USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 622 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLN C :(H bumps) USER MOD Set 1.1: A 10 SER OG : rot -54:sc= 1.06 USER MOD Set 1.2: A 11 HIS : no HD1:sc= 0.944 K(o=2,f=-2.4) USER MOD Set 2.1: A 1 MET CE :methyl -143:sc= 0 (180deg=-1.32) USER MOD Set 2.2: A 57 GLN :FLIP amide:sc= -0.392 F(o=-1.1,f=-0.39) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.0864 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.4) USER MOD Single : A 9 SER OG : rot -165:sc= 0.394 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0063 USER MOD Single : A 21 THR OG1 : rot -140:sc= 1 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0964 F(o=-0.64,f=-0.096) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0398 K(o=-0.04,f=-0.9) USER MOD Single : A 40 GLN : amide:sc= -0.961 K(o=-0.96,f=-4) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc=-0.000322 (180deg=-0.098) USER MOD Single : A 52 ASN : amide:sc=-0.00523 X(o=-0.0052,f=-0.014) USER MOD Single : A 55 THR OG1 : rot 133:sc= 0.848 USER MOD Single : A 58 ASN : amide:sc= -1.85 X(o=-1.8,f=-2.1!) USER MOD Single : A 59 CYS SG : rot 74:sc= 0.752 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 68 HIS : no HD1:sc= -1.35 X(o=-1.3,f=-1.3) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= -0.0313 (180deg=-0.197) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.475 0.243 -0.085 1.00 0.00 N ATOM 2 CA MET A 1 3.111 0.030 -1.397 1.00 0.00 C ATOM 3 C MET A 1 2.474 -1.143 -2.115 1.00 0.00 C ATOM 4 O MET A 1 1.828 -1.989 -1.496 1.00 0.00 O ATOM 5 CB MET A 1 4.622 -0.230 -1.242 1.00 0.00 C ATOM 6 CG MET A 1 4.961 -1.479 -0.437 1.00 0.00 C ATOM 7 SD MET A 1 6.726 -1.861 -0.456 1.00 0.00 S ATOM 8 CE MET A 1 6.781 -3.282 0.625 1.00 0.00 C ATOM 0 H1 MET A 1 3.208 0.299 0.651 1.00 0.00 H new ATOM 0 H2 MET A 1 1.933 1.130 -0.102 1.00 0.00 H new ATOM 0 H3 MET A 1 1.835 -0.550 0.123 1.00 0.00 H new ATOM 0 HA MET A 1 2.965 0.936 -1.984 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.068 -0.318 -2.233 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.081 0.634 -0.761 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.634 -1.342 0.594 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.405 -2.327 -0.838 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.690 -3.248 1.225 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.912 -3.273 1.283 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.775 -4.194 0.028 1.00 0.00 H new ATOM 20 N ILE A 2 2.656 -1.184 -3.419 1.00 0.00 N ATOM 21 CA ILE A 2 2.160 -2.272 -4.236 1.00 0.00 C ATOM 22 C ILE A 2 3.322 -3.184 -4.596 1.00 0.00 C ATOM 23 O ILE A 2 4.276 -2.751 -5.243 1.00 0.00 O ATOM 24 CB ILE A 2 1.500 -1.740 -5.529 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.268 -0.888 -5.193 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.129 -2.888 -6.461 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.938 -1.686 -4.780 1.00 0.00 C ATOM 0 H ILE A 2 3.153 -0.463 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 2 1.406 -2.821 -3.672 1.00 0.00 H new ATOM 0 HB ILE A 2 2.222 -1.108 -6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.526 -0.197 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.010 -0.284 -6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.666 -2.489 -7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.027 -3.444 -6.729 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.428 -3.553 -5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.764 -1.010 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.225 -2.358 -5.589 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.701 -2.270 -3.891 1.00 0.00 H new ATOM 39 N VAL A 3 3.257 -4.424 -4.170 1.00 0.00 N ATOM 40 CA VAL A 3 4.336 -5.357 -4.426 1.00 0.00 C ATOM 41 C VAL A 3 3.954 -6.320 -5.536 1.00 0.00 C ATOM 42 O VAL A 3 2.776 -6.536 -5.800 1.00 0.00 O ATOM 43 CB VAL A 3 4.726 -6.145 -3.149 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.021 -5.188 -2.005 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.640 -7.132 -2.750 1.00 0.00 C ATOM 0 H VAL A 3 2.472 -4.812 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 3 5.203 -4.776 -4.740 1.00 0.00 H new ATOM 0 HB VAL A 3 5.627 -6.716 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.293 -5.757 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.846 -4.532 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.136 -4.588 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.947 -7.667 -1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.713 -6.593 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.481 -7.844 -3.559 1.00 0.00 H new ATOM 55 N PHE A 4 4.943 -6.882 -6.190 1.00 0.00 N ATOM 56 CA PHE A 4 4.694 -7.819 -7.266 1.00 0.00 C ATOM 57 C PHE A 4 4.900 -9.236 -6.785 1.00 0.00 C ATOM 58 O PHE A 4 5.843 -9.522 -6.038 1.00 0.00 O ATOM 59 CB PHE A 4 5.599 -7.521 -8.460 1.00 0.00 C ATOM 60 CG PHE A 4 5.431 -6.133 -8.999 1.00 0.00 C ATOM 61 CD1 PHE A 4 6.436 -5.193 -8.851 1.00 0.00 C ATOM 62 CD2 PHE A 4 4.263 -5.763 -9.639 1.00 0.00 C ATOM 63 CE1 PHE A 4 6.281 -3.913 -9.334 1.00 0.00 C ATOM 64 CE2 PHE A 4 4.100 -4.484 -10.126 1.00 0.00 C ATOM 65 CZ PHE A 4 5.110 -3.556 -9.974 1.00 0.00 C ATOM 0 H PHE A 4 5.929 -6.708 -5.997 1.00 0.00 H new ATOM 0 HA PHE A 4 3.658 -7.709 -7.588 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.638 -7.665 -8.164 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.391 -8.239 -9.253 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.353 -5.467 -8.351 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.469 -6.485 -9.759 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.073 -3.189 -9.213 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.183 -4.208 -10.626 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.985 -2.553 -10.355 1.00 0.00 H new ATOM 75 N VAL A 5 4.023 -10.120 -7.203 1.00 0.00 N ATOM 76 CA VAL A 5 4.106 -11.501 -6.812 1.00 0.00 C ATOM 77 C VAL A 5 3.747 -12.423 -7.982 1.00 0.00 C ATOM 78 O VAL A 5 2.727 -12.246 -8.652 1.00 0.00 O ATOM 79 CB VAL A 5 3.191 -11.784 -5.590 1.00 0.00 C ATOM 80 CG1 VAL A 5 1.752 -11.446 -5.894 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.313 -13.218 -5.132 1.00 0.00 C ATOM 0 H VAL A 5 3.240 -9.901 -7.818 1.00 0.00 H new ATOM 0 HA VAL A 5 5.136 -11.707 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 5 3.527 -11.140 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.136 -11.655 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.673 -10.389 -6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.406 -12.049 -6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.660 -13.383 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.023 -13.885 -5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.345 -13.422 -4.846 1.00 0.00 H new ATOM 91 N ARG A 6 4.602 -13.385 -8.233 1.00 0.00 N ATOM 92 CA ARG A 6 4.392 -14.327 -9.311 1.00 0.00 C ATOM 93 C ARG A 6 3.984 -15.680 -8.767 1.00 0.00 C ATOM 94 O ARG A 6 4.814 -16.449 -8.275 1.00 0.00 O ATOM 95 CB ARG A 6 5.644 -14.436 -10.194 1.00 0.00 C ATOM 96 CG ARG A 6 6.943 -14.507 -9.414 1.00 0.00 C ATOM 97 CD ARG A 6 8.147 -14.532 -10.336 1.00 0.00 C ATOM 98 NE ARG A 6 8.424 -15.866 -10.871 1.00 0.00 N ATOM 99 CZ ARG A 6 9.118 -16.090 -11.991 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.491 -15.073 -12.759 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 9.422 -17.332 -12.349 1.00 0.00 N ATOM 0 H ARG A 6 5.458 -13.538 -7.701 1.00 0.00 H new ATOM 0 HA ARG A 6 3.578 -13.958 -9.935 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.559 -15.324 -10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.680 -13.577 -10.863 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.014 -13.649 -8.745 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.944 -15.400 -8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.980 -13.841 -11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.022 -14.174 -9.793 1.00 0.00 H new ATOM 0 HE ARG A 6 8.066 -16.672 -10.359 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.248 -14.118 -12.495 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.021 -15.246 -13.613 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.126 -18.117 -11.769 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.952 -17.501 -13.204 1.00 0.00 H new ATOM 115 N PHE A 7 2.701 -15.962 -8.848 1.00 0.00 N ATOM 116 CA PHE A 7 2.168 -17.214 -8.366 1.00 0.00 C ATOM 117 C PHE A 7 2.394 -18.296 -9.400 1.00 0.00 C ATOM 118 O PHE A 7 1.967 -18.163 -10.546 1.00 0.00 O ATOM 119 CB PHE A 7 0.673 -17.080 -8.060 1.00 0.00 C ATOM 120 CG PHE A 7 0.080 -18.297 -7.413 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.132 -18.455 -6.042 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.525 -19.285 -8.175 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.404 -19.570 -5.440 1.00 0.00 C ATOM 124 CE2 PHE A 7 -1.064 -20.405 -7.578 1.00 0.00 C ATOM 125 CZ PHE A 7 -1.003 -20.548 -6.207 1.00 0.00 C ATOM 0 H PHE A 7 2.004 -15.333 -9.247 1.00 0.00 H new ATOM 0 HA PHE A 7 2.684 -17.484 -7.445 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.520 -16.221 -7.407 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.138 -16.875 -8.987 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.599 -17.694 -5.435 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.575 -19.176 -9.248 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.356 -19.680 -4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.533 -21.168 -8.182 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.423 -21.424 -5.735 1.00 0.00 H new ATOM 135 N ASN A 8 3.108 -19.345 -8.997 1.00 0.00 N ATOM 136 CA ASN