USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 656 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 81 THR OG1 : rot -59:sc= 0.764 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.218 USER MOD Set 1.3: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 165:sc= -0.0605 (180deg=-0.356) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 133:sc= 0.496 USER MOD Single : A 18 THR OG1 : rot -180:sc= 1.34 USER MOD Single : A 19 SER OG : rot -42:sc= 0.0842 USER MOD Single : A 22 ASN : amide:sc= -2.99! C(o=-3!,f=-3.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -4.44! K(o=-4.4!,f=-2.2) USER MOD Single : A 28 TYR OH : rot 165:sc= -0.166 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -3:sc= -0.541 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 41 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.65) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.576 K(o=-0.58,f=-2.8!) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 173:sc= -0.258 (180deg=-0.263) USER MOD Single : A 91 ASN : amide:sc= -3.68 K(o=-3.7,f=-7.1!) USER MOD Single : A 112 GLN : amide:sc= -0.0314 K(o=-0.031,f=-1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -3.603 3.326 8.303 1.00 0.00 N ATOM 100 CA LYS A 10 -3.608 1.874 8.172 1.00 0.00 C ATOM 101 C LYS A 10 -2.185 1.331 8.081 1.00 0.00 C ATOM 102 O LYS A 10 -1.260 2.051 7.707 1.00 0.00 O ATOM 103 CB LYS A 10 -4.405 1.456 6.934 1.00 0.00 C ATOM 104 CG LYS A 10 -4.896 0.020 6.983 1.00 0.00 C ATOM 105 CD LYS A 10 -5.946 -0.248 5.918 1.00 0.00 C ATOM 106 CE LYS A 10 -6.092 -1.736 5.640 1.00 0.00 C ATOM 107 NZ LYS A 10 -6.854 -2.429 6.716 1.00 0.00 N ATOM 0 HA LYS A 10 -4.082 1.455 9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.262 2.120 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.782 1.588 6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.054 -0.658 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.314 -0.189 7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.905 0.159 6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.673 0.270 4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.599 -1.879 4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.104 -2.187 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.932 -3.441 6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.357 -2.314 7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.806 -2.016 6.788 1.00 0.00 H new ATOM 121 N GLU A 11 -2.020 0.058 8.424 1.00 0.00 N ATOM 122 CA GLU A 11 -0.709 -0.580 8.381 1.00 0.00 C ATOM 123 C GLU A 11 -0.844 -2.100 8.363 1.00 0.00 C ATOM 124 O GLU A 11 -1.874 -2.647 8.755 1.00 0.00 O ATOM 125 CB GLU A 11 0.134 -0.146 9.581 1.00 0.00 C ATOM 126 CG GLU A 11 -0.461 -0.548 10.920 1.00 0.00 C ATOM 127 CD GLU A 11 0.019 0.331 12.059 1.00 0.00 C ATOM 128 OE1 GLU A 11 -0.234 1.553 12.011 1.00 0.00 O ATOM 129 OE2 GLU A 11 0.647 -0.202 12.997 1.00 0.00 O ATOM 0 H GLU A 11 -2.776 -0.552 8.734 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.211 -0.266 7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.130 -0.580 9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.255 0.937 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.548 -0.497 10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.201 -1.585 11.132 1.00 0.00 H new ATOM 136 N GLY A 12 0.204 -2.777 7.904 1.00 0.00 N ATOM 137 CA GLY A 12 0.183 -4.226 7.842 1.00 0.00 C ATOM 138 C GLY A 12 1.200 -4.780 6.865 1.00 0.00 C ATOM 139 O GLY A 12 1.941 -4.025 6.235 1.00 0.00 O ATOM 0 H GLY A 12 1.068 -2.347 7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.379 -4.632 8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.813 -4.560 7.552 1.00 0.00 H new ATOM 143 N TRP A 13 1.237 -6.102 6.738 1.00 0.00 N ATOM 144 CA TRP A 13 2.173 -6.756 5.830 1.00 0.00 C ATOM 145 C TRP A 13 1.522 -7.025 4.478 1.00 0.00 C ATOM 146 O TRP A 13 0.503 -7.711 4.395 1.00 0.00 O ATOM 147 CB TRP A 13 2.673 -8.067 6.439 1.00 0.00 C ATOM 148 CG TRP A 13 3.271 -7.898 7.803 1.00 0.00 C ATOM 149 CD1 TRP A 13 2.620 -7.987 9.000 1.00 0.00 C ATOM 150 CD2 TRP A 13 4.640 -7.609 8.109 1.00 0.00 C ATOM 151 NE1 TRP A 13 3.502 -7.771 10.032 1.00 0.00 N ATOM 152 CE2 TRP A 13 4.747 -7.538 9.511 1.00 0.00 C ATOM 153 CE3 TRP A 13 5.785 -7.406 7.334 1.00 0.00 C ATOM 154 CZ2 TRP A 13 5.954 -7.271 10.153 1.00 0.00 C ATOM 155 CZ3 TRP A 13 6.982 -7.141 7.972 1.00 0.00 C ATOM 156 CH2 TRP A 13 7.059 -7.076 9.370 1.00 0.00 C ATOM 0 H TRP A 13 0.631 -6.741 7.252 1.00 0.00 H new ATOM 0 HA TRP A 13 3.020 -6.087 5.677 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.843 -8.771 6.499 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.418 -8.507 5.776 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.567 -8.196 9.118 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.267 -7.782 11.025 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.735 -7.455 6.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.015 -7.220 11.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.873 -6.981 7.383 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.010 -6.868 9.839 1.00 0.00 H new ATOM 167 N MET A 14 2.116 -6.482 3.421 1.00 0.00 N ATOM 168 CA MET A 14 1.593 -6.666 2.072 1.00 0.00 C ATOM 169 C MET A 14 2.715 -7.010 1.097 1.00 0.00 C ATOM 170 O MET A 14 3.866 -6.621 1.296 1.00 0.00 O ATOM 171 CB MET A 14 0.867 -5.402 1.607 1.00 0.00 C ATOM 172 CG MET A 14 0.211 -5.545 0.243 1.00 0.00 C ATOM 173 SD MET A 14 -0.943 -6.929 0.170 1.00 0.00 S ATOM 174 CE MET A 14 -2.168 -6.413 1.370 1.00 0.00 C ATOM 0 H MET A 14 2.960 -5.911 3.472 1.00 0.00 H new ATOM 0 HA MET A 14 0.886 -7.495 2.093 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.106 -5.139 2.341 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.577 -4.576 1.575 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.317 -4.623 -0.000 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.983 -5.680 -0.515 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.069 -7.015 1.252 1.00 0.00 H new ATOM 0 HE2 MET A 14 -1.771 -6.547 2.376 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.411 -5.362 1.213 1.00 0.00 H new ATOM 184 N VAL A 15 2.371 -7.741 0.041 1.00 0.00 N ATOM 185 CA VAL A 15 3.349 -8.137 -0.966 1.00 0.00 C ATOM 186 C VAL A 15 3.011 -7.536 -2.325 1.00 0.00 C ATOM 187 O VAL A 15 1.840 -7.384 -2.675 1.00 0.00 O ATOM 188 CB VAL A 15 3.428 -9.669 -1.099 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.734 -10.307 0.247 1.00 0.00 C ATOM 190 CG2 VAL A 15 2.135 -10.221 -1.678 1.00 0.00 C ATOM 0 H VAL A 15 1.423 -8.071 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 15 4.316 -7.759 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 15 4.240 -9.915 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.786 -11.390 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.689 -9.935 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.946 -10.054 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.209 -11.305 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.304 -9.965 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.964 -9.789 -2.664 1.00 0.00 H new ATOM 200 N HIS A 16 4.044 -7.197 -3.090 1.00 0.00 N ATOM 201 CA HIS A 16 3.857 -6.613 -4.413 1.00 0.00 C ATOM 202 C HIS A 16 5.019 -6.973 -5.335 1.00 0.00 C ATOM 203 O HIS A 16 6.111 -7.306 -4.873 1.00 0.00 O ATOM 204 CB HIS A 16 3.726 -5.093 -4.310 1.00 0.00 C ATOM 205 CG HIS A 16 5.042 -4.381 -4.251 1.00 0.00 C ATOM 206 ND1 HIS A 16 5.785 -4.267 -3.095 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.748 -3.744 -5.214 1.00 0.00 C ATOM 208 CE1 HIS A 16 6.890 -3.590 -3.349 1.00 0.00 C ATOM 209 NE2 HIS A 16 6.892 -3.261 -4.628 1.00 0.00 N ATOM 0 H HIS A 16 5.019 -7.317 -2.816 1.00 0.00 H new ATOM 0 HA HIS A 16 2.939 -7.021 -4.836 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.162 -4.726 -5.168 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.148 -4.846 -3.419 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.464 -3.636 -6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 16 7.661 -3.347 -2.633 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.624 -2.734 -5.103 1.00 0.00 H new ATOM 218 N TYR A 17 4.776 -6.905 -6.639 1.00 0.00 N ATOM 219 CA TYR A 17 5.800 -7.227 -7.625 1.00 0.00 C ATOM 220 C TYR A 17 5.759 -6.247 -8.793 1.00 0.00 C ATOM 221 O TYR A 17 4.836 -5.440 -8.912 1.00 0.00 O ATOM 222 CB TYR A 17 5.614 -8.656 -8.137 1.00 0.00 C ATOM 223 CG TYR A 17 4.230 -8.928 -8.682 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.182 -9.267 -7.834 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.970 -8.848 -10.044 1.00 0.00 C ATOM 226 CE1 TYR A 17 1.916 -9.517 -8.327 1.00 0.00 C ATOM 227 CE2 TYR A 17 2.706 -9.095 -10.546 1.00 0.00 C ATOM 228 CZ TYR A 17 1.683 -9.430 -9.684 1.00 0.00 C ATOM 229 OH TYR A 17 0.424 -9.678 -10.180 1.00 0.00 O ATOM 0 H TYR A 17 3.878 -6.630 -7.038 1.00 0.00 H new ATOM 0 HA TYR A 17 6.773 -7.146 -7.140 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.348 -8.852 -8.919 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.819 -9.354 -7.325 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.361 -9.336 -6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.769 -8.588 -10.723 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.113 -9.779 -7.654 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.521 -9.026 -11.608 1.00 0.00 H new ATOM 0 HH TYR A 17 0.175 -8.969 -10.809 1.00 0.00 H new ATOM 239 N THR A 18 6.767 -6.322 -9.657 1.00 0.00 N ATOM 240 CA THR A 18 6.848 -5.443 -10.816 1.00 0.00 C ATOM 241 C THR A 18 6.481 -6.185 -12.096 1.00 0.00 C ATOM 242 O THR A 18 6.137 -7.366 -12.063 1.00 0.00 O ATOM 243 CB THR A 18 8.260 -4.845 -10.970 1.00 0.00 C ATOM 244 OG1 THR A 18 9.210 -5.888 -11.210 1.00 0.00 O ATOM 245 CG2 THR A 18 8.657 -4.067 -9.724 1.00 0.00 C ATOM 0 H THR A 18 7.539 -6.983 -9.575 1.00 0.00 H new ATOM 0 HA THR A 18 6.135 -4.635 -10.650 1.00 0.00 H new ATOM 0 HB THR A 18 8.250 -4.161 -11.819 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.105 -5.500 -11.303 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.657 -3.654 -9.856 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.948 -3.255 -9.561 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.650 -4.733 -8.861 1.00 0.00 H new ATOM 253 N SER A 19 6.557 -5.485 -13.223 1.00 0.00 N ATOM 254 CA SER A 19 6.230 -6.077 -14.515 1.00 0.00 C ATOM 255 C SER A 19 7.496 -6.395 -15.304 1.00 0.00 C ATOM 256 O SER A 19 7.438 -7.001 -16.374 1.00 0.00 O ATOM 257 CB SER A 19 5.337 -5.132 -15.321 1.00 0.00 C ATOM 258 OG SER A 19 4.697 -5.818 -16.384 1.00 0.00 O ATOM 0 H SER A 19 6.842 -4.507 -13.268 1.00 0.00 H new ATOM 0 HA SER A 19 5.693 -7.008 -14.334 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.587 -4.689 -14.666 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.935 -4.313 -15.720 1.00 0.00 H new ATOM 0 HG SER A 19 5.338 -6.419 -16.818 1.00 0.00 H new ATOM 264 N ARG A 20 8.640 -5.982 -14.767 1.00 0.00 N ATOM 265 CA ARG A 20 9.921 -6.221 -15.420 1.00 0.00 C ATOM 266 C ARG A 20 10.744 -7.244 -14.644 1.00 0.00 C ATOM 267 O ARG A 20 11.460 -8.055 -15.232 1.00 0.00 O ATOM 268 CB ARG A 20 10.703 -4.913 -15.550 1.00 0.00 C ATOM 269 CG ARG A 20 11.803 -4.963 -16.597 1.00 0.00 C ATOM 270 CD ARG A 20 12.664 -3.710 -16.560 1.00 0.00 C ATOM 271 NE ARG A 20 13.966 -3.921 -17.188 1.00 0.00 N ATOM 272 CZ ARG A 20 15.006 -4.458 -16.560 1.00 0.00 C ATOM 273 NH1 ARG A 20 14.898 -4.835 -15.293 1.00 0.00 N ATOM 274 NH2 ARG A 20 16.158 -4.618 -17.199 1.00 0.00 N ATOM 0 H ARG A 20 8.705 -5.480 -13.881 1.00 0.00 H new ATOM 0 HA ARG A 20 9.725 -6.619 -16.416 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.011 -4.109 -15.800 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.143 -4.665 -14.584 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.428 -5.840 -16.429 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.360 -5.072 -17.587 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.144 -2.898 -17.068 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.807 -3.399 -15.525 1.00 0.00 H new ATOM 0 HE ARG A 20 14.083 -3.641 -18.162 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.014 -4.713 -14.798 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.698 -5.247 -14.814 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.245 -4.329 -18.173 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.956 -5.030 -16.716 1.00 0.00 H new ATOM 288 N ASP A 21 10.638 -7.200 -13.320 1.00 0.00 N ATOM 289 CA ASP A 21 11.373 -8.123 -12.463 1.00 0.00 C ATOM 290 C ASP A 21 10.419 -9.066 -11.736 1.00 0.00 C ATOM 291 O ASP A 21 10.829 -10.106 -11.224 1.00 0.00 O ATOM 292 CB ASP A 21 12.216 -7.349 -11.448 1.00 0.00 C ATOM 293 CG ASP A 21 12.688 -6.013 -11.986 1.00 0.00 C ATOM 294 OD1 ASP A 21 11.890 -5.052 -11.973 1.00 0.00 O ATOM 295 OD2 ASP A 21 13.855 -5.927 -12.421 1.00 0.00 O ATOM 0 H ASP A 21 10.050 -6.535 -12.817 1.00 0.00 H new ATOM 0 HA ASP A 21 12.033 -8.718 -13.094 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.631 -7.187 -10.543 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.081 -7.949 -11.165 1.00 0.00 H new ATOM 300 N ASN A 22 9.144 -8.693 -11.695 1.00 0.00 N ATOM 301 CA ASN A 22 8.131 -9.504 -11.030 1.00 0.00 C ATOM 302 C ASN A 22 8.658 -10.056 -9.709 1.00 0.00 C ATOM 303 O ASN A 22 8.259 -11.136 -9.271 1.00 0.00 O ATOM 304 CB ASN A 22 7.693 -10.656 -11.938 1.00 0.00 C ATOM 305 CG ASN A 22 8.868 -11.346 -12.604 1.00 0.00 C ATOM 306 OD1 ASN A 22 9.363 -10.894 -13.636 1.00 0.00 O ATOM 307 ND2 ASN A 22 9.319 -12.447 -12.014 1.00 0.00 N ATOM 0 H ASN A 22 8.788 -7.834 -12.115 1.00 0.00 H new ATOM 0 HA ASN A 22 7.271 -8.868 -10.821 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.132 -11.384 -11.352 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.017 -10.275 -12.704 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.107 -12.955 -12.416 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.877 -12.785 -11.159 1.00 0.00 H new ATOM 314 N LEU A 23 9.556 -9.308 -9.078 1.00 0.00 N ATOM 315 CA LEU A 23 10.137 -9.720 -7.805 1.00 0.00 C ATOM 316 C LEU A 23 9.189 -9.418 -6.649 1.00 0.00 C ATOM 317 O LEU A 23 9.014 -8.263 -6.262 1.00 0.00 O ATOM 318 CB LEU A 23 11.475 -9.013 -7.580 1.00 0.00 C ATOM 319 CG LEU A 23 12.452 -9.711 -6.633 1.00 0.00 C ATOM 320 CD1 LEU A 23 11.703 -10.379 -5.490 1.00 0.00 C ATOM 321 CD2 LEU A 23 13.293 -10.729 -7.389 1.00 0.00 C ATOM 0 H LEU A 23 9.898 -8.413 -9.427 1.00 0.00 H new ATOM 0 HA LEU A 23 10.303 -10.797 -7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.964 -8.887 -8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.275 -8.014 -7.192 1.00 0.00 H new ATOM 0 HG LEU A 23 13.120 -8.959 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.415 -10.870 -4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.146 -9.627 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.011 -11.119 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.982 -11.216 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.641 -11.478 -7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.859 -10.224 -8.172 1.00 0.00 H new ATOM 333 N ARG A 24 8.581 -10.465 -6.101 1.00 0.00 N ATOM 334 CA ARG A 24 7.651 -10.312 -4.988 1.00 0.00 C ATOM 335 C ARG A 24 8.366 -9.773 -3.753 1.00 0.00 C ATOM 336 O ARG A 24 9.330 -10.368 -3.270 1.00 0.00 O ATOM 337 CB ARG A 24 6.987 -11.651 -4.663 1.00 0.00 C ATOM 338 CG ARG A 24 5.683 -11.514 -3.894 1.00 0.00 C ATOM 339 CD ARG A 24 5.113 -12.872 -3.516 1.00 0.00 C ATOM 340 NE ARG A 24 4.788 -13.675 -4.691 1.00 0.00 N ATOM 341 CZ ARG A 24 4.148 -14.838 -4.632 1.00 0.00 C ATOM 342 NH1 ARG A 24 3.766 -15.329 -3.462 1.00 0.00 N ATOM 343 NH2 ARG A 24 3.888 -15.510 -5.746 1.00 0.00 N ATOM 0 H ARG A 24 8.715 -11.428 -6.409 1.00 0.00 H new ATOM 0 HA ARG A 24 6.884 -9.596 -5.284 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.796 -12.187 -5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.680 -12.259 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.851 -10.925 -2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.958 -10.970 -4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.833 -13.408 -2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.216 -12.733 -2.912 1.00 0.00 H new ATOM 0 HE ARG A 24 5.067 -13.324 -5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.963 -14.814 -2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.275 -16.222 -3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.179 -15.134 -6.648 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.397 -16.403 -5.700 1.00 0.00 H new ATOM 357 N LYS A 25 7.887 -8.642 -3.245 1.00 0.00 N ATOM 358 CA LYS A 25 8.479 -8.022 -2.066 1.00 0.00 C ATOM 359 C LYS A 25 7.448 -7.882 -0.950 1.00 0.00 C ATOM 360 O LYS A 25 6.412 -7.242 -1.126 1.00 0.00 O ATOM 361 CB LYS A 25 9.052 -6.648 -2.420 1.00 0.00 C ATOM 362 CG LYS A 25 10.486 -6.696 -2.917 1.00 0.00 C ATOM 363 CD LYS A 25 10.847 -5.446 -3.702 1.00 0.00 C ATOM 364 CE LYS A 25 12.043 -5.685 -4.610 1.00 0.00 C ATOM 365 NZ LYS A 25 12.120 -4.676 -5.702 1.00 0.00 N ATOM 0 H LYS A 25 7.090 -8.136 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 25 9.285 -8.665 -1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.426 -6.189 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.003 -6.006 -1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.162 -6.802 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.624 -7.575 -3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.992 -5.131 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.070 -4.633 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.959 -5.653 -4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.977 -6.684 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.948 -4.873 -6.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.257 -4.724 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.208 -3.725 -5.290 1.00 0.00 H new ATOM 379 N ARG A 26 7.740 -8.484 0.198 1.00 0.00 N ATOM 380 CA ARG A 26 6.839 -8.427 1.343 1.00 0.00 C ATOM 381 C ARG A 26 7.391 -7.501 2.423 1.00 0.00 C ATOM 382 O ARG A 26 8.453 -7.757 2.992 1.00 0.00 O ATOM 383 CB ARG A 26 6.621 -9.827 1.918 1.00 0.00 C ATOM 384 CG ARG A 26 5.909 -9.830 3.261 1.00 0.00 C ATOM 385 CD ARG A 26 5.486 -11.233 3.665 1.00 0.00 C ATOM 386 NE ARG A 26 6.562 -11.957 4.337 1.00 0.00 N ATOM 387 CZ ARG A 26 7.532 -12.597 3.693 1.00 0.00 C ATOM 388 NH1 ARG A 26 7.560 -12.603 2.368 1.00 0.00 N ATOM 389 NH2 ARG A 26 8.476 -13.233 4.376 1.00 0.00 N ATOM 0 H ARG A 26 8.594 -9.017 0.360 1.00 0.00 H new ATOM 0 HA ARG A 26 5.883 -8.030 1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.041 -10.416 1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.587 -10.320 2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.567 -9.414 4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.032 -9.185 3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.621 -11.175 4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.174 -11.787 2.779 1.00 0.00 H new ATOM 0 HE ARG A 26 6.569 -11.972 5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.836 -12.116 1.840 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.306 -13.095 1.876 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.457 -13.231 5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.220 -13.724 3.881 1.00 0.00 H new ATOM 403 N HIS A 27 6.662 -6.425 2.702 1.00 0.00 N ATOM 404 CA HIS A 27 7.079 -5.461 3.714 1.00 0.00 C ATOM 405 C HIS A 27 5.871 -4.894 4.454 1.00 0.00 C ATOM 406 O HIS A 27 4.740 -4.978 3.973 1.00 0.00 O ATOM 407 CB HIS A 27 7.877 -4.326 3.071 1.00 0.00 C ATOM 408 CG HIS A 27 8.967 -4.801 2.161 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.077 -4.403 0.846 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.001 -5.646 2.385 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.131 -4.983 0.299 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.709 -5.742 1.212 1.00 0.00 N ATOM 0 H HIS A 27 5.780 -6.199 2.242 1.00 0.00 H new ATOM 0 HA HIS A 27 7.714 -5.978 4.433 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.196 -3.688 2.507 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.314 -3.710 3.857 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.227 -6.150 3.313 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.463 -4.858 -0.721 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.546 -6.308 1.069 1.00 0.00 H new ATOM 421 N TYR A 28 6.117 -4.317 5.624 1.00 0.00 N ATOM 422 