USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 668 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 60 GLN : amide:sc= -0.27 K(o=-0.27,f=-3.3) USER MOD Set 1.2: A 124 MET CE :methyl 138:sc=-0.00105 (180deg=-2.24!) USER MOD Set 2.1: A 116 HIS : no HD1:sc= -5.46! C(o=-11!,f=-11!) USER MOD Set 2.2: A 129 GLN : amide:sc= -5.79! C(o=-11!,f=-16!) USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= 0.0156 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.8 K(o=-0.8,f=-4.4!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 165:sc=-0.000157 (180deg=-0.111) USER MOD Single : A 79 LYS NZ :NH3+ 149:sc= -0.134 (180deg=-1.33!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0722) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -1.65! C(o=-1.6!,f=-2.9!) USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0784) USER MOD Single : A 97 CYS SG : rot 180:sc= -0.0109 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -15:sc= -0.883 USER MOD Single : A 103 CYS SG : rot 86:sc= -0.314 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -125:sc= -0.26 (180deg=-1.84!) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -6.63! C(o=-6.6!,f=-9.3!) USER MOD Single : A 119 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.468) USER MOD Single : A 120 THR OG1 : rot 180:sc=-0.000963 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ -145:sc= -1.36 (180deg=-3.19!) USER MOD ----------------------------------------------------------------- ATOM 156 N ILE A 54 1.848 10.427 -3.736 1.00 0.00 N ATOM 157 CA ILE A 54 3.026 9.709 -4.207 1.00 0.00 C ATOM 158 C ILE A 54 2.688 8.261 -4.544 1.00 0.00 C ATOM 159 O ILE A 54 2.281 7.488 -3.676 1.00 0.00 O ATOM 160 CB ILE A 54 4.155 9.731 -3.159 1.00 0.00 C ATOM 161 CG1 ILE A 54 4.769 11.129 -3.068 1.00 0.00 C ATOM 162 CG2 ILE A 54 5.220 8.701 -3.506 1.00 0.00 C ATOM 163 CD1 ILE A 54 5.813 11.261 -1.981 1.00 0.00 C ATOM 0 HA ILE A 54 3.368 10.219 -5.108 1.00 0.00 H new ATOM 0 HB ILE A 54 3.733 9.476 -2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.221 11.382 -4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.976 11.855 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.011 8.729 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.773 7.707 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.641 8.928 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.205 12.278 -1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.361 11.040 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.626 10.560 -2.170 1.00 0.00 H new ATOM 175 N LYS A 55 2.862 7.897 -5.810 1.00 0.00 N ATOM 176 CA LYS A 55 2.580 6.541 -6.263 1.00 0.00 C ATOM 177 C LYS A 55 3.689 5.583 -5.840 1.00 0.00 C ATOM 178 O LYS A 55 4.681 5.413 -6.550 1.00 0.00 O ATOM 179 CB LYS A 55 2.420 6.512 -7.785 1.00 0.00 C ATOM 180 CG LYS A 55 2.293 5.111 -8.357 1.00 0.00 C ATOM 181 CD LYS A 55 1.972 5.141 -9.842 1.00 0.00 C ATOM 182 CE LYS A 55 3.233 5.284 -10.681 1.00 0.00 C ATOM 183 NZ LYS A 55 2.940 5.206 -12.139 1.00 0.00 N ATOM 0 H LYS A 55 3.198 8.524 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 55 1.648 6.217 -5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.537 7.089 -8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.278 7.005 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.223 4.566 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.510 4.570 -7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.450 4.226 -10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.297 5.970 -10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.712 6.237 -10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.940 4.500 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.731 5.617 -12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.815 4.211 -12.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.069 5.735 -12.347 1.00 0.00 H new ATOM 197 N LEU A 56 3.515 4.959 -4.680 1.00 0.00 N ATOM 198 CA LEU A 56 4.501 4.017 -4.163 1.00 0.00 C ATOM 199 C LEU A 56 4.397 2.673 -4.877 1.00 0.00 C ATOM 200 O LEU A 56 3.333 2.056 -4.911 1.00 0.00 O ATOM 201 CB LEU A 56 4.309 3.822 -2.658 1.00 0.00 C ATOM 202 CG LEU A 56 4.789 4.969 -1.767 1.00 0.00 C ATOM 203 CD1 LEU A 56 4.212 4.834 -0.366 1.00 0.00 C ATOM 204 CD2 LEU A 56 6.309 5.007 -1.718 1.00 0.00 C ATOM 0 H LEU A 56 2.700 5.089 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 56 5.493 4.430 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.249 3.658 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.832 2.913 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 56 4.436 5.907 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.564 5.659 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.123 4.858 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.534 3.889 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.632 5.829 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.684 4.066 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.702 5.153 -2.724 1.00 0.00 H new ATOM 216 N PHE A 57 5.511 2.224 -5.447 1.00 0.00 N ATOM 217 CA PHE A 57 5.546 0.953 -6.160 1.00 0.00 C ATOM 218 C PHE A 57 5.883 -0.194 -5.211 1.00 0.00 C ATOM 219 O PHE A 57 6.808 -0.095 -4.405 1.00 0.00 O ATOM 220 CB PHE A 57 6.572 1.008 -7.294 1.00 0.00 C ATOM 221 CG PHE A 57 7.150 -0.332 -7.646 1.00 0.00 C ATOM 222 CD1 PHE A 57 8.235 -0.838 -6.947 1.00 0.00 C ATOM 223 CD2 PHE A 57 6.609 -1.088 -8.674 1.00 0.00 C ATOM 224 CE1 PHE A 57 8.770 -2.071 -7.269 1.00 0.00 C ATOM 225 CE2 PHE A 57 7.140 -2.322 -9.000 1.00 0.00 C ATOM 226 CZ PHE A 57 8.221 -2.814 -8.296 1.00 0.00 C ATOM 0 H PHE A 57 6.401 2.722 -5.429 1.00 0.00 H new ATOM 0 HA PHE A 57 4.557 0.775 -6.582 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.100 1.435 -8.179 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.381 1.680 -7.008 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.667 -0.262 -6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.762 -0.708 -9.227 1.00 0.00 H new ATOM 0 HE1 PHE A 57 9.617 -2.453 -6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.710 -2.900 -9.804 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.637 -3.778 -8.548 1.00 0.00 H new ATOM 236 N ILE A 58 5.125 -1.280 -5.313 1.00 0.00 N ATOM 237 CA ILE A 58 5.342 -2.446 -4.465 1.00 0.00 C ATOM 238 C ILE A 58 5.769 -3.655 -5.291 1.00 0.00 C ATOM 239 O ILE A 58 5.112 -4.018 -6.265 1.00 0.00 O ATOM 240 CB ILE A 58 4.076 -2.805 -3.667 1.00 0.00 C ATOM 241 CG1 ILE A 58 3.375 -1.535 -3.181 1.00 0.00 C ATOM 242 CG2 ILE A 58 4.428 -3.705 -2.491 1.00 0.00 C ATOM 243 CD1 ILE A 58 4.169 -0.763 -2.151 1.00 0.00 C ATOM 0 H ILE A 58 4.355 -1.377 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 58 6.139 -2.185 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 58 3.393 -3.346 -4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.179 -0.888 -4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.408 -1.804 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.522 -3.950 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.887 -4.622 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.127 -3.188 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.611 0.125 -1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.343 -1.393 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.126 -0.463 -2.579 1.00 0.00 H new ATOM 255 N GLY A 59 6.876 -4.276 -4.893 1.00 0.00 N ATOM 256 CA GLY A 59 7.371 -5.438 -5.606 1.00 0.00 C ATOM 257 C GLY A 59 7.424 -6.676 -4.732 1.00 0.00 C ATOM 258 O GLY A 59 6.967 -6.655 -3.589 1.00 0.00 O ATOM 0 H GLY A 59 7.438 -3.994 -4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.731 -5.632 -6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.368 -5.226 -5.991 1.00 0.00 H new ATOM 262 N GLN A 60 7.981 -7.756 -5.271 1.00 0.00 N ATOM 263 CA GLN A 60 8.089 -9.008 -4.532 1.00 0.00 C ATOM 264 C GLN A 60 6.724 -9.458 -4.021 1.00 0.00 C ATOM 265 O GLN A 60 6.546 -9.700 -2.827 1.00 0.00 O ATOM 266 CB GLN A 60 9.059 -8.851 -3.359 1.00 0.00 C ATOM 267 CG GLN A 60 10.492 -8.579 -3.788 1.00 0.00 C ATOM 268 CD GLN A 60 11.058 -9.679 -4.664 1.00 0.00 C ATOM 269 OE1 GLN A 60 10.609 -10.824 -4.610 1.00 0.00 O ATOM 270 NE2 GLN A 60 12.049 -9.336 -5.479 1.00 0.00 N ATOM 0 H GLN A 60 8.364 -7.789 -6.216 1.00 0.00 H new ATOM 0 HA GLN A 60 8.472 -9.769 -5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.718 -8.035 -2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.035 -9.758 -2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.532 -7.633 -4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.117 -8.467 -2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.390 -8.375 -5.491 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.469 -10.034 -6.093 1.00 0.00 H new ATOM 279 N ILE A 61 5.763 -9.567 -4.932 1.00 0.00 N ATOM 280 CA ILE A 61 4.415 -9.989 -4.574 1.00 0.00 C ATOM 281 C ILE A 61 3.967 -11.176 -5.420 1.00 0.00 C ATOM 282 O ILE A 61 3.992 -11.138 -6.650 1.00 0.00 O ATOM 283 CB ILE A 61 