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 13 THR OG1 : rot 136:sc= -0.876 USER MOD Set 1.2: A 70 MET CE :methyl -167:sc= -4.27! (180deg=-4.41) USER MOD Set 2.1: A 56 THR OG1 : rot -65:sc= 1.13 USER MOD Set 2.2: A 58 ASN : amide:sc= -1.31 K(o=-0.18,f=-2.1!) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -165:sc= 1.07 (180deg=0) USER MOD Set 3.2: A 9 GLN : amide:sc= -2.34 K(o=-1.3,f=-16!) USER MOD Set 4.1: A 4 ASN : amide:sc= -0.209 K(o=-0.61,f=-1.9) USER MOD Set 4.2: A 36 ASN : amide:sc= -0.405 K(o=-0.61,f=-3.2!) USER MOD Single : A 1 MET CE :methyl -164:sc= -4.26 (180deg=-5.54!) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.00444 (180deg=-0.127) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 3 MET CE :methyl -155:sc= -0.289 (180deg=-2.26) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -130:sc= 0.0409 USER MOD Single : A 10 MET CE :methyl -175:sc= 0 (180deg=-0.0102) USER MOD Single : A 18 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.018) USER MOD Single : A 19 HIS : no HD1:sc= -3.5 X(o=-3.5,f=-3) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.28) USER MOD Single : A 32 THR OG1 : rot -74:sc= -4.99! USER MOD Single : A 33 HIS : no HD1:sc= -1.95! K(o=-1.9!,f=-0.59) USER MOD Single : A 38 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.68) USER MOD Single : A 42 SER OG : rot 150:sc= -0.916 USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0148) USER MOD Single : A 46 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.098) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00442 USER MOD Single : A 55 ASN : amide:sc= -0.965 K(o=-0.96,f=-2.2!) 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= -1.28 K(o=-1.3,f=-2.1!) USER MOD Single : A 71 TYR OH : rot 180:sc= -3.76! USER MOD Single : A 72 THR OG1 : rot -160:sc= -2.25 USER MOD Single : A 75 ASN : amide:sc= -0.504 K(o=-0.5,f=0) USER MOD Single : A 79 ASN : amide:sc= 0.715 K(o=0.72,f=-0.45) USER MOD Single : A 80 LYS NZ :NH3+ -117:sc= -0.532 (180deg=-1.14) USER MOD Single : A 84 GLN : amide:sc= -0.057 K(o=-0.057,f=-1.9!) USER MOD Single : A 86 ASN : amide:sc= -5.04! K(o=-5!,f=-1.9) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.065 0.578 -8.181 1.00 0.00 N ATOM 2 CA MET A 1 185.282 -0.274 -7.247 1.00 0.00 C ATOM 3 C MET A 1 184.054 -0.867 -7.934 1.00 0.00 C ATOM 4 O MET A 1 183.408 -0.211 -8.751 1.00 0.00 O ATOM 5 CB MET A 1 184.856 0.580 -6.049 1.00 0.00 C ATOM 6 CG MET A 1 183.783 1.605 -6.378 1.00 0.00 C ATOM 7 SD MET A 1 183.557 2.821 -5.067 1.00 0.00 S ATOM 8 CE MET A 1 183.764 4.344 -5.984 1.00 0.00 C ATOM 0 H1 MET A 1 186.757 1.137 -7.643 1.00 0.00 H new ATOM 0 H2 MET A 1 186.564 -0.025 -8.866 1.00 0.00 H new ATOM 0 H3 MET A 1 185.422 1.219 -8.688 1.00 0.00 H new ATOM 0 HA MET A 1 185.904 -1.105 -6.916 1.00 0.00 H new ATOM 0 HB2 MET A 1 184.489 -0.076 -5.259 1.00 0.00 H new ATOM 0 HB3 MET A 1 185.730 1.097 -5.654 1.00 0.00 H new ATOM 0 HG2 MET A 1 184.048 2.118 -7.302 1.00 0.00 H new ATOM 0 HG3 MET A 1 182.839 1.091 -6.558 1.00 0.00 H new ATOM 0 HE1 MET A 1 183.936 5.166 -5.290 1.00 0.00 H new ATOM 0 HE2 MET A 1 184.617 4.251 -6.656 1.00 0.00 H new ATOM 0 HE3 MET A 1 182.864 4.543 -6.566 1.00 0.00 H new ATOM 20 N THR A 2 183.735 -2.112 -7.591 1.00 0.00 N ATOM 21 CA THR A 2 182.584 -2.794 -8.168 1.00 0.00 C ATOM 22 C THR A 2 181.327 -2.521 -7.331 1.00 0.00 C ATOM 23 O THR A 2 181.075 -1.380 -6.944 1.00 0.00 O ATOM 24 CB THR A 2 182.865 -4.298 -8.273 1.00 0.00 C ATOM 25 OG1 THR A 2 181.754 -4.979 -8.827 1.00 0.00 O ATOM 26 CG2 THR A 2 183.182 -4.944 -6.942 1.00 0.00 C ATOM 0 H THR A 2 184.259 -2.668 -6.915 1.00 0.00 H new ATOM 0 HA THR A 2 182.407 -2.409 -9.172 1.00 0.00 H new ATOM 0 HB THR A 2 183.741 -4.382 -8.916 1.00 0.00 H new ATOM 0 HG1 THR A 2 181.954 -5.936 -8.887 1.00 0.00 H new ATOM 0 HG21 THR A 2 183.370 -6.007 -7.089 1.00 0.00 H new ATOM 0 HG22 THR A 2 184.067 -4.475 -6.512 1.00 0.00 H new ATOM 0 HG23 THR A 2 182.338 -4.815 -6.265 1.00 0.00 H new ATOM 34 N MET A 3 180.540 -3.560 -7.051 1.00 0.00 N ATOM 35 CA MET A 3 179.327 -3.403 -6.259 1.00 0.00 C ATOM 36 C MET A 3 178.878 -4.749 -5.701 1.00 0.00 C ATOM 37 O MET A 3 178.018 -5.417 -6.277 1.00 0.00 O ATOM 38 CB MET A 3 178.214 -2.782 -7.106 1.00 0.00 C ATOM 39 CG MET A 3 177.405 -1.728 -6.366 1.00 0.00 C ATOM 40 SD MET A 3 176.728 -0.472 -7.466 1.00 0.00 S ATOM 41 CE MET A 3 175.483 0.268 -6.412 1.00 0.00 C ATOM 0 H MET A 3 180.722 -4.515 -7.361 1.00 0.00 H new ATOM 0 HA MET A 3 179.543 -2.736 -5.425 1.00 0.00 H new ATOM 0 HB2 MET A 3 178.654 -2.332 -7.996 1.00 0.00 H new ATOM 0 HB3 MET A 3 177.543 -3.571 -7.446 1.00 0.00 H new ATOM 0 HG2 MET A 3 176.590 -2.213 -5.829 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.038 -1.248 -5.619 1.00 0.00 H new ATOM 0 HE1 MET A 3 174.706 0.720 -7.029 1.00 0.00 H new ATOM 0 HE2 MET A 3 175.042 -0.499 -5.776 1.00 0.00 H new ATOM 0 HE3 MET A 3 175.943 1.035 -5.789 1.00 0.00 H new ATOM 51 N ASN A 4 179.476 -5.147 -4.584 1.00 0.00 N ATOM 52 CA ASN A 4 179.148 -6.420 -3.953 1.00 0.00 C ATOM 53 C ASN A 4 177.965 -6.280 -2.998 1.00 0.00 C ATOM 54 O ASN A 4 178.113 -6.419 -1.785 1.00 0.00 O ATOM 55 CB ASN A 4 180.364 -6.965 -3.201 1.00 0.00 C ATOM 56 CG ASN A 4 181.231 -7.857 -4.071 1.00 0.00 C ATOM 57 OD1 ASN A 4 182.271 -7.433 -4.571 1.00 0.00 O ATOM 58 ND2 ASN A 4 180.803 -9.102 -4.253 1.00 0.00 N ATOM 0 H ASN A 4 180.191 -4.606 -4.097 1.00 0.00 H new ATOM 0 HA ASN A 4 178.866 -7.120 -4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 4 180.962 -6.132 -2.830 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.027 -7.528 -2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 4 181.344 -9.748 -4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 4 179.933 -9.411 -3.818 1.00 0.00 H new ATOM 65 N ILE A 5 176.789 -6.015 -3.557 1.00 0.00 N ATOM 66 CA ILE A 5 175.577 -5.868 -2.754 1.00 0.00 C ATOM 67 C ILE A 5 174.945 -7.229 -2.483 1.00 0.00 C ATOM 68 O ILE A 5 174.196 -7.752 -3.308 1.00 0.00 O ATOM 69 CB ILE A 5 174.533 -4.964 -3.454 1.00 0.00 C ATOM 70 CG1 ILE A 5 174.344 -5.449 -4.890 1.00 0.00 C ATOM 71 CG2 ILE A 5 174.938 -3.493 -3.402 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.859 -4.508 -5.964 1.00 0.00 C ATOM 0 H ILE A 5 176.648 -5.898 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 5 175.873 -5.401 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 5 173.583 -5.036 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 5 174.846 -6.410 -5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 5 173.282 -5.623 -5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 5 174.181 -2.889 -3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 5 175.025 -3.176 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 5 175.897 -3.362 -3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 5 174.678 -4.943 -6.947 1.00 0.00 H new ATOM 0 HD12 ILE A 5 174.341 -3.552 -5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 5 175.929 -4.352 -5.828 1.00 0.00 H new ATOM 84 N THR A 6 175.256 -7.800 -1.322 1.00 0.00 N ATOM 85 CA THR A 6 174.722 -9.104 -0.942 1.00 0.00 C ATOM 86 C THR A 6 173.745 -8.975 0.224 1.00 0.00 C ATOM 87 O THR A 6 174.154 -8.861 1.379 1.00 0.00 O ATOM 88 CB THR A 6 175.861 -10.051 -0.562 1.00 0.00 C ATOM 89 OG1 THR A 6 176.890 -10.015 -1.535 1.00 0.00 O ATOM 90 CG2 THR A 6 175.419 -11.492 -0.418 1.00 0.00 C ATOM 0 H THR A 6 175.875 -7.380 -0.629 1.00 0.00 H new ATOM 0 HA THR A 6 174.186 -9.513 -1.798 1.00 0.00 H new ATOM 0 HB THR A 6 176.218 -9.698 0.405 1.00 0.00 H new ATOM 0 HG1 THR A 6 177.610 -10.626 -1.273 1.00 0.00 H new ATOM 0 HG21 THR A 6 176.275 -12.110 -0.148 1.00 0.00 H new ATOM 0 HG22 THR A 6 174.659 -11.564 0.361 1.00 0.00 H new ATOM 0 HG23 THR A 6 175.004 -11.841 -1.363 1.00 0.00 H new ATOM 98 N SER A 7 172.454 -8.999 -0.089 1.00 0.00 N ATOM 99 CA SER A 7 171.416 -8.888 0.931 1.00 0.00 C ATOM 100 C SER A 7 170.975 -10.269 1.411 1.00 0.00 C ATOM 101 O SER A 7 171.205 -11.273 0.736 1.00 0.00 O ATOM 102 CB SER A 7 170.222 -8.107 0.381 1.00 0.00 C ATOM 103 OG SER A 7 170.535 -6.730 0.253 1.00 0.00 O ATOM 0 H SER A 7 172.101 -9.094 -1.041 1.00 0.00 H new ATOM 0 HA SER A 7 171.827 -8.349 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.934 -8.511 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.365 -8.229 1.044 1.00 0.00 H new ATOM 0 HG SER A 7 169.831 -6.194 0.675 1.00 0.00 H new ATOM 109 N LYS A 8 170.353 -10.318 2.589 1.00 0.00 N ATOM 110 CA LYS A 8 169.898 -11.584 3.158 1.00 0.00 C ATOM 111 C LYS A 8 168.563 -12.025 2.558 1.00 0.00 C ATOM 112 O LYS A 8 168.533 -12.830 1.628 1.00 0.00 O ATOM 113 CB LYS A 8 169.791 -11.471 4.683 1.00 0.00 C ATOM 114 CG LYS A 8 169.666 -12.817 5.383 1.00 0.00 C ATOM 115 CD LYS A 8 168.622 -12.778 6.487 1.00 0.00 C ATOM 116 CE LYS A 8 169.023 -11.823 7.600 1.00 0.00 C ATOM 117 NZ LYS A 8 167.852 -11.390 8.414 1.00 0.00 N ATOM 0 H LYS A 8 170.154 -9.500 3.164 1.00 0.00 H new ATOM 0 HA LYS A 8 170.636 -12.346 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 8 170.671 -10.952 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 8 168.926 -10.858 4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 8 169.398 -13.583 4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 8 170.631 -13.100 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 8 167.662 -12.471 6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 8 168.486 -13.779 6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 8 169.755 -12.307 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 8 169.508 -10.947 7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 168.114 -10.562 8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 167.064 -11.140 7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 167.560 -12.166 9.042 1.00 0.00 H new ATOM 131 N GLN A 9 167.459 -11.502 3.090 1.00 0.00 N ATOM 132 CA GLN A 9 166.132 -11.859 2.594 1.00 0.00 C ATOM 133 C GLN A 9 165.457 -10.669 1.915 1.00 0.00 C ATOM 134 O GLN A 9 164.235 -10.632 1.778 1.00 0.00 O ATOM 135 CB GLN A 9 165.257 -12.391 3.737 1.00 0.00 C ATOM 136 CG GLN A 9 164.661 -11.311 4.633 1.00 0.00 C ATOM 137 CD GLN A 9 165.675 -10.707 5.584 1.00 0.00 C ATOM 138 OE1 GLN A 9 165.959 -11.266 6.642 1.00 0.00 O ATOM 139 NE2 GLN A 9 166.220 -9.555 5.214 1.00 0.00 N ATOM 0 H GLN A 9 167.457 -10.833 3.860 1.00 0.00 H new ATOM 0 HA GLN A 9 166.253 -12.646 1.850 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.445 -12.981 3.312 1.00 0.00 H new ATOM 0 HB3 GLN A 9 165.854 -13.066 4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 9 164.239 -10.522 4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 9 163.839 -11.737 5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 9 165.955 -9.127 4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 9 166.904 -9.098 5.817 1.00 0.00 H new ATOM 148 N MET A 10 166.262 -9.700 1.490 1.00 0.00 N ATOM 149 CA MET A 10 165.741 -8.513 0.826 1.00 0.00 C ATOM 150 C MET A 10 166.775 -7.936 -0.133 1.00 0.00 C ATOM 151 O MET A 10 167.602 -7.110 0.254 1.00 0.00 O ATOM 152 CB MET A 10 165.337 -7.458 1.859 1.00 0.00 C ATOM 153 CG MET A 10 164.789 -6.181 1.242 1.00 0.00 C ATOM 154 SD MET A 10 163.066 -5.875 1.685 1.00 0.00 S ATOM 155 CE MET A 10 162.618 -4.643 0.464 1.00 0.00 C ATOM 0 H MET A 10 167.277 -9.715 1.594 1.00 0.00 H new ATOM 0 HA MET A 10 164.859 -8.802 0.254 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.585 -7.882 2.524 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.203 -7.212 2.473 1.00 0.00 H new ATOM 0 HG2 MET A 10 165.398 -5.336 1.564 1.00 0.00 H new ATOM 0 HG3 MET A 10 164.876 -6.241 0.157 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.607 -4.286 0.661 1.00 0.00 H new ATOM 0 HE2 MET A 10 163.315 -3.807 0.518 1.00 0.00 H new ATOM 0 HE3 MET A 10 162.659 -5.086 -0.531 1.00 0.00 H new ATOM 165 N GLU A 11 166.723 -8.377 -1.386 1.00 0.00 N ATOM 166 CA GLU A 11 167.656 -7.906 -2.404 1.00 0.00 C ATOM 167 C GLU A 11 167.665 -6.382 -2.475 1.00 0.00 C ATOM 168 O GLU A 11 166.979 -5.709 -1.704 1.00 0.00 O ATOM 169 CB GLU A 11 167.293 -8.490 -3.769 1.00 0.00 C ATOM 170 CG GLU A 11 165.934 -8.040 -4.282 1.00 0.00 C ATOM 171 CD GLU A 11 164.807 -8.934 -3.805 1.00 0.00 C ATOM 172 OE1 GLU A 11 164.525 -9.946 -4.479 1.00 0.00 O ATOM 173 OE2 GLU A 11 164.204 -8.620 -2.756 1.00 0.00 O ATOM 0 H GLU A 11 166.044 -9.060 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 11 168.655 -8.243 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 11 168.057 -8.205 -4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 11 167.306 -9.578 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 11 165.746 -7.018 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 11 165.947 -8.028 -5.372 1.00 0.00 H new ATOM 180 N ILE A 12 168.447 -5.843 -3.402 1.00 0.00 N ATOM 181 CA ILE A 12 168.545 -4.397 -3.568 1.00 0.00 C ATOM 182 C ILE A 12 167.495 -3.888 -4.548 1.00 0.00 C ATOM 183 O ILE A 12 167.606 -4.094 -5.757 1.00 0.00 O ATOM 184 CB ILE A 12 169.944 -3.965 -4.063 1.00 0.00 C ATOM 185 CG1 ILE A 12 171.007 -5.007 -3.694 1.00 0.00 C ATOM 186 CG2 ILE A 12 170.309 -2.609 -3.479 1.00 0.00 C ATOM 187 CD1 ILE A 12 171.025 -5.365 -2.223 1.00 0.00 C ATOM 0 H ILE A 12 169.021 -6.383 -4.049 1.00 0.00 H new ATOM 0 HA ILE A 12 168.373 -3.960 -2.585 1.00 0.00 H new ATOM 0 HB ILE A 12 169.912 -3.888 -5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 12 170.834 -5.912 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.989 -4.628 -3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 12 171.296 -2.314 -3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.574 -1.868 -3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 12 170.319 -2.672 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 12 171.802 -6.107 -2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 12 171.229 -4.471 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 12 170.057 -5.775 -1.936 1.00 0.00 H new ATOM 199 N THR A 13 166.477 -3.219 -4.019 1.00 0.00 N ATOM 200 CA THR A 13 165.408 -2.676 -4.848 1.00 0.00 C ATOM 201 C THR A 13 165.936 -1.548 -5.730 1.00 0.00 C ATOM 202 O THR A 13 166.940 -0.915 -5.405 1.00 0.00 O ATOM 203 CB THR A 13 164.262 -2.164 -3.972 1.00 0.00 C ATOM 204 OG1 THR A 13 164.563 -0.881 -3.453 1.00 0.00 O ATOM 205 CG2 THR A 13 163.949 -3.072 -2.801 1.00 0.00 C ATOM 0 H THR A 13 166.370 -3.040 -3.021 1.00 0.00 H new ATOM 0 HA THR A 13 165.032 -3.474 -5.489 1.00 0.00 H new ATOM 0 HB THR A 13 163.391 -2.131 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.776 -0.302 -3.534 1.00 0.00 H new ATOM 0 HG21 THR A 13 163.128 -2.649 -2.222 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.664 -4.057 -3.170 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.830 -3.164 -2.166 1.00 0.00 H new ATOM 213 N PRO A 14 165.264 -1.275 -6.862 1.00 0.00 N ATOM 214 CA PRO A 14 165.672 -0.215 -7.786 1.00 0.00 C ATOM 215 C PRO A 14 165.947 1.101 -7.066 1.00 0.00 C ATOM 216 O PRO A 14 166.861 1.842 -7.429 1.00 0.00 O ATOM 217 CB PRO A 14 164.473 -0.071 -8.741 1.00 0.00 C ATOM 218 CG PRO A 14 163.381 -0.908 -8.152 1.00 0.00 C ATOM 219 CD PRO A 14 164.060 -1.965 -7.333 1.00 0.00 C ATOM 0 HA PRO A 14 166.602 -0.462 -8.298 1.00 0.00 H new ATOM 0 HB2 PRO A 14 164.164 0.971 -8.827 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.729 -0.411 -9.744 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.717 -0.303 -7.534 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.768 -1.356 -8.935 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.435 -2.301 -6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 14 164.303 -2.846 -7.928 1.00 0.00 H new ATOM 227 N ALA A 15 165.153 1.382 -6.038 1.00 0.00 N ATOM 228 CA ALA A 15 165.312 2.606 -5.262 1.00 0.00 C ATOM 229 C ALA A 15 166.589 2.564 -4.429 1.00 0.00 C ATOM 230 O ALA A 15 167.387 3.500 -4.452 1.00 0.00 O ATOM 231 CB ALA A 15 164.100 2.820 -4.365 1.00 0.00 C ATOM 0 H ALA A 15 164.393 0.779 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 15 165.390 3.443 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.230 3.737 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.203 2.901 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.998 1.976 -3.683 1.00 0.00 H new ATOM 237 N ILE A 16 166.776 1.472 -3.694 1.00 0.00 N ATOM 238 CA ILE A 16 167.956 1.309 -2.856 1.00 0.00 C ATOM 239 C ILE A 16 169.217 1.172 -3.705 1.00 0.00 C ATOM 240 O ILE A 16 170.222 1.839 -3.454 1.00 0.00 O ATOM 241 CB ILE A 16 167.828 0.076 -1.939 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.514 0.129 -1.158 1.00 0.00 C ATOM 243 CG2 ILE A 16 169.012 -0.005 -0.985 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.288 -1.076 -0.272 1.00 0.00 C ATOM 0 H ILE A 16 166.125 0.688 -3.663 1.00 0.00 H new ATOM 0 HA ILE A 16 168.033 2.204 -2.238 1.00 0.00 H new ATOM 0 HB ILE A 16 167.826 -0.819 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.502 1.029 -0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.686 0.213 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 16 168.905 -0.881 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 16 169.936 -0.085 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.044 0.893 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.338 -0.970 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.267 -1.978 -0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.096 -1.149 0.456 1.00 0.00 H new ATOM 256 N ARG A 17 169.158 0.303 -4.710 1.00 0.00 N ATOM 257 CA ARG A 17 170.292 0.078 -5.597 1.00 0.00 C ATOM 258 C ARG A 17 170.725 1.381 -6.265 1.00 0.00 C ATOM 259 O ARG A 17 171.905 1.584 -6.549 1.00 0.00 O ATOM 260 CB ARG A 17 169.935 -0.972 -6.655 1.00 0.00 C ATOM 261 CG ARG A 17 170.951 -1.087 -7.782 1.00 0.00 C ATOM 262 CD ARG A 17 170.477 -2.047 -8.862 1.00 0.00 C ATOM 263 NE ARG A 17 171.587 -2.783 -9.464 1.00 0.00 N ATOM 264 CZ ARG A 17 172.379 -2.286 -10.412 1.00 0.00 C ATOM 265 NH1 ARG A 17 172.192 -1.054 -10.865 1.00 0.00 N ATOM 266 NH2 ARG A 17 173.361 -3.025 -10.906 1.00 0.00 N ATOM 0 H ARG A 17 168.335 -0.257 -4.930 1.00 0.00 H new ATOM 0 HA ARG A 17 171.127 -0.292 -5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 17 169.835 -1.943 -6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 17 168.962 -0.727 -7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 17 171.125 -0.103 -8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 17 171.904 -1.431 -7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 17 169.764 -2.752 -8.434 1.00 0.00 H new ATOM 0 HD3 ARG A 17 169.949 -1.490 -9.636 1.00 0.00 H new ATOM 0 HE ARG A 17 171.765 -3.733 -9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 17 171.438 -0.481 -10.487 1.00 0.00 H new ATOM 0 HH12 ARG A 17 172.802 -0.680 -11.591 1.00 0.00 H new ATOM 0 HH21 ARG A 17 173.509 -3.973 -10.560 1.00 0.00 H new ATOM 0 HH22 ARG A 17 173.969 -2.646 -11.632 1.00 0.00 H new ATOM 280 N GLN A 18 169.761 2.264 -6.508 1.00 0.00 N ATOM 281 CA GLN A 18 170.043 3.548 -7.139 1.00 0.00 C ATOM 282 C GLN A 18 170.753 4.484 -6.165 1.00 0.00 C ATOM 283 O GLN A 18 171.640 5.244 -6.552 1.00 0.00 O ATOM 284 CB GLN A 18 168.748 4.194 -7.634 1.00 0.00 C ATOM 285 CG GLN A 18 168.490 3.978 -9.117 1.00 0.00 C ATOM 286 CD GLN A 18 168.578 5.262 -9.919 1.00 0.00 C ATOM 287 OE1 GLN A 18 167.728 5.540 -10.764 1.00 0.00 O ATOM 288 NE2 GLN A 18 169.612 6.053 -9.654 1.00 0.00 N ATOM 0 H GLN A 18 168.779 2.114 -6.278 1.00 0.00 H new ATOM 0 HA GLN A 18 170.699 3.371 -7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 18 167.910 3.791 -7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.785 5.264 -7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 18 169.212 3.261 -9.507 1.00 0.00 H new ATOM 0 HG3 GLN A 18 167.501 3.539 -9.249 1.00 0.00 H new ATOM 0 HE21 GLN A 18 170.293 5.782 -8.944 1.00 0.00 H new ATOM 0 HE22 GLN A 18 169.725 6.931 -10.160 1.00 0.00 H new ATOM 297 N HIS A 19 170.356 4.419 -4.897 1.00 0.00 N ATOM 298 CA HIS A 19 170.951 5.259 -3.864 1.00 0.00 C ATOM 299 C HIS A 19 172.432 4.935 -3.689 1.00 0.00 C ATOM 300 O HIS A 19 173.274 5.834 -3.651 1.00 0.00 O ATOM 301 CB HIS A 19 170.211 5.070 -2.538 1.00 0.00 C ATOM 302 CG HIS A 19 169.342 6.230 -2.168 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.482 6.841 -3.057 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.199 6.893 -0.996 1.00 0.00 C ATOM 305 CE1 HIS A 19 167.849 7.828 -2.448 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.265 7.880 -1.197 1.00 0.00 N ATOM 0 H HIS A 19 169.624 3.793 -4.561 1.00 0.00 H new ATOM 0 HA HIS A 19 170.861 6.300 -4.175 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.597 4.171 -2.599 1.00 0.00 H new ATOM 0 HB3 HIS A 19 170.940 4.905 -1.745 1.00 0.00 H new ATOM 0 HD2 HIS A 19 169.722 6.685 -0.074 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.116 8.481 -2.898 1.00 0.00 H new ATOM 0 HE2 HIS A 19 167.945 8.545 -0.493 1.00 0.00 H new ATOM 315 N VAL A 20 172.743 3.648 -3.581 1.00 0.00 N ATOM 316 CA VAL A 20 174.121 3.206 -3.409 1.00 0.00 C ATOM 317 C VAL A 20 174.941 3.456 -4.670 1.00 0.00 C ATOM 318 O VAL A 20 176.140 3.725 -4.600 1.00 0.00 O ATOM 319 CB VAL A 20 174.189 1.708 -3.056 1.00 0.00 C ATOM 320 CG1 VAL A 20 175.614 1.303 -2.710 1.00 0.00 C ATOM 321 CG2 VAL A 20 173.243 1.388 -1.907 1.00 0.00 C ATOM 0 H VAL A 20 172.058 2.892 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 20 174.539 3.786 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 20 173.875 1.134 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 20 175.641 0.242 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 20 176.264 1.494 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 20 175.959 1.883 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 20 173.304 0.326 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 20 173.525 1.971 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 20 172.222 1.638 -2.196 1.00 0.00 H new ATOM 331 N ALA A 21 