CA TYR A 28 5.050 -3.739 6.432 1.00 0.00 C ATOM 423 C TYR A 28 4.561 -2.425 5.829 1.00 0.00 C ATOM 424 O TYR A 28 5.023 -1.348 6.204 1.00 0.00 O ATOM 425 CB TYR A 28 5.533 -3.507 7.864 1.00 0.00 C ATOM 426 CG TYR A 28 4.416 -3.475 8.883 1.00 0.00 C ATOM 427 CD1 TYR A 28 3.539 -4.545 9.015 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.239 -2.376 9.714 1.00 0.00 C ATOM 429 CE1 TYR A 28 2.517 -4.519 9.944 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.220 -2.343 10.647 1.00 0.00 C ATOM 431 CZ TYR A 28 2.362 -3.417 10.757 1.00 0.00 C ATOM 432 OH TYR A 28 1.345 -3.388 11.684 1.00 0.00 O ATOM 0 H TYR A 28 7.047 -4.237 6.035 1.00 0.00 H new ATOM 0 HA TYR A 28 4.218 -4.444 6.447 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.236 -4.295 8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.079 -2.564 7.906 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.658 -5.411 8.381 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.909 -1.533 9.630 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.843 -5.358 10.033 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.096 -1.481 11.286 1.00 0.00 H new ATOM 0 HH TYR A 28 1.511 -2.669 12.329 1.00 0.00 H new ATOM 442 N TRP A 29 3.624 -2.524 4.894 1.00 0.00 N ATOM 443 CA TRP A 29 3.071 -1.344 4.238 1.00 0.00 C ATOM 444 C TRP A 29 2.342 -0.456 5.241 1.00 0.00 C ATOM 445 O TRP A 29 1.498 -0.928 6.003 1.00 0.00 O ATOM 446 CB TRP A 29 2.117 -1.758 3.117 1.00 0.00 C ATOM 447 CG TRP A 29 2.814 -2.051 1.822 1.00 0.00 C ATOM 448 CD1 TRP A 29 3.990 -2.726 1.659 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.378 -1.678 0.511 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.312 -2.794 0.325 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.339 -2.160 -0.400 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.269 -0.986 0.017 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.222 -1.969 -1.774 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.155 -0.797 -1.347 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.126 -1.288 -2.230 1.00 0.00 C ATOM 0 H TRP A 29 3.231 -3.409 4.573 1.00 0.00 H new ATOM 0 HA TRP A 29 3.897 -0.776 3.810 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.561 -2.642 3.430 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.388 -0.963 2.958 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.580 -3.145 2.461 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.141 -3.244 -0.062 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.514 -0.606 0.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.970 -2.345 -2.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.303 -0.262 -1.739 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.007 -1.126 -3.291 1.00 0.00 H new ATOM 466 N ARG A 30 2.673 0.831 5.235 1.00 0.00 N ATOM 467 CA ARG A 30 2.049 1.784 6.145 1.00 0.00 C ATOM 468 C ARG A 30 1.475 2.972 5.378 1.00 0.00 C ATOM 469 O ARG A 30 2.166 3.598 4.573 1.00 0.00 O ATOM 470 CB ARG A 30 3.065 2.274 7.179 1.00 0.00 C ATOM 471 CG ARG A 30 3.238 1.329 8.356 1.00 0.00 C ATOM 472 CD ARG A 30 4.183 1.906 9.399 1.00 0.00 C ATOM 473 NE ARG A 30 4.143 1.153 10.650 1.00 0.00 N ATOM 474 CZ ARG A 30 4.588 1.629 11.808 1.00 0.00 C ATOM 475 NH1 ARG A 30 5.103 2.849 11.874 1.00 0.00 N ATOM 476 NH2 ARG A 30 4.516 0.884 12.904 1.00 0.00 N ATOM 0 H ARG A 30 3.369 1.238 4.610 1.00 0.00 H new ATOM 0 HA ARG A 30 1.233 1.277 6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.030 2.413 6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.752 3.250 7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.268 1.132 8.812 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.624 0.373 8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.200 1.904 9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.918 2.945 9.593 1.00 0.00 H new ATOM 0 HE ARG A 30 3.752 0.211 10.634 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.158 3.425 11.034 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.444 3.211 12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.119 -0.054 12.858 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.858 1.250 13.793 1.00 0.00 H new ATOM 490 N LEU A 31 0.208 3.278 5.633 1.00 0.00 N ATOM 491 CA LEU A 31 -0.460 4.391 4.967 1.00 0.00 C ATOM 492 C LEU A 31 -0.951 5.417 5.983 1.00 0.00 C ATOM 493 O LEU A 31 -1.414 5.061 7.067 1.00 0.00 O ATOM 494 CB LEU A 31 -1.635 3.880 4.132 1.00 0.00 C ATOM 495 CG LEU A 31 -2.627 4.939 3.650 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.965 5.872 2.648 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.855 4.281 3.038 1.00 0.00 C ATOM 0 H LEU A 31 -0.378 2.771 6.296 1.00 0.00 H new ATOM 0 HA LEU A 31 0.262 4.875 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.237 3.361 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.180 3.142 4.721 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.946 5.528 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.686 6.619 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.117 6.370 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.617 5.297 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.550 5.050 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.554 3.667 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.342 3.654 3.785 1.00 0.00 H new ATOM 509 N ASP A 32 -0.849 6.692 5.623 1.00 0.00 N ATOM 510 CA ASP A 32 -1.286 7.771 6.502 1.00 0.00 C ATOM 511 C ASP A 32 -1.830 8.944 5.692 1.00 0.00 C ATOM 512 O ASP A 32 -1.879 8.894 4.463 1.00 0.00 O ATOM 513 CB ASP A 32 -0.129 8.239 7.386 1.00 0.00 C ATOM 514 CG ASP A 32 1.214 8.122 6.691 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.709 6.985 6.542 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.769 9.168 6.295 1.00 0.00 O ATOM 0 H ASP A 32 -0.468 7.003 4.730 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.085 7.388 7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.295 9.276 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.114 7.649 8.302 1.00 0.00 H new ATOM 521 N SER A 33 -2.238 10.000 6.390 1.00 0.00 N ATOM 522 CA SER A 33 -2.783 11.184 5.736 1.00 0.00 C ATOM 523 C SER A 33 -1.665 12.054 5.169 1.00 0.00 C ATOM 524 O SER A 33 -1.903 13.173 4.715 1.00 0.00 O ATOM 525 CB SER A 33 -3.625 11.995 6.723 1.00 0.00 C ATOM 526 OG SER A 33 -2.822 12.529 7.761 1.00 0.00 O ATOM 0 H SER A 33 -2.201 10.059 7.408 1.00 0.00 H new ATOM 0 HA SER A 33 -3.417 10.855 4.913 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.129 12.805 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.402 11.361 7.150 1.00 0.00 H new ATOM 0 HG SER A 33 -3.384 13.044 8.377 1.00 0.00 H new ATOM 532 N LYS A 34 -0.444 11.532 5.200 1.00 0.00 N ATOM 533 CA LYS A 34 0.713 12.258 4.688 1.00 0.00 C ATOM 534 C LYS A 34 1.298 11.558 3.467 1.00 0.00 C ATOM 535 O LYS A 34 1.187 12.052 2.344 1.00 0.00 O ATOM 536 CB LYS A 34 1.781 12.388 5.776 1.00 0.00 C ATOM 537 CG LYS A 34 3.107 12.924 5.266 1.00 0.00 C ATOM 538 CD LYS A 34 3.040 14.420 5.004 1.00 0.00 C ATOM 539 CE LYS A 34 3.314 15.219 6.268 1.00 0.00 C ATOM 540 NZ LYS A 34 2.915 16.646 6.120 1.00 0.00 N ATOM 0 H LYS A 34 -0.229 10.608 5.575 1.00 0.00 H new ATOM 0 HA LYS A 34 0.384 13.253 4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.410 13.047 6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.945 11.411 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.889 12.716 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.381 12.405 4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.767 14.689 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.055 14.679 4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.772 14.775 7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.375 15.162 6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.118 17.157 7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.451 17.077 5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.897 16.702 5.914 1.00 0.00 H new ATOM 554 N CYS A 35 1.920 10.406 3.692 1.00 0.00 N ATOM 555 CA CYS A 35 2.522 9.637 2.609 1.00 0.00 C ATOM 556 C CYS A 35 2.597 8.157 2.968 1.00 0.00 C ATOM 557 O CYS A 35 2.530 7.788 4.141 1.00 0.00 O ATOM 558 CB CYS A 35 3.921 10.170 2.295 1.00 0.00 C ATOM 559 SG CYS A 35 3.950 11.893 1.747 1.00 0.00 S ATOM 0 H CYS A 35 2.021 9.984 4.615 1.00 0.00 H new ATOM 0 HA CYS A 35 1.892 9.745 1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.543 10.073 3.185 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.370 9.547 1.522 1.00 0.00 H new ATOM 0 HG CYS A 35 2.733 12.341 1.660 1.00 0.00 H new ATOM 565 N LEU A 36 2.734 7.313 1.952 1.00 0.00 N ATOM 566 CA LEU A 36 2.816 5.871 2.160 1.00 0.00 C ATOM 567 C LEU A 36 4.259 5.437 2.397 1.00 0.00 C ATOM 568 O LEU A 36 5.105 5.542 1.508 1.00 0.00 O ATOM 569 CB LEU A 36 2.239 5.128 0.953 1.00 0.00 C ATOM 570 CG LEU A 36 2.471 3.617 0.922 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.492 2.908 1.846 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.346 3.088 -0.499 1.00 0.00 C ATOM 0 H LEU A 36 2.791 7.602 0.975 1.00 0.00 H new ATOM 0 HA LEU A 36 2.231 5.622 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.165 5.311 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.666 5.560 0.048 1.00 0.00 H new ATOM 0 HG LEU A 36 3.482 3.416 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.672 1.833 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.630 3.266 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.472 3.116 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.514 2.011 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.347 3.301 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.087 3.573 -1.134 1.00 0.00 H new ATOM 584 N THR A 37 4.533 4.946 3.602 1.00 0.00 N ATOM 585 CA THR A 37 5.873 4.494 3.956 1.00 0.00 C ATOM 586 C THR A 37 5.907 2.984 4.163 1.00 0.00 C ATOM 587 O THR A 37 4.907 2.378 4.551 1.00 0.00 O ATOM 588 CB THR A 37 6.380 5.188 5.234 1.00 0.00 C ATOM 589 OG1 THR A 37 5.807 6.495 5.342 1.00 0.00 O ATOM 590 CG2 THR A 37 7.898 5.293 5.226 1.00 0.00 C ATOM 0 H THR A 37 3.845 4.851 4.349 1.00 0.00 H new ATOM 0 HA THR A 37 6.526 4.758 3.124 1.00 0.00 H new ATOM 0 HB THR A 37 6.077 4.588 6.092 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.133 