USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 811 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 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 72 TYR OH : rot -130:sc= -2.87 USER MOD Set 2.1: A 24 THR OG1 : rot -72:sc= -0.76 USER MOD Set 2.2: A 59 HIS : no HD1:sc= -0.857 K(o=-1.6,f=-6.2!) USER MOD Set 3.1: A 12 THR OG1 : rot -40:sc= 1.88 USER MOD Set 3.2: A 19 SER OG : rot 83:sc= 1.1 USER MOD Set 4.1: A 4 MET CE :methyl -147:sc= -4.84 (180deg=-4.1!) USER MOD Set 4.2: A 27 MET CE :methyl 174:sc= -2.34 (180deg=-0.99) USER MOD Set 4.3: A 34 HIS : no HE2:sc= -5.99! C(o=-13!,f=-16!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc=-0.00529 X(o=-0.0053,f=-0.005) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -4.39 K(o=-4.4,f=-1.8) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00109 USER MOD Single : A 18 TYR OH : rot 114:sc= 0.986 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.38) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00936 USER MOD Single : A 39 GLN : amide:sc= -2.97 K(o=-3,f=-1.2!) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.0302 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0096 USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= -0.157 (180deg=-0.816) USER MOD Single : A 50 SER OG : rot -91:sc= 0.441 USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.066) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 56 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.35) USER MOD Single : A 57 ASN : amide:sc= -2.83! C(o=-2.8!,f=-1.7!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -152:sc= -7.97! (180deg=-9.82!) USER MOD Single : A 69 SER OG : rot -19:sc= 0.417 USER MOD Single : A 70 THR OG1 : rot 74:sc= 0.00789 USER MOD Single : A 80 THR OG1 : rot 66:sc= 0.748 USER MOD Single : A 81 SER OG : rot -64:sc= 1.15 USER MOD Single : A 83 THR OG1 : rot -65:sc= 0.269! USER MOD Single : A 85 TYR OH : rot 60:sc= -0.395 USER MOD Single : A 86 ASN : amide:sc= -4.7! K(o=-4.7!,f=0.023) USER MOD Single : A 90 SER OG : rot -80:sc= 1.56 USER MOD Single : A 93 SER OG : rot 80:sc= -0.907 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -158:sc= 0.126 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.721 0.114 -11.202 1.00 0.00 N ATOM 2 CA MET A 1 10.036 0.800 -11.111 1.00 0.00 C ATOM 3 C MET A 1 9.998 2.162 -11.796 1.00 0.00 C ATOM 4 O MET A 1 10.175 2.265 -13.011 1.00 0.00 O ATOM 5 CB MET A 1 11.097 -0.089 -11.761 1.00 0.00 C ATOM 6 CG MET A 1 12.178 -0.550 -10.797 1.00 0.00 C ATOM 7 SD MET A 1 11.942 -2.250 -10.248 1.00 0.00 S ATOM 8 CE MET A 1 12.117 -2.062 -8.477 1.00 0.00 C ATOM 0 H1 MET A 1 8.778 -0.810 -10.727 1.00 0.00 H new ATOM 0 H2 MET A 1 7.993 0.696 -10.741 1.00 0.00 H new ATOM 0 H3 MET A 1 8.471 -0.025 -12.202 1.00 0.00 H new ATOM 0 HA MET A 1 10.278 0.968 -10.062 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.611 -0.963 -12.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.562 0.456 -12.582 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.151 -0.460 -11.279 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.190 0.109 -9.929 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.996 -3.032 -7.994 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.106 -1.664 -8.249 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.356 -1.375 -8.107 1.00 0.00 H new ATOM 20 N ILE A 2 9.766 3.206 -11.008 1.00 0.00 N ATOM 21 CA ILE A 2 9.703 4.563 -11.535 1.00 0.00 C ATOM 22 C ILE A 2 10.879 5.398 -11.037 1.00 0.00 C ATOM 23 O ILE A 2 11.427 5.142 -9.965 1.00 0.00 O ATOM 24 CB ILE A 2 8.387 5.257 -11.135 1.00 0.00 C ATOM 25 CG1 ILE A 2 8.348 6.685 -11.681 1.00 0.00 C ATOM 26 CG2 ILE A 2 8.227 5.257 -9.622 1.00 0.00 C ATOM 27 CD1 ILE A 2 6.951 7.255 -11.780 1.00 0.00 C ATOM 0 H ILE A 2 9.618 3.138 -10.001 1.00 0.00 H new ATOM 0 HA ILE A 2 9.749 4.487 -12.621 1.00 0.00 H new ATOM 0 HB ILE A 2 7.556 4.702 -11.569 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.949 7.328 -11.038 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.809 6.701 -12.669 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.293 5.751 -9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.212 4.230 -9.258 1.00 0.00 H new ATOM 0 HG23 ILE A 2 9.062 5.791 -9.168 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.999 8.270 -12.175 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.351 6.635 -12.446 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.494 7.272 -10.791 1.00 0.00 H new ATOM 39 N GLN A 3 11.262 6.398 -11.825 1.00 0.00 N ATOM 40 CA GLN A 3 12.373 7.272 -11.465 1.00 0.00 C ATOM 41 C GLN A 3 11.903 8.710 -11.265 1.00 0.00 C ATOM 42 O GLN A 3 12.504 9.470 -10.507 1.00 0.00 O ATOM 43 CB GLN A 3 13.459 7.224 -12.542 1.00 0.00 C ATOM 44 CG GLN A 3 12.913 7.223 -13.961 1.00 0.00 C ATOM 45 CD GLN A 3 13.671 8.161 -14.879 1.00 0.00 C ATOM 46 OE1 GLN A 3 14.902 8.199 -14.870 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.937 8.924 -15.681 1.00 0.00 N ATOM 0 H GLN A 3 10.820 6.623 -12.716 1.00 0.00 H new ATOM 0 HA GLN A 3 12.787 6.913 -10.523 1.00 0.00 H new ATOM 0 HB2 GLN A 3 14.120 8.082 -12.417 1.00 0.00 H new ATOM 0 HB3 GLN A 3 14.065 6.330 -12.395 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.959 6.211 -14.363 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.862 7.510 -13.942 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.919 8.860 -15.655 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.391 9.574 -16.323 1.00 0.00 H new ATOM 56 N MET A 4 10.829 9.070 -11.950 1.00 0.00 N ATOM 57 CA MET A 4 10.273 10.416 -11.856 1.00 0.00 C ATOM 58 C MET A 4 8.780 10.373 -11.542 1.00 0.00 C ATOM 59 O MET A 4 8.022 9.657 -12.190 1.00 0.00 O ATOM 60 CB MET A 4 10.499 11.173 -13.165 1.00 0.00 C ATOM 61 CG MET A 4 10.708 12.668 -12.978 1.00 0.00 C ATOM 62 SD MET A 4 10.414 13.607 -14.491 1.00 0.00 S ATOM 63 CE MET A 4 9.946 15.200 -13.817 1.00 0.00 C ATOM 0 H MET A 4 10.322 8.449 -12.580 1.00 0.00 H new ATOM 0 HA MET A 4 10.784 10.933 -11.044 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.369 10.754 -13.671 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.642 11.014 -13.819 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.040 13.029 -12.196 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.727 12.848 -12.636 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.215 15.672 -14.473 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.510 15.063 -12.828 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.828 15.836 -13.739 1.00 0.00 H new ATOM 73 N ALA A 5 8.368 11.156 -10.549 1.00 0.00 N ATOM 74 CA ALA A 5 6.971 11.223 -10.149 1.00 0.00 C ATOM 75 C ALA A 5 6.236 12.293 -10.955 1.00 0.00 C ATOM 76 O ALA A 5 6.490 13.486 -10.789 1.00 0.00 O ATOM 77 CB ALA A 5 6.864 11.510 -8.659 1.00 0.00 C ATOM 0 H ALA A 5 8.989 11.756 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 5 6.503 10.259 -10.351 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.813 11.558 -8.372 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.357 10.715 -8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.344 12.463 -8.437 1.00 0.00 H new ATOM 83 N PRO A 6 5.324 11.882 -11.850 1.00 0.00 N ATOM 84 CA PRO A 6 4.565 12.812 -12.690 1.00 0.00 C ATOM 85 C PRO A 6 3.831 13.869 -11.871 1.00 0.00 C ATOM 86 O PRO A 6 3.652 13.717 -10.663 1.00 0.00 O ATOM 87 CB PRO A 6 3.574 11.904 -13.422 1.00 0.00 C ATOM 88 CG PRO A 6 4.223 10.564 -13.421 1.00 0.00 C ATOM 89 CD PRO A 6 4.970 10.480 -12.122 1.00 0.00 C ATOM 0 HA PRO A 6 5.212 13.379 -13.360 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.610 11.878 -12.914 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.390 12.255 -14.437 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.481 9.769 -13.499 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.898 10.455 -14.270 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.353 10.059 -11.328 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.855 9.850 -12.206 1.00 0.00 H new ATOM 97 N PRO A 7 3.399 14.962 -12.523 1.00 0.00 N ATOM 98 CA PRO A 7 2.683 16.053 -11.855 1.00 0.00 C ATOM 99 C PRO A 7 1.313 15.617 -11.353 1.00 0.00 C ATOM 100 O PRO A 7 0.977 14.433 -11.379 1.00 0.00 O ATOM 101 CB PRO A 7 2.528 17.121 -12.947 1.00 0.00 C ATOM 102 CG PRO A 7 3.455 16.714 -14.044 1.00 0.00 C ATOM 103 CD PRO A 7 3.573 15.221 -13.959 1.00 0.00 C ATOM 0 HA PRO A 7 3.221 16.405 -10.975 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.499 17.171 -13.302 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.782 18.110 -12.566 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.066 17.019 -15.016 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.429 17.189 -13.927 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.810 14.720 -14.556 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.540 14.871 -14.319 1.00 0.00 H new ATOM 111 N SER A 8 0.519 16.586 -10.910 1.00 0.00 N ATOM 112 CA SER A 8 -0.824 16.309 -10.417 1.00 0.00 C ATOM 113 C SER A 8 -1.851 16.621 -11.499 1.00 0.00 C ATOM 114 O SER A 8 -2.160 17.784 -11.756 1.00 0.00 O ATOM 115 CB SER A 8 -1.116 17.136 -9.161 1.00 0.00 C ATOM 116 OG SER A 8 -2.503 17.152 -8.871 1.00 0.00 O ATOM 0 H SER A 8 0.783 17.571 -10.883 1.00 0.00 H new ATOM 0 HA SER A 8 -0.889 15.252 -10.159 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.569 16.722 -8.314 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.759 18.156 -9.303 1.00 0.00 H new ATOM 0 HG SER A 8 -2.662 17.685 -8.064 1.00 0.00 H new ATOM 122 N LEU A 9 -2.367 15.579 -12.142 1.00 0.00 N ATOM 123 CA LEU A 9 -3.345 15.756 -13.209 1.00 0.00 C ATOM 124 C LEU A 9 -4.736 16.015 -12.645 1.00 0.00 C ATOM 125 O LEU A 9 -5.153 15.392 -11.668 1.00 0.00 O ATOM 126 CB LEU A 9 -3.372 14.527 -14.122 1.00 0.00 C ATOM 127 CG LEU A 9 -3.381 14.836 -15.622 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.700 13.585 -16.425 1.00 0.00 C ATOM 129 CD2 LEU A 9 -4.381 15.939 -15.934 1.00 0.00 C ATOM 0 H LEU A 9 -2.126 14.608 -11.944 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.045 16.626 -13.793 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.503 13.908 -13.899 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.255 13.935 -13.883 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.387 15.182 -15.906 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.702 13.826 -17.488 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.946 12.823 -16.227 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.681 13.208 -16.137 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.373 16.145 -17.004 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.379 15.621 -15.633 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.108 16.843 -15.389 1.00 0.00 H new ATOM 141 N ASN A 10 -5.443 16.947 -13.271 1.00 0.00 N ATOM 142 CA ASN A 10 -6.787 17.314 -12.849 1.00 0.00 C ATOM 143 C ASN A 10 -7.610 17.768 -14.055 1.00 0.00 C ATOM 144 O ASN A 10 -7.057 18.108 -15.100 1.00 0.00 O ATOM 145 CB ASN A 10 -6.710 18.424 -11.787 1.00 0.00 C ATOM 146 CG ASN A 10 -8.015 19.180 -11.605 1.00 0.00 C ATOM 147 OD1 ASN A 10 -8.752 18.951 -10.646 1.00 0.00 O ATOM 148 ND2 ASN A 10 -8.302 20.088 -12.531 1.00 0.00 N ATOM 0 H ASN A 10 -5.103 17.466 -14.080 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.279 16.446 -12.410 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.418 17.984 -10.833 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.927 19.129 -12.066 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.164 20.630 -12.464 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.661 20.244 -13.309 1.00 0.00 H new ATOM 155 N VAL A 11 -8.929 17.771 -13.903 1.00 0.00 N ATOM 156 CA VAL A 11 -9.817 18.186 -14.981 1.00 0.00 C ATOM 157 C VAL A 11 -10.578 19.453 -14.609 1.00 0.00 C ATOM 158 O VAL A 11 -11.050 19.597 -13.481 1.00 0.00 O ATOM 159 CB VAL A 11 -10.825 17.078 -15.339 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.698 17.502 -16.512 1.00 0.00 C ATOM 161 CG2 VAL A 11 -10.097 15.780 -15.650 1.00 0.00 C ATOM 0 H VAL A 11 -9.406 17.491 -13.046 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.188 18.386 -15.849 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.473 16.911 -14.479 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.403 16.705 -16.748 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.248 18.406 -16.249 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.070 17.700 -17.380 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.823 15.007 -15.901 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.424 15.933 -16.494 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.521 15.468 -14.779 1.00 0.00 H new ATOM 171 N THR A 12 -10.691 20.368 -15.564 1.00 0.00 N ATOM 172 CA THR A 12 -11.393 21.626 -15.338 1.00 0.00 C ATOM 173 C THR A 12 -12.339 21.937 -16.483 1.00 0.00 C ATOM 174 O THR A 12 -11.930 22.055 -17.639 1.00 0.00 O ATOM 175 CB THR A 12 -10.396 22.770 -15.152 1.00 0.00 C ATOM 176 OG1 THR A 12 -9.596 22.930 -16.311 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.464 22.570 -13.976 1.00 0.00 C ATOM 0 H THR A 12 -10.306 20.263 -16.503 1.00 0.00 H new ATOM 0 HA THR A 12 -11.983 21.521 -14.427 1.00 0.00 H new ATOM 0 HB THR A 12 -11.005 23.655 -14.965 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.351 22.049 -16.664 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.784 23.418 -13.903 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.047 22.492 -13.059 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.889 21.655 -14.119 1.00 0.00 H new ATOM 185 N LYS A 13 -13.609 22.068 -16.140 1.00 0.00 N ATOM 186 CA LYS A 13 -14.646 22.369 -17.122 1.00 0.00 C ATOM 187 C LYS A 13 -15.135 23.806 -16.977 1.00 0.00 C ATOM 188 O LYS A 13 -14.644 24.559 -16.136 1.00 0.00 O ATOM 189 CB LYS A 13 -15.823 21.404 -16.971 1.00 0.00 C ATOM 190 CG LYS A 13 -16.296 21.239 -15.536 1.00 0.00 C ATOM 191 CD LYS A 13 -17.709 20.681 -15.476 1.00 0.00 C ATOM 192 CE LYS A 13 -18.726 21.766 -15.162 1.00 0.00 C ATOM 193 NZ LYS A 13 -19.221 21.678 -13.760 1.00 0.00 N ATOM 0 H LYS A 13 -13.952 21.971 -15.184 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.211 22.249 -18.114 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.654 21.760 -17.580 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.535 20.429 -17.364 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.618 20.573 -15.002 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.262 22.203 -15.028 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.957 20.214 -16.429 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.761 19.902 -14.716 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.275 22.744 -15.326 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.568 21.684 -15.