A 8 3.421 -20.478 -9.871 1.00 0.00 C ATOM 137 C ASN A 8 4.270 -20.001 -11.057 1.00 0.00 C ATOM 138 O ASN A 8 4.320 -20.641 -12.110 1.00 0.00 O ATOM 139 CB ASN A 8 2.118 -21.152 -10.348 1.00 0.00 C ATOM 140 CG ASN A 8 2.346 -22.500 -11.005 1.00 0.00 C ATOM 141 OD1 ASN A 8 3.305 -23.206 -10.693 1.00 0.00 O ATOM 142 ND2 ASN A 8 1.460 -22.871 -11.909 1.00 0.00 N ATOM 0 H ASN A 8 3.487 -19.435 -8.054 1.00 0.00 H new ATOM 0 HA ASN A 8 3.998 -21.218 -9.316 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.450 -21.279 -9.496 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.613 -20.492 -11.054 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.556 -23.772 -12.377 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.679 -22.257 -12.140 1.00 0.00 H new ATOM 149 N SER A 9 4.950 -18.859 -10.850 1.00 0.00 N ATOM 150 CA SER A 9 5.792 -18.227 -11.868 1.00 0.00 C ATOM 151 C SER A 9 4.957 -17.708 -13.044 1.00 0.00 C ATOM 152 O SER A 9 5.496 -17.344 -14.093 1.00 0.00 O ATOM 153 CB SER A 9 6.876 -19.199 -12.352 1.00 0.00 C ATOM 154 OG SER A 9 7.754 -19.545 -11.287 1.00 0.00 O ATOM 0 H SER A 9 4.927 -18.350 -9.966 1.00 0.00 H new ATOM 0 HA SER A 9 6.281 -17.367 -11.409 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.411 -20.099 -12.753 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.443 -18.744 -13.164 1.00 0.00 H new ATOM 0 HG SER A 9 8.562 -19.963 -11.652 1.00 0.00 H new ATOM 160 N SER A 10 3.651 -17.636 -12.846 1.00 0.00 N ATOM 161 CA SER A 10 2.744 -17.203 -13.882 1.00 0.00 C ATOM 162 C SER A 10 2.503 -15.694 -13.811 1.00 0.00 C ATOM 163 O SER A 10 2.041 -15.177 -12.787 1.00 0.00 O ATOM 164 CB SER A 10 1.414 -17.964 -13.758 1.00 0.00 C ATOM 165 OG SER A 10 0.552 -17.703 -14.858 1.00 0.00 O ATOM 0 H SER A 10 3.197 -17.876 -11.965 1.00 0.00 H new ATOM 0 HA SER A 10 3.196 -17.422 -14.850 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.612 -19.034 -13.697 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.917 -17.679 -12.831 1.00 0.00 H new ATOM 0 HG SER A 10 0.430 -16.736 -14.956 1.00 0.00 H new ATOM 171 N HIS A 11 2.845 -15.004 -14.905 1.00 0.00 N ATOM 172 CA HIS A 11 2.605 -13.559 -15.072 1.00 0.00 C ATOM 173 C HIS A 11 3.386 -12.689 -14.078 1.00 0.00 C ATOM 174 O HIS A 11 4.440 -12.138 -14.410 1.00 0.00 O ATOM 175 CB HIS A 11 1.101 -13.238 -14.985 1.00 0.00 C ATOM 176 CG HIS A 11 0.272 -13.885 -16.056 1.00 0.00 C ATOM 177 ND1 HIS A 11 -0.263 -15.142 -15.889 1.00 0.00 N ATOM 178 CD2 HIS A 11 -0.085 -13.409 -17.270 1.00 0.00 C ATOM 179 CE1 HIS A 11 -0.932 -15.397 -17.001 1.00 0.00 C ATOM 180 NE2 HIS A 11 -0.853 -14.377 -17.866 1.00 0.00 N ATOM 0 H HIS A 11 3.301 -15.434 -15.710 1.00 0.00 H new ATOM 0 HA HIS A 11 2.976 -13.310 -16.066 1.00 0.00 H new ATOM 0 HB2 HIS A 11 0.729 -13.556 -14.011 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.967 -12.158 -15.040 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.183 -12.451 -17.690 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.474 -16.312 -17.188 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.282 -14.329 -18.790 1.00 0.00 H new ATOM 188 N GLY A 12 2.879 -12.590 -12.868 1.00 0.00 N ATOM 189 CA GLY A 12 3.464 -11.713 -11.883 1.00 0.00 C ATOM 190 C GLY A 12 2.559 -10.534 -11.637 1.00 0.00 C ATOM 191 O GLY A 12 2.763 -9.454 -12.190 1.00 0.00 O ATOM 0 H GLY A 12 2.062 -13.108 -12.545 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.627 -12.256 -10.952 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.439 -11.367 -12.226 1.00 0.00 H new ATOM 195 N PHE A 13 1.556 -10.742 -10.811 1.00 0.00 N ATOM 196 CA PHE A 13 0.553 -9.729 -10.556 1.00 0.00 C ATOM 197 C PHE A 13 0.894 -8.903 -9.318 1.00 0.00 C ATOM 198 O PHE A 13 1.619 -9.363 -8.436 1.00 0.00 O ATOM 199 CB PHE A 13 -0.843 -10.371 -10.424 1.00 0.00 C ATOM 200 CG PHE A 13 -0.904 -11.555 -9.490 1.00 0.00 C ATOM 201 CD1 PHE A 13 -1.164 -11.384 -8.139 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.710 -12.841 -9.971 1.00 0.00 C ATOM 203 CE1 PHE A 13 -1.229 -12.471 -7.289 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.772 -13.929 -9.126 1.00 0.00 C ATOM 205 CZ PHE A 13 -1.032 -13.744 -7.783 1.00 0.00 C ATOM 0 H PHE A 13 1.413 -11.613 -10.300 1.00 0.00 H new ATOM 0 HA PHE A 13 0.540 -9.049 -11.408 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.545 -9.614 -10.076 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.178 -10.687 -11.412 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.317 -10.390 -7.747 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.508 -12.992 -11.021 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.434 -12.324 -6.239 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.617 -14.925 -9.515 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.081 -14.595 -7.120 1.00 0.00 H new ATOM 215 N PRO A 14 0.398 -7.660 -9.252 1.00 0.00 N ATOM 216 CA PRO A 14 0.641 -6.771 -8.134 1.00 0.00 C ATOM 217 C PRO A 14 -0.371 -6.966 -7.002 1.00 0.00 C ATOM 218 O PRO A 14 -1.580 -7.076 -7.238 1.00 0.00 O ATOM 219 CB PRO A 14 0.480 -5.366 -8.754 1.00 0.00 C ATOM 220 CG PRO A 14 0.047 -5.589 -10.179 1.00 0.00 C ATOM 221 CD PRO A 14 -0.422 -7.006 -10.264 1.00 0.00 C ATOM 0 HA PRO A 14 1.616 -6.948 -7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.260 -4.781 -8.208 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.418 -4.812 -8.713 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.751 -4.899 -10.454 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.873 -5.412 -10.868 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.486 -7.097 -10.047 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.261 -7.430 -11.255 1.00 0.00 H new ATOM 229 N VAL A 15 0.130 -7.007 -5.785 1.00 0.00 N ATOM 230 CA VAL A 15 -0.703 -7.157 -4.612 1.00 0.00 C ATOM 231 C VAL A 15 -0.477 -5.994 -3.648 1.00 0.00 C ATOM 232 O VAL A 15 0.664 -5.630 -3.341 1.00 0.00 O ATOM 233 CB VAL A 15 -0.453 -8.519 -3.891 1.00 0.00 C ATOM 234 CG1 VAL A 15 -1.132 -8.550 -2.525 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.969 -9.663 -4.747 1.00 0.00 C ATOM 0 H VAL A 15 1.127 -6.937 -5.582 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.741 -7.148 -4.943 1.00 0.00 H new ATOM 0 HB VAL A 15 0.621 -8.632 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.941 -9.510 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.734 -7.748 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.206 -8.414 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.790 -10.609 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.039 -9.538 -4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.449 -9.664 -5.705 1.00 0.00 H new ATOM 245 N GLU A 16 -1.567 -5.398 -3.204 1.00 0.00 N ATOM 246 CA GLU A 16 -1.518 -4.280 -2.286 1.00 0.00 C ATOM 247 C GLU A 16 -1.419 -4.784 -0.857 1.00 0.00 C ATOM 248 O GLU A 16 -2.154 -5.692 -0.455 1.00 0.00 O ATOM 249 CB GLU A 16 -2.765 -3.421 -2.467 1.00 0.00 C ATOM 250 CG GLU A 16 -2.826 -2.191 -1.588 1.00 0.00 C ATOM 251 CD GLU A 16 -4.050 -1.361 -1.878 1.00 0.00 C ATOM 252 OE1 GLU A 16 -5.131 -1.679 -1.339 1.00 0.00 O ATOM 253 OE2 GLU A 16 -3.947 -0.396 -2.661 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.511 -5.677 -3.471 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.637 -3.674 -2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.824 -3.108 -3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.643 -4.035 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.830 -2.492 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.932 -1.588 -1.743 1.00 0.00 H new ATOM 260 N VAL A 17 -0.509 -4.205 -0.095 1.00 0.00 N ATOM 261 CA VAL A 17 -0.300 -4.623 1.286 1.00 0.00 C ATOM 262 C VAL A 17 -0.245 -3.422 2.220 1.00 0.00 C ATOM 263 O VAL A 17 -0.230 -2.270 1.773 1.00 0.00 O ATOM 264 CB VAL A 17 1.009 -5.440 1.445 1.00 0.00 C ATOM 265 CG1 VAL A 17 0.963 -6.714 0.613 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.223 -4.598 1.071 1.00 0.00 C ATOM 0 H VAL A 17 0.097 -3.446 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.148 -5.255 1.552 1.00 0.00 H new ATOM 0 HB VAL A 17 1.100 -5.724 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.893 -7.267 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.125 -7.331 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.838 -6.457 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.129 -5.192 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.136 -4.274 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.274 -3.724 1.721 1.00 0.00 H new ATOM 276 N ASP A 18 -0.220 -3.694 3.511 1.00 0.00 N ATOM 277 CA ASP A 18 -0.119 -2.652 4.517 1.00 0.00 C ATOM 278 C ASP A 18 1.270 -2.686 5.137 1.00 0.00 C ATOM 279 O ASP A 18 2.024 -3.642 4.938 1.00 0.00 O ATOM 280 CB ASP A 18 -1.185 -2.844 5.615 1.00 0.00 C ATOM 281 CG ASP A 18 -1.341 -1.621 6.515 1.00 0.00 C ATOM 282 OD1 ASP A 18 -2.265 -0.820 6.274 1.00 0.00 O ATOM 283 OD2 ASP A 18 -0.536 -1.455 7.460 1.00 0.00 O1- ATOM 0 H ASP A 18 -0.269 -4.639 3.892 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.289 -1.686 4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.144 -3.069 5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.918 -3.706 6.226 1.00 0.00 H new ATOM 288 N SER A 19 1.597 -1.663 5.888 1.00 0.00 N ATOM 289 CA SER A 19 2.879 -1.555 6.541 1.00 0.00 C ATOM 290 C SER A 19 3.079 -2.650 7.601 1.00 0.00 C ATOM 291 O SER A 19 4.207 -2.938 7.997 1.00 0.00 O ATOM 292 CB SER A 19 3.009 -0.175 7.178 1.00 0.00 C ATOM 293 OG SER A 19 1.872 0.124 7.981 1.00 0.00 O ATOM 0 H SER A 19 0.975 -0.874 6.065 1.00 0.00 H new ATOM 0 HA SER A 19 3.654 -1.690 5.787 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.911 -0.136 7.789 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.118 