.870 1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 23 177.027 4.888 0.584 1.00 0.00 H new ATOM 0 HE ARG A 23 179.216 5.320 -1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 23 178.004 3.348 1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 23 178.976 1.942 0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 23 180.455 3.509 -1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 23 180.357 2.033 -0.911 1.00 0.00 H new ATOM 377 N LEU A 24 178.406 5.346 -3.923 1.00 0.00 N ATOM 378 CA LEU A 24 179.640 4.701 -4.353 1.00 0.00 C ATOM 379 C LEU A 24 180.326 5.520 -5.441 1.00 0.00 C ATOM 380 O LEU A 24 181.554 5.548 -5.531 1.00 0.00 O ATOM 381 CB LEU A 24 179.350 3.289 -4.867 1.00 0.00 C ATOM 382 CG LEU A 24 180.435 2.253 -4.558 1.00 0.00 C ATOM 383 CD1 LEU A 24 179.906 1.189 -3.606 1.00 0.00 C ATOM 384 CD2 LEU A 24 180.946 1.612 -5.841 1.00 0.00 C ATOM 0 H LEU A 24 177.559 4.815 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 24 180.308 4.636 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.409 2.947 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 24 179.208 3.333 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 24 181.267 2.765 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 24 180.692 0.463 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 24 179.591 1.659 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 24 179.055 0.683 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 24 181.716 0.879 -5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 24 180.121 1.117 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 24 181.367 2.381 -6.489 1.00 0.00 H new ATOM 396 N ALA A 25 179.523 6.189 -6.264 1.00 0.00 N ATOM 397 CA ALA A 25 180.051 7.013 -7.344 1.00 0.00 C ATOM 398 C ALA A 25 180.902 8.150 -6.794 1.00 0.00 C ATOM 399 O ALA A 25 182.095 8.244 -7.085 1.00 0.00 O ATOM 400 CB ALA A 25 178.914 7.564 -8.190 1.00 0.00 C ATOM 0 H ALA A 25 178.505 6.176 -6.203 1.00 0.00 H new ATOM 0 HA ALA A 25 180.685 6.388 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.322 8.178 -8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.345 6.738 -8.618 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.258 8.172 -7.567 1.00 0.00 H new ATOM 406 N LYS A 26 180.284 9.011 -5.991 1.00 0.00 N ATOM 407 CA LYS A 26 180.988 10.140 -5.395 1.00 0.00 C ATOM 408 C LYS A 26 182.150 9.658 -4.532 1.00 0.00 C ATOM 409 O LYS A 26 183.157 10.351 -4.385 1.00 0.00 O ATOM 410 CB LYS A 26 180.027 10.981 -4.552 1.00 0.00 C ATOM 411 CG LYS A 26 178.691 11.240 -5.229 1.00 0.00 C ATOM 412 CD LYS A 26 177.920 12.354 -4.538 1.00 0.00 C ATOM 413 CE LYS A 26 177.654 12.026 -3.077 1.00 0.00 C ATOM 414 NZ LYS A 26 177.210 10.617 -2.893 1.00 0.00 N ATOM 0 H LYS A 26 179.298 8.948 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 26 181.386 10.756 -6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 26 179.852 10.475 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 26 180.499 11.936 -4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 26 178.857 11.505 -6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 26 178.096 10.327 -5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 26 178.484 13.284 -4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 26 176.973 12.517 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 26 178.560 12.199 -2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 26 176.891 12.700 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 176.582 10.556 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 176.698 10.301 -3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 178.040 10.008 -2.743 1.00 0.00 H new ATOM 428 N LEU A 27 182.004 8.462 -3.969 1.00 0.00 N ATOM 429 CA LEU A 27 183.041 7.883 -3.123 1.00 0.00 C ATOM 430 C LEU A 27 184.363 7.770 -3.879 1.00 0.00 C ATOM 431 O LEU A 27 185.432 7.702 -3.272 1.00 0.00 O ATOM 432 CB LEU A 27 182.607 6.504 -2.619 1.00 0.00 C ATOM 433 CG LEU A 27 182.935 6.218 -1.151 1.00 0.00 C ATOM 434 CD1 LEU A 27 182.228 4.954 -0.685 1.00 0.00 C ATOM 435 CD2 LEU A 27 184.439 6.096 -0.954 1.00 0.00 C ATOM 0 H LEU A 27 181.177 7.875 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 27 183.189 8.544 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 27 181.531 6.404 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 27 183.082 5.742 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 27 182.578 7.053 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 27 182.472 4.765 0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 27 181.150 5.080 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 27 182.555 4.110 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 27 184.653 5.893 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 27 184.821 5.280 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 27 184.921 7.028 -1.249 1.00 0.00 H new ATOM 447 N GLU A 28 184.286 7.753 -5.206 1.00 0.00 N ATOM 448 CA GLU A 28 185.480 7.652 -6.036 1.00 0.00 C ATOM 449 C GLU A 28 186.420 8.829 -5.788 1.00 0.00 C ATOM 450 O GLU A 28 187.611 8.755 -6.092 1.00 0.00 O ATOM 451 CB GLU A 28 185.093 7.597 -7.515 1.00 0.00 C ATOM 452 CG GLU A 28 184.663 6.214 -7.980 1.00 0.00 C ATOM 453 CD GLU A 28 183.362 6.239 -8.757 1.00 0.00 C ATOM 454 OE1 GLU A 28 183.113 7.235 -9.470 1.00 0.00 O ATOM 455 OE2 GLU A 28 182.589 5.263 -8.653 1.00 0.00 O ATOM 0 H GLU A 28 183.411 7.808 -5.728 1.00 0.00 H new ATOM 0 HA GLU A 28 186.001 6.733 -5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.281 8.301 -7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 28 185.940 7.926 -8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 28 185.447 5.785 -8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 28 184.552 5.562 -7.114 1.00 0.00 H new ATOM 462 N LYS A 29 185.881 9.914 -5.236 1.00 0.00 N ATOM 463 CA LYS A 29 186.679 11.101 -4.954 1.00 0.00 C ATOM 464 C LYS A 29 187.145 11.131 -3.499 1.00 0.00 C ATOM 465 O LYS A 29 187.615 12.160 -3.013 1.00 0.00 O ATOM 466 CB LYS A 29 185.874 12.365 -5.269 1.00 0.00 C ATOM 467 CG LYS A 29 185.890 12.745 -6.741 1.00 0.00 C ATOM 468 CD LYS A 29 185.895 14.253 -6.928 1.00 0.00 C ATOM 469 CE LYS A 29 187.299 14.824 -6.807 1.00 0.00 C ATOM 470 NZ LYS A 29 187.295 16.312 -6.799 1.00 0.00 N ATOM 0 H LYS A 29 184.898 9.994 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 29 187.563 11.065 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 29 184.842 12.217 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 29 186.272 13.194 -4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 29 186.770 12.315 -7.219 1.00 0.00 H new ATOM 0 HG3 LYS A 29 185.018 12.319 -7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 29 185.483 14.501 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 29 185.247 14.715 -6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 29 187.762 14.457 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 29 187.909 14.467 -7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 188.271 16.661 -6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 186.877 16.663 -7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 186.735 16.653 -5.992 1.00 0.00 H new ATOM 484 N TRP A 30 187.023 10.000 -2.810 1.00 0.00 N ATOM 485 CA TRP A 30 187.444 9.909 -1.416 1.00 0.00 C ATOM 486 C TRP A 30 188.847 9.314 -1.314 1.00 0.00 C ATOM 487 O TRP A 30 189.226 8.775 -0.277 1.00 0.00 O ATOM 488 CB TRP A 30 186.459 9.056 -0.613 1.00 0.00 C ATOM 489 CG TRP A 30 185.530 9.860 0.245 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.224 10.162 -0.019 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.832 10.462 1.510 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.697 10.914 1.002 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.664 11.112 1.953 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.977 10.515 2.311 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.609 11.803 3.160 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.920 11.202 3.508 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.744 11.838 3.923 1.00 0.00 C ATOM 0 H TRP A 30 186.637 9.137 -3.193 1.00 0.00 H new ATOM 0 HA TRP A 30 187.459 10.917 -1.001 1.00 0.00 H new ATOM 0 HB2 TRP A 30 185.871 8.450 -1.302 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.019 8.367 0.019 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.684 9.854 -0.902 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.741 11.268 1.046 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.889 10.028 1.