174.286 3.365 -5.822 1.00 0.00 N ATOM 332 CA ALA A 21 174.955 3.581 -7.101 1.00 0.00 C ATOM 333 C ALA A 21 175.567 4.976 -7.176 1.00 0.00 C ATOM 334 O ALA A 21 176.763 5.126 -7.427 1.00 0.00 O ATOM 335 CB ALA A 21 173.977 3.371 -8.248 1.00 0.00 C ATOM 0 H ALA A 21 173.293 3.143 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 21 175.763 2.855 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.488 3.535 -9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 21 173.591 2.352 -8.215 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.150 4.075 -8.155 1.00 0.00 H new ATOM 341 N ASP A 22 174.741 5.992 -6.954 1.00 0.00 N ATOM 342 CA ASP A 22 175.201 7.376 -6.997 1.00 0.00 C ATOM 343 C ASP A 22 176.236 7.641 -5.907 1.00 0.00 C ATOM 344 O ASP A 22 177.315 8.167 -6.177 1.00 0.00 O ATOM 345 CB ASP A 22 174.019 8.334 -6.840 1.00 0.00 C ATOM 346 CG ASP A 22 174.192 9.602 -7.652 1.00 0.00 C ATOM 347 OD1 ASP A 22 174.962 9.579 -8.634 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.556 10.620 -7.305 1.00 0.00 O ATOM 0 H ASP A 22 173.749 5.884 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 22 175.670 7.546 -7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.103 7.830 -7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.902 8.593 -5.788 1.00 0.00 H new ATOM 353 N ARG A 23 175.896 7.276 -4.674 1.00 0.00 N ATOM 354 CA ARG A 23 176.794 7.477 -3.543 1.00 0.00 C ATOM 355 C ARG A 23 178.114 6.741 -3.755 1.00 0.00 C ATOM 356 O ARG A 23 179.183 7.261 -3.435 1.00 0.00 O ATOM 357 CB ARG A 23 176.132 6.996 -2.250 1.00 0.00 C ATOM 358 CG ARG A 23 176.940 7.312 -1.001 1.00 0.00 C ATOM 359 CD ARG A 23 177.790 6.127 -0.573 1.00 0.00 C ATOM 360 NE ARG A 23 176.986 4.925 -0.358 1.00 0.00 N ATOM 361 CZ ARG A 23 177.482 3.766 0.066 1.00 0.00 C ATOM 362 NH1 ARG A 23 178.779 3.646 0.323 1.00 0.00 N ATOM 363 NH2 ARG A 23 176.681 2.723 0.236 1.00 0.00 N ATOM 0 H ARG A 23 175.006 6.840 -4.434 1.00 0.00 H new ATOM 0 HA ARG A 23 177.004 8.544 -3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 23 175.148 7.456 -2.162 1.00 0.00 H new ATOM 0 HB3 ARG A 23 175.976 5.919 -2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 23 177.582 8.172 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 23 176.266 7.589 -0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 23 178.544 5.928 -1.335 1.00 0.00 H new ATOM 0 HD3 ARG A 23 178.323 6.376 0.345 1.00 0.00 H new ATOM 0 HE ARG A 23 175.985 4.978 -0.544 1.00 0.00 H new ATOM 0 HH11 ARG A 23 179.400 4.445 0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 23 179.154 2.755 0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 23 175.683 2.809 0.042 1.00 0.00 H new ATOM 0 HH22 ARG A 23 177.062 1.835 0.561 1.00 0.00 H new ATOM 377 N LEU A 24 178.031 5.530 -4.296 1.00 0.00 N ATOM 378 CA LEU A 24 179.218 4.721 -4.549 1.00 0.00 C ATOM 379 C LEU A 24 180.179 5.442 -5.488 1.00 0.00 C ATOM 380 O LEU A 24 181.385 5.492 -5.240 1.00 0.00 O ATOM 381 CB LEU A 24 178.821 3.371 -5.146 1.00 0.00 C ATOM 382 CG LEU A 24 179.992 2.453 -5.511 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.084 1.287 -4.539 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.852 1.947 -6.938 1.00 0.00 C ATOM 0 H LEU A 24 177.153 5.087 -4.568 1.00 0.00 H new ATOM 0 HA LEU A 24 179.724 4.556 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.180 2.851 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.225 3.548 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 24 180.913 3.032 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 24 180.922 0.647 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 24 180.236 1.667 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 24 179.160 0.710 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 24 180.693 1.297 -7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 24 178.922 1.388 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 24 179.840 2.793 -7.625 1.00 0.00 H new ATOM 396 N ALA A 25 179.639 5.998 -6.568 1.00 0.00 N ATOM 397 CA ALA A 25 180.452 6.713 -7.546 1.00 0.00 C ATOM 398 C ALA A 25 180.875 8.082 -7.022 1.00 0.00 C ATOM 399 O ALA A 25 181.982 8.547 -7.297 1.00 0.00 O ATOM 400 CB ALA A 25 179.689 6.862 -8.854 1.00 0.00 C ATOM 0 H ALA A 25 178.643 5.967 -6.788 1.00 0.00 H new ATOM 0 HA ALA A 25 181.355 6.129 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 25 180.306 7.397 -9.576 1.00 0.00 H new ATOM 0 HB2 ALA A 25 179.444 5.875 -9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.770 7.421 -8.677 1.00 0.00 H new ATOM 406 N LYS A 26 179.989 8.724 -6.269 1.00 0.00 N ATOM 407 CA LYS A 26 180.272 10.040 -5.708 1.00 0.00 C ATOM 408 C LYS A 26 181.400 9.968 -4.683 1.00 0.00 C ATOM 409 O LYS A 26 182.270 10.840 -4.638 1.00 0.00 O ATOM 410 CB LYS A 26 179.015 10.623 -5.061 1.00 0.00 C ATOM 411 CG LYS A 26 177.889 10.889 -6.051 1.00 0.00 C ATOM 412 CD LYS A 26 177.565 12.371 -6.146 1.00 0.00 C ATOM 413 CE LYS A 26 178.767 13.176 -6.618 1.00 0.00 C ATOM 414 NZ LYS A 26 178.367 14.497 -7.178 1.00 0.00 N ATOM 0 H LYS A 26 179.068 8.354 -6.033 1.00 0.00 H new ATOM 0 HA LYS A 26 180.589 10.692 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 26 178.659 9.935 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.274 11.555 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 26 178.173 10.514 -7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 26 176.998 10.340 -5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 26 176.733 12.519 -6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 26 177.241 12.737 -5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 26 179.452 13.328 -5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 26 179.308 12.609 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 179.215 15.014 -7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 177.734 14.352 -7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 177.873 15.049 -6.448 1.00 0.00 H new ATOM 428 N LEU A 27 181.380 8.924 -3.860 1.00 0.00 N ATOM 429 CA LEU A 27 182.401 8.737 -2.833 1.00 0.00 C ATOM 430 C LEU A 27 183.773 8.462 -3.451 1.00 0.00 C ATOM 431 O LEU A 27 184.791 8.503 -2.761 1.00 0.00 O ATOM 432 CB LEU A 27 182.010 7.586 -1.903 1.00 0.00 C ATOM 433 CG LEU A 27 182.222 7.857 -0.413 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.143 7.173 0.413 1.00 0.00 C ATOM 435 CD2 LEU A 27 183.604 7.391 0.021 1.00 0.00 C ATOM 0 H LEU A 27 180.668 8.194 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 27 182.467 9.661 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 27 180.959 7.347 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 27 182.585 6.703 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 27 182.153 8.932 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 27 181.310 7.377 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.165 7.554 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 27 181.180 6.097 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 27 183.738 7.591 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 27 183.701 6.321 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 27 184.364 7.927 -0.548 1.00 0.00 H new ATOM 447 N GLU A 28 183.796 8.180 -4.752 1.00 0.00 N ATOM 448 CA GLU A 28 185.045 7.897 -5.449 1.00 0.00 C ATOM 449 C GLU A 28 185.993 9.096 -5.412 1.00 0.00 C ATOM 450 O GLU A 28 187.184 8.958 -5.692 1.00 0.00 O ATOM 451 CB GLU A 28 184.761 7.507 -6.903 1.00 0.00 C ATOM 452 CG GLU A 28 186.016 7.250 -7.727 1.00 0.00 C ATOM 453 CD GLU A 28 186.991 6.317 -7.037 1.00 0.00 C ATOM 454 OE1 GLU A 28 186.534 5.390 -6.338 1.00 0.00 O ATOM 455 OE2 GLU A 28 188.215 6.514 -7.196 1.00 0.00 O ATOM 0 H GLU A 28 182.965 8.142 -5.342 1.00 0.00 H new ATOM 0 HA GLU A 28 185.529 7.066 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.140 6.611 -6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.183 8.301 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 28 185.732 6.824 -8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 28 186.511 8.199 -7.932 1.00 0.00 H new ATOM 462 N LYS A 29 185.466 10.271 -5.076 1.00 0.00 N ATOM 463 CA LYS A 29 186.286 11.477 -5.020 1.00 0.00 C ATOM 464 C LYS A 29 186.801 11.746 -3.610 1.00 0.00 C ATOM 465 O LYS A 29 187.124 12.884 -3.265 1.00 0.00 O ATOM 466 CB LYS A 29 185.492 12.683 -5.526 1.00 0.00 C ATOM 467 CG LYS A 29 184.277 13.014 -4.674 1.00 0.00 C ATOM 468 CD LYS A 29 184.521 14.234 -3.797 1.00 0.00 C ATOM 469 CE LYS A 29 184.207 13.945 -2.338 1.00 0.00 C ATOM 470 NZ LYS A 29 184.658 15.047 -1.444 1.00 0.00 N ATOM 0 H LYS A 29 184.484 10.413 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 29 187.150 11.316 -5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 29 186.149 13.552 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.167 12.490 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 29 183.418 13.196 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 29 184.028 12.158 -4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 29 185.560 14.548 -3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 29 183.905 15.063 -4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 29 183.133 13.798 -2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 29 184.691 13.015 -2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 184.426 14.811 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 185.686 15.171 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 184.177 15.930 -1.711 1.00 0.00 H new ATOM 484 N TRP A 30 186.897 10.696 -2.805 1.00 0.00 N ATOM 485 CA TRP A 30 187.399 10.826 -1.445 1.00 0.00 C ATOM 486 C TRP A 30 188.887 10.492 -1.413 1.00 0.00 C ATOM 487 O TRP A 30 189.543 10.460 -2.453 1.00 0.00 O ATOM 488 CB TRP A 30 186.619 9.906 -0.498 1.00 0.00 C ATOM 489 CG TRP A 30 185.685 10.642 0.417 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.374 10.937 0.180 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.990 11.176 1.713 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.843 11.619 1.247 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.815 11.779 2.200 1.00 0.00 C ATOM 494 CE3 TRP A 30 187.140 11.204 2.510 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.757 12.400 3.446 1.00 0.00 C ATOM 496 CZ3 TRP A 30 187.081 11.821 3.745 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.896 12.411 4.202 1.00 0.00 C ATOM 0 H TRP A 30 186.634 9.747 -3.070 1.00 0.00 H new ATOM 0 HA TRP A 30 187.261 11.854 -1.110 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.047 9.190 -1.089 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.325 9.332 0.102 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.833 10.673 -0.716 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.882 11.952 1.319 1.00 0.00 H new ATOM 0 HE3 TRP A 30 188.058 10.751 2.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.845 12.856 3.