6.929 6.158 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.233 5.786 6.138 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.332 4.294 5.173 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.218 5.874 4.361 1.00 0.00 H new ATOM 598 N LEU A 38 7.062 2.382 3.904 1.00 0.00 N ATOM 599 CA LEU A 38 7.227 0.941 4.063 1.00 0.00 C ATOM 600 C LEU A 38 8.313 0.627 5.087 1.00 0.00 C ATOM 601 O LEU A 38 9.159 1.469 5.388 1.00 0.00 O ATOM 602 CB LEU A 38 7.574 0.296 2.721 1.00 0.00 C ATOM 603 CG LEU A 38 6.389 -0.165 1.871 1.00 0.00 C ATOM 604 CD1 LEU A 38 5.679 1.029 1.253 1.00 0.00 C ATOM 605 CD2 LEU A 38 6.852 -1.131 0.790 1.00 0.00 C ATOM 0 H LEU A 38 7.899 2.869 3.583 1.00 0.00 H new ATOM 0 HA LEU A 38 6.284 0.530 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.158 1.009 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.217 -0.564 2.909 1.00 0.00 H new ATOM 0 HG LEU A 38 5.683 -0.686 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.839 0.682 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.313 1.684 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.375 1.579 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.996 -1.449 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.578 -0.635 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.314 -2.002 1.254 1.00 0.00 H new ATOM 617 N PHE A 39 8.283 -0.591 5.619 1.00 0.00 N ATOM 618 CA PHE A 39 9.266 -1.017 6.609 1.00 0.00 C ATOM 619 C PHE A 39 9.606 -2.494 6.435 1.00 0.00 C ATOM 620 O PHE A 39 8.734 -3.313 6.149 1.00 0.00 O ATOM 621 CB PHE A 39 8.738 -0.766 8.023 1.00 0.00 C ATOM 622 CG PHE A 39 8.660 0.690 8.384 1.00 0.00 C ATOM 623 CD1 PHE A 39 9.752 1.339 8.937 1.00 0.00 C ATOM 624 CD2 PHE A 39 7.495 1.409 8.170 1.00 0.00 C ATOM 625 CE1 PHE A 39 9.682 2.679 9.271 1.00 0.00 C ATOM 626 CE2 PHE A 39 7.420 2.749 8.501 1.00 0.00 C ATOM 627 CZ PHE A 39 8.515 3.385 9.052 1.00 0.00 C ATOM 0 H PHE A 39 7.589 -1.300 5.381 1.00 0.00 H new ATOM 0 HA PHE A 39 10.174 -0.433 6.459 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.746 -1.209 8.116 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.383 -1.276 8.739 1.00 0.00 H new ATOM 0 HD1 PHE A 39 10.668 0.793 9.109 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.635 0.917 7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 39 10.539 3.174 9.703 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.506 3.298 8.329 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.459 4.432 9.311 1.00 0.00 H new ATOM 637 N GLN A 40 10.881 -2.825 6.611 1.00 0.00 N ATOM 638 CA GLN A 40 11.338 -4.203 6.473 1.00 0.00 C ATOM 639 C GLN A 40 10.809 -5.069 7.611 1.00 0.00 C ATOM 640 O GLN A 40 10.441 -6.225 7.406 1.00 0.00 O ATOM 641 CB GLN A 40 12.866 -4.256 6.444 1.00 0.00 C ATOM 642 CG GLN A 40 13.518 -3.696 7.699 1.00 0.00 C ATOM 643 CD GLN A 40 15.029 -3.639 7.596 1.00 0.00 C ATOM 644 OE1 GLN A 40 15.655 -4.508 6.988 1.00 0.00 O ATOM 645 NE2 GLN A 40 15.625 -2.612 8.190 1.00 0.00 N ATOM 0 H GLN A 40 11.615 -2.159 6.849 1.00 0.00 H new ATOM 0 HA GLN A 40 10.950 -4.595 5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.183 -5.290 6.310 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.224 -3.698 5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.133 -2.694 7.888 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.239 -4.311 8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.068 -1.914 8.683 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.640 -2.521 8.153 1.00 0.00 H new ATOM 654 N ASN A 41 10.773 -4.501 8.813 1.00 0.00 N ATOM 655 CA ASN A 41 10.290 -5.222 9.985 1.00 0.00 C ATOM 656 C ASN A 41 9.185 -4.438 10.688 1.00 0.00 C ATOM 657 O ASN A 41 8.934 -3.278 10.366 1.00 0.00 O ATOM 658 CB ASN A 41 11.441 -5.487 10.957 1.00 0.00 C ATOM 659 CG ASN A 41 12.545 -6.317 10.332 1.00 0.00 C ATOM 660 OD1 ASN A 41 12.288 -7.190 9.503 1.00 0.00 O ATOM 661 ND2 ASN A 41 13.784 -6.049 10.730 1.00 0.00 N ATOM 0 H ASN A 41 11.072 -3.544 9.000 1.00 0.00 H new ATOM 0 HA ASN A 41 9.879 -6.175 9.651 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.852 -4.536 11.297 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.058 -6.001 11.838 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.568 -6.576 10.346 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.951 -5.316 11.420 1.00 0.00 H new ATOM 755 N TYR A 48 12.053 1.947 4.665 1.00 0.00 N ATOM 756 CA TYR A 48 12.636 1.264 3.517 1.00 0.00 C ATOM 757 C TYR A 48 12.483 2.100 2.250 1.00 0.00 C ATOM 758 O TYR A 48 13.423 2.242 1.468 1.00 0.00 O ATOM 759 CB TYR A 48 11.978 -0.103 3.322 1.00 0.00 C ATOM 760 CG TYR A 48 12.049 -0.612 1.900 1.00 0.00 C ATOM 761 CD1 TYR A 48 13.170 -1.292 1.440 1.00 0.00 C ATOM 762 CD2 TYR A 48 10.996 -0.412 1.015 1.00 0.00 C ATOM 763 CE1 TYR A 48 13.240 -1.759 0.142 1.00 0.00 C ATOM 764 CE2 TYR A 48 11.057 -0.876 -0.284 1.00 0.00 C ATOM 765 CZ TYR A 48 12.181 -1.548 -0.716 1.00 0.00 C ATOM 766 OH TYR A 48 12.246 -2.011 -2.011 1.00 0.00 O ATOM 0 HA TYR A 48 13.699 1.124 3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.458 -0.825 3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.933 -0.040 3.625 1.00 0.00 H new ATOM 0 HD1 TYR A 48 14.001 -1.458 2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.115 0.115 1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 48 14.119 -2.286 -0.199 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.229 -0.714 -0.958 1.00 0.00 H new ATOM 0 HH TYR A 48 11.418 -1.781 -2.483 1.00 0.00 H new ATOM 776 N LYS A 49 11.291 2.653 2.054 1.00 0.00 N ATOM 777 CA LYS A 49 11.012 3.477 0.885 1.00 0.00 C ATOM 778 C LYS A 49 9.833 4.410 1.145 1.00 0.00 C ATOM 779 O LYS A 49 8.891 4.051 1.850 1.00 0.00 O ATOM 780 CB LYS A 49 10.719 2.593 -0.330 1.00 0.00 C ATOM 781 CG LYS A 49 10.412 3.378 -1.593 1.00 0.00 C ATOM 782 CD LYS A 49 10.609 2.529 -2.838 1.00 0.00 C ATOM 783 CE LYS A 49 12.083 2.365 -3.174 1.00 0.00 C ATOM 784 NZ LYS A 49 12.285 1.527 -4.388 1.00 0.00 N ATOM 0 H LYS A 49 10.502 2.545 2.691 1.00 0.00 H new ATOM 0 HA LYS A 49 11.894 4.084 0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.577 1.946 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.874 1.944 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.384 3.740 -1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.057 4.255 -1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.158 1.548 -2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.092 2.990 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.531 3.346 -3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.600 1.910 -2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.303 1.439 -4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.880 0.582 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.814 1.973 -5.200 1.00 0.00 H new ATOM 798 N GLU A 50 9.893 5.607 0.569 1.00 0.00 N ATOM 799 CA GLU A 50 8.829 6.589 0.739 1.00 0.00 C ATOM 800 C GLU A 50 8.018 6.741 -0.544 1.00 0.00 C ATOM 801 O GLU A 50 8.573 6.988 -1.616 1.00 0.00 O ATOM 802 CB GLU A 50 9.415 7.942 1.149 1.00 0.00 C ATOM 803 CG GLU A 50 8.362 8.995 1.452 1.00 0.00 C ATOM 804 CD GLU A 50 8.966 10.321 1.871 1.00 0.00 C ATOM 805 OE1 GLU A 50 9.592 10.984 1.018 1.00 0.00 O ATOM 806 OE2 GLU A 50 8.812 10.695 3.053 1.00 0.00 O ATOM 0 H GLU A 50 10.666 5.919 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 50 8.165 6.235 1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.043 7.805 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.061 8.306 0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.740 9.146 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.708 8.632 2.244 1.00 0.00 H new ATOM 813 N ILE A 51 6.703 6.592 -0.428 1.00 0.00 N ATOM 814 CA ILE A 51 5.816 6.713 -1.578 1.00 0.00 C ATOM 815 C ILE A 51 4.747 7.774 -1.339 1.00 0.00 C ATOM 816 O ILE A 51 3.682 7.503 -0.783 1.00 0.00 O ATOM 817 CB ILE A 51 5.130 5.373 -1.903 1.00 0.00 C ATOM 818 CG1 ILE A 51 6.175 4.270 -2.082 1.00 0.00 C ATOM 819 CG2 ILE A 51 4.274 5.506 -3.154 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.585 2.878 -2.119 1.00 0.00 C ATOM 0 H ILE A 51 6.228 6.387 0.451 1.00 0.00 H new ATOM 0 HA ILE A 51 6.435 7.009 -2.424 1.00 0.00 H new ATOM 0 HB ILE A 51 4.482 5.102 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.724 4.448 -3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.896 4.328 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.796 4.551 -3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.510 6.266 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.903 5.796 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.384 2.148 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.060 2.680 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.885 2.801 -2.951 1.00 0.00 H new ATOM 832 N PRO A 52 5.035 9.011 -1.769 1.00 0.00 N ATOM 833 CA PRO A 52 4.110 10.138 -1.615 1.00 0.00 C ATOM 834 C PRO A 52 2.882 10.006 -2.509 1.00 0.00 C ATOM 835 O PRO A 52 2.989 9.629 -3.677 1.00 0.00 O ATOM 836 CB PRO A 52 4.950 11.347 -2.034 1.00 0.00 C ATOM 837 CG PRO A 52 5.986 10.789 -2.948 1.00 0.00 C ATOM 838 CD PRO A 52 6.285 9.406 -2.440 1.00 0.00 C ATOM 0 HA PRO A 52 3.717 10.207 -0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.340 12.097 -2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.404 11.832 -1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.624 10.757 -3.976 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.883 11.408 -2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.537 8.725 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.129 9.405 -1.750 1.00 0.00 H new ATOM 846 N LEU A 53 1.716 10.320 -1.955 1.00 0.00 N ATOM 847 CA LEU A 53 0.466 10.237 -2.704 1.00 0.00 C ATOM 848 C LEU A 53 0.640 10.788 -4.116 1.00 0.00 C ATOM 849 O LEU A 53 -0.106 10.432 -5.028 1.00 0.00 O ATOM 850 CB LEU A 53 -0.638 11.006 -1.976 1.00 0.00 C ATOM 851 CG LEU A 53 -0.979 10.519 -0.567 1.00 0.00 C ATOM 852 CD1 LEU A 53 -1.970 11.461 0.098 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.534 9.102 -0.612 1.00 0.00 C ATOM 0 H LEU A 53 1.610 10.634 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 53 0.182 9.187 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.344 12.054 