USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 552 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 10 CYS SG : rot 180:sc= 0.0546 USER MOD Set 1.2: A 81 THR OG1 : rot -84:sc=-0.00155 USER MOD Single : A 8 GLN : amide:sc= -1.54 K(o=-1.5,f=-4.2!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.067) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN :FLIP amide:sc= 0.457 F(o=-0.23,f=0.46) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -121:sc= -0.165 (180deg=-1.3!) USER MOD Single : A 47 GLN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00844 USER MOD Single : A 54 LYS NZ :NH3+ -126:sc= -0.0341 (180deg=-0.789) USER MOD Single : A 56 ASN : amide:sc= -1.3 K(o=-1.3,f=-7.2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : +bothHN:sc= -3.31 K(o=-3.3,f=-8.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 7 8.432 9.922 -7.511 1.00 0.00 N ATOM 83 CA VAL A 7 8.352 8.571 -8.051 1.00 0.00 C ATOM 84 C VAL A 7 7.231 7.777 -7.388 1.00 0.00 C ATOM 85 O VAL A 7 7.196 7.635 -6.166 1.00 0.00 O ATOM 86 CB VAL A 7 9.679 7.812 -7.865 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.730 8.326 -8.838 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.166 7.932 -6.428 1.00 0.00 C ATOM 0 HA VAL A 7 8.143 8.670 -9.116 1.00 0.00 H new ATOM 0 HB VAL A 7 9.506 6.757 -8.078 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.661 7.778 -8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.381 8.182 -9.860 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.902 9.387 -8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.105 7.390 -6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.322 8.983 -6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.420 7.510 -5.755 1.00 0.00 H new ATOM 98 N GLN A 8 6.316 7.262 -8.203 1.00 0.00 N ATOM 99 CA GLN A 8 5.193 6.480 -7.697 1.00 0.00 C ATOM 100 C GLN A 8 5.174 5.090 -8.323 1.00 0.00 C ATOM 101 O GLN A 8 5.685 4.887 -9.426 1.00 0.00 O ATOM 102 CB GLN A 8 3.874 7.200 -7.986 1.00 0.00 C ATOM 103 CG GLN A 8 3.536 8.281 -6.971 1.00 0.00 C ATOM 104 CD GLN A 8 2.254 9.016 -7.308 1.00 0.00 C ATOM 105 OE1 GLN A 8 1.155 8.506 -7.082 1.00 0.00 O ATOM 106 NE2 GLN A 8 2.387 10.219 -7.851 1.00 0.00 N ATOM 0 H GLN A 8 6.330 7.372 -9.217 1.00 0.00 H new ATOM 0 HA GLN A 8 5.312 6.372 -6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.924 7.648 -8.978 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.067 6.468 -8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.443 7.830 -5.983 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.357 8.996 -6.919 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.317 10.602 -8.020 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.559 10.761 -8.099 1.00 0.00 H new ATOM 115 N ARG A 9 4.584 4.133 -7.614 1.00 0.00 N ATOM 116 CA ARG A 9 4.500 2.762 -8.103 1.00 0.00 C ATOM 117 C ARG A 9 3.137 2.156 -7.793 1.00 0.00 C ATOM 118 O ARG A 9 2.660 2.220 -6.659 1.00 0.00 O ATOM 119 CB ARG A 9 5.605 1.908 -7.477 1.00 0.00 C ATOM 120 CG ARG A 9 5.955 0.673 -8.293 1.00 0.00 C ATOM 121 CD ARG A 9 7.456 0.443 -8.342 1.00 0.00 C ATOM 122 NE ARG A 9 7.909 -0.447 -7.276 1.00 0.00 N ATOM 123 CZ ARG A 9 9.182 -0.570 -6.902 1.00 0.00 C ATOM 124 NH1 ARG A 9 10.129 0.137 -7.505 1.00 0.00 N ATOM 125 NH2 ARG A 9 9.506 -1.403 -5.922 1.00 0.00 N ATOM 0 H ARG A 9 4.157 4.282 -6.700 1.00 0.00 H new ATOM 0 HA ARG A 9 4.631 2.780 -9.185 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.500 2.519 -7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.292 1.598 -6.480 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.466 -0.200 -7.861 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.570 0.785 -9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.726 0.018 -9.309 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.972 1.400 -8.259 1.00 0.00 H new ATOM 0 HE ARG A 9 7.210 -1.007 -6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.884 0.779 -8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.102 0.039 -7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.781 -1.948 -5.456 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.480 -1.498 -5.635 1.00 0.00 H new ATOM 139 N CYS A 10 2.512 1.567 -8.809 1.00 0.00 N ATOM 140 CA CYS A 10 1.203 0.947 -8.644 1.00 0.00 C ATOM 141 C CYS A 10 1.342 -0.513 -8.228 1.00 0.00 C ATOM 142 O CYS A 10 1.736 -1.362 -9.027 1.00 0.00 O ATOM 143 CB CYS A 10 0.402 1.045 -9.946 1.00 0.00 C ATOM 144 SG CYS A 10 0.161 2.735 -10.537 1.00 0.00 S ATOM 0 H CYS A 10 2.891 1.507 -9.754 1.00 0.00 H new ATOM 0 HA CYS A 10 0.671 1.481 -7.857 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.913 0.471 -10.719 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.573 0.581 -9.796 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.524 2.715 -11.642 1.00 0.00 H new ATOM 150 N VAL A 11 1.017 -0.799 -6.971 1.00 0.00 N ATOM 151 CA VAL A 11 1.107 -2.156 -6.450 1.00 0.00 C ATOM 152 C VAL A 11 -0.248 -2.856 -6.499 1.00 0.00 C ATOM 153 O VAL A 11 -1.288 -2.235 -6.283 1.00 0.00 O ATOM 154 CB VAL A 11 1.633 -2.165 -4.998 1.00 0.00 C ATOM 155 CG1 VAL A 11 0.700 -1.384 -4.084 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.811 -3.594 -4.500 1.00 0.00 C ATOM 0 H VAL A 11 0.689 -0.108 -6.296 1.00 0.00 H new ATOM 0 HA VAL A 11 1.810 -2.695 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 11 2.608 -1.677 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.089 -1.403 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.633 -0.352 -4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.291 -1.837 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.182 -3.579 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.853 -4.112 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.526 -4.115 -5.137 1.00 0.00 H new ATOM 166 N ILE A 12 -0.227 -4.154 -6.786 1.00 0.00 N ATOM 167 CA ILE A 12 -1.451 -4.941 -6.866 1.00 0.00 C ATOM 168 C ILE A 12 -1.445 -6.069 -5.840 1.00 0.00 C ATOM 169 O ILE A 12 -0.896 -7.143 -6.088 1.00 0.00 O ATOM 170 CB ILE A 12 -1.643 -5.542 -8.271 1.00 0.00 C ATOM 171 CG1 ILE A 12 -1.429 -4.471 -9.343 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.028 -6.161 -8.398 1.00 0.00 C ATOM 173 CD1 ILE A 12 -2.457 -3.362 -9.301 1.00 0.00 C ATOM 0 H ILE A 12 0.626 -4.683 -6.967 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.278 -4.263 -6.654 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.902 -6.327 -8.418 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.435 -4.040 -9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.454 -4.942 -10.326 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.148 -6.581 -9.396 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.143 -6.951 -7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.785 -5.395 -8.233 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.244 -2.639 -10.088 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.451 -3.782 -9.453 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.417 -2.866 -8.331 1.00 0.00 H new ATOM 185 N ILE A 13 -2.058 -5.818 -4.688 1.00 0.00 N ATOM 186 CA ILE A 13 -2.121 -6.814 -3.624 1.00 0.00 C ATOM 187 C ILE A 13 -3.314 -7.746 -3.813 1.00 0.00 C ATOM 188 O ILE A 13 -4.441 -7.294 -4.013 1.00 0.00 O ATOM 189 CB ILE A 13 -2.218 -6.151 -2.236 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.145 -5.070 -2.082 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.087 -7.196 -1.139 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.673 -3.771 -1.513 1.00 0.00 C ATOM 0 H ILE A 13 -2.518 -4.935 -4.467 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.198 -7.392 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.196 -5.678 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.353 -5.446 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.695 -4.875 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.158 -6.712 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.887 -7.930 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.123 -7.696 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.858 -3.052 -1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.445 -3.372 -2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.097 -3.952 -0.525 1.00 0.00 H new ATOM 204 N GLN A 14 -3.055 -9.047 -3.746 1.00 0.00 N ATOM 205 CA GLN A 14 -4.108 -10.043 -3.908 1.00 0.00 C ATOM 206 C GLN A 14 -4.512 -10.630 -2.559 1.00 0.00 C ATOM 207 O GLN A 14 -3.667 -11.097 -1.796 1.00 0.00 O ATOM 208 CB GLN A 14 -3.642 -11.161 -4.845 1.00 0.00 C ATOM 209 CG GLN A 14 -4.731 -11.668 -5.775 1.00 0.00 C ATOM 210 CD GLN A 14 -4.785 -13.183 -5.840 1.00 0.00 C ATOM 211 OE1 GLN A 14 -5.806 -13.793 -5.520 1.00 0.00 O ATOM 212 NE2 GLN A 14 -3.684 -13.796 -6.256 1.00 0.00 N ATOM 0 H GLN A 14 -2.127 -9.436 -3.581 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.976 -9.550 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.806 -10.798 -5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.270 -11.993 -4.247 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.696 -11.288 -5.440 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.563 -11.271 -6.776 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.861 -13.250 -6.511 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.660 -14.814 -6.321 1.00 0.00 H new ATOM 221 N LYS A 15 -5.808 -10.602 -2.270 1.00 0.00 N ATOM 222 CA LYS A 15 -6.322 -11.131 -1.013 1.00 0.00 C ATOM 223 C LYS A 15 -6.108 -12.638 -0.929 1.00 0.00 C ATOM 224 O LYS A 15 -6.419 -13.373 -1.865 1.00 0.00 O ATOM 225 CB LYS A 15 -7.809 -10.806 -0.865 1.00 0.00 C ATOM 226 CG LYS A 15 -8.349 -11.063 0.531 1.00 0.00 C ATOM 227 CD LYS A 15 -9.841 -10.782 0.616 1.00 0.00 C ATOM 228 CE LYS A 15 -10.650 -11.858 -0.091 1.00 0.00 C ATOM 229 NZ LYS A 15 -12.016 -11.382 -0.446 1.00 0.00 N ATOM 0 H LYS A 15 -6.522 -10.218 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.773 -10.658 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.971 -9.759 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.376 -11.401 -1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.157 -12.099 0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.819 -10.436 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.143 -10.726 1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.056 -9.811 0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.128 -12.170 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.727 -12.735 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.535 -12.144 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.524 -11.108 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.944 -10.560 -1.079 1.00 0.00 H new ATOM 243 N ASP A 16 -5.573 -13.091 0.200 1.00 0.00 N ATOM 244 CA ASP A 16 -5.318 -14.511 0.408 1.00 0.00 C ATOM 245 C ASP A 16 -6.384 -15.127 1.310 1.00 0.00 C ATOM 246 O ASP A 16 -7.405 -14.503 1.597 1.00 0.00 O ATOM 247 CB ASP A 16 -3.932 -14.717 1.022 1.00 0.00 C ATOM 248 CG ASP A 16 -2.856 -13.935 0.295 1.00 0.00 C ATOM 249 OD1 ASP A 16 -2.689 -14.146 -0.925 1.00 0.00 O ATOM 250 OD2 ASP A 16 -2.180 -13.110 0.945 1.00 0.00 O ATOM 0 H ASP A 16 -5.308 -12.495 0.984 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.355 -15.008 -0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.953 -14.414 2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.683 -15.778 1.002 1.00 0.00 H new ATOM 255 N ASP A 17 -6.140 -16.355 1.754 1.00 0.00 N ATOM 256 CA ASP A 17 -7.079 -17.055 2.622 1.00 0.00 C ATOM 257 C ASP A 17 -7.310 -16.276 3.914 1.00 0.00 C ATOM 258 O ASP A 17 -8.386 -16.347 4.508 1.00 0.00 O ATOM 259 CB ASP A 17 -6.559 -18.458 2.946 1.00 0.00 C ATOM 260 CG ASP A 17 -6.670 -19.402 1.766 1.00 0.00 C ATOM 261 OD1 ASP A 17 -7.578 -19.206 0.932 1.00 0.00 O ATOM 262 OD2 ASP A 17 -5.848 -20.338 1.675 1.00 0.00 O ATOM 0 H ASP A 17 -5.299 -16.886 1.527 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.029 -17.140 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.517 -18.393 3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.120 -18.865 3.787 1.00 0.00 H new ATOM 267 N ASN A 18 -6.296 -15.533 4.342 1.00 0.00 N ATOM 268 CA ASN A 18 -6.388 -14.741 5.562 1.00 0.00 C ATOM 269 C ASN A 18 -6.838 -13.315 5.256 1.00 0.00 C ATOM 270 O ASN A 18 -7.484 -12.668 6.080 1.00 0.00 O ATOM 271 CB ASN A 18 -5.040 -14.722 6.286 1.00 0.00 C ATOM 272 CG ASN A 18 -5.170 -15.056 7.759 1.00 0.00 C ATOM 273 OD1 ASN A 18 -4.657 -14.340 8.618 1.00 0.00 O ATOM 274 ND2 ASN A 18 -5.857 -16.153 8.058 1.00 0.00 N ATOM 0 H ASN A 18 -5.399 -15.463 3.861 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.133 -15.204 6.210 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.366 -15.436 5.812 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.587 -13.737 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.976 -16.431 9.032 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.266 -16.718 7.313 1.00 0.00 H new ATOM 281 N GLY A 19 -6.490 -12.831 4.068 1.00 0.00 N ATOM 282 CA GLY A 19 -6.868 -11.485 3.676 1.00 0.00 C ATOM 283 C GLY A 19 -5.675 -10.647 3.258 1.00 0.00 C ATOM 284 O GLY A 19 -4.981 -10.979 2.296 1.00 0.00 O ATOM 0 H GLY A 19 -5.953 -13.346 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.579 -11.536 2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.378 -10.997 4.507 1.00 0.00 H new ATOM 288 N PHE A 20 -5.437 -9.558 3.980 1.00 0.00 N ATOM 289 CA PHE A 20 -4.321 -8.668 3.681 1.00 0.00 C ATOM 290 C PHE A 20 -3.321 -8.643 4.832 1.00 0.00 C ATOM 291 O PHE A 20 -3.641 -8.203 5.936 1.00 0.00 O ATOM 292 CB PHE A 20 -4.831 -7.253 3.402 1.00 0.00 C ATOM 293 CG PHE A 20 -5.940 -7.202 2.389 1.00 0.00 C ATOM 294 CD1 PHE A 20 -5.666 -7.347 1.038 1.00 0.00 C ATOM 295 CD2 PHE A 20 -7.253 -7.009 2.788 1.00 0.00 C ATOM 296 CE1 PHE A 20 -6.683 -7.302 0.104 1.00 0.00 C ATOM 297 CE2 PHE A 20 -8.273 -6.963 1.857 1.00 0.00 C ATOM 298 CZ PHE A 20 -7.987 -7.110 0.514 1.00 0.00 C ATOM 0 H PHE A 20 -6.003 -9.270 4.778 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.815 -9.046 2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.182 -6.812 4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.001 -6.639 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.647 -7.497 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.481 -6.893 3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.458 -7.417 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.293 -6.812 2.179 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.783 -7.075 -0.215 1.00 0.00 H new ATOM 308 N GLY A 21 -2.109 -9.121 4.567 1.00 0.00 N ATOM 309 CA GLY A 21 -1.081 -9.146 5.591 1.00 0.00 C ATOM 310 C GLY A 21 -0.606 -7.759 5.973 1.00 0.00 C ATOM 311 O GLY A 21 -0.446 -7.453 7.155 1.00 0.00 O ATOM 0 H GLY A 21 -1.821 -9.491 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.468 -9.650 6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.233 -9.731 5.235 1.00 0.00 H new ATOM 315 N LEU A 22 -0.380 -6.916 4.971 1.00 0.00 N ATOM 316 CA LEU A 22 0.079 -5.552 5.208 1.00 0.00 C ATOM 317 C LEU A 22 -0.921 -4.780 6.063 1.00 0.00 C ATOM 318 O LEU A 22 -2.133 -4.901 5.880 1.00 0.00 O ATOM 319 CB LEU A 22 0.298 -4.826 3.880 1.00 0.00 C ATOM 320 CG LEU A 22 -0.959 -4.641 3.028 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.639 -3.321 3.362 1.00 0.00 C ATOM 322 CD2 LEU A 22 -0.614 -4.704 1.547 1.00 0.00 C ATOM 0 H LEU A 22 -0.507 -7.153 3.987 1.00 0.00 H new ATOM 0 HA LEU A 22 1.025 -5.604 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.726 -3.845 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.035 -5.380 3.298 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.651 -5.452 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.531 -3.206 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.921 -3.313 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.953 -2.498 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.520 -4.570 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.097 -3.914 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.171 -5.673 1.318 1.00 0.00 H new ATOM 334 N THR A 23 -0.406 -3.986 6.997 1.00 0.00 N ATOM 335 CA THR A 23 -1.255 -3.194 7.880 1.00 0.00 C ATOM 336 C THR A 23 -1.097 -1.705 7.596 1.00 0.00 C ATOM 337 O THR A 23 0.015 -1.215 7.395 1.00 0.00 O ATOM 338 CB THR A 23 -0.916 -3.486 9.343 1.00 0.00 C ATOM 339 OG1 THR A 23 -0.535 -4.839 9.509 1.00 0.00 O ATOM 340 CG2 THR A 23 -2.065 -3.214 10.289 1.00 0.00 C ATOM 0 H THR A 23 0.594 -3.874 7.162 1.00 0.00 H new ATOM 0 HA THR A 23 -2.292 -3.472 7.692 1.00 0.00 H new ATOM 0 HB THR A 23 -0.096 -2.812 9.589 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.321 -5.005 