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.963 11.849 4.368 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.882 12.885 5.172 1.00 0.00 H new ATOM 508 N GLN A 31 189.417 10.232 -0.225 1.00 0.00 N ATOM 509 CA GLN A 31 190.826 9.889 -0.077 1.00 0.00 C ATOM 510 C GLN A 31 191.033 8.387 -0.239 1.00 0.00 C ATOM 511 O GLN A 31 191.809 7.774 0.493 1.00 0.00 O ATOM 512 CB GLN A 31 191.334 10.335 1.290 1.00 0.00 C ATOM 513 CG GLN A 31 192.849 10.314 1.419 1.00 0.00 C ATOM 514 CD GLN A 31 193.545 11.055 0.293 1.00 0.00 C ATOM 515 OE1 GLN A 31 193.217 12.203 -0.005 1.00 0.00 O ATOM 516 NE2 GLN A 31 194.511 10.399 -0.338 1.00 0.00 N ATOM 0 H GLN A 31 188.893 10.252 0.650 1.00 0.00 H new ATOM 0 HA GLN A 31 191.388 10.406 -0.855 1.00 0.00 H new ATOM 0 HB2 GLN A 31 190.976 11.345 1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 31 190.905 9.689 2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 31 193.134 10.760 2.372 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.193 9.280 1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 31 194.749 9.448 -0.057 1.00 0.00 H new ATOM 0 HE22 GLN A 31 195.015 10.846 -1.104 1.00 0.00 H new ATOM 525 N THR A 32 190.324 7.800 -1.195 1.00 0.00 N ATOM 526 CA THR A 32 190.423 6.367 -1.447 1.00 0.00 C ATOM 527 C THR A 32 189.977 6.030 -2.869 1.00 0.00 C ATOM 528 O THR A 32 189.329 6.841 -3.534 1.00 0.00 O ATOM 529 CB THR A 32 189.579 5.600 -0.425 1.00 0.00 C ATOM 530 OG1 THR A 32 189.457 4.238 -0.787 1.00 0.00 O ATOM 531 CG2 THR A 32 188.183 6.161 -0.260 1.00 0.00 C ATOM 0 H THR A 32 189.675 8.293 -1.808 1.00 0.00 H new ATOM 0 HA THR A 32 191.466 6.068 -1.343 1.00 0.00 H new ATOM 0 HB THR A 32 190.110 5.706 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 32 188.836 4.154 -1.540 1.00 0.00 H new ATOM 0 HG21 THR A 32 187.639 5.572 0.478 1.00 0.00 H new ATOM 0 HG22 THR A 32 188.244 7.196 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 32 187.659 6.120 -1.215 1.00 0.00 H new ATOM 539 N HIS A 33 190.332 4.836 -3.332 1.00 0.00 N ATOM 540 CA HIS A 33 189.975 4.396 -4.679 1.00 0.00 C ATOM 541 C HIS A 33 188.821 3.397 -4.649 1.00 0.00 C ATOM 542 O HIS A 33 188.034 3.315 -5.592 1.00 0.00 O ATOM 543 CB HIS A 33 191.186 3.764 -5.367 1.00 0.00 C ATOM 544 CG HIS A 33 192.439 4.578 -5.251 1.00 0.00 C ATOM 545 ND1 HIS A 33 193.264 4.843 -6.324 1.00 0.00 N ATOM 546 CD2 HIS A 33 193.009 5.185 -4.182 1.00 0.00 C ATOM 547 CE1 HIS A 33 194.286 5.576 -5.921 1.00 0.00 C ATOM 548 NE2 HIS A 33 194.155 5.796 -4.625 1.00 0.00 N ATOM 0 H HIS A 33 190.867 4.154 -2.795 1.00 0.00 H new ATOM 0 HA HIS A 33 189.654 5.273 -5.241 1.00 0.00 H new ATOM 0 HB2 HIS A 33 191.363 2.778 -4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 33 190.956 3.615 -6.422 1.00 0.00 H new ATOM 0 HD2 HIS A 33 192.632 5.187 -3.170 1.00 0.00 H new ATOM 0 HE1 HIS A 33 195.092 5.934 -6.545 1.00 0.00 H new ATOM 0 HE2 HIS A 33 194.801 6.333 -4.047 1.00 0.00 H new ATOM 557 N LEU A 34 188.730 2.634 -3.564 1.00 0.00 N ATOM 558 CA LEU A 34 187.678 1.633 -3.410 1.00 0.00 C ATOM 559 C LEU A 34 187.811 0.540 -4.461 1.00 0.00 C ATOM 560 O LEU A 34 187.929 0.820 -5.654 1.00 0.00 O ATOM 561 CB LEU A 34 186.289 2.270 -3.521 1.00 0.00 C ATOM 562 CG LEU A 34 185.996 3.409 -2.544 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.430 3.049 -1.130 1.00 0.00 C ATOM 564 CD2 LEU A 34 186.677 4.683 -3.010 1.00 0.00 C ATOM 0 H LEU A 34 189.374 2.690 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 34 187.791 1.195 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.164 2.647 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.541 1.491 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 34 184.919 3.574 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.208 3.879 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 34 185.891 2.161 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.501 2.849 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 34 186.462 5.488 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 34 187.754 4.523 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.304 4.954 -3.998 1.00 0.00 H new ATOM 576 N ILE A 35 187.778 -0.706 -4.010 1.00 0.00 N ATOM 577 CA ILE A 35 187.884 -1.846 -4.917 1.00 0.00 C ATOM 578 C ILE A 35 186.768 -2.859 -4.674 1.00 0.00 C ATOM 579 O ILE A 35 186.064 -3.251 -5.606 1.00 0.00 O ATOM 580 CB ILE A 35 189.253 -2.546 -4.794 1.00 0.00 C ATOM 581 CG1 ILE A 35 189.494 -3.009 -3.352 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.362 -1.609 -5.253 1.00 0.00 C ATOM 583 CD1 ILE A 35 190.929 -3.398 -3.065 1.00 0.00 C ATOM 0 H ILE A 35 187.679 -0.955 -3.026 1.00 0.00 H new ATOM 0 HA ILE A 35 187.785 -1.450 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 35 189.255 -3.427 -5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 35 189.201 -2.210 -2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 35 188.848 -3.861 -3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.324 -2.112 -5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 35 190.195 -1.330 -6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.361 -0.713 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 35 191.019 -3.714 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.222 -4.218 -3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 35 191.580 -2.542 -3.242 1.00 0.00 H new ATOM 595 N ASN A 36 186.609 -3.285 -3.423 1.00 0.00 N ATOM 596 CA ASN A 36 185.580 -4.258 -3.071 1.00 0.00 C ATOM 597 C ASN A 36 184.481 -3.620 -2.222 1.00 0.00 C ATOM 598 O ASN A 36 184.465 -3.768 -1.000 1.00 0.00 O ATOM 599 CB ASN A 36 186.202 -5.432 -2.312 1.00 0.00 C ATOM 600 CG ASN A 36 185.530 -6.751 -2.638 1.00 0.00 C ATOM 601 OD1 ASN A 36 184.579 -6.801 -3.418 1.00 0.00 O ATOM 602 ND2 ASN A 36 186.026 -7.830 -2.042 1.00 0.00 N ATOM 0 H ASN A 36 187.179 -2.972 -2.638 1.00 0.00 H new ATOM 0 HA ASN A 36 185.132 -4.620 -3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.262 -5.498 -2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 36 186.132 -5.247 -1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 36 185.617 -8.747 -2.224 1.00 0.00 H new ATOM 0 HD22 ASN A 36 186.816 -7.742 -1.402 1.00 0.00 H new ATOM 609 N PRO A 37 183.547 -2.898 -2.862 1.00 0.00 N ATOM 610 CA PRO A 37 182.442 -2.236 -2.162 1.00 0.00 C ATOM 611 C PRO A 37 181.302 -3.194 -1.829 1.00 0.00 C ATOM 612 O PRO A 37 180.344 -3.321 -2.592 1.00 0.00 O ATOM 613 CB PRO A 37 181.980 -1.197 -3.177 1.00 0.00 C ATOM 614 CG PRO A 37 182.250 -1.828 -4.498 1.00 0.00 C ATOM 615 CD PRO A 37 183.491 -2.667 -4.319 1.00 0.00 C ATOM 0 HA PRO A 37 182.750 -1.823 -1.201 1.00 0.00 H new ATOM 0 HB2 PRO A 37 180.922 -0.965 -3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 37 182.526 -0.260 -3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.407 -2.442 -4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 37 182.400 -1.071 -5.268 1.00 0.00 H new ATOM 0 HD2 PRO A 37 183.424 -3.604 -4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.380 -2.149 -4.677 1.00 0.00 H new ATOM 623 N HIS A 38 181.405 -3.861 -0.684 1.00 0.00 N ATOM 624 CA HIS A 38 180.374 -4.799 -0.254 1.00 0.00 C ATOM 625 C HIS A 38 179.161 -4.049 0.288 1.00 0.00 C ATOM 626 O HIS A 38 179.299 -2.994 0.908 1.00 0.00 O ATOM 627 CB HIS A 38 180.928 -5.752 0.808 1.00 0.00 C ATOM 628 CG HIS A 38 180.926 -7.185 0.378 1.00 0.00 C ATOM 629 ND1 HIS A 38 182.080 -7.915 0.182 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.901 -8.026 0.106 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.765 -9.141 -0.193 1.00 0.00 C ATOM 632 NE2 HIS A 38 180.449 -9.235 -0.245 1.00 0.00 N ATOM 0 H HIS A 38 182.190 -3.770 -0.039 1.00 0.00 H new ATOM 0 HA HIS A 38 180.061 -5.385 -1.118 1.00 0.00 H new ATOM 0 HB2 HIS A 38 181.947 -5.456 1.055 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.337 -5.653 1.719 1.00 0.00 H new ATOM 0 HD2 HIS A 38 178.848 -7.790 0.156 1.00 0.00 H new ATOM 0 HE1 HIS A 38 182.465 -9.932 -0.419 1.00 0.00 H new ATOM 0 HE2 HIS A 38 179.924 -10.071 -0.504 1.00 0.00 H new ATOM 641 N ILE A 39 177.974 -4.591 0.042 1.00 0.00 N ATOM 642 CA ILE A 39 176.740 -3.963 0.500 1.00 0.00 C ATOM 643 C ILE A 39 175.726 -5.004 0.967 1.00 0.00 C ATOM 644 O ILE A 39 175.113 -5.697 0.157 1.00 0.00 O ATOM 645 CB ILE A 39 176.111 -3.104 -0.617 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.116 -2.062 -1.113 1.00 0.00 C ATOM 647 CG2 ILE A 39 174.841 -2.426 -0.123 1.00 0.00 C ATOM 648 CD1 ILE A 39 177.480 -1.028 -0.069 1.00 0.00 C ATOM 0 H ILE A 39 177.840 -5.462 -0.471 1.00 0.00 H new ATOM 0 HA ILE A 39 177.000 -3.323 1.343 1.00 0.00 H new ATOM 0 HB ILE A 39 175.847 -3.758 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.023 -2.571 -1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 39 176.702 -1.556 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.413 -1.825 -0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.121 -3.184 0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.078 -1.783 0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 39 178.196 -0.322 -0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 39 176.583 -0.493 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 39 177.924 -1.523 0.794 1.00 0.00 H new ATOM 660 N ILE A 40 175.547 -5.102 2.278 1.00 0.00 N ATOM 661 CA ILE A 40 174.604 -6.055 2.848 1.00 0.00 C ATOM 662 C ILE A 40 173.347 -5.348 3.347 1.00 0.00 C ATOM 663 O ILE A 40 173.313 -4.847 4.469 1.00 0.00 O ATOM 664 CB ILE A 40 175.234 -6.842 4.012 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.600 -7.400 3.603 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.309 -7.964 4.459 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.292 -8.175 4.703 1.00 0.00 C ATOM 0 H ILE A 40 176.042 -4.534 2.966 1.00 0.00 H new ATOM 0 HA ILE A 40 174.337 -6.752 2.053 1.00 0.00 H new ATOM 0 HB ILE A 40 175.378 -6.162 4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.473 -8.050 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 40 177.242 -6.576 3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.770 -8.510 5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.360 -7.543 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 40 174.134 -8.645 3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.253 -8.540 4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.451 -7.524 5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 40 176.671 -9.020 4.999 1.00 0.00 H new ATOM 679 N LEU A 41 172.314 -5.308 2.508 1.00 0.00 N ATOM 680 CA LEU A 41 171.062 -4.657 2.875 1.00 0.00 C ATOM 681 C LEU A 41 169.992 -5.690 3.225 1.00 0.00 C ATOM 682 O LEU A 41 169.367 -6.276 2.343 1.00 0.00 O ATOM 683 CB LEU A 41 170.578 -3.764 1.728 1.00 0.00 C ATOM 684 CG LEU A 41 169.159 -3.213 1.886 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.177 -1.690 1.931 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.266 -3.709 0.757 1.00 0.00 C ATOM 0 H LEU A 41 172.320 -5.717 1.574 1.00 0.00 H new ATOM 0 HA LEU A 41 171.242 -4.041 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.267 -2.926 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.628 -4.333 0.800 1.00 0.00 H new ATOM 0 HG LEU A 41 168.751 -3.576 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.159 -1.317 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.781 -1.358 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.604 -1.304 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.261 -3.308 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.670 -3.377 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.227 -4.798 0.776 1.00 0.00 H new ATOM 698 N SER A 42 169.791 -5.908 4.521 1.00 0.00 N ATOM 699 CA SER A 42 168.799 -6.872 4.987 1.00 0.00 C ATOM 700 C SER A 42 167.646 -6.172 5.698 1.00 0.00 C ATOM 701 O SER A 42 167.862 -5.292 6.531 1.00 0.00 O ATOM 702 CB SER A 42 169.451 -7.887 5.928 1.00 0.00 C ATOM 703 OG SER A 42 170.392 -8.691 5.238 1.00 0.00 O ATOM 0 H SER A 42 170.300 -5.432 5.266 1.00 0.00 H new ATOM 0 HA SER A 42 168.400 -7.393 4.117 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.946 -7.364 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.684 -8.520 6.373 1.00 0.00 H new ATOM 0 HG SER A 42 171.103 -8.964 5.854 1.00 0.00 H new ATOM 709 N LYS A 43 166.423 -6.570 5.368 1.00 0.00 N ATOM 710 CA LYS A 43 165.239 -5.981 5.980 1.00 0.00 C ATOM 711 C LYS A 43 164.906 -6.680 7.295 1.00 0.00 C ATOM 712 O LYS A 43 164.469 -7.830 7.304 1.00 0.00 O ATOM 713 CB LYS A 43 164.044 -6.061 5.026 1.00 0.00 C ATOM 714 CG LYS A 43 162.942 -5.066 5.349 1.00 0.00 C ATOM 715 CD LYS A 43 161.870 -5.685 6.231 1.00 0.00 C ATOM 716 CE LYS A 43 161.121 -4.624 7.021 1.00 0.00 C ATOM 717 NZ LYS A 43 160.385 -3.683 6.132 1.00 0.00 N ATOM 0 H LYS A 43 166.226 -7.297 4.681 1.00 0.00 H new ATOM 0 HA LYS A 43 165.452 -4.932 6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.391 -5.889 4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.632 -7.070 5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.370 -4.198 5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.491 -4.709 4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.167 -6.245 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 43 162.328 -6.397 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 43 160.418 -5.106 7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 43 161.826 -4.065 7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 159.834 -3.018 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 161.064 -3.154 5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 159.742 -4.219 5.515 1.00 0.00 H new ATOM 731 N GLU A 44 165.123 -5.980 8.403 1.00 0.00 N ATOM 732 CA GLU A 44 164.851 -6.539 9.721 1.00 0.00 C ATOM 733 C GLU A 44 163.537 -6.004 10.287 1.00 0.00 C ATOM 734 O GLU A 44 163.161 -4.859 10.036 1.00 0.00 O ATOM 735 CB GLU A 44 165.997 -6.223 10.682 1.00 0.00 C ATOM 736 CG GLU A 44 166.781 -7.451 11.117 1.00 0.00 C ATOM 737 CD GLU A 44 167.039 -7.473 12.611 1.00 0.00 C ATOM 738 OE1 GLU A 44 166.931 -6.404 13.248 1.00 0.00 O ATOM 739 OE2 GLU A 44 167.346 -8.560 13.144 1.00 0.00 O ATOM 0 H GLU A 44 165.486 -5.027 8.414 1.00 0.00 H new ATOM 0 HA GLU A 44 164.764 -7.620 9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 44 166.677 -5.518 10.204 1.00 0.00 H new ATOM 0 HB3 GLU A 44 165.594 -5.728 11.565 1.00 0.00 H new ATOM 0 HG2 GLU A 44 166.232 -8.349 10.833 1.00 0.00 H new ATOM 0 HG3 GLU A 44 167.733 -7.478 10.586 1.00 0.00 H new ATOM 746 N PRO A 45 162.823 -6.834 11.067 1.00 0.00 N ATOM 747 CA PRO A 45 161.552 -6.467 11.682 1.00 0.00 C ATOM 748 C PRO A 45 161.539 -5.044 12.222 1.00 0.00 C ATOM 749 O PRO A 45 160.628 -4.266 11.943 1.00 0.00 O ATOM 750 CB PRO A 45 161.409 -7.457 12.852 1.00 0.00 C ATOM 751 CG PRO A 45 162.582 -8.389 12.771 1.00 0.00 C ATOM 752 CD PRO A 45 163.199 -8.207 11.414 1.00 0.00 C ATOM 0 HA PRO A 45 160.743 -6.509 10.953 1.00 0.00 H new ATOM 0 HB2 PRO A 45 161.398 -6.930 13.806 1.00 0.00 H new ATOM 0 HB3 PRO A 45 160.471 -8.008 12.781 1.00 0.00 H new ATOM 0 HG2 PRO A 45 163.305 -8.167 13.556 1.00 0.00 H new ATOM 0 HG3 PRO A 45 162.264 -9.422 12.914 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.281 -8.335 11.441 1.00 0.00 H new ATOM 0 HD3 PRO A 45 162.811 -8.927 10.693 1.00 0.00 H new ATOM 760 N GLN A 46 162.541 -4.729 13.027 1.00 0.00 N ATOM 761 CA GLN A 46 162.636 -3.419 13.649 1.00 0.00 C ATOM 762 C GLN A 46 163.647 -2.509 12.951 1.00 0.00 C ATOM 763 O GLN A 46 164.499 -1.905 13.604 1.00 0.00 O ATOM 764 CB GLN A 46 163.012 -3.598 15.118 1.00 0.00 C ATOM 765 CG GLN A 46 162.286 -2.648 16.057 1.00 0.00 C ATOM 766 CD GLN A 46 161.613 -3.368 17.209 1.00 0.00 C ATOM 767 OE1 GLN A 46 161.728 -2.958 18.365 1.00 0.00 O ATOM 768 NE2 GLN A 46 160.908 -4.450 16.901 1.00 0.00 N ATOM 0 H GLN A 46 163.302 -5.365 13.265 1.00 0.00 H new ATOM 0 HA GLN A 46 161.665 -2.931 13.560 1.00 0.00 H new ATOM 0 HB2 GLN A 46 162.797 -4.624 15.416 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.087 -3.453 15.229 1.00 0.00 H new ATOM 0 HG2 GLN A 46 162.996 -1.921 16.452 1.00 0.00 H new ATOM 0 HG3 GLN A 46 161.537 -2.089 15.495 1.00 0.00 H new ATOM 0 HE21 GLN A 46 160.839 -4.754 15.930 1.00 0.00 H new ATOM 0 HE22 GLN A 46 160.435 -4.977 17.635 1.00 0.00 H new ATOM 777 N GLY A 47 163.538 -2.389 11.629 1.00 0.00 N ATOM 778 CA GLY A 47 164.445 -1.519 10.898 1.00 0.00 C ATOM 779 C GLY A 47 165.246 -2.226 9.821 1.00 0.00 C ATOM 780 O GLY A 47 165.308 -3.455 9.780 1.00 0.00 O ATOM 0 H GLY A 47 162.846 -2.873 11.057 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.870 -0.715 10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.134 -1.055 11.603 1.00 0.00 H new ATOM 784 N PHE A 48 165.869 -1.434 8.949 1.00 0.00 N ATOM 785 CA PHE A 48 166.687 -1.962 7.862 1.00 0.00 C ATOM 786 C PHE A 48 168.129 -2.151 8.324 1.00 0.00 C ATOM 787 O PHE A 48 168.685 -1.292 9.011 1.00 0.00 O ATOM 788 CB PHE A 48 166.653 -1.005 6.663 1.00 0.00 C ATOM 789 CG PHE A 48 165.994 -1.566 5.436 1.00 0.00 C ATOM 790 CD1 PHE A 48 166.169 -2.891 5.071 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.200 -0.756 4.640 1.00 0.00 C ATOM 792 CE1 PHE A 48 165.562 -3.398 3.936 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.590 -1.255 3.506 1.00 0.00 C ATOM 794 CZ PHE A 48 164.772 -2.578 3.153 1.00 0.00 C ATOM 0 H PHE A 48 165.821 -0.416 8.977 1.00 0.00 H new ATOM 0 HA PHE A 48 166.281 -2.928 7.563 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.131 -0.094 6.956 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.675 -0.720 6.413 1.00 0.00 H new ATOM 0 HD1 PHE A 48 166.786 -3.535 5.679 1.00 0.00 H new ATOM 0 HD2 PHE A 48 165.056 0.280 4.910 1.00 0.00 H new ATOM 0 HE1 PHE A 48 165.705 -4.433 3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 48 163.972 -0.612 2.897 1.00 0.00 H new ATOM 0 HZ PHE A 48 164.297 -2.971 2.266 1.00 0.00 H new ATOM 804 N VAL A 49 168.731 -3.275 7.941 1.00 0.00 N ATOM 805 CA VAL A 49 170.110 -3.571 8.313 1.00 0.00 C ATOM 806 C VAL A 49 171.028 -3.501 7.097 1.00 0.00 C ATOM 807 O VAL A 49 171.182 -4.480 6.365 1.00 0.00 O ATOM 808 CB VAL A 49 170.243 -4.966 8.957 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.609 -5.125 9.611 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.132 -5.200 9.969 1.00 0.00 C ATOM 0 H VAL A 49 168.284 -3.995 7.373 1.00 0.00 H new ATOM 0 HA VAL A 49 170.406 -2.817 9.043 1.00 0.00 H new ATOM 0 HB VAL A 49 170.150 -5.716 8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.684 -6.115 10.060 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.389 -5.008 8.858 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.733 -4.366 10.383 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.245 -6.190 10.411 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.188 -4.444 10.752 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.165 -5.134 9.470 1.00 0.00 H new ATOM 820 N ALA A 50 171.630 -2.339 6.886 1.00 0.00 N ATOM 821 CA ALA A 50 172.532 -2.138 5.758 1.00 0.00 C ATOM 822 C ALA A 50 173.990 -2.208 6.198 1.00 0.00 C ATOM 823 O ALA A 50 174.592 -1.194 6.545 1.00 0.00 O ATOM 824 CB ALA A 50 172.245 -0.804 5.086 1.00 0.00 C ATOM 0 H ALA A 50 171.511 -1.519 7.481 1.00 0.00 H new ATOM 0 HA ALA A 50 172.360 -2.940 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 50 172.925 -0.666 4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.216 -0.792 4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.388 0.003 5.804 1.00 0.00 H new ATOM 830 N ASP A 51 174.551 -3.412 6.179 1.00 0.00 N ATOM 831 CA ASP A 51 175.940 -3.615 6.576 1.00 0.00 C ATOM 832 C ASP A 51 176.858 -3.610 5.357 1.00 0.00 C ATOM 833 O ASP A 51 177.089 -4.648 4.738 1.00 0.00 O ATOM 834 CB ASP A 51 176.087 -4.932 7.340 1.00 0.00 C ATOM 835 CG ASP A 51 176.505 -4.722 8.783 1.00 0.00 C ATOM 836 OD1 ASP A 51 176.218 -3.638 9.333 1.00 0.00 O ATOM 837 OD2 ASP A 51 177.122 -5.641 9.362 1.00 0.00 O ATOM 0 H ASP A 51 174.066 -4.262 5.893 1.00 0.00 H new ATOM 0 HA ASP A 51 176.231 -2.793 7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.140 -5.471 7.314 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.825 -5.559 6.839 1.00 0.00 H new ATOM 842 N ALA A 52 177.377 -2.434 5.021 1.00 0.00 N ATOM 843 CA ALA A 52 178.269 -2.290 3.878 1.00 0.00 C ATOM 844 C ALA A 52 179.727 -2.444 4.296 1.00 0.00 C ATOM 845 O ALA A 52 180.078 -2.230 5.456 1.00 0.00 O ATOM 846 CB ALA A 52 178.054 -0.940 3.210 1.00 0.00 C ATOM 0 H ALA A 52 177.195 -1.566 5.525 1.00 0.00 H new ATOM 0 HA ALA A 52 178.036 -3.081 3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.726 -0.845 2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.022 -0.863 2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.260 -0.143 3.925 1.00 0.00 H new ATOM 852 N THR A 53 180.574 -2.815 3.341 1.00 0.00 N ATOM 853 CA THR A 53 181.996 -2.997 3.607 1.00 0.00 C ATOM 854 C THR A 53 182.818 -2.708 2.355 1.00 0.00 C ATOM 855 O THR A 53 182.871 -3.520 1.433 1.00 0.00 O ATOM 856 CB THR A 53 182.272 -4.423 4.098 1.00 0.00 C ATOM 857 OG1 THR A 53 181.064 -5.154 4.229 1.00 0.00 O ATOM 858 CG2 THR A 53 182.978 -4.469 5.437 1.00 0.00 C ATOM 0 H THR A 53 180.300 -2.996 2.375 1.00 0.00 H new ATOM 0 HA THR A 53 182.289 -2.294 4.387 1.00 0.00 H new ATOM 0 HB THR A 53 182.923 -4.865 3.343 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.263 -6.061 4.542 1.00 0.00 H new ATOM 0 HG21 THR A 53 183.143 -5.507 5.726 1.00 0.00 H new ATOM 0 HG22 THR A 53 183.937 -3.957 5.360 1.00 0.00 H new ATOM 0 HG23 THR A 53 182.363 -3.976 6.190 1.00 0.00 H new ATOM 866 N ILE A 54 183.455 -1.542 2.327 1.00 0.00 N ATOM 867 CA ILE A 54 184.269 -1.146 1.185 1.00 0.00 C ATOM 868 C ILE A 54 185.749 -1.386 1.449 1.00 0.00 C ATOM 869 O ILE A 54 186.226 -1.203 2.570 1.00 0.00 O ATOM 870 CB ILE A 54 184.065 0.338 0.831 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.588 0.723 0.955 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.575 0.618 -0.575 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.298 2.155 0.560 1.00 0.00 C ATOM 0 H ILE A 54 183.423 -0.856 3.081 1.00 0.00 