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.543 10.964 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.064 10.511 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.201 11.098 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.536 12.458 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.885 11.502 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.771 8.772 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.438 9.084 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.791 8.434 -1.047 1.00 0.00 H new ATOM 865 N SER A 54 1.631 11.657 -4.288 1.00 0.00 N ATOM 866 CA SER A 54 1.902 12.259 -5.589 1.00 0.00 C ATOM 867 C SER A 54 2.336 11.200 -6.597 1.00 0.00 C ATOM 868 O SER A 54 1.792 11.116 -7.698 1.00 0.00 O ATOM 869 CB SER A 54 2.984 13.333 -5.462 1.00 0.00 C ATOM 870 OG SER A 54 2.458 14.522 -4.899 1.00 0.00 O ATOM 0 H SER A 54 2.259 11.960 -3.544 1.00 0.00 H new ATOM 0 HA SER A 54 0.982 12.721 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.798 12.962 -4.840 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.405 13.547 -6.444 1.00 0.00 H new ATOM 0 HG SER A 54 3.169 15.192 -4.827 1.00 0.00 H new ATOM 876 N GLU A 55 3.320 10.393 -6.212 1.00 0.00 N ATOM 877 CA GLU A 55 3.829 9.340 -7.083 1.00 0.00 C ATOM 878 C GLU A 55 2.683 8.539 -7.694 1.00 0.00 C ATOM 879 O GLU A 55 2.572 8.427 -8.915 1.00 0.00 O ATOM 880 CB GLU A 55 4.759 8.408 -6.304 1.00 0.00 C ATOM 881 CG GLU A 55 5.841 7.773 -7.160 1.00 0.00 C ATOM 882 CD GLU A 55 6.864 7.012 -6.338 1.00 0.00 C ATOM 883 OE1 GLU A 55 6.476 6.415 -5.312 1.00 0.00 O ATOM 884 OE2 GLU A 55 8.053 7.015 -6.722 1.00 0.00 O ATOM 0 H GLU A 55 3.780 10.448 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 55 4.391 9.811 -7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.229 8.969 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.165 7.620 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.380 7.095 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.347 8.549 -7.735 1.00 0.00 H new ATOM 891 N ILE A 56 1.834 7.983 -6.836 1.00 0.00 N ATOM 892 CA ILE A 56 0.697 7.193 -7.290 1.00 0.00 C ATOM 893 C ILE A 56 -0.201 8.005 -8.218 1.00 0.00 C ATOM 894 O ILE A 56 -0.974 8.851 -7.768 1.00 0.00 O ATOM 895 CB ILE A 56 -0.141 6.678 -6.105 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.746 5.912 -5.121 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.275 5.794 -6.602 1.00 0.00 C ATOM 898 CD1 ILE A 56 0.116 5.727 -3.758 1.00 0.00 C ATOM 0 H ILE A 56 1.912 8.065 -5.822 1.00 0.00 H new ATOM 0 HA ILE A 56 1.103 6.340 -7.834 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.574 7.533 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.979 4.933 -5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.691 6.443 -5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.858 5.438 -5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.919 6.368 -7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.862 4.942 -7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.800 5.176 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.092 6.702 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.815 5.169 -3.860 1.00 0.00 H new ATOM 910 N LEU A 57 -0.095 7.740 -9.516 1.00 0.00 N ATOM 911 CA LEU A 57 -0.899 8.445 -10.508 1.00 0.00 C ATOM 912 C LEU A 57 -2.310 7.870 -10.573 1.00 0.00 C ATOM 913 O LEU A 57 -3.291 8.580 -10.350 1.00 0.00 O ATOM 914 CB LEU A 57 -0.237 8.358 -11.884 1.00 0.00 C ATOM 915 CG LEU A 57 1.231 8.782 -11.951 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.929 8.106 -13.120 1.00 0.00 C ATOM 917 CD2 LEU A 57 1.345 10.296 -12.062 1.00 0.00 C ATOM 0 H LEU A 57 0.539 7.043 -9.905 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.966 9.491 -10.209 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.314 7.330 -12.238 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.805 8.977 -12.578 1.00 0.00 H new ATOM 0 HG LEU A 57 1.722 8.467 -11.030 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.972 8.420 -13.152 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.879 7.024 -12.997 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.437 8.389 -14.051 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.397 10.579 -12.109 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.838 10.634 -12.966 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.882 10.761 -11.191 1.00 0.00 H new ATOM 929 N ARG A 58 -2.405 6.580 -10.879 1.00 0.00 N ATOM 930 CA ARG A 58 -3.696 5.909 -10.972 1.00 0.00 C ATOM 931 C ARG A 58 -3.541 4.403 -10.788 1.00 0.00 C ATOM 932 O ARG A 58 -2.445 3.910 -10.518 1.00 0.00 O ATOM 933 CB ARG A 58 -4.351 6.204 -12.323 1.00 0.00 C ATOM 934 CG ARG A 58 -3.636 5.561 -13.500 1.00 0.00 C ATOM 935 CD ARG A 58 -4.369 5.821 -14.807 1.00 0.00 C ATOM 936 NE ARG A 58 -3.948 7.073 -15.431 1.00 0.00 N ATOM 937 CZ ARG A 58 -2.815 7.210 -16.110 1.00 0.00 C ATOM 938 NH1 ARG A 58 -1.993 6.179 -16.252 1.00 0.00 N ATOM 939 NH2 ARG A 58 -2.501 8.381 -16.649 1.00 0.00 N ATOM 0 H ARG A 58 -1.603 5.979 -11.067 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.334 6.291 -10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.383 5.854 -12.301 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.383 7.283 -12.474 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.620 5.951 -13.567 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.554 4.487 -13.335 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.188 4.995 -15.494 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.443 5.852 -14.621 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.557 7.886 -15.340 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.230 5.277 -15.839 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.124 6.288 -16.774 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.130 9.177 -16.542 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.631 8.485 -17.170 1.00 0.00 H new ATOM 953 N ILE A 59 -4.644 3.677 -10.935 1.00 0.00 N ATOM 954 CA ILE A 59 -4.630 2.227 -10.786 1.00 0.00 C ATOM 955 C ILE A 59 -4.856 1.534 -12.125 1.00 0.00 C ATOM 956 O ILE A 59 -5.414 2.120 -13.052 1.00 0.00 O ATOM 957 CB ILE A 59 -5.703 1.754 -9.788 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.526 2.460 -8.442 1.00 0.00 C ATOM 959 CG2 ILE A 59 -5.634 0.244 -9.613 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.156 2.263 -7.831 1.00 0.00 C ATOM 0 H ILE A 59 -5.559 4.069 -11.157 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.645 1.959 -10.403 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.685 2.010 -10.185 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.706 3.527 -8.574 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.281 2.093 -7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.398 -0.075 -8.905 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.804 -0.242 -10.574 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.650 -0.034 -9.235 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.103 2.791 -6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.980 1.200 -7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.396 2.656 -8.507 1.00 0.00 H new ATOM 972 N SER A 60 -4.420 0.282 -12.219 1.00 0.00 N ATOM 973 CA SER A 60 -4.573 -0.491 -13.445 1.00 0.00 C ATOM 974 C SER A 60 -5.889 -1.263 -13.440 1.00 0.00 C ATOM 975 O SER A 60 -6.689 -1.141 -12.513 1.00 0.00 O ATOM 976 CB SER A 60 -3.401 -1.461 -13.612 1.00 0.00 C ATOM 977 OG SER A 60 -3.209 -1.799 -14.974 1.00 0.00 O ATOM 0 H SER A 60 -3.958 -0.219 -11.460 1.00 0.00 H new ATOM 0 HA SER A 60 -4.582 0.204 -14.284 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.492 -1.010 -13.214 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.588 -2.365 -13.033 1.00 0.00 H new ATOM 0 HG SER A 60 -2.454 -2.418 -15.054 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.795 -11.018 -8.155 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.693 -9.672 -7.603 1.00 0.00 C ATOM 1187 C HIS A 75 -5.044 -8.963 -7.645 1.00 0.00 C ATOM 1188 O HIS A 75 -5.919 -9.322 -8.434 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.653 -8.858 -8.375 1.00 0.00 C ATOM 1190 CG HIS A 75 -3.084 -8.499 -9.763 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -3.200 -9.424 -10.779 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -3.430 -7.306 -10.302 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -3.596 -8.816 -11.883 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -3.744 -7.530 -11.620 1.00 0.00 N ATOM 0 HA HIS A 75 -3.379 -9.756 -6.563 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.436 -7.944 -7.823 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.724 -9.426 -8.427 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.454 -6.355 -9.790 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -3.769 -9.290 -12.838 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.043 -6.819 -12.287 1.00 0.00 H new ATOM 1203 N CYS A 76 -5.206 -7.958 -6.793 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.451 -7.200 -6.732 1.00 0.00 C ATOM 1205 C CYS A 76 -6.343 -5.911 -7.540 1.00 0.00 C ATOM 1206 O CYS A 76 -7.198 -5.616 -8.375 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.805 -6.878 -5.280 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.330 -5.925 -5.086 1.00 0.00 S ATOM 0 H CYS A 76 -4.491 -7.648 -6.134 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.242 -7.813 -7.164 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.899 -7.811 -4.725 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.982 -6.322 -4.831 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.546 -5.704 -3.823 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.287 -5.146 -7.285 1.00 0.00 N ATOM 1215 CA PHE A 77 -5.068 -3.886 -7.986 1.00 0.00 C ATOM 1216 C PHE A 77 -3.586 -3.679 -8.283 1.00 0.00 C ATOM 1217 O PHE A 77 -2.739 -4.451 -7.834 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.602 -2.716 -7.157 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.863 -2.510 -5.866 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -5.103 -3.332 -4.776 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.928 -1.495 -5.742 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.424 -3.145 -3.586 