USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 970 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 70 HIS : no HD1:sc= -0.658 K(o=-1.8,f=-1.3) USER MOD Set 1.2: A 95 HIS : no HE2:sc= -1.19 X(o=-1.8,f=-1.4) USER MOD Set 2.1: A 35 ASN : amide:sc= 1.12 K(o=2.1,f=-4.5) USER MOD Set 2.2: A 38 LYS NZ :NH3+ -135:sc= 0.985 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -154:sc= -0.229 (180deg=-1.2) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 9 SER OG : rot -40:sc= 0.0134 USER MOD Single : A 11 ASN : amide:sc= -0.304 K(o=-0.3,f=-0.87) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -143:sc= 1.22 (180deg=0.677) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0.551 (180deg=0.455) USER MOD Single : A 23 MET CE :methyl -151:sc=-0.00694 (180deg=-0.881) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -115:sc= 1.28 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 11:sc= 1.11 USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 0.989 (180deg=0.951) USER MOD Single : A 45 ASN : amide:sc= 0.911 K(o=0.91,f=-4) USER MOD Single : A 48 THR OG1 : rot -57:sc= 0.736 USER MOD Single : A 53 MET CE :methyl 173:sc= -0.102 (180deg=-0.247) USER MOD Single : A 56 SER OG : rot 67:sc= 0.0689 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.657 K(o=0.66,f=0) USER MOD Single : A 61 MET CE :methyl 180:sc= -0.142 (180deg=-0.142) USER MOD Single : A 67 ASN : amide:sc= -0.0463 X(o=-0.046,f=-0.12) USER MOD Single : A 69 HIS : no HD1:sc= 0.113 K(o=0.11,f=-1.7) USER MOD Single : A 72 ASN : amide:sc= 0.96 K(o=0.96,f=-0.21) USER MOD Single : A 74 MET CE :methyl 137:sc= -0.35 (180deg=-1.29) USER MOD Single : A 78 LYS NZ :NH3+ 148:sc= 1.02 (180deg=-0.144) USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00652) USER MOD Single : A 80 HIS : no HE2:sc= -0.417 K(o=-0.42,f=-4.4!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 160:sc= -0.064 (180deg=-1.03) USER MOD Single : A 88 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.39) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 99 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0156) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -170:sc= -0.0217 USER MOD Single : A 104 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.2) USER MOD Single : A 107 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.23) USER MOD Single : A 111 THR OG1 : rot 20:sc= 0.198 USER MOD Single : A 116 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 119 LYS NZ :NH3+ -168:sc= 1.03 (180deg=0.934) USER MOD Single : A 123 HIS : no HD1:sc= -0.588 X(o=-0.59,f=-0.53) USER MOD Single : A 124 LYS NZ :NH3+ -155:sc= 0.0389 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.363 K(o=-0.36,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.430 -6.939 2.893 1.00 0.00 N ATOM 2 CA SER A 1 14.245 -8.397 2.974 1.00 0.00 C ATOM 3 C SER A 1 12.777 -8.753 3.252 1.00 0.00 C ATOM 4 O SER A 1 12.008 -7.886 3.670 1.00 0.00 O ATOM 5 CB SER A 1 15.167 -8.937 4.065 1.00 0.00 C ATOM 6 OG SER A 1 16.510 -8.625 3.751 1.00 0.00 O ATOM 0 H1 SER A 1 15.257 -6.726 2.299 1.00 0.00 H new ATOM 0 H2 SER A 1 13.583 -6.504 2.475 1.00 0.00 H new ATOM 0 H3 SER A 1 14.582 -6.555 3.847 1.00 0.00 H new ATOM 0 HA SER A 1 14.502 -8.857 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.899 -8.504 5.029 1.00 0.00 H new ATOM 0 HB3 SER A 1 15.046 -10.016 4.156 1.00 0.00 H new ATOM 0 HG SER A 1 17.099 -8.971 4.454 1.00 0.00 H new ATOM 12 N GLN A 2 12.369 -10.015 3.057 1.00 0.00 N ATOM 13 CA GLN A 2 11.010 -10.505 3.319 1.00 0.00 C ATOM 14 C GLN A 2 10.561 -10.241 4.755 1.00 0.00 C ATOM 15 O GLN A 2 9.428 -9.815 4.954 1.00 0.00 O ATOM 16 CB GLN A 2 10.872 -12.005 2.980 1.00 0.00 C ATOM 17 CG GLN A 2 10.100 -12.249 1.671 1.00 0.00 C ATOM 18 CD GLN A 2 10.613 -13.459 0.887 1.00 0.00 C ATOM 19 OE1 GLN A 2 11.811 -13.565 0.636 1.00 0.00 O ATOM 20 NE2 GLN A 2 9.756 -14.345 0.418 1.00 0.00 N ATOM 0 H GLN A 2 12.992 -10.741 2.704 1.00 0.00 H new ATOM 0 HA GLN A 2 10.351 -9.940 2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.865 -12.448 2.900 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.362 -12.513 3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.044 -12.394 1.901 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.171 -11.361 1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.762 -14.254 0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.087 -15.121 -0.155 1.00 0.00 H new ATOM 29 N GLU A 3 11.434 -10.436 5.744 1.00 0.00 N ATOM 30 CA GLU A 3 11.116 -10.249 7.161 1.00 0.00 C ATOM 31 C GLU A 3 10.519 -8.855 7.408 1.00 0.00 C ATOM 32 O GLU A 3 9.445 -8.694 8.000 1.00 0.00 O ATOM 33 CB GLU A 3 12.405 -10.446 7.983 1.00 0.00 C ATOM 34 CG GLU A 3 12.109 -10.498 9.488 1.00 0.00 C ATOM 35 CD GLU A 3 13.350 -10.663 10.376 1.00 0.00 C ATOM 36 OE1 GLU A 3 14.277 -11.449 10.057 1.00 0.00 O ATOM 37 OE2 GLU A 3 13.357 -10.057 11.466 1.00 0.00 O ATOM 0 H GLU A 3 12.396 -10.733 5.581 1.00 0.00 H new ATOM 0 HA GLU A 3 10.369 -10.981 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.896 -11.369 7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.099 -9.631 7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.591 -9.583 9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.426 -11.325 9.683 1.00 0.00 H new ATOM 44 N VAL A 4 11.234 -7.836 6.932 1.00 0.00 N ATOM 45 CA VAL A 4 10.816 -6.451 7.069 1.00 0.00 C ATOM 46 C VAL A 4 9.607 -6.157 6.205 1.00 0.00 C ATOM 47 O VAL A 4 8.644 -5.563 6.676 1.00 0.00 O ATOM 48 CB VAL A 4 11.982 -5.500 6.803 1.00 0.00 C ATOM 49 CG1 VAL A 4 12.878 -5.796 5.604 1.00 0.00 C ATOM 50 CG2 VAL A 4 11.505 -4.047 6.762 1.00 0.00 C ATOM 0 H VAL A 4 12.120 -7.953 6.441 1.00 0.00 H new ATOM 0 HA VAL A 4 10.505 -6.283 8.100 1.00 0.00 H new ATOM 0 HB VAL A 4 12.635 -5.679 7.658 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.661 -5.040 5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.332 -6.780 5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.282 -5.780 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.354 -3.391 6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.769 -3.928 5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.052 -3.786 7.718 1.00 0.00 H new ATOM 60 N MET A 5 9.660 -6.569 4.948 1.00 0.00 N ATOM 61 CA MET A 5 8.602 -6.426 3.977 1.00 0.00 C ATOM 62 C MET A 5 7.252 -6.878 4.554 1.00 0.00 C ATOM 63 O MET A 5 6.305 -6.090 4.574 1.00 0.00 O ATOM 64 CB MET A 5 9.006 -7.186 2.704 1.00 0.00 C ATOM 65 CG MET A 5 8.194 -6.671 1.557 1.00 0.00 C ATOM 66 SD MET A 5 9.089 -5.431 0.610 1.00 0.00 S ATOM 67 CE MET A 5 7.621 -4.670 -0.066 1.00 0.00 C ATOM 0 H MET A 5 10.484 -7.033 4.565 1.00 0.00 H new ATOM 0 HA MET A 5 8.463 -5.377 3.717 1.00 0.00 H new ATOM 0 HB2 MET A 5 10.069 -7.050 2.505 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.840 -8.255 2.834 1.00 0.00 H new ATOM 0 HG2 MET A 5 7.920 -7.500 0.904 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.265 -6.241 1.933 1.00 0.00 H new ATOM 0 HE1 MET A 5 7.906 -3.841 -0.714 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.063 -5.406 -0.644 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.997 -4.297 0.747 1.00 0.00 H new ATOM 77 N LYS A 6 7.170 -8.096 5.103 1.00 0.00 N ATOM 78 CA LYS A 6 5.962 -8.589 5.755 1.00 0.00 C ATOM 79 C LYS A 6 5.525 -7.642 6.869 1.00 0.00 C ATOM 80 O LYS A 6 4.336 -7.340 6.952 1.00 0.00 O ATOM 81 CB LYS A 6 6.186 -10.016 6.289 1.00 0.00 C ATOM 82 CG LYS A 6 4.939 -10.508 7.044 1.00 0.00 C ATOM 83 CD LYS A 6 5.096 -11.922 7.595 1.00 0.00 C ATOM 84 CE LYS A 6 3.893 -12.198 8.503 1.00 0.00 C ATOM 85 NZ LYS A 6 3.913 -13.559 9.056 1.00 0.00 N ATOM 0 H LYS A 6 7.942 -8.763 5.105 1.00 0.00 H new ATOM 0 HA LYS A 6 5.159 -8.626 5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.408 -10.690 5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.050 -10.031 6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.726 -9.825 7.866 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.080 -10.478 6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.138 -12.648 6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.027 -12.015 8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.884 -11.476 9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.973 -12.051 7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.080 -13.699 9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.895 -14.250 8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.778 -13.693 9.618 1.00 0.00 H new ATOM 99 N ASN A 7 6.446 -7.221 7.740 1.00 0.00 N ATOM 100 CA ASN A 7 6.162 -6.401 8.920 1.00 0.00 C ATOM 101 C ASN A 7 5.709 -4.989 8.554 1.00 0.00 C ATOM 102 O ASN A 7 4.864 -4.402 9.231 1.00 0.00 O ATOM 103 CB ASN A 7 7.434 -6.279 9.755 1.00 0.00 C ATOM 104 CG ASN A 7 7.193 -5.604 11.103 1.00 0.00 C ATOM 105 OD1 ASN A 7 6.166 -5.779 11.756 1.00 0.00 O ATOM 106 ND2 ASN A 7 8.138 -4.803 11.551 1.00 0.00 N ATOM 0 H ASN A 7 7.436 -7.447 7.641 1.00 0.00 H new ATOM 0 HA ASN A 7 5.357 -6.891 9.469 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.851 -7.272 9.920 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.177 -5.710 9.196 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.020 -4.324 12.444 1.00 0.00 H new ATOM 0 HD22 ASN A 7 8.988 -4.662 11.005 1.00 0.00 H new ATOM 113 N LEU A 8 6.263 -4.427 7.482 1.00 0.00 N ATOM 114 CA LEU A 8 5.815 -3.185 6.876 1.00 0.00 C ATOM 115 C LEU A 8 4.378 -3.390 6.437 1.00 0.00 C ATOM 116 O LEU A 8 3.485 -2.678 6.884 1.00 0.00 O ATOM 117 CB LEU A 8 6.691 -2.838 5.663 1.00 0.00 C ATOM 118 CG LEU A 8 8.019 -2.169 6.020 1.00 0.00 C ATOM 119 CD1 LEU A 8 8.958 -2.180 4.811 1.00 0.00 C ATOM 120 CD2 LEU A 8 7.792 -0.721 6.454 1.00 0.00 C ATOM 0 H LEU A 8 7.061 -4.840 6.999 1.00 0.00 H new ATOM 0 HA LEU A 8 5.889 -2.363 7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.896 -3.751 5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.131 -2.178 5.001 1.00 0.00 H new ATOM 0 HG LEU A 8 8.467 -2.728 6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.900 -1.701 5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.148 -3.209 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.496 -1.637 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.748 -0.262 6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.325 -0.166 5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.141 -0.701 7.328 1.00 0.00 H new ATOM 132 N SER A 9 4.147 -4.424 5.632 1.00 0.00 N ATOM 133 CA SER A 9 2.847 -4.861 5.158 1.00 0.00 C ATOM 134 C SER A 9 1.926 -5.359 6.291 1.00 0.00 C ATOM 135 O SER A 9 0.838 -5.862 6.014 1.00 0.00 O ATOM 136 CB SER A 9 3.118 -5.936 4.090 1.00 0.00 C ATOM 137 OG SER A 9 2.032 -6.117 3.207 1.00 0.00 O ATOM 0 H SER A 9 4.905 -5.007 5.277 1.00 0.00 H new ATOM 0 HA SER A 9 2.295 -4.024 4.731 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.003 -5.658 3.518 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.341 -6.882 4.582 1.00 0.00 H new ATOM 0 HG SER A 9 1.192 -6.083 3.710 1.00 0.00 H new ATOM 143 N LEU A 10 2.352 -5.332 7.558 1.00 0.00 N ATOM 144 CA LEU A 10 1.593 -5.753 8.732 1.00 0.00 C ATOM 145 C LEU A 10 1.126 -4.506 9.455 1.00 0.00 C ATOM 146 O LEU A 10 -0.062 -4.298 9.707 1.00 0.00 O ATOM 147 CB LEU A 10 2.469 -6.658 9.613 1.00 0.00 C ATOM 148 CG LEU A 10 1.713 -7.221 10.822 1.00 0.00 C ATOM 149 CD1 LEU A 10 2.171 -8.656 11.078 1.00 0.00 C ATOM 150 CD2 LEU A 10 1.921 -6.381 12.093 1.00 0.00 C ATOM 0 H LEU A 10 3.285 -4.998 7.801 1.00 0.00 H new ATOM 0 HA LEU A 10 0.716 -6.339 8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.850 -7.484 9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.333 -6.092 9.962 1.00 0.00 H new ATOM 0 HG LEU A 10 0.649 -7.192 10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.636 -9.061 11.937 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.962 -9.267 10.200 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.242 -8.666 11.280 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.363 -6.825 12.918 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.982 -6.357 12.344 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.566 -5.365 11.920 1.00 0.00 H new ATOM 162 N ASN A 11 2.093 -3.647 9.755 1.00 0.00 N ATOM 163 CA ASN A 11 1.893 -2.340 10.354 1.00 0.00 C ATOM 164 C ASN A 11 1.049 -1.448 9.468 1.00 0.00 C ATOM 165 O ASN A 11 0.204 -0.721 9.976 1.00 0.00 O ATOM 166 CB ASN A 11 3.254 -1.704 10.606 1.00 0.00 C ATOM 167 CG ASN A 11 3.787 -2.192 11.939 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.354 -1.730 12.995 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.612 -3.223 11.928 1.00 0.00 N ATOM 0 H ASN A 11 3.076 -3.854 9.579 1.00 0.00 H new ATOM 0 HA ASN A 11 1.357 -2.460 11.295 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.946 -1.965 9.805 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.167 -0.617 10.610 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.903 -3.653 12.806 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.958 -3.590 11.041 1.00 0.00 H new ATOM 176 N PHE A 12 1.224 -1.558 8.151 1.00 0.00 N ATOM 177 CA PHE A 12 0.449 -0.841 7.156 1.00 0.00 C ATOM 178 C PHE A 12 -1.046 -0.936 7.456 1.00 0.00 C ATOM 179 O PHE A 12 -1.714 0.087 7.545 1.00 0.00 O ATOM 180 CB PHE A 12 0.804 -1.371 5.764 1.00 0.00 C ATOM 181 CG PHE A 12 -0.126 -0.896 4.664 1.00 0.00 C ATOM 182 CD1 PHE A 12 0.102 0.339 4.031 1.00 0.00 C ATOM 183 CD2 PHE A 12 -1.240 -1.671 4.287 1.00 0.00 C ATOM 184 CE1 PHE A 12 -0.788 0.813 3.054 1.00 0.00 C ATOM 185 CE2 PHE A 12 -2.103 -1.223 3.273 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.880 0.024 2.670 1.00 0.00 C ATOM 0 H PHE A 12 1.932 -2.168 7.742 1.00 0.00 H new ATOM 0 HA PHE A 12 0.699 0.220 7.188 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.822 -1.067 5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.793 -2.461 5.788 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.968 0.927 4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.431 -2.613 4.779 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.632 1.781 2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.935 -1.836 2.959 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.555 0.378 1.905 1.00 0.00 H new ATOM 196 N GLY A 13 -1.558 -2.145 7.701 1.00 0.00 N ATOM 197 CA GLY A 13 -2.977 -2.386 7.911 1.00 0.00 C ATOM 198 C GLY A 13 -3.448 -2.198 9.355 1.00 0.00 C ATOM 199 O GLY A 13 -4.564 -2.603 9.675 1.00 0.00 O ATOM 0 H GLY A 13 -0.988 -2.989 7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.545 -1.715 7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.210 -3.403 7.596 1.00 0.00 H new ATOM 203 N LYS A 14 -2.638 -1.624 10.255 1.00 0.00 N ATOM 204 CA LYS A 14 -2.967 -1.528 11.684 1.00 0.00 C ATOM 205 C LYS A 14 -4.285 -0.810 11.942 1.00 0.00 C ATOM 206 O LYS A 14 -5.079 -1.278 12.761 1.00 0.00 O ATOM 207 CB LYS A 14 -1.818 -0.851 12.450 1.00 0.00 C ATOM 208 CG LYS A 14 -0.714 -1.869 12.759 1.00 0.00 C ATOM 209 CD LYS A 14 -1.033 -2.584 14.069 1.00 0.00 C ATOM 210 CE LYS A 14 -0.518 -4.022 14.135 1.00 0.00 C ATOM 211 NZ LYS A 14 -1.402 -4.856 14.976 1.00 0.00 N ATOM 0 H LYS A 14 -1.736 -1.213 10.013 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.094 -2.546 12.051 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.411 -0.031 11.859 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.194 -0.419 13.377 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.634 -2.592 11.948 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.250 -1.365 12.833 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.603 -2.017 14.894 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.113 -2.589 14.214 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.463 -4.440 13.130 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.494 -4.033 14.