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.703 12.294 3.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.798 11.249 4.135 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.733 12.367 4.865 1.00 0.00 H new ATOM 508 N GLN A 31 189.612 9.406 -2.402 1.00 0.00 N ATOM 509 CA GLN A 31 190.976 8.875 -2.446 1.00 0.00 C ATOM 510 C GLN A 31 191.081 7.499 -1.782 1.00 0.00 C ATOM 511 O GLN A 31 192.163 7.088 -1.359 1.00 0.00 O ATOM 512 CB GLN A 31 191.940 9.853 -1.770 1.00 0.00 C ATOM 513 CG GLN A 31 193.252 10.027 -2.517 1.00 0.00 C ATOM 514 CD GLN A 31 193.050 10.450 -3.959 1.00 0.00 C ATOM 515 OE1 GLN A 31 192.918 11.637 -4.258 1.00 0.00 O ATOM 516 NE2 GLN A 31 193.024 9.477 -4.865 1.00 0.00 N ATOM 0 H GLN A 31 189.308 9.846 -3.270 1.00 0.00 H new ATOM 0 HA GLN A 31 191.246 8.756 -3.495 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.453 10.824 -1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.150 9.503 -0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 31 193.861 10.772 -2.005 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.807 9.089 -2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 31 193.137 8.506 -4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 31 192.891 9.702 -5.851 1.00 0.00 H new ATOM 525 N THR A 32 189.958 6.794 -1.686 1.00 0.00 N ATOM 526 CA THR A 32 189.937 5.472 -1.066 1.00 0.00 C ATOM 527 C THR A 32 190.048 4.358 -2.107 1.00 0.00 C ATOM 528 O THR A 32 189.980 3.180 -1.765 1.00 0.00 O ATOM 529 CB THR A 32 188.658 5.295 -0.247 1.00 0.00 C ATOM 530 OG1 THR A 32 187.624 6.126 -0.745 1.00 0.00 O ATOM 531 CG2 THR A 32 188.841 5.618 1.219 1.00 0.00 C ATOM 0 H THR A 32 189.052 7.114 -2.028 1.00 0.00 H new ATOM 0 HA THR A 32 190.803 5.402 -0.408 1.00 0.00 H new ATOM 0 HB THR A 32 188.396 4.241 -0.342 1.00 0.00 H new ATOM 0 HG1 THR A 32 186.940 6.248 -0.053 1.00 0.00 H new ATOM 0 HG21 THR A 32 187.897 5.472 1.744 1.00 0.00 H new ATOM 0 HG22 THR A 32 189.598 4.960 1.645 1.00 0.00 H new ATOM 0 HG23 THR A 32 189.160 6.655 1.326 1.00 0.00 H new ATOM 539 N HIS A 33 190.228 4.737 -3.369 1.00 0.00 N ATOM 540 CA HIS A 33 190.362 3.770 -4.462 1.00 0.00 C ATOM 541 C HIS A 33 189.141 2.855 -4.580 1.00 0.00 C ATOM 542 O HIS A 33 188.438 2.878 -5.590 1.00 0.00 O ATOM 543 CB HIS A 33 191.625 2.931 -4.270 1.00 0.00 C ATOM 544 CG HIS A 33 192.885 3.737 -4.327 1.00 0.00 C ATOM 545 ND1 HIS A 33 193.930 3.442 -5.178 1.00 0.00 N ATOM 546 CD2 HIS A 33 193.264 4.839 -3.637 1.00 0.00 C ATOM 547 CE1 HIS A 33 194.896 4.326 -5.008 1.00 0.00 C ATOM 548 NE2 HIS A 33 194.516 5.186 -4.080 1.00 0.00 N ATOM 0 H HIS A 33 190.285 5.712 -3.664 1.00 0.00 H new ATOM 0 HA HIS A 33 190.435 4.338 -5.389 1.00 0.00 H new ATOM 0 HB2 HIS A 33 191.571 2.421 -3.308 1.00 0.00 H new ATOM 0 HB3 HIS A 33 191.660 2.159 -5.039 1.00 0.00 H new ATOM 0 HD2 HIS A 33 192.688 5.350 -2.879 1.00 0.00 H new ATOM 0 HE1 HIS A 33 195.837 4.343 -5.538 1.00 0.00 H new ATOM 0 HE2 HIS A 33 195.064 5.979 -3.747 1.00 0.00 H new ATOM 557 N LEU A 34 188.907 2.045 -3.550 1.00 0.00 N ATOM 558 CA LEU A 34 187.786 1.105 -3.525 1.00 0.00 C ATOM 559 C LEU A 34 188.076 -0.097 -4.411 1.00 0.00 C ATOM 560 O LEU A 34 188.062 0.003 -5.638 1.00 0.00 O ATOM 561 CB LEU A 34 186.475 1.775 -3.958 1.00 0.00 C ATOM 562 CG LEU A 34 186.012 2.941 -3.082 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.134 2.592 -1.605 1.00 0.00 C ATOM 564 CD2 LEU A 34 186.812 4.190 -3.400 1.00 0.00 C ATOM 0 H LEU A 34 189.487 2.021 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 34 187.666 0.768 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.591 2.135 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.689 1.020 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 34 184.962 3.135 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 34 185.799 3.436 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 34 185.516 1.721 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.174 2.368 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 34 186.471 5.011 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 34 187.869 4.003 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.671 4.455 -4.448 1.00 0.00 H new ATOM 576 N ILE A 35 188.350 -1.230 -3.776 1.00 0.00 N ATOM 577 CA ILE A 35 188.659 -2.460 -4.499 1.00 0.00 C ATOM 578 C ILE A 35 187.499 -3.450 -4.430 1.00 0.00 C ATOM 579 O ILE A 35 186.937 -3.834 -5.455 1.00 0.00 O ATOM 580 CB ILE A 35 189.928 -3.142 -3.946 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.932 -2.100 -3.449 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.559 -4.025 -5.013 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.306 -1.071 -4.493 1.00 0.00 C ATOM 0 H ILE A 35 188.365 -1.324 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 35 188.831 -2.174 -5.537 1.00 0.00 H new ATOM 0 HB ILE A 35 189.642 -3.767 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.513 -1.589 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 35 191.835 -2.610 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.453 -4.500 -4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.847 -4.792 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.829 -3.416 -5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 35 192.021 -0.366 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.755 -1.570 -5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 35 190.412 -0.534 -4.812 1.00 0.00 H new ATOM 595 N ASN A 36 187.150 -3.866 -3.216 1.00 0.00 N ATOM 596 CA ASN A 36 186.062 -4.817 -3.017 1.00 0.00 C ATOM 597 C ASN A 36 184.861 -4.147 -2.353 1.00 0.00 C ATOM 598 O ASN A 36 184.722 -4.173 -1.131 1.00 0.00 O ATOM 599 CB ASN A 36 186.539 -5.993 -2.160 1.00 0.00 C ATOM 600 CG ASN A 36 185.615 -7.190 -2.254 1.00 0.00 C ATOM 601 OD1 ASN A 36 185.038 -7.463 -3.307 1.00 0.00 O ATOM 602 ND2 ASN A 36 185.472 -7.915 -1.151 1.00 0.00 N ATOM 0 H ASN A 36 187.605 -3.559 -2.356 1.00 0.00 H new ATOM 0 HA ASN A 36 185.753 -5.185 -3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.541 -6.285 -2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 36 186.612 -5.675 -1.120 1.00 0.00 H new ATOM 0 HD21 ASN A 36 184.865 -8.735 -1.155 1.00 0.00 H new ATOM 0 HD22 ASN A 36 185.969 -7.652 -0.300 1.00 0.00 H new ATOM 609 N PRO A 37 183.975 -3.532 -3.156 1.00 0.00 N ATOM 610 CA PRO A 37 182.785 -2.850 -2.645 1.00 0.00 C ATOM 611 C PRO A 37 181.638 -3.813 -2.357 1.00 0.00 C ATOM 612 O PRO A 37 180.851 -4.138 -3.245 1.00 0.00 O ATOM 613 CB PRO A 37 182.418 -1.914 -3.792 1.00 0.00 C ATOM 614 CG PRO A 37 182.848 -2.644 -5.017 1.00 0.00 C ATOM 615 CD PRO A 37 184.067 -3.446 -4.628 1.00 0.00 C ATOM 0 HA PRO A 37 182.972 -2.347 -1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.348 -1.706 -3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 37 182.928 -0.955 -3.701 1.00 0.00 H new ATOM 0 HG2 PRO A 37 182.053 -3.296 -5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 37 183.082 -1.948 -5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.060 -4.434 -5.088 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.987 -2.954 -4.944 1.00 0.00 H new ATOM 623 N HIS A 38 181.545 -4.261 -1.109 1.00 0.00 N ATOM 624 CA HIS A 38 180.487 -5.180 -0.705 1.00 0.00 C ATOM 625 C HIS A 38 179.363 -4.427 -0.001 1.00 0.00 C ATOM 626 O HIS A 38 179.607 -3.662 0.932 1.00 0.00 O ATOM 627 CB HIS A 38 181.047 -6.271 0.212 1.00 0.00 C