USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 740 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 41 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0184) USER MOD Set 1.2: A 78 TYR OH : rot 11:sc= 0.234 USER MOD Set 2.1: A 31 HIS : no HD1:sc= -0.0283 X(o=0.056,f=0.085) USER MOD Set 2.2: A 57 SER OG : rot 150:sc= 0.0846 USER MOD Set 3.1: A 13 HIS : no HD1:sc= 0.128 K(o=-1.5,f=-0.43) USER MOD Set 3.2: A 21 ASN : amide:sc= -1.63 K(o=-1.5,f=-0.085) USER MOD Single : A 6 MET CE :methyl -160:sc= -0.164 (180deg=-0.761) USER MOD Single : A 8 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 117:sc= 1.27 USER MOD Single : A 17 ASN : amide:sc= 0.847 K(o=0.85,f=-7.8!) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= -0.0323 (180deg=-0.143) USER MOD Single : A 20 SER OG : rot 67:sc= -1.08! USER MOD Single : A 24 ASN : amide:sc= -2.22 K(o=-2.2,f=-1.7!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.91 K(o=-1.9,f=-0.97) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0617 (180deg=-0.36) USER MOD Single : A 51 HIS : no HE2:sc= 0.0163 X(o=0.016,f=-0.16) USER MOD Single : A 52 SER OG : rot 30:sc= 0.0551 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 147:sc= 1.24 (180deg=1.02) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 170:sc= -0.304 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00907 USER MOD Single : A 73 THR OG1 : rot -143:sc= 1.9 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 84 HIS : no HD1:sc= -4.19 K(o=-4.2,f=-8.6!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 91 LYS NZ :NH3+ -149:sc= -0.34 (180deg=-1.28!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.967 -6.983 7.763 1.00 0.00 N ATOM 2 CA MET A 6 5.627 -7.296 7.298 1.00 0.00 C ATOM 3 C MET A 6 4.901 -6.001 6.961 1.00 0.00 C ATOM 4 O MET A 6 5.216 -4.950 7.514 1.00 0.00 O ATOM 5 CB MET A 6 4.858 -8.074 8.373 1.00 0.00 C ATOM 6 CG MET A 6 3.507 -8.595 7.903 1.00 0.00 C ATOM 7 SD MET A 6 2.618 -9.500 9.187 1.00 0.00 S ATOM 8 CE MET A 6 3.793 -10.800 9.564 1.00 0.00 C ATOM 0 HA MET A 6 5.689 -7.919 6.406 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.466 -8.915 8.705 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.707 -7.428 9.238 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.897 -7.757 7.568 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.654 -9.247 7.042 1.00 0.00 H new ATOM 0 HE1 MET A 6 3.277 -11.625 10.055 1.00 0.00 H new ATOM 0 HE2 MET A 6 4.250 -11.156 8.641 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.567 -10.410 10.226 1.00 0.00 H new ATOM 17 N ILE A 7 3.949 -6.076 6.046 1.00 0.00 N ATOM 18 CA ILE A 7 3.226 -4.893 5.612 1.00 0.00 C ATOM 19 C ILE A 7 2.015 -4.669 6.509 1.00 0.00 C ATOM 20 O ILE A 7 1.259 -5.599 6.779 1.00 0.00 O ATOM 21 CB ILE A 7 2.714 -5.033 4.153 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.589 -5.981 3.338 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.648 -3.680 3.461 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.895 -6.513 2.099 1.00 0.00 C ATOM 0 H ILE A 7 3.660 -6.941 5.590 1.00 0.00 H new ATOM 0 HA ILE A 7 3.920 -4.055 5.670 1.00 0.00 H new ATOM 0 HB ILE A 7 1.709 -5.452 4.211 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.500 -5.461 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.890 -6.819 3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.286 -3.810 2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.968 -3.025 4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.642 -3.234 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.569 -7.181 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.998 -7.060 2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.618 -5.681 1.452 1.00 0.00 H new ATOM 36 N GLN A 8 1.842 -3.446 6.981 1.00 0.00 N ATOM 37 CA GLN A 8 0.672 -3.099 7.764 1.00 0.00 C ATOM 38 C GLN A 8 -0.057 -1.932 7.104 1.00 0.00 C ATOM 39 O GLN A 8 0.465 -0.818 7.050 1.00 0.00 O ATOM 40 CB GLN A 8 1.074 -2.753 9.201 1.00 0.00 C ATOM 41 CG GLN A 8 1.696 -3.923 9.964 1.00 0.00 C ATOM 42 CD GLN A 8 2.094 -3.555 11.384 1.00 0.00 C ATOM 43 OE1 GLN A 8 2.094 -4.400 12.278 1.00 0.00 O ATOM 44 NE2 GLN A 8 2.432 -2.294 11.608 1.00 0.00 N ATOM 0 H GLN A 8 2.497 -2.678 6.835 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.002 -3.955 7.803 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.783 -1.926 9.181 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.194 -2.405 9.741 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.987 -4.750 9.993 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.575 -4.276 9.425 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.421 -1.619 10.843 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.703 -1.998 12.545 1.00 0.00 H new ATOM 53 N VAL A 9 -1.239 -2.199 6.566 1.00 0.00 N ATOM 54 CA VAL A 9 -2.022 -1.162 5.898 1.00 0.00 C ATOM 55 C VAL A 9 -2.984 -0.473 6.855 1.00 0.00 C ATOM 56 O VAL A 9 -3.455 -1.068 7.823 1.00 0.00 O ATOM 57 CB VAL A 9 -2.829 -1.713 4.698 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.925 -1.932 3.500 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.526 -3.005 5.075 1.00 0.00 C ATOM 0 H VAL A 9 -1.678 -3.120 6.577 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.293 -0.439 5.532 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.585 -0.976 4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.512 -2.320 2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.467 -0.986 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.145 -2.648 3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.089 -3.378 4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.784 -3.746 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.208 -2.822 5.905 1.00 0.00 H new ATOM 69 N TYR A 10 -3.265 0.786 6.551 1.00 0.00 N ATOM 70 CA TYR A 10 -4.133 1.635 7.358 1.00 0.00 C ATOM 71 C TYR A 10 -4.726 2.719 6.473 1.00 0.00 C ATOM 72 O TYR A 10 -4.482 2.751 5.263 1.00 0.00 O ATOM 73 CB TYR A 10 -3.364 2.298 8.510 1.00 0.00 C ATOM 74 CG TYR A 10 -3.047 1.372 9.679 1.00 0.00 C ATOM 75 CD1 TYR A 10 -4.054 0.670 10.337 1.00 0.00 C ATOM 76 CD2 TYR A 10 -1.738 1.202 10.121 1.00 0.00 C ATOM 77 CE1 TYR A 10 -3.764 -0.176 11.398 1.00 0.00 C ATOM 78 CE2 TYR A 10 -1.443 0.358 11.180 1.00 0.00 C ATOM 79 CZ TYR A 10 -2.460 -0.326 11.812 1.00 0.00 C ATOM 80 OH TYR A 10 -2.167 -1.172 12.859 1.00 0.00 O ATOM 0 H TYR A 10 -2.892 1.254 5.725 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.917 1.010 7.786 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.430 2.702 8.120 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.947 3.142 8.880 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.079 0.786 10.016 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.938 1.737 9.630 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.557 -0.714 11.896 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.421 0.237 11.509 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.201 -1.165 13.025 1.00 0.00 H new ATOM 90 N SER A 11 -5.507 3.599 7.067 1.00 0.00 N ATOM 91 CA SER A 11 -6.050 4.734 6.345 1.00 0.00 C ATOM 92 C SER A 11 -5.906 5.994 7.191 1.00 0.00 C ATOM 93 O SER A 11 -5.764 5.918 8.411 1.00 0.00 O ATOM 94 CB SER A 11 -7.535 4.482 6.024 1.00 0.00 C ATOM 95 OG SER A 11 -8.308 4.505 7.211 1.00 0.00 O ATOM 0 H SER A 11 -5.780 3.551 8.048 1.00 0.00 H new ATOM 0 HA SER A 11 -5.502 4.866 5.412 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.898 5.242 5.331 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.648 3.518 5.528 1.00 0.00 H new ATOM 0 HG SER A 11 -8.951 5.244 7.169 1.00 0.00 H new ATOM 101 N ARG A 12 -5.931 7.153 6.538 1.00 0.00 N ATOM 102 CA ARG A 12 -5.784 8.424 7.242 1.00 0.00 C ATOM 103 C ARG A 12 -7.136 8.925 7.745 1.00 0.00 C ATOM 104 O ARG A 12 -7.205 9.811 8.593 1.00 0.00 O ATOM 105 CB ARG A 12 -5.141 9.473 6.326 1.00 0.00 C ATOM 106 CG ARG A 12 -3.977 10.212 6.977 1.00 0.00 C ATOM 107 CD ARG A 12 -4.430 11.083 8.138 1.00 0.00 C ATOM 108 NE ARG A 12 -5.011 12.344 7.687 1.00 0.00 N ATOM 109 CZ ARG A 12 -5.950 13.016 8.352 1.00 0.00 C ATOM 110 NH1 ARG A 12 -6.513 12.488 9.432 1.00 0.00 N ATOM 111 NH2 ARG A 12 -6.332 14.210 7.927 1.00 0.00 N ATOM 0 H ARG A 12 -6.051 7.239 5.529 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.134 8.262 8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.789 8.985 5.417 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.899 10.196 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.242 9.489 7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.480 10.832 6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.163 10.539 8.733 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.580 11.289 8.789 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.677 12.736 6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.227 11.564 9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.231 13.006 9.938 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.908 14.614 7.092 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.051 14.726 8.435 1.00 0.00 H new ATOM 125 N HIS A 13 -8.205 8.337 7.232 1.00 0.00 N ATOM 126 CA HIS A 13 -9.558 8.753 7.576 1.00 0.00 C ATOM 127 C HIS A 13 -10.429 7.530 7.834 1.00 0.00 C ATOM 128 O HIS A 13 -10.145 6.446 7.323 1.00 0.00 O ATOM 129 CB HIS A 13 -10.170 9.575 6.439 1.00 0.00 C ATOM 130 CG HIS A 13 -9.434 10.839 6.117 1.00 0.00 C ATOM 131 ND1 HIS A 13 -8.706 10.969 4.957 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.364 11.998 6.815 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.214 12.197 4.976 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.586 12.856 6.081 1.00 0.00 N ATOM 0 H HIS A 13 -8.162 7.563 6.569 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.510 9.366 8.476 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.212 8.956 5.543 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.198 9.825 6.702 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.831 12.206 7.766 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.591 12.615 4.199 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.338 13.814 6.329 1.00 0.00 H new ATOM 142 N PRO A 14 -11.496 7.690 8.635 1.00 0.00 N ATOM 143 CA PRO A 14 -12.467 6.613 8.893 1.00 0.00 C ATOM 144 C PRO A 14 -13.176 6.179 7.605 1.00 0.00 C ATOM 145 O PRO A 14 -13.480 7.010 6.747 1.00 0.00 O ATOM 146 CB PRO A 14 -13.465 7.247 9.874 1.00 0.00 C ATOM 147 CG PRO A 14 -12.744 8.431 10.447 1.00 0.00 C ATOM 148 CD PRO A 14 -11.853 8.931 9.346 1.00 0.00 C ATOM 0 HA PRO A 14 -11.994 5.713 9.287 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.380 7.550 9.366 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.752 6.543 10.655 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.446 9.202 10.764 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.162 8.149 11.325 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.369 9.637 8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -10.973 9.442 9.737 1.00 0.00 H new ATOM 156 N ALA A 15 -13.400 4.877 7.466 1.00 0.00 N ATOM 157 CA ALA A 15 -14.022 4.303 6.269 1.00 0.00 C ATOM 158 C ALA A 15 -15.480 4.741 6.091 1.00 0.00 C ATOM 159 O ALA A 15 -16.354 4.304 6.845 1.00 0.00 O ATOM 160 CB ALA A 15 -13.954 2.774 6.343 1.00 0.00 C ATOM 0 H ALA A 15 -13.157 4.187 8.177 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.466 4.672 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.416 2.346 5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.912 2.458 6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.485 2.429 7.230 1.00 0.00 H new ATOM 166 N GLU A 16 -15.752 5.592 5.096 1.00 0.00 N ATOM 167 CA GLU A 16 -17.141 5.915 4.743 1.00 0.00 C ATOM 168 C GLU A 16 -17.497 5.318 3.370 1.00 0.00 C ATOM 169 O GLU A 16 -16.933 5.722 2.350 1.00 0.00 O ATOM 170 CB GLU A 16 -17.403 7.439 4.722 1.00 0.00 C ATOM 171 CG