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.035 -5.828 15.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.433 -4.466 15.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.361 -4.861 14.573 1.00 0.00 H new ATOM 225 N ALA A 15 -4.536 0.281 11.221 1.00 0.00 N ATOM 226 CA ALA A 15 -5.714 1.120 11.393 1.00 0.00 C ATOM 227 C ALA A 15 -6.824 0.786 10.380 1.00 0.00 C ATOM 228 O ALA A 15 -7.689 1.621 10.122 1.00 0.00 O ATOM 229 CB ALA A 15 -5.280 2.585 11.318 1.00 0.00 C ATOM 0 H ALA A 15 -3.911 0.611 10.486 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.154 0.925 12.371 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.150 3.229 11.445 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.558 2.791 12.108 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.823 2.780 10.348 1.00 0.00 H new ATOM 235 N LEU A 16 -6.802 -0.410 9.776 1.00 0.00 N ATOM 236 CA LEU A 16 -7.780 -0.849 8.778 1.00 0.00 C ATOM 237 C LEU A 16 -9.194 -0.674 9.308 1.00 0.00 C ATOM 238 O LEU A 16 -10.018 -0.097 8.607 1.00 0.00 O ATOM 239 CB LEU A 16 -7.526 -2.335 8.444 1.00 0.00 C ATOM 240 CG LEU A 16 -8.555 -2.967 7.479 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.101 -2.807 6.033 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.751 -4.455 7.782 1.00 0.00 C ATOM 0 H LEU A 16 -6.088 -1.112 9.973 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.672 -0.244 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.532 -2.430 8.006 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.521 -2.906 9.372 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.502 -2.448 7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.838 -3.258 5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.001 -1.747 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.139 -3.301 5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.480 -4.875 7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.801 -4.977 7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.112 -4.574 8.804 1.00 0.00 H new ATOM 254 N ASP A 17 -9.494 -1.185 10.500 1.00 0.00 N ATOM 255 CA ASP A 17 -10.857 -1.153 11.030 1.00 0.00 C ATOM 256 C ASP A 17 -11.279 0.276 11.328 1.00 0.00 C ATOM 257 O ASP A 17 -12.431 0.632 11.127 1.00 0.00 O ATOM 258 CB ASP A 17 -10.934 -1.954 12.333 1.00 0.00 C ATOM 259 CG ASP A 17 -12.341 -2.499 12.554 1.00 0.00 C ATOM 260 OD1 ASP A 17 -13.025 -2.796 11.554 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.745 -2.769 13.700 1.00 0.00 O ATOM 0 H ASP A 17 -8.813 -1.626 11.118 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.519 -1.586 10.280 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.221 -2.778 12.301 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.649 -1.319 13.172 1.00 0.00 H new ATOM 266 N GLU A 18 -10.341 1.120 11.753 1.00 0.00 N ATOM 267 CA GLU A 18 -10.611 2.544 11.930 1.00 0.00 C ATOM 268 C GLU A 18 -11.070 3.133 10.607 1.00 0.00 C ATOM 269 O GLU A 18 -12.205 3.586 10.525 1.00 0.00 O ATOM 270 CB GLU A 18 -9.434 3.312 12.531 1.00 0.00 C ATOM 271 CG GLU A 18 -9.054 2.773 13.911 1.00 0.00 C ATOM 272 CD GLU A 18 -10.235 2.697 14.887 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.986 1.693 14.838 1.00 0.00 O ATOM 274 OE2 GLU A 18 -10.443 3.633 15.689 1.00 0.00 O ATOM 0 H GLU A 18 -9.387 0.841 11.981 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.411 2.648 12.663 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.575 3.242 11.864 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.691 4.368 12.611 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.623 1.778 13.797 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.280 3.409 14.340 1.00 0.00 H new ATOM 281 N CYS A 19 -10.239 3.054 9.566 1.00 0.00 N ATOM 282 CA CYS A 19 -10.566 3.497 8.214 1.00 0.00 C ATOM 283 C CYS A 19 -11.890 2.890 7.727 1.00 0.00 C ATOM 284 O CYS A 19 -12.712 3.599 7.153 1.00 0.00 O ATOM 285 CB CYS A 19 -9.390 3.113 7.298 1.00 0.00 C ATOM 286 SG CYS A 19 -7.846 4.009 7.591 1.00 0.00 S ATOM 0 H CYS A 19 -9.297 2.670 9.644 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.709 4.577 8.198 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.197 2.046 7.412 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.692 3.274 6.263 1.00 0.00 H new ATOM 291 N LYS A 20 -12.148 1.602 7.982 1.00 0.00 N ATOM 292 CA LYS A 20 -13.393 0.953 7.644 1.00 0.00 C ATOM 293 C LYS A 20 -14.548 1.682 8.310 1.00 0.00 C ATOM 294 O LYS A 20 -15.428 2.173 7.615 1.00 0.00 O ATOM 295 CB LYS A 20 -13.364 -0.502 8.111 1.00 0.00 C ATOM 296 CG LYS A 20 -12.596 -1.514 7.248 1.00 0.00 C ATOM 297 CD LYS A 20 -12.370 -2.877 7.939 1.00 0.00 C ATOM 298 CE LYS A 20 -13.684 -3.326 8.576 1.00 0.00 C ATOM 299 NZ LYS A 20 -13.607 -4.457 9.520 1.00 0.00 N ATOM 0 H LYS A 20 -11.478 0.982 8.437 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.527 0.978 6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.937 -0.524 9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.394 -0.847 8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.143 -1.674 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.629 -1.089 6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.029 -3.616 7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.592 -2.792 8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.118 -2.474 9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.375 -3.595 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.449 -5.058 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.754 -5.018 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.564 -4.094 10.494 1.00 0.00 H new ATOM 313 N LYS A 21 -14.565 1.730 9.638 1.00 0.00 N ATOM 314 CA LYS A 21 -15.668 2.274 10.414 1.00 0.00 C ATOM 315 C LYS A 21 -15.878 3.753 10.082 1.00 0.00 C ATOM 316 O LYS A 21 -17.015 4.186 9.938 1.00 0.00 O ATOM 317 CB LYS A 21 -15.385 2.019 11.893 1.00 0.00 C ATOM 318 CG LYS A 21 -15.742 0.572 12.261 1.00 0.00 C ATOM 319 CD LYS A 21 -14.829 -0.078 13.299 1.00 0.00 C ATOM 320 CE LYS A 21 -14.705 0.619 14.662 1.00 0.00 C ATOM 321 NZ LYS A 21 -13.688 1.697 14.696 1.00 0.00 N ATOM 0 H LYS A 21 -13.797 1.385 10.214 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.606 1.779 10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.333 2.207 12.107 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.963 2.711 12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.765 0.551 12.636 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.723 -0.032 11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.183 -1.094 13.471 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.831 -0.157 12.868 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.674 1.038 14.934 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.456 -0.125 15.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.589 2.051 15.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.774 1.323 14.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.986 2.475 14.073 1.00 0.00 H new ATOM 335 N GLU A 22 -14.788 4.510 9.936 1.00 0.00 N ATOM 336 CA GLU A 22 -14.748 5.924 9.588 1.00 0.00 C ATOM 337 C GLU A 22 -15.456 6.203 8.262 1.00 0.00 C ATOM 338 O GLU A 22 -16.270 7.120 8.182 1.00 0.00 O ATOM 339 CB GLU A 22 -13.266 6.324 9.503 1.00 0.00 C ATOM 340 CG GLU A 22 -12.611 6.516 10.881 1.00 0.00 C ATOM 341 CD GLU A 22 -12.856 7.882 11.515 1.00 0.00 C ATOM 342 OE1 GLU A 22 -13.569 8.714 10.922 1.00 0.00 O ATOM 343 OE2 GLU A 22 -12.381 8.119 12.650 1.00 0.00 O ATOM 0 H GLU A 22 -13.853 4.123 10.067 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.272 6.508 10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.720 5.558 8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.178 7.249 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.982 5.745 11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.536 6.363 10.783 1.00 0.00 H new ATOM 350 N MET A 23 -15.121 5.449 7.212 1.00 0.00 N ATOM 351 CA MET A 23 -15.534 5.739 5.840 1.00 0.00 C ATOM 352 C MET A 23 -16.740 4.886 5.417 1.00 0.00 C ATOM 353 O MET A 23 -17.263 5.053 4.314 1.00 0.00 O ATOM 354 CB MET A 23 -14.334 5.472 4.915 1.00 0.00 C ATOM 355 CG MET A 23 -13.078 6.288 5.272 1.00 0.00 C ATOM 356 SD MET A 23 -11.500 5.474 4.904 1.00 0.00 S ATOM 357 CE MET A 23 -11.433 5.553 3.108 1.00 0.00 C ATOM 0 H MET A 23 -14.548 4.609 7.294 1.00 0.00 H new ATOM 0 HA MET A 23 -15.846 6.781 5.770 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.088 4.411 4.952 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.622 5.697 3.888 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.114 7.235 4.734 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.108 6.524 6.336 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.859 4.708 2.728 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.445 5.516 2.704 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.954 6.483 2.802 1.00 0.00 H new ATOM 367 N THR A 24 -17.182 3.954 6.266 1.00 0.00 N ATOM 368 CA THR A 24 -17.833 2.708 5.872 1.00 0.00 C ATOM 369 C THR A 24 -17.161 2.100 4.646 1.00 0.00 C ATOM 370 O THR A 24 -17.598 2.241 3.494 1.00 0.00 O ATOM 371 CB THR A 24 -19.353 2.840 5.783 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.829 3.158 7.075 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.019 1.540 5.313 1.00 0.00 C ATOM 0 H THR A 24 -17.092 4.052 7.277 1.00 0.00 H new ATOM 0 HA THR A 24 -17.688 1.980 6.670 1.00 0.00 H new ATOM 0 HB THR A 24 -19.597 3.614 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.804 3.251 7.051 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.099 1.681 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.643 1.275 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.789 0.739 6.015 1.00 0.00 H new ATOM 381 N LEU A 25 -16.084 1.377 4.929 1.00 0.00 N ATOM 382 CA LEU A 25 -15.612 0.309 4.071 1.00 0.00 C ATOM 383 C LEU A 25 -16.151 -0.993 4.650 1.00 0.00 C ATOM 384 O LEU A 25 -16.917 -0.999 5.615 1.00 0.00 O ATOM 385 CB LEU A 25 -14.078 0.306 3.959 1.00 0.00 C ATOM 386 CG LEU A 25 -13.475 1.712 3.777 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.968 1.613 3.565 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.087 2.467 2.591 1.00 0.00 C ATOM 0 H LEU A 25 -15.515 1.519 5.764 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.972 0.445 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.657 -0.149 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.784 -0.319 3.116 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.701 2.268 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.552 2.612 3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.509 1.137 4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.764 1.019 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.626 3.451 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.911 1.906 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.160 2.581 2.747 1.00 0.00 H new ATOM 400 N THR A 26 -15.751 -2.092 4.049 1.00 0.00 N ATOM 401 CA THR A 26 -16.280 -3.419 4.266 1.00 0.00 C ATOM 402 C THR A 26 -15.259 -4.239 5.046 1.00 0.00 C ATOM 403 O THR A 26 -14.152 -3.776 5.321 1.00 0.00 O ATOM 404 CB THR A 26 -16.612 -3.940 2.854 1.00 0.00 C ATOM 405 OG1 THR A 26 -15.575 -3.623 1.929 1.00 0.00 O ATOM 406 CG2 THR A 26 -17.890 -3.268 2.363 1.00 0.00 C ATOM 0 H THR A 26 -15.004 -2.082 3.355 1.00 0.00 H new ATOM 0 HA THR A 26 -17.182 -3.466 4.876 1.00 0.00 H new ATOM 0 HB THR A 26 -16.726 -5.022 2.913 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.918 -3.001 1.254 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.132 -3.632 1.364 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.709 -3.503 3.043 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.744 -2.188 2.331 1.00 0.00 H new ATOM 414 N ASP A 27 -15.604 -5.468 5.406 1.00 0.00 N ATOM 415 CA ASP A 27 -14.652 -6.472 5.807 1.00 0.00 C ATOM 416 C ASP A 27 -14.243 -7.358 4.643 1.00 0.00 C ATOM 417 O ASP A 27 -13.264 -8.084 4.735 1.00 0.00 O ATOM 418 CB ASP A 27 -15.248 -7.263 6.944 1.00 0.00 C ATOM 419 CG ASP A 27 -16.038 -8.513 6.580 1.00 0.00 C ATOM 420 OD1 ASP A 27 -17.128 -8.385 5.983 1.00 0.00 O ATOM 421 OD2 ASP A 27 -15.655 -9.607 7.045 1.00 0.00 O ATOM 0 H ASP A 27 -16.571 -5.792 5.425 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.734 -5.992 6.146 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.439 -7.557 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.904 -6.601 7.509 1.00 0.00 H new ATOM 426 N ALA A 28 -14.923 -7.242 3.510 1.00 0.00 N ATOM 427 CA ALA A 28 -14.520 -7.930 2.296 1.00 0.00 C ATOM 428 C ALA A 28 -13.132 -7.478 1.805 1.00 0.00 C ATOM 429 O ALA A 28 -12.396 -8.299 1.259 1.00 0.00 O ATOM 430 CB ALA A 28 -15.588 -7.691 1.228 1.00 0.00 C ATOM 0 H ALA A 28 -15.763 -6.672 3.409 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.434 -8.996 2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.303 -8.201 0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.545 -8.080 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.679 -6.622 1.037 1.00 0.00 H new ATOM 436 N ILE A 29 -12.732 -6.218 2.033 1.00 0.00 N ATOM 437 CA ILE A 29 -11.357 -5.761 1.774 1.00 0.00 C ATOM 438 C ILE A 29 -10.342 -6.515 2.631 1.00 0.00 C ATOM 439 O ILE A 29 -9.188 -6.639 2.232 1.00 0.00 O ATOM 440 CB ILE A 29 -11.155 -4.248 2.017 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.482 -3.863 3.472 1.00 0.00 C ATOM 442 CG2 ILE A 29 -11.942 -3.405 1.007 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.322 -2.381 3.792 1.00 0.00 C ATOM 0 H ILE A 29 -13.347 -5.491 2.399 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.193 -5.968 0.716 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.099 -4.027 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.508 -4.159 3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.837 -4.436 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.776 -2.347 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.605 -3.639 -0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.005 -3.629 1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.574 -2.205 4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.290 -2.079 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.987 -1.797 3.156 1.00 0.00 H new ATOM 455 N ASN A 30 -10.758 -7.013 3.800 1.00 0.00 N ATOM 456 CA ASN A 30 -9.893 -7.763 4.693 1.00 0.00 C ATOM 457 C ASN A 30 -9.422 -9.012 3.965 1.00 0.00 C ATOM 458 O ASN A 30 -8.301 -9.445 4.188 1.00 0.00 O ATOM 459 CB ASN A 30 -10.645 -8.136 5.980 1.00 0.00 C ATOM 460 CG ASN A 30 -9.793 -8.369 7.218 1.00 0.00 C ATOM 461 OD1 ASN A 30 -8.562 -8.314 7.207 1.00 0.00 O ATOM 462 ND2 ASN A 30 -10.474 -8.547 8.339 1.00 0.00 N ATOM 0 H ASN A 30 -11.710 -6.902 4.148 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.033 -7.156 4.977 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.359 -7.342 6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.223 -9.040 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.980 -8.643 9.226 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.493 -8.588 8.316 1.00 0.00 H new ATOM 469 N GLU A 31 -10.244 -9.561 3.064 1.00 0.00 N ATOM 470 CA GLU A 31 -9.889 -10.684 2.214 1.00 0.00 C ATOM 471 C GLU A 