3.402 -8.841 -4.743 1.00 0.00 C ATOM 284 CG1 ILE A 61 3.694 -7.723 -3.740 1.00 0.00 C ATOM 285 CG2 ILE A 61 1.982 -9.358 -4.569 1.00 0.00 C ATOM 286 CD1 ILE A 61 2.835 -6.494 -3.939 1.00 0.00 C ATOM 0 H ILE A 61 5.893 -9.369 -5.924 1.00 0.00 H new ATOM 0 HA ILE A 61 4.445 -10.285 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 61 3.499 -8.435 -5.750 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.542 -8.103 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.744 -7.440 -3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.278 -8.535 -4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.779 -10.124 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.870 -9.786 -3.573 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.096 -5.743 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.005 -6.089 -4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.784 -6.763 -3.830 1.00 0.00 H new ATOM 298 N PRO A 62 3.544 -12.257 -4.746 1.00 0.00 N ATOM 299 CA PRO A 62 3.080 -13.475 -5.416 1.00 0.00 C ATOM 300 C PRO A 62 1.745 -13.274 -6.125 1.00 0.00 C ATOM 301 O PRO A 62 0.949 -12.418 -5.738 1.00 0.00 O ATOM 302 CB PRO A 62 2.930 -14.476 -4.268 1.00 0.00 C ATOM 303 CG PRO A 62 2.701 -13.635 -3.060 1.00 0.00 C ATOM 304 CD PRO A 62 3.487 -12.372 -3.280 1.00 0.00 C ATOM 0 HA PRO A 62 3.770 -13.799 -6.195 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.095 -15.155 -4.442 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.824 -15.090 -4.159 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.641 -13.417 -2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.033 -14.149 -2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.997 -11.510 -2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.483 -12.437 -2.843 1.00 0.00 H new ATOM 312 N ARG A 63 1.506 -14.067 -7.164 1.00 0.00 N ATOM 313 CA ARG A 63 0.267 -13.975 -7.927 1.00 0.00 C ATOM 314 C ARG A 63 -0.871 -14.688 -7.204 1.00 0.00 C ATOM 315 O ARG A 63 -1.656 -15.407 -7.820 1.00 0.00 O ATOM 316 CB ARG A 63 0.456 -14.576 -9.321 1.00 0.00 C ATOM 317 CG ARG A 63 1.650 -14.008 -10.073 1.00 0.00 C ATOM 318 CD ARG A 63 2.162 -14.983 -11.121 1.00 0.00 C ATOM 319 NE ARG A 63 3.586 -14.798 -11.391 1.00 0.00 N ATOM 320 CZ ARG A 63 4.550 -15.354 -10.665 1.00 0.00 C ATOM 321 NH1 ARG A 63 4.244 -16.126 -9.632 1.00 0.00 N ATOM 322 NH2 ARG A 63 5.822 -15.138 -10.973 1.00 0.00 N ATOM 0 H ARG A 63 2.154 -14.781 -7.497 1.00 0.00 H new ATOM 0 HA ARG A 63 0.008 -12.921 -8.025 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.576 -15.655 -9.229 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.447 -14.404 -9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.367 -13.071 -10.553 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.449 -13.777 -9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.987 -16.004 -10.782 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.598 -14.852 -12.044 1.00 0.00 H new ATOM 0 HE ARG A 63 3.855 -14.210 -12.180 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.267 -16.294 -9.393 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.986 -16.552 -9.076 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.061 -14.545 -11.768 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.561 -15.565 -10.415 1.00 0.00 H new ATOM 336 N ASN A 64 -0.953 -14.484 -5.893 1.00 0.00 N ATOM 337 CA ASN A 64 -1.994 -15.109 -5.086 1.00 0.00 C ATOM 338 C ASN A 64 -2.632 -14.094 -4.142 1.00 0.00 C ATOM 339 O ASN A 64 -3.393 -14.458 -3.244 1.00 0.00 O ATOM 340 CB ASN A 64 -1.415 -16.275 -4.283 1.00 0.00 C ATOM 341 CG ASN A 64 -0.886 -15.840 -2.930 1.00 0.00 C ATOM 342 OD1 ASN A 64 0.157 -15.193 -2.838 1.00 0.00 O ATOM 343 ND2 ASN A 64 -1.606 -16.195 -1.872 1.00 0.00 N ATOM 0 H ASN A 64 -0.311 -13.891 -5.367 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.763 -15.487 -5.759 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.185 -17.033 -4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.610 -16.740 -4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.300 -15.931 -0.935 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.465 -16.732 -1.996 1.00 0.00 H new ATOM 350 N LEU A 65 -2.318 -12.821 -4.351 1.00 0.00 N ATOM 351 CA LEU A 65 -2.861 -11.752 -3.519 1.00 0.00 C ATOM 352 C LEU A 65 -4.016 -11.048 -4.224 1.00 0.00 C ATOM 353 O LEU A 65 -4.245 -11.249 -5.417 1.00 0.00 O ATOM 354 CB LEU A 65 -1.767 -10.741 -3.175 1.00 0.00 C ATOM 355 CG LEU A 65 -0.690 -11.223 -2.201 1.00 0.00 C ATOM 356 CD1 LEU A 65 0.351 -10.138 -1.977 1.00 0.00 C ATOM 357 CD2 LEU A 65 -1.317 -11.644 -0.879 1.00 0.00 C ATOM 0 H LEU A 65 -1.690 -12.503 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.238 -12.197 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.280 -10.433 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.239 -9.854 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.194 -12.090 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.109 -10.499 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.822 -9.884 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.130 -9.252 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.537 -11.984 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.839 -10.795 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.025 -12.455 -1.054 1.00 0.00 H new ATOM 369 N ASP A 66 -4.740 -10.220 -3.478 1.00 0.00 N ATOM 370 CA ASP A 66 -5.870 -9.483 -4.032 1.00 0.00 C ATOM 371 C ASP A 66 -5.910 -8.059 -3.486 1.00 0.00 C ATOM 372 O ASP A 66 -5.391 -7.785 -2.404 1.00 0.00 O ATOM 373 CB ASP A 66 -7.182 -10.202 -3.713 1.00 0.00 C ATOM 374 CG ASP A 66 -7.139 -11.673 -4.075 1.00 0.00 C ATOM 375 OD1 ASP A 66 -6.207 -12.369 -3.620 1.00 0.00 O ATOM 376 OD2 ASP A 66 -8.036 -12.128 -4.816 1.00 0.00 O ATOM 0 H ASP A 66 -4.565 -10.043 -2.489 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.745 -9.435 -5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.400 -10.099 -2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.997 -9.721 -4.254 1.00 0.00 H new ATOM 381 N GLU A 67 -6.528 -7.157 -4.242 1.00 0.00 N ATOM 382 CA GLU A 67 -6.633 -5.761 -3.834 1.00 0.00 C ATOM 383 C GLU A 67 -7.225 -5.648 -2.432 1.00 0.00 C ATOM 384 O GLU A 67 -6.743 -4.876 -1.602 1.00 0.00 O ATOM 385 CB GLU A 67 -7.494 -4.979 -4.828 1.00 0.00 C ATOM 386 CG GLU A 67 -6.779 -4.654 -6.128 1.00 0.00 C ATOM 387 CD GLU A 67 -7.740 -4.363 -7.265 1.00 0.00 C ATOM 388 OE1 GLU A 67 -8.453 -5.296 -7.691 1.00 0.00 O ATOM 389 OE2 GLU A 67 -7.778 -3.204 -7.728 1.00 0.00 O ATOM 0 H GLU A 67 -6.963 -7.368 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.629 -5.336 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.391 -5.556 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.821 -4.050 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.130 -3.791 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.137 -5.491 -6.405 1.00 0.00 H new ATOM 396 N LYS A 68 -8.273 -6.422 -2.174 1.00 0.00 N ATOM 397 CA LYS A 68 -8.932 -6.411 -0.873 1.00 0.00 C ATOM 398 C LYS A 68 -8.018 -6.984 0.205 1.00 0.00 C ATOM 399 O LYS A 68 -8.197 -6.713 1.392 1.00 0.00 O ATOM 400 CB LYS A 68 -10.235 -7.212 -0.932 1.00 0.00 C ATOM 401 CG LYS A 68 -11.192 -6.739 -2.012 1.00 0.00 C ATOM 402 CD LYS A 68 -11.985 -5.524 -1.561 1.00 0.00 C ATOM 403 CE LYS A 68 -12.465 -4.700 -2.746 1.00 0.00 C ATOM 404 NZ LYS A 68 -12.672 -3.271 -2.381 1.00 0.00 N ATOM 0 H LYS A 68 -8.685 -7.066 -2.849 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.160 -5.376 -0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.998 -8.262 -1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.733 -7.151 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.632 -6.494 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.877 -7.546 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.842 -5.847 -0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.366 -4.904 -0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.736 -4.767 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.398 -5.117 -3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.999 -2.743 -3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.386 -3.205 -1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.776 -2.865 -2.044 1.00 0.00 H new ATOM 418 N ASP A 69 -7.039 -7.777 -0.217 1.00 0.00 N ATOM 419 CA ASP A 69 -6.095 -8.386 0.713 1.00 0.00 C ATOM 420 C ASP A 69 -4.810 -7.569 0.796 1.00 0.00 C ATOM 421 O ASP A 69 -3.862 -7.951 1.484 1.00 0.00 O ATOM 422 CB ASP A 69 -5.776 -9.819 0.283 1.00 0.00 C ATOM 423 CG ASP A 69 -6.806 -10.815 0.777 1.00 0.00 C ATOM 424 OD1 ASP A 69 -6.706 -11.241 1.946 1.00 0.00 O ATOM 425 OD2 ASP A 69 -7.712 -11.169 -0.007 1.00 0.00 O ATOM 0 H ASP A 69 -6.878 -8.013 -1.196 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.556 -8.405 1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.723 -9.865 -0.805 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.793 -10.099 0.663 1.00 0.00 H new ATOM 430 N LEU A 70 -4.784 -6.443 