GLU A 16 -17.761 8.081 6.066 1.00 0.00 C ATOM 172 CD GLU A 16 -16.561 8.360 6.938 1.00 0.00 C ATOM 173 OE1 GLU A 16 -15.795 9.288 6.613 1.00 0.00 O ATOM 174 OE2 GLU A 16 -16.407 7.689 7.978 1.00 0.00 O ATOM 0 H GLU A 16 -15.046 6.062 4.530 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.773 5.477 5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.514 7.934 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.213 7.638 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.293 9.015 5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.445 7.424 6.603 1.00 0.00 H new ATOM 181 N ASN A 17 -18.401 4.329 3.363 1.00 0.00 N ATOM 182 CA ASN A 17 -18.926 3.720 2.136 1.00 0.00 C ATOM 183 C ASN A 17 -19.454 4.780 1.147 1.00 0.00 C ATOM 184 O ASN A 17 -20.587 5.251 1.274 1.00 0.00 O ATOM 185 CB ASN A 17 -20.035 2.696 2.530 1.00 0.00 C ATOM 186 CG ASN A 17 -19.477 1.396 3.085 1.00 0.00 C ATOM 187 OD1 ASN A 17 -18.332 1.026 2.820 1.00 0.00 O ATOM 188 ND2 ASN A 17 -20.298 0.677 3.837 1.00 0.00 N ATOM 0 H ASN A 17 -18.791 3.927 4.216 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.119 3.203 1.616 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -20.692 3.149 3.273 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.647 2.477 1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -19.989 -0.217 4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.239 1.018 4.034 1.00 0.00 H new ATOM 195 N GLY A 18 -18.612 5.147 0.164 1.00 0.00 N ATOM 196 CA GLY A 18 -19.000 6.126 -0.856 1.00 0.00 C ATOM 197 C GLY A 18 -18.100 7.349 -0.914 1.00 0.00 C ATOM 198 O GLY A 18 -18.339 8.252 -1.717 1.00 0.00 O ATOM 0 H GLY A 18 -17.666 4.781 0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.997 5.639 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.023 6.449 -0.664 1.00 0.00 H new ATOM 202 N LYS A 19 -17.074 7.406 -0.076 1.00 0.00 N ATOM 203 CA LYS A 19 -16.125 8.528 -0.144 1.00 0.00 C ATOM 204 C LYS A 19 -14.773 8.079 -0.670 1.00 0.00 C ATOM 205 O LYS A 19 -14.441 6.897 -0.621 1.00 0.00 O ATOM 206 CB LYS A 19 -15.889 9.147 1.234 1.00 0.00 C ATOM 207 CG LYS A 19 -17.120 9.284 2.110 1.00 0.00 C ATOM 208 CD LYS A 19 -18.222 10.126 1.494 1.00 0.00 C ATOM 209 CE LYS A 19 -17.788 11.570 1.256 1.00 0.00 C ATOM 210 NZ LYS A 19 -17.353 12.245 2.510 1.00 0.00 N ATOM 0 H LYS A 19 -16.873 6.712 0.644 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.572 9.260 -0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.154 8.541 1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.450 10.135 1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.513 8.290 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.828 9.725 3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.529 9.681 0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.093 10.115 2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.971 11.587 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.614 12.127 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.231 13.262 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.074 12.107 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.450 11.838 2.828 1.00 0.00 H new ATOM 224 N SER A 20 -13.999 9.034 -1.181 1.00 0.00 N ATOM 225 CA SER A 20 -12.604 8.772 -1.480 1.00 0.00 C ATOM 226 C SER A 20 -11.718 9.374 -0.407 1.00 0.00 C ATOM 227 O SER A 20 -12.051 10.390 0.212 1.00 0.00 O ATOM 228 CB SER A 20 -12.169 9.254 -2.871 1.00 0.00 C ATOM 229 OG SER A 20 -10.967 8.623 -3.280 1.00 0.00 O ATOM 0 H SER A 20 -14.313 9.981 -1.392 1.00 0.00 H new ATOM 0 HA SER A 20 -12.490 7.688 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.957 9.044 -3.594 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.029 10.335 -2.857 1.00 0.00 H new ATOM 0 HG SER A 20 -11.129 7.666 -3.414 1.00 0.00 H new ATOM 235 N ASN A 21 -10.591 8.737 -0.215 1.00 0.00 N ATOM 236 CA ASN A 21 -9.598 9.129 0.766 1.00 0.00 C ATOM 237 C ASN A 21 -8.269 8.644 0.210 1.00 0.00 C ATOM 238 O ASN A 21 -8.059 8.702 -0.999 1.00 0.00 O ATOM 239 CB ASN A 21 -9.866 8.495 2.144 1.00 0.00 C ATOM 240 CG ASN A 21 -11.272 8.728 2.684 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.219 8.037 2.312 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.410 9.655 3.609 1.00 0.00 N ATOM 0 H ASN A 21 -10.327 7.909 -0.748 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.615 10.207 0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.690 7.421 2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.145 8.892 2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.321 9.816 4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.606 10.212 3.897 1.00 0.00 H new ATOM 249 N PHE A 22 -7.396 8.115 1.052 1.00 0.00 N ATOM 250 CA PHE A 22 -6.119 7.600 0.580 1.00 0.00 C ATOM 251 C PHE A 22 -5.773 6.293 1.282 1.00 0.00 C ATOM 252 O PHE A 22 -5.841 6.213 2.511 1.00 0.00 O ATOM 253 CB PHE A 22 -5.020 8.634 0.813 1.00 0.00 C ATOM 254 CG PHE A 22 -5.041 9.763 -0.178 1.00 0.00 C ATOM 255 CD1 PHE A 22 -4.846 11.074 0.229 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.265 9.507 -1.520 1.00 0.00 C ATOM 257 CE1 PHE A 22 -4.868 12.107 -0.689 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.290 10.534 -2.443 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.091 11.835 -2.028 1.00 0.00 C ATOM 0 H PHE A 22 -7.545 8.031 2.058 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.198 7.403 -0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.123 9.042 1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.050 8.139 0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.675 11.290 1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.422 8.491 -1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.712 13.124 -0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.465 10.320 -3.487 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.109 12.640 -2.747 1.00 0.00 H new ATOM 269 N LEU A 23 -5.418 5.267 0.508 1.00 0.00 N ATOM 270 CA LEU A 23 -5.016 3.986 1.103 1.00 0.00 C ATOM 271 C LEU A 23 -3.537 4.023 1.455 1.00 0.00 C ATOM 272 O LEU A 23 -2.690 4.293 0.606 1.00 0.00 O ATOM 273 CB LEU A 23 -5.330 2.793 0.176 1.00 0.00 C ATOM 274 CG LEU A 23 -4.703 1.432 0.574 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.045 1.041 2.008 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.165 0.336 -0.379 1.00 0.00 C ATOM 0 H LEU A 23 -5.399 5.292 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.598 3.841 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.412 2.671 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.994 3.044 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.621 1.545 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.585 0.081 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.668 1.801 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.127 0.961 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.716 -0.613 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.251 0.252 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.859 0.584 -1.395 1.00 0.00 H new ATOM 288 N ASN A 24 -3.247 3.765 2.717 1.00 0.00 N ATOM 289 CA ASN A 24 -1.878 3.842 3.231 1.00 0.00 C ATOM 290 C ASN A 24 -1.312 2.444 3.462 1.00 0.00 C ATOM 291 O ASN A 24 -1.891 1.635 4.188 1.00 0.00 O ATOM 292 CB ASN A 24 -1.823 4.699 4.525 1.00 0.00 C ATOM 293 CG ASN A 24 -0.837 4.185 5.558 1.00 0.00 C ATOM 294 OD1 ASN A 24 -1.160 3.314 6.361 1.00 0.00 O ATOM 295 ND2 ASN A 24 0.358 4.749 5.574 1.00 0.00 N ATOM 0 H ASN A 24 -3.941 3.498 3.415 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.255 4.334 2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.558 5.723 4.261 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.817 4.732 4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.047 4.464 6.269 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.591 5.470 4.891 1.00 0.00 H new ATOM 302 N CYS A 25 -0.205 2.147 2.797 1.00 0.00 N ATOM 303 CA CYS A 25 0.512 0.899 2.994 1.00 0.00 C ATOM 304 C CYS A 25 1.927 1.197 3.487 1.00 0.00 C ATOM 305 O CYS A 25 2.710 1.826 2.774 1.00 0.00 O ATOM 306 CB CYS A 25 0.573 0.135 1.660 1.00 0.00 C ATOM 307 SG CYS A 25 1.820 -1.187 1.608 1.00 0.00 S ATOM 0 H CYS A 25 0.220 2.765 2.106 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.004 0.290 3.737 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.407 -0.298 1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.779 0.844 0.858 1.00 0.00 H new ATOM 312 N TYR A 26 2.250 0.777 4.705 1.00 0.00 N ATOM 313 CA TYR A 26 3.598 0.975 5.227 1.00 0.00 C ATOM 314 C TYR A 26 4.476 -0.200 4.842 1.00 0.00 C ATOM 315 O TYR A 26 4.083 -1.355 5.008 1.00 0.00 O ATOM 316 CB TYR A 26 3.629 1.089 6.758 1.00 0.00 C ATOM 317 CG TYR A 26 2.826 2.217 7.370 1.00 0.00 C ATOM 318 CD1 TYR A 26 1.596 1.976 7.966 1.00 0.00 C ATOM 319 CD2 TYR A 26 3.319 3.515 7.388 1.00 0.00 C ATOM 320 CE1 TYR A 26 0.878 2.995 8.561 1.00 0.00 C ATOM 321 CE2 TYR A 26 2.605 4.543 7.977 1.00 0.00 C ATOM 322 CZ TYR A 26 1.384 4.277 8.563 1.00 0.00 C ATOM 323 OH TYR A 26 0.672 5.293 9.156 1.00 0.00 O ATOM 0 H TYR A 26 1.608 0.304 5.342 1.00 0.00 H new ATOM 0 HA TYR A 26 3.961 1.909 4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.270 0.149 7.177 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.667 1.201 7.070 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.193 0.974 7.965 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.276 3.726 6.934 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.076 2.788 9.023 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.001 5.548 7.978 1.00 0.00 H new ATOM 0 HH TYR A 26 1.169 6.133 9.071 1.00 0.00 H new ATOM 333 N VAL A 27 5.664 0.092 4.350 1.00 0.00 N ATOM 334 CA VAL A 27 6.649 -0.940 4.091 1.00 0.00 C ATOM 335 C VAL A 27 7.920 -0.553 4.856 1.00 0.00 C ATOM 336 O VAL A 27 8.658 0.343 4.443 1.00 0.00 O ATOM 337 CB VAL A 27 6.927 -1.069 2.567 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.832 -2.253 2.272 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.623 -1.204 1.789 1.00 0.00 C ATOM 0 H VAL A 27 5.971 1.037 4.121 1.00 0.00 H new ATOM 0 HA VAL A 27 6.287 -1.912 4.425 1.00 0.00 H new ATOM 0 HB VAL A 27 7.435 -0.159 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.008 -2.317 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.783 -2.122 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.355 -3.170 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.842 -1.293 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.089 -2.093 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.004 -0.323 1.960 1.00 0.00 H new ATOM 349 N SER A 28 8.164 -1.222 5.981 1.00 0.00 N ATOM 350 CA SER A 28 9.134 -0.739 6.963 1.00 0.00 C ATOM 351 C SER A 28 10.334 -1.684 7.156 1.00 0.00 C ATOM 352 O SER A 28 10.174 -2.902 7.208 1.00 0.00 O ATOM 353 CB SER A 28 8.387 -0.520 8.286 1.00 0.00 C ATOM 354 OG SER A 28 7.611 -1.660 8.620 1.00 0.00 O ATOM 0 H SER A 28 7.706 -2.097 6.235 1.00 0.00 H new ATOM 0 HA SER A 28 9.565 0.193 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.102 -0.315 9.083 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.741 0.354 8.204 1.00 0.00 H new ATOM 0 HG SER A 28 7.144 -1.501 9.467 1.00 0.00 H new ATOM 360 N GLY A 29 11.535 -1.099 7.282 1.00 0.00 N ATOM 361 CA GLY A 29 12.760 -1.883 7.454 1.00 0.00 C ATOM 362 C GLY A 29 13.417 -2.216 6.133 1.00 0.00 C ATOM 363 O GLY A 29 14.406 -2.947 6.081 1.00 0.00 O ATOM 0 H GLY A 29 11.680 -0.089 7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.461 -1.326 8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.527 -2.806 7.984 1.00 0.00 H new ATOM 367 N PHE A 30 12.855 -1.687 5.062 1.00 0.00 N ATOM 368 CA PHE A 30 13.361 -1.960 3.728 1.00 0.00 C ATOM 369 C PHE A 30 13.902 -0.702 3.059 1.00 0.00 C ATOM 370 O PHE A 30 13.488 0.410 3.378 1.00 0.00 O ATOM 371 CB PHE A 30 12.255 -2.542 2.866 1.00 0.00 