ATOM 628 CG HIS A 38 180.776 -7.660 -0.276 1.00 0.00 C ATOM 629 ND1 HIS A 38 181.772 -8.515 -0.704 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.614 -8.344 -0.404 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.233 -9.664 -1.074 1.00 0.00 C ATOM 632 NE2 HIS A 38 179.928 -9.585 -0.902 1.00 0.00 N ATOM 0 H HIS A 38 182.189 -4.003 -0.361 1.00 0.00 H new ATOM 0 HA HIS A 38 180.082 -5.650 -1.601 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.124 -6.133 0.312 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.617 -6.154 1.207 1.00 0.00 H new ATOM 0 HD2 HIS A 38 178.626 -7.982 -0.160 1.00 0.00 H new ATOM 0 HE1 HIS A 38 181.770 -10.521 -1.453 1.00 0.00 H new ATOM 0 HE2 HIS A 38 179.259 -10.327 -1.106 1.00 0.00 H new ATOM 641 N ILE A 39 178.134 -4.644 -0.453 1.00 0.00 N ATOM 642 CA ILE A 39 176.978 -3.979 0.136 1.00 0.00 C ATOM 643 C ILE A 39 175.938 -4.988 0.603 1.00 0.00 C ATOM 644 O ILE A 39 175.379 -5.739 -0.198 1.00 0.00 O ATOM 645 CB ILE A 39 176.320 -3.005 -0.861 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.382 -2.115 -1.511 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.263 -2.161 -0.161 1.00 0.00 C ATOM 648 CD1 ILE A 39 178.091 -1.206 -0.532 1.00 0.00 C ATOM 0 H ILE A 39 177.912 -5.274 -1.224 1.00 0.00 H new ATOM 0 HA ILE A 39 177.344 -3.417 0.995 1.00 0.00 H new ATOM 0 HB ILE A 39 175.830 -3.584 -1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.119 -2.746 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 39 176.911 -1.507 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.808 -1.479 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.496 -2.812 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.728 -1.587 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 39 178.829 -0.605 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 39 177.364 -0.549 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.591 -1.808 0.227 1.00 0.00 H new ATOM 660 N ILE A 40 175.684 -5.003 1.908 1.00 0.00 N ATOM 661 CA ILE A 40 174.712 -5.920 2.489 1.00 0.00 C ATOM 662 C ILE A 40 173.527 -5.161 3.078 1.00 0.00 C ATOM 663 O ILE A 40 173.494 -4.873 4.274 1.00 0.00 O ATOM 664 CB ILE A 40 175.349 -6.787 3.591 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.680 -7.368 3.108 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.398 -7.900 4.007 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.482 -8.034 4.206 1.00 0.00 C ATOM 0 H ILE A 40 176.139 -4.389 2.583 1.00 0.00 H new ATOM 0 HA ILE A 40 174.364 -6.566 1.683 1.00 0.00 H new ATOM 0 HB ILE A 40 175.543 -6.158 4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.485 -8.095 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 40 177.277 -6.570 2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.863 -8.504 4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.474 -7.465 4.388 1.00 0.00 H new ATOM 0 HG23 ILE A 40 174.175 -8.529 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.412 -8.423 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.708 -7.306 4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 40 176.904 -8.854 4.633 1.00 0.00 H new ATOM 679 N LEU A 41 172.552 -4.841 2.231 1.00 0.00 N ATOM 680 CA LEU A 41 171.366 -4.117 2.672 1.00 0.00 C ATOM 681 C LEU A 41 170.204 -5.082 2.894 1.00 0.00 C ATOM 682 O LEU A 41 169.541 -5.500 1.948 1.00 0.00 O ATOM 683 CB LEU A 41 170.989 -3.050 1.638 1.00 0.00 C ATOM 684 CG LEU A 41 169.556 -2.515 1.730 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.554 -0.995 1.789 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.727 -3.007 0.550 1.00 0.00 C ATOM 0 H LEU A 41 172.561 -5.072 1.237 1.00 0.00 H new ATOM 0 HA LEU A 41 171.586 -3.624 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.678 -2.211 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 41 171.139 -3.466 0.642 1.00 0.00 H new ATOM 0 HG LEU A 41 169.106 -2.893 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.527 -0.635 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 41 170.111 -0.664 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 41 170.022 -0.595 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.712 -2.618 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 41 169.176 -2.659 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.699 -4.097 0.554 1.00 0.00 H new ATOM 698 N SER A 42 169.966 -5.434 4.151 1.00 0.00 N ATOM 699 CA SER A 42 168.890 -6.357 4.491 1.00 0.00 C ATOM 700 C SER A 42 167.730 -5.633 5.162 1.00 0.00 C ATOM 701 O SER A 42 167.899 -4.547 5.715 1.00 0.00 O ATOM 702 CB SER A 42 169.415 -7.468 5.403 1.00 0.00 C ATOM 703 OG SER A 42 170.750 -7.825 5.071 1.00 0.00 O ATOM 0 H SER A 42 170.502 -5.096 4.950 1.00 0.00 H new ATOM 0 HA SER A 42 168.522 -6.798 3.565 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.372 -7.139 6.441 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.771 -8.344 5.320 1.00 0.00 H new ATOM 0 HG SER A 42 171.216 -8.133 5.876 1.00 0.00 H new ATOM 709 N LYS A 43 166.553 -6.248 5.109 1.00 0.00 N ATOM 710 CA LYS A 43 165.359 -5.671 5.712 1.00 0.00 C ATOM 711 C LYS A 43 165.042 -6.356 7.037 1.00 0.00 C ATOM 712 O LYS A 43 164.586 -7.498 7.062 1.00 0.00 O ATOM 713 CB LYS A 43 164.170 -5.803 4.752 1.00 0.00 C ATOM 714 CG LYS A 43 162.843 -5.364 5.351 1.00 0.00 C ATOM 715 CD LYS A 43 161.836 -5.006 4.270 1.00 0.00 C ATOM 716 CE LYS A 43 160.425 -5.394 4.676 1.00 0.00 C ATOM 717 NZ LYS A 43 159.449 -5.166 3.574 1.00 0.00 N ATOM 0 H LYS A 43 166.401 -7.148 4.653 1.00 0.00 H new ATOM 0 HA LYS A 43 165.544 -4.615 5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.369 -5.210 3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 43 164.087 -6.842 4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 43 162.441 -6.163 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 43 163.003 -4.503 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.878 -3.935 4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 43 162.101 -5.512 3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 43 160.406 -6.444 4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 43 160.127 -4.816 5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 158.498 -5.443 3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 159.448 -4.159 3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 159.719 -5.737 2.748 1.00 0.00 H new ATOM 731 N GLU A 44 165.289 -5.653 8.136 1.00 0.00 N ATOM 732 CA GLU A 44 165.030 -6.197 9.461 1.00 0.00 C ATOM 733 C GLU A 44 163.730 -5.637 10.034 1.00 0.00 C ATOM 734 O GLU A 44 163.403 -4.468 9.826 1.00 0.00 O ATOM 735 CB GLU A 44 166.198 -5.889 10.400 1.00 0.00 C ATOM 736 CG GLU A 44 167.039 -7.107 10.741 1.00 0.00 C ATOM 737 CD GLU A 44 167.853 -6.920 12.007 1.00 0.00 C ATOM 738 OE1 GLU A 44 167.337 -6.292 12.956 1.00 0.00 O ATOM 739 OE2 GLU A 44 169.006 -7.399 12.049 1.00 0.00 O ATOM 0 H GLU A 44 165.668 -4.706 8.135 1.00 0.00 H new ATOM 0 HA GLU A 44 164.927 -7.278 9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 44 166.836 -5.135 9.939 1.00 0.00 H new ATOM 0 HB3 GLU A 44 165.809 -5.457 11.322 1.00 0.00 H new ATOM 0 HG2 GLU A 44 166.387 -7.973 10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 44 167.711 -7.324 9.911 1.00 0.00 H new ATOM 746 N PRO A 45 162.968 -6.471 10.763 1.00 0.00 N ATOM 747 CA PRO A 45 161.699 -6.078 11.372 1.00 0.00 C ATOM 748 C PRO A 45 161.723 -4.668 11.948 1.00 0.00 C ATOM 749 O PRO A 45 160.865 -3.843 11.638 1.00 0.00 O ATOM 750 CB PRO A 45 161.508 -7.097 12.508 1.00 0.00 C ATOM 751 CG PRO A 45 162.629 -8.088 12.393 1.00 0.00 C ATOM 752 CD PRO A 45 163.276 -7.872 11.053 1.00 0.00 C ATOM 0 HA PRO A 45 160.897 -6.072 10.633 1.00 0.00 H new ATOM 0 HB2 PRO A 45 161.527 -6.602 13.479 1.00 0.00 H new ATOM 0 HB3 PRO A 45 160.542 -7.594 12.423 1.00 0.00 H new ATOM 0 HG2 PRO A 45 163.352 -7.947 13.197 1.00 0.00 H new ATOM 0 HG3 PRO A 45 162.252 -9.107 12.479 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.351 -8.050 