0.092 1.00 0.00 N ATOM 431 CA LEU A 70 -3.614 -5.571 0.085 1.00 0.00 C ATOM 432 C LEU A 70 -3.956 -4.197 0.652 1.00 0.00 C ATOM 433 O LEU A 70 -3.155 -3.590 1.363 1.00 0.00 O ATOM 434 CB LEU A 70 -3.069 -5.427 -1.337 1.00 0.00 C ATOM 435 CG LEU A 70 -2.199 -6.578 -1.842 1.00 0.00 C ATOM 436 CD1 LEU A 70 -1.912 -6.419 -3.327 1.00 0.00 C ATOM 437 CD2 LEU A 70 -0.901 -6.652 -1.052 1.00 0.00 C ATOM 0 H LEU A 70 -5.560 -6.112 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.850 -6.024 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.912 -5.310 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.486 -4.507 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.744 -7.511 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.291 -7.248 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.851 -6.417 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.388 -5.479 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.294 -7.477 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.352 -5.717 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.125 -6.815 0.002 1.00 0.00 H new ATOM 449 N LYS A 71 -5.153 -3.713 0.336 1.00 0.00 N ATOM 450 CA LYS A 71 -5.604 -2.413 0.817 1.00 0.00 C ATOM 451 C LYS A 71 -5.560 -2.351 2.340 1.00 0.00 C ATOM 452 O LYS A 71 -5.128 -1.362 2.933 1.00 0.00 O ATOM 453 CB LYS A 71 -7.024 -2.129 0.324 1.00 0.00 C ATOM 454 CG LYS A 71 -7.386 -0.653 0.329 1.00 0.00 C ATOM 455 CD LYS A 71 -7.081 -0.001 -1.009 1.00 0.00 C ATOM 456 CE LYS A 71 -8.228 -0.179 -1.991 1.00 0.00 C ATOM 457 NZ LYS A 71 -9.392 0.684 -1.648 1.00 0.00 N ATOM 0 H LYS A 71 -5.828 -4.202 -0.252 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.930 -1.653 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.133 -2.518 -0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.732 -2.670 0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.445 -0.538 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.832 -0.144 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.889 1.062 -0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.172 -0.434 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.884 0.059 -2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.540 -1.223 -1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.041 0.731 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.891 0.284 -0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.058 1.641 -1.416 1.00 0.00 H new ATOM 471 N PRO A 72 -6.018 -3.431 2.991 1.00 0.00 N ATOM 472 CA PRO A 72 -6.040 -3.524 4.454 1.00 0.00 C ATOM 473 C PRO A 72 -4.713 -3.110 5.081 1.00 0.00 C ATOM 474 O PRO A 72 -4.643 -2.127 5.820 1.00 0.00 O ATOM 475 CB PRO A 72 -6.313 -5.008 4.711 1.00 0.00 C ATOM 476 CG PRO A 72 -7.036 -5.476 3.495 1.00 0.00 C ATOM 477 CD PRO A 72 -6.548 -4.645 2.348 1.00 0.00 C ATOM 0 HA PRO A 72 -6.782 -2.858 4.894 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.386 -5.562 4.858 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.915 -5.150 5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.843 -6.533 3.315 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.113 -5.366 3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.778 -5.164 1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.354 -4.410 1.653 1.00 0.00 H new ATOM 485 N LEU A 73 -3.662 -3.865 4.781 1.00 0.00 N ATOM 486 CA LEU A 73 -2.335 -3.576 5.316 1.00 0.00 C ATOM 487 C LEU A 73 -2.047 -2.079 5.278 1.00 0.00 C ATOM 488 O LEU A 73 -2.042 -1.411 6.311 1.00 0.00 O ATOM 489 CB LEU A 73 -1.268 -4.333 4.522 1.00 0.00 C ATOM 490 CG LEU A 73 -1.313 -5.858 4.623 1.00 0.00 C ATOM 491 CD1 LEU A 73 -0.457 -6.490 3.537 1.00 0.00 C ATOM 492 CD2 LEU A 73 -0.853 -6.315 6.000 1.00 0.00 C ATOM 0 H LEU A 73 -3.702 -4.681 4.171 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.309 -3.906 6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.360 -4.055 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.287 -3.995 4.856 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.344 -6.182 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.501 -7.576 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.831 -6.189 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.575 -6.159 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.892 -7.403 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.170 -5.979 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.507 -5.891 6.762 1.00 0.00 H new ATOM 504 N PHE A 74 -1.809 -1.558 4.079 1.00 0.00 N ATOM 505 CA PHE A 74 -1.521 -0.139 3.905 1.00 0.00 C ATOM 506 C PHE A 74 -2.561 0.718 4.621 1.00 0.00 C ATOM 507 O PHE A 74 -2.227 1.514 5.498 1.00 0.00 O ATOM 508 CB PHE A 74 -1.485 0.218 2.418 1.00 0.00 C ATOM 509 CG PHE A 74 -0.444 -0.539 1.644 1.00 0.00 C ATOM 510 CD1 PHE A 74 0.901 -0.240 1.792 1.00 0.00 C ATOM 511 CD2 PHE A 74 -0.810 -1.550 0.770 1.00 0.00 C ATOM 512 CE1 PHE A 74 1.862 -0.935 1.082 1.00 0.00 C ATOM 513 CE2 PHE A 74 0.147 -2.248 0.058 1.00 0.00 C ATOM 514 CZ PHE A 74 1.484 -1.940 0.213 1.00 0.00 C ATOM 0 H PHE A 74 -1.810 -2.097 3.213 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.544 0.064 4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.464 0.022 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.298 1.287 2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.202 0.545 2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.854 -1.795 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.907 -0.693 1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.151 -3.034 -0.620 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.233 -2.484 -0.344 1.00 0.00 H new ATOM 524 N GLU A 75 -3.823 0.550 4.238 1.00 0.00 N ATOM 525 CA GLU A 75 -4.912 1.309 4.842 1.00 0.00 C ATOM 526 C GLU A 75 -4.672 1.509 6.335 1.00 0.00 C ATOM 527 O GLU A 75 -5.131 2.489 6.922 1.00 0.00 O ATOM 528 CB GLU A 75 -6.246 0.595 4.618 1.00 0.00 C ATOM 529 CG GLU A 75 -6.875 0.888 3.267 1.00 0.00 C ATOM 530 CD GLU A 75 -7.749 2.127 3.286 1.00 0.00 C ATOM 531 OE1 GLU A 75 -8.548 2.276 4.235 1.00 0.00 O ATOM 532 OE2 GLU A 75 -7.634 2.948 2.352 1.00 0.00 O ATOM 0 H GLU A 75 -4.116 -0.105 3.513 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.948 2.288 4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.093 -0.480 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.942 0.888 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.088 1.015 2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.473 0.031 2.955 1.00 0.00 H new ATOM 539 N GLU A 76 -3.952 0.572 6.944 1.00 0.00 N ATOM 540 CA GLU A 76 -3.653 0.645 8.369 1.00 0.00 C ATOM 541 C GLU A 76 -2.711 1.807 8.669 1.00 0.00 C ATOM 542 O GLU A 76 -2.961 2.607 9.571 1.00 0.00 O ATOM 543 CB GLU A 76 -3.031 -0.668 8.850 1.00 0.00 C ATOM 544 CG GLU A 76 -2.892 -0.758 10.360 1.00 0.00 C ATOM 545 CD GLU A 76 -4.207 -1.065 11.050 1.00 0.00 C ATOM 546 OE1 GLU A 76 -4.825 -2.098 10.718 1.00 0.00 O ATOM 547 OE2 GLU A 76 -4.618 -0.271 11.923 1.00 0.00 O ATOM 0 H GLU A 76 -3.565 -0.246 6.473 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.589 0.812 8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.642 -1.500 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.047 -0.782 8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.166 -1.532 10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.497 0.184 10.741 1.00 0.00 H new ATOM 554 N PHE A 77 -1.626 1.893 7.907 1.00 0.00 N ATOM 555 CA PHE A 77 -0.644 2.955 8.091 1.00 0.00 C ATOM 556 C PHE A 77 -1.143 4.266 7.491 1.00 0.00 C ATOM 557 O PHE A 77 -1.009 5.329 8.096 1.00 0.00 O ATOM 558 CB PHE A 77 0.690 2.563 7.452 1.00 0.00 C ATOM 559 CG PHE A 77 1.429 1.499 8.211 1.00 0.00 C ATOM 560 CD1 PHE A 77 2.242 1.831 9.282 1.00 0.00 C ATOM 561 CD2 PHE A 77 1.310 0.165 7.853 1.00 0.00 C ATOM 562 CE1 PHE A 77 2.923 0.854 9.983 1.00 0.00 C ATOM 563 CE2 PHE A 77 1.989 -0.816 8.551 1.00 0.00 C ATOM 564 CZ PHE A 77 2.797 -0.471 9.616 1.00 0.00 C ATOM 0 H PHE A 77 -1.404 1.240 7.156 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.497 3.098 9.162 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.508 2.213 6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.321 3.448 7.376 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.345 2.866 9.573 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.680 -0.111 7.020 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.553 1.127 10.817 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.887 -1.852 8.263 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.330 -1.236 10.161 1.00 0.00 H new ATOM 574 N GLY A 78 -1.718 4.182 6.295 1.00 0.00 N ATOM 575 CA GLY A 78 -2.228 5.368 5.632 1.00 0.00 C ATOM 576 C GLY A 78 -3.542 5.115 4.921 1.00 0.00 C ATOM 577 O GLY A 78 -3.716 4.087 4.267 1.00 0.00 O ATOM 0 H GLY A 78 -1.840 3.314 5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.363 6.162 6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.491 5.723 4.912 1.00 0.00 H new ATOM 581 N LYS A 79 -4.473 6.055 5.051 1.00 0.00 N