10.451 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.758 -3.442 11.310 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.351 -2.164 10.222 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.915 -3.840 10.018 1.00 0.00 H new ATOM 348 N VAL A 24 -2.216 -0.989 7.578 1.00 0.00 N ATOM 349 CA VAL A 24 -2.204 0.445 7.317 1.00 0.00 C ATOM 350 C VAL A 24 -2.988 1.207 8.380 1.00 0.00 C ATOM 351 O VAL A 24 -4.029 0.744 8.848 1.00 0.00 O ATOM 352 CB VAL A 24 -2.796 0.770 5.932 1.00 0.00 C ATOM 353 CG1 VAL A 24 -1.922 0.193 4.829 1.00 0.00 C ATOM 354 CG2 VAL A 24 -4.220 0.246 5.823 1.00 0.00 C ATOM 0 H VAL A 24 -3.144 -1.379 7.741 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.161 0.759 7.343 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.822 1.853 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.356 0.433 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.922 0.622 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.861 -0.889 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.621 0.485 4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.222 -0.835 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.839 0.712 6.590 1.00 0.00 H new ATOM 364 N SER A 25 -2.485 2.376 8.756 1.00 0.00 N ATOM 365 CA SER A 25 -3.141 3.202 9.763 1.00 0.00 C ATOM 366 C SER A 25 -2.881 4.684 9.508 1.00 0.00 C ATOM 367 O SER A 25 -1.741 5.093 9.283 1.00 0.00 O ATOM 368 CB SER A 25 -2.654 2.821 11.162 1.00 0.00 C ATOM 369 OG SER A 25 -3.069 3.776 12.124 1.00 0.00 O ATOM 0 H SER A 25 -1.625 2.774 8.379 1.00 0.00 H new ATOM 0 HA SER A 25 -4.214 3.024 9.698 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.041 1.838 11.430 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.567 2.747 11.164 1.00 0.00 H new ATOM 0 HG SER A 25 -2.747 3.509 13.010 1.00 0.00 H new ATOM 375 N GLY A 26 -3.943 5.483 9.545 1.00 0.00 N ATOM 376 CA GLY A 26 -3.803 6.909 9.317 1.00 0.00 C ATOM 377 C GLY A 26 -5.122 7.648 9.422 1.00 0.00 C ATOM 378 O GLY A 26 -6.154 7.155 8.968 1.00 0.00 O ATOM 0 H GLY A 26 -4.896 5.169 9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.101 7.322 10.041 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.375 7.075 8.328 1.00 0.00 H new ATOM 382 N ASP A 27 -5.089 8.836 10.022 1.00 0.00 N ATOM 383 CA ASP A 27 -6.291 9.643 10.182 1.00 0.00 C ATOM 384 C ASP A 27 -6.709 10.262 8.852 1.00 0.00 C ATOM 385 O ASP A 27 -7.676 9.823 8.229 1.00 0.00 O ATOM 386 CB ASP A 27 -6.061 10.740 11.225 1.00 0.00 C ATOM 387 CG ASP A 27 -7.303 11.573 11.474 1.00 0.00 C ATOM 388 OD1 ASP A 27 -7.853 12.128 10.499 1.00 0.00 O ATOM 389 OD2 ASP A 27 -7.726 11.671 12.646 1.00 0.00 O ATOM 0 H ASP A 27 -4.243 9.259 10.404 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.095 8.992 10.526 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.739 10.285 12.162 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.252 11.390 10.892 1.00 0.00 H new ATOM 394 N ASN A 28 -5.972 11.279 8.415 1.00 0.00 N ATOM 395 CA ASN A 28 -6.268 11.948 7.154 1.00 0.00 C ATOM 396 C ASN A 28 -5.700 11.157 5.977 1.00 0.00 C ATOM 397 O ASN A 28 -6.433 10.774 5.067 1.00 0.00 O ATOM 398 CB ASN A 28 -5.699 13.369 7.160 1.00 0.00 C ATOM 399 CG ASN A 28 -6.756 14.415 6.860 1.00 0.00 C ATOM 400 OD1 ASN A 28 -7.329 15.013 7.771 1.00 0.00 O ATOM 401 ND2 ASN A 28 -7.020 14.640 5.579 1.00 0.00 N ATOM 0 H ASN A 28 -5.167 11.657 8.915 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.351 12.003 7.041 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.253 13.575 8.133 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.900 13.441 6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.722 15.332 5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.521 14.121 4.857 1.00 0.00 H new ATOM 408 N PRO A 29 -4.380 10.898 5.984 1.00 0.00 N ATOM 409 CA PRO A 29 -3.720 10.148 4.918 1.00 0.00 C ATOM 410 C PRO A 29 -3.869 8.642 5.097 1.00 0.00 C ATOM 411 O PRO A 29 -4.659 8.180 5.921 1.00 0.00 O ATOM 412 CB PRO A 29 -2.259 10.564 5.068 1.00 0.00 C ATOM 413 CG PRO A 29 -2.093 10.820 6.528 1.00 0.00 C ATOM 414 CD PRO A 29 -3.427 11.314 7.033 1.00 0.00 C ATOM 0 HA PRO A 29 -4.143 10.358 3.936 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.585 9.780 4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.038 11.455 4.481 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.794 9.911 7.049 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.313 11.560 6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.677 10.873 7.998 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.428 12.396 7.167 1.00 0.00 H new ATOM 422 N VAL A 30 -3.105 7.878 4.323 1.00 0.00 N ATOM 423 CA VAL A 30 -3.154 6.423 4.403 1.00 0.00 C ATOM 424 C VAL A 30 -1.849 5.804 3.910 1.00 0.00 C ATOM 425 O VAL A 30 -1.570 5.789 2.712 1.00 0.00 O ATOM 426 CB VAL A 30 -4.332 5.855 3.584 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.205 6.237 2.117 1.00 0.00 C ATOM 428 CG2 VAL A 30 -4.423 4.344 3.749 1.00 0.00 C ATOM 0 H VAL A 30 -2.446 8.242 3.635 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.299 6.164 5.452 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.255 6.292 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.047 5.825 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.203 7.323 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.274 5.837 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.260 3.964 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.498 3.884 3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.576 4.101 4.801 1.00 0.00 H new ATOM 438 N PHE A 31 -1.052 5.299 4.846 1.00 0.00 N ATOM 439 CA PHE A 31 0.225 4.679 4.509 1.00 0.00 C ATOM 440 C PHE A 31 0.331 3.289 5.125 1.00 0.00 C ATOM 441 O PHE A 31 -0.313 2.994 6.131 1.00 0.00 O ATOM 442 CB PHE A 31 1.383 5.554 4.992 1.00 0.00 C ATOM 443 CG PHE A 31 1.202 6.074 6.390 1.00 0.00 C ATOM 444 CD1 PHE A 31 0.513 7.252 6.622 1.00 0.00 C ATOM 445 CD2 PHE A 31 1.724 5.382 7.472 1.00 0.00 C ATOM 446 CE1 PHE A 31 0.346 7.732 7.907 1.00 0.00 C ATOM 447 CE2 PHE A 31 1.560 5.857 8.759 1.00 0.00 C ATOM 448 CZ PHE A 31 0.870 7.035 8.976 1.00 0.00 C ATOM 0 H PHE A 31 -1.267 5.307 5.843 1.00 0.00 H new ATOM 0 HA PHE A 31 0.281 4.582 3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.307 4.978 4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.498 6.398 4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.101 7.802 5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.265 4.462 7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.194 8.652 8.074 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.970 5.309 9.594 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.741 7.409 9.981 1.00 0.00 H new ATOM 458 N VAL A 32 1.147 2.436 4.513 1.00 0.00 N ATOM 459 CA VAL A 32 1.335 1.076 5.003 1.00 0.00 C ATOM 460 C VAL A 32 2.501 1.005 5.982 1.00 0.00 C ATOM 461 O VAL A 32 3.638 1.328 5.634 1.00 0.00 O ATOM 462 CB VAL A 32 1.591 0.086 3.848 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.411 -1.347 4.325 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.675 0.384 2.667 1.00 0.00 C ATOM 0 H VAL A 32 1.688 2.663 3.678 1.00 0.00 H new ATOM 0 HA VAL A 32 0.413 0.795 5.512 1.00 0.00 H new ATOM 0 HB VAL A 32 2.621 0.208 3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.595 -2.032 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.115 -1.553 5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.393 -1.484 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.873 -0.326 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.365 0.295 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.861 1.397 2.309 1.00 0.00 H new ATOM 474 N GLN A 33 2.214 0.579 7.207 1.00 0.00 N ATOM 475 CA GLN A 33 3.238 0.465 8.239 1.00 0.00 C ATOM 476 C GLN A 33 3.889 -0.915 8.208 1.00 0.00 C ATOM 477 O GLN A 33 5.066 -1.065 8.537 1.00 0.00 O ATOM 478 CB GLN A 33 2.634 0.730 9.620 1.00 0.00 C ATOM 479 CG GLN A 33 2.874 2.143 10.127 1.00 0.00 C ATOM 480 CD GLN A 33 1.748 2.642 11.010 1.00 0.00 C ATOM 481 OE1 GLN A 33 1.639 2.079 12.208 1.00 0.00 O flip ATOM 482 NE2 GLN A 33 0.983 3.525 10.621 1.00 0.00 N flip ATOM 0 H GLN A 33 1.279 0.306 7.510 1.00 0.00 H new ATOM 0 HA GLN A 33 4.006 1.213 8.039 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.561 0.545 9.580 