H new ATOM 0 HA ILE A 54 183.945 -1.763 0.347 1.00 0.00 H new ATOM 0 HB ILE A 54 184.635 0.945 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 54 181.994 0.056 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.266 0.567 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.425 1.671 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.637 0.381 -0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 54 184.028 0.003 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.233 2.355 0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 54 182.864 2.831 1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.588 2.312 -0.479 1.00 0.00 H new ATOM 885 N ASN A 55 186.471 -1.795 0.414 1.00 0.00 N ATOM 886 CA ASN A 55 187.899 -2.060 0.538 1.00 0.00 C ATOM 887 C ASN A 55 188.723 -0.865 0.066 1.00 0.00 C ATOM 888 O ASN A 55 188.993 -0.715 -1.126 1.00 0.00 O ATOM 889 CB ASN A 55 188.278 -3.311 -0.259 1.00 0.00 C ATOM 890 CG ASN A 55 188.637 -4.482 0.636 1.00 0.00 C ATOM 891 OD1 ASN A 55 187.960 -5.511 0.631 1.00 0.00 O ATOM 892 ND2 ASN A 55 189.707 -4.332 1.408 1.00 0.00 N ATOM 0 H ASN A 55 186.092 -1.950 -0.520 1.00 0.00 H new ATOM 0 HA ASN A 55 188.120 -2.230 1.592 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.446 -3.593 -0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 55 189.123 -3.082 -0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 55 189.997 -5.087 2.029 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.238 -3.462 1.380 1.00 0.00 H new ATOM 899 N THR A 56 189.113 -0.016 1.012 1.00 0.00 N ATOM 900 CA THR A 56 189.908 1.170 0.704 1.00 0.00 C ATOM 901 C THR A 56 191.398 0.873 0.873 1.00 0.00 C ATOM 902 O THR A 56 191.767 -0.105 1.524 1.00 0.00 O ATOM 903 CB THR A 56 189.499 2.327 1.621 1.00 0.00 C ATOM 904 OG1 THR A 56 190.093 2.191 2.899 1.00 0.00 O ATOM 905 CG2 THR A 56 188.003 2.437 1.818 1.00 0.00 C ATOM 0 H THR A 56 188.891 -0.127 2.001 1.00 0.00 H new ATOM 0 HA THR A 56 189.724 1.453 -0.332 1.00 0.00 H new ATOM 0 HB THR A 56 189.849 3.229 1.118 1.00 0.00 H new ATOM 0 HG1 THR A 56 189.742 1.389 3.339 1.00 0.00 H new ATOM 0 HG21 THR A 56 187.784 3.277 2.478 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.520 2.597 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 56 187.626 1.517 2.264 1.00 0.00 H new ATOM 913 N PRO A 57 192.281 1.712 0.298 1.00 0.00 N ATOM 914 CA PRO A 57 193.728 1.518 0.410 1.00 0.00 C ATOM 915 C PRO A 57 194.230 1.759 1.830 1.00 0.00 C ATOM 916 O PRO A 57 195.367 1.426 2.162 1.00 0.00 O ATOM 917 CB PRO A 57 194.309 2.554 -0.553 1.00 0.00 C ATOM 918 CG PRO A 57 193.262 3.607 -0.665 1.00 0.00 C ATOM 919 CD PRO A 57 191.940 2.911 -0.489 1.00 0.00 C ATOM 0 HA PRO A 57 194.023 0.496 0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.244 2.966 -0.172 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.528 2.111 -1.524 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.401 4.375 0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.313 4.104 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.221 3.542 0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.495 2.648 -1.448 1.00 0.00 H new ATOM 927 N ASN A 58 193.370 2.333 2.668 1.00 0.00 N ATOM 928 CA ASN A 58 193.722 2.609 4.057 1.00 0.00 C ATOM 929 C ASN A 58 192.943 1.693 4.997 1.00 0.00 C ATOM 930 O ASN A 58 192.754 2.011 6.172 1.00 0.00 O ATOM 931 CB ASN A 58 193.449 4.079 4.416 1.00 0.00 C ATOM 932 CG ASN A 58 192.627 4.806 3.367 1.00 0.00 C ATOM 933 OD1 ASN A 58 193.065 4.980 2.230 1.00 0.00 O ATOM 934 ND2 ASN A 58 191.429 5.234 3.747 1.00 0.00 N ATOM 0 H ASN A 58 192.425 2.616 2.409 1.00 0.00 H new ATOM 0 HA ASN A 58 194.789 2.418 4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 58 192.927 4.122 5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 58 194.399 4.597 4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 58 190.831 5.729 3.086 1.00 0.00 H new ATOM 0 HD22 ASN A 58 191.107 5.067 4.700 1.00 0.00 H new ATOM 941 N GLY A 59 192.491 0.557 4.473 1.00 0.00 N ATOM 942 CA GLY A 59 191.736 -0.385 5.281 1.00 0.00 C ATOM 943 C GLY A 59 190.335 -0.614 4.748 1.00 0.00 C ATOM 944 O GLY A 59 189.999 -0.171 3.652 1.00 0.00 O ATOM 0 H GLY A 59 192.634 0.272 3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.268 -1.336 5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.676 -0.015 6.304 1.00 0.00 H new ATOM 948 N VAL A 60 189.513 -1.309 5.531 1.00 0.00 N ATOM 949 CA VAL A 60 188.140 -1.596 5.134 1.00 0.00 C ATOM 950 C VAL A 60 187.156 -0.745 5.932 1.00 0.00 C ATOM 951 O VAL A 60 187.174 -0.746 7.163 1.00 0.00 O ATOM 952 CB VAL A 60 187.803 -3.089 5.335 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.354 -3.374 4.968 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.749 -3.959 4.521 1.00 0.00 C ATOM 0 H VAL A 60 189.775 -1.683 6.443 1.00 0.00 H new ATOM 0 HA VAL A 60 188.050 -1.353 4.075 1.00 0.00 H new ATOM 0 HB VAL A 60 187.933 -3.331 6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.142 -4.433 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.695 -2.779 5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.186 -3.115 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.499 -5.009 4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 60 188.652 -3.712 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.775 -3.780 4.842 1.00 0.00 H new ATOM 964 N LEU A 61 186.302 -0.017 5.222 1.00 0.00 N ATOM 965 CA LEU A 61 185.314 0.840 5.866 1.00 0.00 C ATOM 966 C LEU A 61 183.952 0.156 5.927 1.00 0.00 C ATOM 967 O LEU A 61 183.323 -0.091 4.898 1.00 0.00 O ATOM 968 CB LEU A 61 185.195 2.170 5.118 1.00 0.00 C ATOM 969 CG LEU A 61 186.122 3.279 5.623 1.00 0.00 C ATOM 970 CD1 LEU A 61 187.325 3.434 4.704 1.00 0.00 C ATOM 971 CD2 LEU A 61 185.369 4.596 5.743 1.00 0.00 C ATOM 0 H LEU A 61 186.274 -0.003 4.202 1.00 0.00 H new ATOM 0 HA LEU A 61 185.649 1.032 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.402 1.996 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.164 2.518 5.187 1.00 0.00 H new ATOM 0 HG LEU A 61 186.481 2.998 6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 61 187.971 4.227 5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 61 187.881 2.497 4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 61 186.985 3.689 3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 61 186.046 5.371 6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 61 184.978 4.882 4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 61 184.543 4.480 6.445 1.00 0.00 H new ATOM 983 N VAL A 62 183.500 -0.145 7.140 1.00 0.00 N ATOM 984 CA VAL A 62 182.212 -0.796 7.331 1.00 0.00 C ATOM 985 C VAL A 62 181.104 0.237 7.512 1.00 0.00 C ATOM 986 O VAL A 62 180.926 0.791 8.597 1.00 0.00 O ATOM 987 CB VAL A 62 182.236 -1.739 8.552 1.00 0.00 C ATOM 988 CG1 VAL A 62 182.626 -0.975 9.809 1.00 0.00 C ATOM 989 CG2 VAL A 62 180.889 -2.430 8.728 1.00 0.00 C ATOM 0 H VAL A 62 184.007 0.052 8.003 1.00 0.00 H new ATOM 0 HA VAL A 62 182.012 -1.386 6.436 1.00 0.00 H new ATOM 0 HB VAL A 62 182.987 -2.509 8.377 1.00 0.00 H new ATOM 0 HG11 VAL A 62 182.638 -1.656 10.660 1.00 0.00 H new ATOM 0 HG12 VAL A 62 183.617 -0.541 9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 62 181.903 -0.180 9.991 1.00 0.00 H new ATOM 0 HG21 VAL A 62 180.929 -3.090 9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 62 180.112 -1.680 8.878 1.00 0.00 H new ATOM 0 HG23 VAL A 62 180.661 -3.015 7.837 1.00 0.00 H new ATOM 999 N ALA A 63 180.363 0.493 6.439 1.00 0.00 N ATOM 1000 CA ALA A 63 179.274 1.462 6.475 1.00 0.00 C ATOM 1001 C ALA A 63 177.957 0.795 6.860 1.00 0.00 C ATOM 1002 O ALA A 63 177.214 0.323 6.000 1.00 0.00 O ATOM 1003 CB ALA A 63 179.144 2.152 5.126 1.00 0.00 C ATOM 0 H ALA A 63 180.497 0.043 5.534 1.00 0.00 H new ATOM 0 HA ALA A 63 179.507 2.208 7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.328 2.874 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 63 180.075 2.668 4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.936 1.409 4.356 1.00 0.00 H new ATOM 1009 N SER A 64 177.678 0.759 8.159 1.00 0.00 N ATOM 1010 CA SER A 64 176.451 0.149 8.659 1.00 0.00 C ATOM 1011 C SER A 64 175.316 1.165 8.714 1.00 0.00 C ATOM 1012 O SER A 64 175.279 2.026 9.593 1.00 0.00 O ATOM 1013 CB SER A 64 176.681 -0.449 10.047 1.00 0.00 C ATOM 1014 OG SER A 64 178.008 -0.925 10.185 1.00 0.00 O ATOM 0 H SER A 64 178.284 1.144 8.884 1.00 0.00 H new ATOM 0 HA SER A 64 176.168 -0.646 7.970 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.481 0.305 10.809 1.00 0.00 H new ATOM 0 HB3 SER A 64 175.979 -1.266 10.215 1.00 0.00 H new ATOM 0 HG SER A 64 178.129 -1.301 11.082 1.00 0.00 H new ATOM 1020 N GLY A 65 174.390 1.054 7.770 1.00 0.00 N ATOM 1021 CA GLY A 65 173.262 1.964 7.725 1.00 0.00 C ATOM 1022 C GLY A 65 171.996 1.337 8.272 1.00 0.00 C ATOM 1023 O GLY A 65 171.283 0.633 7.556 1.00 0.00 O ATOM 0 H GLY A 65 174.400 0.349 7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.498 2.860 8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 65 173.093 2.279 6.695 1.00 0.00 H new ATOM 1027 N LYS A 66 171.719 1.586 9.547 1.00 0.00 N ATOM 1028 CA LYS A 66 170.531 1.037 10.192 1.00 0.00 C ATOM 1029 C LYS A 66 169.456 2.106 10.359 1.00 0.00 C ATOM 1030 O LYS A 66 169.713 3.178 10.906 1.00 0.00 O ATOM 1031 CB LYS A 66 170.888 0.438 11.556 1.00 0.00 C ATOM 1032 CG LYS A 66 171.948 1.223 12.313 1.00 0.00 C ATOM 1033 CD LYS A 66 172.224 0.614 13.679 1.00 0.00 C ATOM 1034 CE LYS A 66 173.610 0.984 14.184 1.00 0.00 C ATOM 1035 NZ LYS A 66 174.104 0.019 15.204 1.00 0.00 N ATOM 0 H LYS A 66 172.300 2.164 10.154 1.00 0.00 H new ATOM 0 HA LYS A 66 170.137 0.248 9.551 1.00 0.00 H new ATOM 0 HB2 LYS A 66 169.986 0.383 12.165 1.00 0.00 H new ATOM 0 HB3 LYS A 66 171.239 -0.584 11.413 1.00 0.00 H new ATOM 0 HG2 LYS A 66 172.869 1.246 11.731 1.00 0.00 H new ATOM 0 HG3 LYS A 66 171.621 2.256 12.433 1.00 0.00 H new ATOM 0 HD2 LYS A 66 171.473 0.957 14.390 1.00 0.00 H new ATOM 0 HD3 LYS A 66 172.135 -0.471 13.620 1.00 0.00 H new ATOM 0 HE2 LYS A 66 174.306 1.014 13.346 1.00 0.00 H new ATOM 0 HE3 LYS A 66 173.585 1.985 14.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 175.051 0.306 15.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 173.454 0.008 16.