11.090 1.00 0.00 H new ATOM 0 HD3 PRO A 45 162.868 -8.541 10.295 1.00 0.00 H new ATOM 760 N GLN A 46 162.692 -4.414 12.815 1.00 0.00 N ATOM 761 CA GLN A 46 162.810 -3.120 13.469 1.00 0.00 C ATOM 762 C GLN A 46 163.894 -2.248 12.837 1.00 0.00 C ATOM 763 O GLN A 46 164.741 -1.695 13.540 1.00 0.00 O ATOM 764 CB GLN A 46 163.103 -3.329 14.954 1.00 0.00 C ATOM 765 CG GLN A 46 162.504 -2.255 15.849 1.00 0.00 C ATOM 766 CD GLN A 46 161.422 -2.793 16.764 1.00 0.00 C ATOM 767 OE1 GLN A 46 161.596 -2.850 17.982 1.00 0.00 O ATOM 768 NE2 GLN A 46 160.299 -3.192 16.182 1.00 0.00 N ATOM 0 H GLN A 46 163.409 -5.089 13.082 1.00 0.00 H new ATOM 0 HA GLN A 46 161.864 -2.594 13.344 1.00 0.00 H new ATOM 0 HB2 GLN A 46 162.717 -4.302 15.259 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.182 -3.354 15.103 1.00 0.00 H new ATOM 0 HG2 GLN A 46 163.294 -1.808 16.452 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.088 -1.461 15.229 1.00 0.00 H new ATOM 0 HE21 GLN A 46 160.198 -3.127 15.169 1.00 0.00 H new ATOM 0 HE22 GLN A 46 159.536 -3.564 16.747 1.00 0.00 H new ATOM 777 N GLY A 47 163.855 -2.106 11.515 1.00 0.00 N ATOM 778 CA GLY A 47 164.835 -1.271 10.842 1.00 0.00 C ATOM 779 C GLY A 47 165.634 -1.997 9.775 1.00 0.00 C ATOM 780 O GLY A 47 165.741 -3.224 9.785 1.00 0.00 O ATOM 0 H GLY A 47 163.170 -2.549 10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 47 164.323 -0.424 10.385 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.523 -0.866 11.584 1.00 0.00 H new ATOM 784 N PHE A 48 166.212 -1.219 8.863 1.00 0.00 N ATOM 785 CA PHE A 48 167.032 -1.755 7.785 1.00 0.00 C ATOM 786 C PHE A 48 168.457 -1.957 8.280 1.00 0.00 C ATOM 787 O PHE A 48 168.986 -1.113 9.005 1.00 0.00 O ATOM 788 CB PHE A 48 167.045 -0.788 6.594 1.00 0.00 C ATOM 789 CG PHE A 48 166.218 -1.224 5.416 1.00 0.00 C ATOM 790 CD1 PHE A 48 165.149 -2.094 5.572 1.00 0.00 C ATOM 791 CD2 PHE A 48 166.512 -0.754 4.146 1.00 0.00 C ATOM 792 CE1 PHE A 48 164.393 -2.483 4.484 1.00 0.00 C ATOM 793 CE2 PHE A 48 165.759 -1.139 3.056 1.00 0.00 C ATOM 794 CZ PHE A 48 164.698 -2.007 3.224 1.00 0.00 C ATOM 0 H PHE A 48 166.124 -0.203 8.852 1.00 0.00 H new ATOM 0 HA PHE A 48 166.611 -2.709 7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.687 0.185 6.931 1.00 0.00 H new ATOM 0 HB3 PHE A 48 168.076 -0.652 6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 48 164.906 -2.471 6.554 1.00 0.00 H new ATOM 0 HD2 PHE A 48 167.342 -0.077 4.008 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.562 -3.160 4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 48 165.999 -0.762 2.073 1.00 0.00 H new ATOM 0 HZ PHE A 48 164.108 -2.313 2.372 1.00 0.00 H new ATOM 804 N VAL A 49 169.069 -3.069 7.888 1.00 0.00 N ATOM 805 CA VAL A 49 170.435 -3.372 8.295 1.00 0.00 C ATOM 806 C VAL A 49 171.410 -3.149 7.145 1.00 0.00 C ATOM 807 O VAL A 49 171.779 -4.089 6.440 1.00 0.00 O ATOM 808 CB VAL A 49 170.567 -4.823 8.794 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.918 -5.039 9.458 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.435 -5.163 9.748 1.00 0.00 C ATOM 0 H VAL A 49 168.641 -3.775 7.289 1.00 0.00 H new ATOM 0 HA VAL A 49 170.679 -2.694 9.113 1.00 0.00 H new ATOM 0 HB VAL A 49 170.500 -5.491 7.935 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.993 -6.070 9.804 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.713 -4.839 8.739 1.00 0.00 H new ATOM 0 HG13 VAL A 49 172.018 -4.363 10.307 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.544 -6.192 10.090 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.467 -4.490 10.605 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.480 -5.051 9.234 1.00 0.00 H new ATOM 820 N ALA A 50 171.822 -1.901 6.963 1.00 0.00 N ATOM 821 CA ALA A 50 172.753 -1.551 5.899 1.00 0.00 C ATOM 822 C ALA A 50 174.182 -1.926 6.274 1.00 0.00 C ATOM 823 O ALA A 50 174.891 -1.149 6.915 1.00 0.00 O ATOM 824 CB ALA A 50 172.661 -0.065 5.586 1.00 0.00 C ATOM 0 H ALA A 50 171.525 -1.114 7.539 1.00 0.00 H new ATOM 0 HA ALA A 50 172.478 -2.117 5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.362 0.183 4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.648 0.177 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.907 0.511 6.478 1.00 0.00 H new ATOM 830 N ASP A 51 174.601 -3.121 5.873 1.00 0.00 N ATOM 831 CA ASP A 51 175.947 -3.599 6.168 1.00 0.00 C ATOM 832 C ASP A 51 176.847 -3.481 4.941 1.00 0.00 C ATOM 833 O ASP A 51 176.905 -4.387 4.112 1.00 0.00 O ATOM 834 CB ASP A 51 175.901 -5.052 6.647 1.00 0.00 C ATOM 835 CG ASP A 51 176.213 -5.184 8.124 1.00 0.00 C ATOM 836 OD1 ASP A 51 176.089 -4.175 8.850 1.00 0.00 O ATOM 837 OD2 ASP A 51 176.581 -6.296 8.557 1.00 0.00 O ATOM 0 H ASP A 51 174.028 -3.777 5.342 1.00 0.00 H new ATOM 0 HA ASP A 51 176.362 -2.977 6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 51 174.912 -5.466 6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.615 -5.643 6.073 1.00 0.00 H new ATOM 842 N ALA A 52 177.546 -2.356 4.835 1.00 0.00 N ATOM 843 CA ALA A 52 178.442 -2.118 3.712 1.00 0.00 C ATOM 844 C ALA A 52 179.894 -2.361 4.109 1.00 0.00 C ATOM 845 O ALA A 52 180.341 -1.920 5.168 1.00 0.00 O ATOM 846 CB ALA A 52 178.269 -0.701 3.188 1.00 0.00 C ATOM 0 H ALA A 52 177.509 -1.595 5.514 1.00 0.00 H new ATOM 0 HA ALA A 52 178.184 -2.821 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.945 -0.538 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.240 -0.558 2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.497 0.011 3.981 1.00 0.00 H new ATOM 852 N THR A 53 180.625 -3.061 3.250 1.00 0.00 N ATOM 853 CA THR A 53 182.029 -3.362 3.508 1.00 0.00 C ATOM 854 C THR A 53 182.891 -2.979 2.309 1.00 0.00 C ATOM 855 O THR A 53 182.947 -3.704 1.314 1.00 0.00 O ATOM 856 CB THR A 53 182.207 -4.849 3.833 1.00 0.00 C ATOM 857 OG1 THR A 53 180.979 -5.545 3.701 1.00 0.00 O ATOM 858 CG2 THR A 53 182.724 -5.096 5.234 1.00 0.00 C ATOM 0 H THR A 53 180.269 -3.431 2.369 1.00 0.00 H new ATOM 0 HA THR A 53 182.351 -2.775 4.368 1.00 0.00 H new ATOM 0 HB THR A 53 182.945 -5.213 3.118 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.116 -6.492 3.911 1.00 0.00 H new ATOM 0 HG21 THR A 53 182.828 -6.168 5.400 1.00 0.00 H new ATOM 0 HG22 THR A 53 183.695 -4.615 5.354 1.00 0.00 H new ATOM 0 HG23 THR A 53 182.023 -4.683 5.959 1.00 0.00 H new ATOM 866 N ILE A 54 183.561 -1.837 2.408 1.00 0.00 N ATOM 867 CA ILE A 54 184.422 -1.358 1.331 1.00 0.00 C ATOM 868 C ILE A 54 185.893 -1.521 1.701 1.00 0.00 C ATOM 869 O ILE A 54 186.296 -1.223 2.825 1.00 0.00 O ATOM 870 CB ILE A 54 184.147 0.125 0.985 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.785 0.572 1.524 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.214 0.333 -0.520 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.456 2.017 1.214 1.00 0.00 C ATOM 0 H ILE A 54 183.525 -1.225 3.223 1.00 0.00 H new ATOM 0 HA ILE A 54 184.194 -1.964 0.454 1.00 0.00 H new ATOM 0 HB ILE A 54 184.915 0.734 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.009 -0.067 1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.766 0.427 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.019 1.380 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.206 0.060 -0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.466 -0.292 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.477 2.264 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 54 183.211 2.666 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.443 2.163 0.134 1.00 0.00 H new ATOM 885 N ASN A 55 186.691 -2.007 0.753 1.00 0.00 N ATOM 886 CA ASN A 55 188.115 -2.220 0.992 1.00 0.00 C ATOM 887 C ASN A 55 188.959 -1.073 0.440 1.00 0.00 C ATOM 888 O ASN A 55 189.370 -1.094 -0.721 1.00 0.00 O ATOM 889 CB ASN A 55 188.562 -3.545 0.366 1.00 0.00 C ATOM 890 CG ASN A 55 189.132 -4.506 1.393 1.00 0.00 C ATOM 891 OD1 ASN A 55 188.862 -5.706 1.352 1.00 0.00 O ATOM 892 ND2 ASN A 55 189.926 -3.981 2.320 1.00 0.00 N ATOM 0 H ASN A 55 