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -19.912 22.436 -13.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.675 20.754 -13.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.422 21.782 -13.103 1.00 0.00 H new ATOM 207 N ASP A 14 -16.107 24.176 -17.804 1.00 0.00 N ATOM 208 CA ASP A 14 -16.670 25.521 -17.774 1.00 0.00 C ATOM 209 C ASP A 14 -18.056 25.539 -18.407 1.00 0.00 C ATOM 210 O ASP A 14 -18.419 26.487 -19.105 1.00 0.00 O ATOM 211 CB ASP A 14 -15.751 26.501 -18.506 1.00 0.00 C ATOM 212 CG ASP A 14 -14.336 26.486 -17.964 1.00 0.00 C ATOM 213 OD1 ASP A 14 -14.145 26.873 -16.791 1.00 0.00 O ATOM 214 OD2 ASP A 14 -13.418 26.089 -18.711 1.00 0.00 O ATOM 0 H ASP A 14 -16.522 23.562 -18.505 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.758 25.829 -16.732 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.733 26.253 -19.567 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -16.158 27.508 -18.421 1.00 0.00 H new ATOM 219 N GLY A 15 -18.826 24.485 -18.160 1.00 0.00 N ATOM 220 CA GLY A 15 -20.163 24.396 -18.716 1.00 0.00 C ATOM 221 C GLY A 15 -20.280 23.352 -19.812 1.00 0.00 C ATOM 222 O GLY A 15 -21.381 23.067 -20.285 1.00 0.00 O ATOM 0 H GLY A 15 -18.548 23.690 -17.584 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.867 24.159 -17.919 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -20.450 25.369 -19.116 1.00 0.00 H new ATOM 226 N ASP A 16 -19.149 22.781 -20.216 1.00 0.00 N ATOM 227 CA ASP A 16 -19.136 21.765 -21.263 1.00 0.00 C ATOM 228 C ASP A 16 -17.707 21.362 -21.613 1.00 0.00 C ATOM 229 O ASP A 16 -17.313 20.211 -21.426 1.00 0.00 O ATOM 230 CB ASP A 16 -19.854 22.279 -22.514 1.00 0.00 C ATOM 231 CG ASP A 16 -20.758 21.231 -23.132 1.00 0.00 C ATOM 232 OD1 ASP A 16 -20.255 20.405 -23.922 1.00 0.00 O ATOM 233 OD2 ASP A 16 -21.970 21.238 -22.829 1.00 0.00 O ATOM 0 H ASP A 16 -18.230 23.005 -19.834 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.661 20.887 -20.887 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.445 23.158 -22.255 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.115 22.597 -23.249 1.00 0.00 H new ATOM 238 N SER A 17 -16.935 22.318 -22.123 1.00 0.00 N ATOM 239 CA SER A 17 -15.549 22.062 -22.498 1.00 0.00 C ATOM 240 C SER A 17 -14.707 21.735 -21.269 1.00 0.00 C ATOM 241 O SER A 17 -14.884 22.333 -20.207 1.00 0.00 O ATOM 242 CB SER A 17 -14.965 23.273 -23.227 1.00 0.00 C ATOM 243 OG SER A 17 -15.901 23.824 -24.137 1.00 0.00 O ATOM 0 H SER A 17 -17.246 23.276 -22.286 1.00 0.00 H new ATOM 0 HA SER A 17 -15.530 21.202 -23.168 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.671 24.031 -22.501 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.063 22.978 -23.763 1.00 0.00 H new ATOM 0 HG SER A 17 -15.502 24.597 -24.588 1.00 0.00 H new ATOM 249 N TYR A 18 -13.792 20.783 -21.420 1.00 0.00 N ATOM 250 CA TYR A 18 -12.925 20.375 -20.319 1.00 0.00 C ATOM 251 C TYR A 18 -11.465 20.695 -20.623 1.00 0.00 C ATOM 252 O TYR A 18 -11.083 20.870 -21.780 1.00 0.00 O ATOM 253 CB TYR A 18 -13.086 18.878 -20.046 1.00 0.00 C ATOM 254 CG TYR A 18 -14.454 18.506 -19.520 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.532 18.359 -20.384 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.668 18.310 -18.162 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.785 18.027 -19.908 1.00 0.00 C ATOM 258 CE2 TYR A 18 -15.918 17.976 -17.678 1.00 0.00 C ATOM 259 CZ TYR A 18 -16.974 17.836 -18.554 1.00 0.00 C ATOM 260 OH TYR A 18 -18.221 17.506 -18.077 1.00 0.00 O ATOM 0 H TYR A 18 -13.631 20.280 -22.293 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.220 20.935 -19.432 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.897 18.326 -20.967 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.331 18.565 -19.326 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.388 18.507 -21.444 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.844 18.420 -17.473 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.613 17.917 -20.592 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -16.068 17.825 -16.619 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.199 16.600 -17.704 1.00 0.00 H new ATOM 270 N SER A 19 -10.651 20.770 -19.573 1.00 0.00 N ATOM 271 CA SER A 19 -9.231 21.068 -19.722 1.00 0.00 C ATOM 272 C SER A 19 -8.434 20.501 -18.552 1.00 0.00 C ATOM 273 O SER A 19 -8.938 20.414 -17.430 1.00 0.00 O ATOM 274 CB SER A 19 -9.014 22.580 -19.820 1.00 0.00 C ATOM 275 OG SER A 19 -9.885 23.278 -18.947 1.00 0.00 O ATOM 0 H SER A 19 -10.952 20.628 -18.609 1.00 0.00 H new ATOM 0 HA SER A 19 -8.878 20.599 -20.640 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.979 22.819 -19.574 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.182 22.909 -20.846 1.00 0.00 H new ATOM 0 HG SER A 19 -9.502 23.291 -18.045 1.00 0.00 H new ATOM 281 N LEU A 20 -7.190 20.111 -18.815 1.00 0.00 N ATOM 282 CA LEU A 20 -6.332 19.547 -17.778 1.00 0.00 C ATOM 283 C LEU A 20 -5.521 20.634 -17.077 1.00 0.00 C ATOM 284 O LEU A 20 -5.220 21.674 -17.662 1.00 0.00 O ATOM 285 CB LEU A 20 -5.372 18.509 -18.372 1.00 0.00 C ATOM 286 CG LEU A 20 -5.992 17.422 -19.265 1.00 0.00 C ATOM 287 CD1 LEU A 20 -7.439 17.135 -18.881 1.00 0.00 C ATOM 288 CD2 LEU A 20 -5.896 17.815 -20.726 1.00 0.00 C ATOM 0 H LEU A 20 -6.754 20.175 -19.735 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.983 19.065 -17.048 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.618 19.038 -18.955 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.852 18.017 -17.550 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.423 16.505 -19.111 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.842 16.362 -19.535 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.480 16.794 -17.847 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.031 18.044 -18.987 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.340 17.034 -21.343 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.430 18.751 -20.887 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.849 17.943 -21.000 1.00 0.00 H new ATOM 300 N ARG A 21 -5.159 20.378 -15.822 1.00 0.00 N ATOM 301 CA ARG A 21 -4.370 21.328 -15.041 1.00 0.00 C ATOM 302 C ARG A 21 -3.333 20.599 -14.194 1.00 0.00 C ATOM 303 O ARG A 21 -3.595 20.228 -13.050 1.00 0.00 O ATOM 304 CB ARG A 21 -5.279 22.163 -14.146 1.00 0.00 C ATOM 305 CG ARG A 21 -5.127 23.662 -14.349 1.00 0.00 C ATOM 306 CD ARG A 21 -5.609 24.442 -13.137 1.00 0.00 C ATOM 307 NE ARG A 21 -4.861 24.100 -11.931 1.00 0.00 N ATOM 308 CZ ARG A 21 -3.637 24.550 -11.672 1.00 0.00 C ATOM 309 NH1 ARG A 21 -3.031 25.358 -12.530 1.00 0.00 N ATOM 310 NH2 ARG A 21 -3.021 24.192 -10.553 1.00 0.00 N ATOM 0 H ARG A 21 -5.399 19.521 -15.324 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.850 21.990 -15.734 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.316 21.883 -14.334 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.068 21.923 -13.104 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.081 23.899 -14.543 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.692 23.970 -15.229 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.513 25.510 -13.332 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.668 24.242 -12.975 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.302 23.482 -11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.504 25.635 -13.390 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.092 25.703 -12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.486 23.571 -9.891 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.082 24.537 -10.355 1.00 0.00 H new ATOM 324 N TRP A 22 -2.156 20.400 -14.771 1.00 0.00 N ATOM 325 CA TRP A 22 -1.067 19.713 -14.080 1.00 0.00 C ATOM 326 C TRP A 22 0.029 20.693 -13.672 1.00 0.00 C ATOM 327 O TRP A 22 0.384 21.595 -14.430 1.00 0.00 O ATOM 328 CB TRP A 22 -0.479 18.611 -14.967 1.00 0.00 C ATOM 329 CG TRP A 22 -0.268 19.040 -16.385 1.00 0.00 C ATOM 330 CD1 TRP A 22 0.699 19.882 -16.853 1.00 0.00 C ATOM 331 CD2 TRP A 22 -1.041 18.645 -17.523 1.00 0.00 C ATOM 332 NE1 TRP A 22 0.568 20.042 -18.211 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.494 19.293 -18.646 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.147 17.809 -17.702 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -1.015 19.130 -19.926 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.661 17.647 -18.972 1.00 0.00 C ATOM 337 CH2 TRP A 22 -2.098 18.305 -20.070 1.00 0.00 C ATOM 0 H TRP A 22 -1.928 20.704 -15.718 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.478 19.261 -13.177 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.473 18.287 -14.548 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.145 17.748 -14.951 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.456 20.354 -16.244 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.164 20.624 -18.800 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.592 17.299 -16.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.581 19.636 -20.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.513 17.001 -19.121 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.526 18.159 -21.051 1.00 0.00 H new ATOM 348 N GLU A 23 0.564 20.507 -12.467 1.00 0.00 N ATOM 349 CA GLU A 23 1.622 21.372 -11.956 1.00 0.00 C ATOM 350 C GLU A 23 2.866 20.559 -11.606 1.00 0.00 C ATOM 351 O GLU A 23 2.781 19.537 -10.927 1.00 0.00 O ATOM 352 CB GLU A 23 1.138 22.137 -10.724 1.00 0.00 C ATOM 353 CG GLU A 23 0.330 23.379 -11.061 1.00 0.00 C ATOM 354 CD GLU A 23 0.378 24.420 -9.960 1.00 0.00 C ATOM 355 OE1 GLU A 23 0.362 24.031 -8.773 1.00 0.00 O ATOM 356 OE2 GLU A 23 0.431 25.625 -10.284 1.00 0.00 O ATOM 0 H GLU A 23 0.281 19.765 -11.827 1.00 0.00 H new ATOM 0 HA GLU A 23 1.881 22.086 -12.738 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.530 21.473 -10.110 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.001 22.426 -10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.709 23.815 -11.985 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.707 23.096 -11.244 1.00 0.00 H new ATOM 363 N THR A 24 4.019 21.019 -12.080 1.00 0.00 N ATOM 364 CA THR A 24 5.281 20.332 -11.828 1.00 0.00 C ATOM 365 C THR A 24 6.032 20.950 -10.656 1.00 0.00 C ATOM 366 O THR A 24 5.843 22.121 -10.328 1.00 0.00 O ATOM 367 CB THR A 24 6.168 20.386 -13.072 1.00 0.00 C ATOM 368 OG1 THR A 24 5.794 21.467 -13.907 1.00 0.00 O ATOM 369 CG2 THR A 24 6.109 19.124 -13.904 1.00 0.00 C ATOM 0 H THR A 24 4.106 21.866 -12.642 1.00 0.00 H new ATOM 0 HA THR A 24 5.045 19.297 -11.582 1.00 0.00 H new ATOM 0 HB THR A 24 7.184 20.508 -12.697 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.939 21.264 -14.342 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.761 19.229 -14.771 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.438 18.276 -13.303 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.085 18.956 -14.238 1.00 0.00 H new ATOM 377 N MET A 25 6.915 20.160 -10.053 1.00 0.00 N ATOM 378 CA MET A 25 7.731 20.634 -8.946 1.00 0.00 C ATOM 379 C MET A 25 9.020 21.259 -9.478 1.00 0.00 C ATOM 380 O MET A 25 9.790 21.854 -8.724 1.00 0.00 O ATOM 381 CB MET A 25 8.066 19.488 -7.990 1.00 0.00 C ATOM 382 CG MET A 25 6.870 18.995 -7.188 1.00 0.00 C ATOM 383 SD MET A 25 6.171 20.274 -6.126 1.00 0.00 S ATOM 384 CE MET A 25 4.643 20.631 -6.987 1.00 0.00 C ATOM 0 H MET A 25 7.082 19.188 -10.314 1.00 0.00 H new ATOM 0 HA MET A 25 7.164 21.387 -8.399 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.477 18.656 -8.563 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.845 19.816 -7.301 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.101 18.636 -7.873 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.173 18.146 -6.576 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.096 21.406 -6.451 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.866 20.977 -7.996 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.035 19.728 -7.039 1.00 0.00 H new ATOM 394 N LYS A 26 9.249 21.118 -10.788 1.00 0.00 N ATOM 395 CA LYS A 26 10.436 21.662 -11.431 1.00 0.00 C ATOM 396 C LYS A 26 11.681 20.836 -11.103 1.00 0.00 C ATOM 397 O LYS A 26 12.786 21.169 -11.534 1.00 0.00 O ATOM 398 CB LYS A 26 10.641 23.120 -11.021 1.00 0.00 C ATOM 399 CG LYS A 26 9.357 23.936 -11.006 1.00 0.00 C ATOM 400 CD LYS A 26 8.688 23.951 -12.371 1.00 0.00 C ATOM 401 CE LYS A 26 7.288 24.539 -12.298 1.00 0.00 C ATOM 402 NZ LYS A 26 7.214 25.880 -12.938 1.00 0.00 N ATOM 0 H LYS A 26 8.619 20.627 -11.422 1.00 0.00 H new ATOM 0 HA LYS A 26 10.282 21.615 -12.509 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.092 23.150 -10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.349 23.585 -11.707 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.670 23.521 -10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.578 24.958 -10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.292 24.532 -13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.637 22.936 -12.764 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.585 23.864 -12.787 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.981 24.617 -11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.243 26.246 -12.