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -3.246 -1.304 -4.555 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.495 -2.129 -3.475 1.00 0.00 C ATOM 0 H PHE A 77 -4.569 -5.376 -6.598 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.608 -3.928 -8.932 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.542 -1.804 -7.750 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.656 -2.886 -6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.829 -4.128 -4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.730 -0.846 -6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.620 -3.793 -2.744 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.519 -0.510 -4.472 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.964 -1.980 -2.546 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.281 -2.632 -9.043 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.901 -2.324 -9.401 1.00 0.00 C ATOM 1236 C GLU A 78 -1.621 -0.832 -9.253 1.00 0.00 C ATOM 1237 O GLU A 78 -2.403 0.006 -9.703 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.612 -2.768 -10.836 1.00 0.00 C ATOM 1239 CG GLU A 78 -1.726 -4.269 -11.044 1.00 0.00 C ATOM 1240 CD GLU A 78 -1.741 -4.657 -12.510 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -0.982 -4.047 -13.292 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.512 -5.568 -12.875 1.00 0.00 O ATOM 0 H GLU A 78 -3.970 -1.983 -9.423 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.246 -2.868 -8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.304 -2.263 -11.510 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.607 -2.447 -11.111 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.891 -4.765 -10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.638 -4.630 -10.568 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.500 -0.507 -8.617 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.115 0.884 -8.410 1.00 0.00 C ATOM 1251 C ILE A 79 0.846 1.356 -9.495 1.00 0.00 C ATOM 1252 O ILE A 79 1.988 0.900 -9.568 1.00 0.00 O ATOM 1253 CB ILE A 79 0.543 1.086 -7.032 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.425 0.688 -5.917 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.987 2.532 -6.865 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.224 0.613 -4.552 1.00 0.00 C ATOM 0 H ILE A 79 0.157 -1.188 -8.236 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.029 1.475 -8.457 1.00 0.00 H new ATOM 0 HB ILE A 79 1.423 0.446 -6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.243 1.408 -5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.863 -0.281 -6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.450 2.660 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.708 2.784 -7.643 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.122 3.190 -6.945 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.521 0.326 -3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.023 -0.128 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.638 1.587 -4.292 1.00 0.00 H new ATOM 1268 N ILE A 80 0.378 2.273 -10.335 1.00 0.00 N ATOM 1269 CA ILE A 80 1.197 2.810 -11.414 1.00 0.00 C ATOM 1270 C ILE A 80 1.936 4.068 -10.970 1.00 0.00 C ATOM 1271 O ILE A 80 1.326 5.023 -10.489 1.00 0.00 O ATOM 1272 CB ILE A 80 0.348 3.138 -12.656 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.230 1.856 -13.259 1.00 0.00 C ATOM 1274 CG2 ILE A 80 1.182 3.884 -13.686 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.542 1.433 -12.634 1.00 0.00 C ATOM 0 H ILE A 80 -0.565 2.660 -10.289 1.00 0.00 H new ATOM 0 HA ILE A 80 1.922 2.038 -11.673 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.479 3.780 -12.353 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.377 2.001 -14.329 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.495 1.050 -13.143 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.568 4.109 -14.558 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.550 4.814 -13.252 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.027 3.265 -13.987 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.893 0.517 -13.110 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.397 1.255 -11.568 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.282 2.221 -12.773 1.00 0.00 H new ATOM 1287 N THR A 81 3.255 4.063 -11.137 1.00 0.00 N ATOM 1288 CA THR A 81 4.078 5.203 -10.754 1.00 0.00 C ATOM 1289 C THR A 81 4.737 5.839 -11.973 1.00 0.00 C ATOM 1290 O THR A 81 4.497 5.425 -13.107 1.00 0.00 O ATOM 1291 CB THR A 81 5.171 4.795 -9.748 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.896 3.665 -10.244 1.00 0.00 O ATOM 1293 CG2 THR A 81 4.562 4.460 -8.395 1.00 0.00 C ATOM 0 H THR A 81 3.776 3.282 -11.535 1.00 0.00 H new ATOM 0 HA THR A 81 3.414 5.928 -10.283 1.00 0.00 H new ATOM 0 HB THR A 81 5.853 5.636 -9.624 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.278 2.918 -10.390 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.352 4.175 -7.701 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.036 5.332 -8.007 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.861 3.633 -8.506 1.00 0.00 H new ATOM 1301 N ASP A 82 5.570 6.845 -11.732 1.00 0.00 N ATOM 1302 CA ASP A 82 6.266 7.537 -12.810 1.00 0.00 C ATOM 1303 C ASP A 82 7.457 6.719 -13.301 1.00 0.00 C ATOM 1304 O ASP A 82 8.223 7.167 -14.154 1.00 0.00 O ATOM 1305 CB ASP A 82 6.737 8.915 -12.342 1.00 0.00 C ATOM 1306 CG ASP A 82 6.804 9.920 -13.474 1.00 0.00 C ATOM 1307 OD1 ASP A 82 7.180 9.524 -14.598 1.00 0.00 O ATOM 1308 OD2 ASP A 82 6.480 11.102 -13.238 1.00 0.00 O ATOM 0 H ASP A 82 5.780 7.200 -10.799 1.00 0.00 H new ATOM 0 HA ASP A 82 5.567 7.663 -13.637 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.060 9.285 -11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.722 8.823 -11.884 1.00 0.00 H new ATOM 1313 N THR A 83 7.608 5.516 -12.755 1.00 0.00 N ATOM 1314 CA THR A 83 8.706 4.637 -13.135 1.00 0.00 C ATOM 1315 C THR A 83 8.186 3.327 -13.716 1.00 0.00 C ATOM 1316 O THR A 83 8.239 3.109 -14.926 1.00 0.00 O ATOM 1317 CB THR A 83 9.618 4.326 -11.933 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.849 3.753 -10.870 1.00 0.00 O ATOM 1319 CG2 THR A 83 10.314 5.586 -11.441 1.00 0.00 C ATOM 0 H THR A 83 6.983 5.129 -12.048 1.00 0.00 H new ATOM 0 HA THR A 83 9.284 5.164 -13.894 1.00 0.00 H new ATOM 0 HB THR A 83 10.377 3.614 -12.256 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.436 3.557 -10.110 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.952 5.341 -10.592 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.922 6.003 -12.244 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.567 6.318 -11.134 1.00 0.00 H new ATOM 1327 N MET A 84 7.682 2.458 -12.845 1.00 0.00 N ATOM 1328 CA MET A 84 7.150 1.169 -13.273 1.00 0.00 C ATOM 1329 C MET A 84 5.834 0.862 -12.566 1.00 0.00 C ATOM 1330 O MET A 84 5.457 1.543 -11.612 1.00 0.00 O ATOM 1331 CB MET A 84 8.164 0.057 -12.996 1.00 0.00 C ATOM 1332 CG MET A 84 9.340 0.053 -13.958 1.00 0.00 C ATOM 1333 SD MET A 84 10.849 -0.588 -13.208 1.00 0.00 S ATOM 1334 CE MET A 84 10.310 -2.220 -12.703 1.00 0.00 C ATOM 0 H MET A 84 7.631 2.623 -11.840 1.00 0.00 H new ATOM 0 HA MET A 84 6.962 1.220 -14.345 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.538 0.164 -11.978 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.658 -0.907 -13.050 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.088 -0.550 -14.831 1.00 0.00 H new ATOM 0 HG3 MET A 84 9.518 1.068 -14.312 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.165 -2.788 -12.335 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.566 -2.129 -11.911 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.871 -2.738 -13.555 1.00 0.00 H new ATOM 1344 N VAL A 85 5.139 -0.167 -13.039 1.00 0.00 N ATOM 1345 CA VAL A 85 3.865 -0.565 -12.451 1.00 0.00 C ATOM 1346 C VAL A 85 4.068 -1.595 -11.346 1.00 0.00 C ATOM 1347 O VAL A 85 4.934 -2.465 -11.445 1.00 0.00 O ATOM 1348 CB VAL A 85 2.914 -1.147 -13.513 1.00 0.00 C ATOM 1349 CG1 VAL A 85 1.583 -1.531 -12.885 1.00 0.00 C ATOM 1350 CG2 VAL A 85 2.712 -0.155 -14.648 1.00 0.00 C ATOM 0 H VAL A 85 5.437 -0.741 -13.828 1.00 0.00 H new ATOM 0 HA VAL A 85 3.417 0.334 -12.027 1.00 0.00 H new ATOM 0 HB VAL A 85 3.366 -2.049 -13.926 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.924 -1.940 -13.651 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.749 -2.280 -12.111 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.121 -0.648 -12.443 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.037 -0.583 -15.389 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.282 0.766 -14.254 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.672 0.064 -15.115 1.00 0.00 H new ATOM 1360 N TYR A 86 3.264 -1.491 -10.294 1.00 0.00 N ATOM 1361 CA TYR A 86 3.356 -2.413 -9.168 1.00 0.00 C ATOM 1362 C TYR A 86 2.088 -3.252 -9.046 1.00 0.00 C ATOM 1363 O TYR A 86 0.979 -2.756 -9.247 1.00 0.00 O ATOM 1364 CB TYR A 86 3.598 -1.643 -7.869 1.00 0.00 C ATOM 1365 CG TYR A 86 4.796 -0.722 -7.925 1.00 0.00 C ATOM 1366 CD1 TYR A 86 5.939 -1.080 -8.630 1.00 0.00 C ATOM 1367 CD2 TYR A 86 4.786 0.505 -7.274 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.037 -0.243 -8.684 1.00 0.00 C ATOM 1369 CE2 TYR A 86 5.878 1.349 -7.324 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.001 0.971 -8.030 1.00 0.00 C ATOM 1371 OH TYR A 86 8.091 1.809 -8.081 1.00 0.00 O ATOM 0 H TYR A 86 2.541 -0.778 -10.197 1.00 0.00 H new ATOM 0 HA TYR A 86 4.197 -3.082 -9.348 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.710 -1.056 -7.633 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.735 -2.355 -7.055 1.00 0.00 H new ATOM 0 HD1 TYR A 86 5.969 -2.029 -9.145 1.00 0.00 H new ATOM 0 HD2 TYR A 86 3.909 0.804 -6.719 1.00 0.00 H new ATOM 0 HE1 TYR A 86 7.918 -0.537 -9.235 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.853 2.300 -6.813 1.00 0.00 H new ATOM 0 HH TYR A 86 7.902 2.623 -7.569 1.00 0.00 H new ATOM 1381 N PHE A 87 2.259 -4.528 -8.713 1.00 0.00 N ATOM 1382 CA PHE A 87 1.129 -5.437 -8.564 1.00 0.00 C ATOM 1383 C PHE A 87 0.972 -5.874 -7.110 1.00 0.00 C ATOM 1384 O PHE A 87 1.708 -6.733 -6.625 1.00 0.00 O ATOM 1385 CB PHE A 87 1.313 -6.664 -9.460 1.00 0.00 C ATOM 1386 CG PHE A 87 1.277 -6.345 -10.927 