186.377 -2.260 -0.184 1.00 0.00 H new ATOM 0 HA ASN A 55 188.267 -2.257 2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.713 -4.012 -0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 55 189.313 -3.347 -0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 55 190.339 -4.579 3.036 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.123 -2.980 2.316 1.00 0.00 H new ATOM 899 N THR A 56 189.219 -0.079 1.285 1.00 0.00 N ATOM 900 CA THR A 56 190.023 1.075 0.895 1.00 0.00 C ATOM 901 C THR A 56 191.490 0.845 1.260 1.00 0.00 C ATOM 902 O THR A 56 191.793 0.024 2.126 1.00 0.00 O ATOM 903 CB THR A 56 189.505 2.339 1.586 1.00 0.00 C ATOM 904 OG1 THR A 56 189.978 2.410 2.921 1.00 0.00 O ATOM 905 CG2 THR A 56 187.994 2.424 1.633 1.00 0.00 C ATOM 0 H THR A 56 188.883 -0.050 2.248 1.00 0.00 H new ATOM 0 HA THR A 56 189.944 1.205 -0.184 1.00 0.00 H new ATOM 0 HB THR A 56 189.881 3.168 0.986 1.00 0.00 H new ATOM 0 HG1 THR A 56 189.711 1.602 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 56 187.697 3.344 2.136 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.598 2.421 0.618 1.00 0.00 H new ATOM 0 HG23 THR A 56 187.598 1.568 2.179 1.00 0.00 H new ATOM 913 N PRO A 57 192.428 1.564 0.615 1.00 0.00 N ATOM 914 CA PRO A 57 193.858 1.415 0.904 1.00 0.00 C ATOM 915 C PRO A 57 194.198 1.823 2.334 1.00 0.00 C ATOM 916 O PRO A 57 195.219 1.409 2.881 1.00 0.00 O ATOM 917 CB PRO A 57 194.535 2.354 -0.099 1.00 0.00 C ATOM 918 CG PRO A 57 193.478 3.326 -0.493 1.00 0.00 C ATOM 919 CD PRO A 57 192.180 2.574 -0.430 1.00 0.00 C ATOM 0 HA PRO A 57 194.185 0.379 0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.389 2.861 0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.908 1.805 -0.964 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.465 4.183 0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.657 3.712 -1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.348 3.228 -0.169 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.935 2.112 -1.387 1.00 0.00 H new ATOM 927 N ASN A 58 193.331 2.635 2.934 1.00 0.00 N ATOM 928 CA ASN A 58 193.537 3.094 4.302 1.00 0.00 C ATOM 929 C ASN A 58 192.773 2.218 5.294 1.00 0.00 C ATOM 930 O ASN A 58 192.576 2.601 6.447 1.00 0.00 O ATOM 931 CB ASN A 58 193.090 4.552 4.448 1.00 0.00 C ATOM 932 CG ASN A 58 193.505 5.409 3.267 1.00 0.00 C ATOM 933 OD1 ASN A 58 192.693 5.718 2.394 1.00 0.00 O ATOM 934 ND2 ASN A 58 194.774 5.799 3.236 1.00 0.00 N ATOM 0 H ASN A 58 192.481 2.987 2.494 1.00 0.00 H new ATOM 0 HA ASN A 58 194.602 3.021 4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 58 192.006 4.587 4.555 1.00 0.00 H new ATOM 0 HB3 ASN A 58 193.514 4.969 5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 58 195.111 6.378 2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 58 195.412 5.519 3.981 1.00 0.00 H new ATOM 941 N GLY A 59 192.345 1.042 4.841 1.00 0.00 N ATOM 942 CA GLY A 59 191.609 0.137 5.705 1.00 0.00 C ATOM 943 C GLY A 59 190.283 -0.287 5.102 1.00 0.00 C ATOM 944 O GLY A 59 190.027 -0.053 3.922 1.00 0.00 O ATOM 0 H GLY A 59 192.495 0.701 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.215 -0.747 5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.430 0.621 6.665 1.00 0.00 H new ATOM 948 N VAL A 60 189.439 -0.915 5.916 1.00 0.00 N ATOM 949 CA VAL A 60 188.133 -1.373 5.457 1.00 0.00 C ATOM 950 C VAL A 60 187.018 -0.486 6.009 1.00 0.00 C ATOM 951 O VAL A 60 186.899 -0.306 7.221 1.00 0.00 O ATOM 952 CB VAL A 60 187.891 -2.853 5.858 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.526 -3.049 6.508 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.039 -3.761 4.646 1.00 0.00 C ATOM 0 H VAL A 60 189.637 -1.118 6.896 1.00 0.00 H new ATOM 0 HA VAL A 60 188.121 -1.305 4.369 1.00 0.00 H new ATOM 0 HB VAL A 60 188.646 -3.121 6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.397 -4.098 6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 60 186.460 -2.436 7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 60 185.744 -2.753 5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 60 187.866 -4.795 4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 60 187.311 -3.475 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.045 -3.663 4.239 1.00 0.00 H new ATOM 964 N LEU A 61 186.202 0.059 5.112 1.00 0.00 N ATOM 965 CA LEU A 61 185.096 0.922 5.511 1.00 0.00 C ATOM 966 C LEU A 61 183.832 0.106 5.755 1.00 0.00 C ATOM 967 O LEU A 61 183.108 -0.232 4.819 1.00 0.00 O ATOM 968 CB LEU A 61 184.828 1.986 4.435 1.00 0.00 C ATOM 969 CG LEU A 61 185.642 3.289 4.539 1.00 0.00 C ATOM 970 CD1 LEU A 61 184.730 4.495 4.366 1.00 0.00 C ATOM 971 CD2 LEU A 61 186.395 3.384 5.859 1.00 0.00 C ATOM 0 H LEU A 61 186.286 -0.082 4.105 1.00 0.00 H new ATOM 0 HA LEU A 61 185.376 1.418 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.021 1.540 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 61 183.769 2.242 4.465 1.00 0.00 H new ATOM 0 HG LEU A 61 186.382 3.279 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 61 185.318 5.410 4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 61 184.251 4.452 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 61 183.967 4.489 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 61 186.956 4.318 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 61 185.685 3.358 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 61 187.084 2.544 5.946 1.00 0.00 H new ATOM 983 N VAL A 62 183.573 -0.209 7.020 1.00 0.00 N ATOM 984 CA VAL A 62 182.396 -0.985 7.389 1.00 0.00 C ATOM 985 C VAL A 62 181.227 -0.067 7.731 1.00 0.00 C ATOM 986 O VAL A 62 181.158 0.487 8.828 1.00 0.00 O ATOM 987 CB VAL A 62 182.681 -1.921 8.582 1.00 0.00 C ATOM 988 CG1 VAL A 62 183.071 -1.127 9.820 1.00 0.00 C ATOM 989 CG2 VAL A 62 181.476 -2.805 8.865 1.00 0.00 C ATOM 0 H VAL A 62 184.163 0.062 7.807 1.00 0.00 H new ATOM 0 HA VAL A 62 182.134 -1.597 6.526 1.00 0.00 H new ATOM 0 HB VAL A 62 183.523 -2.561 8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 62 183.266 -1.812 10.645 1.00 0.00 H new ATOM 0 HG12 VAL A 62 183.969 -0.545 9.611 1.00 0.00 H new ATOM 0 HG13 VAL A 62 182.258 -0.454 10.092 1.00 0.00 H new ATOM 0 HG21 VAL A 62 181.695 -3.459 9.709 1.00 0.00 H new ATOM 0 HG22 VAL A 62 180.615 -2.181 9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 62 181.254 -3.410 7.986 1.00 0.00 H new ATOM 999 N ALA A 63 180.315 0.100 6.782 1.00 0.00 N ATOM 1000 CA ALA A 63 179.158 0.962 6.979 1.00 0.00 C ATOM 1001 C ALA A 63 177.960 0.182 7.513 1.00 0.00 C ATOM 1002 O ALA A 63 177.368 -0.626 6.801 1.00 0.00 O ATOM 1003 CB ALA A 63 178.797 1.652 5.675 1.00 0.00 C ATOM 0 H ALA A 63 180.355 -0.351 5.868 1.00 0.00 H new ATOM 0 HA ALA A 63 179.422 1.713 7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 63 177.931 2.295 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.640 2.255 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.561 0.902 4.920 1.00 0.00 H new ATOM 1009 N SER A 64 177.612 0.433 8.770 1.00 0.00 N ATOM 1010 CA SER A 64 176.483 -0.245 9.397 1.00 0.00 C ATOM 1011 C SER A 64 175.318 0.714 9.612 1.00 0.00 C ATOM 1012 O SER A 64 175.351 1.556 10.510 1.00 0.00 O ATOM 1013 CB SER A 64 176.904 -0.855 10.733 1.00 0.00 C ATOM 1014 OG SER A 64 178.277 -1.210 10.723 1.00 0.00 O ATOM 0 H SER A 64 178.094 1.099 9.374 1.00 0.00 H new ATOM 0 HA SER A 64 176.157 -1.040 8.727 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.715 -0.143 11.537 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.299 -1.737 10.940 1.00 0.00 H new ATOM 0 HG SER A 64 178.521 -1.596 11.590 1.00 0.00 H new ATOM 1020 N GLY A 65 174.286 0.579 8.786 1.00 0.00 N ATOM 1021 CA GLY A 65 173.122 1.437 8.904 1.00 0.00 C ATOM 1022 C GLY A 65 171.987 0.768 9.653 1.00 0.00 C ATOM 1023 O GLY A 65 171.886 -0.458 9.674 1.00 0.00 O ATOM 0 H GLY A 65 174.235 -0.110 8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.402 2.356 9.419 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.780 1.720 7.909 1.00 0.00 H new ATOM 1027 N LYS A 66 171.129 1.575 10.269 1.00 0.00 N ATOM 1028 CA LYS A 66 169.996 1.051 11.025 1.00 0.00 C ATOM 1029 C LYS A 66 168.826 2.031 11.001 1.00 0.00 C ATOM 1030 O LYS A 66 168.857 3.059 11.677 1.00 0.00 O ATOM 1031 CB LYS A 66 170.408 0.768 12.471 1.00 0.00 C ATOM 1032 CG LYS A 66 171.268 -0.476 12.624 1.00 0.00 C ATOM 1033 CD LYS A 66 171.033 -1.153 13.965 1.00 0.00 C ATOM 1034 CE LYS A 66 171.456 -0.259 15.122 1.00 0.00 C ATOM 1035 NZ LYS A 66 172.810 -0.612 15.627 1.00 0.00 N ATOM 0 H LYS A 66 171.196 2.593 10.260 1.00 0.00 H new ATOM 0 HA LYS A 66 169.678 0.120 10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 66 170.954 1.628 12.860 1.00 0.00 H new ATOM 0 HB3 LYS A 66 169.511 0.658 13.081 1.00 0.00 H new ATOM 0 HG2 LYS A 66 171.045 -1.175 11.818 1.00 0.00 H new ATOM 0 HG3 LYS A 66 172.320 -0.206 12.530 1.00 0.00 H new ATOM 0 HD2 LYS A 66 169.978 -1.406 14.066 1.00 0.00 H new ATOM 0 HD3 LYS A 66 171.590 -2.089 14.004 1.00 0.00 H new ATOM 0 HE2 LYS A 66 171.449 0.782 14.798 1.00 0.00 H new ATOM 0 HE3 LYS A 66 170.732 -0.346 15.