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.866 26.531 -12.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.482 25.802 -13.940 1.00 0.00 H new ATOM 416 N MET A 27 11.500 19.751 -10.352 1.00 0.00 N ATOM 417 CA MET A 27 12.607 18.873 -9.984 1.00 0.00 C ATOM 418 C MET A 27 13.791 19.672 -9.452 1.00 0.00 C ATOM 419 O MET A 27 14.935 19.224 -9.522 1.00 0.00 O ATOM 420 CB MET A 27 13.051 18.025 -11.184 1.00 0.00 C ATOM 421 CG MET A 27 12.005 17.894 -12.286 1.00 0.00 C ATOM 422 SD MET A 27 10.393 17.377 -11.663 1.00 0.00 S ATOM 423 CE MET A 27 9.306 18.127 -12.874 1.00 0.00 C ATOM 0 H MET A 27 10.594 19.459 -9.986 1.00 0.00 H new ATOM 0 HA MET A 27 12.252 18.212 -9.194 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.955 18.463 -11.608 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.315 17.028 -10.831 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.902 18.851 -12.798 1.00 0.00 H new ATOM 0 HG3 MET A 27 12.352 17.173 -13.026 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.280 17.810 -12.688 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.370 19.212 -12.797 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.606 17.816 -13.875 1.00 0.00 H new ATOM 433 N ARG A 28 13.509 20.856 -8.914 1.00 0.00 N ATOM 434 CA ARG A 28 14.551 21.720 -8.363 1.00 0.00 C ATOM 435 C ARG A 28 15.789 21.745 -9.260 1.00 0.00 C ATOM 436 O ARG A 28 16.919 21.809 -8.776 1.00 0.00 O ATOM 437 CB ARG A 28 14.928 21.246 -6.958 1.00 0.00 C ATOM 438 CG ARG A 28 13.723 20.922 -6.087 1.00 0.00 C ATOM 439 CD ARG A 28 13.091 22.182 -5.520 1.00 0.00 C ATOM 440 NE ARG A 28 13.293 22.293 -4.077 1.00 0.00 N ATOM 441 CZ ARG A 28 12.543 21.666 -3.178 1.00 0.00 C ATOM 442 NH1 ARG A 28 11.540 20.891 -3.569 1.00 0.00 N ATOM 443 NH2 ARG A 28 12.795 21.813 -1.884 1.00 0.00 N ATOM 0 H ARG A 28 12.566 21.240 -8.848 1.00 0.00 H new ATOM 0 HA ARG A 28 14.157 22.735 -8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.558 20.360 -7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.523 22.017 -6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.985 20.376 -6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.028 20.268 -5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.517 23.055 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.023 22.182 -5.738 1.00 0.00 H new ATOM 0 HE ARG A 28 14.053 22.885 -3.741 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.343 20.775 -4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.966 20.411 -2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.565 22.408 -1.579 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.218 21.331 -1.194 1.00 0.00 H new ATOM 457 N TYR A 29 15.562 21.691 -10.570 1.00 0.00 N ATOM 458 CA TYR A 29 16.651 21.704 -11.540 1.00 0.00 C ATOM 459 C TYR A 29 16.693 23.030 -12.293 1.00 0.00 C ATOM 460 O TYR A 29 15.938 23.953 -11.987 1.00 0.00 O ATOM 461 CB TYR A 29 16.491 20.545 -12.531 1.00 0.00 C ATOM 462 CG TYR A 29 17.034 19.221 -12.035 1.00 0.00 C ATOM 463 CD1 TYR A 29 17.376 19.033 -10.699 1.00 0.00 C ATOM 464 CD2 TYR A 29 17.204 18.154 -12.909 1.00 0.00 C ATOM 465 CE1 TYR A 29 17.870 17.822 -10.253 1.00 0.00 C ATOM 466 CE2 TYR A 29 17.698 16.941 -12.469 1.00 0.00 C ATOM 467 CZ TYR A 29 18.028 16.780 -11.141 1.00 0.00 C ATOM 468 OH TYR A 29 18.518 15.573 -10.699 1.00 0.00 O ATOM 0 H TYR A 29 14.631 21.638 -10.984 1.00 0.00 H new ATOM 0 HA TYR A 29 17.590 21.585 -10.999 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.433 20.426 -12.765 1.00 0.00 H new ATOM 0 HB3 TYR A 29 16.996 20.806 -13.461 1.00 0.00 H new ATOM 0 HD1 TYR A 29 17.253 19.847 -10.000 1.00 0.00 H new ATOM 0 HD2 TYR A 29 16.945 18.275 -13.951 1.00 0.00 H new ATOM 0 HE1 TYR A 29 18.131 17.693 -9.213 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.825 16.123 -13.163 1.00 0.00 H new ATOM 0 HH TYR A 29 18.567 14.945 -11.450 1.00 0.00 H new ATOM 478 N GLU A 30 17.578 23.117 -13.281 1.00 0.00 N ATOM 479 CA GLU A 30 17.718 24.329 -14.079 1.00 0.00 C ATOM 480 C GLU A 30 16.425 24.639 -14.826 1.00 0.00 C ATOM 481 O GLU A 30 15.420 23.947 -14.664 1.00 0.00 O ATOM 482 CB GLU A 30 18.869 24.180 -15.074 1.00 0.00 C ATOM 483 CG GLU A 30 20.243 24.289 -14.434 1.00 0.00 C ATOM 484 CD GLU A 30 20.809 22.941 -14.031 1.00 0.00 C ATOM 485 OE1 GLU A 30 21.171 22.156 -14.932 1.00 0.00 O ATOM 486 OE2 GLU A 30 20.890 22.672 -12.814 1.00 0.00 O ATOM 0 H GLU A 30 18.209 22.362 -13.548 1.00 0.00 H new ATOM 0 HA GLU A 30 17.936 25.156 -13.403 1.00 0.00 H new ATOM 0 HB2 GLU A 30 18.785 23.214 -15.572 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.774 24.945 -15.844 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.927 24.772 -15.132 1.00 0.00 H new ATOM 0 HG3 GLU A 30 20.180 24.930 -13.554 1.00 0.00 H new ATOM 493 N HIS A 31 16.460 25.684 -15.646 1.00 0.00 N ATOM 494 CA HIS A 31 15.294 26.091 -16.422 1.00 0.00 C ATOM 495 C HIS A 31 15.050 25.135 -17.585 1.00 0.00 C ATOM 496 O HIS A 31 15.416 25.425 -18.726 1.00 0.00 O ATOM 497 CB HIS A 31 15.481 27.515 -16.950 1.00 0.00 C ATOM 498 CG HIS A 31 15.775 28.518 -15.879 1.00 0.00 C ATOM 499 ND1 HIS A 31 15.689 29.879 -16.079 1.00 0.00 N ATOM 500 CD2 HIS A 31 16.152 28.352 -14.589 1.00 0.00 C ATOM 501 CE1 HIS A 31 16.002 30.507 -14.960 1.00 0.00 C ATOM 502 NE2 HIS A 31 16.286 29.603 -14.040 1.00 0.00 N ATOM 0 H HIS A 31 17.285 26.266 -15.791 1.00 0.00 H new ATOM 0 HA HIS A 31 14.425 26.063 -15.765 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.295 27.521 -17.675 1.00 0.00 H new ATOM 0 HB3 HIS A 31 14.579 27.818 -17.482 1.00 0.00 H new ATOM 0 HD2 HIS A 31 16.317 27.411 -14.086 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.022 31.578 -14.821 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.560 29.802 -13.078 1.00 0.00 H new ATOM 511 N ILE A 32 14.429 23.998 -17.293 1.00 0.00 N ATOM 512 CA ILE A 32 14.136 23.005 -18.318 1.00 0.00 C ATOM 513 C ILE A 32 12.759 23.236 -18.928 1.00 0.00 C ATOM 514 O ILE A 32 11.780 23.447 -18.212 1.00 0.00 O ATOM 515 CB ILE A 32 14.186 21.571 -17.752 1.00 0.00 C ATOM 516 CG1 ILE A 32 15.418 21.377 -16.868 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.177 20.557 -18.884 1.00 0.00 C ATOM 518 CD1 ILE A 32 15.218 20.347 -15.776 1.00 0.00 C ATOM 0 H ILE A 32 14.119 23.742 -16.356 1.00 0.00 H new ATOM 0 HA ILE A 32 14.903 23.115 -19.085 1.00 0.00 H new ATOM 0 HB ILE A 32 13.300 21.415 -17.136 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.260 21.076 -17.492 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.684 22.331 -16.413 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.213 19.549 -18.470 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.267 20.676 -19.472 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.045 20.718 -19.523 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.131 20.260 -15.187 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.397 20.657 -15.130 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.982 19.382 -16.225 1.00 0.00 H new ATOM 530 N ASP A 33 12.685 23.184 -20.253 1.00 0.00 N ATOM 531 CA ASP A 33 11.421 23.377 -20.952 1.00 0.00 C ATOM 532 C ASP A 33 10.370 22.405 -20.422 1.00 0.00 C ATOM 533 O ASP A 33 9.228 22.785 -20.164 1.00 0.00 O ATOM 534 CB ASP A 33 11.612 23.172 -22.457 1.00 0.00 C ATOM 535 CG ASP A 33 11.910 24.469 -23.184 1.00 0.00 C ATOM 536 OD1 ASP A 33 12.512 25.372 -22.567 1.00 0.00 O ATOM 537 OD2 ASP A 33 11.543 24.579 -24.373 1.00 0.00 O ATOM 0 H ASP A 33 13.484 23.010 -20.863 1.00 0.00 H new ATOM 0 HA ASP A 33 11.078 24.397 -20.776 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.428 22.469 -22.624 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.712 22.722 -22.877 1.00 0.00 H new ATOM 542 N HIS A 34 10.774 21.150 -20.260 1.00 0.00 N ATOM 543 CA HIS A 34 9.885 20.108 -19.757 1.00 0.00 C ATOM 544 C HIS A 34 8.750 19.826 -20.737 1.00 0.00 C ATOM 545 O HIS A 34 7.860 20.654 -20.927 1.00 0.00 O ATOM 546 CB HIS A 34 9.305 20.499 -18.392 1.00 0.00 C ATOM 547 CG HIS A 34 10.141 20.061 -17.227 1.00 0.00 C ATOM 548 ND1 HIS A 34 11.137 20.841 -16.677 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.122 18.916 -16.504 1.00 0.00 C ATOM 550 CE1 HIS A 34 11.693 20.191 -15.668 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.095 19.023 -15.544 1.00 0.00 N ATOM 0 H HIS A 34 11.718 20.828 -20.471 1.00 0.00 H new ATOM 0 HA HIS A 34 10.478 19.201 -19.645 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.188 21.582 -18.355 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.309 20.067 -18.294 1.00 0.00 H new ATOM 0 HD1 HIS A 34 11.403 21.772 -16.998 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.462 18.074 -16.656 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.500 20.556 -15.050 1.00 0.00 H new ATOM 560 N THR A 35 8.783 18.645 -21.348 1.00 0.00 N ATOM 561 CA THR A 35 7.753 18.241 -22.297 1.00 0.00 C ATOM 562 C THR A 35 6.781 17.270 -21.637 1.00 0.00 C ATOM 563 O THR A 35 7.150 16.554 -20.706 1.00 0.00 O ATOM 564 CB THR A 35 8.385 17.590 -23.529 1.00 0.00 C ATOM 565 OG1 THR A 35 9.640 17.019 -23.205 1.00 0.00 O ATOM 566 CG2 THR A 35 8.600 18.556 -24.674 1.00 0.00 C ATOM 0 H THR A 35 9.515 17.950 -21.201 1.00 0.00 H new ATOM 0 HA THR A 35 7.207 19.130 -22.613 1.00 0.00 H new ATOM 0 HB THR A 35 7.675 16.827 -23.849 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.028 16.606 -24.005 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.051 18.029 -25.515 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.642 18.976 -24.981 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.262 19.360 -24.352 1.00 0.00 H new ATOM 574 N PHE A 36 5.540 17.248 -22.112 1.00 0.00 N ATOM 575 CA PHE A 36 4.537 16.358 -21.541 1.00 0.00 C ATOM 576 C PHE A 36 3.744 15.627 -22.618 1.00 0.00 C ATOM 577 O PHE A 36 3.410 16.195 -23.658 1.00 0.00 O ATOM 578 CB PHE A 36 3.578 17.138 -20.638 1.00 0.00 C ATOM 579 CG PHE A 36 4.266 18.071 -19.684 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.764 19.287 -20.120 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.409 17.732 -18.348 1.00 0.00 C ATOM 582 CE1 PHE A 36 5.394 20.149 -19.243 1.00 0.00 C ATOM 583 CE2 PHE A 36 5.037 18.589 -17.467 1.00 0.00 C ATOM 584 CZ PHE A 36 5.531 19.800 -17.913 1.00 0.00 C ATOM 0 H PHE A 36 5.208 17.829 -22.882 1.00 0.00 H new ATOM 0 HA PHE A 36 5.070 15.613 -20.950 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.893 17.712 -21.262 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.975 16.431 -20.068 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.659 19.565 -21.158 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.025 16.787 -17.992 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.779 21.094 -19.596 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.142 18.313 -16.428 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.022 20.471 -17.224 1.00 0.00 H new ATOM 594 N GLU A 37 3.431 14.363 -22.346 1.00 0.00 N ATOM 595 CA GLU A 37 2.658 13.541 -23.269 1.00 0.00 C ATOM 596 C GLU A 37 1.287 13.246 -22.672 1.00 0.00 C ATOM 597 O GLU A 37 1.180 12.610 -21.624 1.00 0.00 O ATOM 598 CB GLU A 37 3.395 12.235 -23.567 1.00 0.00 C ATOM 599 CG GLU A 37 3.601 11.977 -25.052 1.00 0.00 C ATOM 600 CD GLU A 37 3.310 10.542 -25.439 1.00 0.00 C ATOM 601 OE1 GLU A 37 2.143 10.240 -25.767 1.00 0.00 O ATOM 602 OE2 GLU A 37 4.248 9.717 -25.414 1.00 0.00 O ATOM 0 H GLU A 37 3.704 13.884 -21.488 1.00 0.00 H new ATOM 0 HA GLU A 37 2.531 14.086 -24.204 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.366 12.254 -23.072 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.835 11.405 -23.137 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.956 12.642 -25.626 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.629 12.221 -25.320 1.00 0.00 H new ATOM 609 N ILE A 38 0.242 13.732 -23.329 1.00 0.00 N ATOM 610 CA ILE A 38 -1.118 13.538 -22.842 1.00 0.00 C ATOM 611 C ILE A 38 -1.905 12.567 -23.711 1.00 0.00 C ATOM 612 O ILE A 38 -1.680 12.465 -24.916 1.00 0.00 O ATOM 613 CB ILE A 38 -1.884 14.872 -22.797 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.111 15.908 -21.988 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.277 14.674 -22.219 1.00 0.00 C ATOM 616 CD1 ILE A 38 -0.875 17.194 -22.746 1.00 0.00 C ATOM 0 H ILE A 38 0.309 14.262 -24.198 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.024 