ATOM 582 CA LYS A 79 -5.780 5.930 4.417 1.00 0.00 C ATOM 583 C LYS A 79 -5.653 5.963 2.897 1.00 0.00 C ATOM 584 O LYS A 79 -5.883 6.997 2.268 1.00 0.00 O ATOM 585 CB LYS A 79 -6.707 7.053 4.886 1.00 0.00 C ATOM 586 CG LYS A 79 -8.151 6.874 4.449 1.00 0.00 C ATOM 587 CD LYS A 79 -8.961 8.141 4.666 1.00 0.00 C ATOM 588 CE LYS A 79 -9.588 8.171 6.051 1.00 0.00 C ATOM 589 NZ LYS A 79 -8.583 8.464 7.109 1.00 0.00 N ATOM 0 H LYS A 79 -4.346 6.912 5.590 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.206 4.970 4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.670 7.112 5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.335 8.003 4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.181 6.598 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.602 6.053 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.318 9.012 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.743 8.208 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.374 8.926 6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.062 7.211 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.040 8.978 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.186 7.572 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.820 9.047 6.711 1.00 0.00 H new ATOM 603 N ILE A 80 -5.287 4.827 2.313 1.00 0.00 N ATOM 604 CA ILE A 80 -5.133 4.727 0.867 1.00 0.00 C ATOM 605 C ILE A 80 -6.188 5.556 0.143 1.00 0.00 C ATOM 606 O ILE A 80 -7.290 5.759 0.652 1.00 0.00 O ATOM 607 CB ILE A 80 -5.228 3.265 0.391 1.00 0.00 C ATOM 608 CG1 ILE A 80 -4.149 2.415 1.064 1.00 0.00 C ATOM 609 CG2 ILE A 80 -5.100 3.193 -1.123 1.00 0.00 C ATOM 610 CD1 ILE A 80 -4.263 0.939 0.755 1.00 0.00 C ATOM 0 H ILE A 80 -5.092 3.963 2.819 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.143 5.115 0.627 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.203 2.869 0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.168 2.770 0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.206 2.558 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.169 2.154 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.902 3.770 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.137 3.604 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.466 0.398 1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.230 0.569 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.176 0.785 -0.320 1.00 0.00 H new ATOM 622 N TYR A 81 -5.843 6.031 -1.048 1.00 0.00 N ATOM 623 CA TYR A 81 -6.760 6.839 -1.844 1.00 0.00 C ATOM 624 C TYR A 81 -7.268 6.057 -3.051 1.00 0.00 C ATOM 625 O TYR A 81 -8.457 6.086 -3.367 1.00 0.00 O ATOM 626 CB TYR A 81 -6.071 8.124 -2.307 1.00 0.00 C ATOM 627 CG TYR A 81 -6.858 8.893 -3.343 1.00 0.00 C ATOM 628 CD1 TYR A 81 -8.010 9.588 -2.994 1.00 0.00 C ATOM 629 CD2 TYR A 81 -6.452 8.925 -4.671 1.00 0.00 C ATOM 630 CE1 TYR A 81 -8.733 10.292 -3.937 1.00 0.00 C ATOM 631 CE2 TYR A 81 -7.168 9.628 -5.621 1.00 0.00 C ATOM 632 CZ TYR A 81 -8.308 10.309 -5.249 1.00 0.00 C ATOM 633 OH TYR A 81 -9.025 11.009 -6.193 1.00 0.00 O ATOM 0 H TYR A 81 -4.935 5.871 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 81 -7.613 7.098 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.899 8.766 -1.443 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -5.093 7.874 -2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.346 9.577 -1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.561 8.391 -4.966 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -9.626 10.826 -3.649 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.837 9.644 -6.649 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.590 10.920 -7.067 1.00 0.00 H new ATOM 643 N GLU A 82 -6.357 5.359 -3.722 1.00 0.00 N ATOM 644 CA GLU A 82 -6.712 4.569 -4.895 1.00 0.00 C ATOM 645 C GLU A 82 -5.648 3.514 -5.183 1.00 0.00 C ATOM 646 O GLU A 82 -4.517 3.840 -5.546 1.00 0.00 O ATOM 647 CB GLU A 82 -6.890 5.476 -6.114 1.00 0.00 C ATOM 648 CG GLU A 82 -7.642 4.818 -7.258 1.00 0.00 C ATOM 649 CD GLU A 82 -8.169 5.823 -8.264 1.00 0.00 C ATOM 650 OE1 GLU A 82 -7.489 6.846 -8.491 1.00 0.00 O ATOM 651 OE2 GLU A 82 -9.260 5.587 -8.824 1.00 0.00 O ATOM 0 H GLU A 82 -5.368 5.325 -3.473 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.655 4.062 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.423 6.377 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.908 5.790 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.982 4.114 -7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.475 4.241 -6.856 1.00 0.00 H new ATOM 658 N LEU A 83 -6.017 2.249 -5.018 1.00 0.00 N ATOM 659 CA LEU A 83 -5.095 1.145 -5.260 1.00 0.00 C ATOM 660 C LEU A 83 -5.325 0.535 -6.639 1.00 0.00 C ATOM 661 O LEU A 83 -6.464 0.398 -7.088 1.00 0.00 O ATOM 662 CB LEU A 83 -5.259 0.072 -4.182 1.00 0.00 C ATOM 663 CG LEU A 83 -4.417 -1.192 -4.360 1.00 0.00 C ATOM 664 CD1 LEU A 83 -2.963 -0.919 -4.010 1.00 0.00 C ATOM 665 CD2 LEU A 83 -4.970 -2.325 -3.506 1.00 0.00 C ATOM 0 H LEU A 83 -6.949 1.962 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.079 1.538 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.014 0.515 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.309 -0.218 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.466 -1.494 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.380 -1.830 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.572 -0.139 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.894 -0.592 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.359 -3.217 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.951 -2.032 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.996 -2.538 -3.805 1.00 0.00 H new ATOM 677 N THR A 84 -4.236 0.168 -7.307 1.00 0.00 N ATOM 678 CA THR A 84 -4.319 -0.429 -8.635 1.00 0.00 C ATOM 679 C THR A 84 -3.249 -1.498 -8.825 1.00 0.00 C ATOM 680 O THR A 84 -2.057 -1.233 -8.667 1.00 0.00 O ATOM 681 CB THR A 84 -4.167 0.635 -9.739 1.00 0.00 C ATOM 682 OG1 THR A 84 -5.262 1.557 -9.684 1.00 0.00 O ATOM 683 CG2 THR A 84 -4.114 -0.016 -11.113 1.00 0.00 C ATOM 0 H THR A 84 -3.286 0.274 -6.951 1.00 0.00 H new ATOM 0 HA THR A 84 -5.305 -0.887 -8.715 1.00 0.00 H new ATOM 0 HB THR A 84 -3.233 1.171 -9.572 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.158 2.231 -10.388 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.007 0.754 -11.877 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.263 -0.696 -11.161 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.034 -0.574 -11.287 1.00 0.00 H new ATOM 691 N VAL A 85 -3.682 -2.708 -9.165 1.00 0.00 N ATOM 692 CA VAL A 85 -2.760 -3.817 -9.379 1.00 0.00 C ATOM 693 C VAL A 85 -2.178 -3.785 -10.787 1.00 0.00 C ATOM 694 O VAL A 85 -2.908 -3.637 -11.769 1.00 0.00 O ATOM 695 CB VAL A 85 -3.454 -5.174 -9.152 1.00 0.00 C ATOM 696 CG1 VAL A 85 -2.526 -6.318 -9.534 1.00 0.00 C ATOM 697 CG2 VAL A 85 -3.908 -5.305 -7.707 1.00 0.00 C ATOM 0 H VAL A 85 -4.665 -2.945 -9.298 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.954 -3.703 -8.654 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.336 -5.223 -9.791 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.033 -7.269 -9.367 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.255 -6.231 -10.586 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.625 -6.275 -8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.396 -6.269 -7.565 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.044 -5.235 -7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.610 -4.505 -7.472 1.00 0.00 H new ATOM 707 N LEU A 86 -0.861 -3.924 -10.880 1.00 0.00 N ATOM 708 CA LEU A 86 -0.179 -3.912 -12.170 1.00 0.00 C ATOM 709 C LEU A 86 -0.216 -5.292 -12.819 1.00 0.00 C ATOM 710 O LEU A 86 0.593 -6.163 -12.498 1.00 0.00 O ATOM 711 CB LEU A 86 1.271 -3.455 -11.998 1.00 0.00 C ATOM 712 CG LEU A 86 1.472 -1.987 -11.621 1.00 0.00 C ATOM 713 CD1 LEU A 86 2.900 -1.747 -11.155 1.00 0.00 C ATOM 714 CD2 LEU A 86 1.133 -1.083 -12.797 1.00 0.00 C ATOM 0 H LEU A 86 -0.243 -4.046 -10.078 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.700 -3.211 -12.822 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.737 -4.073 -11.231 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.804 -3.646 -12.929 1.00 0.00 H new ATOM 0 HG LEU A 86 0.798 -1.747 -10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.025 -0.697 -10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.107 -2.368 -10.283 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.592 -2.004 -11.957 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.282 -0.042 -12.510 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.781 -1.324 -13.640 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.093 -1.235 -13.085 1.00 0.00 H new ATOM 726 N LYS A 87 -1.159 -5.483 -13.735 1.00 0.00 N ATOM 727 CA LYS A 87 -1.301 -6.756 -14.433 1.00 0.00 C ATOM 728 C LYS A 87 -1.460 -6.538 -15.934 1.00 0.00 C ATOM 729 O LYS A 87 -1.993 -5.517 -16.370 1.00 0.00 O ATOM 730 CB LYS A 87 -2.504 -7.528 -13.889 1.00 0.00 C ATOM 731 CG LYS A 87 -3.841 -6.983 -14.359 1.00 0.00 C ATOM 732 CD LYS A 87 -4.317 -5.837 -13.481 1.00 0.00 C ATOM 733 CE LYS A 87 -5.097 -6.345 -12.278 1.00 0.00 C ATOM 734 NZ LYS A 87 -6.461 -6.808 -12.656 1.00 0.00 N ATOM 0 H LYS A 87 -1.837 -4.773 -14.012 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.396 -7.339 -14.262 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.421 -8.572 -14.190 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.476 -7.507 -12.800 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.753 -6.640 -15.390 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.583 -7.781 -14.351 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.459 -5.257 -13.141 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.945 -5.165 -14.066 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.551 -7.165 -11.812 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.176 -5.551 -11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.034 -6.937 -11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.911 -6.099 -13.