0.580 6.400 1.00 0.00 H new ATOM 0 HG SER A 19 1.978 1.013 8.380 1.00 0.00 H new ATOM 299 N ASP A 20 1.988 -3.260 8.053 1.00 0.00 N ATOM 300 CA ASP A 20 2.077 -4.288 9.086 1.00 0.00 C ATOM 301 C ASP A 20 1.736 -5.667 8.538 1.00 0.00 C ATOM 302 O ASP A 20 1.634 -6.627 9.300 1.00 0.00 O ATOM 303 CB ASP A 20 1.139 -3.962 10.256 1.00 0.00 C ATOM 304 CG ASP A 20 -0.304 -4.387 10.000 1.00 0.00 C ATOM 305 OD1 ASP A 20 -0.860 -4.037 8.943 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.886 -5.076 10.867 1.00 0.00 O1- ATOM 0 H ASP A 20 1.042 -3.064 7.726 1.00 0.00 H new ATOM 0 HA ASP A 20 3.109 -4.300 9.437 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.504 -4.458 11.156 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.167 -2.890 10.449 1.00 0.00 H new ATOM 311 N THR A 21 1.563 -5.770 7.228 1.00 0.00 N ATOM 312 CA THR A 21 1.207 -7.037 6.617 1.00 0.00 C ATOM 313 C THR A 21 2.317 -8.067 6.800 1.00 0.00 C ATOM 314 O THR A 21 3.407 -7.924 6.254 1.00 0.00 O ATOM 315 CB THR A 21 0.888 -6.864 5.115 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.240 -5.996 4.964 1.00 0.00 O ATOM 317 CG2 THR A 21 0.588 -8.203 4.451 1.00 0.00 C ATOM 0 H THR A 21 1.663 -4.995 6.573 1.00 0.00 H new ATOM 0 HA THR A 21 0.311 -7.399 7.121 1.00 0.00 H new ATOM 0 HB THR A 21 1.764 -6.432 4.630 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.819 -6.333 4.248 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.368 -8.044 3.395 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.454 -8.859 4.547 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.272 -8.665 4.936 1.00 0.00 H new ATOM 325 N SER A 22 2.044 -9.080 7.601 1.00 0.00 N ATOM 326 CA SER A 22 2.994 -10.145 7.825 1.00 0.00 C ATOM 327 C SER A 22 3.084 -11.029 6.589 1.00 0.00 C ATOM 328 O SER A 22 2.129 -11.114 5.810 1.00 0.00 O ATOM 329 CB SER A 22 2.573 -10.986 9.029 1.00 0.00 C ATOM 330 OG SER A 22 2.393 -10.184 10.185 1.00 0.00 O ATOM 0 H SER A 22 1.165 -9.185 8.109 1.00 0.00 H new ATOM 0 HA SER A 22 3.971 -9.705 8.025 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.645 -11.511 8.801 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.329 -11.746 9.226 1.00 0.00 H new ATOM 0 HG SER A 22 2.122 -10.751 10.937 1.00 0.00 H new ATOM 336 N ILE A 23 4.224 -11.680 6.404 1.00 0.00 N ATOM 337 CA ILE A 23 4.414 -12.586 5.276 1.00 0.00 C ATOM 338 C ILE A 23 3.358 -13.695 5.310 1.00 0.00 C ATOM 339 O ILE A 23 2.889 -14.157 4.270 1.00 0.00 O ATOM 340 CB ILE A 23 5.837 -13.208 5.274 1.00 0.00 C ATOM 341 CG1 ILE A 23 6.909 -12.103 5.295 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.032 -14.120 4.063 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.855 -11.165 4.102 1.00 0.00 C ATOM 0 H ILE A 23 5.033 -11.599 7.020 1.00 0.00 H new ATOM 0 HA ILE A 23 4.303 -12.005 4.360 1.00 0.00 H new ATOM 0 HB ILE A 23 5.944 -13.812 6.175 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.796 -11.519 6.208 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.894 -12.568 5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.036 -14.543 4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.298 -14.925 4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.901 -13.543 3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.642 -10.416 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.000 -11.735 3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.884 -10.670 4.072 1.00 0.00 H new ATOM 355 N PHE A 24 2.972 -14.101 6.522 1.00 0.00 N ATOM 356 CA PHE A 24 1.928 -15.099 6.702 1.00 0.00 C ATOM 357 C PHE A 24 0.620 -14.601 6.094 1.00 0.00 C ATOM 358 O PHE A 24 -0.050 -15.324 5.360 1.00 0.00 O ATOM 359 CB PHE A 24 1.721 -15.401 8.188 1.00 0.00 C ATOM 360 CG PHE A 24 0.781 -16.542 8.441 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.167 -17.844 8.175 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.489 -16.314 8.942 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.306 -18.895 8.403 1.00 0.00 C ATOM 364 CE2 PHE A 24 -1.354 -17.362 9.172 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.955 -18.656 8.901 1.00 0.00 C ATOM 0 H PHE A 24 3.371 -13.750 7.392 1.00 0.00 H new ATOM 0 HA PHE A 24 2.237 -16.014 6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.686 -15.628 8.642 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.338 -14.508 8.682 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.155 -18.038 7.784 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.806 -15.304 9.155 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.620 -19.906 8.191 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.342 -17.172 9.564 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.631 -19.479 9.079 1.00 0.00 H new ATOM 375 N GLN A 25 0.282 -13.350 6.396 1.00 0.00 N ATOM 376 CA GLN A 25 -0.926 -12.731 5.871 1.00 0.00 C ATOM 377 C GLN A 25 -0.832 -12.599 4.364 1.00 0.00 C ATOM 378 O GLN A 25 -1.775 -12.909 3.654 1.00 0.00 O ATOM 379 CB GLN A 25 -1.151 -11.352 6.501 1.00 0.00 C ATOM 380 CG GLN A 25 -1.454 -11.382 7.993 1.00 0.00 C ATOM 381 CD GLN A 25 -2.716 -12.156 8.315 1.00 0.00 C ATOM 382 OE1 GLN A 25 -2.568 -13.427 8.601 1.00 0.00 O flip ATOM 383 NE2 GLN A 25 -3.814 -11.602 8.318 1.00 0.00 N flip ATOM 0 H GLN A 25 0.833 -12.745 7.005 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.773 -13.369 6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.263 -10.742 6.335 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.976 -10.861 5.985 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.613 -11.830 8.522 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.555 -10.361 8.360 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.886 -10.611 8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.653 -12.134 8.549 1.00 0.00 H new ATOM 392 N LEU A 26 0.326 -12.149 3.886 1.00 0.00 N ATOM 393 CA LEU A 26 0.563 -11.994 2.453 1.00 0.00 C ATOM 394 C LEU A 26 0.357 -13.322 1.732 1.00 0.00 C ATOM 395 O LEU A 26 -0.246 -13.371 0.657 1.00 0.00 O ATOM 396 CB LEU A 26 1.980 -11.464 2.205 1.00 0.00 C ATOM 397 CG LEU A 26 2.391 -11.300 0.737 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.463 -10.330 0.019 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.831 -10.831 0.642 1.00 0.00 C ATOM 0 H LEU A 26 1.117 -11.885 4.473 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.153 -11.273 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.076 -10.497 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.688 -12.139 2.686 1.00 0.00 H new ATOM 0 HG LEU A 26 2.309 -12.270 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.775 -10.230 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.441 -10.708 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.507 -9.356 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.109 -10.719 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.936 -9.872 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.484 -11.565 1.114 1.00 0.00 H new ATOM 411 N LYS A 27 0.853 -14.394 2.339 1.00 0.00 N ATOM 412 CA LYS A 27 0.695 -15.731 1.795 1.00 0.00 C ATOM 413 C LYS A 27 -0.784 -16.061 1.655 1.00 0.00 C ATOM 414 O LYS A 27 -1.227 -16.552 0.620 1.00 0.00 O ATOM 415 CB LYS A 27 1.371 -16.757 2.709 1.00 0.00 C ATOM 416 CG LYS A 27 1.372 -18.177 2.152 1.00 0.00 C ATOM 417 CD LYS A 27 2.222 -19.123 2.998 1.00 0.00 C ATOM 418 CE LYS A 27 1.649 -19.312 4.395 1.00 0.00 C ATOM 419 NZ LYS A 27 2.461 -20.267 5.197 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.372 -14.358 3.216 1.00 0.00 H new ATOM 0 HA LYS A 27 1.166 -15.769 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.401 -16.447 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.866 -16.757 3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.349 -18.550 2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.751 -18.165 1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.291 -20.091 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.236 -18.730 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.609 -18.350 4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.624 -19.677 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.041 -20.371 6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.478 -21.192 4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.432 -19.906 5.287 1.00 0.00 H new ATOM 433 N GLU A 28 -1.541 -15.761 2.704 1.00 0.00 N ATOM 434 CA GLU A 28 -2.967 -16.008 2.723 1.00 0.00 C ATOM 435 C GLU A 28 -3.694 -15.151 1.689 1.00 0.00 C ATOM 436 O GLU A 28 -4.620 -15.622 1.029 1.00 0.00 O ATOM 437 CB GLU A 28 -3.530 -15.741 4.111 1.00 0.00 C ATOM 438 CG GLU A 28 -3.109 -16.752 5.162 1.00 0.00 C ATOM 439 CD GLU A 28 -3.890 -16.599 6.446 1.00 0.00 C ATOM 440 OE1 GLU A 28 -3.752 -15.554 7.110 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.656 -17.524 6.793 1.00 0.00 O1- ATOM 0 H GLU A 28 -1.179 -15.341 3.560 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.128 -17.055 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.216 -14.748 4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.618 -15.728 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.250 -17.760 4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.045 -16.636 5.370 1.00 0.00 H new ATOM 448 N VAL A 29 -3.266 -13.896 1.548 1.00 0.00 N ATOM 449 CA VAL A 29 -3.868 -12.979 0.584 1.00 0.00 C ATOM 450 C VAL A 29 -3.761 -13.528 -0.831 1.00 0.00 C ATOM 451 O VAL A 29 -4.743 -13.551 -1.579 1.00 0.00 O ATOM 452 CB VAL A 29 -3.220 -11.570 0.637 1.00 0.00 C ATOM 453 CG1 VAL A 29 -3.789 -10.675 -0.455 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.436 -10.935 2.000 1.00 0.00 C ATOM 0 H VAL A 29 -2.503 -13.492 2.091 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.918 -12.885 0.859 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.149 -11.682 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.321 -9.692 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.588 -11.118 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.865 -10.573 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.975 -9.948 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.505 -10.840 2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.984 -11.561 2.769 1.00 0.00 H new ATOM 464 N VAL A 30 -2.573 -13.975 -1.193 1.00 0.00 N ATOM 465 CA VAL A 30 -2.347 -14.536 -2.510 1.00 0.00 C ATOM 466 C VAL A 30 -3.061 -15.881 -2.642 1.00 0.00 C ATOM 467 O VAL A 30 -3.633 -16.196 -3.690 1.00 0.00 O ATOM 468 CB VAL A 30 -0.836 -14.710 -2.802 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.611 -15.287 -4.192 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.115 -13.377 -2.655 1.00 0.00 C ATOM 0 H VAL A 30 -1.749 -13.960 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.754 -13.838 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.427 -15.413 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.458 -15.399 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.095 -16.261 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.035 -14.615 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.946 -13.513 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.534 -12.657 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.241 -13.005 -1.638 1.00 0.00 H new ATOM 480 N ALA A 31 -3.051 -16.652 -1.561 1.00 0.00 N ATOM 481 CA ALA A 31 -3.686 -17.959 -1.537 1.00 0.00 C ATOM 482 C ALA A 31 -5.183 -17.862 -1.801 1.00 0.00 C ATOM 483 O ALA A 31 -5.705 -18.519 -2.702 1.00 0.00 O ATOM 484 CB ALA A 31 -3.436 -18.647 -0.209 1.00 0.00 C ATOM 0 H ALA A 31 -2.605 -16.389 -0.683 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.242 -18.552 -2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.919 -19.624 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.363 -18.772 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.846 -18.040 0.598 1.00 0.00 H new ATOM 490 N LYS A 32 -5.870 -17.029 -1.029 1.00 0.00 N ATOM 491 CA LYS A 32 -7.315 -16.875 -1.173 1.00 0.00 C ATOM 492 C LYS A 32 -7.668 -16.238 -2.510 1.00 0.00 C ATOM 493 O LYS A 32 -8.724 -16.509 -3.078 1.00 0.00 O ATOM 494 CB LYS A 32 -7.899 -16.036 -0.030 1.00 0.00 C ATOM 495 CG LYS A 32 -7.422 -14.590 -0.005 1.00 0.00 C ATOM 496 CD LYS A 32 -8.194 -13.782 1.012 1.00 0.00 C ATOM 497 CE LYS A 32 -7.702 -12.347 1.091 1.00 0.00 C ATOM 498 NZ LYS A 32 -8.402 -11.587 2.151 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.453 -16.451 -0.299 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.752 -17.873 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.986 -16.046 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.642 -16.507 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.358 -14.558 0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.542 -14.147 -0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.253 -13.788 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.103 -14.251 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.630 -12.340 1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.855 -11.856 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.040 -10.612 2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.423 -11.573 1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.235 -12.041 3.072 1.00 0.00 H new ATOM 512 N ARG A 33 -6.770 -15.402 -3.012 1.00 0.00 N ATOM 513 CA ARG A 33 -6.994 -14.710 -4.269 1.00 0.00 C ATOM 514 C ARG A 33 -6.962 -15.692 -5.433 1.00 0.00 C ATOM 515 O ARG A 33 -7.641 -15.507 -6.439 1.00 0.00 O ATOM 516 CB ARG A 33 -5.932 -13.626 -4.474 1.00 0.00 C ATOM 517 CG ARG A 33 -6.205 -12.705 -5.655 1.00 0.00 C ATOM 518 CD ARG A 33 -5.238 -11.530 -5.681 1.00 0.00 C ATOM 519 NE ARG A 33 -5.362 -10.689 -4.483 1.00 0.00 N ATOM 520 CZ ARG A 33 -4.956 -9.413 -4.408 1.00 0.00 C ATOM 521 NH1 ARG A 33 -4.377 -8.826 -5.453 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -5.132 -8.729 -3.285 1.00 0.00 N ATOM 0 H ARG A 33 -5.878 -15.188 -2.565 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.978 -14.242 -4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.861 -13.025 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.963 -14.104 -4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.120 -13.268 -6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.228 -12.334 -5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.217 -11.903 -5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.425 -10.926 -6.569 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.785 -11.103 -3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.239 -9.347 -6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.071 -7.855 -5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.575 -9.174 -2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.824 -7.758 -3.225 1.00 0.00 H new ATOM 536 N GLN A 34 -6.170 -16.737 -5.283 1.00 0.00 N ATOM 537 CA GLN A 34 -6.013 -17.738 -6.325 1.00 0.00 C ATOM 538 C GLN A 34 -6.833 -18.989 -6.023 1.00 0.00 C ATOM 539 O GLN A 34 -6.877 -19.922 -6.828 1.00 0.00 O ATOM 540 CB GLN A 34 -4.536 -18.084 -6.486 1.00 0.00 C ATOM 541 CG GLN A 34 -3.702 -16.907 -6.963 1.00 0.00 C ATOM 542 CD GLN A 34 -4.000 -16.535 -8.402 1.00 0.00 C ATOM 543 OE1 GLN A 34 -4.334 -17.392 -9.221 1.00 0.00 O ATOM 544 NE2 GLN A 34 -3.893 -15.260 -8.716 1.00 0.00 N ATOM 0 H GLN A 34 -5.621 -16.917 -4.443 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.387 -17.324 -7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.145 -18.437 -5.532 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.436 -18.905 -7.196 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.892 -16.047 -6.321 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.644 -17.151 -6.865 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.613 -14.582 -8.007 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.090 -14.951 -9.668 1.00 0.00 H new ATOM 553 N GLY A 35 -7.484 -18.997 -4.868 1.00 0.00 N ATOM 554 CA GLY A 35 -8.307 -20.126 -4.472 1.00 0.00 C ATOM 555 C GLY A 35 -7.486 -21.346 -4.101 1.00 0.00 C ATOM 556 O GLY A 35 -7.909 -22.480 -4.324 1.00 0.00 O ATOM 0 H GLY A 35 -7.457 -18.234 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.927 -19.838 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.983 -20.382 -5.288 1.00 0.00 H new ATOM 560 N VAL A 36 -6.326 -21.122 -3.520 1.00 0.00 N ATOM 561 CA VAL A 36 -5.436 -22.210 -3.148 1.00 0.00 C ATOM 562 C VAL A 36 -5.213 -22.244 -1.632 1.00 0.00 C ATOM 563 O VAL A 36 -5.434 -21.241 -0.945 1.00 0.00 O ATOM 564 CB VAL A 36 -4.069 -22.092 -3.873 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.266 -22.088 -5.381 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.324 -20.843 -3.424 1.00 0.00 C ATOM 0 H VAL A 36 -5.973 -20.192 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.916 -23.139 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.464 -22.959 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.298 -22.005 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.751 -23.015 -5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.891 -21.241 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.369 -20.782 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.921 -19.961 -3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.148 -20.891 -2.349 1.00 0.00 H new ATOM 576 N PRO A 37 -4.820 -23.407 -1.085 1.00 0.00 N ATOM 577 CA PRO A 37 -4.534 -23.543 0.344 1.00 0.00 C ATOM 578 C PRO A 37 -3.219 -22.863 0.729 1.00 0.00 C ATOM 579 O PRO A 37 -2.176 -23.118 0.128 1.00 0.00 O ATOM 580 CB PRO A 37 -4.434 -25.060 0.545 1.00 0.00 C ATOM 581 CG PRO A 37 -4.028 -25.594 -0.787 1.00 0.00 C ATOM 582 CD PRO A 37 -4.650 -24.686 -1.811 1.00 0.00 C ATOM 0 HA PRO A 37 -5.296 -23.071 0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.701 -25.310 1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.387 -25.480 0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.943 -25.607 -0.887 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.372 -26.620 -0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.009 -24.569 -2.685 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.604 -25.076 -2.165 1.00 0.00 H new ATOM 590 N ALA A 38 -3.275 -22.006 1.737 1.00 0.00 N ATOM 591 CA ALA A 38 -2.097 -21.278 2.194 1.00 0.00 C ATOM 592 C ALA A 38 -1.234 -22.144 3.103 1.00 0.00 C ATOM 593 O ALA A 38 -0.050 -21.870 3.303 1.00 0.00 O ATOM 594 CB ALA A 38 -2.511 -20.005 2.910 1.00 0.00 C ATOM 0 H ALA A 38 -4.127 -21.796 2.257 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.502 -21.013 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.622 -19.471 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.078 -19.372 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.130 -20.257 3.771 1.00 0.00 H new ATOM 600 N ASP A 39 -1.838 -23.189 3.642 1.00 0.00 N ATOM 601 CA ASP A 39 -1.144 -24.114 4.533 1.00 0.00 C ATOM 602 C ASP A 39 -0.113 -24.926 3.765 1.00 0.00 C ATOM 603 O ASP A 39 0.952 -25.257 4.284 1.00 0.00 O ATOM 604 CB ASP A 39 -2.150 -25.051 5.212 1.00 0.00 C ATOM 605 CG ASP A 39 -3.100 -24.319 6.134 1.00 0.00 C ATOM 606 OD1 ASP A 39 -3.996 -23.602 5.631 1.00 0.00 O ATOM 607 OD2 ASP A 39 -2.955 -24.449 7.361 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.817 -23.423 3.478 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.629 -23.533 5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.724 -25.576 4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.609 -25.807 5.781 1.00 0.00 H