13.123 -21.838 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.987 15.240 -23.818 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.659 16.128 -21.072 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.151 15.486 -21.691 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.801 15.630 -22.196 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.832 13.971 -22.840 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.198 14.280 -21.206 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.320 17.890 -22.117 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.301 16.984 -23.649 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.833 17.636 -23.020 1.00 0.00 H new ATOM 628 N GLN A 39 -2.853 11.879 -23.086 1.00 0.00 N ATOM 629 CA GLN A 39 -3.712 10.936 -23.789 1.00 0.00 C ATOM 630 C GLN A 39 -5.018 10.754 -23.026 1.00 0.00 C ATOM 631 O GLN A 39 -5.027 10.272 -21.895 1.00 0.00 O ATOM 632 CB GLN A 39 -3.007 9.587 -23.997 1.00 0.00 C ATOM 633 CG GLN A 39 -2.651 8.860 -22.711 1.00 0.00 C ATOM 634 CD GLN A 39 -2.091 7.474 -22.962 1.00 0.00 C ATOM 635 OE1 GLN A 39 -2.581 6.486 -22.415 1.00 0.00 O ATOM 636 NE2 GLN A 39 -1.057 7.394 -23.791 1.00 0.00 N ATOM 0 H GLN A 39 -3.046 11.958 -22.088 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.935 11.343 -24.775 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.650 8.944 -24.598 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.095 9.752 -24.571 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.920 9.448 -22.156 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.539 8.781 -22.084 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.683 8.239 -24.222 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.637 6.487 -23.996 1.00 0.00 H new ATOM 645 N TYR A 40 -6.120 11.166 -23.642 1.00 0.00 N ATOM 646 CA TYR A 40 -7.427 11.063 -23.008 1.00 0.00 C ATOM 647 C TYR A 40 -8.293 10.017 -23.700 1.00 0.00 C ATOM 648 O TYR A 40 -8.776 10.228 -24.812 1.00 0.00 O ATOM 649 CB TYR A 40 -8.129 12.424 -23.018 1.00 0.00 C ATOM 650 CG TYR A 40 -8.134 13.093 -24.373 1.00 0.00 C ATOM 651 CD1 TYR A 40 -9.141 12.830 -25.290 1.00 0.00 C ATOM 652 CD2 TYR A 40 -7.129 13.979 -24.738 1.00 0.00 C ATOM 653 CE1 TYR A 40 -9.149 13.430 -26.533 1.00 0.00 C ATOM 654 CE2 TYR A 40 -7.130 14.586 -25.980 1.00 0.00 C ATOM 655 CZ TYR A 40 -8.142 14.308 -26.874 1.00 0.00 C ATOM 656 OH TYR A 40 -8.146 14.908 -28.112 1.00 0.00 O ATOM 0 H TYR A 40 -6.134 11.573 -24.577 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.278 10.748 -21.975 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -9.158 12.295 -22.682 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.639 13.081 -22.300 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -9.932 12.144 -25.027 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.334 14.197 -24.040 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.940 13.213 -27.235 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.342 15.274 -26.249 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.368 15.498 -28.192 1.00 0.00 H new ATOM 666 N ARG A 41 -8.494 8.890 -23.025 1.00 0.00 N ATOM 667 CA ARG A 41 -9.308 7.810 -23.560 1.00 0.00 C ATOM 668 C ARG A 41 -10.729 7.928 -23.028 1.00 0.00 C ATOM 669 O ARG A 41 -11.169 9.018 -22.665 1.00 0.00 O ATOM 670 CB ARG A 41 -8.698 6.447 -23.201 1.00 0.00 C ATOM 671 CG ARG A 41 -8.944 5.994 -21.767 1.00 0.00 C ATOM 672 CD ARG A 41 -9.324 4.523 -21.707 1.00 0.00 C ATOM 673 NE ARG A 41 -9.496 4.056 -20.335 1.00 0.00 N ATOM 674 CZ ARG A 41 -10.116 2.925 -20.013 1.00 0.00 C ATOM 675 NH1 ARG A 41 -10.618 2.147 -20.963 1.00 0.00 N ATOM 676 NH2 ARG A 41 -10.236 2.568 -18.741 1.00 0.00 N ATOM 0 H ARG A 41 -8.101 8.703 -22.102 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.334 7.887 -24.647 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.101 5.695 -23.879 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.623 6.489 -23.374 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.047 6.164 -21.171 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.739 6.595 -21.325 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.249 4.365 -22.262 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.553 3.929 -22.198 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.119 4.630 -19.581 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.529 2.416 -21.943 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.093 1.280 -20.714 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.852 3.162 -18.006 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.712 1.699 -18.498 1.00 0.00 H new ATOM 690 N LYS A 42 -11.446 6.815 -22.974 1.00 0.00 N ATOM 691 CA LYS A 42 -12.809 6.841 -22.475 1.00 0.00 C ATOM 692 C LYS A 42 -13.172 5.545 -21.764 1.00 0.00 C ATOM 693 O LYS A 42 -12.566 4.498 -21.996 1.00 0.00 O ATOM 694 CB LYS A 42 -13.783 7.114 -23.617 1.00 0.00 C ATOM 695 CG LYS A 42 -13.231 8.075 -24.652 1.00 0.00 C ATOM 696 CD LYS A 42 -14.254 8.385 -25.730 1.00 0.00 C ATOM 697 CE LYS A 42 -13.958 7.608 -27.000 1.00 0.00 C ATOM 698 NZ LYS A 42 -14.217 8.416 -28.223 1.00 0.00 N ATOM 0 H LYS A 42 -11.111 5.896 -23.265 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.881 7.647 -21.745 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.037 6.172 -24.103 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.708 7.521 -23.208 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.925 9.000 -24.163 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.339 7.646 -25.109 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.253 8.136 -25.371 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.250 9.454 -25.944 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.917 7.285 -26.993 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.571 6.707 -27.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.002 7.847 -29.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.216 8.703 -28.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.614 9.263 -28.214 1.00 0.00 H new ATOM 712 N ASP A 43 -14.170 5.632 -20.895 1.00 0.00 N ATOM 713 CA ASP A 43 -14.639 4.486 -20.133 1.00 0.00 C ATOM 714 C ASP A 43 -15.192 3.397 -21.060 1.00 0.00 C ATOM 715 O ASP A 43 -15.389 2.258 -20.639 1.00 0.00 O ATOM 716 CB ASP A 43 -15.699 4.951 -19.120 1.00 0.00 C ATOM 717 CG ASP A 43 -16.588 3.828 -18.609 1.00 0.00 C ATOM 718 OD1 ASP A 43 -16.067 2.924 -17.924 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.803 3.855 -18.897 1.00 0.00 O ATOM 0 H ASP A 43 -14.675 6.497 -20.700 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.801 4.048 -19.591 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -15.199 5.421 -18.273 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.323 5.714 -19.585 1.00 0.00 H new ATOM 724 N THR A 44 -15.438 3.751 -22.321 1.00 0.00 N ATOM 725 CA THR A 44 -15.963 2.797 -23.290 1.00 0.00 C ATOM 726 C THR A 44 -14.866 2.330 -24.243 1.00 0.00 C ATOM 727 O THR A 44 -14.756 1.141 -24.543 1.00 0.00 O ATOM 728 CB THR A 44 -17.109 3.423 -24.086 1.00 0.00 C ATOM 729 OG1 THR A 44 -18.109 3.923 -23.215 1.00 0.00 O ATOM 730 CG2 THR A 44 -17.775 2.455 -25.041 1.00 0.00 C ATOM 0 H THR A 44 -15.282 4.688 -22.692 1.00 0.00 H new ATOM 0 HA THR A 44 -16.339 1.933 -22.742 1.00 0.00 H new ATOM 0 HB THR A 44 -16.653 4.225 -24.667 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.833 4.321 -23.742 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.579 2.964 -25.573 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.041 2.088 -25.758 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.186 1.615 -24.480 1.00 0.00 H new ATOM 738 N ALA A 45 -14.057 3.272 -24.717 1.00 0.00 N ATOM 739 CA ALA A 45 -12.970 2.954 -25.637 1.00 0.00 C ATOM 740 C ALA A 45 -11.697 2.588 -24.883 1.00 0.00 C ATOM 741 O ALA A 45 -11.687 2.526 -23.652 1.00 0.00 O ATOM 742 CB ALA A 45 -12.710 4.125 -26.574 1.00 0.00 C ATOM 0 H ALA A 45 -14.133 4.261 -24.480 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.272 2.089 -26.227 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.897 3.873 -27.254 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.611 4.338 -27.149 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.436 5.004 -25.991 1.00 0.00 H new ATOM 748 N THR A 46 -10.624 2.346 -25.628 1.00 0.00 N ATOM 749 CA THR A 46 -9.343 1.985 -25.033 1.00 0.00 C ATOM 750 C THR A 46 -8.355 3.144 -25.126 1.00 0.00 C ATOM 751 O THR A 46 -8.588 4.113 -25.847 1.00 0.00 O ATOM 752 CB THR A 46 -8.764 0.750 -25.724 1.00 0.00 C ATOM 753 OG1 THR A 46 -9.309 0.601 -27.024 1.00 0.00 O ATOM 754 CG2 THR A 46 -9.019 -0.536 -24.968 1.00 0.00 C ATOM 0 H THR A 46 -10.616 2.393 -26.647 1.00 0.00 H new ATOM 0 HA THR A 46 -9.512 1.757 -23.981 1.00 0.00 H new ATOM 0 HB THR A 46 -7.688 0.920 -25.764 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.925 -0.193 -27.451 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.582 -1.372 -25.514 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.566 -0.472 -23.979 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.093 -0.691 -24.866 1.00 0.00 H new ATOM 762 N TRP A 47 -7.251 3.037 -24.394 1.00 0.00 N ATOM 763 CA TRP A 47 -6.230 4.077 -24.398 1.00 0.00 C ATOM 764 C TRP A 47 -5.563 4.176 -25.767 1.00 0.00 C ATOM 765 O TRP A 47 -5.122 5.250 -26.176 1.00 0.00 O ATOM 766 CB TRP A 47 -5.180 3.801 -23.320 1.00 0.00 C ATOM 767 CG TRP A 47 -5.711 3.952 -21.926 1.00 0.00 C ATOM 768 CD1 TRP A 47 -6.212 2.961 -21.132 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.798 5.162 -21.163 1.00 0.00 C ATOM 770 NE1 TRP A 47 -6.604 3.479 -19.923 1.00 0.00 N ATOM 771 CE2 TRP A 47 -6.361 4.827 -19.917 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.454 6.497 -21.410 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -6.589 5.775 -18.922 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.683 7.435 -20.421 1.00 0.00 C ATOM 775 CH2 TRP A 47 -6.245 7.071 -19.190 1.00 0.00 C ATOM 0 H TRP A 47 -7.041 2.241 -23.791 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.715 5.028 -24.180 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.795 2.789 -23.448 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.340 4.482 -23.458 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.289 1.921 -21.414 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.010 2.947 -19.154 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.018 6.788 -22.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.022 5.496 -17.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.424 8.468 -20.600 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.410 7.829 -18.438 1.00 0.00 H new ATOM 786 N LYS A 48 -5.498 3.052 -26.474 1.00 0.00 N ATOM 787 CA LYS A 48 -4.891 3.018 -27.800 1.00 0.00 C ATOM 788 C LYS A 48 -5.611 3.973 -28.744 1.00 0.00 C ATOM 789 O LYS A 48 -4.987 4.626 -29.580 1.00 0.00 O ATOM 790 CB LYS A 48 -4.925 1.597 -28.366 1.00 0.00 C ATOM 791 CG LYS A 48 -4.229 0.574 -27.483 1.00 0.00 C ATOM 792 CD LYS A 48 -5.228 -0.271 -26.712 1.00 0.00 C ATOM 793 CE LYS A 48 -4.735 -1.699 -26.543 1.00 0.00 C ATOM 794 NZ LYS A 48 -4.538 -2.377 -27.854 1.00 0.00 N ATOM 0 H LYS A 48 -5.858 2.154 -26.151 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.852 3.336 -27.708 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.963 1.296 -28.508 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.455 1.595 -29.350 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.603 -0.072 -28.098 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.568 1.086 -26.783 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.403 0.173 -25.732 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.184 -0.274 -27.235 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.795 -1.696 -25.991 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.453 -2.263 -25.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.737 -3.393 -27.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.184 -1.966 -28.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.555 -2.247 -28.168 1.00 0.00 H new ATOM 808 N ASP A 49 -6.929 4.056 -28.596 1.00 0.00 N ATOM 809 CA ASP A 49 -7.738 4.940 -29.425 1.00 0.00 C ATOM 810 C ASP A 49 -7.658 6.375 -28.917 1.00 0.00 C ATOM 811 O ASP A 49 -7.874 7.325 -29.670 1.00 0.00 O ATOM 812 CB ASP A 49 -9.196 4.475 -29.431 1.00 0.00 C ATOM 813 CG ASP A 49 -9.956 4.969 -30.649 1.00 0.00 C ATOM 814 OD1 ASP A 49 -9.823 4.346 -31.723 1.00 0.00 O ATOM 815 OD2 ASP A 49 -10.682 5.977 -30.525 1.00 0.00 O ATOM 0 H ASP A 49 -7.460 3.521 -27.909 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.347 4.905 -30.442 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.227 3.386 -29.404 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.692 4.831 -28.528 1.00 0.00 H new ATOM 820 N SER A 50 -7.345 6.522 -27.633 1.00 0.00 N ATOM 821 CA SER A 50 -7.233 7.837 -27.014 1.00 0.00 C ATOM 822 C SER A 50 -6.393 8.778 -27.868 1.00 0.00 C ATOM 823 O SER A 50 -5.421 8.360 -28.498 1.00 0.00 O ATOM 824 CB SER A 50 -6.611 7.709 -25.623 1.00 0.00 C ATOM 825 OG SER A 50 -5.198 7.631 -25.702 1.00 0.00 O ATOM 0 H SER A 50 -7.164 5.743 -27.000 1.00 0.00 H new ATOM 0 HA SER A 50 -8.236 8.256 -26.928 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.898 8.565 -25.013 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.000 6.820 -25.127 1.00 0.00 H new ATOM 0 HG SER A 50 -4.925 6.692 -25.768 1.00 0.00 H new ATOM 831 N LYS A 51 -6.770 10.051 -27.881 1.00 0.00 N ATOM 832 CA LYS A 51 -6.045 11.050 -28.653 1.00 0.00 C ATOM 833 C LYS A 51 -4.818 11.529 -27.888 1.00 0.00 C ATOM 834 O LYS A 51 -4.934 12.238 -26.889 1.00 0.00 O ATOM 835 CB LYS A 51 -6.951 12.235 -28.980 1.00 0.00 C ATOM 836 CG LYS A 51 -7.393 12.279 -30.433 1.00 0.00 C ATOM 837 CD LYS A 51 -6.945 13.561 -31.112 1.00 0.00 C ATOM 838 CE LYS A 51 -7.579 13.712 -32.485 1.00 0.00 C ATOM 839 NZ LYS A 51 -7.204 12.595 -33.396 1.00 0.00 N ATOM 0 H LYS A 51 -7.572 10.414 -27.366 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.719 10.589 -29.586 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.833 12.194 -28.341 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.426 13.160 -28.740 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.982 11.421 -30.966 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.479 12.198 -30.487 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.211 14.416 -30.491 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.859 13.563 -31.209 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.664 13.748 -32.382 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.269 14.660 -32.