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.392 -7.712 -13.166 1.00 0.00 H new ATOM 748 N ASP A 88 -0.996 -7.503 -16.720 1.00 0.00 N ATOM 749 CA ASP A 88 -1.090 -7.418 -18.173 1.00 0.00 C ATOM 750 C ASP A 88 -2.468 -7.860 -18.655 1.00 0.00 C ATOM 751 O ASP A 88 -3.309 -8.280 -17.861 1.00 0.00 O ATOM 752 CB ASP A 88 -0.007 -8.278 -18.826 1.00 0.00 C ATOM 753 CG ASP A 88 0.440 -7.727 -20.166 1.00 0.00 C ATOM 754 OD1 ASP A 88 0.506 -6.487 -20.306 1.00 0.00 O ATOM 755 OD2 ASP A 88 0.725 -8.535 -21.074 1.00 0.00 O ATOM 0 H ASP A 88 -0.551 -8.354 -16.375 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.941 -6.378 -18.462 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.852 -8.344 -18.159 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.384 -9.292 -18.961 1.00 0.00 H new ATOM 760 N ARG A 89 -2.691 -7.761 -19.962 1.00 0.00 N ATOM 761 CA ARG A 89 -3.968 -8.148 -20.550 1.00 0.00 C ATOM 762 C ARG A 89 -3.761 -9.128 -21.701 1.00 0.00 C ATOM 763 O ARG A 89 -4.719 -9.696 -22.227 1.00 0.00 O ATOM 764 CB ARG A 89 -4.720 -6.913 -21.047 1.00 0.00 C ATOM 765 CG ARG A 89 -5.937 -7.241 -21.896 1.00 0.00 C ATOM 766 CD ARG A 89 -6.686 -5.983 -22.307 1.00 0.00 C ATOM 767 NE ARG A 89 -5.849 -5.078 -23.089 1.00 0.00 N ATOM 768 CZ ARG A 89 -6.283 -3.931 -23.599 1.00 0.00 C ATOM 769 NH1 ARG A 89 -7.539 -3.550 -23.408 1.00 0.00 N ATOM 770 NH2 ARG A 89 -5.461 -3.161 -24.300 1.00 0.00 N ATOM 0 H ARG A 89 -2.004 -7.416 -20.633 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.561 -8.640 -19.779 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.036 -6.320 -20.188 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.038 -6.293 -21.629 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.624 -7.787 -22.786 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.605 -7.897 -21.338 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.565 -6.259 -22.890 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.044 -5.467 -21.416 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.877 -5.341 -23.253 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.174 -4.138 -22.868 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.870 -2.669 -23.801 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.494 -3.450 -24.448 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.796 -2.280 -24.691 1.00 0.00 H new ATOM 784 N PHE A 90 -2.505 -9.322 -22.088 1.00 0.00 N ATOM 785 CA PHE A 90 -2.172 -10.232 -23.177 1.00 0.00 C ATOM 786 C PHE A 90 -1.680 -11.572 -22.637 1.00 0.00 C ATOM 787 O PHE A 90 -2.356 -12.593 -22.765 1.00 0.00 O ATOM 788 CB PHE A 90 -1.104 -9.612 -24.081 1.00 0.00 C ATOM 789 CG PHE A 90 -1.324 -8.151 -24.352 1.00 0.00 C ATOM 790 CD1 PHE A 90 -2.569 -7.685 -24.744 1.00 0.00 C ATOM 791 CD2 PHE A 90 -0.286 -7.243 -24.216 1.00 0.00 C ATOM 792 CE1 PHE A 90 -2.775 -6.341 -24.994 1.00 0.00 C ATOM 793 CE2 PHE A 90 -0.486 -5.898 -24.464 1.00 0.00 C ATOM 794 CZ PHE A 90 -1.732 -5.447 -24.855 1.00 0.00 C ATOM 0 H PHE A 90 -1.700 -8.861 -21.663 1.00 0.00 H new ATOM 0 HA PHE A 90 -3.077 -10.405 -23.760 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.126 -9.744 -23.618 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.084 -10.150 -25.029 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.388 -8.380 -24.855 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.691 -7.590 -23.913 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.750 -5.991 -25.298 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.331 -5.200 -24.352 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.890 -4.397 -25.052 1.00 0.00 H new ATOM 804 N THR A 91 -0.497 -11.560 -22.030 1.00 0.00 N ATOM 805 CA THR A 91 0.087 -12.772 -21.471 1.00 0.00 C ATOM 806 C THR A 91 0.509 -12.561 -20.021 1.00 0.00 C ATOM 807 O THR A 91 0.470 -13.488 -19.213 1.00 0.00 O ATOM 808 CB THR A 91 1.309 -13.235 -22.287 1.00 0.00 C ATOM 809 OG1 THR A 91 1.877 -14.409 -21.696 1.00 0.00 O ATOM 810 CG2 THR A 91 2.360 -12.137 -22.357 1.00 0.00 C ATOM 0 H THR A 91 0.075 -10.724 -21.913 1.00 0.00 H new ATOM 0 HA THR A 91 -0.683 -13.543 -21.514 1.00 0.00 H new ATOM 0 HB THR A 91 0.977 -13.463 -23.300 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.652 -14.698 -22.222 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.213 -12.487 -22.938 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.933 -11.255 -22.834 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.687 -11.882 -21.349 1.00 0.00 H new ATOM 818 N GLY A 92 0.911 -11.336 -19.699 1.00 0.00 N ATOM 819 CA GLY A 92 1.333 -11.026 -18.345 1.00 0.00 C ATOM 820 C GLY A 92 0.165 -10.911 -17.386 1.00 0.00 C ATOM 821 O GLY A 92 0.084 -9.961 -16.607 1.00 0.00 O ATOM 0 H GLY A 92 0.952 -10.553 -20.351 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.013 -11.802 -17.993 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.891 -10.090 -18.347 1.00 0.00 H new ATOM 825 N MET A 93 -0.742 -11.881 -17.442 1.00 0.00 N ATOM 826 CA MET A 93 -1.911 -11.884 -16.570 1.00 0.00 C ATOM 827 C MET A 93 -1.560 -11.345 -15.187 1.00 0.00 C ATOM 828 O MET A 93 -2.403 -10.761 -14.505 1.00 0.00 O ATOM 829 CB MET A 93 -2.480 -13.299 -16.449 1.00 0.00 C ATOM 830 CG MET A 93 -1.467 -14.321 -15.958 1.00 0.00 C ATOM 831 SD MET A 93 -2.243 -15.742 -15.164 1.00 0.00 S ATOM 832 CE MET A 93 -1.054 -17.029 -15.535 1.00 0.00 C ATOM 0 H MET A 93 -0.690 -12.674 -18.081 1.00 0.00 H new ATOM 0 HA MET A 93 -2.665 -11.233 -17.013 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.329 -13.283 -15.765 1.00 0.00 H new ATOM 0 HB3 MET A 93 -2.860 -13.614 -17.421 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.865 -14.664 -16.800 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.786 -13.843 -15.254 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.394 -17.973 -15.109 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.956 -17.133 -16.616 1.00 0.00 H new ATOM 0 HE3 MET A 93 -0.087 -16.765 -15.107 1.00 0.00 H new ATOM 842 N HIS A 94 -0.311 -11.544 -14.779 1.00 0.00 N ATOM 843 CA HIS A 94 0.151 -11.077 -13.476 1.00 0.00 C ATOM 844 C HIS A 94 1.675 -11.071 -13.411 1.00 0.00 C ATOM 845 O HIS A 94 2.312 -12.125 -13.405 1.00 0.00 O ATOM 846 CB HIS A 94 -0.415 -11.961 -12.364 1.00 0.00 C ATOM 847 CG HIS A 94 -0.581 -11.246 -11.058 1.00 0.00 C ATOM 848 ND1 HIS A 94 0.469 -10.989 -10.202 1.00 0.00 N ATOM 849 CD2 HIS A 94 -1.684 -10.733 -10.464 1.00 0.00 C ATOM 850 CE1 HIS A 94 0.019 -10.349 -9.137 1.00 0.00 C ATOM 851 NE2 HIS A 94 -1.284 -10.181 -9.272 1.00 0.00 N ATOM 0 H HIS A 94 0.399 -12.025 -15.331 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.205 -10.057 -13.335 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.382 -12.354 -12.680 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.245 -12.816 -12.219 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.691 -10.754 -10.855 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.615 -10.019 -8.299 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.894 -9.716 -8.600 1.00 0.00 H new ATOM 859 N LYS A 95 2.256 -9.877 -13.363 1.00 0.00 N ATOM 860 CA LYS A 95 3.705 -9.731 -13.298 1.00 0.00 C ATOM 861 C LYS A 95 4.218 -10.024 -11.892 1.00 0.00 C ATOM 862 O LYS A 95 4.940 -10.996 -11.674 1.00 0.00 O ATOM 863 CB LYS A 95 4.116 -8.319 -13.718 1.00 0.00 C ATOM 864 CG LYS A 95 3.789 -7.995 -15.166 1.00 0.00 C ATOM 865 CD LYS A 95 4.009 -6.523 -15.472 1.00 0.00 C ATOM 866 CE LYS A 95 2.911 -5.659 -14.871 1.00 0.00 C ATOM 867 NZ LYS A 95 2.954 -4.265 -15.394 1.00 0.00 N ATOM 0 H LYS A 95 1.744 -8.995 -13.368 1.00 0.00 H new ATOM 0 HA LYS A 95 4.149 -10.451 -13.986 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.617 -7.597 -13.071 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.188 -8.200 -13.561 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.411 -8.601 -15.825 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.752 -8.260 -15.374 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.976 -6.209 -15.079 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.040 -6.375 -16.552 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.939 -6.100 -15.093 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.014 -5.643 -13.