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.054 0.021 10.333 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.809 2.171 10.686 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.990 2.816 9.277 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.102 3.931 9.693 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.230 3.851 11.227 1.00 0.00 H new ATOM 491 N SER A 34 3.115 -1.920 7.811 1.00 0.00 N ATOM 492 CA SER A 34 3.616 -3.287 7.738 1.00 0.00 C ATOM 493 C SER A 34 3.246 -3.933 6.408 1.00 0.00 C ATOM 494 O SER A 34 2.170 -3.683 5.862 1.00 0.00 O ATOM 495 CB SER A 34 3.059 -4.118 8.895 1.00 0.00 C ATOM 496 OG SER A 34 3.651 -5.405 8.931 1.00 0.00 O ATOM 0 H SER A 34 2.139 -1.813 7.535 1.00 0.00 H new ATOM 0 HA SER A 34 4.703 -3.253 7.814 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.243 -3.603 9.838 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.978 -4.214 8.790 1.00 0.00 H new ATOM 0 HG SER A 34 3.279 -5.915 9.680 1.00 0.00 H new ATOM 502 N VAL A 35 4.143 -4.765 5.889 1.00 0.00 N ATOM 503 CA VAL A 35 3.911 -5.447 4.621 1.00 0.00 C ATOM 504 C VAL A 35 4.231 -6.934 4.731 1.00 0.00 C ATOM 505 O VAL A 35 5.216 -7.322 5.360 1.00 0.00 O ATOM 506 CB VAL A 35 4.757 -4.835 3.489 1.00 0.00 C ATOM 507 CG1 VAL A 35 4.321 -3.405 3.210 1.00 0.00 C ATOM 508 CG2 VAL A 35 6.236 -4.890 3.837 1.00 0.00 C ATOM 0 H VAL A 35 5.038 -4.983 6.327 1.00 0.00 H new ATOM 0 HA VAL A 35 2.855 -5.320 4.383 1.00 0.00 H new ATOM 0 HB VAL A 35 4.599 -5.422 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.930 -2.989 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.273 -3.396 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.448 -2.804 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.817 -4.453 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.415 -4.329 4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.537 -5.927 3.982 1.00 0.00 H new ATOM 518 N LYS A 36 3.393 -7.761 4.116 1.00 0.00 N ATOM 519 CA LYS A 36 3.588 -9.207 4.145 1.00 0.00 C ATOM 520 C LYS A 36 4.900 -9.592 3.470 1.00 0.00 C ATOM 521 O LYS A 36 5.024 -9.523 2.247 1.00 0.00 O ATOM 522 CB LYS A 36 2.418 -9.911 3.456 1.00 0.00 C ATOM 523 CG LYS A 36 2.226 -11.352 3.906 1.00 0.00 C ATOM 524 CD LYS A 36 0.752 -11.711 4.013 1.00 0.00 C ATOM 525 CE LYS A 36 0.482 -13.117 3.503 1.00 0.00 C ATOM 526 NZ LYS A 36 -0.825 -13.642 3.984 1.00 0.00 N ATOM 0 H LYS A 36 2.573 -7.456 3.592 1.00 0.00 H new ATOM 0 HA LYS A 36 3.632 -9.524 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.502 -9.353 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.578 -9.894 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.715 -12.023 3.200 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.709 -11.500 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.432 -11.632 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.160 -10.996 3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.494 -13.116 2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.282 -13.781 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.971 -14.603 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.827 -13.667 5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.592 -13.023 3.651 1.00 0.00 H new ATOM 540 N GLU A 37 5.875 -9.999 4.275 1.00 0.00 N ATOM 541 CA GLU A 37 7.179 -10.395 3.756 1.00 0.00 C ATOM 542 C GLU A 37 7.100 -11.753 3.065 1.00 0.00 C ATOM 543 O GLU A 37 6.562 -12.712 3.617 1.00 0.00 O ATOM 544 CB GLU A 37 8.208 -10.446 4.887 1.00 0.00 C ATOM 545 CG GLU A 37 9.646 -10.510 4.400 1.00 0.00 C ATOM 546 CD GLU A 37 10.637 -10.025 5.439 1.00 0.00 C ATOM 547 OE1 GLU A 37 10.530 -8.854 5.860 1.00 0.00 O ATOM 548 OE2 GLU A 37 11.521 -10.815 5.831 1.00 0.00 O ATOM 0 H GLU A 37 5.787 -10.063 5.289 1.00 0.00 H new ATOM 0 HA GLU A 37 7.491 -9.651 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.086 -9.565 5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.006 -11.316 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.887 -11.537 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.747 -9.907 3.498 1.00 0.00 H new ATOM 555 N ASP A 38 7.639 -11.826 1.852 1.00 0.00 N ATOM 556 CA ASP A 38 7.628 -13.065 1.084 1.00 0.00 C ATOM 557 C ASP A 38 6.201 -13.541 0.835 1.00 0.00 C ATOM 558 O ASP A 38 5.944 -14.741 0.729 1.00 0.00 O ATOM 559 CB ASP A 38 8.423 -14.150 1.816 1.00 0.00 C ATOM 560 CG ASP A 38 9.304 -14.953 0.881 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.762 -15.770 0.107 1.00 0.00 O ATOM 562 OD2 ASP A 38 10.539 -14.764 0.921 1.00 0.00 O ATOM 0 H ASP A 38 8.089 -11.041 1.380 1.00 0.00 H new ATOM 0 HA ASP A 38 8.097 -12.869 0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.042 -13.687 2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.732 -14.822 2.325 1.00 0.00 H new ATOM 567 N GLY A 39 5.274 -12.593 0.742 1.00 0.00 N ATOM 568 CA GLY A 39 3.883 -12.935 0.507 1.00 0.00 C ATOM 569 C GLY A 39 3.268 -12.121 -0.615 1.00 0.00 C ATOM 570 O GLY A 39 3.978 -11.600 -1.475 1.00 0.00 O ATOM 0 H GLY A 39 5.461 -11.594 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.808 -13.995 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.313 -12.775 1.422 1.00 0.00 H new ATOM 574 N ALA A 40 1.943 -12.011 -0.605 1.00 0.00 N ATOM 575 CA ALA A 40 1.233 -11.255 -1.630 1.00 0.00 C ATOM 576 C ALA A 40 1.655 -9.790 -1.624 1.00 0.00 C ATOM 577 O ALA A 40 1.801 -9.172 -2.679 1.00 0.00 O ATOM 578 CB ALA A 40 -0.270 -11.375 -1.423 1.00 0.00 C ATOM 0 H ALA A 40 1.341 -12.435 0.100 1.00 0.00 H new ATOM 0 HA ALA A 40 1.491 -11.674 -2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.790 -10.807 -2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.563 -12.423 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.535 -10.982 -0.442 1.00 0.00 H new ATOM 584 N ALA A 41 1.849 -9.239 -0.430 1.00 0.00 N ATOM 585 CA ALA A 41 2.253 -7.845 -0.288 1.00 0.00 C ATOM 586 C ALA A 41 3.653 -7.619 -0.847 1.00 0.00 C ATOM 587 O ALA A 41 3.887 -6.673 -1.599 1.00 0.00 O ATOM 588 CB ALA A 41 2.192 -7.423 1.172 1.00 0.00 C ATOM 0 H ALA A 41 1.733 -9.737 0.453 1.00 0.00 H new ATOM 0 HA ALA A 41 1.558 -7.232 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.496 -6.380 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.173 -7.537 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.863 -8.049 1.760 1.00 0.00 H new ATOM 594 N MET A 42 4.583 -8.494 -0.474 1.00 0.00 N ATOM 595 CA MET A 42 5.961 -8.389 -0.939 1.00 0.00 C ATOM 596 C MET A 42 6.057 -8.703 -2.429 1.00 0.00 C ATOM 597 O MET A 42 6.774 -8.031 -3.170 1.00 0.00 O ATOM 598 CB MET A 42 6.862 -9.338 -0.147 1.00 0.00 C ATOM 599 CG MET A 42 8.326 -9.257 -0.542 1.00 0.00 C ATOM 600 SD MET A 42 9.240 -8.041 0.425 1.00 0.00 S ATOM 601 CE MET A 42 9.004 -6.570 -0.569 1.00 0.00 C ATOM 0 H MET A 42 4.407 -9.283 0.148 1.00 0.00 H new ATOM 0 HA MET A 42 6.295 -7.364 -0.779 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.768 -9.113 0.915 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.512 -10.361 -0.288 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.787 -10.237 -0.416 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.399 -9.004 -1.600 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.974 -6.181 -0.878 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.414 -6.818 -1.451 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.480 -5.815 0.017 1.00 0.00 H new ATOM 611 N ARG A 43 5.331 -9.729 -2.860 1.00 0.00 N ATOM 612 CA ARG A 43 5.335 -10.134 -4.261 1.00 0.00 C ATOM 613 C ARG A 43 4.669 -9.074 -5.134 1.00 0.00 C ATOM 614 O ARG A 43 5.011 -8.919 -6.306 1.00 0.00 O ATOM 615 CB ARG A 43 4.619 -11.476 -4.428 1.00 0.00 C ATOM 616 CG ARG A 43 4.858 -12.129 -5.779 1.00 0.00 C ATOM 617 CD ARG A 43 4.788 -13.646 -5.688 1.00 0.00 C ATOM 618 NE ARG A 43 3.410 -14.134 -5.684 1.00 0.00 N ATOM 619 CZ ARG A 43 2.720 -14.415 -4.580 1.00 0.00 C ATOM 620 NH1 ARG A 43 3.267 -14.253 -3.380 1.00 0.00 N ATOM 621 NH2 ARG A 43 1.473 -14.859 -4.675 1.00 0.00 N ATOM 0 H ARG A 43 4.732 -10.295 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 43 6.371 -10.243 -4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.950 -12.155 -3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.548 -11.327 -4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.115 -11.772 -6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.835 -11.831 -6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.325 -14.084 -6.529 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.292 -13.978 -4.780 1.00 0.00 H new ATOM 0 HE ARG A 43 2.948 -14.268 -6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.224 -13.910 -3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.730 -14.471 -2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.045 -14.984 -5.592 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.943 -15.075 -3.831 1.00 0.00 H new ATOM 635 N ALA A 44 3.716 -8.350 -4.557 1.00 0.00 N ATOM 636 CA ALA A 44 3.002 -7.306 -5.284 1.00 0.00 C ATOM 637 C ALA A 44 3.866 -6.058 -5.455 1.00 0.00 C ATOM 638 O ALA A 44 3.561 -5.192 -6.276 1.00 0.00 O ATOM 639 CB ALA A 44 1.707 -6.958 -4.568 1.00 0.00 C ATOM 0 H ALA A 44 3.420 -8.467 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 44 2.767 -7.689 -6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.184 -6.178 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.076 -7.844 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.931 -6.602 -3.563 1.00 0.00 H new ATOM 645 N GLY A 45 4.942 -5.967 -4.678 1.00 0.00 N ATOM 646 CA GLY A 45 5.826 -4.819 -4.769 1.00 0.00 C ATOM 647 C GLY A 45 5.484 -3.742 -3.758 1.00 0.00 C ATOM 648 O GLY A 45 5.421 -2.560 -4.097 1.00 0.00 O ATOM 0 H GLY A 45 5.217 -6.667 -3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.855 -5.144 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.771 -4.400 -5.774 1.00 0.00 H new ATOM 652 N VAL A 46 5.263 -4.149 -2.511 1.00 0.00 N ATOM 653 CA VAL A 46 4.926 -3.211 -1.448 1.00 0.00 C ATOM 654 C VAL A 46 6.101 -3.019 -0.494 1.00 0.00 C ATOM 655 O VAL A 46 6.842 -3.959 -0.209 1.00 0.00 O ATOM 656 CB VAL A 46 3.700 -3.684 -0.645 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.213 -2.587 0.290 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.586 -4.128 -1.580 1.00 0.00 C ATOM 0 H VAL A 46 5.312 -5.123 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 46 4.690 -2.261 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 46 3.998 -4.539 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.346 -2.942 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.009 -2.322 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.934 -1.709 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.729 -4.459 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.291 -3.294 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.939 -4.951 -2.202 1.00 0.00 H new ATOM 668 N GLN A 47 6.263 -1.795 -0.002 1.00 0.00 N ATOM 669 CA GLN A 47 7.347 -1.480 0.922 1.00 0.00 C ATOM 670 C GLN A 47 6.808 -1.210 2.322 1.00 0.00 C ATOM 671 O GLN A 47 5.615 -0.969 2.503 1.00 0.00 O ATOM 672 CB GLN A 47 8.133 -0.265 0.423 1.00 0.00 C ATOM 673 CG GLN A 47 8.733 -0.455 -0.961 1.00 0.00 C ATOM 674 CD GLN A 47 7.914 0.216 -2.048 1.00 0.00 C ATOM 675 OE1 GLN A 47 8.026 1.421 -2.270 1.00 0.00 O ATOM 676 NE2 GLN A 47 7.086 -0.565 -2.732 1.00 0.00 N ATOM 0 H GLN A 47 5.658 -1.005 -0.227 1.00 0.00 H new ATOM 0 HA GLN A 47 8.013 -2.342 0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.474 0.603 0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.933 -0.045 1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.746 -0.052 -0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.812 -1.521 -1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.026 -1.560 -2.514 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.510 -0.170 -3.476 1.00 0.00 H new ATOM 685 N THR A 48 7.694 -1.255 3.311 1.00 0.00 N ATOM 686 CA THR A 48 7.306 -1.017 4.697 1.00 0.00 C ATOM 687 C THR A 48 7.375 0.470 5.034 1.00 0.00 C ATOM 688 O THR A 48 8.446 1.076 4.997 1.00 0.00 O ATOM 689 CB THR A 48 8.207 -1.809 5.646 1.00 0.00 C ATOM 690 OG1 THR A 48 8.814 -2.895 4.971 1.00 0.00 O ATOM 691 CG2 THR A 48 7.471 -2.366 6.844 1.00 0.00 C ATOM 0 H THR A 48 8.686 -1.454 3.179 1.00 0.00 H new ATOM 0 HA THR A 48 6.276 -1.352 4.821 1.00 0.00 H new ATOM 0 HB THR A 48 8.953 -1.097 5.998 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.388 -3.388 5.594 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.168 -2.916 7.476 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.033 -1.547 7.415 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.681 -3.036 6.506 1.00 0.00 H new ATOM 699 N GLY A 49 6.226 1.050 5.365 1.00 0.00 N ATOM 700 CA GLY A 49 6.177 2.459 5.706 1.00 0.00 C ATOM 701 C GLY A 49 6.070 3.351 4.484 1.00 0.00 C ATOM 702 O GLY A 49 6.656 4.433 4.445 1.00 0.00 O ATOM 0 H GLY A 49 5.328 0.569 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.324 2.641 6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.072 2.724 6.268 1.00 0.00 H new ATOM 706 N ASP A 50 5.318 2.898 3.485 1.00 0.00 N ATOM 707 CA ASP A 50 5.136 3.666 2.259 1.00 0.00 C ATOM 708 C ASP A 50 3.838 4.463 2.304 1.00 0.00 C ATOM 709 O ASP A 50 2.892 4.089 3.000 1.00 0.00 O ATOM 710 CB ASP A 50 5.139 2.737 1.043 1.00 0.00 C ATOM 711 CG ASP A 50 3.979 1.760 1.059 1.00 0.00 C ATOM 712 OD1 ASP A 50 4.009 0.818 1.878 1.00 0.00 O ATOM 713 OD2 ASP A 50 3.041 1.938 0.253 1.00 0.00 O ATOM 0 H ASP A 50 4.826 2.005 3.501 1.00 0.00 H new ATOM 0 HA ASP A 50 5.967 4.366 2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.095 3.335 0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.077 2.183 1.015 1.00 0.00 H new ATOM 718 N ARG A 51 3.796 5.564 1.559 1.00 0.00 N ATOM 719 CA ARG A 51 2.611 6.412 1.517 1.00 0.00 C ATOM 720 C ARG A 51 1.727 6.056 0.326 1.00 0.00 C ATOM 721 O ARG A 51 2.219 5.828 -0.779 1.00 0.00 O ATOM 722 CB ARG A 51 3.016 7.886 1.442 1.00 0.00 C ATOM 723 CG ARG A 51 1.834 8.841 1.427 1.00 0.00 C ATOM 724 CD ARG A 51 2.233 10.228 1.906 1.00 0.00 C ATOM 725 NE ARG A 51 1.446 11.277 1.261 1.00 0.00 N ATOM 726 CZ ARG A 51 1.336 12.517 1.732 1.00 0.00 C ATOM 727 NH1 ARG A 51 1.960 12.869 2.850 1.00 0.00 N ATOM 728 NH2 ARG A 51 0.600 13.409 1.085 1.00 0.00 N ATOM 0 H ARG A 51 4.568 5.889 0.977 1.00 0.00 H new ATOM 0 HA ARG A 51 2.042 6.243 2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.653 8.123 2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.613 8.045 0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.430 8.906 0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.040 8.449 2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.103 10.290 2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.291 10.391 1.702 1.00 0.00 H new ATOM 0 HE ARG A 51 0.952 11.045 0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.528 12.187 3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.871 13.821 3.205 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.118 13.145 0.226 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.516 14.359 1.446 1.00 0.00 H new ATOM 742 N ILE A 52 0.418 6.008 0.558 1.00 0.00 N ATOM 743 CA ILE A 52 -0.533 5.681 -0.497 1.00 0.00 C ATOM 744 C ILE A 52 -1.179 6.941 -1.063 1.00 0.00 C ATOM 745 O ILE A 52 -1.870 7.669 -0.351 1.00 0.00 O ATOM 746 CB ILE A 52 -1.640 4.736 0.013 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.030 3.558 0.775 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.488 4.242 -1.148 1.00 0.00 C ATOM 749 CD1 ILE A 52 -1.980 2.925 1.768 1.00 0.00 C ATOM 0 H ILE A 52 -0.007 6.191 1.467 1.00 0.00 H new ATOM 0 HA ILE A 52 0.029 5.177 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.282 5.290 0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.707 2.801 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.139 3.899 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.265 3.576 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.950 5.093 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.858 3.703 -1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.481 2.097 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.284 3.668 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.860 2.553 1.243 1.00 0.00 H new ATOM 761 N ILE A 53 -0.950 7.191 -2.347 1.00 0.00 N ATOM 762 CA ILE A 53 -1.510 8.363 -3.008 1.00 0.00 C ATOM 763 C ILE A 53 -2.977 8.145 -3.364 1.00 0.00 C ATOM 764 O ILE A 53 -3.808 9.036 -3.186 1.00 0.00 O ATOM 765 CB ILE A 53 -0.729 8.713 -4.290 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.773 8.749 -4.004 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.198 