new ATOM 612 N GLN A 40 -0.440 -25.246 2.527 1.00 0.00 N ATOM 613 CA GLN A 40 0.449 -25.999 1.663 1.00 0.00 C ATOM 614 C GLN A 40 1.031 -25.094 0.586 1.00 0.00 C ATOM 615 O GLN A 40 1.424 -25.555 -0.489 1.00 0.00 O ATOM 616 CB GLN A 40 -0.295 -27.180 1.016 1.00 0.00 C ATOM 617 CG GLN A 40 -0.690 -28.287 1.992 1.00 0.00 C ATOM 618 CD GLN A 40 -1.818 -27.894 2.930 1.00 0.00 C ATOM 619 OE1 GLN A 40 -2.699 -27.107 2.574 1.00 0.00 O ATOM 620 NE2 GLN A 40 -1.792 -28.425 4.133 1.00 0.00 N ATOM 0 H GLN A 40 -1.327 -24.992 2.093 1.00 0.00 H new ATOM 0 HA GLN A 40 1.264 -26.394 2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.194 -26.804 0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.335 -27.608 0.236 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.989 -29.169 1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.182 -28.568 2.583 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.046 -29.072 4.389 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.518 -28.190 4.810 1.00 0.00 H new ATOM 629 N LEU A 41 1.101 -23.808 0.883 1.00 0.00 N ATOM 630 CA LEU A 41 1.626 -22.836 -0.058 1.00 0.00 C ATOM 631 C LEU A 41 3.038 -22.415 0.341 1.00 0.00 C ATOM 632 O LEU A 41 3.320 -22.192 1.521 1.00 0.00 O ATOM 633 CB LEU A 41 0.709 -21.618 -0.126 1.00 0.00 C ATOM 634 CG LEU A 41 1.034 -20.601 -1.212 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.936 -21.245 -2.585 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.100 -19.409 -1.115 1.00 0.00 C ATOM 0 H LEU A 41 0.799 -23.412 1.773 1.00 0.00 H new ATOM 0 HA LEU A 41 1.669 -23.297 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.314 -21.965 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.737 -21.112 0.839 1.00 0.00 H new ATOM 0 HG LEU A 41 2.056 -20.251 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.171 -20.506 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.643 -22.072 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.076 -21.619 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.344 -18.691 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.930 -19.743 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.214 -18.936 -0.140 1.00 0.00 H new ATOM 648 N ARG A 42 3.915 -22.305 -0.638 1.00 0.00 N ATOM 649 CA ARG A 42 5.302 -21.957 -0.390 1.00 0.00 C ATOM 650 C ARG A 42 5.601 -20.536 -0.837 1.00 0.00 C ATOM 651 O ARG A 42 5.142 -20.100 -1.895 1.00 0.00 O ATOM 652 CB ARG A 42 6.210 -22.906 -1.140 1.00 0.00 C ATOM 653 CG ARG A 42 7.669 -22.747 -0.799 1.00 0.00 C ATOM 654 CD ARG A 42 8.531 -23.205 -1.940 1.00 0.00 C ATOM 655 NE ARG A 42 8.146 -24.536 -2.428 1.00 0.00 N ATOM 656 CZ ARG A 42 9.010 -25.502 -2.760 1.00 0.00 C ATOM 657 NH1 ARG A 42 10.317 -25.317 -2.609 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 8.558 -26.654 -3.244 1.00 0.00 N ATOM 0 H ARG A 42 3.689 -22.453 -1.622 1.00 0.00 H new ATOM 0 HA ARG A 42 5.479 -22.033 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.906 -23.931 -0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.078 -22.751 -2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.883 -21.703 -0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.904 -23.324 0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.461 -22.486 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.573 -23.225 -1.621 1.00 0.00 H new ATOM 0 HE ARG A 42 7.150 -24.738 -2.520 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.668 -24.434 -2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.970 -26.058 -2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.555 -26.800 -3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.214 -27.393 -3.498 1.00 0.00 H new ATOM 672 N VAL A 43 6.381 -19.823 -0.042 1.00 0.00 N ATOM 673 CA VAL A 43 6.773 -18.471 -0.384 1.00 0.00 C ATOM 674 C VAL A 43 8.296 -18.350 -0.477 1.00 0.00 C ATOM 675 O VAL A 43 9.016 -18.585 0.495 1.00 0.00 O ATOM 676 CB VAL A 43 6.204 -17.421 0.619 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.689 -17.349 0.515 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.614 -17.747 2.053 1.00 0.00 C ATOM 0 H VAL A 43 6.754 -20.161 0.845 1.00 0.00 H new ATOM 0 HA VAL A 43 6.343 -18.255 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 43 6.624 -16.450 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.310 -16.611 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.407 -17.059 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.262 -18.325 0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.202 -16.997 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.232 -18.731 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.701 -17.746 2.130 1.00 0.00 H new ATOM 688 N ILE A 44 8.776 -18.004 -1.654 1.00 0.00 N ATOM 689 CA ILE A 44 10.201 -17.871 -1.897 1.00 0.00 C ATOM 690 C ILE A 44 10.528 -16.470 -2.388 1.00 0.00 C ATOM 691 O ILE A 44 9.822 -15.909 -3.223 1.00 0.00 O ATOM 692 CB ILE A 44 10.702 -18.911 -2.944 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.479 -20.343 -2.441 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.176 -18.689 -3.281 1.00 0.00 C ATOM 695 CD1 ILE A 44 11.226 -20.673 -1.161 1.00 0.00 C ATOM 0 H ILE A 44 8.193 -17.807 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 44 10.710 -18.057 -0.951 1.00 0.00 H new ATOM 0 HB ILE A 44 10.120 -18.770 -3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.413 -20.497 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.786 -21.042 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.497 -19.429 -4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.308 -17.689 -3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.775 -18.790 -2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.016 -21.703 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.297 -20.553 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.902 -20.000 -0.367 1.00 0.00 H new ATOM 707 N PHE A 45 11.577 -15.907 -1.854 1.00 0.00 N ATOM 708 CA PHE A 45 12.035 -14.612 -2.266 1.00 0.00 C ATOM 709 C PHE A 45 13.541 -14.561 -2.194 1.00 0.00 C ATOM 710 O PHE A 45 14.130 -14.899 -1.167 1.00 0.00 O ATOM 711 CB PHE A 45 11.420 -13.515 -1.398 1.00 0.00 C ATOM 712 CG PHE A 45 11.943 -12.149 -1.716 1.00 0.00 C ATOM 713 CD1 PHE A 45 11.620 -11.533 -2.910 1.00 0.00 C ATOM 714 CD2 PHE A 45 12.767 -11.483 -0.823 1.00 0.00 C ATOM 715 CE1 PHE A 45 12.109 -10.283 -3.211 1.00 0.00 C ATOM 716 CE2 PHE A 45 13.256 -10.230 -1.119 1.00 0.00 C ATOM 717 CZ PHE A 45 12.925 -9.630 -2.314 1.00 0.00 C ATOM 0 H PHE A 45 12.139 -16.336 -1.119 1.00 0.00 H new ATOM 0 HA PHE A 45 11.720 -14.440 -3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.338 -13.522 -1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.617 -13.737 -0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.976 -12.039 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.028 -11.951 0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.853 -9.814 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.897 -9.719 -0.416 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.306 -8.647 -2.548 1.00 0.00 H new ATOM 727 N ALA A 46 14.165 -14.176 -3.298 1.00 0.00 N ATOM 728 CA ALA A 46 15.615 -14.057 -3.383 1.00 0.00 C ATOM 729 C ALA A 46 16.300 -15.405 -3.157 1.00 0.00 C ATOM 730 O ALA A 46 17.458 -15.466 -2.739 1.00 0.00 O ATOM 731 CB ALA A 46 16.119 -13.018 -2.393 1.00 0.00 C ATOM 0 H ALA A 46 13.680 -13.937 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 46 15.868 -13.727 -4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.204 -12.940 -2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.669 -12.051 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.846 -13.317 -1.381 1.00 0.00 H new ATOM 737 N GLY A 47 15.577 -16.480 -3.438 1.00 0.00 N ATOM 738 CA GLY A 47 16.130 -17.812 -3.299 1.00 0.00 C ATOM 739 C GLY A 47 15.869 -18.437 -1.943 1.00 0.00 C ATOM 740 O GLY A 47 16.140 -19.623 -1.739 1.00 0.00 O ATOM 0 H GLY A 47 14.610 -16.452 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.709 -18.454 -4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.206 -17.770 -3.470 1.00 0.00 H new ATOM 744 N LYS A 48 15.344 -17.661 -1.014 1.00 0.00 N ATOM 745 CA LYS A 48 15.080 -18.171 0.320 1.00 0.00 C ATOM 746 C LYS A 48 13.614 -18.021 0.702 1.00 0.00 C ATOM 747 O LYS A 48 12.904 -17.179 0.157 1.00 0.00 O ATOM 748 CB LYS A 48 16.010 -17.500 1.365 1.00 0.00 C ATOM 749 CG LYS A 48 16.068 -15.966 1.306 1.00 0.00 C ATOM 750 CD LYS A 48 14.831 -15.313 1.911 1.00 0.00 C ATOM 751 CE LYS A 48 14.879 -13.794 1.780 1.00 0.00 C ATOM 752 NZ LYS A 48 16.018 -13.199 2.526 1.00 0.00 N1+ ATOM 0 H LYS A 48 15.093 -16.682 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 48 15.300 -19.239 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.682 -17.796 2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.019 -17.890 1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.955 -15.618 1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.172 -15.649 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.938 -15.694 1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.752 -15.586 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.957 -13.525 0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.945 -13.370 2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.924 -12.163 2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.017 -13.556 3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.911 -13.461 2.062 1.00 0.00 H new ATOM 766 N GLU A 49 13.169 -18.857 1.616 1.00 0.00 N ATOM 767 CA GLU A 49 11.805 -18.801 2.106 1.00 0.00 C ATOM 768 C GLU A 49 11.663 -17.654 3.098 1.00 0.00 C ATOM 769 O GLU A 49 12.566 -17.407 3.903 1.00 0.00 O ATOM 770 CB GLU A 49 11.433 -20.129 