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.586 12.778 -34.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.168 12.522 -33.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.595 11.703 -33.031 1.00 0.00 H new ATOM 853 N THR A 52 -3.644 11.131 -28.360 1.00 0.00 N ATOM 854 CA THR A 52 -2.391 11.511 -27.719 1.00 0.00 C ATOM 855 C THR A 52 -2.009 12.946 -28.062 1.00 0.00 C ATOM 856 O THR A 52 -1.760 13.273 -29.222 1.00 0.00 O ATOM 857 CB THR A 52 -1.268 10.563 -28.140 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.637 9.214 -27.911 1.00 0.00 O ATOM 859 CG2 THR A 52 0.033 10.816 -27.408 1.00 0.00 C ATOM 0 H THR A 52 -3.533 10.544 -29.186 1.00 0.00 H new ATOM 0 HA THR A 52 -2.535 11.441 -26.641 1.00 0.00 H new ATOM 0 HB THR A 52 -1.111 10.753 -29.202 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.906 8.623 -28.188 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.788 10.110 -27.753 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.370 11.833 -27.606 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.121 10.687 -26.337 1.00 0.00 H new ATOM 867 N GLU A 53 -1.955 13.795 -27.042 1.00 0.00 N ATOM 868 CA GLU A 53 -1.592 15.193 -27.231 1.00 0.00 C ATOM 869 C GLU A 53 -0.174 15.441 -26.733 1.00 0.00 C ATOM 870 O GLU A 53 0.219 14.947 -25.676 1.00 0.00 O ATOM 871 CB GLU A 53 -2.582 16.104 -26.503 1.00 0.00 C ATOM 872 CG GLU A 53 -2.953 17.348 -27.295 1.00 0.00 C ATOM 873 CD GLU A 53 -1.929 18.458 -27.154 1.00 0.00 C ATOM 874 OE1 GLU A 53 -0.904 18.235 -26.478 1.00 0.00 O ATOM 875 OE2 GLU A 53 -2.154 19.549 -27.717 1.00 0.00 O ATOM 0 H GLU A 53 -2.158 13.539 -26.076 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.631 15.423 -28.296 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.488 15.540 -26.281 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.152 16.405 -25.548 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.056 17.086 -28.348 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.925 17.711 -26.960 1.00 0.00 H new ATOM 882 N THR A 54 0.600 16.191 -27.510 1.00 0.00 N ATOM 883 CA THR A 54 1.982 16.483 -27.154 1.00 0.00 C ATOM 884 C THR A 54 2.142 17.915 -26.649 1.00 0.00 C ATOM 885 O THR A 54 1.609 18.857 -27.235 1.00 0.00 O ATOM 886 CB THR A 54 2.890 16.248 -28.361 1.00 0.00 C ATOM 887 OG1 THR A 54 2.148 16.310 -29.567 1.00 0.00 O ATOM 888 CG2 THR A 54 3.595 14.908 -28.324 1.00 0.00 C ATOM 0 H THR A 54 0.293 16.607 -28.389 1.00 0.00 H new ATOM 0 HA THR A 54 2.270 15.812 -26.345 1.00 0.00 H new ATOM 0 HB THR A 54 3.640 17.038 -28.319 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.747 16.159 -30.328 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.224 14.803 -29.208 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.214 14.847 -27.429 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.855 14.108 -28.308 1.00 0.00 H new ATOM 896 N LEU A 55 2.889 18.063 -25.559 1.00 0.00 N ATOM 897 CA LEU A 55 3.137 19.372 -24.963 1.00 0.00 C ATOM 898 C LEU A 55 4.612 19.745 -25.090 1.00 0.00 C ATOM 899 O LEU A 55 5.491 18.966 -24.720 1.00 0.00 O ATOM 900 CB LEU A 55 2.738 19.367 -23.479 1.00 0.00 C ATOM 901 CG LEU A 55 1.239 19.539 -23.154 1.00 0.00 C ATOM 902 CD1 LEU A 55 0.968 20.926 -22.593 1.00 0.00 C ATOM 903 CD2 LEU A 55 0.354 19.278 -24.365 1.00 0.00 C ATOM 0 H LEU A 55 3.335 17.288 -25.068 1.00 0.00 H new ATOM 0 HA LEU A 55 2.535 20.108 -25.495 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.073 18.427 -23.042 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.287 20.165 -22.978 1.00 0.00 H new ATOM 0 HG LEU A 55 0.988 18.794 -22.399 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.094 21.027 -22.370 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.545 21.068 -21.679 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.258 21.678 -23.326 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.692 19.411 -24.087 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.610 19.978 -25.160 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.509 18.258 -24.716 1.00 0.00 H new ATOM 915 N GLN A 56 4.881 20.941 -25.604 1.00 0.00 N ATOM 916 CA GLN A 56 6.253 21.411 -25.763 1.00 0.00 C ATOM 917 C GLN A 56 6.792 21.927 -24.435 1.00 0.00 C ATOM 918 O GLN A 56 7.971 21.766 -24.120 1.00 0.00 O ATOM 919 CB GLN A 56 6.319 22.517 -26.819 1.00 0.00 C ATOM 920 CG GLN A 56 6.487 21.998 -28.239 1.00 0.00 C ATOM 921 CD GLN A 56 7.728 21.143 -28.403 1.00 0.00 C ATOM 922 OE1 GLN A 56 7.666 20.034 -28.935 1.00 0.00 O ATOM 923 NE2 GLN A 56 8.865 21.654 -27.943 1.00 0.00 N ATOM 0 H GLN A 56 4.169 21.601 -25.917 1.00 0.00 H new ATOM 0 HA GLN A 56 6.868 20.574 -26.092 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.408 23.113 -26.765 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.150 23.182 -26.584 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.609 21.414 -28.515 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.538 22.842 -28.927 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.871 22.577 -27.509 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.732 21.123 -28.024 1.00 0.00 H new ATOM 932 N ASN A 57 5.909 22.547 -23.662 1.00 0.00 N ATOM 933 CA ASN A 57 6.263 23.093 -22.354 1.00 0.00 C ATOM 934 C ASN A 57 5.090 23.870 -21.770 1.00 0.00 C ATOM 935 O ASN A 57 5.160 25.087 -21.594 1.00 0.00 O ATOM 936 CB ASN A 57 7.499 23.999 -22.440 1.00 0.00 C ATOM 937 CG ASN A 57 7.695 24.624 -23.809 1.00 0.00 C ATOM 938 OD1 ASN A 57 6.781 25.236 -24.362 1.00 0.00 O ATOM 939 ND2 ASN A 57 8.894 24.471 -24.358 1.00 0.00 N ATOM 0 H ASN A 57 4.932 22.686 -23.920 1.00 0.00 H new ATOM 0 HA ASN A 57 6.502 22.255 -21.699 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.412 24.791 -21.696 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.385 23.418 -22.184 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.089 24.869 -25.277 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.620 23.955 -23.861 1.00 0.00 H new ATOM 946 N ALA A 58 4.010 23.155 -21.475 1.00 0.00 N ATOM 947 CA ALA A 58 2.814 23.766 -20.912 1.00 0.00 C ATOM 948 C ALA A 58 2.339 23.002 -19.681 1.00 0.00 C ATOM 949 O ALA A 58 2.742 21.861 -19.455 1.00 0.00 O ATOM 950 CB ALA A 58 1.708 23.823 -21.955 1.00 0.00 C ATOM 0 H ALA A 58 3.939 22.147 -21.618 1.00 0.00 H new ATOM 0 HA ALA A 58 3.064 24.782 -20.607 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.821 24.282 -21.520 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.042 24.415 -22.807 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.468 22.813 -22.287 1.00 0.00 H new ATOM 956 N HIS A 59 1.482 23.636 -18.889 1.00 0.00 N ATOM 957 CA HIS A 59 0.957 23.008 -17.684 1.00 0.00 C ATOM 958 C HIS A 59 -0.533 22.711 -17.826 1.00 0.00 C ATOM 959 O HIS A 59 -1.259 22.655 -16.834 1.00 0.00 O ATOM 960 CB HIS A 59 1.195 23.906 -16.469 1.00 0.00 C ATOM 961 CG HIS A 59 2.550 23.736 -15.859 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.885 24.232 -14.616 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.660 23.118 -16.326 1.00 0.00 C ATOM 964 CE1 HIS A 59 4.143 23.930 -14.348 1.00 0.00 C ATOM 965 NE2 HIS A 59 4.635 23.254 -15.369 1.00 0.00 N ATOM 0 H HIS A 59 1.137 24.581 -19.059 1.00 0.00 H new ATOM 0 HA HIS A 59 1.484 22.065 -17.540 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.067 24.947 -16.766 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.437 23.693 -15.716 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.760 22.612 -17.275 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.678 24.192 -13.447 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.586 22.891 -15.436 1.00 0.00 H new ATOM 974 N SER A 60 -0.982 22.519 -19.062 1.00 0.00 N ATOM 975 CA SER A 60 -2.387 22.225 -19.317 1.00 0.00 C ATOM 976 C SER A 60 -2.663 22.068 -20.808 1.00 0.00 C ATOM 977 O SER A 60 -1.894 22.533 -21.650 1.00 0.00 O ATOM 978 CB SER A 60 -3.273 23.328 -18.736 1.00 0.00 C ATOM 979 OG SER A 60 -2.904 24.599 -19.241 1.00 0.00 O ATOM 0 H SER A 60 -0.398 22.561 -19.897 1.00 0.00 H new ATOM 0 HA SER A 60 -2.622 21.279 -18.829 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.316 23.126 -18.979 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.193 23.328 -17.649 1.00 0.00 H new ATOM 0 HG SER A 60 -3.487 25.286 -18.855 1.00 0.00 H new ATOM 985 N MET A 61 -3.776 21.412 -21.122 1.00 0.00 N ATOM 986 CA MET A 61 -4.180 21.184 -22.504 1.00 0.00 C ATOM 987 C MET A 61 -5.702 21.215 -22.612 1.00 0.00 C ATOM 988 O MET A 61 -6.398 20.470 -21.923 1.00 0.00 O ATOM 989 CB MET A 61 -3.625 19.843 -22.998 1.00 0.00 C ATOM 990 CG MET A 61 -4.192 19.379 -24.331 1.00 0.00 C ATOM 991 SD MET A 61 -4.431 17.593 -24.393 1.00 0.00 S ATOM 992 CE MET A 61 -6.218 17.482 -24.354 1.00 0.00 C ATOM 0 H MET A 61 -4.419 21.026 -20.430 1.00 0.00 H new ATOM 0 HA MET A 61 -3.774 21.976 -23.134 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.542 19.923 -23.086 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.828 19.081 -22.246 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.145 19.877 -24.510 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.519 19.681 -25.134 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.514 16.536 -23.900 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.621 18.308 -23.768 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.608 17.534 -25.370 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.210 22.096 -23.465 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.651 22.240 -23.649 1.00 0.00 C ATOM 1004 C ALA A 62 -8.251 21.060 -24.406 1.00 0.00 C ATOM 1005 O ALA A 62 -8.272 21.047 -25.637 1.00 0.00 O ATOM 1006 CB ALA A 62 -7.958 23.539 -24.379 1.00 0.00 C ATOM 0 H ALA A 62 -5.647 22.722 -24.041 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.107 22.262 -22.659 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.036 23.636 -24.511 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.586 24.381 -23.795 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.472 23.532 -25.355 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.756 20.075 -23.664 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.375 18.901 -24.273 1.00 0.00 C ATOM 1014 C LEU A 63 -10.422 19.327 -25.303 1.00 0.00 C ATOM 1015 O LEU A 63 -11.511 19.772 -24.942 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.031 18.030 -23.198 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.075 17.437 -22.163 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -9.808 17.179 -20.856 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.452 16.153 -22.690 1.00 0.00 C ATOM 0 H LEU A 63 -8.748 20.067 -22.644 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.599 18.323 -24.775 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.779 18.627 -22.677 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.560 17.213 -23.689 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.276 18.154 -21.975 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.116 16.757 -20.128 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.210 18.117 -20.473 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.625 16.478 -21.029 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.774 15.744 -21.941 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.238 15.428 -22.903 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.897 16.366 -23.604 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.099 19.220 -26.604 1.00 0.00 N ATOM 1032 CA PRO A 64 -10.999 19.616 -27.677 1.00 0.00 C ATOM 1033 C PRO A 64 -11.874 18.477 -28.202 1.00 0.00 C ATOM 1034 O PRO A 64 -13.101 18.546 -28.130 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.029 20.084 -28.760 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.755 19.324 -28.525 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.822 18.729 -27.136 1.00 0.00 C ATOM 0 HA PRO A 64 -11.717 20.365 -27.345 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.427 19.882 -29.755 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.860 21.159 -28.696 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.635 18.539 -29.272 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.893 19.985 -28.616 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.794 17.640 -27.166 