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.114 -3.746 -15.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.811 -3.790 -15.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.967 -4.285 -16.434 1.00 0.00 H new ATOM 881 N GLY A 96 3.839 -9.177 -10.939 1.00 0.00 N ATOM 882 CA GLY A 96 4.270 -9.364 -9.566 1.00 0.00 C ATOM 883 C GLY A 96 4.521 -8.050 -8.854 1.00 0.00 C ATOM 884 O GLY A 96 5.524 -7.897 -8.155 1.00 0.00 O ATOM 0 H GLY A 96 3.241 -8.365 -11.094 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.511 -9.928 -9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.182 -9.961 -9.553 1.00 0.00 H new ATOM 888 N CYS A 97 3.611 -7.099 -9.032 1.00 0.00 N ATOM 889 CA CYS A 97 3.741 -5.789 -8.402 1.00 0.00 C ATOM 890 C CYS A 97 2.412 -5.042 -8.425 1.00 0.00 C ATOM 891 O CYS A 97 1.459 -5.469 -9.075 1.00 0.00 O ATOM 892 CB CYS A 97 4.816 -4.964 -9.110 1.00 0.00 C ATOM 893 SG CYS A 97 4.586 -4.830 -10.898 1.00 0.00 S ATOM 0 H CYS A 97 2.776 -7.210 -9.607 1.00 0.00 H new ATOM 0 HA CYS A 97 4.035 -5.940 -7.363 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.832 -3.962 -8.680 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.790 -5.411 -8.912 1.00 0.00 H new ATOM 0 HG CYS A 97 5.543 -4.112 -11.406 1.00 0.00 H new ATOM 899 N ALA A 98 2.355 -3.924 -7.708 1.00 0.00 N ATOM 900 CA ALA A 98 1.144 -3.116 -7.647 1.00 0.00 C ATOM 901 C ALA A 98 1.467 -1.665 -7.308 1.00 0.00 C ATOM 902 O ALA A 98 2.472 -1.378 -6.657 1.00 0.00 O ATOM 903 CB ALA A 98 0.175 -3.695 -6.626 1.00 0.00 C ATOM 0 H ALA A 98 3.134 -3.558 -7.161 1.00 0.00 H new ATOM 0 HA ALA A 98 0.675 -3.135 -8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.725 -3.082 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.090 -4.713 -6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.646 -3.706 -5.643 1.00 0.00 H new ATOM 909 N PHE A 99 0.611 -0.753 -7.756 1.00 0.00 N ATOM 910 CA PHE A 99 0.807 0.670 -7.501 1.00 0.00 C ATOM 911 C PHE A 99 -0.100 1.151 -6.373 1.00 0.00 C ATOM 912 O PHE A 99 -1.298 0.863 -6.358 1.00 0.00 O ATOM 913 CB PHE A 99 0.534 1.479 -8.771 1.00 0.00 C ATOM 914 CG PHE A 99 1.745 1.656 -9.642 1.00 0.00 C ATOM 915 CD1 PHE A 99 2.959 2.039 -9.094 1.00 0.00 C ATOM 916 CD2 PHE A 99 1.670 1.438 -11.008 1.00 0.00 C ATOM 917 CE1 PHE A 99 4.075 2.202 -9.892 1.00 0.00 C ATOM 918 CE2 PHE A 99 2.784 1.599 -11.811 1.00 0.00 C ATOM 919 CZ PHE A 99 3.987 1.983 -11.253 1.00 0.00 C ATOM 0 H PHE A 99 -0.225 -0.973 -8.297 1.00 0.00 H new ATOM 0 HA PHE A 99 1.843 0.820 -7.198 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.248 0.984 -9.346 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.151 2.460 -8.491 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.034 2.212 -8.031 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.731 1.139 -11.450 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.015 2.500 -9.452 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.713 1.424 -12.874 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.857 2.112 -11.879 1.00 0.00 H new ATOM 929 N LEU A 100 0.479 1.885 -5.429 1.00 0.00 N ATOM 930 CA LEU A 100 -0.277 2.407 -4.295 1.00 0.00 C ATOM 931 C LEU A 100 -0.257 3.932 -4.283 1.00 0.00 C ATOM 932 O LEU A 100 0.717 4.555 -4.708 1.00 0.00 O ATOM 933 CB LEU A 100 0.297 1.867 -2.983 1.00 0.00 C ATOM 934 CG LEU A 100 -0.470 2.237 -1.713 1.00 0.00 C ATOM 935 CD1 LEU A 100 -1.749 1.421 -1.605 1.00 0.00 C ATOM 936 CD2 LEU A 100 0.403 2.030 -0.484 1.00 0.00 C ATOM 0 H LEU A 100 1.469 2.132 -5.426 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.311 2.077 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.345 0.780 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.321 2.226 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.740 3.291 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.282 1.698 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.381 1.620 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.502 0.360 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.159 2.298 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.704 0.984 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.290 2.659 -0.558 1.00 0.00 H new ATOM 948 N THR A 101 -1.338 4.529 -3.790 1.00 0.00 N ATOM 949 CA THR A 101 -1.444 5.981 -3.721 1.00 0.00 C ATOM 950 C THR A 101 -1.865 6.435 -2.329 1.00 0.00 C ATOM 951 O THR A 101 -3.030 6.308 -1.949 1.00 0.00 O ATOM 952 CB THR A 101 -2.454 6.519 -4.752 1.00 0.00 C ATOM 953 OG1 THR A 101 -2.063 6.127 -6.073 1.00 0.00 O ATOM 954 CG2 THR A 101 -2.550 8.035 -4.675 1.00 0.00 C ATOM 0 H THR A 101 -2.152 4.029 -3.433 1.00 0.00 H new ATOM 0 HA THR A 101 -0.456 6.382 -3.947 1.00 0.00 H new ATOM 0 HB THR A 101 -3.432 6.097 -4.523 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.711 6.472 -6.722 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.269 8.392 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.877 8.329 -3.677 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.573 8.472 -4.880 1.00 0.00 H new ATOM 962 N TYR A 102 -0.912 6.967 -1.572 1.00 0.00 N ATOM 963 CA TYR A 102 -1.184 7.439 -0.219 1.00 0.00 C ATOM 964 C TYR A 102 -1.653 8.891 -0.233 1.00 0.00 C ATOM 965 O TYR A 102 -1.076 9.734 -0.921 1.00 0.00 O ATOM 966 CB TYR A 102 0.066 7.304 0.652 1.00 0.00 C ATOM 967 CG TYR A 102 0.143 5.992 1.400 1.00 0.00 C ATOM 968 CD1 TYR A 102 -0.887 5.586 2.239 1.00 0.00 C ATOM 969 CD2 TYR A 102 1.247 5.158 1.266 1.00 0.00 C ATOM 970 CE1 TYR A 102 -0.820 4.388 2.924 1.00 0.00 C ATOM 971 CE2 TYR A 102 1.322 3.958 1.947 1.00 0.00 C ATOM 972 CZ TYR A 102 0.286 3.578 2.775 1.00 0.00 C ATOM 973 OH TYR A 102 0.356 2.384 3.455 1.00 0.00 O ATOM 0 H TYR A 102 0.056 7.082 -1.872 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.979 6.823 0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.950 7.406 0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.089 8.124 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.755 6.218 2.358 1.00 0.00 H new ATOM 0 HD2 TYR A 102 2.060 5.453 0.619 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.630 4.088 3.573 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.187 3.321 1.832 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.320 2.372 4.165 1.00 0.00 H new ATOM 983 N CYS A 103 -2.702 9.174 0.530 1.00 0.00 N ATOM 984 CA CYS A 103 -3.250 10.524 0.607 1.00 0.00 C ATOM 985 C CYS A 103 -2.189 11.516 1.072 1.00 0.00 C ATOM 986 O CYS A 103 -1.842 12.451 0.352 1.00 0.00 O ATOM 987 CB CYS A 103 -4.448 10.557 1.557 1.00 0.00 C ATOM 988 SG CYS A 103 -5.833 9.518 1.035 1.00 0.00 S ATOM 0 H CYS A 103 -3.191 8.487 1.104 1.00 0.00 H new ATOM 0 HA CYS A 103 -3.579 10.813 -0.391 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.122 10.239 2.547 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -4.795 11.586 1.651 1.00 0.00 H new ATOM 0 HG CYS A 103 -5.651 8.305 1.465 1.00 0.00 H new ATOM 994 N GLU A 104 -1.679 11.305 2.282 1.00 0.00 N ATOM 995 CA GLU A 104 -0.659 12.183 2.844 1.00 0.00 C ATOM 996 C GLU A 104 0.717 11.855 2.271 1.00 0.00 C ATOM 997 O GLU A 104 0.941 10.761 1.753 1.00 0.00 O ATOM 998 CB GLU A 104 -0.632 12.059 4.369 1.00 0.00 C ATOM 999 CG GLU A 104 -1.970 12.348 5.027 1.00 0.00 C ATOM 1000 CD GLU A 104 -2.241 13.833 5.172 1.00 0.00 C ATOM 1001 OE1 GLU A 104 -2.058 14.568 4.179 1.00 0.00 O ATOM 1002 OE2 GLU A 104 -2.635 14.260 6.277 1.00 0.00 O ATOM 0 H GLU A 104 -1.955 10.535 2.891 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.910 13.209 2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.315 11.051 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.115 12.745 4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.766 11.893 4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.995 11.880 6.011 1.00 0.00 H new ATOM 1009 N ARG A 105 1.634 12.812 2.367 1.00 0.00 N ATOM 1010 CA ARG A 105 2.988 12.626 1.858 1.00 0.00 C ATOM 1011 C ARG A 105 3.872 11.945 2.898 1.00 0.00 C ATOM 1012 O ARG A 105 4.601 11.005 2.585 1.00 0.00 O ATOM 1013 CB ARG A 105 3.595 13.973 1.460 1.00 0.00 C ATOM 1014 CG ARG A 105 5.040 13.877 1.000 1.00 0.00 C ATOM 1015 CD ARG A 105 5.386 14.984 0.015 1.00 0.00 C ATOM 1016 NE ARG A 105 6.750 14.861 -0.490 1.00 0.00 N ATOM 1017 CZ ARG A 105 7.814 15.343 0.142 1.00 0.00 C ATOM 1018 NH1 ARG A 105 7.672 15.977 1.298 1.00 0.00 N ATOM 1019 NH2 ARG A 105 9.024 15.191 -0.381 1.00 0.00 N ATOM 0 H ARG A 105 1.464 13.724 2.792 1.00 0.00 H new ATOM 0 HA ARG A 105 2.933 11.985 0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 105 2.996 14.410 0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.537 14.653 2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.703 13.937 1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 