C ATOM 372 CG PHE A 30 11.490 -3.670 3.526 1.00 0.00 C ATOM 373 CD1 PHE A 30 10.246 -3.443 4.101 1.00 0.00 C ATOM 374 CD2 PHE A 30 12.006 -4.961 3.557 1.00 0.00 C ATOM 375 CE1 PHE A 30 9.527 -4.478 4.679 1.00 0.00 C ATOM 376 CE2 PHE A 30 11.292 -5.997 4.142 1.00 0.00 C ATOM 377 CZ PHE A 30 10.050 -5.751 4.697 1.00 0.00 C ATOM 0 H PHE A 30 12.047 -1.065 5.089 1.00 0.00 H new ATOM 0 HA PHE A 30 14.179 -2.674 3.828 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.556 -1.747 2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.688 -2.906 1.934 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.833 -2.445 4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.974 -5.160 3.121 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.558 -4.286 5.115 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.706 -6.994 4.164 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.490 -6.558 5.145 1.00 0.00 H new ATOM 387 N HIS A 31 14.825 -0.895 2.128 1.00 0.00 N ATOM 388 CA HIS A 31 15.374 0.208 1.350 1.00 0.00 C ATOM 389 C HIS A 31 14.662 0.308 0.004 1.00 0.00 C ATOM 390 O HIS A 31 14.527 -0.686 -0.703 1.00 0.00 O ATOM 391 CB HIS A 31 16.879 0.032 1.158 1.00 0.00 C ATOM 392 CG HIS A 31 17.648 0.077 2.443 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.828 -0.607 2.602 1.00 0.00 N ATOM 394 CD2 HIS A 31 17.361 0.735 3.591 1.00 0.00 C ATOM 395 CE1 HIS A 31 19.228 -0.353 3.837 1.00 0.00 C ATOM 396 NE2 HIS A 31 18.370 0.456 4.475 1.00 0.00 N ATOM 0 H HIS A 31 15.211 -1.809 1.892 1.00 0.00 H new ATOM 0 HA HIS A 31 15.210 1.137 1.896 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.066 -0.921 0.663 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.248 0.814 0.494 1.00 0.00 H new ATOM 0 HD2 HIS A 31 16.500 1.361 3.775 1.00 0.00 H new ATOM 0 HE1 HIS A 31 20.132 -0.748 4.276 1.00 0.00 H new ATOM 0 HE2 HIS A 31 18.452 0.797 5.433 1.00 0.00 H new ATOM 404 N PRO A 32 14.233 1.525 -0.373 1.00 0.00 N ATOM 405 CA PRO A 32 13.318 1.756 -1.510 1.00 0.00 C ATOM 406 C PRO A 32 13.883 1.395 -2.885 1.00 0.00 C ATOM 407 O PRO A 32 13.158 1.419 -3.877 1.00 0.00 O ATOM 408 CB PRO A 32 13.044 3.270 -1.459 1.00 0.00 C ATOM 409 CG PRO A 32 13.503 3.718 -0.113 1.00 0.00 C ATOM 410 CD PRO A 32 14.608 2.783 0.287 1.00 0.00 C ATOM 0 HA PRO A 32 12.441 1.117 -1.406 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.582 3.792 -2.250 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.984 3.481 -1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.858 4.748 -0.146 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.686 3.685 0.608 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.581 3.141 -0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.668 2.669 1.369 1.00 0.00 H new ATOM 418 N SER A 33 15.156 1.060 -2.955 1.00 0.00 N ATOM 419 CA SER A 33 15.791 0.836 -4.242 1.00 0.00 C ATOM 420 C SER A 33 15.469 -0.555 -4.813 1.00 0.00 C ATOM 421 O SER A 33 15.102 -0.673 -5.983 1.00 0.00 O ATOM 422 CB SER A 33 17.307 1.059 -4.129 1.00 0.00 C ATOM 423 OG SER A 33 17.978 0.704 -5.324 1.00 0.00 O ATOM 0 H SER A 33 15.767 0.938 -2.147 1.00 0.00 H new ATOM 0 HA SER A 33 15.384 1.561 -4.947 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.505 2.106 -3.897 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.701 0.469 -3.301 1.00 0.00 H new ATOM 0 HG SER A 33 18.940 0.860 -5.218 1.00 0.00 H new ATOM 429 N ASP A 34 15.584 -1.603 -4.000 1.00 0.00 N ATOM 430 CA ASP A 34 15.474 -2.973 -4.518 1.00 0.00 C ATOM 431 C ASP A 34 14.135 -3.639 -4.195 1.00 0.00 C ATOM 432 O ASP A 34 14.084 -4.860 -4.050 1.00 0.00 O ATOM 433 CB ASP A 34 16.588 -3.856 -3.941 1.00 0.00 C ATOM 434 CG ASP A 34 17.962 -3.224 -4.029 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.740 -3.592 -4.932 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.280 -2.364 -3.181 1.00 0.00 O ATOM 0 H ASP A 34 15.751 -1.537 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 34 15.559 -2.883 -5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.363 -4.076 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.599 -4.808 -4.472 1.00 0.00 H new ATOM 441 N ILE A 35 13.048 -2.881 -4.072 1.00 0.00 N ATOM 442 CA ILE A 35 11.773 -3.508 -3.718 1.00 0.00 C ATOM 443 C ILE A 35 10.638 -3.107 -4.654 1.00 0.00 C ATOM 444 O ILE A 35 10.769 -2.166 -5.439 1.00 0.00 O ATOM 445 CB ILE A 35 11.367 -3.220 -2.244 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.323 -2.100 -2.130 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.589 -2.889 -1.387 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.827 -1.932 -0.711 1.00 0.00 C ATOM 0 H ILE A 35 13.019 -1.870 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 35 11.938 -4.580 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 35 10.910 -4.135 -1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.758 -1.162 -2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.480 -2.321 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.273 -2.693 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.280 -3.732 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.087 -2.006 -1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.090 -1.129 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.368 -2.861 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.665 -1.684 -0.060 1.00 0.00 H new ATOM 460 N GLU A 36 9.539 -3.860 -4.576 1.00 0.00 N ATOM 461 CA GLU A 36 8.331 -3.571 -5.334 1.00 0.00 C ATOM 462 C GLU A 36 7.102 -3.653 -4.436 1.00 0.00 C ATOM 463 O GLU A 36 6.892 -4.646 -3.740 1.00 0.00 O ATOM 464 CB GLU A 36 8.179 -4.534 -6.496 1.00 0.00 C ATOM 465 CG GLU A 36 8.853 -4.026 -7.767 1.00 0.00 C ATOM 466 CD GLU A 36 8.188 -2.781 -8.322 1.00 0.00 C ATOM 467 OE1 GLU A 36 7.138 -2.912 -8.984 1.00 0.00 O ATOM 468 OE2 GLU A 36 8.722 -1.669 -8.115 1.00 0.00 O ATOM 0 H GLU A 36 9.467 -4.687 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 36 8.418 -2.558 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.606 -5.499 -6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.119 -4.699 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.901 -3.811 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.834 -4.811 -8.523 1.00 0.00 H new ATOM 475 N VAL A 37 6.313 -2.597 -4.454 1.00 0.00 N ATOM 476 CA VAL A 37 5.095 -2.509 -3.642 1.00 0.00 C ATOM 477 C VAL A 37 3.949 -1.898 -4.457 1.00 0.00 C ATOM 478 O VAL A 37 4.132 -0.886 -5.133 1.00 0.00 O ATOM 479 CB VAL A 37 5.334 -1.706 -2.319 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.587 -0.851 -2.430 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.134 -0.839 -1.959 1.00 0.00 C ATOM 0 H VAL A 37 6.489 -1.772 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 37 4.814 -3.523 -3.356 1.00 0.00 H new ATOM 0 HB VAL A 37 5.471 -2.433 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.736 -0.301 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.449 -1.492 -2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.475 -0.147 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.340 -0.298 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.946 -0.127 -2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.257 -1.471 -1.822 1.00 0.00 H new ATOM 491 N ASP A 38 2.767 -2.515 -4.389 1.00 0.00 N ATOM 492 CA ASP A 38 1.599 -2.018 -5.117 1.00 0.00 C ATOM 493 C ASP A 38 0.371 -2.046 -4.206 1.00 0.00 C ATOM 494 O ASP A 38 0.351 -2.756 -3.198 1.00 0.00 O ATOM 495 CB ASP A 38 1.307 -2.863 -6.380 1.00 0.00 C ATOM 496 CG ASP A 38 2.385 -2.769 -7.440 1.00 0.00 C ATOM 497 OD1 ASP A 38 3.244 -3.675 -7.496 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.357 -1.816 -8.245 1.00 0.00 O ATOM 0 H ASP A 38 2.594 -3.357 -3.839 1.00 0.00 H new ATOM 0 HA ASP A 38 1.818 -0.997 -5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.187 -3.906 -6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.358 -2.541 -6.810 1.00 0.00 H new ATOM 503 N LEU A 39 -0.659 -1.297 -4.583 1.00 0.00 N ATOM 504 CA LEU A 39 -1.913 -1.272 -3.835 1.00 0.00 C ATOM 505 C LEU A 39 -2.982 -2.030 -4.628 1.00 0.00 C ATOM 506 O LEU A 39 -3.192 -1.754 -5.811 1.00 0.00 O ATOM 507 CB LEU A 39 -2.353 0.172 -3.541 1.00 0.00 C ATOM 508 CG LEU A 39 -1.770 0.800 -2.254 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.265 1.003 -2.345 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.447 2.124 -1.944 1.00 0.00 C ATOM 0 H LEU A 39 -0.651 -0.695 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.769 -1.762 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.072 0.798 -4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.441 0.195 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.966 0.096 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.099 1.446 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.223 0.041 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.037 1.667 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.020 2.547 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.292 2.815 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.515 1.962 -1.802 1.00 0.00 H new ATOM 522 N LEU A 40 -3.628 -3.007 -3.988 1.00 0.00 N ATOM 523 CA LEU A 40 -4.510 -3.946 -4.685 1.00 0.00 C ATOM 524 C LEU A 40 -5.944 -3.928 -4.159 1.00 0.00 C ATOM 525 O LEU A 40 -6.247 -3.339 -3.119 1.00 0.00 O ATOM 526 CB LEU A 40 -4.005 -5.383 -4.527 1.00 0.00 C ATOM 527 CG LEU A 40 -2.554 -5.671 -4.929 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.390 -7.166 -5.140 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.139 -4.925 -6.190 1.00 0.00 C ATOM 0 H LEU A 40 -3.556 -3.169 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.502 -3.624 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.128 -5.670 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.652 -6.034 -5.115 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.908 -5.321 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.361 -7.382 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.627 -7.692 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.064 -7.498 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.103 -5.164 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.782 -5.224 -7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.235 -3.852 -6.026 1.00 0.00 H new ATOM 541 N LYS A 41 -6.810 -4.614 -4.904 1.00 0.00 N ATOM 542 CA LYS A 41 -8.158 -4.960 -4.479 1.00 0.00 C ATOM 543 C LYS A 41 -8.301 -6.454 -4.627 1.00 0.00 C ATOM 544 O LYS A 41 -8.397 -6.924 -5.754 1.00 0.00 O ATOM 545 CB LYS A 41 -9.232 -4.321 -5.381 1.00 0.00 C ATOM 546 CG LYS A 41 -8.803 -3.002 -6.020 1.00 0.00 C ATOM 547 CD LYS A 41 -9.841 -2.413 -7.007 1.00 0.00 C ATOM 548 CE LYS A 41 -11.220 -2.143 -6.370 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.129 -1.255 -5.180 1.00 0.00 N ATOM 0 H LYS A 41 -6.585 -4.950 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.299 -4.606 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.496 -5.026 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.133 -4.151 -4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.612 -2.274 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.861 -3.155 -6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.451 -1.481 -7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.965 -3.101 -7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.877 -1.687 -7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.675 -3.090 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.085 -1.048 -4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.580 -1.729 -4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.658 -0.367 -5.445 1.00 0.00 H new ATOM 563 N ASN A 42 -8.339 -7.194 -3.516 1.00 0.00 N ATOM 564 CA ASN A 42 -8.433 -8.663 -3.561 1.00 0.00 C ATOM 565 C ASN A 42 -7.570 -9.244 -4.676 1.00 0.00 C ATOM 566 O ASN A 42 -8.028 -10.045 -5.492 1.00 0.00 O ATOM 567 CB ASN A 42 -9.908 -9.132 -3.671 1.00 0.00 C ATOM 568 CG ASN A 42 -10.751 -8.297 -4.624 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.003 -8.677 -5.765 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.173 -7.129 -4.152 1.00 0.00 N ATOM 0 H ASN A 42 -8.306 -6.805 -2.574 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.041 -9.047 -2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.925 -10.171 -4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.362 -9.105 -2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.728 -6.511 -4.743 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.942 -6.851 -3.198 1.00 0.00 H new ATOM 577 N GLY A 43 -6.307 -8.828 -4.688 1.00 0.00 N ATOM 578 CA GLY A 43 -5.379 -9.307 -5.692 1.00 0.00 C ATOM 579 C GLY A 43 -5.523 -8.647 -7.055 1.00 0.00 C ATOM 580 O GLY A 43 -5.163 -9.251 -8.065 1.00 0.00 O ATOM 0 H GLY A 43 -5.911 -8.167 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.362 -9.149 -5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.513 -10.383 -5.808 1.00 0.00 H new ATOM 584 N GLU A 44 -6.035 -7.421 -7.105 1.00 0.00 N ATOM 585 CA GLU A 44 -6.199 -6.727 -8.381 1.00 0.00 C ATOM 586 C GLU A 44 -5.567 -5.334 -8.307 1.00 0.00 C ATOM 587 O GLU A 44 -5.949 -4.515 -7.471 1.00 0.00 O ATOM 588 CB GLU A 44 -7.685 -6.631 -8.762 1.00 0.00 C ATOM 589 CG GLU A 44 -7.922 -6.186 -10.201 1.00 0.00 C ATOM 590 CD GLU A 44 -7.317 -7.148 -11.204 1.00 0.00 C ATOM 591 OE1 GLU A 44 -6.081 -7.144 -11.368 1.00 0.00 O ATOM 592 OE2 GLU A 44 -8.079 -7.913 -11.834 1.00 0.00 O ATOM 0 H GLU A 44 -6.341 -6.892 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.690 -7.300 -9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.153 -7.603 -8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.179 -5.931 -8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.994 -6.102 -10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.495 -5.194 -10.348 1.00 0.00 H new ATOM 599 N ARG A 45 -4.575 -5.099 -9.161 1.00 0.00 N ATOM 600 CA ARG A 45 -3.837 -3.832 -9.203 1.00 0.00 C ATOM 601 C ARG A 45 -4.788 -2.644 -9.411 1.00 0.00 C ATOM 602 O ARG A 45 -5.457 -2.537 -10.438 1.00 0.00 O ATOM 603 CB ARG A 45 -2.791 -3.898 -10.343 1.00 0.00 C ATOM 604 CG ARG A 45 -1.480 -3.171 -10.055 1.00 0.00 C ATOM 605 CD ARG A 45 -0.475 -3.271 -11.216 1.00 0.00 C ATOM 606 NE ARG A 45 -0.896 -2.549 -12.414 1.00 0.00 N ATOM 607 CZ ARG A 45 -0.397 -2.779 -13.631 1.00 0.00 C ATOM 608 NH1 ARG A 45 0.524 -3.719 -13.812 1.00 0.00 N ATOM 609 NH2 ARG A 45 -0.818 -2.067 -14.668 1.00 0.00 N ATOM 0 H ARG A 45 -4.256 -5.782 -9.848 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.331 -3.682 -8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.571 -4.944 -10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.232 -3.477 -11.246 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.689 -2.121 -9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.030 -3.587 -9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.489 -2.882 -10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.326 -4.321 -11.468 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.611 -1.829 -12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.854 -4.269 -13.019 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.902 -3.890 -14.744 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.524 -1.343 -14.536 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.436 -2.244 -15.597 1.00 0.00 H new ATOM 623 N ILE A 46 -4.833 -1.761 -8.403 1.00 0.00 N ATOM 624 CA ILE A 46 -5.709 -0.590 -8.406 1.00 0.00 C ATOM 625 C ILE A 46 -5.358 0.364 -9.537 1.00 0.00 C ATOM 626 O ILE A 46 -6.201 0.612 -10.394 1.00 0.00 O ATOM 627 CB ILE A 46 -5.638 0.148 -7.049 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.076 -0.806 -5.936 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.505 1.409 -7.044 1.00 0.00 C ATOM 630 CD1 ILE A 46 -5.980 -0.233 -4.545 1.00 0.00 C ATOM 0 H ILE A 46 -4.260 -1.843 -7.563 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.728 -0.944 -8.564 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.609 0.465 -6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.107 -1.109 -6.120 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.465 -1.707 -5.987 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.428 1.899 -6.074 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.161 2.090 -7.823 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.544 1.137 -7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.310 -0.978 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.947 0.043 -4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.614 0.651 -4.471 1.00 0.00 H new ATOM 642 N GLU A 47 -4.165 0.981 -9.434 1.00 0.00 N ATOM 643 CA GLU A 47 -3.463 1.653 -10.557 1.00 0.00 C ATOM 644 C GLU A 47 -3.228 3.125 -10.276 1.00 0.00 C ATOM 645 O GLU A 47 -2.219 3.680 -10.711 1.00 0.00 O ATOM 646 CB GLU A 47 -4.183 1.541 -11.904 1.00 0.00 C ATOM 647 CG GLU A 47 -4.185 0.137 -12.495 1.00 0.00 C ATOM 648 CD GLU A 47 -2.937 -0.164 -13.284 1.00 0.00 C ATOM 649 OE1 GLU A 47 -1.830 0.019 -12.747 1.00 0.00 O ATOM 650 OE2 GLU A 47 -3.057 -0.628 -14.435 1.00 0.00 O ATOM 0 H GLU A 47 -3.649 1.030 -8.555 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.516 1.118 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.214 1.873 -11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.711 2.221 -12.613 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.286 -0.591 -11.690 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.055 0.020 -13.141 1.00 0.00 H new ATOM 657 N LYS A 48 -4.142 3.779 -9.560 1.00 0.00 N ATOM 658 CA LYS A 48 -4.017 5.214 -9.302 1.00 0.00 C ATOM 659 C LYS A 48 -3.055 5.460 -8.141 1.00 0.00 C ATOM 660 O LYS A 48 -3.331 6.276 -7.260 1.00 0.00 O ATOM 661 CB LYS A 48 -5.381 5.841 -8.942 1.00 0.00 C ATOM 662 CG LYS A 48 -6.590 5.321 -9.733 1.00 0.00 C ATOM 663 CD LYS A 48 -6.394 5.445 -11.235 1.00 0.00 C ATOM 664 CE LYS A 48 -6.475 6.894 -11.697 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.827 7.468 -11.461 1.00 0.00 N ATOM 0 H LYS A 48 -4.969 3.344 -9.152 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.638 5.676 -10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.567 5.674 -7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.313 6.919 -9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.767 4.276 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.480 5.876 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.425 5.029 -11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.152 4.856 -11.751 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.729 7.488 -11.168 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.234 6.952 -12.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.955 8.311 -12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.551 6.761 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.922 7.733 -10.460 1.00 0.00 H new ATOM 679 N VAL A 49 -1.910 4.799 -8.164 1.00 0.00 N ATOM 680 CA VAL A 49 -0.991 4.862 -7.046 1.00 0.00 C ATOM 681 C VAL A 49 0.290 5.520 -7.520 1.00 0.00 C ATOM 682 O VAL A 49 0.865 5.129 -8.542 1.00 0.00 O ATOM 683 CB VAL A 49 -0.714 3.459 -6.424 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.681 2.940 -6.730 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.928 3.494 -4.925 1.00 0.00 C ATOM 0 H VAL A 49 -1.598 4.216 -8.941 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.442 5.454 -6.249 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.423 2.771 -6.885 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.814 1.961 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.809 2.855 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.422 3.632 -6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.731 2.507 -4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.250 4.220 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.958 3.780 -4.711 1.00 0.00 H new ATOM 695 N GLU A 50 0.715 6.546 -6.815 1.00 0.00 N ATOM 696 CA GLU A 50 1.896 7.278 -7.232 1.00 0.00 C ATOM 697 C GLU A 50 2.733 7.749 -6.062 1.00 0.00 C ATOM 698 O GLU A 50 2.302 8.564 -5.253 1.00 0.00 O ATOM 699 CB GLU A 50 1.522 8.472 -8.116 1.00 0.00 C ATOM 700 CG GLU A 50 1.296 8.108 -9.574 1.00 0.00 C ATOM 701 CD GLU A 50 2.533 7.520 -10.227 1.00 0.00 C ATOM 702 OE1 GLU A 50 3.640 7.647 -9.653 1.00 0.00 O ATOM 703 OE2 GLU A 50 2.409 6.932 -11.319 1.00 0.00 O ATOM 0 H GLU A 50 0.271 6.890 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 50 2.500 6.578 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.617 8.935 -7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.314 9.219 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.478 7.391 -9.643 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.988 8.998 -10.123 1.00 0.00 H new ATOM 710 N HIS A 51 3.920 7.186 -5.973 1.00 0.00 N ATOM 711 CA HIS A 51 4.984 7.721 -5.153 1.00 0.00 C ATOM 712 C HIS A 51 6.269 7.525 -5.918 1.00 0.00 C ATOM 713 O HIS A 51 6.569 6.412 -6.352 1.00 0.00 O ATOM 714 CB HIS A 51 5.062 7.027 -3.784 1.00 0.00 C ATOM 715 CG HIS A 51 6.278 7.404 -2.983 1.00 0.00 C ATOM 716 ND1 HIS A 51 7.186 6.460 -2.568 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.687 8.624 -2.556 1.00 0.00 C ATOM 718 CE1 HIS A 51 8.119 7.122 -1.905 1.00 0.00 C ATOM 719 NE2 HIS A 51 7.860 8.437 -1.872 1.00 0.00 N ATOM 0 H HIS A 51 4.175 6.335 -6.474 1.00 0.00 H new ATOM 0 HA HIS A 51 4.799 8.776 -4.950 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.169 7.274 -3.210 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.057 5.947 -3.933 1.00 0.00 H new ATOM 0 HD1 HIS A 51 7.148 5.455 -2.737 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.184 9.565 -2.723 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.982 6.661 -1.447 1.00 0.00 H new ATOM 727 N SER A 52 7.014 8.586 -6.112 1.00 0.00 N ATOM 728 CA SER A 52 8.212 8.497 -6.912 1.00 0.00 C ATOM 729 C SER A 52 9.413 8.203 -6.041 1.00 0.00 C ATOM 730 O SER A 52 9.680 8.890 -5.053 1.00 0.00 O ATOM 731 CB SER A 52 8.409 9.805 -7.680 1.00 0.00 C ATOM 732 OG SER A 52 8.283 10.925 -6.816 1.00 0.00 O ATOM 0 H SER A 52 6.816 9.512 -5.732 1.00 0.00 H new ATOM 0 HA SER A 52 8.107 7.678 -7.624 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.393 9.811 -8.149 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.674 9.875 -8.482 1.00 0.00 H new ATOM 0 HG SER A 52 8.567 10.674 -5.912 1.00 0.00 H new ATOM 738 N ASP A 53 10.118 7.154 -6.421 1.00 0.00 N ATOM 739 CA ASP A 53 11.234 6.645 -5.653 1.00 0.00 C ATOM 740 C ASP A 53 12.406 7.608 -5.681 1.00 0.00 C ATOM 741 O ASP A 53 12.524 8.459 -6.567 1.00 0.00 O ATOM 742 CB ASP A 53 11.657 5.272 -6.185 1.00 0.00 C ATOM 743 CG ASP A 53 12.095 5.312 -7.638 1.00 0.00 C ATOM 744 OD1 ASP A 53 11.217 5.356 -8.527 1.00 0.00 O ATOM 745 OD2 ASP A 53 13.316 5.291 -7.896 1.00 0.00 O ATOM 0 H ASP A 53 9.930 6.630 -7.276 1.00 0.00 H new ATOM 0 HA ASP A 53 10.913 6.541 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.474 4.887 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.825 4.575 -6.080 1.00 0.00 H new ATOM 750 N LEU A 54 13.258 7.463 -4.688 1.00 0.00 N ATOM 751 CA LEU A 54 14.425 8.328 -4.516 1.00 0.00 C ATOM 752 C LEU A 54 15.629 7.683 -5.184 1.00 0.00 C ATOM 753 O LEU A 54 15.495 6.634 -5.812 1.00 0.00 O ATOM 754 CB LEU A 54 14.712 8.603 -3.012 1.00 0.00 C ATOM 755 CG LEU A 54 14.613 7.355 -2.079 1.00 0.00 C ATOM 756 CD1 LEU A 54 15.404 7.509 -0.776 1.00 0.00 C ATOM 757 CD2 LEU A 54 13.161 7.028 -1.723 1.00 0.00 C ATOM 0 H LEU A 54 13.168 6.743 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 54 14.220 9.290 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 54 15.712 9.027 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.012 9.359 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 54 15.051 6.540 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.293 