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.982 19.053 -26.521 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.242 17.446 -28.751 1.00 0.00 N ATOM 1046 CA ALA A 65 -11.973 16.314 -29.312 1.00 0.00 C ATOM 1047 C ALA A 65 -12.356 15.291 -28.248 1.00 0.00 C ATOM 1048 O ALA A 65 -11.614 14.346 -27.986 1.00 0.00 O ATOM 1049 CB ALA A 65 -11.148 15.655 -30.408 1.00 0.00 C ATOM 0 H ALA A 65 -10.227 17.370 -28.820 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.901 16.699 -29.736 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.700 14.811 -30.822 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.947 16.379 -31.197 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.205 15.302 -29.991 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.532 15.472 -27.653 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.024 14.548 -26.636 1.00 0.00 C ATOM 1057 C LEU A 66 -15.413 14.037 -27.012 1.00 0.00 C ATOM 1058 O LEU A 66 -15.897 14.295 -28.115 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.064 15.219 -25.258 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.838 16.070 -24.894 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.771 16.287 -23.389 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.554 15.422 -25.393 1.00 0.00 C ATOM 0 H LEU A 66 -14.161 16.249 -27.857 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.337 13.703 -26.585 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.950 15.852 -25.208 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.183 14.444 -24.501 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.941 17.038 -25.384 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.897 16.892 -23.147 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.672 16.802 -23.055 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.696 15.323 -22.885 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.702 16.046 -25.122 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.443 14.438 -24.938 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.596 15.318 -26.477 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.050 13.307 -26.101 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.375 12.764 -26.359 1.00 0.00 C ATOM 1076 C GLU A 67 -18.251 12.833 -25.107 1.00 0.00 C ATOM 1077 O GLU A 67 -17.857 12.361 -24.041 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.259 11.314 -26.832 1.00 0.00 C ATOM 1079 CG GLU A 67 -18.598 10.613 -26.963 1.00 0.00 C ATOM 1080 CD GLU A 67 -18.817 10.024 -28.343 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -18.914 10.804 -29.313 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.895 8.782 -28.453 1.00 0.00 O ATOM 0 H GLU A 67 -15.670 13.080 -25.182 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.844 13.365 -27.138 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.751 11.294 -27.796 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.634 10.760 -26.131 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.662 9.819 -26.219 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.397 11.321 -26.743 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.460 13.417 -25.219 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.385 13.531 -24.088 1.00 0.00 C ATOM 1091 C PRO A 68 -20.993 12.186 -23.705 1.00 0.00 C ATOM 1092 O PRO A 68 -20.878 11.210 -24.446 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.465 14.480 -24.606 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.444 14.309 -26.084 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.018 14.002 -26.452 1.00 0.00 C ATOM 0 HA PRO A 68 -19.887 13.887 -23.186 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.442 14.230 -24.193 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.254 15.511 -24.324 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.108 13.501 -26.392 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -21.789 15.213 -26.585 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -19.961 13.305 -27.288 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.478 14.901 -26.749 1.00 0.00 H new ATOM 1103 N SER A 69 -21.635 12.139 -22.543 1.00 0.00 N ATOM 1104 CA SER A 69 -22.256 10.908 -22.066 1.00 0.00 C ATOM 1105 C SER A 69 -21.242 9.769 -22.035 1.00 0.00 C ATOM 1106 O SER A 69 -21.606 8.596 -22.132 1.00 0.00 O ATOM 1107 CB SER A 69 -23.440 10.529 -22.957 1.00 0.00 C ATOM 1108 OG SER A 69 -22.997 10.023 -24.205 1.00 0.00 O ATOM 0 H SER A 69 -21.739 12.936 -21.915 1.00 0.00 H new ATOM 0 HA SER A 69 -22.617 11.080 -21.052 1.00 0.00 H new ATOM 0 HB2 SER A 69 -24.053 9.781 -22.454 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.072 11.402 -23.119 1.00 0.00 H new ATOM 0 HG SER A 69 -22.069 10.299 -24.359 1.00 0.00 H new ATOM 1114 N THR A 70 -19.970 10.124 -21.900 1.00 0.00 N ATOM 1115 CA THR A 70 -18.897 9.139 -21.853 1.00 0.00 C ATOM 1116 C THR A 70 -17.824 9.566 -20.860 1.00 0.00 C ATOM 1117 O THR A 70 -17.449 10.737 -20.805 1.00 0.00 O ATOM 1118 CB THR A 70 -18.277 8.960 -23.244 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.219 8.405 -24.144 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.055 8.062 -23.248 1.00 0.00 C ATOM 0 H THR A 70 -19.656 11.091 -21.821 1.00 0.00 H new ATOM 0 HA THR A 70 -19.319 8.188 -21.527 1.00 0.00 H new ATOM 0 HB THR A 70 -17.973 9.960 -23.554 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.879 9.087 -24.388 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.668 7.979 -24.263 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.288 8.488 -22.601 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.329 7.072 -22.883 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.326 8.613 -20.082 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.289 8.903 -19.102 1.00 0.00 C ATOM 1130 C ARG A 71 -14.938 8.987 -19.793 1.00 0.00 C ATOM 1131 O ARG A 71 -14.546 8.071 -20.507 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.258 7.826 -18.016 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.492 8.368 -16.615 1.00 0.00 C ATOM 1134 CD ARG A 71 -16.644 7.249 -15.597 1.00 0.00 C ATOM 1135 NE ARG A 71 -16.427 7.721 -14.232 1.00 0.00 N ATOM 1136 CZ ARG A 71 -16.744 7.017 -13.150 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -17.289 5.814 -13.274 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -16.516 7.515 -11.943 1.00 0.00 N ATOM 0 H ARG A 71 -17.622 7.637 -20.111 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.511 9.860 -18.630 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -17.017 7.076 -18.238 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.293 7.321 -18.045 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.658 9.009 -16.329 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.388 8.989 -16.610 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.642 6.818 -15.678 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.934 6.454 -15.823 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.009 8.642 -14.102 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.466 5.427 -14.201 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.531 5.276 -12.442 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -16.097 8.440 -11.844 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -16.760 6.974 -11.114 1.00 0.00 H new ATOM 1152 N TYR A 72 -14.239 10.094 -19.595 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.939 10.292 -20.223 1.00 0.00 C ATOM 1154 C TYR A 72 -11.801 10.108 -19.228 1.00 0.00 C ATOM 1155 O TYR A 72 -11.782 10.724 -18.162 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.863 11.680 -20.861 1.00 0.00 C ATOM 1157 CG TYR A 72 -13.161 11.673 -22.343 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.358 11.160 -22.823 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -12.246 12.172 -23.261 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.636 11.143 -24.176 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.516 12.158 -24.617 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.712 11.643 -25.070 1.00 0.00 C ATOM 1163 OH TYR A 72 -13.980 11.628 -26.422 1.00 0.00 O ATOM 0 H TYR A 72 -14.548 10.868 -19.006 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.828 9.535 -20.999 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.568 12.342 -20.359 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.867 12.093 -20.699 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -15.084 10.767 -22.127 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.309 12.577 -22.910 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.573 10.740 -24.532 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.793 12.549 -25.318 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.220 11.237 -26.902 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.847 9.257 -19.595 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.690 8.985 -18.751 1.00 0.00 C ATOM 1175 C TRP A 73 -8.426 9.528 -19.406 1.00 0.00 C ATOM 1176 O TRP A 73 -7.973 9.007 -20.424 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.550 7.480 -18.508 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.686 6.895 -17.725 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.992 6.798 -18.117 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.617 6.324 -16.413 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.737 6.204 -17.129 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.917 5.904 -16.073 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.582 6.126 -15.493 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.208 5.300 -14.853 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.874 5.526 -14.281 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.178 5.118 -13.972 1.00 0.00 C ATOM 0 H TRP A 73 -10.854 8.742 -20.476 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.834 9.482 -17.791 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.480 6.969 -19.468 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.617 7.290 -17.977 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.381 7.139 -19.065 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.739 6.016 -17.174 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.574 6.436 -15.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.213 4.986 -14.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.084 5.370 -13.562 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.374 4.650 -13.019 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.867 10.585 -18.828 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.666 11.196 -19.379 1.00 0.00 C ATOM 1199 C ALA A 74 -5.483 11.085 -18.428 1.00 0.00 C ATOM 1200 O ALA A 74 -5.644 11.047 -17.209 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.930 12.651 -19.737 1.00 0.00 C ATOM 0 H ALA A 74 -8.224 11.033 -17.984 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.405 10.649 -20.285 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.023 13.095 -20.148 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.728 12.704 -20.478 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.228 13.197 -18.842 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.291 11.036 -19.010 1.00 0.00 N ATOM 1208 CA ARG A 75 -3.057 10.933 -18.247 1.00 0.00 C ATOM 1209 C ARG A 75 -1.988 11.819 -18.873 1.00 0.00 C ATOM 1210 O ARG A 75 -2.094 12.194 -20.044 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.582 9.479 -18.207 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.617 8.804 -19.566 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.833 7.501 -19.569 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.629 6.377 -19.081 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.732 6.039 -17.797 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.112 6.752 -16.864 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -3.461 4.988 -17.446 1.00 0.00 N ATOM 0 H ARG A 75 -4.154 11.067 -20.020 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.241 11.267 -17.226 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.564 9.446 -17.818 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.207 8.918 -17.513 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.651 8.607 -19.847 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.205 9.478 -20.317 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.489 7.288 -20.581 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.945 7.612 -18.947 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.137 5.817 -19.766 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.553 7.563 -17.129 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.194 6.489 -15.882 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.942 4.440 -18.159 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.541 4.728 -16.463 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.968 12.161 -18.095 1.00 0.00 N ATOM 1232 CA VAL A 76 0.100 13.014 -18.595 1.00 0.00 C ATOM 1233 C VAL A 76 1.460 12.626 -18.019 1.00 0.00 C ATOM 1234 O VAL A 76 1.624 12.516 -16.806 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.184 14.502 -18.281 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.085 14.823 -16.812 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.635 15.402 -19.191 1.00 0.00 C ATOM 0 H VAL A 76 -0.859 11.864 -17.125 1.00 0.00 H new ATOM 0 HA VAL A 76 0.131 12.872 -19.675 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.241 14.689 -18.469 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.124 