31 -8.951 -10.261 1.086 1.00 0.00 C ATOM 472 O GLU A 31 -7.939 -10.921 0.877 1.00 0.00 O ATOM 473 CB GLU A 31 -11.150 -11.342 1.633 1.00 0.00 C ATOM 474 CG GLU A 31 -11.200 -12.830 2.000 1.00 0.00 C ATOM 475 CD GLU A 31 -11.587 -13.704 0.812 1.00 0.00 C ATOM 476 OE1 GLU A 31 -10.836 -13.730 -0.191 1.00 0.00 O ATOM 477 OE2 GLU A 31 -12.636 -14.384 0.893 1.00 0.00 O ATOM 0 H GLU A 31 -11.194 -9.224 2.908 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.363 -11.410 2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.038 -10.838 2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.159 -11.229 0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.226 -13.142 2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.917 -12.979 2.807 1.00 0.00 H new ATOM 484 N ASP A 32 -9.236 -9.155 0.392 1.00 0.00 N ATOM 485 CA ASP A 32 -8.370 -8.607 -0.667 1.00 0.00 C ATOM 486 C ASP A 32 -6.986 -8.225 -0.110 1.00 0.00 C ATOM 487 O ASP A 32 -6.038 -8.031 -0.874 1.00 0.00 O ATOM 488 CB ASP A 32 -9.000 -7.350 -1.283 1.00 0.00 C ATOM 489 CG ASP A 32 -10.198 -7.577 -2.212 1.00 0.00 C ATOM 490 OD1 ASP A 32 -10.005 -8.092 -3.342 1.00 0.00 O ATOM 491 OD2 ASP A 32 -11.331 -7.213 -1.829 1.00 0.00 O ATOM 0 H ASP A 32 -10.082 -8.606 0.548 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.259 -9.383 -1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.315 -6.693 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.229 -6.820 -1.842 1.00 0.00 H new ATOM 496 N PHE A 33 -6.853 -8.089 1.214 1.00 0.00 N ATOM 497 CA PHE A 33 -5.606 -7.878 1.931 1.00 0.00 C ATOM 498 C PHE A 33 -5.016 -9.183 2.468 1.00 0.00 C ATOM 499 O PHE A 33 -3.816 -9.406 2.305 1.00 0.00 O ATOM 500 CB PHE A 33 -5.870 -6.891 3.074 1.00 0.00 C ATOM 501 CG PHE A 33 -6.018 -5.439 2.661 1.00 0.00 C ATOM 502 CD1 PHE A 33 -5.106 -4.839 1.768 1.00 0.00 C ATOM 503 CD2 PHE A 33 -7.030 -4.656 3.243 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.218 -3.475 1.452 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.159 -3.297 2.904 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.245 -2.703 2.020 1.00 0.00 C ATOM 0 H PHE A 33 -7.658 -8.126 1.840 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.868 -7.472 1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.778 -7.197 3.593 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.053 -6.965 3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.318 -5.431 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.711 -5.100 3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.514 -3.019 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.962 -2.710 3.324 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.331 -1.654 1.777 1.00 0.00 H new ATOM 516 N TYR A 34 -5.806 -10.027 3.127 1.00 0.00 N ATOM 517 CA TYR A 34 -5.396 -11.315 3.682 1.00 0.00 C ATOM 518 C TYR A 34 -4.913 -12.254 2.580 1.00 0.00 C ATOM 519 O TYR A 34 -3.956 -13.002 2.785 1.00 0.00 O ATOM 520 CB TYR A 34 -6.591 -11.922 4.427 1.00 0.00 C ATOM 521 CG TYR A 34 -6.510 -13.401 4.739 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.582 -13.899 5.675 1.00 0.00 C ATOM 523 CD2 TYR A 34 -7.378 -14.287 4.075 1.00 0.00 C ATOM 524 CE1 TYR A 34 -5.509 -15.282 5.921 1.00 0.00 C ATOM 525 CE2 TYR A 34 -7.306 -15.668 4.310 1.00 0.00 C ATOM 526 CZ TYR A 34 -6.358 -16.171 5.224 1.00 0.00 C ATOM 527 OH TYR A 34 -6.261 -17.508 5.429 1.00 0.00 O ATOM 0 H TYR A 34 -6.791 -9.824 3.296 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.564 -11.170 4.371 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.719 -11.382 5.365 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.488 -11.747 3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.928 -13.220 6.202 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.107 -13.900 3.378 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.803 -15.665 6.643 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.973 -16.342 3.794 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.919 -17.973 4.871 1.00 0.00 H new ATOM 537 N ASN A 35 -5.520 -12.176 1.399 1.00 0.00 N ATOM 538 CA ASN A 35 -5.172 -12.974 0.233 1.00 0.00 C ATOM 539 C ASN A 35 -4.404 -12.155 -0.808 1.00 0.00 C ATOM 540 O ASN A 35 -4.242 -12.621 -1.929 1.00 0.00 O ATOM 541 CB ASN A 35 -6.421 -13.656 -0.363 1.00 0.00 C ATOM 542 CG ASN A 35 -7.004 -14.723 0.555 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.253 -15.519 1.121 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.319 -14.779 0.703 1.00 0.00 N ATOM 0 H ASN A 35 -6.293 -11.534 1.224 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.497 -13.765 0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.181 -12.901 -0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.161 -14.109 -1.320 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.735 -15.495 1.298 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.916 -14.106 0.222 1.00 0.00 H new ATOM 551 N PHE A 36 -3.893 -10.963 -0.473 1.00 0.00 N ATOM 552 CA PHE A 36 -3.094 -10.154 -1.396 1.00 0.00 C ATOM 553 C PHE A 36 -1.900 -10.965 -1.932 1.00 0.00 C ATOM 554 O PHE A 36 -1.666 -10.970 -3.143 1.00 0.00 O ATOM 555 CB PHE A 36 -2.651 -8.869 -0.674 1.00 0.00 C ATOM 556 CG PHE A 36 -1.867 -7.827 -1.462 1.00 0.00 C ATOM 557 CD1 PHE A 36 -0.546 -8.081 -1.880 1.00 0.00 C ATOM 558 CD2 PHE A 36 -2.418 -6.547 -1.686 1.00 0.00 C ATOM 559 CE1 PHE A 36 0.215 -7.060 -2.474 1.00 0.00 C ATOM 560 CE2 PHE A 36 -1.632 -5.519 -2.246 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.299 -5.766 -2.615 1.00 0.00 C ATOM 0 H PHE A 36 -4.023 -10.535 0.444 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.692 -9.872 -2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.545 -8.384 -0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.045 -9.162 0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.117 -9.063 -1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.448 -6.354 -1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.212 -7.277 -2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.057 -4.537 -2.392 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.319 -4.969 -3.002 1.00 0.00 H new ATOM 571 N TRP A 37 -1.175 -11.663 -1.043 1.00 0.00 N ATOM 572 CA TRP A 37 -0.046 -12.537 -1.368 1.00 0.00 C ATOM 573 C TRP A 37 -0.516 -13.971 -1.676 1.00 0.00 C ATOM 574 O TRP A 37 0.047 -14.945 -1.166 1.00 0.00 O ATOM 575 CB TRP A 37 0.998 -12.514 -0.230 1.00 0.00 C ATOM 576 CG TRP A 37 1.433 -11.167 0.254 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.244 -10.661 1.490 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.110 -10.124 -0.491 1.00 0.00 C ATOM 579 NE1 TRP A 37 1.742 -9.376 1.545 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.253 -8.974 0.334 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.582 -10.035 -1.805 1.00 0.00 C ATOM 582 CZ2 TRP A 37 2.798 -7.771 -0.143 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.147 -8.852 -2.293 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.236 -7.716 -1.472 1.00 0.00 C ATOM 0 H TRP A 37 -1.370 -11.630 -0.042 1.00 0.00 H new ATOM 0 HA TRP A 37 0.431 -12.157 -2.272 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.590 -13.065 0.617 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.881 -13.056 -0.567 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.774 -11.182 2.311 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.732 -8.794 2.383 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.509 -10.895 -2.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.878 -6.907 0.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.517 -8.812 -3.307 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.644 -6.797 -1.867 1.00 0.00 H new ATOM 595 N LYS A 38 -1.581 -14.137 -2.457 1.00 0.00 N ATOM 596 CA LYS A 38 -1.869 -15.363 -3.191 1.00 0.00 C ATOM 597 C LYS A 38 -0.959 -15.404 -4.417 1.00 0.00 C ATOM 598 O LYS A 38 -0.309 -14.425 -4.769 1.00 0.00 O ATOM 599 CB LYS A 38 -3.336 -15.301 -3.641 1.00 0.00 C ATOM 600 CG LYS A 38 -4.341 -16.194 -2.918 1.00 0.00 C ATOM 601 CD LYS A 38 -4.372 -16.107 -1.399 1.00 0.00 C ATOM 602 CE LYS A 38 -3.505 -17.095 -0.630 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.157 -17.445 0.648 1.00 0.00 N ATOM 0 H LYS A 38 -2.280 -13.408 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.701 -16.248 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.673 -14.269 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.371 -15.548 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.337 -15.956 -3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.136 -17.228 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.073 -15.099 -1.112 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.404 -16.238 -1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.346 -17.994 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.523 -16.661 -0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.455 -17.419 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.915 -16.762 0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.561 -18.401 0.581 1.00 0.00 H new ATOM 617 N GLU A 39 -1.015 -16.510 -5.154 1.00 0.00 N ATOM 618 CA GLU A 39 -0.182 -16.757 -6.330 1.00 0.00 C ATOM 619 C GLU A 39 -0.894 -16.483 -7.656 1.00 0.00 C ATOM 620 O GLU A 39 -0.501 -17.004 -8.700 1.00 0.00 O ATOM 621 CB GLU A 39 0.429 -18.163 -6.218 1.00 0.00 C ATOM 622 CG GLU A 39 -0.593 -19.324 -6.249 1.00 0.00 C ATOM 623 CD GLU A 39 -0.085 -20.563 -5.498 1.00 0.00 C ATOM 624 OE1 GLU A 39 0.525 -20.398 -4.414 1.00 0.00 O ATOM 625 OE2 GLU A 39 -0.301 -21.712 -5.947 1.00 0.00 O ATOM 0 H GLU A 39 -1.655 -17.277 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 39 0.633 -16.033 -6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.138 -18.301 -7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.997 -18.223 -5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.532 -18.992 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.806 -19.591 -7.284 1.00 0.00 H new ATOM 632 N GLY A 40 -1.907 -15.621 -7.641 1.00 0.00 N ATOM 633 CA GLY A 40 -2.644 -15.223 -8.838 1.00 0.00 C ATOM 634 C GLY A 40 -3.808 -14.267 -8.573 1.00 0.00 C ATOM 635 O GLY A 40 -4.641 -14.068 -9.461 1.00 0.00 O ATOM 0 H GLY A 40 -2.243 -15.174 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.953 -14.750 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.028 -16.118 -9.328 1.00 0.00 H new ATOM 639 N TYR A 41 -3.900 -13.677 -7.380 1.00 0.00 N ATOM 640 CA TYR A 41 -5.063 -12.914 -6.949 1.00 0.00 C ATOM 641 C TYR A 41 -5.115 -11.552 -7.620 1.00 0.00 C ATOM 642 O TYR A 41 -4.189 -10.752 -7.449 1.00 0.00 O ATOM 643 CB TYR A 41 -5.013 -12.774 -5.431 1.00 0.00 C ATOM 644 CG TYR A 41 -6.216 -12.147 -4.760 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.615 -10.823 -5.035 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.919 -12.904 -3.808 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.741 -10.285 -4.385 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.046 -12.372 -3.171 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.489 -11.075 -3.487 1.00 0.00 C ATOM 650 OH TYR A 41 -9.658 -10.630 -2.952 1.00 0.00 O ATOM 0 H TYR A 41 -3.158 -13.719 -6.681 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.970 -13.442 -7.242 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.865 -13.766 -5.004 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.135 -12.182 -5.174 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.059 -10.224 -5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.588 -13.903 -3.566 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.034 -9.263 -4.574 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.576 -12.958 -2.435 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.942 -9.816 -3.418 1.00 0.00 H new ATOM 660 N GLU A 42 -6.220 -11.251 -8.306 1.00 0.00 N ATOM 661 CA GLU A 42 -6.497 -9.954 -8.869 1.00 0.00 C ATOM 662 C GLU A 42 -7.357 -9.121 -7.936 1.00 0.00 C ATOM 663 O GLU A 42 -8.349 -9.583 -7.379 1.00 0.00 O ATOM 664 CB GLU A 42 -7.165 -10.175 -10.239 1.00 0.00 C ATOM 665 CG GLU A 42 -7.052 -8.959 -11.151 1.00 0.00 C ATOM 666 CD GLU A 42 -7.538 -9.225 -12.594 1.00 0.00 C ATOM 667 OE1 GLU A 42 -7.075 -10.196 -13.231 1.00 0.00 O ATOM 668 OE2 GLU A 42 -8.400 -8.475 -13.117 1.00 0.00 O ATOM 0 H GLU A 42 -6.959 -11.931 -8.483 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.574 -9.389 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.707 -11.035 -10.728 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.218 -10.416 -10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.632 -8.140 -10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.013 -8.632 -11.180 1.00 0.00 H new ATOM 675 N ILE A 43 -6.959 -7.866 -7.777 1.00 0.00 N ATOM 676 CA ILE A 43 -7.498 -6.935 -6.802 1.00 0.00 C ATOM 677 C ILE A 43 -8.206 -5.869 -7.625 1.00 0.00 C ATOM 678 O ILE A 43 -7.548 -5.095 -8.320 1.00 0.00 O ATOM 679 CB ILE A 43 -6.385 -6.343 -5.897 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.500 -7.425 -5.226 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.062 -5.466 -4.829 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.275 -6.880 -4.490 1.00 0.00 C ATOM 0 H ILE A 43 -6.221 -7.455 -8.349 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.185 -7.421 -6.109 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.711 -5.757 -6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.110 -7.988 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.166 -8.127 -5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.302 -5.035 -4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.619 -4.665 -5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.745 -6.075 -4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.716 -7.707 -4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.638 -6.342 -5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.597 -6.202 -3.700 1.00 0.00 H new ATOM 694 N LYS A 44 -9.540 -5.852 -7.600 1.00 0.00 N ATOM 695 CA LYS A 44 -10.334 -4.861 -8.337 1.00 0.00 C ATOM 696 C LYS A 44 -11.390 -4.195 -7.468 1.00 0.00 C ATOM 697 O LYS A 44 -12.158 -3.365 -7.956 1.00 0.00 O ATOM 698 CB LYS A 44 -10.975 -5.509 -9.568 1.00 0.00 C ATOM 699 CG LYS A 44 -9.889 -5.883 -10.579 1.00 0.00 C ATOM 700 CD LYS A 44 -10.492 -6.357 -11.893 1.00 0.00 C ATOM 701 CE LYS A 44 -11.077 -7.758 -11.723 1.00 0.00 C ATOM 702 NZ LYS A 44 -11.180 -8.431 -13.022 1.00 0.00 N ATOM 0 H LYS A 44 -10.100 -6.521 -7.072 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.652 -4.074 -8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.533 -6.398 -9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.688 -4.821 -10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.248 -5.021 -10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.257 -6.668 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.270 -5.666 -12.216 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.729 -6.364 -12.671 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.447 -8.343 -11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.062 -7.694 -11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.701 -9.324 -12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.685 -7.817 -13.