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 174.153 -0.932 14.787 1.00 0.00 H new ATOM 1049 N HIS A 67 168.251 1.807 9.881 1.00 0.00 N ATOM 1050 CA HIS A 67 167.135 2.745 9.978 1.00 0.00 C ATOM 1051 C HIS A 67 165.871 2.152 9.366 1.00 0.00 C ATOM 1052 O HIS A 67 165.936 1.396 8.399 1.00 0.00 O ATOM 1053 CB HIS A 67 167.485 4.061 9.278 1.00 0.00 C ATOM 1054 CG HIS A 67 166.918 5.269 9.957 1.00 0.00 C ATOM 1055 ND1 HIS A 67 167.697 6.201 10.611 1.00 0.00 N ATOM 1056 CD2 HIS A 67 165.640 5.696 10.082 1.00 0.00 C ATOM 1057 CE1 HIS A 67 166.922 7.148 11.108 1.00 0.00 C ATOM 1058 NE2 HIS A 67 165.669 6.865 10.801 1.00 0.00 N ATOM 0 H HIS A 67 168.022 0.925 9.423 1.00 0.00 H new ATOM 0 HA HIS A 67 166.949 2.941 11.034 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.569 4.159 9.227 1.00 0.00 H new ATOM 0 HB3 HIS A 67 167.119 4.026 8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 67 164.760 5.208 9.689 1.00 0.00 H new ATOM 0 HE1 HIS A 67 167.256 8.008 11.670 1.00 0.00 H new ATOM 0 HE2 HIS A 67 164.855 7.424 11.057 1.00 0.00 H new ATOM 1067 N GLU A 68 164.721 2.496 9.937 1.00 0.00 N ATOM 1068 CA GLU A 68 163.441 1.993 9.446 1.00 0.00 C ATOM 1069 C GLU A 68 163.247 2.326 7.970 1.00 0.00 C ATOM 1070 O GLU A 68 162.852 1.469 7.178 1.00 0.00 O ATOM 1071 CB GLU A 68 162.290 2.575 10.267 1.00 0.00 C ATOM 1072 CG GLU A 68 160.960 1.881 10.025 1.00 0.00 C ATOM 1073 CD GLU A 68 160.745 0.691 10.941 1.00 0.00 C ATOM 1074 OE1 GLU A 68 161.511 0.548 11.918 1.00 0.00 O ATOM 1075 OE2 GLU A 68 159.812 -0.098 10.683 1.00 0.00 O ATOM 0 H GLU A 68 164.648 3.121 10.740 1.00 0.00 H new ATOM 0 HA GLU A 68 163.445 0.908 9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 68 162.539 2.507 11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 68 162.186 3.634 10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 68 160.150 2.596 10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.911 1.549 8.988 1.00 0.00 H new ATOM 1082 N ASP A 69 163.525 3.571 7.607 1.00 0.00 N ATOM 1083 CA ASP A 69 163.379 4.016 6.226 1.00 0.00 C ATOM 1084 C ASP A 69 164.512 3.475 5.361 1.00 0.00 C ATOM 1085 O ASP A 69 165.660 3.399 5.800 1.00 0.00 O ATOM 1086 CB ASP A 69 163.351 5.543 6.160 1.00 0.00 C ATOM 1087 CG ASP A 69 161.941 6.091 6.059 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.013 5.444 6.588 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.765 7.169 5.453 1.00 0.00 O ATOM 0 H ASP A 69 163.853 4.292 8.250 1.00 0.00 H new ATOM 0 HA ASP A 69 162.436 3.628 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.834 5.951 7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.931 5.878 5.300 1.00 0.00 H new ATOM 1094 N MET A 70 164.183 3.095 4.132 1.00 0.00 N ATOM 1095 CA MET A 70 165.174 2.556 3.210 1.00 0.00 C ATOM 1096 C MET A 70 166.173 3.629 2.785 1.00 0.00 C ATOM 1097 O MET A 70 167.385 3.430 2.874 1.00 0.00 O ATOM 1098 CB MET A 70 164.487 1.951 1.981 1.00 0.00 C ATOM 1099 CG MET A 70 163.812 2.973 1.080 1.00 0.00 C ATOM 1100 SD MET A 70 162.572 2.234 -0.001 1.00 0.00 S ATOM 1101 CE MET A 70 163.569 1.057 -0.910 1.00 0.00 C ATOM 0 H MET A 70 163.238 3.150 3.752 1.00 0.00 H new ATOM 0 HA MET A 70 165.723 1.770 3.729 1.00 0.00 H new ATOM 0 HB2 MET A 70 165.227 1.402 1.399 1.00 0.00 H new ATOM 0 HB3 MET A 70 163.742 1.228 2.314 1.00 0.00 H new ATOM 0 HG2 MET A 70 163.341 3.740 1.696 1.00 0.00 H new ATOM 0 HG3 MET A 70 164.567 3.471 0.473 1.00 0.00 H new ATOM 0 HE1 MET A 70 163.006 0.689 -1.767 1.00 0.00 H new ATOM 0 HE2 MET A 70 164.481 1.543 -1.257 1.00 0.00 H new ATOM 0 HE3 MET A 70 163.828 0.221 -0.260 1.00 0.00 H new ATOM 1111 N TYR A 71 165.661 4.767 2.330 1.00 0.00 N ATOM 1112 CA TYR A 71 166.517 5.864 1.896 1.00 0.00 C ATOM 1113 C TYR A 71 167.284 6.452 3.070 1.00 0.00 C ATOM 1114 O TYR A 71 168.398 6.951 2.908 1.00 0.00 O ATOM 1115 CB TYR A 71 165.689 6.950 1.204 1.00 0.00 C ATOM 1116 CG TYR A 71 165.242 6.573 -0.195 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.025 5.755 -1.002 1.00 0.00 C ATOM 1118 CD2 TYR A 71 164.035 7.034 -0.706 1.00 0.00 C ATOM 1119 CE1 TYR A 71 165.621 5.409 -2.274 1.00 0.00 C ATOM 1120 CE2 TYR A 71 163.623 6.692 -1.979 1.00 0.00 C ATOM 1121 CZ TYR A 71 164.418 5.879 -2.760 1.00 0.00 C ATOM 1122 OH TYR A 71 164.011 5.537 -4.030 1.00 0.00 O ATOM 0 H TYR A 71 164.661 4.953 2.252 1.00 0.00 H new ATOM 0 HA TYR A 71 167.238 5.467 1.182 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.810 7.167 1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.277 7.867 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.967 5.384 -0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 71 163.409 7.670 -0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.243 4.773 -2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 71 162.682 7.060 -2.362 1.00 0.00 H new ATOM 0 HH TYR A 71 163.142 5.949 -4.217 1.00 0.00 H new ATOM 1132 N THR A 72 166.696 6.377 4.258 1.00 0.00 N ATOM 1133 CA THR A 72 167.348 6.888 5.454 1.00 0.00 C ATOM 1134 C THR A 72 168.518 5.989 5.834 1.00 0.00 C ATOM 1135 O THR A 72 169.508 6.444 6.405 1.00 0.00 O ATOM 1136 CB THR A 72 166.357 6.983 6.614 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.149 7.593 6.191 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.886 7.777 7.788 1.00 0.00 C ATOM 0 H THR A 72 165.775 5.970 4.417 1.00 0.00 H new ATOM 0 HA THR A 72 167.722 7.890 5.242 1.00 0.00 H new ATOM 0 HB THR A 72 166.189 5.956 6.937 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.663 7.933 6.971 1.00 0.00 H new ATOM 0 HG21 THR A 72 166.134 7.806 8.576 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.792 7.305 8.168 1.00 0.00 H new ATOM 0 HG23 THR A 72 167.114 8.793 7.467 1.00 0.00 H new ATOM 1146 N ALA A 73 168.399 4.707 5.495 1.00 0.00 N ATOM 1147 CA ALA A 73 169.447 3.738 5.782 1.00 0.00 C ATOM 1148 C ALA A 73 170.689 4.031 4.946 1.00 0.00 C ATOM 1149 O ALA A 73 171.790 4.162 5.481 1.00 0.00 O ATOM 1150 CB ALA A 73 168.948 2.325 5.522 1.00 0.00 C ATOM 0 H ALA A 73 167.584 4.317 5.020 1.00 0.00 H new ATOM 0 HA ALA A 73 169.716 3.820 6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.743 1.612 5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 73 168.090 2.119 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.653 2.230 4.477 1.00 0.00 H new ATOM 1156 N ILE A 74 170.503 4.140 3.633 1.00 0.00 N ATOM 1157 CA ILE A 74 171.624 4.427 2.733 1.00 0.00 C ATOM 1158 C ILE A 74 172.291 5.745 3.118 1.00 0.00 C ATOM 1159 O ILE A 74 173.507 5.896 2.997 1.00 0.00 O ATOM 1160 CB ILE A 74 171.221 4.499 1.231 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.716 4.271 1.015 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.031 3.497 0.422 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.293 2.818 1.103 1.00 0.00 C ATOM 0 H ILE A 74 169.600 4.036 3.170 1.00 0.00 H new ATOM 0 HA ILE A 74 172.312 3.590 2.849 1.00 0.00 H new ATOM 0 HB ILE A 74 171.443 5.508 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.162 4.846 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.437 4.661 0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.740 3.557 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.093 3.725 0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 74 171.841 2.490 0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.218 2.741 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 74 169.818 2.240 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.539 2.427 2.090 1.00 0.00 H new ATOM 1175 N ASN A 75 171.484 6.695 3.583 1.00 0.00 N ATOM 1176 CA ASN A 75 171.993 8.002 3.988 1.00 0.00 C ATOM 1177 C ASN A 75 172.949 7.873 5.169 1.00 0.00 C ATOM 1178 O ASN A 75 174.133 8.186 5.060 1.00 0.00 O ATOM 1179 CB ASN A 75 170.834 8.932 4.353 1.00 0.00 C ATOM 1180 CG ASN A 75 170.313 9.705 3.156 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.067 10.907 3.239 1.00 0.00 O ATOM 1182 ND2 ASN A 75 170.141 9.014 2.035 1.00 0.00 N ATOM 0 H ASN A 75 170.476 6.584 3.689 1.00 0.00 H new ATOM 0 HA ASN A 75 172.541 8.427 3.147 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.023 8.345 4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.162 9.633 5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 75 169.792 9.480 1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 75 170.358 8.018 2.012 1.00 0.00 H new ATOM 1189 N GLU A 76 172.427 7.406 6.299 1.00 0.00 N ATOM 1190 CA GLU A 76 173.238 7.233 7.500 1.00 0.00 C ATOM 1191 C GLU A 76 174.455 6.355 7.214 1.00 0.00 C ATOM 1192 O GLU A 76 175.477 6.453 7.893 1.00 0.00 O ATOM 1193 CB GLU A 76 172.397 6.614 8.620 1.00 0.00 C ATOM 1194 CG GLU A 76 171.914 7.626 9.645 1.00 0.00 C ATOM 1195 CD GLU A 76 171.636 6.997 10.997 1.00 0.00 C ATOM 1196 OE1 GLU A 76 172.192 5.913 11.272 1.00 0.00 O ATOM 1197 OE2 GLU A 76 170.864 7.588 11.780 1.00 0.00 O ATOM 0 H GLU A 76 171.448 7.141 6.408 1.00 0.00 H new ATOM 0 HA GLU A 76 173.590 8.215 7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.534 6.113 8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.986 5.849 9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 76 172.664 8.409 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 76 171.007 8.105 9.278 1.00 0.00 H new ATOM 1204 N LEU A 77 174.337 5.495 6.205 1.00 0.00 N ATOM 1205 CA LEU A 77 175.424 4.598 5.830 1.00 0.00 C ATOM 1206 C LEU A 77 176.628 5.379 5.307 1.00 0.00 C ATOM 1207 O LEU A 77 177.732 5.267 5.841 1.00 0.00 O ATOM 1208 CB LEU A 77 174.943 3.608 4.768 1.00 0.00 C ATOM 1209 CG LEU A 77 175.987 2.588 4.312 1.00 0.00 C ATOM 1210 CD1 LEU A 77 175.311 1.323 3.809 1.00 0.00 C ATOM 1211 CD2 LEU A 77 176.878 3.185 3.232 1.00 0.00 C ATOM 0 H LEU A 77 173.498 5.401 5.633 1.00 0.00 H new ATOM 0 HA LEU A 77 175.734 4.051 6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 77 174.079 3.071 5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.602 4.169 3.898 1.00 0.00 H new ATOM 0 HG LEU A 77 176.611 2.327 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.069 0.608 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 77 174.715 0.886 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 77 174.663 1.567 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 77 177.615 2.446 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 77 176.268 3.474 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 77 177.389 4.063 3.627 1.00 0.00 H new ATOM 1223 N ILE A 78 176.410 6.166 4.256 1.00 0.00 N ATOM 1224 CA ILE A 78 177.480 6.959 3.658 1.00 0.00 C ATOM 1225 C ILE A 78 178.141 7.868 4.693 1.00 0.00 C ATOM 1226 O ILE A 78 179.356 8.071 4.667 1.00 0.00 O ATOM 1227 CB ILE A 78 176.960 7.808 2.477 1.00 0.00 C ATOM 1228 CG1 ILE A 78 178.088 8.674 1.891 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.773 8.660 2.908 1.00 0.00 C ATOM 1230 CD1 ILE A 78 178.176 10.071 2.477 1.00 0.00 C ATOM 0 H ILE A 78 175.503 6.271 3.802 1.00 0.00 H new ATOM 0 HA ILE A 78 178.224 6.257 3.281 1.00 0.00 H new ATOM 0 HB ILE A 78 176.618 7.134 1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 78 179.039 8.166 2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 78 177.946 8.754 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.422 9.250 2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 78 174.968 8.013 3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 78 176.078 9.327 3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.998 10.612 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 78 177.241 10.602 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 78 178.352 10.005 3.551 1.00 0.00 H new ATOM 1242 N ASN A 79 177.339 8.411 5.604 1.00 0.00 N ATOM 1243 CA ASN A 79 177.857 9.293 6.644 1.00 0.00 C ATOM 1244 