15.876 -16.625 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.557 14.208 -16.182 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.129 14.614 -16.579 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.423 16.445 -18.957 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.696 15.204 -19.039 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.374 15.203 -20.230 1.00 0.00 H new ATOM 1247 N ARG A 77 2.436 12.447 -18.897 1.00 0.00 N ATOM 1248 CA ARG A 77 3.787 12.103 -18.476 1.00 0.00 C ATOM 1249 C ARG A 77 4.679 13.334 -18.578 1.00 0.00 C ATOM 1250 O ARG A 77 4.547 14.119 -19.512 1.00 0.00 O ATOM 1251 CB ARG A 77 4.353 10.966 -19.333 1.00 0.00 C ATOM 1252 CG ARG A 77 3.819 10.947 -20.756 1.00 0.00 C ATOM 1253 CD ARG A 77 4.588 9.968 -21.626 1.00 0.00 C ATOM 1254 NE ARG A 77 4.749 8.669 -20.980 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.552 7.715 -21.437 1.00 0.00 C ATOM 1256 NH1 ARG A 77 6.263 7.915 -22.538 1.00 0.00 N ATOM 1257 NH2 ARG A 77 5.646 6.560 -20.793 1.00 0.00 N ATOM 0 H ARG A 77 2.318 12.534 -19.906 1.00 0.00 H new ATOM 0 HA ARG A 77 3.756 11.762 -17.441 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.439 11.052 -19.363 1.00 0.00 H new ATOM 0 HB3 ARG A 77 4.122 10.014 -18.855 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.763 10.675 -20.746 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.887 11.947 -21.184 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.066 9.839 -22.574 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.570 10.382 -21.856 1.00 0.00 H new ATOM 0 HE ARG A 77 4.215 8.484 -20.131 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.194 8.803 -23.036 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.879 7.181 -22.887 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.101 6.403 -19.945 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.263 5.828 -21.145 1.00 0.00 H new ATOM 1271 N VAL A 78 5.572 13.511 -17.613 1.00 0.00 N ATOM 1272 CA VAL A 78 6.459 14.670 -17.615 1.00 0.00 C ATOM 1273 C VAL A 78 7.908 14.268 -17.848 1.00 0.00 C ATOM 1274 O VAL A 78 8.331 13.172 -17.485 1.00 0.00 O ATOM 1275 CB VAL A 78 6.367 15.460 -16.295 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.828 14.604 -15.125 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.185 16.743 -16.383 1.00 0.00 C ATOM 0 H VAL A 78 5.702 12.875 -16.826 1.00 0.00 H new ATOM 0 HA VAL A 78 6.127 15.306 -18.436 1.00 0.00 H new ATOM 0 HB VAL A 78 5.325 15.731 -16.127 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.756 15.180 -14.202 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.197 13.719 -15.051 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.863 14.300 -15.282 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.109 17.288 -15.442 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.229 16.496 -16.576 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.803 17.363 -17.194 1.00 0.00 H new ATOM 1287 N ARG A 79 8.664 15.176 -18.454 1.00 0.00 N ATOM 1288 CA ARG A 79 10.071 14.941 -18.738 1.00 0.00 C ATOM 1289 C ARG A 79 10.876 16.215 -18.532 1.00 0.00 C ATOM 1290 O ARG A 79 10.337 17.316 -18.610 1.00 0.00 O ATOM 1291 CB ARG A 79 10.252 14.442 -20.172 1.00 0.00 C ATOM 1292 CG ARG A 79 11.707 14.242 -20.566 1.00 0.00 C ATOM 1293 CD ARG A 79 12.343 13.114 -19.774 1.00 0.00 C ATOM 1294 NE ARG A 79 13.638 13.491 -19.210 1.00 0.00 N ATOM 1295 CZ ARG A 79 14.142 12.975 -18.090 1.00 0.00 C ATOM 1296 NH1 ARG A 79 13.481 12.036 -17.423 1.00 0.00 N ATOM 1297 NH2 ARG A 79 15.318 13.391 -17.639 1.00 0.00 N ATOM 0 H ARG A 79 8.321 16.087 -18.759 1.00 0.00 H new ATOM 0 HA ARG A 79 10.434 14.178 -18.049 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.719 13.499 -20.290 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.793 15.155 -20.857 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.770 14.022 -21.632 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.262 15.165 -20.398 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.672 12.816 -18.969 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.470 12.246 -20.421 1.00 0.00 H new ATOM 0 HE ARG A 79 14.190 14.192 -19.704 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.580 11.704 -17.767 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.874 11.646 -16.566 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.836 14.106 -18.150 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.704 12.996 -16.781 1.00 0.00 H new ATOM 1311 N THR A 80 12.169 16.058 -18.293 1.00 0.00 N ATOM 1312 CA THR A 80 13.057 17.186 -18.098 1.00 0.00 C ATOM 1313 C THR A 80 13.887 17.385 -19.348 1.00 0.00 C ATOM 1314 O THR A 80 15.104 17.201 -19.345 1.00 0.00 O ATOM 1315 CB THR A 80 13.960 16.957 -16.889 1.00 0.00 C ATOM 1316 OG1 THR A 80 15.045 16.106 -17.218 1.00 0.00 O ATOM 1317 CG2 THR A 80 13.240 16.339 -15.713 1.00 0.00 C ATOM 0 H THR A 80 12.627 15.149 -18.230 1.00 0.00 H new ATOM 0 HA THR A 80 12.465 18.081 -17.909 1.00 0.00 H new ATOM 0 HB THR A 80 14.310 17.950 -16.605 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.632 16.558 -17.860 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.940 16.203 -14.888 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.429 16.995 -15.397 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.831 15.372 -16.004 1.00 0.00 H new ATOM 1325 N SER A 81 13.208 17.737 -20.425 1.00 0.00 N ATOM 1326 CA SER A 81 13.862 17.940 -21.702 1.00 0.00 C ATOM 1327 C SER A 81 14.844 19.104 -21.630 1.00 0.00 C ATOM 1328 O SER A 81 14.577 20.191 -22.140 1.00 0.00 O ATOM 1329 CB SER A 81 12.828 18.191 -22.800 1.00 0.00 C ATOM 1330 OG SER A 81 13.403 18.882 -23.895 1.00 0.00 O ATOM 0 H SER A 81 12.199 17.888 -20.439 1.00 0.00 H new ATOM 0 HA SER A 81 14.418 17.034 -21.944 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.417 17.241 -23.141 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.998 18.770 -22.396 1.00 0.00 H new ATOM 0 HG SER A 81 13.700 19.769 -23.603 1.00 0.00 H new ATOM 1336 N ARG A 82 15.976 18.866 -20.980 1.00 0.00 N ATOM 1337 CA ARG A 82 17.006 19.884 -20.821 1.00 0.00 C ATOM 1338 C ARG A 82 17.755 20.131 -22.127 1.00 0.00 C ATOM 1339 O ARG A 82 18.972 19.974 -22.187 1.00 0.00 O ATOM 1340 CB ARG A 82 17.992 19.462 -19.731 1.00 0.00 C ATOM 1341 CG ARG A 82 18.592 20.630 -18.967 1.00 0.00 C ATOM 1342 CD ARG A 82 20.111 20.631 -19.050 1.00 0.00 C ATOM 1343 NE ARG A 82 20.731 20.375 -17.752 1.00 0.00 N ATOM 1344 CZ ARG A 82 21.977 19.937 -17.606 1.00 0.00 C ATOM 1345 NH1 ARG A 82 22.730 19.708 -18.674 1.00 0.00 N ATOM 1346 NH2 ARG A 82 22.471 19.726 -16.393 1.00 0.00 N ATOM 0 H ARG A 82 16.205 17.969 -20.551 1.00 0.00 H new ATOM 0 HA ARG A 82 16.516 20.814 -20.532 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.483 18.802 -19.028 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.797 18.884 -20.185 1.00 0.00 H new ATOM 0 HG2 ARG A 82 18.204 21.566 -19.369 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.284 20.579 -17.923 1.00 0.00 H new ATOM 0 HD2 ARG A 82 20.435 19.873 -19.762 1.00 0.00 H new ATOM 0 HD3 ARG A 82 20.452 21.593 -19.431 1.00 0.00 H new ATOM 0 HE ARG A 82 20.177 20.542 -16.912 1.00 0.00 H new ATOM 0 HH11 ARG A 82 22.353 19.868 -19.608 1.00 0.00 H new ATOM 0 HH12 ARG A 82 23.686 19.372 -18.561 1.00 0.00 H new ATOM 0 HH21 ARG A 82 21.894 19.900 -15.570 1.00 0.00 H new ATOM 0 HH22 ARG A 82 23.428 19.390 -16.283 1.00 0.00 H new ATOM 1360 N THR A 83 17.016 20.530 -23.160 1.00 0.00 N ATOM 1361 CA THR A 83 17.595 20.818 -24.469 1.00 0.00 C ATOM 1362 C THR A 83 18.300 19.600 -25.068 1.00 0.00 C ATOM 1363 O THR A 83 17.802 18.992 -26.015 1.00 0.00 O ATOM 1364 CB THR A 83 18.564 22.001 -24.375 1.00 0.00 C ATOM 1365 OG1 THR A 83 19.773 21.623 -23.740 1.00 0.00 O ATOM 1366 CG2 THR A 83 17.994 23.176 -23.610 1.00 0.00 C ATOM 0 H THR A 83 16.006 20.662 -23.114 1.00 0.00 H new ATOM 0 HA THR A 83 16.774 21.079 -25.136 1.00 0.00 H new ATOM 0 HB THR A 83 18.744 22.305 -25.406 1.00 0.00 H new ATOM 0 HG1 THR A 83 19.591 21.379 -22.809 1.00 0.00 H new ATOM 0 HG21 THR A 83 18.728 23.981 -23.579 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.090 23.529 -24.106 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.753 22.866 -22.593 1.00 0.00 H new ATOM 1374 N GLY A 84 19.467 19.259 -24.528 1.00 0.00 N ATOM 1375 CA GLY A 84 20.219 18.131 -25.046 1.00 0.00 C ATOM 1376 C GLY A 84 20.114 16.881 -24.191 1.00 0.00 C ATOM 1377 O GLY A 84 20.991 16.017 -24.246 1.00 0.00 O ATOM 0 H GLY A 84 19.904 19.743 -23.743 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.867 17.903 -26.052 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.268 18.414 -25.132 1.00 0.00 H new ATOM 1381 N TYR A 85 19.047 16.766 -23.407 1.00 0.00 N ATOM 1382 CA TYR A 85 18.860 15.592 -22.561 1.00 0.00 C ATOM 1383 C TYR A 85 18.784 14.328 -23.424 1.00 0.00 C ATOM 1384 O TYR A 85 19.202 14.338 -24.581 1.00 0.00 O ATOM 1385 CB TYR A 85 17.605 15.755 -21.680 1.00 0.00 C ATOM 1386 CG TYR A 85 16.333 15.163 -22.256 1.00 0.00 C ATOM 1387 CD1 TYR A 85 15.820 15.608 -23.468 1.00 0.00 C ATOM 1388 CD2 TYR A 85 15.652 14.156 -21.585 1.00 0.00 C ATOM 1389 CE1 TYR A 85 14.661 15.064 -23.994 1.00 0.00 C ATOM 1390 CE2 TYR A 85 14.495 13.608 -22.103 1.00 0.00 C ATOM 1391 CZ TYR A 85 14.003 14.066 -23.307 1.00 0.00 C ATOM 1392 OH TYR A 85 12.851 13.522 -23.827 1.00 0.00 O ATOM 0 H TYR A 85 18.306 17.463 -23.339 1.00 0.00 H new ATOM 0 HA TYR A 85 19.717 15.492 -21.895 1.00 0.00 H new ATOM 0 HB2 TYR A 85 17.797 15.292 -20.712 1.00 0.00 H new ATOM 0 HB3 TYR A 85 17.443 16.818 -21.498 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.333 16.390 -24.008 1.00 0.00 H new ATOM 0 HD2 TYR A 85 16.034 13.795 -20.641 1.00 0.00 H new ATOM 0 HE1 TYR A 85 14.274 15.419 -24.938 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.978 12.825 -21.568 1.00 0.00 H new ATOM 0 HH TYR A 85 13.043 13.123 -24.701 1.00 0.00 H new ATOM 1402 N ASN A 86 18.246 13.246 -22.865 1.00 0.00 N ATOM 1403 CA ASN A 86 18.126 11.996 -23.613 1.00 0.00 C ATOM 1404 C ASN A 86 16.691 11.779 -24.121 1.00 0.00 C ATOM 1405 O ASN A 86 16.266 12.446 -25.064 1.00 0.00 O ATOM 1406 CB ASN A 86 18.627 10.796 -22.795 1.00 0.00 C ATOM 1407 CG ASN A 86 18.389 10.946 -21.310 1.00 0.00 C ATOM 1408 OD1 ASN A 86 19.202 10.516 -20.493 1.00 0.00 O ATOM 1409 ND2 ASN A 86 17.274 11.558 -20.952 1.00 0.00 N ATOM 0 H ASN A 86 17.891 13.208 -21.910 1.00 0.00 H new ATOM 0 HA ASN A 86 18.770 12.078 -24.489 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.130 9.892 -23.147 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.694 10.663 -22.974 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.059 11.690 -19.964 1.00 0.00 H new ATOM 0 HD22 ASN A 86 16.628 11.899 -21.664 1.00 0.00 H new ATOM 1416 N GLY A 87 15.944 10.858 -23.507 1.00 0.00 N ATOM 1417 CA GLY A 87 14.580 10.603 -23.935 1.00 0.00 C ATOM 1418 C GLY A 87 13.992 9.393 -23.239 1.00 0.00 C ATOM 1419 O GLY A 87 13.416 8.513 -23.877 1.00 0.00 O ATOM 0 H GLY A 87 16.261 10.287 -22.723 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.964 11.478 -23.727 1.00 0.00 H new ATOM 0 HA3 GLY A 87 14.560 10.448 -25.014 1.00 0.00 H new ATOM 1423 N ILE A 88 14.156 9.351 -21.922 1.00 0.00 N ATOM 1424 CA ILE A 88 13.660 8.244 -21.117 1.00 0.00 C ATOM 1425 C ILE A 88 12.238 8.503 -20.624 1.00 0.00 C ATOM 1426 O ILE A 88 11.420 7.589 -20.515 1.00 0.00 O ATOM 1427 CB ILE A 88 14.605 7.978 -19.920 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.406 9.017 -18.801 1.00 0.00 C ATOM 1429 CG2 ILE A 88 16.054 7.983 -20.395 1.00 0.00 C ATOM 1430 CD1 ILE A 88 14.996 10.379 -19.102 1.00 0.00 C ATOM 0 H ILE A 88 14.632 10.077 -21.387 1.00 0.00 H new ATOM 0 HA ILE A 88 13.637 7.358 -21.752 1.00 0.00 H new ATOM 0 HB ILE A 88 14.362 6.999 -19.507 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.338 9.130 -18.612 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.853 8.635 -17.883 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.715 7.795 -19.549 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.194 7.204 -21.144 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.290 8.953 -20.832 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.811 11.049 -18.263 1.00 0.00 H new ATOM 0 HD12 ILE A 88 16.070 10.283 -19.260 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.532 10.786 -20.000 1.00 0.00 H new ATOM 1442 N TRP A 89 11.967 9.763 -20.335 1.00 0.00 N ATOM 1443 CA TRP A 89 10.658 10.200 -19.856 1.00 0.00 C ATOM 1444 C TRP A 89 10.332 9.620 -18.484 1.00 0.00 C ATOM 1445 O TRP A 89 10.781 8.529 -18.134 1.00 0.00 O ATOM 1446 CB TRP A 89 9.573 9.817 -20.856 1.00 0.00 C ATOM 1447 CG TRP A 89 9.512 10.746 -22.024 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.420 10.841 -23.036 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.499 11.718 -22.295 1.00 0.00 C ATOM 1450 NE1 TRP A 89 10.028 11.810 -23.929 1.00 0.00 N ATOM 1451 CE2 TRP A 89 8.851 12.364 -23.495 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.325 12.102 -21.641 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.071 13.373 -24.053 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.551 13.104 -22.195 1.00 0.00 C ATOM 1455 CH2 TRP A 89 6.926 13.730 -23.391 1.00 0.00 C ATOM 0 H TRP A 89 12.647 10.518 -20.424 1.00 0.00 H new ATOM 0 HA TRP A 89 10.692 11.285 -19.758 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.755 8.803 -21.212 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.606 9.809 -20.352 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.315 10.243 -23.123 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.531 12.074 -24.776 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.028 11.624 -20.