6.607 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.458 7.664 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 54 15.025 8.366 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 54 13.134 6.154 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 54 12.713 7.877 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 54 12.601 6.820 -2.635 1.00 0.00 H new ATOM 769 N SER A 55 16.800 8.275 -5.033 1.00 0.00 N ATOM 770 CA SER A 55 17.966 7.775 -5.740 1.00 0.00 C ATOM 771 C SER A 55 18.527 6.553 -5.026 1.00 0.00 C ATOM 772 O SER A 55 18.672 5.484 -5.624 1.00 0.00 O ATOM 773 CB SER A 55 19.026 8.871 -5.864 1.00 0.00 C ATOM 774 OG SER A 55 18.494 10.012 -6.522 1.00 0.00 O ATOM 0 H SER A 55 16.968 9.087 -4.439 1.00 0.00 H new ATOM 0 HA SER A 55 17.669 7.478 -6.746 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.385 9.151 -4.873 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.884 8.492 -6.419 1.00 0.00 H new ATOM 0 HG SER A 55 19.186 10.703 -6.590 1.00 0.00 H new ATOM 780 N PHE A 56 18.794 6.702 -3.732 1.00 0.00 N ATOM 781 CA PHE A 56 19.316 5.615 -2.913 1.00 0.00 C ATOM 782 C PHE A 56 18.861 5.804 -1.473 1.00 0.00 C ATOM 783 O PHE A 56 18.451 6.896 -1.085 1.00 0.00 O ATOM 784 CB PHE A 56 20.850 5.566 -2.975 1.00 0.00 C ATOM 785 CG PHE A 56 21.387 5.065 -4.287 1.00 0.00 C ATOM 786 CD1 PHE A 56 21.400 3.710 -4.568 1.00 0.00 C ATOM 787 CD2 PHE A 56 21.877 5.949 -5.238 1.00 0.00 C ATOM 788 CE1 PHE A 56 21.884 3.242 -5.774 1.00 0.00 C ATOM 789 CE2 PHE A 56 22.365 5.487 -6.445 1.00 0.00 C ATOM 790 CZ PHE A 56 22.371 4.132 -6.713 1.00 0.00 C ATOM 0 H PHE A 56 18.655 7.576 -3.224 1.00 0.00 H new ATOM 0 HA PHE A 56 18.931 4.671 -3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 56 21.244 6.565 -2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 56 21.217 4.924 -2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 56 21.027 3.010 -3.835 1.00 0.00 H new ATOM 0 HD2 PHE A 56 21.877 7.009 -5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 56 21.882 2.182 -5.983 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.741 6.185 -7.178 1.00 0.00 H new ATOM 0 HZ PHE A 56 22.755 3.768 -7.655 1.00 0.00 H new ATOM 800 N SER A 57 18.953 4.744 -0.678 1.00 0.00 N ATOM 801 CA SER A 57 18.478 4.764 0.702 1.00 0.00 C ATOM 802 C SER A 57 19.432 5.522 1.620 1.00 0.00 C ATOM 803 O SER A 57 19.307 5.470 2.843 1.00 0.00 O ATOM 804 CB SER A 57 18.285 3.331 1.191 1.00 0.00 C ATOM 805 OG SER A 57 19.300 2.485 0.675 1.00 0.00 O ATOM 0 H SER A 57 19.356 3.853 -0.968 1.00 0.00 H new ATOM 0 HA SER A 57 17.524 5.291 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.304 3.307 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.306 2.964 0.881 1.00 0.00 H new ATOM 0 HG SER A 57 19.474 1.759 1.309 1.00 0.00 H new ATOM 811 N LYS A 58 20.377 6.233 1.017 1.00 0.00 N ATOM 812 CA LYS A 58 21.316 7.064 1.756 1.00 0.00 C ATOM 813 C LYS A 58 20.661 8.390 2.135 1.00 0.00 C ATOM 814 O LYS A 58 21.183 9.147 2.953 1.00 0.00 O ATOM 815 CB LYS A 58 22.566 7.320 0.908 1.00 0.00 C ATOM 816 CG LYS A 58 22.274 8.051 -0.393 1.00 0.00 C ATOM 817 CD LYS A 58 23.515 8.191 -1.256 1.00 0.00 C ATOM 818 CE LYS A 58 23.233 9.009 -2.505 1.00 0.00 C ATOM 819 NZ LYS A 58 22.954 10.434 -2.184 1.00 0.00 N ATOM 0 H LYS A 58 20.513 6.249 0.006 1.00 0.00 H new ATOM 0 HA LYS A 58 21.606 6.543 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 58 23.279 7.903 1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 58 23.044 6.367 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 58 21.506 7.512 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.873 9.040 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.309 8.666 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 58 23.875 7.202 -1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 58 24.088 8.949 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.380 8.582 -3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.307 11.039 -2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 21.929 10.572 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 23.431 10.690 -1.296 1.00 0.00 H new ATOM 833 N ASP A 59 19.506 8.652 1.535 1.00 0.00 N ATOM 834 CA ASP A 59 18.768 9.888 1.773 1.00 0.00 C ATOM 835 C ASP A 59 17.339 9.558 2.190 1.00 0.00 C ATOM 836 O ASP A 59 16.387 10.259 1.841 1.00 0.00 O ATOM 837 CB ASP A 59 18.779 10.776 0.519 1.00 0.00 C ATOM 838 CG ASP A 59 20.171 11.241 0.149 1.00 0.00 C ATOM 839 OD1 ASP A 59 20.723 12.111 0.858 1.00 0.00 O ATOM 840 OD2 ASP A 59 20.721 10.738 -0.851 1.00 0.00 O ATOM 0 H ASP A 59 19.056 8.019 0.874 1.00 0.00 H new ATOM 0 HA ASP A 59 19.252 10.442 2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.350 10.224 -0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.142 11.645 0.687 1.00 0.00 H new ATOM 845 N TRP A 60 17.216 8.475 2.946 1.00 0.00 N ATOM 846 CA TRP A 60 15.927 7.950 3.380 1.00 0.00 C ATOM 847 C TRP A 60 15.943 7.724 4.882 1.00 0.00 C ATOM 848 O TRP A 60 16.302 6.648 5.361 1.00 0.00 O ATOM 849 CB TRP A 60 15.648 6.633 2.641 1.00 0.00 C ATOM 850 CG TRP A 60 14.309 6.025 2.934 1.00 0.00 C ATOM 851 CD1 TRP A 60 13.100 6.415 2.418 1.00 0.00 C ATOM 852 CD2 TRP A 60 14.036 4.905 3.796 1.00 0.00 C ATOM 853 NE1 TRP A 60 12.103 5.625 2.914 1.00 0.00 N ATOM 854 CE2 TRP A 60 12.646 4.696 3.757 1.00 0.00 C ATOM 855 CE3 TRP A 60 14.821 4.057 4.606 1.00 0.00 C ATOM 856 CZ2 TRP A 60 12.024 3.693 4.477 1.00 0.00 C ATOM 857 CZ3 TRP A 60 14.192 3.058 5.324 1.00 0.00 C ATOM 858 CH2 TRP A 60 12.805 2.882 5.257 1.00 0.00 C ATOM 0 H TRP A 60 18.013 7.932 3.278 1.00 0.00 H new ATOM 0 HA TRP A 60 15.138 8.665 3.148 1.00 0.00 H new ATOM 0 HB2 TRP A 60 15.725 6.810 1.568 1.00 0.00 H new ATOM 0 HB3 TRP A 60 16.424 5.914 2.902 1.00 0.00 H new ATOM 0 HD1 TRP A 60 12.957 7.228 1.721 1.00 0.00 H new ATOM 0 HE1 TRP A 60 11.112 5.714 2.691 1.00 0.00 H new ATOM 0 HE3 TRP A 60 15.892 4.186 4.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 10.954 3.553 4.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 14.781 2.402 5.948 1.00 0.00 H new ATOM 0 HH2 TRP A 60 12.342 2.093 5.831 1.00 0.00 H new ATOM 869 N SER A 61 15.595 8.751 5.632 1.00 0.00 N ATOM 870 CA SER A 61 15.441 8.590 7.058 1.00 0.00 C ATOM 871 C SER A 61 13.975 8.327 7.401 1.00 0.00 C ATOM 872 O SER A 61 13.692 7.497 8.260 1.00 0.00 O ATOM 873 CB SER A 61 16.013 9.792 7.836 1.00 0.00 C ATOM 874 OG SER A 61 15.557 11.021 7.293 1.00 0.00 O ATOM 0 H SER A 61 15.416 9.692 5.281 1.00 0.00 H new ATOM 0 HA SER A 61 16.022 7.722 7.371 1.00 0.00 H new ATOM 0 HB2 SER A 61 15.719 9.723 8.883 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.102 9.761 7.808 1.00 0.00 H new ATOM 0 HG SER A 61 15.934 11.766 7.807 1.00 0.00 H new ATOM 880 N PHE A 62 13.043 9.040 6.744 1.00 0.00 N ATOM 881 CA PHE A 62 11.607 8.843 6.956 1.00 0.00 C ATOM 882 C PHE A 62 11.099 7.389 6.851 1.00 0.00 C ATOM 883 O PHE A 62 11.232 6.616 7.803 1.00 0.00 O ATOM 884 CB PHE A 62 10.793 9.795 6.045 1.00 0.00 C ATOM 885 CG PHE A 62 11.027 9.694 4.548 1.00 0.00 C ATOM 886 CD1 PHE A 62 12.303 9.696 4.004 1.00 0.00 C ATOM 887 CD2 PHE A 62 9.947 9.628 3.682 1.00 0.00 C ATOM 888 CE1 PHE A 62 12.498 9.630 2.638 1.00 0.00 C ATOM 889 CE2 PHE A 62 10.135 9.558 2.314 1.00 0.00 C ATOM 890 CZ PHE A 62 11.413 9.559 1.793 1.00 0.00 C ATOM 0 H PHE A 62 13.266 9.761 6.058 1.00 0.00 H new ATOM 0 HA PHE A 62 11.443 9.095 8.004 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.734 9.619 6.234 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.006 10.819 6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 62 13.159 9.750 4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.944 9.631 4.082 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.499 9.634 2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.282 9.503 1.654 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.562 9.504 0.725 1.00 0.00 H new ATOM 900 N TYR A 63 10.523 7.011 5.709 1.00 0.00 N ATOM 901 CA TYR A 63 9.717 5.792 5.632 1.00 0.00 C ATOM 902 C TYR A 63 9.157 5.606 4.222 1.00 0.00 C ATOM 903 O TYR A 63 9.221 6.519 3.400 1.00 0.00 O ATOM 904 CB TYR A 63 8.588 5.833 6.692 1.00 0.00 C ATOM 905 CG TYR A 63 7.468 6.852 6.436 1.00 0.00 C ATOM 906 CD1 TYR A 63 6.148 6.577 6.804 1.00 0.00 C ATOM 907 CD2 TYR A 63 7.726 8.087 5.840 1.00 0.00 C ATOM 908 CE1 TYR A 63 5.130 7.501 6.584 1.00 0.00 C ATOM 909 CE2 TYR A 63 6.715 9.010 5.616 1.00 0.00 C ATOM 910 CZ TYR A 63 5.425 8.712 5.992 1.00 0.00 C ATOM 911 OH TYR A 63 4.420 9.632 5.776 1.00 0.00 O ATOM 0 H TYR A 63 10.598 7.526 4.832 1.00 0.00 H new ATOM 0 HA TYR A 63 10.351 4.932 5.848 1.00 0.00 H new ATOM 0 HB2 TYR A 63 8.142 4.841 6.759 1.00 0.00 H new ATOM 0 HB3 TYR A 63 9.034 6.048 7.663 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.913 5.630 7.268 1.00 0.00 H new ATOM 0 HD2 TYR A 63 8.736 8.330 5.546 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.116 7.271 6.875 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.939 9.958 5.149 1.00 0.00 H new ATOM 0 HH TYR A 63 4.795 10.432 5.352 1.00 0.00 H new ATOM 921 N LEU A 64 8.653 4.411 3.936 1.00 0.00 N ATOM 922 CA LEU A 64 8.078 4.117 2.626 1.00 0.00 C ATOM 923 C LEU A 64 6.565 4.073 2.703 1.00 0.00 C ATOM 924 O LEU A 64 5.986 3.322 3.493 1.00 0.00 O ATOM 925 CB LEU A 64 8.595 2.759 2.140 1.00 0.00 C ATOM 926 CG LEU A 64 9.798 2.806 1.200 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.560 1.484 1.236 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.334 3.110 -0.220 1.00 0.00 C ATOM 0 H LEU A 64 8.630 3.630 4.592 1.00 0.00 H new ATOM 0 HA LEU A 64 8.372 4.904 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.861 2.159 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.781 2.241 1.633 1.00 0.00 H new ATOM 0 HG LEU A 64 10.470 3.597 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.413 1.537 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.912 1.294 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.900 0.675 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.197 3.142 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.648 2.332 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.826 4.074 -0.238 1.00 0.00 H new ATOM 940 N LEU A 65 5.937 4.898 1.879 1.00 0.00 N ATOM 941 CA LEU A 65 4.492 4.926 1.745 1.00 0.00 C ATOM 942 C LEU A 65 4.090 5.349 0.327 1.00 0.00 C ATOM 943 O LEU A 65 4.771 6.152 -0.305 1.00 0.00 O ATOM 944 CB LEU A 65 3.910 5.911 2.762 1.00 0.00 C ATOM 945 CG LEU A 65 2.414 6.201 2.633 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.610 4.924 2.777 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.978 7.226 3.670 1.00 0.00 C ATOM 0 H LEU A 65 6.420 5.570 1.282 1.00 0.00 H new ATOM 0 HA LEU A 65 4.100 3.926 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.100 5.524 3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.451 6.853 2.677 1.00 0.00 H new ATOM 0 HG LEU A 65 2.228 6.614 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.548 5.150 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.902 4.220 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.801 4.482 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.911 7.420 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.179 6.840 4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.532 8.153 3.521 1.00 0.00 H new ATOM 959 N TYR A 66 2.981 4.800 -0.150 1.00 0.00 N ATOM 960 CA TYR A 66 2.422 5.129 -1.460 1.00 0.00 C ATOM 961 C TYR A 66 0.956 5.523 -1.261 1.00 0.00 C ATOM 962 O TYR A 66 0.375 5.173 -0.235 1.00 0.00 O ATOM 963 CB TYR A 66 2.524 3.903 -2.387 1.00 0.00 C ATOM 964 CG TYR A 66 3.958 3.555 -2.782 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.418 3.797 -4.072 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.853 2.999 -1.865 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.719 3.499 -4.441 1.00 0.00 C ATOM 968 CE2 TYR A 66 6.159 2.699 -2.230 1.00 0.00 C ATOM 969 CZ TYR A 66 6.583 2.952 -3.516 1.00 0.00 C ATOM 970 OH TYR A 66 7.878 2.658 -3.880 1.00 0.00 O ATOM 0 H TYR A 66 2.437 4.107 0.364 1.00 0.00 H new ATOM 0 HA TYR A 66 2.971 5.952 -1.917 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.074 3.044 -1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.942 4.091 -3.290 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.747 4.226 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.524 2.799 -0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.055 3.694 -5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.839 2.269 -1.509 1.00 0.00 H new ATOM 0 HH TYR A 66 8.356 2.280 -3.112 1.00 0.00 H new ATOM 980 N TYR A 67 0.345 6.230 -2.210 1.00 0.00 N ATOM 981 CA TYR A 67 -1.046 6.655 -2.024 1.00 0.00 C ATOM 982 C TYR A 67 -1.900 6.445 -3.283 1.00 0.00 C ATOM 983 O TYR A 67 -1.430 6.664 -4.400 1.00 0.00 O ATOM 984 CB TYR A 67 -1.148 8.113 -1.535 1.00 0.00 C ATOM 985 CG TYR A 67 -0.188 9.109 -2.169 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.930 9.550 -1.471 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.408 9.629 -3.440 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.799 10.476 -2.018 1.00 0.00 C ATOM 989 CE2 TYR A 67 0.460 10.553 -3.996 1.00 0.00 C ATOM 990 CZ TYR A 67 1.559 10.974 -3.278 1.00 0.00 C ATOM 991 OH TYR A 67 2.423 11.899 -3.823 1.00 0.00 O ATOM 0 H TYR A 67 0.773 6.515 -3.091 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.451 6.011 -1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.166 8.461 -1.710 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.988 8.124 -0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.124 9.162 -0.482 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.271 9.306 -4.003 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.662 10.807 -1.459 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.277 10.942 -4.987 1.00 0.00 H new ATOM 0 HH TYR A 67 2.113 12.149 -4.718 1.00 0.00 H new ATOM 1001 N THR A 68 -3.153 6.004 -3.086 1.00 0.00 N ATOM 1002 CA THR A 68 -4.121 5.858 -4.182 1.00 0.00 C ATOM 1003 C THR A 68 -5.517 6.285 -3.721 1.00 0.00 C ATOM 1004 O THR A 68 -5.901 6.077 -2.565 1.00 0.00 O ATOM 1005 CB THR A 68 -4.206 4.408 -4.749 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.978 4.395 -5.956 1.00 0.00 O ATOM 1007 CG2 THR A 68 -4.856 3.440 -3.774 1.00 0.00 C ATOM 0 H THR A 68 -3.520 5.741 -2.171 1.00 0.00 H new ATOM 0 HA THR A 68 -3.761 6.504 -4.982 1.00 0.00 H new ATOM 0 HB THR A 68 -3.180 4.089 -4.932 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.893 3.520 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.890 2.445 -4.218 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.275 3.407 -2.853 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.870 3.773 -3.552 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.236 6.927 -4.633 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.657 7.248 -4.467 1.00 0.00 C ATOM 1017 C GLU A 69 -8.483 5.977 -4.242 1.00 0.00 C ATOM 1018 O GLU A 69 -8.259 4.971 -4.924 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.149 7.963 -5.741 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.657 7.917 -5.951 1.00 0.00 C ATOM 1021 CD GLU A 69 -10.058 8.291 -7.362 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -9.463 7.746 -8.317 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -10.985 9.103 -7.525 1.00 0.00 O ATOM 0 H GLU A 69 -5.849 7.245 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.779 7.891 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.832 9.005 -5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.661 7.513 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.021 6.914 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.139 8.596 -5.248 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.426 6.000 -3.291 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.274 4.837 -3.066 1.00 0.00 C ATOM 1032 C PHE A 70 -11.714 5.202 -2.777 1.00 0.00 C ATOM 1033 O PHE A 70 -12.007 6.313 -2.400 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.709 3.989 -1.921 1.00 0.00 C ATOM 1035 CG PHE A 70 -9.861 4.541 -0.514 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -11.091 4.924 -0.006 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -8.756 4.645 0.308 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -11.216 5.399 1.281 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -8.875 5.124 1.605 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.112 5.498 2.089 1.00 0.00 C ATOM 0 H PHE A 70 -9.614 6.795 -2.681 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.273 4.262 -3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.189 3.011 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.647 3.830 -2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -11.969 4.849 -0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.786 4.349 -0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.185 5.694 1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.001 5.204 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.210 5.867 3.099 1.00 0.00 H new ATOM 1050 N THR A 71 -12.612 4.261 -2.979 1.00 0.00 N ATOM 1051 CA THR A 71 -13.971 4.412 -2.494 1.00 0.00 C ATOM 1052 C THR A 71 -14.471 3.093 -1.891 1.00 0.00 C ATOM 1053 O THR A 71 -14.703 2.133 -2.627 1.00 0.00 O ATOM 1054 CB THR A 71 -14.884 4.867 -3.651 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.242 5.937 -4.361 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.225 5.349 -3.134 1.00 0.00 C ATOM 0 H THR A 71 -12.429 3.387 -3.473 1.00 0.00 H new ATOM 0 HA THR A 71 -13.992 5.170 -1.711 1.00 0.00 H new ATOM 0 HB THR A 71 -15.055 4.017 -4.311 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.816 6.231 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.847 5.663 -3.972 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.721 4.540 -2.598 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.073 6.191 -2.459 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.601 2.991 -0.540 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.012 1.742 0.082 1.00 0.00 C ATOM 1066 C PRO A 72 -16.448 1.391 -0.215 1.00 0.00 C ATOM 1067 O PRO A 72 -17.341 2.239 -0.215 1.00 0.00 O ATOM 1068 CB PRO A 72 -14.832 1.944 1.588 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.491 3.387 1.803 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.345 4.056 0.460 1.00 0.00 C ATOM 0 HA PRO A 72 -14.413 0.919 -0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.744 1.680 2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.040 1.300 1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.271 3.877 2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.565 3.476 2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.054 4.876 0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.348 4.478 0.338 1.00 0.00 H new ATOM 1078 N THR A 73 -16.633 0.121 -0.463 1.00 0.00 N ATOM 1079 CA THR A 73 -17.930 -0.462 -0.685 1.00 0.00 C ATOM 1080 C THR A 73 -17.978 -1.727 0.148 1.00 0.00 C ATOM 1081 O THR A 73 -16.928 -2.272 0.494 1.00 0.00 O ATOM 1082 CB THR A 73 -18.142 -0.822 -2.172 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.295 -1.919 -2.523 1.00 0.00 O ATOM 1084 CG2 THR A 73 -17.841 0.360 -3.086 1.00 0.00 C ATOM 0 H THR A 73 -15.869 -0.552 -0.517 1.00 0.00 H new ATOM 0 HA THR A 73 -18.712 0.246 -0.409 1.00 0.00 H new ATOM 0 HB THR A 73 -19.189 -1.094 -2.305 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.964 -1.797 -3.438 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.002 0.068 -4.124 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.502 1.190 -2.837 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.804 0.669 -2.952 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.164 -2.182 0.502 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.296 -3.436 1.236 1.00 0.00 C ATOM 1094 C GLU A 74 -18.939 -4.656 0.363 1.00 0.00 C ATOM 1095 O GLU A 74 -19.102 -5.800 0.791 1.00 0.00 O ATOM 1096 CB GLU A 74 -20.690 -3.567 1.880 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.856 -3.217 0.974 1.00 0.00 C ATOM 1098 CD GLU A 74 -23.190 -3.361 1.674 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -23.778 -2.327 2.059 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -23.656 -4.504 1.849 1.00 0.00 O ATOM 0 H GLU A 74 -20.046 -1.711 0.298 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.569 -3.415 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -20.817 -4.592 2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -20.728 -2.924 2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.743 -2.193 0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.837 -3.862 0.096 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.476 -4.416 -0.872 1.00 0.00 N ATOM 1108 CA LYS A 75 -18.086 -5.498 -1.768 1.00 0.00 C ATOM 1109 C LYS A 75 -16.573 -5.514 -2.044 1.00 0.00 C ATOM 1110 O LYS A 75 -16.003 -6.581 -2.274 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.838 -5.392 -3.104 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.364 -5.310 -3.005 1.00 0.00 C ATOM 1113 CD LYS A 75 -21.038 -6.677 -2.919 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.997 -7.282 -1.522 1.00 0.00 C ATOM 1115 NZ LYS A 75 -21.786 -8.539 -1.448 1.00 0.00 N ATOM 0 H LYS A 75 -18.365 -3.482 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.349 -6.428 -1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.479 -4.509 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.578 -6.256 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.633 -4.724 -2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.749 -4.777 -3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -22.077 -6.583 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.552 -7.359 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.963 -7.484 -1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -21.388 -6.563 -0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.736 -8.924 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -22.778 -8.341 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -21.397 -9.233 -2.118 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.924 -4.348 -2.054 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.528 -4.272 -2.479 1.00 0.00 C ATOM 1131 C ASP A 76 -13.546 -4.214 -1.291 1.00 0.00 C ATOM 1132 O ASP A 76 -13.712 -3.431 -0.357 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.303 -3.058 -3.390 1.00 0.00 C ATOM 1134 CG ASP A 76 -15.144 -3.087 -4.650 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -16.041 -2.228 -4.791 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -14.889 -3.946 -5.516 1.00 0.00 O ATOM 0 H ASP A 76 -16.336 -3.457 -1.777 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.325 -5.190 -3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.528 -2.148 -2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.250 -3.011 -3.666 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.511 -5.044 -1.381 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.438 -5.163 -0.379 1.00 0.00 C ATOM 1143 C GLU A 77 -10.201 -4.386 -0.852 1.00 0.00 C ATOM 1144 O GLU A 77 -10.020 -4.192 -2.057 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.075 -6.645 -0.251 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.953 -6.969 0.728 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.493 -8.399 0.570 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.546 -8.634 -0.210 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -10.091 -9.298 1.192 1.00 0.00 O ATOM 0 H GLU A 77 -12.385 -5.674 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.770 -4.760 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.967 -7.193 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.792 -7.017 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.114 -6.293 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.298 -6.805 1.749 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.359 -3.945 0.078 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.104 -3.273 -0.279 1.00 0.00 C ATOM 1158 C TYR A 78 -6.899 -3.963 0.366 1.00 0.00 C ATOM 1159 O TYR A 78 -6.920 -4.270 1.558 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.157 -1.789 0.122 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.166 -0.980 -0.669 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.524 -1.088 -0.404 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -8.762 -0.119 -1.683 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.453 -0.363 -1.130 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.685 0.609 -2.407 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.026 0.480 -2.129 1.00 0.00 C ATOM 1167 OH TYR A 78 -11.945 1.194 -2.860 1.00 0.00 O ATOM 0 H TYR A 78 -9.518 -4.038 1.081 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.984 -3.339 -1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.398 -1.717 1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.168 -1.350 -0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.861 -1.748 0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.710 -0.018 -1.908 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.507 -0.459 -0.913 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.355 1.277 -3.189 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.826 1.125 -2.436 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.858 -4.210 -0.438 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.657 -4.915 0.018 1.00 0.00 C ATOM 1179 C ALA A 79 -3.386 -4.231 -0.501 1.00 0.00 C ATOM 1180 O ALA A 79 -3.454 -3.429 -1.425 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.704 -6.357 -0.461 1.00 0.00 C ATOM 0 H ALA A 79 -5.825 -3.928 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.632 -4.891 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.811 -6.882 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.589 -6.847 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.746 -6.377 -1.550 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.234 -4.524 0.105 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.960 -4.020 -0.410 1.00 0.00 C ATOM 1189 C CYS A 80 0.040 -5.167 -0.603 1.00 0.00 C ATOM 1190 O CYS A 80 0.218 -5.999 0.287 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.389 -2.949 0.522 1.00 0.00 C ATOM 1192 SG CYS A 80 1.254 -2.336 0.036 1.00 0.00 S ATOM 0 H CYS A 80 -2.157 -5.101 0.943 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.140 -3.563 -1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.082 -2.108 0.559 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.329 -3.356 1.531 1.00 0.00 H new ATOM 1197 N ARG A 81 0.655 -5.222 -1.789 1.00 0.00 N ATOM 1198 CA ARG A 81 1.574 -6.305 -2.169 1.00 0.00 C ATOM 1199 C ARG A 81 3.024 -5.811 -2.170 1.00 0.00 C ATOM 1200 O ARG A 81 3.324 -4.802 -2.804 1.00 0.00 O ATOM 1201 CB ARG A 81 1.206 -6.786 -3.580 1.00 0.00 C ATOM 1202 CG ARG A 81 1.701 -8.188 -3.950 1.00 0.00 C ATOM 1203 CD ARG A 81 0.970 -8.730 -5.190 1.00 0.00 C ATOM 1204 NE ARG A 81 1.230 -7.907 -6.376 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.644 -8.091 -7.562 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -0.262 -9.048 -7.720 1.00 0.00 N ATOM 1207 NH2 ARG A 81 0.968 -7.319 -8.594 1.00 0.00 N ATOM 0 H ARG A 81 0.531 -4.517 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 81 1.485 -7.118 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.121 -6.765 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.607 -6.076 -4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.774 -8.158 -4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.546 -8.864 -3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.289 -9.755 -5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.102 -8.760 -4.996 1.00 0.00 H new ATOM 0 HE ARG A 81 1.902 -7.145 -6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.514 -9.647 -6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.707 -9.184 -8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.666 -6.584 -8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.519 -7.462 -9.499 1.00 0.00 H new ATOM 1221 N VAL A 82 3.923 -6.511 -1.475 1.00 0.00 N ATOM 1222 CA VAL A 82 5.340 -6.136 -1.502 1.00 0.00 C ATOM 1223 C VAL A 82 6.238 -7.339 -1.786 1.00 0.00 C ATOM 1224 O VAL A 82 6.004 -8.443 -1.287 1.00 0.00 O ATOM 1225 CB VAL A 82 5.807 -5.437 -0.193 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.096 -6.449 0.912 1.00 0.00 C ATOM 1227 CG2 VAL A 82 7.029 -4.565 -0.468 1.00 0.00 C ATOM 0 H VAL A 82 3.704 -7.323 -0.898 1.00 0.00 H new ATOM 0 HA VAL A 82 5.435 -5.418 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 82 4.995 -4.800 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.420 -5.924 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.192 -7.018 1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.883 -7.129 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.346 -4.081 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.840 -5.185 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.775 -3.805 -1.207 1.00 0.00 H new ATOM 1237 N ASN A 83 7.248 -7.104 -2.613 1.00 0.00 N ATOM 1238 CA ASN A 83 8.210 -8.136 -2.977 1.00 0.00 C ATOM 1239 C ASN A 83 9.623 -7.594 -2.947 1.00 0.00 C ATOM 1240 O ASN A 83 9.897 -6.498 -3.443 1.00 0.00 O ATOM 1241 CB ASN A 83 7.898 -8.690 -4.370 1.00 0.00 C ATOM 1242 CG ASN A 83 8.745 -9.901 -4.718 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.122 -10.684 -3.846 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.051 -10.061 -5.998 1.00 0.00 N ATOM 0 H ASN A 83 7.423 -6.198 -3.048 1.00 0.00 H new ATOM 0 HA ASN A 83 8.131 -8.941 -2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.844 -8.961 -4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.063 -7.910 -5.113 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.619 -10.856 -6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.719 -9.389 -6.690 1.00 0.00 H new ATOM 1251 N HIS A 84 10.511 -8.368 -2.347 1.00 0.00 N ATOM 1252 CA HIS A 84 11.897 -8.029 -2.257 1.00 0.00 C ATOM 1253 C HIS A 84 12.711 -9.223 -2.744 1.00 0.00 C ATOM 1254 O HIS A 84 12.185 -10.338 -2.799 1.00 0.00 O ATOM 1255 CB HIS A 84 12.272 -7.712 -0.811 1.00 0.00 C ATOM 1256 CG HIS A 84 11.303 -6.859 -0.053 1.00 0.00 C ATOM 1257 ND1 HIS A 84 10.027 -7.279 0.222 1.00 0.00 N ATOM 1258 CD2 HIS A 84 11.480 -5.623 0.461 1.00 0.00 C ATOM 1259 CE1 HIS A 84 9.459 -6.294 0.885 1.00 0.00 C ATOM 1260 NE2 HIS A 84 10.298 -5.267 1.052 1.00 0.00 N ATOM 0 H HIS A 84 10.274 -9.257 -1.907 1.00 0.00 H new ATOM 0 HA HIS A 84 12.103 -7.150 -2.868 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.395 -8.653 -0.274 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.242 -7.215 -0.809 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.381 -5.029 0.415 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.442 -6.313 1.249 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.096 -4.388 1.528 1.00 0.00 H new ATOM 1268 N VAL A 85 13.978 -9.008 -3.078 1.00 0.00 N ATOM 1269 CA VAL A 85 14.840 -10.102 -3.558 1.00 0.00 C ATOM 1270 C VAL A 85 14.888 -11.292 -2.596 1.00 0.00 C ATOM 1271 O VAL A 85 15.111 -12.434 -3.013 1.00 0.00 O ATOM 1272 CB VAL A 85 16.273 -9.616 -3.923 1.00 0.00 C ATOM 1273 CG1 VAL A 85 16.698 -8.369 -3.159 1.00 0.00 C ATOM 1274 CG2 VAL A 85 17.315 -10.722 -3.785 1.00 0.00 C ATOM 0 H VAL A 85 14.436 -8.098 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 85 14.372 -10.456 -4.476 1.00 0.00 H new ATOM 0 HB VAL A 85 16.220 -9.338 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.706 -8.084 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.009 -7.554 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.684 -8.576 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 85 18.297 -10.332 -4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.333 -11.079 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.060 -11.547 -4.450 1.00 0.00 H new ATOM 1284 N THR A 86 14.603 -11.051 -1.332 1.00 0.00 N ATOM 1285 CA THR A 86 14.747 -12.089 -0.338 1.00 0.00 C ATOM 1286 C THR A 86 13.524 -13.008 -0.330 1.00 0.00 C ATOM 1287 O THR A 86 13.649 -14.220 -0.521 1.00 0.00 O ATOM 1288 CB THR A 86 14.967 -11.488 1.075 1.00 0.00 C ATOM 1289 OG1 THR A 86 14.276 -12.258 2.069 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.486 -10.039 1.106 1.00 0.00 C ATOM 0 H THR A 86 14.274 -10.154 -0.974 1.00 0.00 H new ATOM 0 HA THR A 86 15.627 -12.676 -0.603 1.00 0.00 H new ATOM 0 HB THR A 86 16.033 -11.516 1.300 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.429 -11.864 2.953 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.644 -9.624 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.046 -9.454 0.376 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.424 -10.003 0.862 1.00 0.00 H new ATOM 1298 N LEU A 87 12.350 -12.415 -0.099 1.00 0.00 N ATOM 1299 CA LEU A 87 11.092 -13.158 -0.012 1.00 0.00 C ATOM 1300 C LEU A 87 10.891 -14.102 -1.190 1.00 0.00 C ATOM 1301 O LEU A 87 10.485 -15.249 -1.002 1.00 0.00 O ATOM 1302 CB LEU A 87 9.903 -12.198 0.047 1.00 0.00 C ATOM 1303 CG LEU A 87 10.015 -11.071 1.066 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.875 -10.097 0.893 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.044 -11.617 2.484 1.00 0.00 C ATOM 0 H LEU A 87 12.246 -11.409 0.033 1.00 0.00 H new ATOM 0 HA LEU A 87 11.149 -13.751 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.765 -11.758 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.004 -12.774 0.267 1.00 0.00 H new ATOM 0 HG LEU A 87 10.954 -10.545 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.966 -9.296 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.907 -9.674 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.928 -10.616 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.124 -10.791 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.127 -12.173 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.902 -12.279 2.601 1.00 0.00 H new ATOM 1317 N SER A 88 11.148 -13.592 -2.399 1.00 0.00 N ATOM 1318 CA SER A 88 10.947 -14.334 -3.652 1.00 0.00 C ATOM 1319 C SER A 88 9.455 -14.451 -3.977 1.00 0.00 C ATOM 1320 O SER A 88 9.062 -14.492 -5.143 1.00 0.00 O ATOM 1321 CB SER A 88 11.600 -15.724 -3.589 1.00 0.00 C ATOM 1322 OG SER A 88 11.633 -16.344 -4.868 1.00 0.00 O ATOM 0 H SER A 88 11.504 -12.646 -2.539 1.00 0.00 H new ATOM 0 HA SER A 88 11.432 -13.775 -4.452 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.615 -15.633 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.048 -16.355 -2.892 1.00 0.00 H new ATOM 0 HG SER A 88 12.055 -17.225 -4.794 1.00 0.00 H new ATOM 1328 N GLN A 89 8.636 -14.492 -2.936 1.00 0.00 N ATOM 1329 CA GLN A 89 7.188 -14.519 -3.086 1.00 0.00 C ATOM 1330 C GLN A 89 6.573 -13.349 -2.305 1.00 0.00 C ATOM 1331 O GLN A 89 6.699 -13.291 -1.077 1.00 0.00 O ATOM 1332 CB GLN A 89 6.589 -15.864 -2.616 1.00 0.00 C ATOM 1333 CG GLN A 89 6.909 -16.258 -1.167 1.00 0.00 C ATOM 1334 CD GLN A 89 6.092 -17.434 -0.680 1.00 0.00 C ATOM 1335 OE1 GLN A 89 5.698 -18.306 -1.456 1.00 0.00 O ATOM 1336 NE2 GLN A 89 5.834 -17.468 0.617 1.00 0.00 N ATOM 0 H GLN A 89 8.955 -14.507 -1.967 1.00 0.00 H new ATOM 0 HA GLN A 89 6.949 -14.415 -4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.506 -15.820 -2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.948 -16.653 -3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.969 -16.501 -1.088 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.729 -15.403 -0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.179 -16.725 1.225 