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.226 -8.630 -13.386 1.00 0.00 H new ATOM 716 N ASN A 45 -11.441 -4.555 -6.190 1.00 0.00 N ATOM 717 CA ASN A 45 -12.303 -3.930 -5.212 1.00 0.00 C ATOM 718 C ASN A 45 -11.874 -2.474 -5.058 1.00 0.00 C ATOM 719 O ASN A 45 -10.836 -2.199 -4.461 1.00 0.00 O ATOM 720 CB ASN A 45 -12.159 -4.696 -3.897 1.00 0.00 C ATOM 721 CG ASN A 45 -13.238 -4.330 -2.897 1.00 0.00 C ATOM 722 OD1 ASN A 45 -13.980 -3.363 -3.080 1.00 0.00 O ATOM 723 ND2 ASN A 45 -13.329 -5.105 -1.832 1.00 0.00 N ATOM 0 H ASN A 45 -10.869 -5.306 -5.804 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.349 -3.953 -5.518 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.200 -5.767 -4.097 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.180 -4.489 -3.464 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.034 -4.913 -1.121 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.694 -5.895 -1.721 1.00 0.00 H new ATOM 730 N ARG A 46 -12.643 -1.518 -5.581 1.00 0.00 N ATOM 731 CA ARG A 46 -12.345 -0.094 -5.447 1.00 0.00 C ATOM 732 C ARG A 46 -12.199 0.287 -3.972 1.00 0.00 C ATOM 733 O ARG A 46 -11.491 1.242 -3.652 1.00 0.00 O ATOM 734 CB ARG A 46 -13.465 0.662 -6.187 1.00 0.00 C ATOM 735 CG ARG A 46 -13.636 2.131 -5.810 1.00 0.00 C ATOM 736 CD ARG A 46 -14.856 2.778 -6.498 1.00 0.00 C ATOM 737 NE ARG A 46 -15.030 4.194 -6.131 1.00 0.00 N ATOM 738 CZ ARG A 46 -15.303 4.631 -4.894 1.00 0.00 C ATOM 739 NH1 ARG A 46 -15.572 3.768 -3.918 1.00 0.00 N ATOM 740 NH2 ARG A 46 -15.250 5.925 -4.639 1.00 0.00 N ATOM 0 H ARG A 46 -13.493 -1.712 -6.111 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.389 0.175 -5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.272 0.601 -7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.408 0.147 -6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.745 2.215 -4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.735 2.680 -6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.743 2.698 -7.579 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.756 2.224 -6.230 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.936 4.891 -6.870 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.571 2.766 -4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.779 4.108 -2.979 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.003 6.581 -5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.456 6.269 -3.701 1.00 0.00 H new ATOM 754 N GLU A 47 -12.854 -0.445 -3.073 1.00 0.00 N ATOM 755 CA GLU A 47 -12.849 -0.147 -1.651 1.00 0.00 C ATOM 756 C GLU A 47 -11.469 -0.429 -1.049 1.00 0.00 C ATOM 757 O GLU A 47 -11.114 0.228 -0.065 1.00 0.00 O ATOM 758 CB GLU A 47 -13.968 -0.931 -0.938 1.00 0.00 C ATOM 759 CG GLU A 47 -15.341 -0.649 -1.576 1.00 0.00 C ATOM 760 CD GLU A 47 -16.375 -1.726 -1.262 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.535 -2.078 -0.075 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.161 -2.096 -2.169 1.00 0.00 O ATOM 0 H GLU A 47 -13.406 -1.267 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.052 0.914 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.755 -1.999 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.991 -0.658 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.709 0.314 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.224 -0.569 -2.657 1.00 0.00 H new ATOM 769 N THR A 48 -10.670 -1.340 -1.630 1.00 0.00 N ATOM 770 CA THR A 48 -9.332 -1.587 -1.114 1.00 0.00 C ATOM 771 C THR A 48 -8.497 -0.350 -1.376 1.00 0.00 C ATOM 772 O THR A 48 -7.832 0.131 -0.472 1.00 0.00 O ATOM 773 CB THR A 48 -8.656 -2.843 -1.661 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.364 -2.741 -3.034 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.465 -4.098 -1.419 1.00 0.00 C ATOM 0 H THR A 48 -10.929 -1.903 -2.441 1.00 0.00 H new ATOM 0 HA THR A 48 -9.421 -1.785 -0.046 1.00 0.00 H new ATOM 0 HB THR A 48 -7.721 -2.922 -1.106 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.189 -2.559 -3.531 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.935 -4.957 -1.829 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.608 -4.238 -0.348 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.436 -4.005 -1.906 1.00 0.00 H new ATOM 783 N GLY A 49 -8.588 0.227 -2.575 1.00 0.00 N ATOM 784 CA GLY A 49 -7.866 1.432 -2.939 1.00 0.00 C ATOM 785 C GLY A 49 -8.094 2.583 -1.960 1.00 0.00 C ATOM 786 O GLY A 49 -7.168 3.337 -1.663 1.00 0.00 O ATOM 0 H GLY A 49 -9.174 -0.139 -3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.800 1.210 -2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.172 1.745 -3.937 1.00 0.00 H new ATOM 790 N CYS A 50 -9.321 2.721 -1.447 1.00 0.00 N ATOM 791 CA CYS A 50 -9.640 3.750 -0.469 1.00 0.00 C ATOM 792 C CYS A 50 -9.111 3.379 0.910 1.00 0.00 C ATOM 793 O CYS A 50 -8.592 4.252 1.606 1.00 0.00 O ATOM 794 CB CYS A 50 -11.140 4.067 -0.440 1.00 0.00 C ATOM 795 SG CYS A 50 -11.450 5.713 -1.121 1.00 0.00 S ATOM 0 H CYS A 50 -10.110 2.126 -1.699 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.134 4.664 -0.779 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.687 3.320 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.509 4.015 0.584 1.00 0.00 H new ATOM 800 N ALA A 51 -9.195 2.103 1.300 1.00 0.00 N ATOM 801 CA ALA A 51 -8.529 1.622 2.500 1.00 0.00 C ATOM 802 C ALA A 51 -7.041 1.954 2.421 1.00 0.00 C ATOM 803 O ALA A 51 -6.517 2.550 3.348 1.00 0.00 O ATOM 804 CB ALA A 51 -8.756 0.122 2.687 1.00 0.00 C ATOM 0 H ALA A 51 -9.720 1.388 0.796 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.954 2.122 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.248 -0.213 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.824 -0.076 2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.358 -0.416 1.827 1.00 0.00 H new ATOM 810 N ILE A 52 -6.377 1.639 1.308 1.00 0.00 N ATOM 811 CA ILE A 52 -4.960 1.885 1.068 1.00 0.00 C ATOM 812 C ILE A 52 -4.658 3.378 1.241 1.00 0.00 C ATOM 813 O ILE A 52 -3.777 3.698 2.030 1.00 0.00 O ATOM 814 CB ILE A 52 -4.529 1.268 -0.291 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.609 -0.274 -0.188 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.115 1.675 -0.731 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.315 -1.071 -1.459 1.00 0.00 C ATOM 0 H ILE A 52 -6.835 1.186 0.517 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.342 1.378 1.810 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.212 1.654 -1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.911 -0.598 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.609 -0.539 0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.883 1.207 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.064 2.759 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.393 1.349 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.405 -2.137 -1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.027 -0.792 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.303 -0.853 -1.799 1.00 0.00 H new ATOM 829 N MET A 53 -5.406 4.291 0.607 1.00 0.00 N ATOM 830 CA MET A 53 -5.248 5.732 0.808 1.00 0.00 C ATOM 831 C MET A 53 -5.329 6.106 2.290 1.00 0.00 C ATOM 832 O MET A 53 -4.471 6.831 2.805 1.00 0.00 O ATOM 833 CB MET A 53 -6.329 6.476 0.009 1.00 0.00 C ATOM 834 CG MET A 53 -6.319 7.973 0.344 1.00 0.00 C ATOM 835 SD MET A 53 -7.423 9.047 -0.601 1.00 0.00 S ATOM 836 CE MET A 53 -8.929 8.058 -0.668 1.00 0.00 C ATOM 0 H MET A 53 -6.138 4.048 -0.060 1.00 0.00 H new ATOM 0 HA MET A 53 -4.260 6.025 0.453 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.160 6.336 -1.059 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.309 6.055 0.234 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.566 8.083 1.400 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.301 8.340 0.214 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.732 8.647 -1.112 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.754 7.169 -1.273 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.213 7.760 0.341 1.00 0.00 H new ATOM 846 N CYS A 54 -6.384 5.646 2.970 1.00 0.00 N ATOM 847 CA CYS A 54 -6.570 5.927 4.385 1.00 0.00 C ATOM 848 C CYS A 54 -5.363 5.416 5.168 1.00 0.00 C ATOM 849 O CYS A 54 -4.766 6.161 5.934 1.00 0.00 O ATOM 850 CB CYS A 54 -7.883 5.334 4.904 1.00 0.00 C ATOM 851 SG CYS A 54 -8.196 5.757 6.632 1.00 0.00 S ATOM 0 H CYS A 54 -7.121 5.076 2.556 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.642 7.005 4.528 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.708 5.694 4.290 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.856 4.250 4.798 1.00 0.00 H new ATOM 856 N LEU A 55 -4.951 4.171 4.951 1.00 0.00 N ATOM 857 CA LEU A 55 -3.815 3.574 5.626 1.00 0.00 C ATOM 858 C LEU A 55 -2.551 4.383 5.351 1.00 0.00 C ATOM 859 O LEU A 55 -1.865 4.719 6.310 1.00 0.00 O ATOM 860 CB LEU A 55 -3.674 2.096 5.243 1.00 0.00 C ATOM 861 CG LEU A 55 -4.824 1.218 5.783 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.698 -0.196 5.211 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.885 1.189 7.315 1.00 0.00 C ATOM 0 H LEU A 55 -5.408 3.543 4.290 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.980 3.600 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.638 2.010 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.726 1.717 5.624 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.763 1.664 5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.509 -0.816 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.753 -0.155 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.742 -0.626 5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.713 0.556 7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.950 0.790 7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.035 2.201 7.692 1.00 0.00 H new ATOM 875 N SER A 56 -2.250 4.792 4.113 1.00 0.00 N ATOM 876 CA SER A 56 -1.113 5.672 3.857 1.00 0.00 C ATOM 877 C SER A 56 -1.200 6.962 4.672 1.00 0.00 C ATOM 878 O SER A 56 -0.196 7.350 5.274 1.00 0.00 O ATOM 879 CB SER A 56 -0.933 6.000 2.374 1.00 0.00 C ATOM 880 OG SER A 56 -0.808 4.832 1.581 1.00 0.00 O ATOM 0 H SER A 56 -2.776 4.528 3.280 1.00 0.00 H new ATOM 0 HA SER A 56 -0.233 5.113 4.177 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.785 6.584 2.026 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.047 6.621 2.246 1.00 0.00 H new ATOM 0 HG SER A 56 -1.656 4.341 1.585 1.00 0.00 H new ATOM 886 N THR A 57 -2.378 7.596 4.742 1.00 0.00 N ATOM 887 CA THR A 57 -2.575 8.783 5.575 1.00 0.00 C ATOM 888 C THR A 57 -2.103 8.407 6.991 1.00 0.00 C ATOM 889 O THR A 57 -1.227 9.021 7.592 1.00 0.00 O ATOM 890 CB THR A 57 -4.059 9.233 5.700 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.646 9.714 4.509 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.212 10.296 6.792 1.00 0.00 C ATOM 0 H THR A 57 -3.209 7.303 4.229 1.00 0.00 H new ATOM 0 HA THR A 57 -2.026 9.604 5.113 1.00 0.00 H new ATOM 0 HB THR A 57 -4.596 8.320 5.958 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.576 9.971 4.683 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.257 10.597 6.863 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.887 9.885 7.748 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.601 11.164 6.543 1.00 0.00 H new ATOM 900 N LYS A 58 -2.721 7.361 7.542 1.00 0.00 N ATOM 901 CA LYS A 58 -2.587 6.949 8.927 1.00 0.00 C ATOM 902 C LYS A 58 -1.189 6.428 9.265 1.00 0.00 C ATOM 903 O LYS A 58 -0.882 6.243 10.446 1.00 0.00 O ATOM 904 CB LYS A 58 -3.643 5.894 9.232 1.00 0.00 C ATOM 905 CG LYS A 58 -5.089 6.402 9.055 1.00 0.00 C ATOM 906 CD LYS A 58 -5.948 6.119 10.282 1.00 0.00 C ATOM 907 CE LYS A 58 -7.381 6.635 10.082 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.598 7.927 10.755 1.00 0.00 N ATOM 0 H LYS A 58 -3.350 6.760 7.010 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.738 7.828 9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.486 5.035 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.512 5.545 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.075 7.475 8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.536 5.926 8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.968 5.047 10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.505 6.594 11.158 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.583 6.742 9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.088 5.901 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.577 8.241 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.430 7.819 11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.941 8.634 10.369 1.00 0.00 H new ATOM 922 N LEU A 59 -0.345 6.144 8.269 1.00 0.00 N ATOM 923 CA LEU A 59 1.057 5.769 8.461 1.00 0.00 C ATOM 924 C LEU A 59 1.964 6.987 8.357 1.00 0.00 C ATOM 925 O LEU A 59 3.191 6.838 8.340 1.00 0.00 O ATOM 926 CB LEU A 59 1.514 4.712 7.444 1.00 0.00 C ATOM 927 CG LEU A 59 0.693 3.416 7.588 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.679 2.660 6.265 1.00 0.00 C ATOM 929 CD2 LEU A 59 1.228 2.533 8.721 1.00 0.00 C ATOM 0 H LEU A 59 -0.623 6.169 7.288 1.00 0.00 H new ATOM 0 HA LEU A 59 1.132 5.341 9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.406 5.105 6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.572 4.495 7.591 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.330 3.687 7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.097 1.745 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.230 3.285 5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.700 2.408 5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.625 1.628 8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.264 2.263 8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.177 3.079 9.663 1.00 0.00 H new ATOM 941 N ASN A 60 1.376 8.179 8.257 1.00 0.00 N ATOM 942 CA ASN A 60 2.052 9.447 8.104 1.00 0.00 C ATOM 943 C ASN A 60 2.847 9.475 6.796 1.00 0.00 C ATOM 944 O ASN A 60 3.976 9.962 6.780 1.00 0.00 O ATOM 945 CB ASN A 60 2.874 9.726 9.369 1.00 0.00 C ATOM 946 CG ASN A 60 3.013 11.203 9.658 1.00 0.00 C ATOM 947 OD1 ASN A 60 2.630 11.650 10.735 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.608 11.970 8.765 1.00 0.00 N ATOM 0 H ASN A 60 0.361 8.281 8.283 1.00 0.00 H new ATOM 0 HA ASN A 60 1.340 10.268 8.012 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.401 9.236 10.220 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.865 9.286 9.258 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.759 12.959 8.962 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.917 11.574 7.877 1.00 0.00 H new ATOM 955 N MET A 61 2.316 8.882 5.721 1.00 0.00 N ATOM 956 CA MET A 61 2.945 8.889 4.400 1.00 0.00 C ATOM 957 C MET A 61 2.356 9.957 3.483 1.00 0.00 C ATOM 958 O MET A 61 2.888 10.135 2.390 1.00 0.00 O ATOM 959 CB MET A 61 2.842 7.497 3.730 1.00 0.00 C ATOM 960 CG MET A 61 3.980 6.604 4.223 1.00 0.00 C ATOM 961 SD MET A 61 4.283 5.053 3.330 1.00 0.00 S ATOM 962 CE MET A 61 3.164 3.966 4.244 1.00 0.00 C ATOM 0 H MET A 61 1.429 8.379 5.746 1.00 0.00 H new ATOM 0 HA MET A 61 3.996 9.132 4.556 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.880 7.040 3.964 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.891 7.600 2.646 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.899 7.189 4.200 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.785 6.357 5.267 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.217 2.959 3.831 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.456 3.943 5.294 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.144 4.340 4.159 1.00 0.00 H new ATOM 972 N LEU A 62 1.282 10.642 3.875 1.00 0.00 N ATOM 973 CA LEU A 62 0.587 11.602 3.026 1.00 0.00 C ATOM 974 C LEU A 62 0.976 12.985 3.520 1.00 0.00 C ATOM 975 O LEU A 62 0.759 13.337 4.679 1.00 0.00 O