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.358 13.857 -24.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.642 13.409 -21.698 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.300 14.510 -23.799 1.00 0.00 H new ATOM 1466 N SER A 90 9.540 10.364 -17.717 1.00 0.00 N ATOM 1467 CA SER A 90 9.140 9.934 -16.384 1.00 0.00 C ATOM 1468 C SER A 90 8.485 8.559 -16.437 1.00 0.00 C ATOM 1469 O SER A 90 9.081 7.560 -16.037 1.00 0.00 O ATOM 1470 CB SER A 90 8.175 10.948 -15.765 1.00 0.00 C ATOM 1471 OG SER A 90 7.076 11.201 -16.622 1.00 0.00 O ATOM 0 H SER A 90 9.163 11.269 -17.998 1.00 0.00 H new ATOM 0 HA SER A 90 10.034 9.871 -15.763 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.814 10.572 -14.808 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.703 11.880 -15.563 1.00 0.00 H new ATOM 0 HG SER A 90 7.344 11.836 -17.319 1.00 0.00 H new ATOM 1477 N GLU A 91 7.255 8.517 -16.940 1.00 0.00 N ATOM 1478 CA GLU A 91 6.513 7.266 -17.055 1.00 0.00 C ATOM 1479 C GLU A 91 5.062 7.531 -17.444 1.00 0.00 C ATOM 1480 O GLU A 91 4.672 7.340 -18.594 1.00 0.00 O ATOM 1481 CB GLU A 91 6.565 6.486 -15.738 1.00 0.00 C ATOM 1482 CG GLU A 91 7.523 5.306 -15.767 1.00 0.00 C ATOM 1483 CD GLU A 91 6.863 4.031 -16.254 1.00 0.00 C ATOM 1484 OE1 GLU A 91 5.665 3.834 -15.962 1.00 0.00 O ATOM 1485 OE2 GLU A 91 7.545 3.230 -16.927 1.00 0.00 O ATOM 0 H GLU A 91 6.750 9.337 -17.275 1.00 0.00 H new ATOM 0 HA GLU A 91 6.981 6.669 -17.838 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.860 7.163 -14.936 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.565 6.125 -15.499 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.367 5.544 -16.414 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.924 5.144 -14.767 1.00 0.00 H new ATOM 1492 N TRP A 92 4.271 7.978 -16.474 1.00 0.00 N ATOM 1493 CA TRP A 92 2.862 8.275 -16.703 1.00 0.00 C ATOM 1494 C TRP A 92 2.197 8.724 -15.404 1.00 0.00 C ATOM 1495 O TRP A 92 2.253 8.021 -14.396 1.00 0.00 O ATOM 1496 CB TRP A 92 2.137 7.046 -17.260 1.00 0.00 C ATOM 1497 CG TRP A 92 2.028 7.041 -18.755 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.446 6.055 -19.603 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.466 8.067 -19.580 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.179 6.407 -20.903 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.577 7.638 -20.915 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.879 9.309 -19.318 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.124 8.406 -21.985 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.429 10.071 -20.380 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.554 9.617 -21.699 1.00 0.00 C ATOM 0 H TRP A 92 4.584 8.143 -15.517 1.00 0.00 H new ATOM 0 HA TRP A 92 2.797 9.082 -17.433 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.664 6.147 -16.939 1.00 0.00 H new ATOM 0 HB3 TRP A 92 1.136 6.999 -16.831 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.918 5.133 -19.296 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.394 5.844 -21.726 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.779 9.667 -18.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.219 8.059 -23.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.026 11.032 -20.190 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.193 10.235 -22.507 1.00 0.00 H new ATOM 1516 N SER A 93 1.569 9.896 -15.430 1.00 0.00 N ATOM 1517 CA SER A 93 0.901 10.425 -14.246 1.00 0.00 C ATOM 1518 C SER A 93 -0.349 9.618 -13.917 1.00 0.00 C ATOM 1519 O SER A 93 -0.984 9.046 -14.803 1.00 0.00 O ATOM 1520 CB SER A 93 0.529 11.895 -14.444 1.00 0.00 C ATOM 1521 OG SER A 93 -0.375 12.053 -15.525 1.00 0.00 O ATOM 0 H SER A 93 1.509 10.495 -16.254 1.00 0.00 H new ATOM 0 HA SER A 93 1.598 10.346 -13.412 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.080 12.286 -13.531 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.430 12.479 -14.631 1.00 0.00 H new ATOM 0 HG SER A 93 -1.282 11.830 -15.228 1.00 0.00 H new ATOM 1527 N GLU A 94 -0.697 9.581 -12.634 1.00 0.00 N ATOM 1528 CA GLU A 94 -1.875 8.847 -12.178 1.00 0.00 C ATOM 1529 C GLU A 94 -3.085 9.148 -13.060 1.00 0.00 C ATOM 1530 O GLU A 94 -3.414 10.309 -13.306 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.189 9.201 -10.724 1.00 0.00 C ATOM 1532 CG GLU A 94 -2.578 10.657 -10.523 1.00 0.00 C ATOM 1533 CD GLU A 94 -1.650 11.382 -9.568 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -0.478 10.969 -9.452 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -2.096 12.364 -8.937 1.00 0.00 O ATOM 0 H GLU A 94 -0.180 10.051 -11.891 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.656 7.782 -12.248 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.000 8.565 -10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.318 8.978 -10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.573 11.167 -11.486 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.598 10.707 -10.141 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.739 8.094 -13.533 1.00 0.00 N ATOM 1543 CA ALA A 95 -4.910 8.237 -14.389 1.00 0.00 C ATOM 1544 C ALA A 95 -6.022 9.007 -13.684 1.00 0.00 C ATOM 1545 O ALA A 95 -6.195 8.897 -12.470 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.407 6.868 -14.825 1.00 0.00 C ATOM 0 H ALA A 95 -3.477 7.128 -13.337 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.618 8.808 -15.271 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.282 6.985 -15.464 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.620 6.354 -15.378 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.675 6.282 -13.946 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.771 9.785 -14.456 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.869 10.576 -13.912 1.00 0.00 C ATOM 1554 C ARG A 96 -9.103 10.469 -14.801 1.00 0.00 C ATOM 1555 O ARG A 96 -9.060 10.810 -15.984 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.450 12.041 -13.776 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.806 12.370 -12.438 1.00 0.00 C ATOM 1558 CD ARG A 96 -7.738 12.060 -11.278 1.00 0.00 C ATOM 1559 NE ARG A 96 -7.316 12.720 -10.046 1.00 0.00 N ATOM 1560 CZ ARG A 96 -8.025 12.706 -8.923 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -9.185 12.065 -8.877 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -7.575 13.331 -7.843 1.00 0.00 N ATOM 0 H ARG A 96 -6.638 9.885 -15.462 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.116 10.183 -12.926 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.751 12.286 -14.576 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.326 12.675 -13.913 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.884 11.800 -12.327 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.533 13.425 -12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.750 12.377 -11.531 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.772 10.982 -11.119 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.427 13.220 -10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.534 11.582 -9.705 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.728 12.055 -8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.683 13.824 -7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.121 13.319 -6.982 1.00 0.00 H new ATOM 1576 N SER A 97 -10.202 9.991 -14.228 1.00 0.00 N ATOM 1577 CA SER A 97 -11.446 9.836 -14.973 1.00 0.00 C ATOM 1578 C SER A 97 -12.432 10.948 -14.633 1.00 0.00 C ATOM 1579 O SER A 97 -12.580 11.327 -13.471 1.00 0.00 O ATOM 1580 CB SER A 97 -12.076 8.475 -14.672 1.00 0.00 C ATOM 1581 OG SER A 97 -12.850 8.522 -13.485 1.00 0.00 O ATOM 0 H SER A 97 -10.257 9.704 -13.251 1.00 0.00 H new ATOM 0 HA SER A 97 -11.211 9.898 -16.036 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.705 8.169 -15.508 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.293 7.723 -14.570 1.00 0.00 H new ATOM 0 HG SER A 97 -13.243 7.640 -13.316 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.108 11.464 -15.655 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.087 12.529 -15.466 1.00 0.00 C ATOM 1589 C TRP A 98 -15.292 12.328 -16.381 1.00 0.00 C ATOM 1590 O TRP A 98 -15.269 11.483 -17.276 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.447 13.896 -15.727 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.223 14.194 -17.181 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.149 14.640 -18.079 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -11.993 14.070 -17.904 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.567 14.803 -19.314 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.244 14.457 -19.229 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.704 13.670 -17.559 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.249 14.455 -20.202 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.721 13.669 -18.523 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.000 14.060 -19.834 1.00 0.00 C ATOM 0 H TRP A 98 -12.996 11.162 -16.623 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.431 12.494 -14.432 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -14.083 14.672 -15.301 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.492 13.945 -15.205 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -15.187 14.836 -17.853 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -14.042 15.128 -20.156 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.479 13.364 -16.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.461 14.757 -21.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -8.719 13.361 -18.261 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.210 14.049 -20.570 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.341 13.111 -16.154 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.551 13.020 -16.961 1.00 0.00 C ATOM 1613 C ASP A 99 -17.598 14.142 -17.993 1.00 0.00 C ATOM 1614 O ASP A 99 -17.316 15.298 -17.678 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.793 13.079 -16.068 1.00 0.00 C ATOM 1616 CG ASP A 99 -18.730 12.095 -14.916 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -18.206 12.468 -13.846 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -19.204 10.952 -15.086 1.00 0.00 O ATOM 0 H ASP A 99 -16.377 13.816 -15.418 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.538 12.065 -17.487 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -18.904 14.089 -15.673 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -19.678 12.873 -16.669 1.00 0.00 H new ATOM 1623 N THR A 100 -17.954 13.795 -19.225 1.00 0.00 N ATOM 1624 CA THR A 100 -18.036 14.778 -20.301 1.00 0.00 C ATOM 1625 C THR A 100 -19.372 15.523 -20.282 1.00 0.00 C ATOM 1626 O THR A 100 -19.594 16.426 -21.089 1.00 0.00 O ATOM 1627 CB THR A 100 -17.842 14.095 -21.655 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.563 12.877 -21.711 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.394 13.787 -21.966 1.00 0.00 C ATOM 0 H THR A 100 -18.190 12.843 -19.504 1.00 0.00 H new ATOM 0 HA THR A 100 -17.241 15.507 -20.144 1.00 0.00 H new ATOM 0 HB THR A 100 -18.212 14.806 -22.393 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.169 12.295 -22.394 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.326 13.303 -22.940 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.820 14.713 -21.980 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.991 13.122 -21.202 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.260 15.144 -19.364 1.00 0.00 N ATOM 1638 CA GLU A 101 -21.565 15.786 -19.257 1.00 0.00 C ATOM 1639 C GLU A 101 -22.433 15.455 -20.468 1.00 0.00 C ATOM 1640 O GLU A 101 -21.924 15.225 -21.564 1.00 0.00 O ATOM 1641 CB GLU A 101 -21.405 17.301 -19.129 1.00 0.00 C ATOM 1642 CG GLU A 101 -21.673 17.825 -17.728 1.00 0.00 C ATOM 1643 CD GLU A 101 -23.006 18.539 -17.619 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -23.905 18.245 -18.435 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -23.151 19.390 -16.717 1.00 0.00 O ATOM 0 H GLU A 101 -20.099 14.398 -18.687 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.057 15.405 -18.362 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -20.393 17.577 -19.424 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -22.085 17.790 -19.827 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -21.651 16.994 -17.023 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -20.874 18.508 -17.440 1.00 0.00 H new ATOM 1652 N SER A 102 -23.745 15.435 -20.259 1.00 0.00 N ATOM 1653 CA SER A 102 -24.683 15.132 -21.333 1.00 0.00 C ATOM 1654 C SER A 102 -25.047 16.393 -22.110 1.00 0.00 C ATOM 1655 O SER A 102 -25.991 17.096 -21.689 1.00 0.00 O ATOM 1656 CB SER A 102 -25.948 14.486 -20.765 1.00 0.00 C ATOM 1657 OG SER A 102 -25.634 13.586 -19.717 1.00 0.00 O ATOM 1658 OXT SER A 102 -24.385 16.670 -23.132 1.00 0.00 O ATOM 0 H SER A 102 -24.182 15.625 -19.357 1.00 0.00 H new ATOM 0 HA SER A 102 -24.201 14.433 -22.016 1.00 0.00 H new ATOM 0 HB2 SER A 102 -26.621 15.260 -20.395 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.477 13.956 -21.557 1.00 0.00 H new ATOM 0 HG SER A 102 -26.459 13.188 -19.370 1.00 0.00 H new TER 1664 SER A 102