2.774 1.00 0.00 C ATOM 771 CG GLU A 49 10.031 -20.160 3.363 1.00 0.00 C ATOM 772 CD GLU A 49 9.766 -21.417 4.155 1.00 0.00 C ATOM 773 OE1 GLU A 49 10.504 -21.671 5.130 1.00 0.00 O ATOM 774 OE2 GLU A 49 8.809 -22.150 3.822 1.00 0.00 O1- ATOM 0 H GLU A 49 13.737 -19.591 2.039 1.00 0.00 H new ATOM 0 HA GLU A 49 11.129 -18.631 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.524 -20.930 2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.152 -20.338 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.892 -19.292 4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.300 -20.080 2.558 1.00 0.00 H new ATOM 781 N LEU A 50 10.550 -16.952 3.032 1.00 0.00 N ATOM 782 CA LEU A 50 10.301 -15.841 3.934 1.00 0.00 C ATOM 783 C LEU A 50 9.662 -16.327 5.217 1.00 0.00 C ATOM 784 O LEU A 50 8.733 -17.140 5.185 1.00 0.00 O ATOM 785 CB LEU A 50 9.392 -14.795 3.287 1.00 0.00 C ATOM 786 CG LEU A 50 9.944 -14.089 2.054 1.00 0.00 C ATOM 787 CD1 LEU A 50 8.958 -13.048 1.547 1.00 0.00 C ATOM 788 CD2 LEU A 50 11.291 -13.450 2.359 1.00 0.00 C ATOM 0 H LEU A 50 9.801 -17.130 2.363 1.00 0.00 H new ATOM 0 HA LEU A 50 11.264 -15.383 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.455 -15.279 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.153 -14.039 4.036 1.00 0.00 H new ATOM 0 HG LEU A 50 10.089 -14.832 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.370 -12.555 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.019 -13.534 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.778 -12.308 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.668 -12.951 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.174 -12.720 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.997 -14.220 2.670 1.00 0.00 H new ATOM 800 N ARG A 51 10.170 -15.848 6.345 1.00 0.00 N ATOM 801 CA ARG A 51 9.582 -16.179 7.629 1.00 0.00 C ATOM 802 C ARG A 51 8.155 -15.641 7.676 1.00 0.00 C ATOM 803 O ARG A 51 7.906 -14.495 7.304 1.00 0.00 O ATOM 804 CB ARG A 51 10.418 -15.619 8.803 1.00 0.00 C ATOM 805 CG ARG A 51 10.511 -14.098 8.862 1.00 0.00 C ATOM 806 CD ARG A 51 11.755 -13.572 8.162 1.00 0.00 C ATOM 807 NE ARG A 51 12.985 -14.032 8.814 1.00 0.00 N ATOM 808 CZ ARG A 51 14.220 -13.739 8.391 1.00 0.00 C ATOM 809 NH1 ARG A 51 14.403 -12.989 7.311 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 15.273 -14.198 9.052 1.00 0.00 N ATOM 0 H ARG A 51 10.983 -15.233 6.394 1.00 0.00 H new ATOM 0 HA ARG A 51 9.570 -17.263 7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.989 -15.978 9.738 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.427 -16.027 8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.625 -13.663 8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.518 -13.776 9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.752 -13.898 7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.734 -12.482 8.154 1.00 0.00 H new ATOM 0 HE ARG A 51 12.893 -14.615 9.646 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.598 -12.631 6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.348 -12.771 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.142 -14.775 9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.215 -13.975 8.730 1.00 0.00 H new ATOM 824 N ASN A 52 7.229 -16.465 8.120 1.00 0.00 N ATOM 825 CA ASN A 52 5.817 -16.094 8.128 1.00 0.00 C ATOM 826 C ASN A 52 5.523 -14.932 9.086 1.00 0.00 C ATOM 827 O ASN A 52 4.608 -14.137 8.845 1.00 0.00 O ATOM 828 CB ASN A 52 4.927 -17.311 8.452 1.00 0.00 C ATOM 829 CG ASN A 52 5.102 -17.834 9.868 1.00 0.00 C ATOM 830 OD1 ASN A 52 4.414 -17.400 10.793 1.00 0.00 O ATOM 831 ND2 ASN A 52 5.999 -18.785 10.043 1.00 0.00 N ATOM 0 H ASN A 52 7.422 -17.399 8.482 1.00 0.00 H new ATOM 0 HA ASN A 52 5.576 -15.747 7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.883 -17.037 8.301 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.151 -18.112 7.748 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.142 -19.187 10.969 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.550 -19.118 9.252 1.00 0.00 H new ATOM 838 N ASP A 53 6.310 -14.810 10.143 1.00 0.00 N ATOM 839 CA ASP A 53 6.087 -13.764 11.126 1.00 0.00 C ATOM 840 C ASP A 53 7.074 -12.622 10.946 1.00 0.00 C ATOM 841 O ASP A 53 8.034 -12.471 11.708 1.00 0.00 O ATOM 842 CB ASP A 53 6.144 -14.316 12.553 1.00 0.00 C ATOM 843 CG ASP A 53 5.780 -13.270 13.594 1.00 0.00 C ATOM 844 OD1 ASP A 53 4.657 -12.725 13.529 1.00 0.00 O ATOM 845 OD2 ASP A 53 6.605 -13.003 14.494 1.00 0.00 O1- ATOM 0 H ASP A 53 7.104 -15.419 10.341 1.00 0.00 H new ATOM 0 HA ASP A 53 5.084 -13.371 10.963 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.463 -15.163 12.639 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.147 -14.692 12.755 1.00 0.00 H new ATOM 850 N TRP A 54 6.856 -11.858 9.902 1.00 0.00 N ATOM 851 CA TRP A 54 7.663 -10.684 9.605 1.00 0.00 C ATOM 852 C TRP A 54 6.870 -9.732 8.721 1.00 0.00 C ATOM 853 O TRP A 54 6.014 -10.168 7.951 1.00 0.00 O ATOM 854 CB TRP A 54 8.972 -11.087 8.919 1.00 0.00 C ATOM 855 CG TRP A 54 9.939 -9.953 8.742 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.426 -9.467 7.564 1.00 0.00 C ATOM 857 CD2 TRP A 54 10.526 -9.159 9.777 1.00 0.00 C ATOM 858 NE1 TRP A 54 11.287 -8.424 7.806 1.00 0.00 N ATOM 859 CE2 TRP A 54 11.362 -8.215 9.158 1.00 0.00 C ATOM 860 CE3 TRP A 54 10.426 -9.157 11.171 1.00 0.00 C ATOM 861 CZ2 TRP A 54 12.093 -7.279 9.882 1.00 0.00 C ATOM 862 CZ3 TRP A 54 11.150 -8.226 11.889 1.00 0.00 C ATOM 863 CH2 TRP A 54 11.974 -7.299 11.242 1.00 0.00 C ATOM 0 H TRP A 54 6.111 -12.029 9.227 1.00 0.00 H new ATOM 0 HA TRP A 54 7.913 -10.181 10.539 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.451 -11.872 9.504 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.743 -11.512 7.942 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.172 -9.846 6.585 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.789 -7.892 7.095 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.794 -9.871 11.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.731 -6.563 9.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 11.079 -8.213 12.967 1.00 0.00 H new ATOM 0 HH2 TRP A 54 12.528 -6.583 11.831 1.00 0.00 H new ATOM 874 N THR A 55 7.148 -8.442 8.836 1.00 0.00 N ATOM 875 CA THR A 55 6.441 -7.438 8.064 1.00 0.00 C ATOM 876 C THR A 55 6.947 -7.365 6.625 1.00 0.00 C ATOM 877 O THR A 55 8.155 -7.427 6.360 1.00 0.00 O ATOM 878 CB THR A 55 6.521 -6.034 8.723 1.00 0.00 C ATOM 879 OG1 THR A 55 5.941 -5.051 7.851 1.00 0.00 O ATOM 880 CG2 THR A 55 7.962 -5.650 9.030 1.00 0.00 C ATOM 0 H THR A 55 7.862 -8.067 9.460 1.00 0.00 H new ATOM 0 HA THR A 55 5.397 -7.750 8.047 1.00 0.00 H new ATOM 0 HB THR A 55 5.966 -6.071 9.660 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.333 -4.478 8.363 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.985 -4.662 9.491 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.395 -6.380 9.714 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.539 -5.633 8.105 1.00 0.00 H new ATOM 888 N VAL A 56 6.012 -7.227 5.707 1.00 0.00 N ATOM 889 CA VAL A 56 6.314 -7.134 4.294 1.00 0.00 C ATOM 890 C VAL A 56 6.889 -5.751 3.955 1.00 0.00 C ATOM 891 O VAL A 56 7.605 -5.586 2.962 1.00 0.00 O ATOM 892 CB VAL A 56 5.033 -7.388 3.449 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.028 -6.264 3.632 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.363 -7.578 1.982 1.00 0.00 C ATOM 0 H VAL A 56 5.016 -7.176 5.922 1.00 0.00 H new ATOM 0 HA VAL A 56 7.057 -7.895 4.055 1.00 0.00 H new ATOM 0 HB VAL A 56 4.582 -8.312 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.142 -6.467 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.745 -6.196 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.474 -5.322 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.444 -7.753 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.855 -6.683 1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.027 -8.434 1.866 1.00 0.00 H new ATOM 904 N GLN A 57 6.601 -4.769 4.809 1.00 0.00 N ATOM 905 CA GLN A 57 7.030 -3.399 4.567 1.00 0.00 C ATOM 906 C GLN A 57 8.543 -3.269 4.671 1.00 0.00 C ATOM 907 O GLN A 57 9.181 -2.620 3.838 1.00 0.00 O ATOM 908 CB GLN A 57 6.356 -2.442 5.549 1.00 0.00 C ATOM 909 CG GLN A 57 6.530 -0.972 5.188 1.00 0.00 C ATOM 910 CD GLN A 57 5.856 -0.618 3.875 1.00 0.00 C ATOM 911 OE1 GLN A 57 4.619 -0.170 3.949 1.00 0.00 O flip ATOM 912 NE2 GLN A 57 6.448 -0.734 2.808 1.00 0.00 N flip ATOM 0 H GLN A 57 6.073 -4.900 5.672 1.00 0.00 H new ATOM 0 HA GLN A 57 6.731 -3.134 3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.292 -2.672 5.595 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.762 -2.613 6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.117 -0.353 5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.593 -0.740 5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.406 -1.085 2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.983 -0.480 1.936 1.00 0.00 H new ATOM 921 N ASN A 58 9.120 -3.911 5.676 1.00 0.00 N ATOM 922 CA ASN A 58 10.563 -3.836 5.903 1.00 0.00 C ATOM 923 C ASN A 58 11.327 -4.686 4.882 1.00 0.00 C ATOM 924 O ASN A 58 12.555 -4.663 4.830 1.00 0.00 O ATOM 925 CB ASN A 58 10.907 -4.290 7.330 1.00 0.00 C ATOM 926 CG ASN A 58 12.339 -3.957 7.737 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.981 -4.713 8.462 1.00 0.00 O ATOM 928 ND2 ASN A 58 12.841 -2.816 7.295 1.00 0.00 N ATOM 0 H ASN A 58 8.616 -4.489 6.348 1.00 0.00 H new ATOM 0 HA ASN A 58 10.868 -2.797 5.779 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.218 -3.818 8.031 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.755 -5.366 7.409 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.788 -2.541 7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.281 -2.211 6.694 1.00 0.00 H new ATOM 935 N CYS A 59 10.598 -5.433 4.076 1.00 0.00 N ATOM 936 CA CYS A 59 11.213 -6.265 3.058 1.00 0.00 C ATOM 937 C CYS A 59 11.399 -5.477 1.755 1.00 0.00 C ATOM 938 O CYS A 59 12.164 -5.882 0.882 1.00 0.00 O ATOM 939 CB CYS A 59 10.376 -7.519 2.820 1.00 0.00 C ATOM 940 SG CYS A 59 10.151 -8.551 4.289 1.00 0.00 S ATOM 0 H CYS A 59 9.580 -5.482 4.106 1.00 0.00 H new ATOM 0 HA CYS A 59 12.198 -6.572 3.410 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.397 -7.223 2.445 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.849 -8.115 2.040 1.00 0.00 H new ATOM 0 HG CYS A 59 9.313 -7.975 5.099 1.00 0.00 H new ATOM 946 N ASP A 60 10.684 -4.344 1.647 1.00 0.00 N ATOM 947 CA ASP A 60 10.782 -3.426 0.490 1.00 0.00 C ATOM 948 C ASP A 60 10.657 -4.143 -0.851 1.00 0.00 C ATOM 949 O ASP A 60 11.483 -3.950 -1.741 1.00 0.00 O ATOM 950 CB ASP A 60 12.092 -2.627 0.528 1.00 0.00 C ATOM 951 CG ASP A 60 12.105 -1.566 1.603 1.00 0.00 C ATOM 952 OD1 ASP A 60 12.652 -1.819 2.688 1.00 0.00 O ATOM 953 OD2 ASP A 60 11.568 -0.466 1.365 1.00 0.00 O1- ATOM 0 H ASP A 60 10.021 -4.035 2.358 1.00 0.00 H new ATOM 0 HA ASP A 60 9.937 -2.743 0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.924 -3.312 0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.252 -2.156 -0.442 1.00 0.00 H new ATOM 958 N LEU A 61 9.608 -4.944 -1.008 1.00 0.00 N ATOM 959 CA LEU A 61 9.387 -5.682 -2.261 1.00 0.00 C ATOM 960 C LEU A 61 9.215 -4.732 -3.439 1.00 0.00 C ATOM 961 O LEU A 61 9.452 -5.102 -4.579 1.00 0.00 O ATOM 962 CB LEU A 61 8.166 -6.614 -2.164 1.00 0.00 C ATOM 963 CG LEU A 61 8.306 -7.851 -1.267 1.00 0.00 C ATOM 964 CD1 LEU A 61 9.556 -8.635 -1.615 1.00 0.00 C ATOM 965 CD2 LEU A 61 8.305 -7.467 0.193 1.00 0.00 C ATOM 0 H LEU A 61 8.898 -5.103 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 61 10.275 -6.292 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.320 -6.028 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.916 -6.951 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 61 7.443 -8.491 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.632 -9.507 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.504 -8.961 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.433 -8.002 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.405 -8.363 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.140 -6.795 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.369 -6.965 0.436 1.00 0.00 H new ATOM 977 N ASP A 62 8.797 -3.507 -3.149 1.00 0.00 N ATOM 978 CA ASP A 62 8.625 -2.486 -4.180 1.00 0.00 C ATOM 979 C ASP A 62 9.965 -2.138 -4.823 1.00 0.00 C ATOM 980 O ASP A 62 10.034 -1.819 -6.010 1.00 0.00 O ATOM 981 CB ASP A 62 7.987 -1.230 -3.577 1.00 0.00 C ATOM 982 CG ASP A 62 7.833 -0.106 -4.579 1.00 0.00 C ATOM 983 OD1 ASP A 62 7.025 -0.245 -5.511 1.00 0.00 O ATOM 984 OD2 ASP A 62 8.508 0.942 -4.425 1.00 0.00 O1- ATOM 0 H ASP A 62 8.569 -3.193 -2.206 1.00 0.00 H new ATOM 0 HA ASP A 62 7.966 -2.883 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.008 -1.485 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.597 -0.884 -2.742 1.00 0.00 H new ATOM 989 N GLN A 63 11.029 -2.221 -4.036 1.00 0.00 N ATOM 990 CA GLN A 63 12.361 -1.899 -4.524 1.00 0.00 C ATOM 991 C GLN A 63 13.141 -3.165 -4.883 1.00 0.00 C ATOM 992 O GLN A 63 13.891 -3.184 -5.856 1.00 0.00 O ATOM 993 CB GLN A 63 13.140 -1.100 -3.481 1.00 0.00 C ATOM 994 CG GLN A 63 14.475 -0.579 -3.988 1.00 0.00 C ATOM 995 CD GLN A 63 15.313 0.045 -2.896 1.00 0.00 C ATOM 996 OE1 GLN A 63 15.201 1.236 -2.615 1.00 0.00 O ATOM 997 NE2 GLN A 63 16.168 -0.751 -2.285 1.00 0.00 N ATOM 0 H GLN A 63 10.995 -2.508 -3.058 1.00 0.00 H new ATOM 0 HA GLN A 63 12.241 -1.295 -5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.532 -0.258 -3.152 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.313 -1.729 -2.608 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.031 -1.399 -4.443 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.298 0.159 -4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.228 -1.734 -2.550 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.769 -0.384 -1.547 1.00 0.00 H new ATOM 1006 N GLN A 64 12.959 -4.216 -4.096 1.00 0.00 N ATOM 1007 CA GLN A 64 13.685 -5.466 -4.307 1.00 0.00 C ATOM 1008 C GLN A 64 13.069 -6.277 -5.454 1.00 0.00 C ATOM 1009 O GLN A 64 12.347 -5.737 -6.296 1.00 0.00 O ATOM 1010 CB GLN A 64 13.694 -6.305 -3.024 1.00 0.00 C ATOM 1011 CG GLN A 64 14.141 -5.552 -1.779 1.00 0.00 C ATOM 1012 CD GLN A 64 15.533 -4.963 -1.891 1.00 0.00 C ATOM 1013 OE1 GLN A 64 16.404 -5.494 -2.584 1.00 0.00 O ATOM 1014 NE2 GLN A 64 15.751 -3.861 -1.207 1.00 0.00 N ATOM 0 H GLN A 64 12.315 -4.231 -3.305 1.00 0.00 H new ATOM 0 HA GLN A 64 14.711 -5.213 -4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.691 -6.698 -2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 64 14.351 -7.162 -3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 64 13.432 -4.750 -1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.110 -6.229 -0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.004 -3.453 -0.645 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.667 -3.414 -1.238 1.00 0.00 H new HETATM 1023 N SEP A 65 13.365 -7.569 -5.480 1.00 0.00 N HETATM 1024 CA SEP A 65 12.865 -8.462 -6.515 1.00 0.00 C HETATM 1025 CB SEP A 65 13.669 -9.761 -6.505 1.00 0.00 C HETATM 1026 OG SEP A 65 15.050 -9.501 -6.717 1.00 0.00 O HETATM 1027 C SEP A 65 11.372 -8.768 -6.330 1.00 0.00 C HETATM 1028 O SEP A 65 10.716 -8.243 -5.423 1.00 0.00 O HETATM 1029 P SEP A 65 15.775 -10.084 -7.994 1.00 0.00 P HETATM 1030 O1P SEP A 65 14.887 -10.791 -8.915 1.00 0.00 O HETATM 1031 O2P SEP A 65 16.665 -9.133 -8.654 1.00 0.00 O HETATM 1032 O3P SEP A 65 16.742 -11.217 -7.428 1.00 0.00 O HETATM 0 HB3 SEP A 65 13.533 -10.271 -5.551 1.00 0.00 H new HETATM 0 HB2 SEP A 65 13.297 -10.430 -7.281 1.00 0.00 H new HETATM 0 HA SEP A 65 12.983 -7.962 -7.476 1.00 0.00 H new HETATM 0 H SEP A 65 14.142 -7.860 -4.887 1.00 0.00 H new ATOM 1037 N ILE A 66 10.846 -9.620 -7.194 1.00 0.00 N ATOM 1038 CA ILE A 66 9.451 -10.017 -7.136 1.00 0.00 C ATOM 1039 C ILE A 66 9.306 -11.263 -6.259 1.00 0.00 C ATOM 1040 O ILE A 66 10.234 -12.070 -6.164 1.00 0.00 O ATOM 1041 CB ILE A 66 8.894 -10.296 -8.567 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.397 -10.597 -8.532 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.642 -11.442 -9.221 1.00 0.00 C ATOM 1044 CD1 ILE A 66 6.772 -10.738 -9.901 1.00 0.00 C ATOM 0 H ILE A 66 11.372 -10.054 -7.952 1.00 0.00 H new ATOM 0 HA ILE A 66 8.873 -9.201 -6.701 1.00 0.00 H new ATOM 0 HB ILE A 66 9.046 -9.394 -9.160 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.234 -11.518 -7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.888 -9.800 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.237 -11.619 -10.217 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.699 -11.189 -9.299 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.528 -12.343 -8.618 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.708 -10.951 -9.795 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.903 -9.810 -10.458 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.254 -11.555 -10.439 1.00 0.00 H new ATOM 1056 N VAL A 67 8.159 -11.409 -5.613 1.00 0.00 N ATOM 1057 CA VAL A 67 7.922 -12.540 -4.725 1.00 0.00 C ATOM 1058 C VAL A 67 7.526 -13.778 -5.522 1.00 0.00 C ATOM 1059 O VAL A 67 6.625 -13.723 -6.366 1.00 0.00 O ATOM 1060 CB VAL A 67 6.812 -12.229 -3.692 1.00 0.00 C ATOM 1061 CG1 VAL A 67 6.672 -13.365 -2.687 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.088 -10.916 -2.981 1.00 0.00 C ATOM 0 H VAL A 67 7.377 -10.759 -5.686 1.00 0.00 H new ATOM 0 HA VAL A 67 8.854 -12.729 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 67 5.869 -12.133 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.886 -13.123 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.415 -14.285 -3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.615 -13.501 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.295 -10.719 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.044 -10.978 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.124 -10.107 -3.711 1.00 0.00 H new ATOM 1072 N HIS A 68 8.197 -14.885 -5.259 1.00 0.00 N ATOM 1073 CA HIS A 68 7.915 -16.139 -5.933 1.00 0.00 C ATOM 1074 C HIS A 68 7.074 -17.035 -5.036 1.00 0.00 C ATOM 1075 O HIS A 68 7.558 -17.554 -4.035 1.00 0.00 O ATOM 1076 CB HIS A 68 9.220 -16.870 -6.309 1.00 0.00 C ATOM 1077 CG HIS A 68 10.038 -16.205 -7.384 1.00 0.00 C ATOM 1078 ND1 HIS A 68 10.662 -16.946 -8.360 1.00 0.00 N ATOM 1079 CD2 HIS A 68 10.328 -14.893 -7.574 1.00 0.00 C ATOM 1080 CE1 HIS A 68 11.314 -16.078 -9.114 1.00 0.00 C ATOM 1081 NE2 HIS A 68 11.141 -14.827 -8.678 1.00 0.00 N ATOM 0 H HIS A 68 8.951 -14.940 -4.574 1.00 0.00 H new ATOM 0 HA HIS A 68 7.365 -15.915 -6.847 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.835 -16.967 -5.414 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.971 -17.880 -6.636 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.986 -14.063 -6.974 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.911 -16.346 -9.973 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.538 -13.982 -9.088 1.00 0.00 H new ATOM 1089 N ILE A 69 5.822 -17.206 -5.381 1.00 0.00 N ATOM 1090 CA ILE A 69 4.945 -18.049 -4.598 1.00 0.00 C ATOM 1091 C ILE A 69 4.491 -19.234 -5.422 1.00 0.00 C ATOM 1092 O ILE A 69 3.944 -19.070 -6.504 1.00 0.00 O ATOM 1093 CB ILE A 69 3.714 -17.271 -4.069 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.160 -16.167 -3.103 