10.048 -4.848 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.159 9.725 -2.914 1.00 0.00 C ATOM 0 H ILE A 53 -0.381 6.598 -2.951 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.428 9.191 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.920 7.942 -5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.104 7.750 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.303 9.012 -4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.637 10.281 -5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.261 9.991 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.033 10.830 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.238 9.696 -2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.859 10.732 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.658 9.451 -1.986 1.00 0.00 H new ATOM 780 N LYS A 54 -3.288 6.956 -3.868 1.00 0.00 N ATOM 781 CA LYS A 54 -4.656 6.621 -4.247 1.00 0.00 C ATOM 782 C LYS A 54 -4.942 5.142 -4.014 1.00 0.00 C ATOM 783 O LYS A 54 -4.057 4.299 -4.151 1.00 0.00 O ATOM 784 CB LYS A 54 -4.902 6.977 -5.715 1.00 0.00 C ATOM 785 CG LYS A 54 -3.976 6.253 -6.678 1.00 0.00 C ATOM 786 CD LYS A 54 -4.664 5.967 -8.004 1.00 0.00 C ATOM 787 CE LYS A 54 -4.898 7.242 -8.795 1.00 0.00 C ATOM 788 NZ LYS A 54 -6.239 7.830 -8.521 1.00 0.00 N ATOM 0 H LYS A 54 -2.612 6.208 -4.024 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.332 7.203 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.935 6.740 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.780 8.052 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.086 6.857 -6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.643 5.317 -6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.054 5.280 -8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.617 5.471 -7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.125 7.970 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.806 7.030 -9.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.746 7.972 -9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.784 7.185 -7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.125 8.745 -8.040 1.00 0.00 H new ATOM 802 N VAL A 55 -6.187 4.834 -3.659 1.00 0.00 N ATOM 803 CA VAL A 55 -6.590 3.457 -3.407 1.00 0.00 C ATOM 804 C VAL A 55 -7.688 3.020 -4.371 1.00 0.00 C ATOM 805 O VAL A 55 -8.815 3.508 -4.305 1.00 0.00 O ATOM 806 CB VAL A 55 -7.090 3.273 -1.961 1.00 0.00 C ATOM 807 CG1 VAL A 55 -7.316 1.801 -1.656 1.00 0.00 C ATOM 808 CG2 VAL A 55 -6.108 3.887 -0.974 1.00 0.00 C ATOM 0 H VAL A 55 -6.932 5.520 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.707 2.837 -3.560 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.044 3.790 -1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.669 1.692 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.062 1.398 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.380 1.256 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.478 3.747 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.137 3.402 -1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.004 4.952 -1.179 1.00 0.00 H new ATOM 818 N ASN A 56 -7.348 2.099 -5.267 1.00 0.00 N ATOM 819 CA ASN A 56 -8.305 1.596 -6.247 1.00 0.00 C ATOM 820 C ASN A 56 -8.846 2.728 -7.113 1.00 0.00 C ATOM 821 O ASN A 56 -10.040 2.785 -7.407 1.00 0.00 O ATOM 822 CB ASN A 56 -9.458 0.878 -5.543 1.00 0.00 C ATOM 823 CG ASN A 56 -9.106 -0.547 -5.162 1.00 0.00 C ATOM 824 OD1 ASN A 56 -7.961 -0.846 -4.820 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.091 -1.434 -5.218 1.00 0.00 N ATOM 0 H ASN A 56 -6.418 1.686 -5.335 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.786 0.888 -6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.735 1.433 -4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.331 0.871 -6.196 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.915 -2.408 -4.972 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.025 -1.142 -5.507 1.00 0.00 H new ATOM 832 N GLY A 57 -7.958 3.631 -7.518 1.00 0.00 N ATOM 833 CA GLY A 57 -8.364 4.752 -8.346 1.00 0.00 C ATOM 834 C GLY A 57 -9.274 5.715 -7.610 1.00 0.00 C ATOM 835 O GLY A 57 -10.107 6.381 -8.223 1.00 0.00 O ATOM 0 H GLY A 57 -6.965 3.606 -7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.478 5.285 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.876 4.378 -9.233 1.00 0.00 H new ATOM 839 N THR A 58 -9.112 5.788 -6.294 1.00 0.00 N ATOM 840 CA THR A 58 -9.926 6.676 -5.472 1.00 0.00 C ATOM 841 C THR A 58 -9.047 7.554 -4.585 1.00 0.00 C ATOM 842 O THR A 58 -8.703 7.176 -3.465 1.00 0.00 O ATOM 843 CB THR A 58 -10.893 5.864 -4.609 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.626 4.948 -5.402 1.00 0.00 O ATOM 845 CG2 THR A 58 -11.888 6.720 -3.857 1.00 0.00 C ATOM 0 H THR A 58 -8.425 5.243 -5.773 1.00 0.00 H new ATOM 0 HA THR A 58 -10.500 7.322 -6.137 1.00 0.00 H new ATOM 0 HB THR A 58 -10.266 5.344 -3.885 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.237 4.437 -4.831 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.543 6.081 -3.265 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.354 7.403 -3.197 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.484 7.293 -4.567 1.00 0.00 H new ATOM 945 N HIS A 65 -10.348 4.662 8.895 1.00 0.00 N ATOM 946 CA HIS A 65 -9.727 3.385 8.560 1.00 0.00 C ATOM 947 C HIS A 65 -10.777 2.366 8.129 1.00 0.00 C ATOM 948 O HIS A 65 -10.537 1.551 7.234 1.00 0.00 O ATOM 949 CB HIS A 65 -8.939 2.849 9.756 1.00 0.00 C ATOM 950 CG HIS A 65 -8.009 1.728 9.407 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.992 1.123 8.168 1.00 0.00 N ATOM 952 CD2 HIS A 65 -7.060 1.102 10.143 1.00 0.00 C ATOM 953 CE1 HIS A 65 -7.074 0.172 8.159 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.495 0.139 9.344 1.00 0.00 N ATOM 0 HA HIS A 65 -9.043 3.549 7.727 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.364 3.664 10.196 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.639 2.505 10.517 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.593 1.370 7.382 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.797 1.320 11.168 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.838 -0.470 7.323 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -5.749 -0.499 9.622 1.00 0.00 H new ATOM 963 N LEU A 66 -11.943 2.417 8.769 1.00 0.00 N ATOM 964 CA LEU A 66 -13.030 1.498 8.448 1.00 0.00 C ATOM 965 C LEU A 66 -13.373 1.564 6.965 1.00 0.00 C ATOM 966 O LEU A 66 -13.569 0.538 6.314 1.00 0.00 O ATOM 967 CB LEU A 66 -14.267 1.829 9.286 1.00 0.00 C ATOM 968 CG LEU A 66 -14.746 3.278 9.189 1.00 0.00 C ATOM 969 CD1 LEU A 66 -15.828 3.413 8.128 1.00 0.00 C ATOM 970 CD2 LEU A 66 -15.257 3.764 10.538 1.00 0.00 C ATOM 0 H LEU A 66 -12.158 3.083 9.511 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.702 0.485 8.682 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.081 1.172 8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.051 1.603 10.330 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.900 3.900 8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -16.157 4.451 8.073 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.429 3.107 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -16.675 2.778 8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -15.593 4.797 10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.089 3.138 10.859 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.455 3.706 11.273 1.00 0.00 H new ATOM 982 N GLU A 67 -13.427 2.781 6.431 1.00 0.00 N ATOM 983 CA GLU A 67 -13.731 2.978 5.020 1.00 0.00 C ATOM 984 C GLU A 67 -12.655 2.326 4.159 1.00 0.00 C ATOM 985 O GLU A 67 -12.958 1.644 3.180 1.00 0.00 O ATOM 986 CB GLU A 67 -13.834 4.471 4.697 1.00 0.00 C ATOM 987 CG GLU A 67 -15.106 4.847 3.956 1.00 0.00 C ATOM 988 CD GLU A 67 -15.133 4.316 2.536 1.00 0.00 C ATOM 989 OE1 GLU A 67 -14.785 3.133 2.339 1.00 0.00 O ATOM 990 OE2 GLU A 67 -15.499 5.083 1.623 1.00 0.00 O ATOM 0 H GLU A 67 -13.265 3.642 6.953 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.691 2.511 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.783 5.039 5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.973 4.764 4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.967 4.460 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.203 5.933 