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.295 -5.613 -11.516 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.224 -6.778 -11.717 1.00 0.00 C ATOM 1389 CE1 PHE A 87 2.264 -5.318 -12.866 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.187 -6.486 -13.068 1.00 0.00 C ATOM 1391 CZ PHE A 87 1.209 -5.756 -13.643 1.00 0.00 C ATOM 0 H PHE A 87 3.169 -4.955 -8.541 1.00 0.00 H new ATOM 0 HA PHE A 87 0.225 -4.907 -8.866 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.265 -7.138 -9.223 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.531 -7.389 -9.235 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.122 -5.269 -10.913 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.577 -7.350 -11.272 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.064 -4.746 -13.313 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.640 -6.828 -13.673 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.183 -5.528 -14.698 1.00 0.00 H new ATOM 1401 N VAL A 88 0.005 -5.276 -6.420 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.251 -5.603 -5.023 1.00 0.00 C ATOM 1403 C VAL A 88 -1.462 -6.519 -4.885 1.00 0.00 C ATOM 1404 O VAL A 88 -2.464 -6.348 -5.578 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.483 -4.333 -4.183 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.485 -4.667 -2.699 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.572 -3.284 -4.501 1.00 0.00 C ATOM 0 H VAL A 88 -0.613 -4.563 -6.806 1.00 0.00 H new ATOM 0 HA VAL A 88 0.634 -6.119 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.460 -3.922 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.650 -3.757 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.281 -5.381 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.475 -5.103 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.393 -2.393 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.561 -3.682 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.519 -3.024 -5.558 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.362 -7.492 -3.985 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.457 -8.421 -3.772 1.00 0.00 C ATOM 1419 C GLY A 89 -1.992 -9.862 -3.713 1.00 0.00 C ATOM 1420 O GLY A 89 -1.197 -10.298 -4.546 1.00 0.00 O ATOM 0 H GLY A 89 -0.543 -7.654 -3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.967 -8.169 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.185 -8.310 -4.576 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.486 -10.602 -2.726 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.113 -12.002 -2.561 1.00 0.00 C ATOM 1426 C GLU A 90 -3.250 -12.797 -1.926 1.00 0.00 C ATOM 1427 O GLU A 90 -3.509 -12.682 -0.729 1.00 0.00 O ATOM 1428 CB GLU A 90 -0.852 -12.119 -1.701 1.00 0.00 C ATOM 1429 CG GLU A 90 -0.624 -13.513 -1.142 1.00 0.00 C ATOM 1430 CD GLU A 90 0.676 -13.627 -0.371 1.00 0.00 C ATOM 1431 OE1 GLU A 90 0.845 -12.884 0.619 1.00 0.00 O ATOM 1432 OE2 GLU A 90 1.524 -14.459 -0.756 1.00 0.00 O ATOM 0 H GLU A 90 -3.145 -10.256 -2.029 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.911 -12.416 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.013 -11.830 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.919 -11.412 -0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.454 -13.778 -0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.621 -14.233 -1.961 1.00 0.00 H new ATOM 1439 N ASN A 91 -3.926 -13.603 -2.739 1.00 0.00 N ATOM 1440 CA ASN A 91 -5.036 -14.417 -2.258 1.00 0.00 C ATOM 1441 C ASN A 91 -4.736 -15.903 -2.429 1.00 0.00 C ATOM 1442 O ASN A 91 -4.684 -16.411 -3.549 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.322 -14.055 -3.005 1.00 0.00 C ATOM 1444 CG ASN A 91 -7.568 -14.458 -2.240 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -7.504 -14.778 -1.053 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -8.709 -14.443 -2.918 1.00 0.00 N ATOM 0 H ASN A 91 -3.724 -13.710 -3.733 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.170 -14.212 -1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.343 -12.981 -3.188 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.323 -14.544 -3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.580 -14.704 -2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.715 -14.171 -3.901 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.478 -12.885 1.747 1.00 0.00 N ATOM 1647 CA GLY A 107 -5.849 -13.015 1.292 1.00 0.00 C ATOM 1648 C GLY A 107 -6.270 -11.874 0.387 1.00 0.00 C ATOM 1649 O GLY A 107 -5.549 -10.885 0.245 1.00 0.00 O ATOM 0 HA2 GLY A 107 -5.964 -13.959 0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.513 -13.054 2.155 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.439 -12.011 -0.230 1.00 0.00 N ATOM 1654 CA LEU A 108 -7.955 -10.983 -1.128 1.00 0.00 C ATOM 1655 C LEU A 108 -8.779 -9.954 -0.362 1.00 0.00 C ATOM 1656 O LEU A 108 -8.731 -8.760 -0.659 1.00 0.00 O ATOM 1657 CB LEU A 108 -8.807 -11.620 -2.227 1.00 0.00 C ATOM 1658 CG LEU A 108 -9.683 -10.664 -3.037 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -8.876 -10.016 -4.152 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -10.889 -11.396 -3.605 1.00 0.00 C ATOM 0 H LEU A 108 -8.047 -12.823 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.106 -10.474 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.144 -12.144 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.451 -12.372 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.041 -9.879 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.516 -9.339 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.046 -9.456 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.488 -10.788 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.501 -10.699 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.552 -12.203 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.480 -11.811 -2.789 1.00 0.00 H new ATOM 1672 N ASP A 109 -9.533 -10.424 0.626 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.366 -9.544 1.437 1.00 0.00 C ATOM 1674 C ASP A 109 -9.547 -8.385 1.997 1.00 0.00 C ATOM 1675 O ASP A 109 -9.931 -7.222 1.871 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.010 -10.328 2.581 1.00 0.00 C ATOM 1677 CG ASP A 109 -11.739 -9.430 3.560 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -12.544 -8.589 3.108 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -11.504 -9.566 4.779 1.00 0.00 O ATOM 0 H ASP A 109 -9.584 -11.409 0.884 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.150 -9.137 0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.710 -11.056 2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.241 -10.889 3.111 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.417 -8.710 2.616 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.543 -7.696 3.195 1.00 0.00 C ATOM 1686 C VAL A 110 -7.096 -6.689 2.142 1.00 0.00 C ATOM 1687 O VAL A 110 -6.854 -5.522 2.448 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.298 -8.332 3.843 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.518 -9.142 2.819 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.419 -7.260 4.469 1.00 0.00 C ATOM 0 H VAL A 110 -8.085 -9.668 2.730 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.121 -7.181 3.963 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.625 -9.009 4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.642 -9.584 3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.153 -9.934 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.199 -8.490 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.544 -7.726 4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.098 -6.557 3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.984 -6.727 5.234 1.00 0.00 H new ATOM 1700 N ALA A 111 -6.989 -7.149 0.900 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.574 -6.287 -0.200 1.00 0.00 C ATOM 1702 C ALA A 111 -7.671 -5.292 -0.563 1.00 0.00 C ATOM 1703 O ALA A 111 -7.431 -4.087 -0.626 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.196 -7.125 -1.413 1.00 0.00 C ATOM 0 H ALA A 111 -7.184 -8.113 0.630 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.700 -5.721 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.888 -6.469 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.373 -7.791 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.056 -7.716 -1.729 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.874 -5.805 -0.801 1.00 0.00 N ATOM 1711 CA GLN A 112 -10.007 -4.960 -1.158 1.00 0.00 C ATOM 1712 C GLN A 112 -9.984 -3.656 -0.368 1.00 0.00 C ATOM 1713 O GLN A 112 -10.381 -2.606 -0.873 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.322 -5.700 -0.907 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.613 -6.787 -1.929 1.00 0.00 C ATOM 1716 CD GLN A 112 -12.557 -7.849 -1.399 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.176 -7.677 -0.349 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -12.671 -8.955 -2.125 1.00 0.00 N ATOM 0 H GLN A 112 -9.089 -6.801 -0.753 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.930 -4.722 -2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.294 -6.146 0.087 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.141 -4.980 -0.911 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.045 -6.335 -2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.677 -7.256 -2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.139 -9.055 -2.989 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.291 -9.705 -1.818 1.00 0.00 H new ATOM 1727 N SER A 113 -9.519 -3.731 0.875 1.00 0.00 N ATOM 1728 CA SER A 113 -9.449 -2.557 1.737 1.00 0.00 C ATOM 1729 C SER A 113 -8.295 -1.648 1.324 1.00 0.00 C ATOM 1730 O SER A 113 -8.505 -0.502 0.926 1.00 0.00 O ATOM 1731 CB SER A 113 -9.282 -2.980 3.198 1.00 0.00 C ATOM 1732 OG SER A 113 -9.413 -1.870 4.068 1.00 0.00 O ATOM 0 H SER A 113 -9.185 -4.592 1.308 1.00 0.00 H new ATOM 0 HA SER A 113 -10.382 -2.003 1.631 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.029 -3.733 3.449 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.304 -3.442 3.337 1.00 0.00 H new ATOM 0 HG SER A 113 -9.304 -2.167 4.996 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.077 -2.168 1.422 1.00 0.00 N ATOM 1739 CA TRP A 114 -5.889 -1.403 1.059 1.00 0.00 C ATOM 1740 C TRP A 114 -6.081 -0.701 -0.280 1.00 0.00 C ATOM 1741 O TRP A 114 -5.571 0.398 -0.493 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.666 -2.321 0.997 1.00 0.00 C ATOM 1743 CG TRP A 114 -3.995 -2.507 2.324 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.154 -3.557 3.182 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.061 -1.617 2.944 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.374 -3.374 4.299 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.693 -2.191 4.176 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.497 -0.392 2.577 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.790 -1.580 5.042 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.601 0.213 3.437 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.254 -0.381 4.658 1.00 0.00 C ATOM 0 H TRP A 114 -6.886 -3.115 1.749 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.728 -0.645 1.825 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -4.970 -3.294 0.612 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.947 -1.909 0.289 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.798 -4.407 3.009 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.312 -4.014 5.091 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.757 0.073 1.