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.732 -18.213 -3.388 1.00 0.00 C ATOM 1096 CD1 ILE A 69 3.016 -15.478 -2.385 1.00 0.00 C ATOM 0 H ILE A 69 5.386 -16.775 -6.196 1.00 0.00 H new ATOM 0 HA ILE A 69 5.511 -18.399 -3.735 1.00 0.00 H new ATOM 0 HB ILE A 69 3.207 -16.809 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.834 -16.597 -2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.729 -15.421 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.876 -17.645 -3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.393 -18.964 -4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.223 -18.706 -2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.413 -14.711 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.352 -15.017 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.459 -16.211 -1.801 1.00 0.00 H new ATOM 1108 N VAL A 70 4.725 -20.422 -4.915 1.00 0.00 N ATOM 1109 CA VAL A 70 4.363 -21.626 -5.625 1.00 0.00 C ATOM 1110 C VAL A 70 3.696 -22.621 -4.681 1.00 0.00 C ATOM 1111 O VAL A 70 3.987 -22.645 -3.487 1.00 0.00 O ATOM 1112 CB VAL A 70 5.603 -22.272 -6.309 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.605 -22.781 -5.281 1.00 0.00 C ATOM 1114 CG2 VAL A 70 5.189 -23.379 -7.271 1.00 0.00 C ATOM 0 H VAL A 70 5.167 -20.580 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 70 3.653 -21.354 -6.406 1.00 0.00 H new ATOM 0 HB VAL A 70 6.097 -21.494 -6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.458 -23.226 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.946 -21.950 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.129 -23.532 -4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.077 -23.811 -7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.651 -24.154 -6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.542 -22.966 -8.045 1.00 0.00 H new ATOM 1124 N GLN A 71 2.787 -23.411 -5.211 1.00 0.00 N ATOM 1125 CA GLN A 71 2.074 -24.392 -4.418 1.00 0.00 C ATOM 1126 C GLN A 71 2.695 -25.768 -4.594 1.00 0.00 C ATOM 1127 O GLN A 71 3.096 -26.140 -5.701 1.00 0.00 O ATOM 1128 CB GLN A 71 0.601 -24.441 -4.843 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.245 -25.428 -4.045 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.605 -25.686 -4.673 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.135 -24.703 -5.375 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 -2.169 -26.767 -4.530 1.00 0.00 N flip ATOM 0 H GLN A 71 2.522 -23.393 -6.196 1.00 0.00 H new ATOM 0 HA GLN A 71 2.141 -24.102 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.171 -23.445 -4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.547 -24.704 -5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.293 -26.372 -3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.384 -25.045 -3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.728 -27.504 -3.980 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.079 -26.928 -4.962 1.00 0.00 H new ATOM 1141 N ARG A 72 2.804 -26.508 -3.507 1.00 0.00 N ATOM 1142 CA ARG A 72 3.274 -27.875 -3.565 1.00 0.00 C ATOM 1143 C ARG A 72 2.112 -28.819 -3.293 1.00 0.00 C ATOM 1144 O ARG A 72 1.748 -29.053 -2.137 1.00 0.00 O ATOM 1145 CB ARG A 72 4.412 -28.126 -2.562 1.00 0.00 C ATOM 1146 CG ARG A 72 4.900 -29.570 -2.536 1.00 0.00 C ATOM 1147 CD ARG A 72 5.439 -30.006 -3.891 1.00 0.00 C ATOM 1148 NE ARG A 72 5.638 -31.454 -3.957 1.00 0.00 N ATOM 1149 CZ ARG A 72 5.903 -32.128 -5.079 1.00 0.00 C ATOM 1150 NH1 ARG A 72 6.068 -31.476 -6.225 1.00 0.00 N1+ ATOM 1151 NH2 ARG A 72 6.018 -33.452 -5.048 1.00 0.00 N ATOM 0 H ARG A 72 2.571 -26.181 -2.569 1.00 0.00 H new ATOM 0 HA ARG A 72 3.673 -28.060 -4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.250 -27.473 -2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.072 -27.849 -1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.680 -29.677 -1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.081 -30.226 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.746 -29.698 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.385 -29.500 -4.086 1.00 0.00 H new ATOM 0 HE ARG A 72 5.570 -31.984 -3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.992 -30.459 -6.249 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.270 -31.992 -7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.904 -33.953 -4.167 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.220 -33.967 -5.905 1.00 0.00 H new ATOM 1165 N PRO A 73 1.487 -29.344 -4.353 1.00 0.00 N ATOM 1166 CA PRO A 73 0.358 -30.245 -4.222 1.00 0.00 C ATOM 1167 C PRO A 73 0.777 -31.607 -3.689 1.00 0.00 C ATOM 1168 O PRO A 73 1.248 -32.466 -4.440 1.00 0.00 O ATOM 1169 CB PRO A 73 -0.190 -30.377 -5.656 1.00 0.00 C ATOM 1170 CG PRO A 73 0.521 -29.332 -6.451 1.00 0.00 C ATOM 1171 CD PRO A 73 1.826 -29.101 -5.757 1.00 0.00 C ATOM 0 HA PRO A 73 -0.379 -29.865 -3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.002 -31.372 -6.058 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.269 -30.222 -5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.678 -29.663 -7.478 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.063 -28.413 -6.498 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.600 -29.782 -6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.196 -28.088 -5.915 1.00 0.00 H new ATOM 1179 N TRP A 74 0.642 -31.788 -2.384 1.00 0.00 N ATOM 1180 CA TRP A 74 0.947 -33.066 -1.764 1.00 0.00 C ATOM 1181 C TRP A 74 -0.110 -34.091 -2.157 1.00 0.00 C ATOM 1182 O TRP A 74 0.111 -35.295 -2.094 1.00 0.00 O ATOM 1183 CB TRP A 74 1.068 -32.934 -0.232 1.00 0.00 C ATOM 1184 CG TRP A 74 -0.206 -32.569 0.479 1.00 0.00 C ATOM 1185 CD1 TRP A 74 -1.046 -31.533 0.193 1.00 0.00 C ATOM 1186 CD2 TRP A 74 -0.763 -33.234 1.616 1.00 0.00 C ATOM 1187 NE1 TRP A 74 -2.100 -31.523 1.074 1.00 0.00 N ATOM 1188 CE2 TRP A 74 -1.945 -32.557 1.961 1.00 0.00 C ATOM 1189 CE3 TRP A 74 -0.377 -34.343 2.373 1.00 0.00 C ATOM 1190 CZ2 TRP A 74 -2.743 -32.949 3.029 1.00 0.00 C ATOM 1191 CZ3 TRP A 74 -1.170 -34.730 3.435 1.00 0.00 C ATOM 1192 CH2 TRP A 74 -2.338 -34.036 3.753 1.00 0.00 C ATOM 0 H TRP A 74 0.324 -31.067 -1.736 1.00 0.00 H new ATOM 0 HA TRP A 74 1.916 -33.410 -2.126 1.00 0.00 H new ATOM 0 HB2 TRP A 74 1.433 -33.879 0.171 1.00 0.00 H new ATOM 0 HB3 TRP A 74 1.821 -32.179 -0.006 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -0.903 -30.824 -0.609 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -2.871 -30.856 1.069 1.00 0.00 H new ATOM 0 HE3 TRP A 74 0.524 -34.887 2.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -3.648 -32.415 3.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -0.881 -35.584 4.030 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.936 -34.365 4.590 1.00 0.00 H new ATOM 1203 N ARG A 75 -1.256 -33.579 -2.574 1.00 0.00 N ATOM 1204 CA ARG A 75 -2.344 -34.386 -3.071 1.00 0.00 C ATOM 1205 C ARG A 75 -2.690 -33.923 -4.475 1.00 0.00 C ATOM 1206 O ARG A 75 -3.374 -32.916 -4.652 1.00 0.00 O ATOM 1207 CB ARG A 75 -3.581 -34.260 -2.173 1.00 0.00 C ATOM 1208 CG ARG A 75 -3.449 -34.914 -0.810 1.00 0.00 C ATOM 1209 CD ARG A 75 -4.723 -34.733 0.000 1.00 0.00 C ATOM 1210 NE ARG A 75 -4.663 -35.412 1.292 1.00 0.00 N ATOM 1211 CZ ARG A 75 -5.380 -35.060 2.362 1.00 0.00 C ATOM 1212 NH1 ARG A 75 -6.203 -34.017 2.306 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 75 -5.269 -35.752 3.488 1.00 0.00 N ATOM 0 H ARG A 75 -1.454 -32.578 -2.575 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.034 -35.431 -3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.804 -33.202 -2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.434 -34.700 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.237 -35.976 -0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.606 -34.479 -0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.901 -33.669 0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.570 -35.116 -0.570 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.031 -36.208 1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.289 -33.481 1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.748 -33.753 3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.637 -36.551 3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.816 -35.485 4.307 1.00 0.00 H new ATOM 1227 N LYS A 76 -2.187 -34.621 -5.462 1.00 0.00 N ATOM 1228 CA LYS A 76 -2.447 -34.269 -6.844 1.00 0.00 C ATOM 1229 C LYS A 76 -2.844 -35.480 -7.659 1.00 0.00 C ATOM 1230 O LYS A 76 -3.755 -35.357 -8.490 1.00 0.00 O ATOM 1231 CB LYS A 76 -1.256 -33.507 -7.478 1.00 0.00 C ATOM 1232 CG LYS A 76 0.141 -34.077 -7.182 1.00 0.00 C ATOM 1233 CD LYS A 76 0.450 -35.355 -7.964 1.00 0.00 C ATOM 1234 CE LYS A 76 0.405 -35.137 -9.476 1.00 0.00 C ATOM 1235 NZ LYS A 76 1.285 -34.020 -9.913 1.00 0.00 N1+ ATOM 1236 OXT LYS A 76 -2.272 -36.566 -7.435 1.00 0.00 O ATOM 0 H LYS A 76 -1.592 -35.440 -5.338 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.296 -33.586 -6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.397 -33.486 -8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.286 -32.474 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.891 -33.323 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.223 -34.283 -6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.437 -35.721 -7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.267 -36.128 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.707 -36.054 -9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.621 -34.929 -9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.354 -34.018 -10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.884 -33.116 -9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.233 -34.144 -9.504 1.00 0.00 H new TER 1250 LYS A 76