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 173.062 0.019 16.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 172.811 -1.598 15.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 173.505 -0.505 14.861 1.00 0.00 H new ATOM 1049 N HIS A 67 167.796 1.712 10.223 1.00 0.00 N ATOM 1050 CA HIS A 67 166.622 2.583 10.130 1.00 0.00 C ATOM 1051 C HIS A 67 165.531 1.972 9.255 1.00 0.00 C ATOM 1052 O HIS A 67 165.782 1.586 8.117 1.00 0.00 O ATOM 1053 CB HIS A 67 167.023 3.951 9.574 1.00 0.00 C ATOM 1054 CG HIS A 67 166.261 5.088 10.177 1.00 0.00 C ATOM 1055 ND1 HIS A 67 166.723 5.818 11.253 1.00 0.00 N ATOM 1056 CD2 HIS A 67 165.060 5.623 9.850 1.00 0.00 C ATOM 1057 CE1 HIS A 67 165.839 6.750 11.562 1.00 0.00 C ATOM 1058 NE2 HIS A 67 164.821 6.654 10.726 1.00 0.00 N ATOM 0 H HIS A 67 167.747 0.868 9.653 1.00 0.00 H new ATOM 0 HA HIS A 67 166.220 2.699 11.136 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.088 4.106 9.746 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.871 3.954 8.495 1.00 0.00 H new ATOM 0 HD2 HIS A 67 164.411 5.299 9.050 1.00 0.00 H new ATOM 0 HE1 HIS A 67 165.933 7.469 12.363 1.00 0.00 H new ATOM 0 HE2 HIS A 67 163.992 7.249 10.730 1.00 0.00 H new ATOM 1067 N GLU A 68 164.317 1.891 9.798 1.00 0.00 N ATOM 1068 CA GLU A 68 163.176 1.326 9.073 1.00 0.00 C ATOM 1069 C GLU A 68 163.120 1.826 7.632 1.00 0.00 C ATOM 1070 O GLU A 68 162.745 1.084 6.723 1.00 0.00 O ATOM 1071 CB GLU A 68 161.868 1.665 9.792 1.00 0.00 C ATOM 1072 CG GLU A 68 161.838 3.069 10.376 1.00 0.00 C ATOM 1073 CD GLU A 68 162.071 3.079 11.875 1.00 0.00 C ATOM 1074 OE1 GLU A 68 162.780 2.178 12.372 1.00 0.00 O ATOM 1075 OE2 GLU A 68 161.545 3.987 12.551 1.00 0.00 O ATOM 0 H GLU A 68 164.096 2.210 10.741 1.00 0.00 H new ATOM 0 HA GLU A 68 163.306 0.244 9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 68 161.040 1.554 9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.707 0.944 10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 68 162.600 3.678 9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.874 3.529 10.158 1.00 0.00 H new ATOM 1082 N ASP A 69 163.494 3.083 7.427 1.00 0.00 N ATOM 1083 CA ASP A 69 163.483 3.669 6.094 1.00 0.00 C ATOM 1084 C ASP A 69 164.695 3.211 5.291 1.00 0.00 C ATOM 1085 O ASP A 69 165.812 3.157 5.806 1.00 0.00 O ATOM 1086 CB ASP A 69 163.455 5.195 6.182 1.00 0.00 C ATOM 1087 CG ASP A 69 162.073 5.764 5.932 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.724 5.984 4.753 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.336 5.987 6.915 1.00 0.00 O ATOM 0 H ASP A 69 163.808 3.714 8.165 1.00 0.00 H new ATOM 0 HA ASP A 69 162.583 3.330 5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.800 5.505 7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 69 164.153 5.611 5.455 1.00 0.00 H new ATOM 1094 N MET A 70 164.465 2.880 4.025 1.00 0.00 N ATOM 1095 CA MET A 70 165.531 2.422 3.146 1.00 0.00 C ATOM 1096 C MET A 70 166.549 3.539 2.900 1.00 0.00 C ATOM 1097 O MET A 70 167.756 3.347 3.073 1.00 0.00 O ATOM 1098 CB MET A 70 164.926 1.902 1.826 1.00 0.00 C ATOM 1099 CG MET A 70 165.362 2.645 0.566 1.00 0.00 C ATOM 1100 SD MET A 70 164.326 2.279 -0.869 1.00 0.00 S ATOM 1101 CE MET A 70 163.745 0.626 -0.490 1.00 0.00 C ATOM 0 H MET A 70 163.546 2.921 3.585 1.00 0.00 H new ATOM 0 HA MET A 70 166.065 1.601 3.625 1.00 0.00 H new ATOM 0 HB2 MET A 70 165.189 0.850 1.716 1.00 0.00 H new ATOM 0 HB3 MET A 70 163.840 1.953 1.899 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.340 3.718 0.758 1.00 0.00 H new ATOM 0 HG3 MET A 70 166.395 2.384 0.337 1.00 0.00 H new ATOM 0 HE1 MET A 70 163.573 0.079 -1.417 1.00 0.00 H new ATOM 0 HE2 MET A 70 164.495 0.104 0.105 1.00 0.00 H new ATOM 0 HE3 MET A 70 162.814 0.688 0.073 1.00 0.00 H new ATOM 1111 N TYR A 71 166.051 4.700 2.500 1.00 0.00 N ATOM 1112 CA TYR A 71 166.907 5.848 2.226 1.00 0.00 C ATOM 1113 C TYR A 71 167.583 6.343 3.498 1.00 0.00 C ATOM 1114 O TYR A 71 168.789 6.586 3.513 1.00 0.00 O ATOM 1115 CB TYR A 71 166.101 6.976 1.574 1.00 0.00 C ATOM 1116 CG TYR A 71 165.894 6.796 0.084 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.268 5.621 -0.562 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.322 7.806 -0.680 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.080 5.459 -1.917 1.00 0.00 C ATOM 1120 CE2 TYR A 71 165.128 7.651 -2.039 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.508 6.475 -2.654 1.00 0.00 C ATOM 1122 OH TYR A 71 165.318 6.317 -4.007 1.00 0.00 O ATOM 0 H TYR A 71 165.056 4.873 2.357 1.00 0.00 H new ATOM 0 HA TYR A 71 167.685 5.530 1.532 1.00 0.00 H new ATOM 0 HB2 TYR A 71 165.128 7.044 2.061 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.612 7.923 1.749 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.714 4.821 0.010 1.00 0.00 H new ATOM 0 HD2 TYR A 71 165.024 8.728 -0.203 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.379 4.541 -2.400 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.681 8.446 -2.617 1.00 0.00 H new ATOM 0 HH TYR A 71 164.903 7.125 -4.376 1.00 0.00 H new ATOM 1132 N THR A 72 166.809 6.477 4.571 1.00 0.00 N ATOM 1133 CA THR A 72 167.359 6.928 5.846 1.00 0.00 C ATOM 1134 C THR A 72 168.507 6.022 6.267 1.00 0.00 C ATOM 1135 O THR A 72 169.476 6.470 6.882 1.00 0.00 O ATOM 1136 CB THR A 72 166.279 6.940 6.928 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.045 7.393 6.399 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.624 7.823 8.108 1.00 0.00 C ATOM 0 H THR A 72 165.808 6.282 4.584 1.00 0.00 H new ATOM 0 HA THR A 72 167.732 7.944 5.720 1.00 0.00 H new ATOM 0 HB THR A 72 166.206 5.909 7.275 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.467 7.696 7.130 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.816 7.786 8.839 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.546 7.470 8.569 1.00 0.00 H new ATOM 0 HG23 THR A 72 166.758 8.850 7.767 1.00 0.00 H new ATOM 1146 N ALA A 73 168.398 4.744 5.912 1.00 0.00 N ATOM 1147 CA ALA A 73 169.433 3.773 6.233 1.00 0.00 C ATOM 1148 C ALA A 73 170.702 4.086 5.455 1.00 0.00 C ATOM 1149 O ALA A 73 171.810 3.976 5.981 1.00 0.00 O ATOM 1150 CB ALA A 73 168.952 2.363 5.925 1.00 0.00 C ATOM 0 H ALA A 73 167.602 4.360 5.402 1.00 0.00 H new ATOM 0 HA ALA A 73 169.653 3.834 7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.738 1.649 6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 73 168.064 2.144 6.518 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.709 2.285 4.865 1.00 0.00 H new ATOM 1156 N ILE A 74 170.530 4.491 4.198 1.00 0.00 N ATOM 1157 CA ILE A 74 171.670 4.838 3.352 1.00 0.00 C ATOM 1158 C ILE A 74 172.462 5.983 3.973 1.00 0.00 C ATOM 1159 O ILE A 74 173.662 5.865 4.218 1.00 0.00 O ATOM 1160 CB ILE A 74 171.256 5.260 1.922 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.976 4.550 1.464 