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.290 -18.237 1.009 1.00 0.00 H new ATOM 1345 N PRO A 90 5.937 -12.376 -2.992 1.00 0.00 N ATOM 1346 CA PRO A 90 5.346 -11.217 -2.311 1.00 0.00 C ATOM 1347 C PRO A 90 4.154 -11.585 -1.446 1.00 0.00 C ATOM 1348 O PRO A 90 3.521 -12.626 -1.639 1.00 0.00 O ATOM 1349 CB PRO A 90 4.891 -10.295 -3.432 1.00 0.00 C ATOM 1350 CG PRO A 90 4.764 -11.165 -4.641 1.00 0.00 C ATOM 1351 CD PRO A 90 5.756 -12.311 -4.460 1.00 0.00 C ATOM 0 HA PRO A 90 6.073 -10.763 -1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.940 -9.821 -3.188 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.612 -9.495 -3.599 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.747 -11.545 -4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.984 -10.602 -5.548 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.366 -13.247 -4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.697 -12.113 -4.973 1.00 0.00 H new ATOM 1359 N LYS A 91 3.854 -10.723 -0.494 1.00 0.00 N ATOM 1360 CA LYS A 91 2.723 -10.939 0.388 1.00 0.00 C ATOM 1361 C LYS A 91 1.643 -9.891 0.146 1.00 0.00 C ATOM 1362 O LYS A 91 1.926 -8.780 -0.308 1.00 0.00 O ATOM 1363 CB LYS A 91 3.152 -10.883 1.870 1.00 0.00 C ATOM 1364 CG LYS A 91 4.369 -11.750 2.256 1.00 0.00 C ATOM 1365 CD LYS A 91 4.841 -11.508 3.700 1.00 0.00 C ATOM 1366 CE LYS A 91 5.499 -12.755 4.297 1.00 0.00 C ATOM 1367 NZ LYS A 91 4.616 -13.948 4.201 1.00 0.00 N ATOM 0 H LYS A 91 4.377 -9.867 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 91 2.326 -11.930 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.374 -9.847 2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.305 -11.187 2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.113 -12.802 2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.190 -11.541 1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.549 -10.679 3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.991 -11.214 4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.436 -12.955 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.747 -12.570 5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.801 -14.582 5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.621 -13.646 4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.808 -14.451 3.311 1.00 0.00 H new ATOM 1381 N ILE A 92 0.413 -10.274 0.449 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.709 -9.350 0.427 1.00 0.00 C ATOM 1383 C ILE A 92 -1.160 -9.045 1.848 1.00 0.00 C ATOM 1384 O ILE A 92 -1.284 -9.943 2.682 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.912 -9.857 -0.432 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.909 -9.179 -1.805 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.247 -9.618 0.259 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.572 -7.712 -1.747 1.00 0.00 C ATOM 0 H ILE A 92 0.165 -11.227 0.715 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.355 -8.437 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.789 -10.933 -0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.190 -9.684 -2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.890 -9.301 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.055 -9.986 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.263 -10.147 1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.380 -8.550 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.588 -7.295 -2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.305 -7.194 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.579 -7.584 -1.317 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.369 -7.770 2.119 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.917 -7.329 3.387 1.00 0.00 C ATOM 1402 C VAL A 93 -3.224 -6.608 3.134 1.00 0.00 C ATOM 1403 O VAL A 93 -3.260 -5.621 2.405 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.949 -6.391 4.133 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.530 -5.214 3.271 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.560 -5.895 5.435 1.00 0.00 C ATOM 0 H VAL A 93 -1.164 -7.013 1.467 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.078 -8.207 4.013 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.057 -6.974 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.152 -4.576 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.030 -5.580 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.412 -4.640 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.854 -5.235 5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.478 -5.348 5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.785 -6.746 6.078 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.300 -7.093 3.708 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.590 -6.503 3.437 1.00 0.00 C ATOM 1418 C LYS A 94 -6.062 -5.703 4.637 1.00 0.00 C ATOM 1419 O LYS A 94 -5.810 -6.070 5.784 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.611 -7.570 3.074 1.00 0.00 C ATOM 1421 CG LYS A 94 -6.094 -8.598 2.110 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.917 -9.870 2.222 1.00 0.00 C ATOM 1423 CE LYS A 94 -7.000 -10.381 3.654 1.00 0.00 C ATOM 1424 NZ LYS A 94 -7.643 -11.722 3.730 1.00 0.00 N ATOM 0 H LYS A 94 -4.310 -7.881 4.355 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.487 -5.831 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.939 -8.071 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.488 -7.089 2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.142 -8.212 1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.046 -8.812 2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.923 -9.683 1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.478 -10.641 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.998 -10.435 4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.565 -9.673 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.680 -12.034 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.609 -11.666 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.090 -12.404 3.173 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.743 -4.613 4.356 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.177 -3.684 5.393 1.00 0.00 C ATOM 1440 C TRP A 95 -8.425 -4.217 6.101 1.00 0.00 C ATOM 1441 O TRP A 95 -9.398 -4.616 5.453 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.421 -2.291 4.773 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.928 -1.237 5.725 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.422 -0.903 6.956 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.034 -0.345 5.496 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.157 0.109 7.512 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.153 0.472 6.641 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -9.942 -0.160 4.435 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.140 1.445 6.763 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -10.914 0.813 4.553 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.013 1.601 5.705 1.00 0.00 C ATOM 0 H TRP A 95 -7.013 -4.341 3.411 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.395 -3.588 6.146 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.488 -1.940 4.333 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.138 -2.395 3.959 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.566 -1.371 7.420 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.991 0.527 8.428 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.879 -0.769 3.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.220 2.055 7.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.610 0.969 3.742 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.790 2.348 5.768 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.375 -4.231 7.433 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.456 -4.772 8.257 1.00 0.00 C ATOM 1464 C ASP A 96 -10.729 -3.931 8.122 1.00 0.00 C ATOM 1465 O ASP A 96 -10.884 -2.895 8.766 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.011 -4.880 9.733 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.560 -3.564 10.335 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -9.325 -2.978 11.132 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.434 -3.122 10.031 1.00 0.00 O ATOM 0 H ASP A 96 -7.587 -3.869 7.970 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.687 -5.775 7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.838 -5.274 10.324 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.196 -5.600 9.805 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.638 -4.389 7.257 1.00 0.00 N ATOM 1475 CA ARG A 97 -12.921 -3.717 7.056 1.00 0.00 C ATOM 1476 C ARG A 97 -13.826 -4.567 6.167 1.00 0.00 C ATOM 1477 O ARG A 97 -15.023 -4.309 6.050 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.699 -2.321 6.436 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.522 -2.303 4.915 1.00 0.00 C ATOM 1480 CD ARG A 97 -13.873 -2.175 4.176 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.765 -1.201 4.809 1.00 0.00 N ATOM 1482 CZ ARG A 97 -15.871 -0.728 4.233 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.242 -1.170 3.037 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -16.625 0.164 4.861 1.00 0.00 N ATOM 0 H ARG A 97 -11.507 -5.223 6.685 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.410 -3.589 8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.547 -1.687 6.694 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.816 -1.874 6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.876 -1.471 4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.020 -3.217 4.598 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.692 -1.880 3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.363 -3.148 4.149 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.527 -0.866 5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.681 -1.873 2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.088 -0.806 2.599 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -16.360 0.492 5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -17.470 0.522 4.415 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.244 -5.602 5.579 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.934 -6.419 4.579 1.00 0.00 C ATOM 1500 C ASP A 98 -13.143 -7.699 4.265 1.00 0.00 C ATOM 1501 O ASP A 98 -13.603 -8.545 3.504 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.116 -5.607 3.300 1.00 0.00 C ATOM 1503 CG ASP A 98 -15.141 -6.214 2.362 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -16.351 -6.041 2.618 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -14.747 -6.872 1.378 1.00 0.00 O ATOM 0 H ASP A 98 -12.289 -5.901 5.776 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.905 -6.707 4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.422 -4.593 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.159 -5.530 2.784 1.00 0.00 H new ATOM 1510 N MET A 99 -11.960 -7.841 4.872 1.00 0.00 N ATOM 1511 CA MET A 99 -11.074 -8.985 4.609 1.00 0.00 C ATOM 1512 C MET A 99 -11.725 -10.302 5.020 1.00 0.00 C ATOM 1513 CB MET A 99 -9.706 -8.829 5.315 1.00 0.00 C ATOM 1514 CG MET A 99 -9.682 -7.844 6.510 1.00 0.00 C ATOM 1515 SD MET A 99 -11.039 -8.047 7.684 1.00 0.00 S ATOM 1516 CE MET A 99 -10.439 -9.429 8.657 1.00 0.00 C ATOM 0 H MET A 99 -11.591 -7.176 5.552 1.00 0.00 H new ATOM 0 HA MET A 99 -10.901 -9.003 3.533 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.385 -9.809 5.668 1.00 0.00 H new ATOM 0 HB3 MET A 99 -8.973 -8.499 4.579 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.738 -7.963 7.042 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.703 -6.825 6.124 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.169 -9.675 9.428 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.290 -10.293 8.009 1.00 0.00 H new ATOM 0 HE3 MET A 99 -9.493 -9.160 9.126 1.00 0.00 H new TER 1525 MET A 99