ATOM 976 CB LEU A 62 -0.931 11.337 3.025 1.00 0.00 C ATOM 977 CG LEU A 62 -1.365 10.247 2.015 1.00 0.00 C ATOM 978 CD1 LEU A 62 -0.412 9.074 1.834 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.823 9.809 2.084 1.00 0.00 C ATOM 0 H LEU A 62 0.868 10.543 4.802 1.00 0.00 H new ATOM 0 HA LEU A 62 0.878 11.510 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.241 11.038 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.454 12.265 2.794 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.284 10.814 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.825 8.379 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.553 9.440 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.280 8.562 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.009 9.043 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.035 9.403 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.470 10.666 1.897 1.00 0.00 H new ATOM 991 N ASP A 63 1.651 13.723 2.655 1.00 0.00 N ATOM 992 CA ASP A 63 2.087 15.099 2.846 1.00 0.00 C ATOM 993 C ASP A 63 0.869 16.041 2.977 1.00 0.00 C ATOM 994 O ASP A 63 -0.276 15.578 2.934 1.00 0.00 O ATOM 995 CB ASP A 63 2.967 15.455 1.638 1.00 0.00 C ATOM 996 CG ASP A 63 2.143 15.984 0.463 1.00 0.00 C ATOM 997 OD1 ASP A 63 1.141 15.325 0.115 1.00 0.00 O ATOM 998 OD2 ASP A 63 2.465 17.074 -0.044 1.00 0.00 O ATOM 0 H ASP A 63 1.927 13.356 1.744 1.00 0.00 H new ATOM 0 HA ASP A 63 2.657 15.214 3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.701 16.205 1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.523 14.572 1.322 1.00 0.00 H new ATOM 1003 N PRO A 64 1.060 17.361 3.149 1.00 0.00 N ATOM 1004 CA PRO A 64 -0.053 18.278 3.350 1.00 0.00 C ATOM 1005 C PRO A 64 -0.939 18.490 2.113 1.00 0.00 C ATOM 1006 O PRO A 64 -1.933 19.212 2.222 1.00 0.00 O ATOM 1007 CB PRO A 64 0.567 19.591 3.824 1.00 0.00 C ATOM 1008 CG PRO A 64 2.031 19.543 3.399 1.00 0.00 C ATOM 1009 CD PRO A 64 2.334 18.064 3.192 1.00 0.00 C ATOM 0 HA PRO A 64 -0.740 17.853 4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.059 20.446 3.377 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.478 19.696 4.905 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.195 20.111 2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.678 19.975 4.162 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.888 17.912 2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.956 17.682 4.002 1.00 0.00 H new ATOM 1017 N GLU A 65 -0.606 17.905 0.960 1.00 0.00 N ATOM 1018 CA GLU A 65 -1.426 17.905 -0.247 1.00 0.00 C ATOM 1019 C GLU A 65 -2.215 16.600 -0.367 1.00 0.00 C ATOM 1020 O GLU A 65 -3.254 16.540 -1.024 1.00 0.00 O ATOM 1021 CB GLU A 65 -0.528 18.064 -1.475 1.00 0.00 C ATOM 1022 CG GLU A 65 0.219 19.404 -1.462 1.00 0.00 C ATOM 1023 CD GLU A 65 -0.675 20.621 -1.718 1.00 0.00 C ATOM 1024 OE1 GLU A 65 -1.734 20.497 -2.381 1.00 0.00 O ATOM 1025 OE2 GLU A 65 -0.295 21.717 -1.257 1.00 0.00 O ATOM 0 H GLU A 65 0.273 17.402 0.840 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.129 18.736 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.192 17.246 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.132 17.993 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.710 19.524 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.004 19.378 -2.218 1.00 0.00 H new ATOM 1032 N GLY A 66 -1.727 15.549 0.283 1.00 0.00 N ATOM 1033 CA GLY A 66 -2.270 14.209 0.248 1.00 0.00 C ATOM 1034 C GLY A 66 -1.652 13.369 -0.865 1.00 0.00 C ATOM 1035 O GLY A 66 -2.192 12.310 -1.189 1.00 0.00 O ATOM 0 H GLY A 66 -0.900 15.619 0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.096 13.723 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.350 14.259 0.107 1.00 0.00 H new ATOM 1039 N ASN A 67 -0.551 13.820 -1.470 1.00 0.00 N ATOM 1040 CA ASN A 67 0.017 13.287 -2.705 1.00 0.00 C ATOM 1041 C ASN A 67 1.439 12.833 -2.397 1.00 0.00 C ATOM 1042 O ASN A 67 2.397 13.319 -3.002 1.00 0.00 O ATOM 1043 CB ASN A 67 -0.095 14.321 -3.843 1.00 0.00 C ATOM 1044 CG ASN A 67 -1.552 14.638 -4.168 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -2.361 13.740 -4.391 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -1.943 15.903 -4.154 1.00 0.00 N ATOM 0 H ASN A 67 -0.010 14.599 -1.095 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.536 12.421 -3.069 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.423 15.236 -3.557 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.403 13.939 -4.734 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.920 16.137 -4.329 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.267 16.644 -3.968 1.00 0.00 H new ATOM 1053 N LEU A 68 1.522 11.907 -1.432 1.00 0.00 N ATOM 1054 CA LEU A 68 2.665 11.243 -0.789 1.00 0.00 C ATOM 1055 C LEU A 68 3.789 12.161 -0.281 1.00 0.00 C ATOM 1056 O LEU A 68 4.003 13.278 -0.747 1.00 0.00 O ATOM 1057 CB LEU A 68 3.197 10.072 -1.654 1.00 0.00 C ATOM 1058 CG LEU A 68 3.334 8.723 -0.894 1.00 0.00 C ATOM 1059 CD1 LEU A 68 2.623 7.593 -1.647 1.00 0.00 C ATOM 1060 CD2 LEU A 68 4.784 8.281 -0.667 1.00 0.00 C ATOM 0 H LEU A 68 0.656 11.554 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 68 2.253 10.836 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.528 9.930 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.171 10.348 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 68 2.874 8.907 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.734 6.661 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.564 7.832 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.064 7.482 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.795 7.332 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.282 8.161 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.307 9.036 -0.080 1.00 0.00 H new ATOM 1072 N HIS A 69 4.538 11.650 0.691 1.00 0.00 N ATOM 1073 CA HIS A 69 5.698 12.255 1.322 1.00 0.00 C ATOM 1074 C HIS A 69 6.790 11.203 1.240 1.00 0.00 C ATOM 1075 O HIS A 69 6.911 10.344 2.115 1.00 0.00 O ATOM 1076 CB HIS A 69 5.356 12.645 2.765 1.00 0.00 C ATOM 1077 CG HIS A 69 6.429 13.399 3.509 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.773 13.483 3.217 1.00 0.00 N ATOM 1079 CD2 HIS A 69 6.214 14.103 4.657 1.00 0.00 C ATOM 1080 CE1 HIS A 69 8.365 14.158 4.216 1.00 0.00 C ATOM 1081 NE2 HIS A 69 7.456 14.566 5.120 1.00 0.00 N ATOM 0 H HIS A 69 4.331 10.732 1.085 1.00 0.00 H new ATOM 0 HA HIS A 69 6.023 13.174 0.835 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.452 13.253 2.753 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.122 11.738 3.322 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.257 14.274 5.127 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.426 14.347 4.284 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.633 15.103 5.969 1.00 0.00 H new ATOM 1089 N HIS A 70 7.561 11.217 0.155 1.00 0.00 N ATOM 1090 CA HIS A 70 8.559 10.184 -0.115 1.00 0.00 C ATOM 1091 C HIS A 70 9.632 10.116 0.967 1.00 0.00 C ATOM 1092 O HIS A 70 10.163 9.040 1.238 1.00 0.00 O ATOM 1093 CB HIS A 70 9.221 10.467 -1.451 1.00 0.00 C ATOM 1094 CG HIS A 70 8.238 10.493 -2.588 1.00 0.00 C ATOM 1095 ND1 HIS A 70 7.974 11.591 -3.358 1.00 0.00 N ATOM 1096 CD2 HIS A 70 7.419 9.481 -3.012 1.00 0.00 C ATOM 1097 CE1 HIS A 70 7.080 11.236 -4.286 1.00 0.00 C ATOM 1098 NE2 HIS A 70 6.687 9.964 -4.101 1.00 0.00 N ATOM 0 H HIS A 70 7.512 11.943 -0.560 1.00 0.00 H new ATOM 0 HA HIS A 70 8.042 9.224 -0.131 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.738 11.425 -1.401 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.977 9.707 -1.646 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.351 8.492 -2.584 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.723 11.881 -5.075 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.993 9.453 -4.646 1.00 0.00 H new ATOM 1106 N GLY A 71 9.929 11.255 1.593 1.00 0.00 N ATOM 1107 CA GLY A 71 10.700 11.344 2.815 1.00 0.00 C ATOM 1108 C GLY A 71 10.161 10.396 3.880 1.00 0.00 C ATOM 1109 O GLY A 71 10.824 9.429 4.259 1.00 0.00 O ATOM 0 H GLY A 71 9.626 12.165 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.743 11.106 2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.675 12.367 3.190 1.00 0.00 H new ATOM 1113 N ASN A 72 8.939 10.653 4.355 1.00 0.00 N ATOM 1114 CA ASN A 72 8.379 9.899 5.472 1.00 0.00 C ATOM 1115 C ASN A 72 8.008 8.459 5.093 1.00 0.00 C ATOM 1116 O ASN A 72 7.942 7.590 5.960 1.00 0.00 O ATOM 1117 CB ASN A 72 7.192 10.640 6.103 1.00 0.00 C ATOM 1118 CG ASN A 72 7.302 10.575 7.624 1.00 0.00 C ATOM 1119 OD1 ASN A 72 8.303 10.998 8.192 1.00 0.00 O ATOM 1120 ND2 ASN A 72 6.303 10.057 8.311 1.00 0.00 N ATOM 0 H ASN A 72 8.323 11.376 3.983 1.00 0.00 H new ATOM 0 HA ASN A 72 9.166 9.823 6.222 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.181 11.679 5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.254 10.191 5.776 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.357 10.004 9.328 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.476 9.709 7.825 1.00 0.00 H new ATOM 1127 N ALA A 73 7.777 8.192 3.804 1.00 0.00 N ATOM 1128 CA ALA A 73 7.625 6.864 3.223 1.00 0.00 C ATOM 1129 C ALA A 73 8.939 6.071 3.270 1.00 0.00 C ATOM 1130 O ALA A 73 8.932 4.883 3.608 1.00 0.00 O ATOM 1131 CB ALA A 73 7.122 7.012 1.786 1.00 0.00 C ATOM 0 H ALA A 73 7.688 8.933 3.109 1.00 0.00 H new ATOM 0 HA ALA A 73 6.900 6.299 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.004 6.025 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.161 7.527 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.842 7.589 1.206 1.00 0.00 H new ATOM 1137 N MET A 74 10.070 6.702 2.940 1.00 0.00 N ATOM 1138 CA MET A 74 11.381 6.076 3.042 1.00 0.00 C ATOM 1139 C MET A 74 11.708 5.805 4.508 1.00 0.00 C ATOM 1140 O MET A 74 12.287 4.763 4.820 1.00 0.00 O ATOM 1141 CB MET A 74 12.448 6.962 2.380 1.00 0.00 C ATOM 1142 CG MET A 74 13.841 6.372 2.614 1.00 0.00 C ATOM 1143 SD MET A 74 15.086 6.730 1.354 1.00 0.00 S ATOM 1144 CE MET A 74 14.553 5.532 0.103 1.00 0.00 C ATOM 0 H MET A 74 10.097 7.662 2.595 1.00 0.00 H new ATOM 0 HA MET A 74 11.371 5.123 2.513 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.253 7.042 1.310 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.399 7.971 2.789 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.210 6.737 3.573 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.744 5.290 2.701 1.00 0.00 H new ATOM 0 HE1 MET A 74 14.579 5.998 -0.882 1.00 0.00 H new ATOM 0 HE2 MET A 74 15.222 4.672 0.115 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.537 5.204 0.323 1.00 0.00 H new ATOM 1154 N GLU A 75 11.324 6.717 5.402 1.00 0.00 N ATOM 1155 CA GLU A 75 11.451 6.519 6.836 1.00 0.00 C ATOM 1156 C GLU A 75 10.675 5.276 7.235 1.00 0.00 C ATOM 1157 O GLU A 75 11.277 4.356 7.771 1.00 0.00 O ATOM 1158 CB GLU A 75 10.911 7.749 7.582 1.00 0.00 C ATOM 1159 CG GLU A 75 11.932 8.354 8.548 1.00 0.00 C ATOM 1160 CD GLU A 75 11.877 7.784 9.970 1.00 0.00 C ATOM 1161 OE1 GLU A 75 11.486 6.617 10.154 1.00 0.00 O ATOM 1162 OE2 GLU A 75 12.189 8.541 10.920 1.00 0.00 O ATOM 0 H GLU A 75 10.915 7.615 5.145 1.00 0.00 H new ATOM 0 HA GLU A 75 12.501 6.388 7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.612 8.505 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.016 7.468 8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.932 8.196 8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.774 9.431 8.596 1.00 0.00 H new ATOM 1169 N PHE A 76 9.377 5.212 6.903 1.00 0.00 N ATOM 1170 CA PHE A 76 8.512 4.081 7.219 1.00 0.00 C ATOM 1171 C PHE A 76 9.220 2.772 6.891 1.00 0.00 C ATOM 1172 O PHE A 76 9.270 1.879 7.738 1.00 0.00 O ATOM 1173 CB PHE A 76 7.184 4.182 6.450 1.00 0.00 C ATOM 1174 CG PHE A 76 6.228 3.036 6.717 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.797 2.789 8.031 1.00 0.00 C ATOM 1176 CD2 PHE A 76 5.793 2.204 5.665 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.941 1.700 8.292 1.00 0.00 C ATOM 1178 CE2 PHE A 76 4.886 1.154 5.922 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.475 0.894 7.239 1.00 0.00 C ATOM 0 H PHE A 76 8.898 5.959 6.400 1.00 0.00 H new ATOM 0 HA PHE A 76 8.290 4.101 8.286 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.694 5.119 6.713 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.397 4.223 5.382 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.120 3.431 8.838 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.155 2.371 4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.641 1.484 9.307 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.509 0.552 5.108 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.801 0.075 7.443 1.00 0.00 H new ATOM 1189 N ALA A 77 9.802 2.693 5.690 1.00 0.00 N ATOM 1190 CA ALA A 77 10.592 1.562 5.256 1.00 0.00 C ATOM 1191 C ALA A 77 11.788 1.315 6.202 1.00 0.00 C ATOM 1192 O ALA A 77 11.829 0.279 6.875 1.00 0.00 O ATOM 1193 CB ALA A 77 10.998 1.752 3.789 1.00 0.00 C ATOM 0 H ALA A 77 9.730 3.431 4.989 1.00 0.00 H new ATOM 0 HA ALA A 77 9.992 0.654 5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.593 0.899 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.103 1.828 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.586 2.664 3.689 1.00 0.00 H new ATOM 1199 N LYS A 78 12.788 2.212 6.247 1.00 0.00 N ATOM 1200 CA LYS A 78 14.027 2.012 6.998 1.00 0.00 C ATOM 1201 C LYS A 78 13.756 1.752 8.479 1.00 0.00 C ATOM 1202 O LYS A 78 14.414 0.891 9.066 1.00 0.00 O ATOM 1203 CB LYS A 78 14.965 3.226 6.825 1.00 0.00 C ATOM 1204 CG LYS A 78 16.085 2.978 5.801 1.00 0.00 C ATOM 1205 CD LYS A 78 15.715 3.217 4.329 1.00 0.00 C ATOM 1206 CE LYS A 78 16.867 3.861 3.529 1.00 0.00 C ATOM 1207 NZ LYS A 78 16.959 5.327 3.695 1.00 0.00 N ATOM 0 H LYS A 78 12.752 3.105 5.755 1.00 0.00 H new ATOM 0 HA LYS A 78 14.517 1.126 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.378 4.090 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.410 3.475 7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.929 3.621 6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.426 1.948 5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.442 2.268 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.837 3.861 4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.809 3.409 3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.736 3.632 2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.954 5.622 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.407 5.796 2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.581 5.595 4.626 1.00 0.00 H new ATOM 1221 N LYS A 79 12.776 2.434 9.065 1.00 0.00 N ATOM 1222 CA LYS A 79 12.288 2.255 10.424 1.00 0.00 C ATOM 1223 C LYS A 79 12.052 0.783 10.729 1.00 0.00 C ATOM 1224 O LYS A 79 12.472 0.306 11.781 1.00 0.00 O ATOM 1225 CB LYS A 79 11.007 3.090 10.563 1.00 0.00 C ATOM 1226 CG LYS A 79 10.251 2.894 11.880 1.00 0.00 C ATOM 1227 CD LYS A 79 8.975 3.748 11.917 1.00 0.00 C ATOM 1228 CE LYS A 79 7.919 3.111 12.827 1.00 0.00 C ATOM 1229 NZ LYS A 79 8.367 2.978 14.229 1.00 0.00 N ATOM 0 H LYS A 79 12.272 3.171 8.571 1.00 0.00 H new ATOM 0 HA LYS A 79 13.027 2.594 11.150 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.265 4.144 10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.339 2.845 9.737 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.992 1.842 12.001 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.896 3.162 12.717 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.213 4.750 12.275 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.575 3.856 10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.011 3.714 12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.660 2.126 12.