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.391 4.982 0.948 1.00 0.00 C ATOM 1163 CD1 ILE A 74 170.145 3.066 1.224 1.00 0.00 C ATOM 0 H ILE A 74 169.621 4.586 3.746 1.00 0.00 H new ATOM 0 HA ILE A 74 172.276 3.935 3.281 1.00 0.00 H new ATOM 0 HB ILE A 74 171.047 6.330 1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.201 4.700 2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.623 5.018 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 74 172.091 5.282 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.274 5.547 1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 74 172.623 3.917 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 74 169.195 2.639 0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.895 2.906 0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 74 170.467 2.583 2.146 1.00 0.00 H new ATOM 1175 N ASN A 75 171.776 7.094 4.227 1.00 0.00 N ATOM 1176 CA ASN A 75 172.404 8.271 4.819 1.00 0.00 C ATOM 1177 C ASN A 75 173.167 7.903 6.089 1.00 0.00 C ATOM 1178 O ASN A 75 174.349 8.221 6.227 1.00 0.00 O ATOM 1179 CB ASN A 75 171.351 9.334 5.130 1.00 0.00 C ATOM 1180 CG ASN A 75 170.578 9.759 3.896 1.00 0.00 C ATOM 1181 OD1 ASN A 75 171.037 10.594 3.120 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.395 9.182 3.712 1.00 0.00 N ATOM 0 H ASN A 75 170.781 7.204 4.031 1.00 0.00 H new ATOM 0 HA ASN A 75 173.114 8.674 4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.656 8.947 5.875 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.837 10.205 5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.829 9.428 2.900 1.00 0.00 H new ATOM 0 HD22 ASN A 75 169.054 8.493 4.383 1.00 0.00 H new ATOM 1189 N GLU A 76 172.489 7.227 7.011 1.00 0.00 N ATOM 1190 CA GLU A 76 173.112 6.813 8.265 1.00 0.00 C ATOM 1191 C GLU A 76 174.369 5.990 7.992 1.00 0.00 C ATOM 1192 O GLU A 76 175.375 6.117 8.690 1.00 0.00 O ATOM 1193 CB GLU A 76 172.127 6.003 9.108 1.00 0.00 C ATOM 1194 CG GLU A 76 171.067 6.854 9.789 1.00 0.00 C ATOM 1195 CD GLU A 76 171.510 7.360 11.147 1.00 0.00 C ATOM 1196 OE1 GLU A 76 171.869 6.525 12.004 1.00 0.00 O ATOM 1197 OE2 GLU A 76 171.499 8.592 11.354 1.00 0.00 O ATOM 0 H GLU A 76 171.511 6.954 6.915 1.00 0.00 H new ATOM 0 HA GLU A 76 173.395 7.708 8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.636 5.267 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.680 5.450 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 76 170.823 7.703 9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 76 170.155 6.269 9.903 1.00 0.00 H new ATOM 1204 N LEU A 77 174.296 5.148 6.966 1.00 0.00 N ATOM 1205 CA LEU A 77 175.414 4.297 6.581 1.00 0.00 C ATOM 1206 C LEU A 77 176.614 5.136 6.135 1.00 0.00 C ATOM 1207 O LEU A 77 177.713 5.004 6.678 1.00 0.00 O ATOM 1208 CB LEU A 77 174.964 3.343 5.461 1.00 0.00 C ATOM 1209 CG LEU A 77 176.019 2.985 4.405 1.00 0.00 C ATOM 1210 CD1 LEU A 77 175.851 1.540 3.957 1.00 0.00 C ATOM 1211 CD2 LEU A 77 175.923 3.926 3.213 1.00 0.00 C ATOM 0 H LEU A 77 173.467 5.037 6.383 1.00 0.00 H new ATOM 0 HA LEU A 77 175.730 3.711 7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 77 174.613 2.419 5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.110 3.791 4.953 1.00 0.00 H new ATOM 0 HG LEU A 77 177.007 3.097 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.606 1.301 3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 77 175.968 0.877 4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 77 174.858 1.405 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 77 176.679 3.657 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 77 174.933 3.845 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 77 176.089 4.951 3.544 1.00 0.00 H new ATOM 1223 N ILE A 78 176.397 5.989 5.141 1.00 0.00 N ATOM 1224 CA ILE A 78 177.458 6.843 4.616 1.00 0.00 C ATOM 1225 C ILE A 78 177.978 7.814 5.673 1.00 0.00 C ATOM 1226 O ILE A 78 179.177 8.081 5.747 1.00 0.00 O ATOM 1227 CB ILE A 78 176.973 7.638 3.383 1.00 0.00 C ATOM 1228 CG1 ILE A 78 178.111 8.497 2.808 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.765 8.493 3.741 1.00 0.00 C ATOM 1230 CD1 ILE A 78 178.313 9.824 3.513 1.00 0.00 C ATOM 0 H ILE A 78 175.495 6.109 4.681 1.00 0.00 H new ATOM 0 HA ILE A 78 178.274 6.184 4.320 1.00 0.00 H new ATOM 0 HB ILE A 78 176.668 6.930 2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 78 179.040 7.928 2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 78 177.909 8.687 1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.437 9.046 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 78 174.955 7.851 4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 78 176.037 9.195 4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 78 179.135 10.364 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 78 177.401 10.417 3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 78 178.549 9.646 4.562 1.00 0.00 H new ATOM 1242 N ASN A 79 177.070 8.345 6.486 1.00 0.00 N ATOM 1243 CA ASN A 79 177.442 9.295 7.532 1.00 0.00 C ATOM 1244 C ASN A 79 178.523 8.724 8.447 1.00 0.00 C ATOM 1245 O ASN A 79 179.609 9.293 8.573 1.00 0.00 O ATOM 1246 CB ASN A 79 176.215 9.681 8.357 1.00 0.00 C ATOM 1247 CG ASN A 79 175.377 10.749 7.683 1.00 0.00 C ATOM 1248 OD1 ASN A 79 175.878 11.528 6.872 1.00 0.00 O ATOM 1249 ND2 ASN A 79 174.091 10.792 8.017 1.00 0.00 N ATOM 0 H ASN A 79 176.073 8.135 6.442 1.00 0.00 H new ATOM 0 HA ASN A 79 177.844 10.183 7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 79 175.602 8.796 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 79 176.536 10.039 9.335 1.00 0.00 H new ATOM 0 HD21 ASN A 79 173.478 11.490 7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 79 173.717 10.127 8.694 1.00 0.00 H new ATOM 1256 N LYS A 80 178.216 7.603 9.091 1.00 0.00 N ATOM 1257 CA LYS A 80 179.159 6.962 10.003 1.00 0.00 C ATOM 1258 C LYS A 80 180.493 6.683 9.309 1.00 0.00 C ATOM 1259 O LYS A 80 181.562 6.923 9.875 1.00 0.00 O ATOM 1260 CB LYS A 80 178.541 5.674 10.580 1.00 0.00 C ATOM 1261 CG LYS A 80 179.162 4.378 10.073 1.00 0.00 C ATOM 1262 CD LYS A 80 180.474 4.076 10.778 1.00 0.00 C ATOM 1263 CE LYS A 80 180.709 2.581 10.902 1.00 0.00 C ATOM 1264 NZ LYS A 80 181.335 2.220 12.204 1.00 0.00 N ATOM 0 H LYS A 80 177.323 7.119 8.999 1.00 0.00 H new ATOM 0 HA LYS A 80 179.364 7.642 10.830 1.00 0.00 H new ATOM 0 HB2 LYS A 80 178.630 5.701 11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 80 177.476 5.664 10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 80 178.466 3.554 10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 80 179.333 4.451 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 80 181.297 4.530 10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 80 180.467 4.528 11.770 1.00 0.00 H new ATOM 0 HE2 LYS A 80 179.760 2.055 10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 80 181.350 2.246 10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 181.753 1.270 12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 182.078 2.910 12.