C ASN A 79 178.893 8.560 7.496 1.00 0.00 C ATOM 1245 O ASN A 79 179.964 9.097 7.795 1.00 0.00 O ATOM 1246 CB ASN A 79 176.700 9.825 7.509 1.00 0.00 C ATOM 1247 CG ASN A 79 176.860 9.526 8.991 1.00 0.00 C ATOM 1248 OD1 ASN A 79 177.470 10.300 9.729 1.00 0.00 O ATOM 1249 ND2 ASN A 79 176.312 8.399 9.431 1.00 0.00 N ATOM 0 H ASN A 79 176.332 8.256 5.643 1.00 0.00 H new ATOM 0 HA ASN A 79 178.351 10.144 6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 79 176.621 10.903 7.371 1.00 0.00 H new ATOM 0 HB3 ASN A 79 175.765 9.389 7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 79 176.388 8.146 10.416 1.00 0.00 H new ATOM 0 HD22 ASN A 79 175.815 7.787 8.784 1.00 0.00 H new ATOM 1256 N LYS A 80 178.567 7.329 7.877 1.00 0.00 N ATOM 1257 CA LYS A 80 179.467 6.520 8.688 1.00 0.00 C ATOM 1258 C LYS A 80 180.787 6.293 7.960 1.00 0.00 C ATOM 1259 O LYS A 80 181.853 6.276 8.576 1.00 0.00 O ATOM 1260 CB LYS A 80 178.815 5.178 9.033 1.00 0.00 C ATOM 1261 CG LYS A 80 178.752 4.905 10.526 1.00 0.00 C ATOM 1262 CD LYS A 80 179.029 3.444 10.841 1.00 0.00 C ATOM 1263 CE LYS A 80 177.765 2.607 10.746 1.00 0.00 C ATOM 1264 NZ LYS A 80 176.696 3.113 11.651 1.00 0.00 N ATOM 0 H LYS A 80 177.688 6.871 7.637 1.00 0.00 H new ATOM 0 HA LYS A 80 179.670 7.058 9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.805 5.157 8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 80 179.372 4.376 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 80 179.478 5.533 11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 80 177.767 5.179 10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 80 179.777 3.056 10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 80 179.449 3.360 11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 80 177.403 2.611 9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 80 177.995 1.572 10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 176.471 2.388 12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 177.025 3.976 12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 175.844 3.329 11.095 1.00 0.00 H new ATOM 1278 N LEU A 81 180.706 6.128 6.643 1.00 0.00 N ATOM 1279 CA LEU A 81 181.892 5.913 5.825 1.00 0.00 C ATOM 1280 C LEU A 81 182.813 7.124 5.890 1.00 0.00 C ATOM 1281 O LEU A 81 184.037 6.993 5.859 1.00 0.00 O ATOM 1282 CB LEU A 81 181.492 5.639 4.371 1.00 0.00 C ATOM 1283 CG LEU A 81 181.539 4.170 3.950 1.00 0.00 C ATOM 1284 CD1 LEU A 81 180.465 3.876 2.914 1.00 0.00 C ATOM 1285 CD2 LEU A 81 182.915 3.820 3.407 1.00 0.00 C ATOM 0 H LEU A 81 179.830 6.139 6.120 1.00 0.00 H new ATOM 0 HA LEU A 81 182.425 5.046 6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.481 6.014 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 81 182.150 6.210 3.716 1.00 0.00 H new ATOM 0 HG LEU A 81 181.346 3.552 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 81 180.514 2.826 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 81 179.483 4.091 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 81 180.626 4.500 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 81 182.933 2.771 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 81 183.134 4.445 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 81 183.665 3.993 4.179 1.00 0.00 H new ATOM 1297 N GLU A 82 182.213 8.306 5.974 1.00 0.00 N ATOM 1298 CA GLU A 82 182.975 9.546 6.040 1.00 0.00 C ATOM 1299 C GLU A 82 183.820 9.611 7.303 1.00 0.00 C ATOM 1300 O GLU A 82 185.046 9.703 7.234 1.00 0.00 O ATOM 1301 CB GLU A 82 182.037 10.753 5.995 1.00 0.00 C ATOM 1302 CG GLU A 82 181.778 11.271 4.591 1.00 0.00 C ATOM 1303 CD GLU A 82 181.404 12.739 4.573 1.00 0.00 C ATOM 1304 OE1 GLU A 82 182.167 13.554 5.133 1.00 0.00 O ATOM 1305 OE2 GLU A 82 180.347 13.075 3.997 1.00 0.00 O ATOM 0 H GLU A 82 181.201 8.431 5.998 1.00 0.00 H new ATOM 0 HA GLU A 82 183.639 9.568 5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 82 181.086 10.481 6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 82 182.463 11.556 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 82 182.669 11.119 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 82 180.977 10.690 4.135 1.00 0.00 H new ATOM 1312 N ARG A 83 183.161 9.582 8.457 1.00 0.00 N ATOM 1313 CA ARG A 83 183.866 9.658 9.731 1.00 0.00 C ATOM 1314 C ARG A 83 184.935 8.569 9.837 1.00 0.00 C ATOM 1315 O ARG A 83 186.017 8.796 10.383 1.00 0.00 O ATOM 1316 CB ARG A 83 182.872 9.595 10.909 1.00 0.00 C ATOM 1317 CG ARG A 83 182.671 8.213 11.531 1.00 0.00 C ATOM 1318 CD ARG A 83 181.272 7.677 11.271 1.00 0.00 C ATOM 1319 NE ARG A 83 180.526 7.470 12.509 1.00 0.00 N ATOM 1320 CZ ARG A 83 180.718 6.438 13.329 1.00 0.00 C ATOM 1321 NH1 ARG A 83 181.640 5.524 13.050 1.00 0.00 N ATOM 1322 NH2 ARG A 83 179.989 6.322 14.430 1.00 0.00 N ATOM 0 H ARG A 83 182.147 9.507 8.536 1.00 0.00 H new ATOM 0 HA ARG A 83 184.378 10.619 9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 83 183.215 10.277 11.687 1.00 0.00 H new ATOM 0 HB3 ARG A 83 181.905 9.963 10.565 1.00 0.00 H new ATOM 0 HG2 ARG A 83 183.408 7.520 11.124 1.00 0.00 H new ATOM 0 HG3 ARG A 83 182.845 8.269 12.606 1.00 0.00 H new ATOM 0 HD2 ARG A 83 180.729 8.375 10.633 1.00 0.00 H new ATOM 0 HD3 ARG A 83 181.340 6.735 10.727 1.00 0.00 H new ATOM 0 HE ARG A 83 179.815 8.157 12.761 1.00 0.00 H new ATOM 0 HH11 ARG A 83 182.205 5.611 12.205 1.00 0.00 H new ATOM 0 HH12 ARG A 83 181.784 4.735 13.681 1.00 0.00 H new ATOM 0 HH21 ARG A 83 179.281 7.023 14.649 1.00 0.00 H new ATOM 0 HH22 ARG A 83 180.136 5.532 15.058 1.00 0.00 H new ATOM 1336 N GLN A 84 184.626 7.390 9.310 1.00 0.00 N ATOM 1337 CA GLN A 84 185.556 6.270 9.346 1.00 0.00 C ATOM 1338 C GLN A 84 186.730 6.507 8.402 1.00 0.00 C ATOM 1339 O GLN A 84 187.848 6.060 8.662 1.00 0.00 O ATOM 1340 CB GLN A 84 184.839 4.973 8.972 1.00 0.00 C ATOM 1341 CG GLN A 84 183.974 4.410 10.088 1.00 0.00 C ATOM 1342 CD GLN A 84 183.132 3.234 9.635 1.00 0.00 C ATOM 1343 OE1 GLN A 84 183.161 2.164 10.242 1.00 0.00 O ATOM 1344 NE2 GLN A 84 182.375 3.426 8.560 1.00 0.00 N ATOM 0 H GLN A 84 183.738 7.186 8.853 1.00 0.00 H new ATOM 0 HA GLN A 84 185.942 6.183 10.362 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.215 5.152 8.096 1.00 0.00 H new ATOM 0 HB3 GLN A 84 185.581 4.227 8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 84 184.612 4.098 10.915 1.00 0.00 H new ATOM 0 HG3 GLN A 84 183.320 5.195 10.468 1.00 0.00 H new ATOM 0 HE21 GLN A 84 182.381 4.330 8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 84 181.788 2.670 8.208 1.00 0.00 H new ATOM 1353 N LEU A 85 186.469 7.207 7.304 1.00 0.00 N ATOM 1354 CA LEU A 85 187.506 7.497 6.321 1.00 0.00 C ATOM 1355 C LEU A 85 188.577 8.411 6.907 1.00 0.00 C ATOM 1356 O LEU A 85 189.708 7.985 7.141 1.00 0.00 O ATOM 1357 CB LEU A 85 186.890 8.136 5.071 1.00 0.00 C ATOM 1358 CG LEU A 85 187.180 7.399 3.762 1.00 0.00 C ATOM 1359 CD1 LEU A 85 185.909 7.242 2.940 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.247 8.134 2.963 1.00 0.00 C ATOM 0 H LEU A 85 185.550 7.584 7.072 1.00 0.00 H new ATOM 0 HA LEU A 85 187.979 6.556 6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.810 8.196 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 85 187.258 9.159 4.985 1.00 0.00 H new ATOM 0 HG LEU A 85 187.554 6.404 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 85 186.138 6.715 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 85 185.175 6.672 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.502 8.226 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.441 7.596 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.900 9.141 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 85 189.165 8.191 3.548 1.00 0.00 H new ATOM 1372 N ASN A 86 188.218 9.671 7.138 1.00 0.00 N ATOM 1373 CA ASN A 86 189.158 10.644 7.691 1.00 0.00 C ATOM 1374 C ASN A 86 189.889 10.081 8.912 1.00 0.00 C ATOM 1375 O ASN A 86 191.103 10.247 9.048 1.00 0.00 O ATOM 1376 CB ASN A 86 188.442 11.950 8.047 1.00 0.00 C ATOM 1377 CG ASN A 86 187.633 11.838 9.314 1.00 0.00 C ATOM 1378 OD1 ASN A 86 187.914 12.503 10.311 1.00 0.00 O ATOM 1379 ND2 ASN A 86 186.621 10.992 9.278 1.00 0.00 N ATOM 0 H ASN A 86 187.286 10.042 6.952 1.00 0.00 H new ATOM 0 HA ASN A 86 189.903 10.857 6.924 1.00 0.00 H new ATOM 0 HB2 ASN A 86 189.179 12.745 8.159 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.786 12.237 7.225 1.00 0.00 H new ATOM 0 HD21 ASN A 86 186.031 10.867 10.101 1.00 0.00 H new ATOM 0 HD22 ASN A 86 186.428 10.463 8.427 1.00 0.00 H new ATOM 1386 N LYS A 87 189.151 9.410 9.795 1.00 0.00 N ATOM 1387 CA LYS A 87 189.753 8.826 10.992 1.00 0.00 C ATOM 1388 C LYS A 87 190.861 7.849 10.613 1.00 0.00 C ATOM 1389 O LYS A 87 192.035 8.088 10.895 1.00 0.00 O ATOM 1390 CB LYS A 87 188.695 8.112 11.835 1.00 0.00 C ATOM 1391 CG LYS A 87 188.983 8.150 13.328 1.00 0.00 C ATOM 1392 CD LYS A 87 190.164 7.264 13.694 1.00 0.00 C ATOM 1393 CE LYS A 87 189.781 5.793 13.684 1.00 0.00 C ATOM 1394 NZ LYS A 87 189.071 5.396 14.931 1.00 0.00 N ATOM 0 H LYS A 87 188.146 9.258 9.706 1.00 0.00 H new ATOM 0 HA LYS A 87 190.184 9.635 11.582 1.00 0.00 H new ATOM 0 HB2 LYS A 87 187.723 8.570 11.649 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.625 7.073 11.513 1.00 0.00 H new ATOM 0 HG2 LYS A 87 189.189 9.176 13.633 1.00 0.00 H new ATOM 0 HG3 LYS A 87 188.100 7.825 13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 87 190.979 7.434 12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 87 190.533 7.538 14.682 1.00 0.00 H new ATOM 0 HE2 LYS A 87 189.144 5.589 12.823 1.00 0.00 H new ATOM 0 HE3 LYS A 87 190.678 5.185 13.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 188.827 4.386 14.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 189.688 5.566 15.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 188.201 5.958 15.029 1.00 0.00 H new ATOM 1408 N LEU A 88 190.482 6.752 9.965 1.00 0.00 N ATOM 1409 CA LEU A 88 191.448 5.745 9.541 1.00 0.00 C ATOM 1410 C LEU A 88 192.524 6.366 8.654 1.00 0.00 C ATOM 1411 O LEU A 88 193.623 5.827 8.522 1.00 0.00 O ATOM 1412 CB LEU A 88 190.743 4.609 8.791 1.00 0.00 C ATOM 1413 CG LEU A 88 190.933 3.211 9.389 1.00 0.00 C ATOM 1414 CD1 LEU A 88 190.450 2.149 8.414 1.00 0.00 C ATOM 1415 CD2 LEU A 88 192.392 2.976 9.754 1.00 0.00 C ATOM 0 H LEU A 88 189.515 6.538 9.722 1.00 0.00 H new ATOM 0 HA LEU A 88 191.925 5.338 10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 88 189.676 4.828 8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 88 191.102 4.598 7.762 1.00 0.00 H new ATOM 0 HG LEU A 88 190.338 3.143 10.300 1.00 0.00 H new ATOM 0 HD11 LEU A 88 190.591 1.161 8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 88 189.392 2.304 8.202 1.00 0.00 H new ATOM 0 HD13 LEU A 88 191.020 2.220 7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 88 192.505 1.978 10.177 1.00 0.00 H new ATOM 0 HD22 LEU A 88 193.009 3.063 8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 88 192.708 3.718 10.487 1.00 0.00 H new