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.594 2.589 14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.187 2.339 14.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.636 3.912 14.597 1.00 0.00 H new ATOM 1243 N HIS A 80 11.348 0.067 9.849 1.00 0.00 N ATOM 1244 CA HIS A 80 11.008 -1.332 10.059 1.00 0.00 C ATOM 1245 C HIS A 80 12.185 -2.271 9.759 1.00 0.00 C ATOM 1246 O HIS A 80 12.024 -3.478 9.927 1.00 0.00 O ATOM 1247 CB HIS A 80 9.803 -1.693 9.187 1.00 0.00 C ATOM 1248 CG HIS A 80 8.528 -1.069 9.685 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.256 0.273 9.786 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.433 -1.745 10.139 1.00 0.00 C ATOM 1251 CE1 HIS A 80 7.045 0.394 10.347 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.495 -0.810 10.573 1.00 0.00 N ATOM 0 H HIS A 80 10.999 0.448 8.969 1.00 0.00 H new ATOM 0 HA HIS A 80 10.761 -1.464 11.112 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.988 -1.367 8.163 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.688 -2.777 9.161 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.863 1.037 9.489 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.314 -2.818 10.159 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.573 1.336 10.586 1.00 0.00 H new ATOM 1260 N GLY A 81 13.332 -1.756 9.308 1.00 0.00 N ATOM 1261 CA GLY A 81 14.527 -2.529 8.986 1.00 0.00 C ATOM 1262 C GLY A 81 14.885 -2.493 7.500 1.00 0.00 C ATOM 1263 O GLY A 81 15.793 -3.212 7.090 1.00 0.00 O ATOM 0 H GLY A 81 13.455 -0.755 9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.367 -2.145 9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.376 -3.564 9.292 1.00 0.00 H new ATOM 1267 N ALA A 82 14.165 -1.730 6.662 1.00 0.00 N ATOM 1268 CA ALA A 82 14.264 -1.908 5.216 1.00 0.00 C ATOM 1269 C ALA A 82 15.657 -1.572 4.717 1.00 0.00 C ATOM 1270 O ALA A 82 16.298 -0.636 5.212 1.00 0.00 O ATOM 1271 CB ALA A 82 13.263 -1.031 4.470 1.00 0.00 C ATOM 0 H ALA A 82 13.520 -0.998 6.960 1.00 0.00 H new ATOM 0 HA ALA A 82 14.042 -2.957 5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.367 -1.192 3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.251 -1.291 4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.455 0.017 4.700 1.00 0.00 H new ATOM 1277 N ASP A 83 16.085 -2.296 3.690 1.00 0.00 N ATOM 1278 CA ASP A 83 17.333 -2.042 3.006 1.00 0.00 C ATOM 1279 C ASP A 83 17.273 -0.666 2.350 1.00 0.00 C ATOM 1280 O ASP A 83 16.207 -0.105 2.099 1.00 0.00 O ATOM 1281 CB ASP A 83 17.692 -3.087 1.908 1.00 0.00 C ATOM 1282 CG ASP A 83 17.036 -4.480 1.852 1.00 0.00 C ATOM 1283 OD1 ASP A 83 16.064 -4.793 2.579 1.00 0.00 O ATOM 1284 OD2 ASP A 83 17.447 -5.238 0.939 1.00 0.00 O ATOM 0 H ASP A 83 15.563 -3.085 3.309 1.00 0.00 H new ATOM 0 HA ASP A 83 18.108 -2.106 3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.497 -2.611 0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.768 -3.250 1.971 1.00 0.00 H new ATOM 1289 N GLU A 84 18.443 -0.125 2.042 1.00 0.00 N ATOM 1290 CA GLU A 84 18.620 1.138 1.350 1.00 0.00 C ATOM 1291 C GLU A 84 17.993 1.074 -0.050 1.00 0.00 C ATOM 1292 O GLU A 84 17.033 1.797 -0.315 1.00 0.00 O ATOM 1293 CB GLU A 84 20.117 1.504 1.389 1.00 0.00 C ATOM 1294 CG GLU A 84 20.350 2.933 1.901 1.00 0.00 C ATOM 1295 CD GLU A 84 20.141 3.976 0.814 1.00 0.00 C ATOM 1296 OE1 GLU A 84 18.989 4.428 0.628 1.00 0.00 O ATOM 1297 OE2 GLU A 84 21.132 4.400 0.169 1.00 0.00 O ATOM 0 H GLU A 84 19.328 -0.574 2.278 1.00 0.00 H new ATOM 0 HA GLU A 84 18.089 1.952 1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.645 0.799 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.540 1.404 0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.672 3.135 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 84 21.364 3.016 2.291 1.00 0.00 H new ATOM 1304 N THR A 85 18.443 0.162 -0.923 1.00 0.00 N ATOM 1305 CA THR A 85 17.901 0.070 -2.276 1.00 0.00 C ATOM 1306 C THR A 85 16.461 -0.432 -2.243 1.00 0.00 C ATOM 1307 O THR A 85 15.665 0.002 -3.067 1.00 0.00 O ATOM 1308 CB THR A 85 18.783 -0.814 -3.176 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.136 -0.410 -3.043 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.357 -0.733 -4.644 1.00 0.00 C ATOM 0 H THR A 85 19.176 -0.516 -0.714 1.00 0.00 H new ATOM 0 HA THR A 85 17.901 1.070 -2.709 1.00 0.00 H new ATOM 0 HB THR A 85 18.666 -1.850 -2.857 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.702 -0.971 -3.613 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.004 -1.371 -5.246 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.324 -1.068 -4.742 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.439 0.297 -4.990 1.00 0.00 H new ATOM 1318 N MET A 86 16.089 -1.282 -1.280 1.00 0.00 N ATOM 1319 CA MET A 86 14.699 -1.652 -1.061 1.00 0.00 C ATOM 1320 C MET A 86 13.876 -0.386 -0.852 1.00 0.00 C ATOM 1321 O MET A 86 12.894 -0.174 -1.548 1.00 0.00 O ATOM 1322 CB MET A 86 14.614 -2.607 0.142 1.00 0.00 C ATOM 1323 CG MET A 86 13.241 -2.613 0.817 1.00 0.00 C ATOM 1324 SD MET A 86 12.906 -3.975 1.966 1.00 0.00 S ATOM 1325 CE MET A 86 11.233 -3.495 2.459 1.00 0.00 C ATOM 0 H MET A 86 16.744 -1.727 -0.637 1.00 0.00 H new ATOM 0 HA MET A 86 14.293 -2.175 -1.927 1.00 0.00 H new ATOM 0 HB2 MET A 86 14.853 -3.618 -0.188 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.370 -2.324 0.875 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.124 -1.674 1.358 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.479 -2.629 0.038 1.00 0.00 H new ATOM 0 HE1 MET A 86 10.714 -4.359 2.874 1.00 0.00 H new ATOM 0 HE2 MET A 86 11.287 -2.708 3.211 1.00 0.00 H new ATOM 0 HE3 MET A 86 10.688 -3.128 1.589 1.00 0.00 H new ATOM 1335 N ALA A 87 14.233 0.469 0.098 1.00 0.00 N ATOM 1336 CA ALA A 87 13.438 1.653 0.362 1.00 0.00 C ATOM 1337 C ALA A 87 13.463 2.627 -0.812 1.00 0.00 C ATOM 1338 O ALA A 87 12.464 3.311 -1.020 1.00 0.00 O ATOM 1339 CB ALA A 87 13.858 2.229 1.697 1.00 0.00 C ATOM 0 H ALA A 87 15.057 0.364 0.690 1.00 0.00 H new ATOM 0 HA ALA A 87 12.382 1.399 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.269 3.121 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.693 1.489 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.915 2.492 1.663 1.00 0.00 H new ATOM 1345 N GLN A 88 14.542 2.682 -1.595 1.00 0.00 N ATOM 1346 CA GLN A 88 14.530 3.467 -2.817 1.00 0.00 C ATOM 1347 C GLN A 88 13.560 2.860 -3.837 1.00 0.00 C ATOM 1348 O GLN A 88 12.799 3.605 -4.439 1.00 0.00 O ATOM 1349 CB GLN A 88 15.958 3.647 -3.355 1.00 0.00 C ATOM 1350 CG GLN A 88 16.018 4.606 -4.554 1.00 0.00 C ATOM 1351 CD GLN A 88 15.284 5.925 -4.304 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.595 6.669 -3.369 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.244 6.210 -5.072 1.00 0.00 N ATOM 0 H GLN A 88 15.419 2.198 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 88 14.157 4.469 -2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.598 4.026 -2.558 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.357 2.676 -3.650 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.061 4.817 -4.792 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.585 4.116 -5.426 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.994 5.590 -5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.693 7.050 -4.893 1.00 0.00 H new ATOM 1362 N GLN A 89 13.524 1.537 -4.002 1.00 0.00 N ATOM 1363 CA GLN A 89 12.588 0.812 -4.851 1.00 0.00 C ATOM 1364 C GLN A 89 11.145 1.129 -4.436 1.00 0.00 C ATOM 1365 O GLN A 89 10.322 1.499 -5.270 1.00 0.00 O ATOM 1366 CB GLN A 89 12.915 -0.682 -4.748 1.00 0.00 C ATOM 1367 CG GLN A 89 14.090 -1.045 -5.656 1.00 0.00 C ATOM 1368 CD GLN A 89 13.692 -1.415 -7.076 1.00 0.00 C ATOM 1369 OE1 GLN A 89 12.887 -0.745 -7.703 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.291 -2.444 -7.654 1.00 0.00 N ATOM 0 H GLN A 89 14.178 0.917 -3.524 1.00 0.00 H new ATOM 0 HA GLN A 89 12.684 1.118 -5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.156 -0.936 -3.716 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.040 -1.270 -5.025 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.780 -0.202 -5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.631 -1.881 -5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.964 -3.003 -7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.080 -2.678 -8.624 1.00 0.00 H new ATOM 1379 N LEU A 90 10.836 1.053 -3.135 1.00 0.00 N ATOM 1380 CA LEU A 90 9.552 1.399 -2.546 1.00 0.00 C ATOM 1381 C LEU A 90 9.071 2.809 -2.841 1.00 0.00 C ATOM 1382 O LEU A 90 7.871 3.050 -2.720 1.00 0.00 O ATOM 1383 CB LEU A 90 9.623 1.186 -1.025 1.00 0.00 C ATOM 1384 CG LEU A 90 9.255 -0.228 -0.575 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.065 -1.377 -1.138 1.00 0.00 C ATOM 1386 CD2 LEU A 90 9.358 -0.327 0.948 1.00 0.00 C ATOM 0 H LEU A 90 11.510 0.733 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 90 8.820 0.739 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.633 1.413 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.955 1.896 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 90 8.246 -0.349 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.693 -2.318 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.973 -1.389 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.113 -1.253 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.095 -1.336 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.378 -0.103 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.674 0.387 1.406 1.00 0.00 H new ATOM 1398 N ILE A 91 9.953 3.729 -3.219 1.00 0.00 N ATOM 1399 CA ILE A 91 9.567 5.043 -3.684 1.00 0.00 C ATOM 1400 C ILE A 91 9.680 5.150 -5.200 1.00 0.00 C ATOM 1401 O ILE A 91 8.846 5.845 -5.766 1.00 0.00 O ATOM 1402 CB ILE A 91 10.322 6.122 -2.881 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.643 6.297 -1.504 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.305 7.468 -3.622 1.00 0.00 C ATOM 1405 CD1 ILE A 91 10.177 5.381 -0.405 1.00 0.00 C ATOM 0 H ILE A 91 10.961 3.576 -3.209 1.00 0.00 H new ATOM 0 HA ILE A 91 8.509 5.220 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 91 11.357 5.803 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.763 7.332 -1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.573 6.120 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.844 8.213 -3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.785 7.354 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.274 7.793 -3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.641 5.576 0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.032 4.341 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.240 5.572 -0.257 1.00 0.00 H new ATOM 1417 N ASP A 92 10.610 4.478 -5.881 1.00 0.00 N ATOM 1418 CA ASP A 92 10.702 4.576 -7.336 1.00 0.00 C ATOM 1419 C ASP A 92 9.399 4.085 -7.959 1.00 0.00 C ATOM 1420 O ASP A 92 8.798 4.793 -8.767 1.00 0.00 O ATOM 1421 CB ASP A 92 11.886 3.782 -7.921 1.00 0.00 C ATOM 1422 CG ASP A 92 11.923 3.892 -9.461 1.00 0.00 C ATOM 1423 OD1 ASP A 92 11.597 4.970 -10.018 1.00 0.00 O ATOM 1424 OD2 ASP A 92 12.291 2.902 -10.131 1.00 0.00 O ATOM 0 H ASP A 92 11.304 3.866 -5.452 1.00 0.00 H new ATOM 0 HA ASP A 92 10.875 5.625 -7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.821 4.157 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.805 2.735 -7.630 1.00 0.00 H new ATOM 1429 N ILE A 93 8.928 2.918 -7.510 1.00 0.00 N ATOM 1430 CA ILE A 93 7.746 2.264 -8.034 1.00 0.00 C ATOM 1431 C ILE A 93 6.528 3.114 -7.673 1.00 0.00 C ATOM 1432 O ILE A 93 5.722 3.419 -8.543 1.00 0.00 O ATOM 1433 CB ILE A 93 7.669 0.820 -7.485 1.00 0.00 C ATOM 1434 CG1 ILE A 93 8.936 -0.011 -7.818 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.431 0.102 -8.052 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.166 -1.195 -6.870 1.00 0.00 C ATOM 0 H ILE A 93 9.375 2.398 -6.755 1.00 0.00 H new ATOM 0 HA ILE A 93 7.781 2.180 -9.120 1.00 0.00 H new ATOM 0 HB ILE A 93 7.597 0.899 -6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.856 -0.385 -8.839 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.807 0.643 -7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.387 -0.914 -7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.531 0.643 -7.760 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.497 0.067 -9.139 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.070 -1.728 -7.166 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.279 -0.828 -5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.313 -1.872 -6.920 1.00 0.00 H new ATOM 1448 N VAL A 94 6.387 3.511 -6.404 1.00 0.00 N ATOM 1449 CA VAL A 94 5.207 4.228 -5.928 1.00 0.00 C ATOM 1450 C VAL A 94 5.139 5.624 -6.553 1.00 0.00 C ATOM 1451 O VAL A 94 4.098 5.989 -7.110 1.00 0.00 O ATOM 1452 CB VAL A 94 5.179 4.234 -4.387 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.026 5.076 -3.827 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.009 2.796 -3.883 1.00 0.00 C ATOM 0 H VAL A 94 7.088 3.343 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 94 4.302 3.712 -6.250 1.00 0.00 H new ATOM 0 HB VAL A 94 6.118 4.671 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.050 5.048 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.130 6.107 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.077 4.673 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.988 2.792 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.075 2.385 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.843 2.187 -4.232 1.00 0.00 H new ATOM 1464 N HIS A 95 6.239 6.388 -6.517 1.00 0.00 N ATOM 1465 CA HIS A 95 6.277 7.702 -7.133 1.00 0.00 C ATOM 1466 C HIS A 95 5.947 7.543 -8.624 1.00 0.00 C ATOM 1467 O HIS A 95 5.185 8.320 -9.202 1.00 0.00 O ATOM 1468 CB HIS A 95 7.637 8.404 -7.001 1.00 0.00 C ATOM 1469 CG HIS A 95 7.586 9.886 -7.323 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.667 10.737 -7.372 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.465 10.646 -7.540 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.217 11.977 -7.602 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.876 11.972 -7.727 1.00 0.00 N ATOM 0 H HIS A 95 7.110 6.110 -6.065 1.00 0.00 H new ATOM 0 HA HIS A 95 5.550 8.325 -6.613 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.007 8.274 -5.984 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.353 7.920 -7.665 1.00 0.00 H new ATOM 0 HD1 HIS A 95 9.644 10.469 -7.253 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.447 10.286 -7.563 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.840 12.856 -7.677 1.00 0.00 H new ATOM 1481 N GLY A 96 6.515 6.499 -9.234 1.00 0.00 N ATOM 1482 CA GLY A 96 6.395 6.075 -10.618 1.00 0.00 C ATOM 1483 C GLY A 96 5.100 5.324 -10.940 1.00 0.00 C ATOM 1484 O GLY A 96 5.035 4.658 -11.976 1.00 0.00 O ATOM 0 H GLY A 96 7.129 5.873 -8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.461 6.953 -11.261 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.242 5.435 -10.864 1.00 0.00 H new ATOM 1488 N CYS A 97 4.076 5.440 -10.093 1.00 0.00 N ATOM 1489 CA CYS A 97 2.710 5.010 -10.350 1.00 0.00 C ATOM 1490 C CYS A 97 1.730 6.119 -9.982 1.00 0.00 C ATOM 1491 O CYS A 97 0.719 6.226 -10.657 1.00 0.00 O ATOM 1492 CB CYS A 97 2.423 3.705 -9.609 1.00 0.00 C ATOM 1493 SG CYS A 97 3.251 2.263 -10.326 1.00 0.00 S