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 180.611 2.228 12.951 1.00 0.00 H new ATOM 1278 N LEU A 81 180.429 6.181 8.080 1.00 0.00 N ATOM 1279 CA LEU A 81 181.637 5.881 7.320 1.00 0.00 C ATOM 1280 C LEU A 81 182.363 7.165 6.929 1.00 0.00 C ATOM 1281 O LEU A 81 183.587 7.183 6.800 1.00 0.00 O ATOM 1282 CB LEU A 81 181.294 5.073 6.063 1.00 0.00 C ATOM 1283 CG LEU A 81 181.412 3.553 6.203 1.00 0.00 C ATOM 1284 CD1 LEU A 81 181.380 2.892 4.835 1.00 0.00 C ATOM 1285 CD2 LEU A 81 182.688 3.176 6.946 1.00 0.00 C ATOM 0 H LEU A 81 179.558 5.974 7.591 1.00 0.00 H new ATOM 0 HA LEU A 81 182.295 5.287 7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.274 5.315 5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 81 181.948 5.398 5.254 1.00 0.00 H new ATOM 0 HG LEU A 81 180.561 3.196 6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 81 181.465 1.812 4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 81 180.440 3.131 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 81 182.212 3.259 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 81 182.751 2.091 7.034 1.00 0.00 H new ATOM 0 HD22 LEU A 81 183.553 3.546 6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 81 182.674 3.620 7.941 1.00 0.00 H new ATOM 1297 N GLU A 82 181.598 8.238 6.741 1.00 0.00 N ATOM 1298 CA GLU A 82 182.169 9.527 6.364 1.00 0.00 C ATOM 1299 C GLU A 82 183.189 9.998 7.398 1.00 0.00 C ATOM 1300 O GLU A 82 184.367 10.169 7.086 1.00 0.00 O ATOM 1301 CB GLU A 82 181.066 10.574 6.205 1.00 0.00 C ATOM 1302 CG GLU A 82 181.410 11.674 5.215 1.00 0.00 C ATOM 1303 CD GLU A 82 180.419 12.821 5.250 1.00 0.00 C ATOM 1304 OE1 GLU A 82 179.225 12.583 4.971 1.00 0.00 O ATOM 1305 OE2 GLU A 82 180.837 13.957 5.555 1.00 0.00 O ATOM 0 H GLU A 82 180.583 8.240 6.844 1.00 0.00 H new ATOM 0 HA GLU A 82 182.679 9.401 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.150 10.079 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 82 180.860 11.023 7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 82 182.408 12.054 5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 82 181.441 11.256 4.209 1.00 0.00 H new ATOM 1312 N ARG A 83 182.730 10.207 8.630 1.00 0.00 N ATOM 1313 CA ARG A 83 183.613 10.658 9.700 1.00 0.00 C ATOM 1314 C ARG A 83 184.759 9.672 9.904 1.00 0.00 C ATOM 1315 O ARG A 83 185.895 10.069 10.173 1.00 0.00 O ATOM 1316 CB ARG A 83 182.833 10.844 11.006 1.00 0.00 C ATOM 1317 CG ARG A 83 182.112 9.589 11.479 1.00 0.00 C ATOM 1318 CD ARG A 83 182.966 8.761 12.433 1.00 0.00 C ATOM 1319 NE ARG A 83 183.733 9.591 13.361 1.00 0.00 N ATOM 1320 CZ ARG A 83 184.921 9.248 13.858 1.00 0.00 C ATOM 1321 NH1 ARG A 83 185.478 8.087 13.537 1.00 0.00 N ATOM 1322 NH2 ARG A 83 185.553 10.071 14.683 1.00 0.00 N ATOM 0 H ARG A 83 181.758 10.072 8.910 1.00 0.00 H new ATOM 0 HA ARG A 83 184.032 11.621 9.409 1.00 0.00 H new ATOM 0 HB2 ARG A 83 183.521 11.171 11.785 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.102 11.642 10.871 1.00 0.00 H new ATOM 0 HG2 ARG A 83 181.184 9.871 11.976 1.00 0.00 H new ATOM 0 HG3 ARG A 83 181.840 8.981 10.616 1.00 0.00 H new ATOM 0 HD2 ARG A 83 182.323 8.087 12.999 1.00 0.00 H new ATOM 0 HD3 ARG A 83 183.650 8.139 11.856 1.00 0.00 H new ATOM 0 HE ARG A 83 183.335 10.486 13.645 1.00 0.00 H new ATOM 0 HH11 ARG A 83 184.996 7.448 12.904 1.00 0.00 H new ATOM 0 HH12 ARG A 83 186.388 7.834 13.923 1.00 0.00 H new ATOM 0 HH21 ARG A 83 185.130 10.964 14.936 1.00 0.00 H new ATOM 0 HH22 ARG A 83 186.462 9.811 15.065 1.00 0.00 H new ATOM 1336 N GLN A 84 184.457 8.385 9.766 1.00 0.00 N ATOM 1337 CA GLN A 84 185.466 7.349 9.929 1.00 0.00 C ATOM 1338 C GLN A 84 186.548 7.485 8.866 1.00 0.00 C ATOM 1339 O GLN A 84 187.728 7.637 9.182 1.00 0.00 O ATOM 1340 CB GLN A 84 184.823 5.964 9.844 1.00 0.00 C ATOM 1341 CG GLN A 84 185.659 4.866 10.482 1.00 0.00 C ATOM 1342 CD GLN A 84 184.808 3.776 11.099 1.00 0.00 C ATOM 1343 OE1 GLN A 84 185.102 3.283 12.188 1.00 0.00 O ATOM 1344 NE2 GLN A 84 183.744 3.391 10.403 1.00 0.00 N ATOM 0 H GLN A 84 183.525 8.037 9.542 1.00 0.00 H new ATOM 0 HA GLN A 84 185.924 7.468 10.911 1.00 0.00 H new ATOM 0 HB2 GLN A 84 183.847 5.995 10.329 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.651 5.716 8.797 1.00 0.00 H new ATOM 0 HG2 GLN A 84 186.315 4.429 9.729 1.00 0.00 H new ATOM 0 HG3 GLN A 84 186.300 5.301 11.249 1.00 0.00 H new ATOM 0 HE21 GLN A 84 183.537 3.827 9.504 1.00 0.00 H new ATOM 0 HE22 GLN A 84 183.134 2.660 10.767 1.00 0.00 H new ATOM 1353 N LEU A 85 186.137 7.432 7.603 1.00 0.00 N ATOM 1354 CA LEU A 85 187.068 7.553 6.484 1.00 0.00 C ATOM 1355 C LEU A 85 187.997 8.749 6.667 1.00 0.00 C ATOM 1356 O LEU A 85 189.148 8.727 6.230 1.00 0.00 O ATOM 1357 CB LEU A 85 186.296 7.689 5.170 1.00 0.00 C ATOM 1358 CG LEU A 85 186.913 6.959 3.975 1.00 0.00 C ATOM 1359 CD1 LEU A 85 185.890 6.804 2.860 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.146 7.699 3.475 1.00 0.00 C ATOM 0 H LEU A 85 185.163 7.306 7.327 1.00 0.00 H new ATOM 0 HA LEU A 85 187.677 6.650 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.284 7.315 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.211 8.748 4.925 1.00 0.00 H new ATOM 0 HG LEU A 85 187.220 5.965 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 85 186.346 6.283 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 85 185.039 6.229 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.552 7.789 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.571 7.165 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.866 8.706 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.885 7.756 4.274 1.00 0.00 H new ATOM 1372 N ASN A 86 187.490 9.792 7.314 1.00 0.00 N ATOM 1373 CA ASN A 86 188.275 10.998 7.555 1.00 0.00 C ATOM 1374 C ASN A 86 189.451 10.710 8.483 1.00 0.00 C ATOM 1375 O ASN A 86 190.608 10.909 8.113 1.00 0.00 O ATOM 1376 CB ASN A 86 187.393 12.093 8.159 1.00 0.00 C ATOM 1377 CG ASN A 86 186.702 12.930 7.100 1.00 0.00 C ATOM 1378 OD1 ASN A 86 187.353 13.587 6.289 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.374 12.908 7.104 1.00 0.00 N ATOM 0 H ASN A 86 186.539 9.827 7.681 1.00 0.00 H new ATOM 0 HA ASN A 86 188.668 11.341 6.598 1.00 0.00 H new ATOM 0 HB2 ASN A 86 186.642 11.636 8.804 1.00 0.00 H new ATOM 0 HB3 ASN A 86 188.003 12.741 8.789 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.853 13.451 6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 86 184.875 12.348 7.796 1.00 0.00 H new ATOM 1386 N LYS A 87 189.148 10.247 9.692 1.00 0.00 N ATOM 1387 CA LYS A 87 190.186 9.942 10.672 1.00 0.00 C ATOM 1388 C LYS A 87 190.965 8.685 10.282 1.00 0.00 C ATOM 1389 O LYS A 87 192.180 8.617 10.466 1.00 0.00 O ATOM 1390 CB LYS A 87 189.571 9.774 12.067 1.00 0.00 C ATOM 1391 CG LYS A 87 188.856 8.448 12.273 1.00 0.00 C ATOM 1392 CD LYS A 87 189.826 7.349 12.683 1.00 0.00 C ATOM 1393 CE LYS A 87 189.289 6.533 13.848 1.00 0.00 C ATOM 1394 NZ LYS A 87 190.097 5.306 14.085 1.00 0.00 N ATOM 0 H LYS A 87 188.196 10.075 10.016 1.00 0.00 H new ATOM 0 HA LYS A 87 190.884 10.779 10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 87 190.359 9.870 12.814 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.866 10.586 12.242 1.00 0.00 H new ATOM 0 HG2 LYS A 87 188.089 8.562 13.039 1.00 0.00 H new ATOM 0 HG3 LYS A 87 188.347 8.161 11.353 1.00 0.00 H new ATOM 0 HD2 LYS A 87 190.012 6.692 11.833 1.00 0.00 H new ATOM 0 HD3 LYS A 87 190.783 7.792 12.959 1.00 0.00 H new ATOM 0 HE2 LYS A 87 189.286 7.146 14.750 1.00 0.00 H new ATOM 0 HE3 LYS A 87 188.254 6.254 13.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 189.971 4.992 15.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 189.784 4.554 13.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 191.102 5.514 13.914 1.00 0.00 H new ATOM 1408 N LEU A 88 190.259 7.695 9.748 1.00 0.00 N ATOM 1409 CA LEU A 88 190.888 6.443 9.341 1.00 0.00 C ATOM 1410 C LEU A 88 191.921 6.682 8.245 1.00 0.00 C ATOM 1411 O LEU A 88 192.985 6.063 8.236 1.00 0.00 O ATOM 1412 CB LEU A 88 189.830 5.447 8.856 1.00 0.00 C ATOM 1413 CG LEU A 88 190.044 4.003 9.311 1.00 0.00 C ATOM 1414 CD1 LEU A 88 191.336 3.445 8.732 1.00 0.00 C ATOM 1415 CD2 LEU A 88 190.060 3.919 10.830 1.00 0.00 C ATOM 0 H LEU A 88 189.253 7.734 9.587 1.00 0.00 H new ATOM 0 HA LEU A 88 191.398 6.025 10.209 1.00 0.00 H new ATOM 0 HB2 LEU A 88 188.852 5.780 9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 88 189.805 5.469 7.767 1.00 0.00 H new ATOM 0 HG LEU A 88 189.214 3.400 8.942 1.00 0.00 H new ATOM 0 HD11 LEU A 88 191.471 2.417 9.067 1.00 0.00 H new ATOM 0 HD12 LEU A 88 191.287 3.468 7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 88 192.177 4.050 9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 88 190.213 2.884 11.136 1.00 0.00 H new ATOM 0 HD22 LEU A 88 190.869 4.536 11.220 1.00 0.00 H new ATOM 0 HD23 LEU A 88 189.109 4.277 11.224 1.00 0.00 H new