3.936 1.00 0.00 H new ATOM 997 N VAL A 68 -11.399 2.528 4.545 1.00 0.00 N ATOM 998 CA VAL A 68 -10.279 1.948 3.819 1.00 0.00 C ATOM 999 C VAL A 68 -10.352 0.429 3.871 1.00 0.00 C ATOM 1000 O VAL A 68 -10.204 -0.248 2.850 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.926 2.406 4.401 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.778 1.925 3.527 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -8.892 3.920 4.553 1.00 0.00 C ATOM 0 H VAL A 68 -11.134 3.088 5.355 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.347 2.291 2.787 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.810 1.963 5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.832 2.258 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.790 0.836 3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.888 2.336 2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.929 4.223 4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.032 4.387 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.690 4.236 5.225 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.593 -0.101 5.067 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.703 -1.541 5.257 1.00 0.00 C ATOM 1015 C VAL A 69 -11.867 -2.101 4.446 1.00 0.00 C ATOM 1016 O VAL A 69 -11.742 -3.135 3.790 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.902 -1.902 6.741 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -10.872 -3.410 6.935 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -9.847 -1.225 7.603 1.00 0.00 C ATOM 0 H VAL A 69 -10.716 0.447 5.919 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.769 -1.984 4.912 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.881 -1.539 7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.014 -3.644 7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.670 -3.868 6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.910 -3.800 6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.005 -1.492 8.648 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.856 -1.553 7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.924 -0.144 7.490 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.997 -1.403 4.492 1.00 0.00 N ATOM 1030 CA LYS A 70 -14.181 -1.826 3.755 1.00 0.00 C ATOM 1031 C LYS A 70 -13.934 -1.744 2.253 1.00 0.00 C ATOM 1032 O LYS A 70 -14.357 -2.615 1.495 1.00 0.00 O ATOM 1033 CB LYS A 70 -15.385 -0.963 4.139 1.00 0.00 C ATOM 1034 CG LYS A 70 -16.662 -1.760 4.349 1.00 0.00 C ATOM 1035 CD LYS A 70 -17.559 -1.111 5.392 1.00 0.00 C ATOM 1036 CE LYS A 70 -18.656 -2.057 5.852 1.00 0.00 C ATOM 1037 NZ LYS A 70 -19.970 -1.367 5.973 1.00 0.00 N ATOM 0 H LYS A 70 -13.117 -0.545 5.030 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.395 -2.862 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.153 -0.417 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.554 -0.221 3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -17.200 -1.842 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.412 -2.774 4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.959 -0.804 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.007 -0.208 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.743 -2.883 5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.383 -2.489 6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.691 -2.047 6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.894 -0.595 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.244 -0.977 5.049 1.00 0.00 H new ATOM 1051 N LEU A 71 -13.242 -0.690 1.830 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.934 -0.497 0.419 1.00 0.00 C ATOM 1053 C LEU A 71 -11.954 -1.559 -0.067 1.00 0.00 C ATOM 1054 O LEU A 71 -12.145 -2.156 -1.126 1.00 0.00 O ATOM 1055 CB LEU A 71 -12.355 0.898 0.181 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.785 1.567 -1.126 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.509 0.651 -2.310 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -14.260 1.941 -1.071 1.00 0.00 C ATOM 0 H LEU A 71 -12.885 0.042 2.444 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.861 -0.592 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.645 1.541 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.267 0.830 0.195 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.203 2.479 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.821 1.143 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.442 0.431 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.066 -0.278 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.550 2.416 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.858 1.042 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.429 2.633 -0.246 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.906 -1.796 0.718 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.905 -2.793 0.363 1.00 0.00 C ATOM 1072 C ILE A 72 -10.489 -4.199 0.446 1.00 0.00 C ATOM 1073 O ILE A 72 -10.153 -5.070 -0.355 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.659 -2.698 1.269 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.565 -3.645 0.771 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -9.022 -3.015 2.712 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -6.211 -3.383 1.394 1.00 0.00 C ATOM 0 H ILE A 72 -10.730 -1.313 1.599 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.600 -2.589 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.279 -1.677 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.861 -4.673 0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.482 -3.554 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.131 -2.943 3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.770 -2.304 3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.426 -4.026 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.484 -4.091 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.894 -2.367 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.279 -3.503 2.475 1.00 0.00 H new ATOM 1089 N LYS A 73 -11.372 -4.412 1.420 1.00 0.00 N ATOM 1090 CA LYS A 73 -12.006 -5.713 1.602 1.00 0.00 C ATOM 1091 C LYS A 73 -12.993 -5.996 0.474 1.00 0.00 C ATOM 1092 O LYS A 73 -13.184 -7.146 0.077 1.00 0.00 O ATOM 1093 CB LYS A 73 -12.727 -5.772 2.950 1.00 0.00 C ATOM 1094 CG LYS A 73 -11.840 -6.236 4.095 1.00 0.00 C ATOM 1095 CD LYS A 73 -12.510 -7.327 4.915 1.00 0.00 C ATOM 1096 CE LYS A 73 -11.647 -7.745 6.095 1.00 0.00 C ATOM 1097 NZ LYS A 73 -10.573 -8.693 5.691 1.00 0.00 N ATOM 0 H LYS A 73 -11.663 -3.702 2.092 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.226 -6.475 1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.122 -4.784 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.581 -6.445 2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.896 -6.607 3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.604 -5.389 4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.475 -6.972 5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.706 -8.192 4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.199 -6.861 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.274 -8.210 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.008 -8.953 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.001 -9.548 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.959 -8.241 4.984 1.00 0.00 H new ATOM 1111 N SER A 74 -13.618 -4.940 -0.038 1.00 0.00 N ATOM 1112 CA SER A 74 -14.587 -5.077 -1.120 1.00 0.00 C ATOM 1113 C SER A 74 -13.890 -5.426 -2.431 1.00 0.00 C ATOM 1114 O SER A 74 -13.772 -4.588 -3.327 1.00 0.00 O ATOM 1115 CB SER A 74 -15.388 -3.783 -1.281 1.00 0.00 C ATOM 1116 OG SER A 74 -16.583 -4.011 -2.007 1.00 0.00 O ATOM 0 H SER A 74 -13.471 -3.982 0.278 1.00 0.00 H new ATOM 0 HA SER A 74 -15.269 -5.888 -0.865 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.627 -3.375 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.782 -3.038 -1.797 1.00 0.00 H new ATOM 0 HG SER A 74 -17.078 -3.170 -2.095 1.00 0.00 H new ATOM 1122 N GLY A 75 -13.428 -6.667 -2.538 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.747 -7.106 -3.741 1.00 0.00 C ATOM 1124 C GLY A 75 -11.496 -7.906 -3.441 1.00 0.00 C ATOM 1125 O GLY A 75 -10.788 -7.624 -2.474 1.00 0.00 O ATOM 0 H GLY A 75 -13.513 -7.378 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.427 -7.712 -4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.483 -6.236 -4.343 1.00 0.00 H new ATOM 1129 N SER A 76 -11.222 -8.907 -4.270 1.00 0.00 N ATOM 1130 CA SER A 76 -10.048 -9.752 -4.086 1.00 0.00 C ATOM 1131 C SER A 76 -8.779 -9.020 -4.511 1.00 0.00 C ATOM 1132 O SER A 76 -7.701 -9.258 -3.966 1.00 0.00 O ATOM 1133 CB SER A 76 -10.195 -11.049 -4.885 1.00 0.00 C ATOM 1134 OG SER A 76 -11.557 -11.332 -5.150 1.00 0.00 O ATOM 0 H SER A 76 -11.797 -9.153 -5.076 1.00 0.00 H new ATOM 0 HA SER A 76 -9.969 -9.994 -3.026 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.648 -10.965 -5.824 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.750 -11.875 -4.330 1.00 0.00 H new ATOM 0 HG SER A 76 -11.624 -12.164 -5.663 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.913 -8.130 -5.489 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.776 -7.365 -5.987 1.00 0.00 C ATOM 1142 C TYR A 77 -7.877 -5.904 -5.563 1.00 0.00 C ATOM 1143 O TYR A 77 -8.929 -5.278 -5.696 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.699 -7.461 -7.511 1.00 0.00 C ATOM 1145 CG TYR A 77 -7.104 -8.759 -8.007 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -7.753 -9.969 -7.795 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -5.892 -8.776 -8.688 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -7.212 -11.158 -8.247 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.344 -9.960 -9.143 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.008 -11.149 -8.920 1.00 0.00 C ATOM 1151 OH TYR A 77 -5.466 -12.329 -9.371 1.00 0.00 O ATOM 0 H TYR A 77 -9.797 -7.921 -5.952 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.868 -7.788 -5.557 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.701 -7.349 -7.925 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.103 -6.630 -7.889 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.696 -9.981 -7.268 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.370 -7.847 -8.864 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.730 -12.090 -8.074 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.401 -9.955 -9.670 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.617 -12.147 -9.825 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.773 -5.365 -5.053 1.00 0.00 N ATOM 1162 CA VAL A 78 -6.735 -3.976 -4.611 1.00 0.00 C ATOM 1163 C VAL A 78 -5.534 -3.246 -5.204 1.00 0.00 C ATOM 1164 O VAL A 78 -4.386 -3.544 -4.869 1.00 0.00 O ATOM 1165 CB VAL A 78 -6.682 -3.878 -3.073 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.423 -4.538 -2.534 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -6.768 -2.427 -2.624 1.00 0.00 C ATOM 0 H VAL A 78 -5.894 -5.869 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.652 -3.503 -4.963 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.542 -4.410 -2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.406 -4.457 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.413 -5.590 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.546 -4.041 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.729 -2.380 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.932 -1.867 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.705 -1.993 -2.972 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.804 -2.291 -6.087 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.745 -1.518 -6.726 1.00 0.00 C ATOM 1179 C ALA A 79 -4.634 -0.128 -6.113 1.00 0.00 C ATOM 1180 O ALA A 79 -5.449 0.751 -6.392 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.996 -1.419 -8.223 1.00 0.00 C ATOM 0 H ALA A 79 -6.747 -2.033 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.800 -2.035 -6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.198 -0.840 -8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.017 -2.419 -8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.952 -0.927 -8.400 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.621 0.065 -5.275 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.402 1.350 -4.622 1.00 0.00 C ATOM 1189 C LEU A 80 -2.028 1.912 -4.966 1.00 0.00 C ATOM 1190 O LEU A 80 -1.008 1.254 -4.761 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.541 1.203 -3.105 1.00 0.00 C ATOM 1192 CG LEU A 80 -2.608 0.172 -2.466 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -1.359 0.847 -1.921 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -3.329 -0.593 -1.366 1.00 0.00 C ATOM 0 H LEU A 80 -2.938 -0.653 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.158 2.046 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.357 2.173 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.571 0.931 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.305 -0.539 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.708 0.098 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.831 1.346 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.642 1.582 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.649 -1.321 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.664 0.104 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.191 -1.110 -1.787 1.00 0.00 H new ATOM 1206 N THR A 81 -2.007 3.133 -5.489 1.00 0.00 N ATOM 1207 CA THR A 81 -0.757 3.786 -5.861 1.00 0.00 C ATOM 1208 C THR A 81 -0.062 4.363 -4.632 1.00 0.00 C ATOM 1209 O THR A 81 -0.662 5.118 -3.866 1.00 0.00 O ATOM 1210 CB THR A 81 -1.019 4.895 -6.881 1.00 0.00 C ATOM 1211 OG1 THR A 81 -1.811 4.412 -7.953 1.00 0.00 O ATOM 1212 CG2 THR A 81 0.246 5.478 -7.471 1.00 0.00 C ATOM 0 H THR A 81 -2.842 3.691 -5.665 1.00 0.00 H new ATOM 0 HA THR A 81 -0.104 3.038 -6.310 1.00 0.00 H new ATOM 0 HB THR A 81 -1.536 5.679 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.235 3.975 -8.614 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.012 6.259 -8.186 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.857 5.903 -6.674 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.807 4.693 -7.978 1.00 0.00 H new ATOM 1220 N VAL A 82 1.205 4.004 -4.449 1.00 0.00 N ATOM 1221 CA VAL A 82 1.978 4.485 -3.311 1.00 0.00 C ATOM 1222 C VAL A 82 3.187 5.298 -3.765 1.00 0.00 C ATOM 1223 O VAL A 82 3.522 5.323 -4.950 1.00 0.00 O ATOM 1224 CB VAL A 82 2.464 3.320 -2.429 1.00 0.00 C ATOM 1225 CG1 VAL A 82 1.284 2.613 -1.779 1.00 0.00 C ATOM 1226 CG2 VAL A 82 3.296 2.343 -3.245 1.00 0.00 C ATOM 0 H VAL A 82 1.717 3.382 -5.074 1.00 0.00 H new ATOM 0 HA VAL A 82 1.313 5.123 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 82 3.095 3.726 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.647 1.793 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.733 3.320 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.625 2.219 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.630 1.527 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.692 1.942 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.163 2.859 -3.657 1.00 0.00 H new ATOM 1236 N GLN A 83 3.838 5.959 -2.813 1.00 0.00 N ATOM 1237 CA GLN A 83 5.010 6.774 -3.111 1.00 0.00 C ATOM 1238 C GLN A 83 6.044 6.664 -1.995 1.00 0.00 C ATOM 1239 O GLN A 83 5.694 6.567 -0.818 1.00 0.00 O ATOM 1240 CB GLN A 83 4.604 8.236 -3.305 1.00 0.00 C ATOM 1241 CG GLN A 83 5.770 9.153 -3.639 1.00 0.00 C ATOM 1242 CD GLN A 83 5.369 10.614 -3.683 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.636 11.371 -2.751 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.721 11.017 -4.770 1.00 0.00 N ATOM 0 H GLN A 83 3.573 5.946 -1.828 1.00 0.00 H new ATOM 0 HA GLN A 83 5.456 6.404 -4.034 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.865 8.296 -4.104 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.120 8.594 -2.396 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.557 9.018 -2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.188 8.866 -4.604 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.521 10.355 -5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.424 11.989 -4.856 1.00 0.00 H new ATOM 1253 N GLY A 84 7.319 6.681 -2.371 1.00 0.00 N ATOM 1254 CA GLY A 84 8.384 6.583 -1.390 1.00 0.00 C ATOM 1255 C GLY A 84 9.734 6.972 -1.956 1.00 0.00 C ATOM 1256 O GLY A 84 10.238 6.326 -2.875 1.00 0.00 O ATOM 0 H GLY A 84 7.634 6.761 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.151 7.226 -0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.433 5.562 -1.013 1.00 0.00 H new