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.522 -2.036 5.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -1.160 1.160 3.164 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.550 0.117 5.308 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.821 -1.343 -1.179 1.00 0.00 N ATOM 1763 CA GLU A 115 -7.080 -0.777 -2.499 1.00 0.00 C ATOM 1764 C GLU A 115 -7.861 0.528 -2.387 1.00 0.00 C ATOM 1765 O GLU A 115 -7.538 1.517 -3.046 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.853 -1.775 -3.363 1.00 0.00 C ATOM 1767 CG GLU A 115 -8.108 -1.286 -4.778 1.00 0.00 C ATOM 1768 CD GLU A 115 -9.212 -0.249 -4.847 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -10.368 -0.593 -4.523 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -8.921 0.905 -5.225 1.00 0.00 O ATOM 0 H GLU A 115 -7.251 -2.254 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.120 -0.566 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.297 -2.712 -3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.808 -1.993 -2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.189 -0.861 -5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.372 -2.134 -5.410 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.893 0.524 -1.550 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.722 1.707 -1.350 1.00 0.00 C ATOM 1779 C LYS A 116 -8.992 2.747 -0.505 1.00 0.00 C ATOM 1780 O LYS A 116 -8.889 3.911 -0.890 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.041 1.323 -0.676 1.00 0.00 C ATOM 1782 CG LYS A 116 -11.021 1.480 0.834 1.00 0.00 C ATOM 1783 CD LYS A 116 -12.400 1.267 1.435 1.00 0.00 C ATOM 1784 CE LYS A 116 -13.242 2.531 1.361 1.00 0.00 C ATOM 1785 NZ LYS A 116 -14.629 2.305 1.855 1.00 0.00 N ATOM 0 H LYS A 116 -9.176 -0.286 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 116 -9.933 2.141 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -11.842 1.939 -1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.277 0.288 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -10.321 0.765 1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -10.660 2.476 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -12.907 0.459 0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -12.301 0.955 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -12.770 3.316 1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.277 2.884 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.170 3.191 1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.089 1.574 1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -14.598 1.993 2.847 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.485 2.318 0.646 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.762 3.211 1.542 1.00 0.00 C ATOM 1801 C ALA A 117 -6.805 4.110 0.767 1.00 0.00 C ATOM 1802 O ALA A 117 -6.852 5.335 0.891 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.003 2.408 2.588 1.00 0.00 C ATOM 0 H ALA A 117 -8.562 1.357 0.980 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.490 3.847 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.467 3.088 3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.706 1.813 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.291 1.747 2.093 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.939 3.496 -0.032 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.973 4.242 -0.828 1.00 0.00 C ATOM 1811 C ILE A 118 -5.672 5.166 -1.818 1.00 0.00 C ATOM 1812 O ILE A 118 -5.228 6.290 -2.055 1.00 0.00 O ATOM 1813 CB ILE A 118 -4.031 3.299 -1.599 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.265 2.400 -0.627 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -3.066 4.101 -2.460 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.647 1.186 -1.285 1.00 0.00 C ATOM 0 H ILE A 118 -5.887 2.484 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.385 4.839 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.631 2.666 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.479 2.983 -0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.942 2.071 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.407 3.420 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.629 4.702 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.470 4.756 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.120 0.595 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.431 0.580 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.944 1.507 -2.054 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.770 4.686 -2.393 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.532 5.469 -3.358 1.00 0.00 C ATOM 1830 C ARG A 119 -8.159 6.691 -2.693 1.00 0.00 C ATOM 1831 O ARG A 119 -8.266 7.755 -3.303 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.623 4.608 -3.998 1.00 0.00 C ATOM 1833 CG ARG A 119 -9.144 5.164 -5.313 1.00 0.00 C ATOM 1834 CD ARG A 119 -10.300 6.127 -5.093 1.00 0.00 C ATOM 1835 NE ARG A 119 -11.576 5.428 -4.959 1.00 0.00 N ATOM 1836 CZ ARG A 119 -12.754 6.003 -5.171 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -12.819 7.279 -5.526 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -13.872 5.302 -5.029 1.00 0.00 N ATOM 0 H ARG A 119 -7.152 3.759 -2.207 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.846 5.810 -4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -8.230 3.605 -4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -9.454 4.511 -3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -8.337 5.676 -5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -9.469 4.343 -5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.114 6.718 -4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.355 6.825 -5.929 1.00 0.00 H new ATOM 0 HE ARG A 119 -11.561 4.445 -4.688 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.963 7.822 -5.637 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -13.725 7.718 -5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.827 4.320 -4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -14.776 5.745 -5.192 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.571 6.530 -1.440 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.187 7.620 -0.693 1.00 0.00 C ATOM 1854 C GLN A 120 -8.167 8.708 -0.375 1.00 0.00 C ATOM 1855 O GLN A 120 -8.414 9.891 -0.607 1.00 0.00 O ATOM 1856 CB GLN A 120 -9.808 7.092 0.602 1.00 0.00 C ATOM 1857 CG GLN A 120 -10.463 8.173 1.447 1.00 0.00 C ATOM 1858 CD GLN A 120 -11.113 7.619 2.700 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -10.647 7.860 3.814 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -12.197 6.872 2.524 1.00 0.00 N ATOM 0 H GLN A 120 -8.489 5.656 -0.921 1.00 0.00 H new ATOM 0 HA GLN A 120 -9.971 8.054 -1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.552 6.334 0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.035 6.600 1.192 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -9.714 8.913 1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.215 8.690 0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -12.549 6.698 1.583 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -12.678 6.473 3.330 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.020 8.299 0.158 1.00 0.00 N ATOM 1870 CA ALA A 121 -5.962 9.239 0.506 1.00 0.00 C ATOM 1871 C ALA A 121 -5.685 10.204 -0.642 1.00 0.00 C ATOM 1872 O ALA A 121 -5.635 11.420 -0.446 1.00 0.00 O ATOM 1873 CB ALA A 121 -4.693 8.489 0.884 1.00 0.00 C ATOM 0 H ALA A 121 -6.800 7.323 0.358 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.296 9.822 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.911 9.203 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.892 7.845 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.365 7.881 0.041 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.506 9.657 -1.839 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.233 10.470 -3.019 1.00 0.00 C ATOM 1881 C LEU A 122 -6.186 11.659 -3.093 1.00 0.00 C ATOM 1882 O LEU A 122 -5.778 12.774 -3.415 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.359 9.622 -4.286 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.384 8.450 -4.409 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -4.812 7.515 -5.529 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -2.969 8.956 -4.646 1.00 0.00 C ATOM 0 H LEU A 122 -5.545 8.654 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.214 10.849 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.375 9.230 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.224 10.273 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.397 7.892 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.106 6.687 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.808 7.126 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.829 8.061 -6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.289 8.108 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -2.940 9.538 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.663 9.585 -3.810 1.00 0.00 H new