ATOM 0 H CYS A 97 4.187 5.856 -9.168 1.00 0.00 H new ATOM 0 HA CYS A 97 2.582 4.811 -11.414 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.734 3.812 -8.570 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.347 3.530 -9.604 1.00 0.00 H new ATOM 1498 N GLU A 98 2.009 7.022 -9.037 1.00 0.00 N ATOM 1499 CA GLU A 98 1.052 8.079 -8.674 1.00 0.00 C ATOM 1500 C GLU A 98 0.602 8.971 -9.850 1.00 0.00 C ATOM 1501 O GLU A 98 -0.441 9.617 -9.755 1.00 0.00 O ATOM 1502 CB GLU A 98 1.604 8.936 -7.524 1.00 0.00 C ATOM 1503 CG GLU A 98 1.367 8.265 -6.160 1.00 0.00 C ATOM 1504 CD GLU A 98 1.380 9.263 -4.999 1.00 0.00 C ATOM 1505 OE1 GLU A 98 2.165 10.238 -5.070 1.00 0.00 O ATOM 1506 OE2 GLU A 98 0.606 9.051 -4.041 1.00 0.00 O ATOM 0 H GLU A 98 2.883 7.045 -8.511 1.00 0.00 H new ATOM 0 HA GLU A 98 0.153 7.556 -8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.672 9.099 -7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.127 9.916 -7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.408 7.746 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.135 7.510 -5.993 1.00 0.00 H new ATOM 1513 N LYS A 99 1.312 8.990 -10.979 1.00 0.00 N ATOM 1514 CA LYS A 99 0.909 9.698 -12.198 1.00 0.00 C ATOM 1515 C LYS A 99 0.845 8.696 -13.352 1.00 0.00 C ATOM 1516 O LYS A 99 -0.106 8.686 -14.135 1.00 0.00 O ATOM 1517 CB LYS A 99 1.871 10.866 -12.510 1.00 0.00 C ATOM 1518 CG LYS A 99 2.200 11.808 -11.330 1.00 0.00 C ATOM 1519 CD LYS A 99 3.421 11.349 -10.508 1.00 0.00 C ATOM 1520 CE LYS A 99 3.835 12.342 -9.418 1.00 0.00 C ATOM 1521 NZ LYS A 99 4.381 13.597 -9.973 1.00 0.00 N ATOM 0 H LYS A 99 2.203 8.503 -11.075 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.078 10.138 -12.054 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.805 10.450 -12.888 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.439 11.461 -13.314 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.386 12.811 -11.715 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.332 11.874 -10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.197 10.388 -10.046 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.263 11.190 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.972 12.570 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.582 11.878 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.724 14.199 -9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.169 13.378 -10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.635 14.098 -10.497 1.00 0.00 H new ATOM 1535 N SER A 100 1.848 7.826 -13.435 1.00 0.00 N ATOM 1536 CA SER A 100 2.017 6.762 -14.409 1.00 0.00 C ATOM 1537 C SER A 100 0.837 5.789 -14.468 1.00 0.00 C ATOM 1538 O SER A 100 0.407 5.431 -15.566 1.00 0.00 O ATOM 1539 CB SER A 100 3.316 6.065 -14.039 1.00 0.00 C ATOM 1540 OG SER A 100 4.397 6.832 -14.543 1.00 0.00 O ATOM 0 H SER A 100 2.621 7.852 -12.770 1.00 0.00 H new ATOM 0 HA SER A 100 2.055 7.178 -15.416 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.396 5.963 -12.957 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.338 5.059 -14.457 1.00 0.00 H new ATOM 0 HG SER A 100 5.244 6.396 -14.311 1.00 0.00 H new ATOM 1546 N THR A 101 0.259 5.407 -13.332 1.00 0.00 N ATOM 1547 CA THR A 101 -0.966 4.627 -13.296 1.00 0.00 C ATOM 1548 C THR A 101 -2.101 5.534 -13.791 1.00 0.00 C ATOM 1549 O THR A 101 -2.358 6.575 -13.180 1.00 0.00 O ATOM 1550 CB THR A 101 -1.185 4.141 -11.862 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.234 3.151 -11.524 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.561 3.543 -11.616 1.00 0.00 C ATOM 0 H THR A 101 0.632 5.633 -12.410 1.00 0.00 H new ATOM 0 HA THR A 101 -0.923 3.747 -13.937 1.00 0.00 H new ATOM 0 HB THR A 101 -1.082 5.034 -11.245 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.480 2.739 -10.670 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.638 3.222 -10.577 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.325 4.292 -11.822 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.708 2.685 -12.272 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.765 5.185 -14.903 1.00 0.00 N ATOM 1561 CA PRO A 102 -3.910 5.927 -15.392 1.00 0.00 C ATOM 1562 C PRO A 102 -5.123 5.547 -14.553 1.00 0.00 C ATOM 1563 O PRO A 102 -5.324 4.368 -14.239 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.050 5.503 -16.853 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.551 4.058 -16.864 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.561 3.987 -15.705 1.00 0.00 C ATOM 0 HA PRO A 102 -3.808 7.010 -15.321 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.084 5.572 -17.192 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.456 6.136 -17.512 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.372 3.354 -16.729 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.072 3.811 -17.811 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.728 3.090 -15.109 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.537 3.939 -16.074 1.00 0.00 H new ATOM 1574 N ALA A 103 -5.964 6.522 -14.230 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.252 6.287 -13.604 1.00 0.00 C ATOM 1576 C ALA A 103 -8.201 7.428 -13.956 1.00 0.00 C ATOM 1577 O ALA A 103 -7.754 8.532 -14.278 1.00 0.00 O ATOM 1578 CB ALA A 103 -7.060 6.202 -12.086 1.00 0.00 C ATOM 0 H ALA A 103 -5.765 7.508 -14.399 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.680 5.351 -13.964 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.023 6.025 -11.607 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.382 5.382 -11.850 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.639 7.138 -11.720 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.505 7.198 -13.792 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.438 8.285 -13.491 1.00 0.00 C ATOM 1586 C ASN A 104 -10.018 8.979 -12.201 1.00 0.00 C ATOM 1587 O ASN A 104 -9.333 8.391 -11.362 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.919 7.865 -13.371 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.196 6.398 -13.190 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -12.959 5.797 -13.938 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -11.585 5.795 -12.191 1.00 0.00 N ATOM 0 H ASN A 104 -9.936 6.276 -13.862 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.383 8.954 -14.350 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.356 8.400 -12.528 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.441 8.201 -14.267 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.741 4.801 -12.023 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -10.956 6.322 -11.585 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.544 10.182 -11.989 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.288 11.043 -10.831 1.00 0.00 C ATOM 1600 C ASP A 105 -10.730 10.432 -9.502 1.00 0.00 C ATOM 1601 O ASP A 105 -10.519 11.014 -8.440 1.00 0.00 O ATOM 1602 CB ASP A 105 -10.981 12.389 -11.058 1.00 0.00 C ATOM 1603 CG ASP A 105 -10.174 13.596 -10.588 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -9.165 13.450 -9.868 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -10.487 14.727 -11.027 1.00 0.00 O ATOM 0 H ASP A 105 -11.193 10.607 -12.651 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.208 11.170 -10.750 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.194 12.500 -12.121 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.940 12.383 -10.540 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.377 9.267 -9.550 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.846 8.556 -8.369 1.00 0.00 C ATOM 1612 C ASP A 106 -10.629 8.044 -7.589 1.00 0.00 C ATOM 1613 O ASP A 106 -10.012 7.041 -7.941 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.829 7.445 -8.776 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.932 7.195 -7.741 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -13.822 7.653 -6.579 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.824 6.353 -8.005 1.00 0.00 O ATOM 0 H ASP A 106 -11.591 8.787 -10.424 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.403 9.219 -7.707 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -13.289 7.709 -9.729 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -12.274 6.520 -8.935 1.00 0.00 H new ATOM 1622 N LYS A 107 -10.208 8.785 -6.564 1.00 0.00 N ATOM 1623 CA LYS A 107 -9.027 8.564 -5.747 1.00 0.00 C ATOM 1624 C LYS A 107 -8.864 7.158 -5.189 1.00 0.00 C ATOM 1625 O LYS A 107 -7.726 6.702 -5.112 1.00 0.00 O ATOM 1626 CB LYS A 107 -9.040 9.606 -4.625 1.00 0.00 C ATOM 1627 CG LYS A 107 -8.062 10.756 -4.866 1.00 0.00 C ATOM 1628 CD LYS A 107 -8.200 11.643 -6.102 1.00 0.00 C ATOM 1629 CE LYS A 107 -7.619 11.027 -7.381 1.00 0.00 C ATOM 1630 NZ LYS A 107 -7.353 12.059 -8.400 1.00 0.00 N ATOM 0 H LYS A 107 -10.724 9.613 -6.266 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.160 8.675 -6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.048 10.009 -4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.794 9.119 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.111 11.409 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.060 10.327 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.256 11.862 -6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.703 12.594 -5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.695 10.499 -7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.315 10.289 -7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.645 11.706 -9.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.234 12.282 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -6.992 12.918 -7.938 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.939 6.454 -4.832 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.775 5.064 -4.430 1.00 0.00 C ATOM 1646 C CYS A 108 -9.280 4.248 -5.626 1.00 0.00 C ATOM 1647 O CYS A 108 -8.369 3.453 -5.446 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.043 4.396 -3.871 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.269 5.350 -2.938 1.00 0.00 S ATOM 0 H CYS A 108 -10.895 6.808 -4.813 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.053 5.079 -3.613 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.565 3.946 -4.715 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.716 3.580 -3.226 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.857 4.411 -6.826 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.471 3.637 -8.009 1.00 0.00 C ATOM 1656 C ILE A 109 -8.025 3.942 -8.380 1.00 0.00 C ATOM 1657 O ILE A 109 -7.257 3.020 -8.660 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.463 3.879 -9.165 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.820 3.256 -8.746 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.915 3.358 -10.507 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.660 2.629 -9.855 1.00 0.00 C ATOM 0 H ILE A 109 -10.604 5.084 -7.001 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.522 2.571 -7.785 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.610 4.945 -9.341 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.625 2.492 -7.994 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.416 4.032 -8.265 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.643 3.547 -11.296 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.983 3.871 -10.743 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.731 2.286 -10.433 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.582 2.230 -9.432 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.901 3.386 -10.601 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.098 1.822 -10.325 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.660 5.223 -8.359 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.311 5.704 -8.505 1.00 0.00 C ATOM 1675 C TRP A 110 -5.362 4.977 -7.547 1.00 0.00 C ATOM 1676 O TRP A 110 -4.508 4.222 -8.014 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.338 7.222 -8.315 1.00 0.00 C ATOM 1678 CG TRP A 110 -5.004 7.871 -8.357 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -4.149 7.786 -9.391 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -4.317 8.609 -7.313 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.992 8.473 -9.083 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -3.031 8.970 -7.796 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.654 9.001 -6.005 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -2.121 9.677 -7.000 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.723 9.681 -5.194 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.455 10.021 -5.685 1.00 0.00 C ATOM 0 H TRP A 110 -8.335 5.977 -8.234 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.919 5.490 -9.499 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.966 7.661 -9.090 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.808 7.447 -7.358 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.338 7.263 -10.317 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.209 8.597 -9.724 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.637 8.778 -5.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -1.159 9.958 -7.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.990 9.943 -4.181 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.746 10.541 -5.058 1.00 0.00 H new ATOM 1697 N THR A 111 -5.508 5.150 -6.230 1.00 0.00 N ATOM 1698 CA THR A 111 -4.615 4.551 -5.244 1.00 0.00 C ATOM 1699 C THR A 111 -4.657 3.009 -5.288 1.00 0.00 C ATOM 1700 O THR A 111 -3.614 2.378 -5.134 1.00 0.00 O ATOM 1701 CB THR A 111 -4.949 5.130 -3.863 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.723 6.523 -3.872 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.062 4.529 -2.765 1.00 0.00 C ATOM 0 H THR A 111 -6.253 5.713 -5.820 1.00 0.00 H new ATOM 0 HA THR A 111 -3.582 4.806 -5.480 1.00 0.00 H new ATOM 0 HB THR A 111 -5.992 4.892 -3.655 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.715 6.847 -4.797 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.329 4.965 -1.802 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.209 3.450 -2.728 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.016 4.745 -2.983 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.805 2.376 -5.578 1.00 0.00 N ATOM 1712 CA LEU A 112 -5.899 0.945 -5.857 1.00 0.00 C ATOM 1713 C LEU A 112 -4.911 0.597 -6.977 1.00 0.00 C ATOM 1714 O LEU A 112 -4.145 -0.351 -6.836 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.370 0.565 -6.181 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.572 -0.664 -7.045 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -7.205 -1.964 -6.330 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -9.004 -0.775 -7.576 1.00 0.00 C ATOM 0 H LEU A 112 -6.704 2.856 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.621 0.353 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.899 0.412 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.841 1.413 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.890 -0.528 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.371 -2.807 -7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.155 -1.934 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.826 -2.079 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.096 -1.672 -8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.699 -0.835 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.237 0.102 -8.179 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.882 1.365 -8.066 1.00 0.00 N ATOM 1731 CA GLY A 113 -3.944 1.190 -9.164 1.00 0.00 C ATOM 1732 C GLY A 113 -2.490 1.364 -8.720 1.00 0.00 C ATOM 1733 O GLY A 113 -1.645 0.539 -9.076 1.00 0.00 O ATOM 0 H GLY A 113 -5.527 2.143 -8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.074 0.197 -9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.170 1.910 -9.950 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.175 2.397 -7.934 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.821 2.608 -7.416 1.00 0.00 C ATOM 1739 C VAL A 114 -0.390 1.375 -6.597 1.00 0.00 C ATOM 1740 O VAL A 114 0.739 0.905 -6.736 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.737 3.941 -6.628 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.696 4.273 -6.185 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.209 5.144 -7.467 1.00 0.00 C ATOM 0 H VAL A 114 -2.847 3.106 -7.640 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.113 2.709 -8.238 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.384 3.786 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.698 5.216 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.071 3.478 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.337 4.361 -7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.132 6.055 -6.873 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.584 5.236 -8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.246 4.994 -7.768 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.287 0.773 -5.808 1.00 0.00 N ATOM 1754 CA ALA A 115 -1.002 -0.481 -5.119 1.00 0.00 C ATOM 1755 C ALA A 115 -0.899 -1.669 -6.083 1.00 0.00 C ATOM 1756 O ALA A 115 -0.053 -2.536 -5.880 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.070 -0.751 -4.061 1.00 0.00 C ATOM 0 H ALA A 115 -2.222 1.141 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.029 -0.373 -4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.849 -1.689 -3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.077 0.063 -3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.047 -0.819 -4.539 1.00 0.00 H new ATOM 1763 N THR A 116 -1.741 -1.743 -7.116 1.00 0.00 N ATOM 1764 CA THR A 116 -1.789 -2.873 -8.031 1.00 0.00 C ATOM 1765 C THR A 116 -0.490 -2.962 -8.845 1.00 0.00 C ATOM 1766 O THR A 116 0.033 -4.070 -9.013 1.00 0.00 O ATOM 1767 CB THR A 116 -3.031 -2.782 -8.938 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.227 -2.562 -8.213 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.280 -4.098 -9.669 1.00 0.00 C ATOM 0 H THR A 116 -2.414 -1.009 -7.339 1.00 0.00 H new ATOM 0 HA THR A 116 -1.875 -3.792 -7.452 1.00 0.00 H new ATOM 0 HB THR A 116 -2.813 -1.953 -9.611 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.320 -1.606 -8.017 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.163 -4.002 -10.301 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.416 -4.340 -10.288 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.439 -4.894 -8.941 1.00 0.00 H new ATOM 1777 N CYS A 117 0.064 -1.833 -9.321 1.00 0.00 N ATOM 1778 CA CYS A 117 1.332 -1.843 -10.058 1.00 0.00 C ATOM 1779 C CYS A 117 2.402 -2.461 -9.155 1.00 0.00 C ATOM 1780 O CYS A 117 3.099 -3.403 -9.540 1.00 0.00 O ATOM 1781 CB CYS A 117 1.736 -0.431 -10.546 1.00 0.00 C ATOM 1782 SG CYS A 117 2.450 0.706 -9.316 1.00 0.00 S ATOM 0 H CYS A 117 -0.348 -0.907 -9.207 1.00 0.00 H new ATOM 0 HA CYS A 117 1.221 -2.442 -10.962 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.456 -0.547 -11.356 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.852 0.044 -10.972 1.00 0.00 H new ATOM 1787 N PHE A 118 2.458 -1.945 -7.927 1.00 0.00 N ATOM 1788 CA PHE A 118 3.442 -2.215 -6.907 1.00 0.00 C ATOM 1789 C PHE A 118 3.353 -3.663 -6.444 1.00 0.00 C ATOM 1790 O PHE A 118 4.396 -4.287 -6.273 1.00 0.00 O ATOM 1791 CB PHE A 118 3.198 -1.191 -5.794 1.00 0.00 C ATOM 1792 CG PHE A 118 4.097 -1.292 -4.584 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.363 -0.680 -4.601 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.645 -1.938 -3.417 1.00 0.00 C ATOM 1795 CE1 PHE A 118 6.168 -0.689 -3.453 1.00 0.00 C ATOM 1796 CE2 PHE A 118 4.454 -1.958 -2.268 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.710 -1.321 -2.280 1.00 0.00 C ATOM 0 H PHE A 118 1.757 -1.277 -7.606 1.00 0.00 H new ATOM 0 HA PHE A 118 4.463 -2.107 -7.274 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.305 -0.193 -6.218 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.164 -1.287 -5.461 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.717 -0.201 -5.502 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.677 -2.418 -3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.137 -0.212 -3.468 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.113 -2.462 -1.376 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.322 -1.317 -1.390 1.00 0.00 H new ATOM 1807 N LYS A 119 2.145 -4.231 -6.308 1.00 0.00 N ATOM 1808 CA LYS A 119 1.930 -5.638 -5.975 1.00 0.00 C ATOM 1809 C LYS A 119 2.784 -6.505 -6.885 1.00 0.00 C ATOM 1810 O LYS A 119 3.647 -7.222 -6.389 1.00 0.00 O ATOM 1811 CB LYS A 119 0.430 -6.002 -6.046 1.00 0.00 C ATOM 1812 CG LYS A 119 0.140 -7.484 -5.716 1.00 0.00 C ATOM 1813 CD LYS A 119 0.011 -8.409 -6.944 1.00 0.00 C ATOM 1814 CE LYS A 119 -1.422 -8.924 -7.119 1.00 0.00 C ATOM 1815 NZ LYS A 119 -1.762 -10.025 -6.184 1.00 0.00 N ATOM 0 H LYS A 119 1.276 -3.710 -6.430 1.00 0.00 H new ATOM 0 HA LYS A 119 2.239 -5.822 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -0.123 -5.368 -5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.057 -5.781 -7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 119 0.938 -7.862 -5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.783 -7.539 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 119 0.315 -7.868 -7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 119 0.691 -9.254 -6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.119 -8.100 -6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.555 -9.271 -8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.657 -10.466 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.004 -10.737 -6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.864 -9.644 -5.222 1.00 0.00 H new ATOM 1829 N ALA A 120 2.566 -6.424 -8.197 1.00 0.00 N ATOM 1830 CA ALA A 120 3.332 -7.211 -9.151 1.00 0.00 C ATOM 1831 C ALA A 120 4.829 -6.983 -8.982 1.00 0.00 C ATOM 1832 O ALA A 120 5.579 -7.959 -8.953 1.00 0.00 O ATOM 1833 CB ALA A 120 2.877 -6.873 -10.560 1.00 0.00 C ATOM 0 H ALA A 120 1.863 -5.819 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 120 3.151 -8.269 -8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.449 -7.461 -11.278 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.817 -7.103 -10.665 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.038 -5.812 -10.750 1.00 0.00 H new ATOM 1839 N GLU A 121 5.280 -5.739 -8.813 1.00 0.00 N ATOM 1840 CA GLU A 121 6.689 -5.492 -8.561 1.00 0.00 C ATOM 1841 C GLU A 121 7.180 -6.277 -7.341 1.00 0.00 C ATOM 1842 O GLU A 121 8.221 -6.902 -7.450 1.00 0.00 O ATOM 1843 CB GLU A 121 7.018 -4.000 -8.461 1.00 0.00 C ATOM 1844 CG GLU A 121 6.632 -3.169 -9.696 1.00 0.00 C ATOM 1845 CD GLU A 121 7.023 -3.799 -11.044 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.203 -3.682 -11.450 1.00 0.00 O ATOM 1847 OE2 GLU A 121 6.151 -4.364 -11.742 1.00 0.00 O ATOM 0 H GLU A 121 4.696 -4.903 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 121 7.237 -5.860 -9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.509 -3.588 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.088 -3.889 -8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.554 -3.007 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.102 -2.189 -9.619 1.00 0.00 H new ATOM 1854 N ILE A 122 6.441 -6.376 -6.231 1.00 0.00 N ATOM 1855 CA ILE A 122 6.870 -7.169 -5.069 1.00 0.00 C ATOM 1856 C ILE A 122 7.042 -8.633 -5.462 1.00 0.00 C ATOM 1857 O ILE A 122 8.063 -9.239 -5.134 1.00 0.00 O ATOM 1858 CB ILE A 122 5.891 -7.055 -3.884 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.503 -5.608 -3.532 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.433 -7.755 -2.625 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.623 -4.567 -3.678 1.00 0.00 C ATOM 0 H ILE A 122 5.539 -5.916 -6.111 1.00 0.00 H new ATOM 0 HA ILE A 122 7.827 -6.762 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 122 4.988 -7.561 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.669 -5.310 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.144 -5.587 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.713 -7.652 -1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.592 -8.812 -2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.378 -7.297 -2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.243 -3.583 -3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.452 -4.830 -3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.970 -4.548 -4.711 1.00 0.00 H new ATOM 1873 N HIS A 123 6.061 -9.188 -6.173 1.00 0.00 N ATOM 1874 CA HIS A 123 6.122 -10.549 -6.689 1.00 0.00 C ATOM 1875 C HIS A 123 7.225 -10.739 -7.749 1.00 0.00 C ATOM 1876 O HIS A 123 7.552 -11.880 -8.068 1.00 0.00 O ATOM 1877 CB HIS A 123 4.756 -10.953 -7.258 1.00 0.00 C ATOM 1878 CG HIS A 123 3.673 -11.214 -6.238 1.00 0.00 C ATOM 1879 ND1 HIS A 123 3.272 -12.458 -5.807 1.00 0.00 N ATOM 1880 CD2 HIS A 123 2.864 -10.295 -5.626 1.00 0.00 C ATOM 1881 CE1 HIS A 123 2.222 -12.293 -4.987 1.00 0.00 C ATOM 1882 NE2 HIS A 123 1.909 -10.990 -4.880 1.00 0.00 N ATOM 0 H HIS A 123 5.197 -8.700 -6.407 1.00 0.00 H new ATOM 0 HA HIS A 123 6.379 -11.199 -5.853 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.415 -10.165 -7.929 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.886 -11.852 -7.861 1.00 0.00 H new ATOM 0 HD2 HIS A 123 2.949 -9.221 -5.706 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.702 -13.095 -4.484 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.130 -10.589 -4.358 1.00 0.00 H new ATOM 1890 N LYS A 124 7.816 -9.681 -8.321 1.00 0.00 N ATOM 1891 CA LYS A 124 8.968 -9.756 -9.214 1.00 0.00 C ATOM 1892 C LYS A 124 10.242 -9.667 -8.393 1.00 0.00 C ATOM 1893 O LYS A 124 11.251 -10.299 -8.693 1.00 0.00 O ATOM 1894 CB LYS A 124 8.854 -8.655 -10.276 1.00 0.00 C ATOM 1895 CG LYS A 124 9.944 -7.613 -10.235 1.00 0.00 C ATOM 1896 CD LYS A 124 9.736 -6.423 -11.152 1.00 0.00 C ATOM 1897 CE LYS A 124 9.720 -6.817 -12.621 1.00 0.00 C ATOM 1898 NZ LYS A 124 9.893 -5.628 -13.467 1.00 0.00 N ATOM 0 H LYS A 124 7.493 -8.726 -8.168 1.00 0.00 H new ATOM 0 HA LYS A 124 8.996 -10.708 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.854 -9.121 -11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 124 7.892 -8.157 -10.159 1.00 0.00 H new ATOM 0 HG2 LYS A 124 10.039 -7.250 -9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.890 -8.089 -10.494 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.795 -5.934 -10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.529 -5.695 -10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.516 -7.534 -12.821 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.779 -7.310 -12.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.475 -5.804 -14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.420 -4.815 -13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.907 -5.423 -13.574 1.00 0.00 H new ATOM 1912 N LEU A 125 10.229 -8.773 -7.413 1.00 0.00 N ATOM 1913 CA LEU A 125 11.371 -8.454 -6.582 1.00 0.00 C ATOM 1914 C LEU A 125 11.664 -9.666 -5.704 1.00 0.00 C ATOM 1915 O LEU A 125 12.824 -9.965 -5.426 1.00 0.00 O ATOM 1916 CB LEU A 125 11.091 -7.190 -5.755 1.00 0.00 C ATOM 1917 CG LEU A 125 11.055 -5.907 -6.612 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.320 -4.760 -5.922 1.00 0.00 C ATOM 1919 CD2 LEU A 125 12.465 -5.448 -6.961 1.00 0.00 C ATOM 0 H LEU A 125 9.396 -8.236 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 125 12.249 -8.237 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.137 -7.303 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.858 -7.087 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 125 10.509 -6.165 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.325 -3.883 -6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.291 -5.056 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.819 -4.521 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.414 -4.542 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.018 -5.242 -6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 125 12.974 -6.231 -7.523 1.00 0.00 H new ATOM 1931 N ASN A 126 10.593 -10.411 -5.415 1.00 0.00 N ATOM 1932 CA ASN A 126 10.443 -11.733 -4.832 1.00 0.00 C ATOM 1933 C ASN A 126 10.201 -11.630 -3.326 1.00 0.00 C ATOM 1934 O ASN A 126 10.560 -12.526 -2.561 1.00 0.00 O ATOM 1935 CB ASN A 126 11.597 -12.670 -5.234 1.00 0.00 C ATOM 1936 CG ASN A 126 11.137 -14.112 -5.363 1.00 0.00 C ATOM 1937 OD1 ASN A 126 9.992 -14.378 -5.715 1.00 0.00 O ATOM 1938 ND2 ASN A 126 12.033 -15.066 -5.195 1.00 0.00 N ATOM 0 H ASN A 126 9.670 -10.030 -5.622 1.00 0.00 H new ATOM 0 HA ASN A 126 9.553 -12.206 -5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 126 12.021 -12.338 -6.182 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.391 -12.607 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.778 -16.040 -5.358 1.00 0.00 H new ATOM 0 HD22 ASN A 126 12.981 -14.829 -4.902 1.00 0.00 H new ATOM 1945 N TRP A 127 9.613 -10.509 -2.883 1.00 0.00 N ATOM 1946 CA TRP A 127 9.532 -10.144 -1.474 1.00 0.00 C ATOM 1947 C TRP A 127 8.258 -10.628 -0.759 1.00 0.00 C ATOM 1948 O TRP A 127 7.837 -10.006 0.221 1.00 0.00 O ATOM 1949 CB TRP A 127 9.874 -8.668 -1.222 1.00 0.00 C ATOM 1950 CG TRP A 127 11.065 -8.037 -1.888 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.246 -8.625 -2.169 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.240 -6.637 -2.257 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.162 -7.664 -2.546 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.608 -6.402 -2.573 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.378 -5.530 -2.314 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.117 -5.109 -2.794 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 10.853 -4.239 -2.569 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.226 -4.018 -2.766 1.00 0.00 C ATOM 0 H TRP A 127 9.178 -9.828 -3.505 1.00 0.00 H new ATOM 0 HA TRP A 127 10.323 -10.714 -0.987 1.00 0.00 H new ATOM 0 HB2 TRP A 127 8.999 -8.082 -1.505 1.00 0.00 H new ATOM 0 HB3 TRP A 127 10.005 -8.547 -0.147 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.444 -9.685 -2.108 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.135 -7.864 -2.778 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.320 -5.679 -2.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.170 -4.956 -2.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.162 -3.410 -2.614 1.00 0.00 H new ATOM 0 HH2 TRP A 127 12.598 -3.013 -2.896 1.00 0.00 H new ATOM 1969 N ALA A 128 7.644 -11.733 -1.199 1.00 0.00 N ATOM 1970 CA ALA A 128 6.449 -12.296 -0.575 1.00 0.00 C ATOM 1971 C ALA A 128 6.525 -13.813 -0.560 1.00 0.00 C ATOM 1972 O ALA A 128 6.111 -14.445 -1.553 1.00 0.00 O ATOM 1973 CB ALA A 128 5.206 -11.777 -1.301 1.00 0.00 C ATOM 0 H ALA A 128 7.969 -12.264 -2.007 1.00 0.00 H new ATOM 0 HA ALA A 128 6.384 -11.976 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.313 -12.196 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.174 -10.689 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.245 -12.076 -2.349 1.00 0.00 H new TER 1979 ALA A 128