105 5.211 12.907 0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.686 14.957 -0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.265 15.952 0.501 1.00 0.00 H new ATOM 0 HE ARG A 105 6.894 14.378 -1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.744 16.095 1.704 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.491 16.346 1.781 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.138 14.703 -1.270 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.840 15.562 0.106 1.00 0.00 H new ATOM 1033 N GLU A 106 3.801 12.427 4.135 1.00 0.00 N ATOM 1034 CA GLU A 106 4.596 11.864 5.220 1.00 0.00 C ATOM 1035 C GLU A 106 4.143 10.444 5.547 1.00 0.00 C ATOM 1036 O GLU A 106 4.965 9.550 5.747 1.00 0.00 O ATOM 1037 CB GLU A 106 4.492 12.745 6.467 1.00 0.00 C ATOM 1038 CG GLU A 106 3.067 12.937 6.960 1.00 0.00 C ATOM 1039 CD GLU A 106 3.001 13.687 8.276 1.00 0.00 C ATOM 1040 OE1 GLU A 106 3.229 14.915 8.272 1.00 0.00 O ATOM 1041 OE2 GLU A 106 2.721 13.046 9.310 1.00 0.00 O ATOM 0 H GLU A 106 3.202 13.205 4.410 1.00 0.00 H new ATOM 0 HA GLU A 106 5.636 11.828 4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.087 12.302 7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.927 13.721 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.496 13.481 6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.593 11.963 7.077 1.00 0.00 H new ATOM 1048 N SER A 107 2.830 10.246 5.600 1.00 0.00 N ATOM 1049 CA SER A 107 2.267 8.936 5.907 1.00 0.00 C ATOM 1050 C SER A 107 2.915 7.852 5.051 1.00 0.00 C ATOM 1051 O SER A 107 3.428 6.861 5.570 1.00 0.00 O ATOM 1052 CB SER A 107 0.753 8.943 5.682 1.00 0.00 C ATOM 1053 OG SER A 107 0.152 7.781 6.226 1.00 0.00 O ATOM 0 H SER A 107 2.136 10.975 5.435 1.00 0.00 H new ATOM 0 HA SER A 107 2.471 8.717 6.955 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.318 9.831 6.141 1.00 0.00 H new ATOM 0 HB3 SER A 107 0.541 9.000 4.614 1.00 0.00 H new ATOM 0 HG SER A 107 -0.815 7.810 6.071 1.00 0.00 H new ATOM 1059 N ALA A 108 2.887 8.049 3.737 1.00 0.00 N ATOM 1060 CA ALA A 108 3.473 7.090 2.809 1.00 0.00 C ATOM 1061 C ALA A 108 4.829 6.603 3.306 1.00 0.00 C ATOM 1062 O ALA A 108 5.179 5.433 3.142 1.00 0.00 O ATOM 1063 CB ALA A 108 3.607 7.709 1.425 1.00 0.00 C ATOM 0 H ALA A 108 2.465 8.864 3.291 1.00 0.00 H new ATOM 0 HA ALA A 108 2.808 6.229 2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.046 6.982 0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.622 8.001 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.249 8.588 1.480 1.00 0.00 H new ATOM 1069 N LEU A 109 5.591 7.506 3.914 1.00 0.00 N ATOM 1070 CA LEU A 109 6.911 7.168 4.435 1.00 0.00 C ATOM 1071 C LEU A 109 6.816 6.065 5.484 1.00 0.00 C ATOM 1072 O LEU A 109 7.572 5.093 5.449 1.00 0.00 O ATOM 1073 CB LEU A 109 7.574 8.407 5.039 1.00 0.00 C ATOM 1074 CG LEU A 109 7.645 9.638 4.136 1.00 0.00 C ATOM 1075 CD1 LEU A 109 8.178 10.836 4.908 1.00 0.00 C ATOM 1076 CD2 LEU A 109 8.513 9.357 2.918 1.00 0.00 C ATOM 0 H LEU A 109 5.317 8.478 4.058 1.00 0.00 H new ATOM 0 HA LEU A 109 7.520 6.805 3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.034 8.678 5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.588 8.142 5.339 1.00 0.00 H new ATOM 0 HG LEU A 109 6.637 9.872 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.222 11.703 4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.517 11.051 5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.178 10.613 5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.552 10.245 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.521 9.097 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.089 8.528 2.352 1.00 0.00 H new ATOM 1088 N LYS A 110 5.881 6.220 6.415 1.00 0.00 N ATOM 1089 CA LYS A 110 5.684 5.236 7.473 1.00 0.00 C ATOM 1090 C LYS A 110 5.659 3.821 6.902 1.00 0.00 C ATOM 1091 O LYS A 110 6.582 3.038 7.121 1.00 0.00 O ATOM 1092 CB LYS A 110 4.380 5.518 8.223 1.00 0.00 C ATOM 1093 CG LYS A 110 4.422 5.117 9.687 1.00 0.00 C ATOM 1094 CD LYS A 110 4.806 6.288 10.575 1.00 0.00 C ATOM 1095 CE LYS A 110 6.315 6.397 10.732 1.00 0.00 C ATOM 1096 NZ LYS A 110 6.915 7.303 9.714 1.00 0.00 N ATOM 0 H LYS A 110 5.247 7.018 6.458 1.00 0.00 H new ATOM 0 HA LYS A 110 6.520 5.314 8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.153 6.582 8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.566 4.985 7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.447 4.735 9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.138 4.306 9.823 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.416 7.212 10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.345 6.169 11.555 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.550 6.766 11.730 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.762 5.407 10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.662 6.797 9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.179 7.611 9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.324 8.134 10.187 1.00 0.00 H new ATOM 1110 N ALA A 111 4.597 3.502 6.170 1.00 0.00 N ATOM 1111 CA ALA A 111 4.454 2.184 5.565 1.00 0.00 C ATOM 1112 C ALA A 111 5.669 1.837 4.712 1.00 0.00 C ATOM 1113 O ALA A 111 6.065 0.675 4.624 1.00 0.00 O ATOM 1114 CB ALA A 111 3.184 2.121 4.729 1.00 0.00 C ATOM 0 H ALA A 111 3.823 4.139 5.982 1.00 0.00 H new ATOM 0 HA ALA A 111 4.384 1.449 6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.091 1.131 4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.320 2.316 5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.230 2.871 3.940 1.00 0.00 H new ATOM 1120 N GLN A 112 6.255 2.851 4.084 1.00 0.00 N ATOM 1121 CA GLN A 112 7.424 2.651 3.236 1.00 0.00 C ATOM 1122 C GLN A 112 8.529 1.923 3.995 1.00 0.00 C ATOM 1123 O GLN A 112 8.928 0.820 3.622 1.00 0.00 O ATOM 1124 CB GLN A 112 7.943 3.995 2.722 1.00 0.00 C ATOM 1125 CG GLN A 112 8.871 3.871 1.524 1.00 0.00 C ATOM 1126 CD GLN A 112 9.687 5.127 1.286 1.00 0.00 C ATOM 1127 OE1 GLN A 112 10.917 5.100 1.333 1.00 0.00 O ATOM 1128 NE2 GLN A 112 9.005 6.236 1.027 1.00 0.00 N ATOM 0 H GLN A 112 5.940 3.819 4.146 1.00 0.00 H new ATOM 0 HA GLN A 112 7.125 2.036 2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.094 4.623 2.450 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.471 4.504 3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.545 3.028 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.282 3.651 0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.986 6.213 0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 112 9.500 7.111 0.857 1.00 0.00 H new ATOM 1137 N SER A 113 9.018 2.547 5.061 1.00 0.00 N ATOM 1138 CA SER A 113 10.080 1.960 5.870 1.00 0.00 C ATOM 1139 C SER A 113 9.527 0.872 6.785 1.00 0.00 C ATOM 1140 O SER A 113 10.258 -0.017 7.222 1.00 0.00 O ATOM 1141 CB SER A 113 10.772 3.041 6.704 1.00 0.00 C ATOM 1142 OG SER A 113 11.271 4.080 5.880 1.00 0.00 O ATOM 0 H SER A 113 8.696 3.459 5.385 1.00 0.00 H new ATOM 0 HA SER A 113 10.809 1.509 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.068 3.453 7.427 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.590 2.598 7.272 1.00 0.00 H new ATOM 0 HG SER A 113 11.707 4.759 6.437 1.00 0.00 H new ATOM 1148 N ALA A 114 8.231 0.949 7.070 1.00 0.00 N ATOM 1149 CA ALA A 114 7.579 -0.030 7.930 1.00 0.00 C ATOM 1150 C ALA A 114 7.333 -1.338 7.186 1.00 0.00 C ATOM 1151 O ALA A 114 7.158 -2.391 7.801 1.00 0.00 O ATOM 1152 CB ALA A 114 6.269 0.529 8.466 1.00 0.00 C ATOM 0 H ALA A 114 7.612 1.679 6.718 1.00 0.00 H new ATOM 0 HA ALA A 114 8.243 -0.240 8.769 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.792 -0.213 9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.468 1.433 9.042 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.608 0.768 7.633 1.00 0.00 H new ATOM 1158 N LEU A 115 7.320 -1.265 5.860 1.00 0.00 N ATOM 1159 CA LEU A 115 7.095 -2.444 5.031 1.00 0.00 C ATOM 1160 C LEU A 115 8.381 -2.870 4.329 1.00 0.00 C ATOM 1161 O LEU A 115 8.692 -4.059 4.249 1.00 0.00 O ATOM 1162 CB LEU A 115 6.004 -2.163 3.996 1.00 0.00 C ATOM 1163 CG LEU A 115 4.575 -2.078 4.533 1.00 0.00 C ATOM 1164 CD1 LEU A 115 3.644 -1.492 3.483 1.00 0.00 C ATOM 1165 CD2 LEU A 115 4.088 -3.452 4.973 1.00 0.00 C ATOM 0 H LEU A 115 7.463 -0.402 5.336 1.00 0.00 H new ATOM 0 HA LEU A 115 6.771 -3.258 5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.239 -1.224 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.040 -2.946 3.238 1.00 0.00 H new ATOM 0 HG LEU A 115 4.572 -1.418 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.632 -1.439 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.981 -0.490 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.651 -2.126 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.069 -3.373 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.107 -4.134 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.739 -3.834 5.759 1.00 0.00 H new ATOM 1177 N HIS A 116 9.125 -1.892 3.824 1.00 0.00 N ATOM 1178 CA HIS A 116 10.379 -2.165 3.132 1.00 0.00 C ATOM 1179 C HIS A 116 11.335 -2.947 4.027 1.00 0.00 C ATOM 1180 O HIS A 116 11.644 -2.523 5.140 1.00 0.00 O ATOM 1181 CB HIS A 116 11.035 -0.858 2.684 1.00 0.00 C ATOM 1182 CG HIS A 116 12.134 -1.051 1.685 1.00 0.00 C ATOM 1183 ND1 HIS A 116 11.916 -1.525 0.409 1.00 0.00 N ATOM 1184 CD2 HIS A 116 13.466 -0.828 1.780 1.00 0.00 C ATOM 1185 CE1 HIS A 116 13.066 -1.587 -0.238 1.00 0.00 C ATOM 1186 NE2 HIS A 116 14.022 -1.170 0.572 1.00 0.00 N ATOM 0 H HIS A 116 8.881 -0.903 3.881 1.00 0.00 H new ATOM 0 HA HIS A 116 10.155 -2.770 2.253 1.00 0.00 H new ATOM 0 HB2 HIS A 116 10.274 -0.208 2.253 1.00 0.00 H new ATOM 0 HB3 HIS A 116 11.436 -0.344 3.558 1.00 0.00 H new ATOM 0 HD2 HIS A 116 13.993 -0.451 2.644 1.00 0.00 H new ATOM 0 HE1 HIS A 116 13.201 -1.922 -1.256 1.00 0.00 H new ATOM 0 HE2 HIS A 116 15.013 -1.111 0.338 1.00 0.00 H new ATOM 1194 N GLU A 117 11.799 -4.091 3.534 1.00 0.00 N ATOM 1195 CA GLU A 117 12.718 -4.932 4.291 1.00 0.00 C ATOM 1196 C GLU A 117 12.313 -4.995 5.761 1.00 0.00 C ATOM 1197 O GLU A 117 13.165 -5.055 6.647 1.00 0.00 O ATOM 1198 CB GLU A 117 14.149 -4.403 4.167 1.00 0.00 C ATOM 1199 CG GLU A 117 14.728 -4.537 2.768 1.00 0.00 C ATOM 1200 CD GLU A 117 16.184 -4.122 2.698 1.00 0.00 C ATOM 1201 OE1 GLU A 117 16.464 -2.913 2.837 1.00 0.00 O ATOM 1202 OE2 GLU A 117 17.045 -5.006 2.504 1.00 0.00 O ATOM 0 H GLU A 117 11.553 -4.456 2.614 1.00 0.00 H new ATOM 0 HA GLU A 117 12.673 -5.939 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 117 14.166 -3.353 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 117 14.788 -4.939 4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 117 14.632 -5.571 2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 117 14.146 -3.926 2.078 1.00 0.00 H new ATOM 1209 N GLN A 118 11.008 -4.978 6.010 1.00 0.00 N ATOM 1210 CA GLN A 118 10.490 -5.031 7.372 1.00 0.00 C ATOM 1211 C GLN A 118 9.548 -6.218 7.551 1.00 0.00 C ATOM 1212 O GLN A 118 9.645 -6.959 8.529 1.00 0.00 O ATOM 1213 CB GLN A 118 9.761 -3.731 7.714 1.00 0.00 C ATOM 1214 CG GLN A 118 10.660 -2.675 8.338 1.00 0.00 C ATOM 1215 CD GLN A 118 9.916 -1.768 9.298 1.00 0.00 C ATOM 1216 OE1 GLN A 118 8.834 -2.106 9.777 1.00 0.00 O ATOM 1217 NE2 GLN A 118 10.494 -0.608 9.584 1.00 0.00 N ATOM 0 H GLN A 118 10.290 -4.928 5.287 1.00 0.00 H new ATOM 0 HA GLN A 118 11.334 -5.155 8.050 1.00 0.00 H new ATOM 0 HB2 GLN A 118 9.314 -3.325 6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 118 8.944 -3.952 8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.477 -3.166 8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 118 11.108 -2.072 7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 118 11.392 -0.368 9.164 1.00 0.00 H new ATOM 0 HE22 GLN A 118 10.040 0.044 10.224 1.00 0.00 H new ATOM 1226 N LYS A 119 8.638 -6.393 6.599 1.00 0.00 N ATOM 1227 CA LYS A 119 7.678 -7.489 6.650 1.00 0.00 C ATOM 1228 C LYS A 119 7.802 -8.377 5.416 1.00 0.00 C ATOM 1229 O LYS A 119 8.099 -7.899 4.320 1.00 0.00 O ATOM 1230 CB LYS A 119 6.253 -6.943 6.757 1.00 0.00 C ATOM 1231 CG LYS A 119 5.182 -8.016 6.666 1.00 0.00 C ATOM 1232 CD LYS A 119 3.886 -7.463 6.097 1.00 0.00 C ATOM 1233 CE LYS A 119 2.677 -8.221 6.625 1.00 0.00 C ATOM 1234 NZ LYS A 119 2.510 -9.538 5.949 1.00 0.00 N ATOM 0 H LYS A 119 8.545 -5.789 5.782 1.00 0.00 H new ATOM 0 HA LYS A 119 7.897 -8.090 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.146 -6.414 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.092 -6.213 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.537 -8.833 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.997 -8.432 7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.796 -6.408 6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.909 -7.525 5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.785 -8.375 7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 119 1.779 -7.621 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.548 -9.609 5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.203 -9.623 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 2.662 -10.303 6.637 1.00 0.00 H new ATOM 1248 N THR A 120 7.571 -9.674 5.599 1.00 0.00 N ATOM 1249 CA THR A 120 7.656 -10.628 4.501 1.00 0.00 C ATOM 1250 C THR A 120 6.322 -11.333 4.280 1.00 0.00 C ATOM 1251 O THR A 120 5.694 -11.806 5.228 1.00 0.00 O ATOM 1252 CB THR A 120 8.746 -11.686 4.760 1.00 0.00 C ATOM 1253 OG1 THR A 120 9.988 -11.044 5.067 1.00 0.00 O ATOM 1254 CG2 THR A 120 8.922 -12.589 3.548 1.00 0.00 C ATOM 0 H THR A 120 7.324 -10.087 6.498 1.00 0.00 H new ATOM 0 HA THR A 120 7.916 -10.060 3.608 1.00 0.00 H new ATOM 0 HB THR A 120 8.434 -12.297 5.607 1.00 0.00 H new ATOM 0 HG1 THR A 120 10.675 -11.723 5.232 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.696 -13.328 3.754 1.00 0.00 H new ATOM 0 HG22 THR A 120 7.982 -13.098 3.334 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.213 -11.989 2.686 1.00 0.00 H new ATOM 1262 N LEU A 121 5.895 -11.399 3.024 1.00 0.00 N ATOM 1263 CA LEU A 121 4.634 -12.047 2.678 1.00 0.00 C ATOM 1264 C LEU A 121 4.814 -13.557 2.556 1.00 0.00 C ATOM 1265 O LEU A 121 5.896 -14.055 2.245 1.00 0.00 O ATOM 1266 CB LEU A 121 4.089 -11.479 1.367 1.00 0.00 C ATOM 1267 CG LEU A 121 3.520 -10.061 1.436 1.00 0.00 C ATOM 1268 CD1 LEU A 121 3.250 -9.526 0.038 1.00 0.00 C ATOM 1269 CD2 LEU A 121 2.249 -10.036 2.273 1.00 0.00 C ATOM 0 H LEU A 121 6.403 -11.012 2.228 1.00 0.00 H new ATOM 0 HA LEU A 121 3.920 -11.848 3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 121 4.890 -11.492 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.307 -12.146 1.002 1.00 0.00 H new ATOM 0 HG LEU A 121 4.258 -9.417 1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 121 2.846 -8.516 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.180 -9.506 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.531 -10.171 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.858 -9.019 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.505 -10.694 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.472 -10.377 3.284 1.00 0.00 H new ATOM 1281 N PRO A 122 3.728 -14.304 2.803 1.00 0.00 N ATOM 1282 CA PRO A 122 3.740 -15.768 2.724 1.00 0.00 C ATOM 1283 C PRO A 122 3.880 -16.270 1.290 1.00 0.00 C ATOM 1284 O PRO A 122 3.048 -15.973 0.434 1.00 0.00 O ATOM 1285 CB PRO A 122 2.378 -16.165 3.299 1.00 0.00 C ATOM 1286 CG PRO A 122 1.508 -14.979 3.065 1.00 0.00 C ATOM 1287 CD PRO A 122 2.405 -13.778 3.178 1.00 0.00 C ATOM 0 HA PRO A 122 4.586 -16.198 3.260 1.00 0.00 H new ATOM 0 HB2 PRO A 122 1.982 -17.051 2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 122 2.450 -16.400 4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 122 1.041 -15.026 2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.703 -14.935 3.798 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.088 -12.976 2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 122 2.406 -13.371 4.189 1.00 0.00 H new ATOM 1295 N GLY A 123 4.938 -17.033 1.036 1.00 0.00 N ATOM 1296 CA GLY A 123 5.167 -17.564 -0.295 1.00 0.00 C ATOM 1297 C GLY A 123 6.460 -17.061 -0.906 1.00 0.00 C ATOM 1298 O GLY A 123 7.069 -17.740 -1.732 1.00 0.00 O ATOM 0 H GLY A 123 5.641 -17.293 1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 123 5.190 -18.653 -0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 123 4.333 -17.290 -0.941 1.00 0.00 H new ATOM 1302 N MET A 124 6.879 -15.867 -0.500 1.00 0.00 N ATOM 1303 CA MET A 124 8.107 -15.273 -1.014 1.00 0.00 C ATOM 1304 C MET A 124 9.227 -15.363 0.018 1.00 0.00 C ATOM 1305 O MET A 124 9.085 -14.888 1.144 1.00 0.00 O ATOM 1306 CB MET A 124 7.870 -13.812 -1.401 1.00 0.00 C ATOM 1307 CG MET A 124 6.731 -13.622 -2.388 1.00 0.00 C ATOM 1308 SD MET A 124 7.192 -14.064 -4.074 1.00 0.00 S ATOM 1309 CE MET A 124 7.974 -12.548 -4.620 1.00 0.00 C ATOM 0 H MET A 124 6.386 -15.292 0.183 1.00 0.00 H new ATOM 0 HA MET A 124 8.408 -15.831 -1.901 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.659 -13.236 -0.500 1.00 0.00 H new ATOM 0 HB3 MET A 124 8.785 -13.406 -1.832 1.00 0.00 H new ATOM 0 HG2 MET A 124 5.881 -14.229 -2.077 1.00 0.00 H new ATOM 0 HG3 MET A 124 6.405 -12.582 -2.365 1.00 0.00 H new ATOM 0 HE1 MET A 124 8.874 -12.787 -5.187 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.284 -11.990 -5.253 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.241 -11.944 -3.753 1.00 0.00 H new ATOM 1319 N ASN A 125 10.340 -15.974 -0.374 1.00 0.00 N ATOM 1320 CA ASN A 125 11.484 -16.126 0.518 1.00 0.00 C ATOM 1321 C ASN A 125 12.012 -14.766 0.962 1.00 0.00 C ATOM 1322 O ASN A 125 12.476 -14.607 2.091 1.00 0.00 O ATOM 1323 CB ASN A 125 12.596 -16.917 -0.175 1.00 0.00 C ATOM 1324 CG ASN A 125 12.301 -18.403 -0.230 1.00 0.00 C ATOM 1325 OD1 ASN A 125 12.665 -19.153 0.676 1.00 0.00 O ATOM 1326 ND2 ASN A 125 11.638 -18.836 -1.296 1.00 0.00 N ATOM 0 H ASN A 125 10.474 -16.372 -1.303 1.00 0.00 H new ATOM 0 HA ASN A 125 11.155 -16.673 1.401 1.00 0.00 H new ATOM 0 HB2 ASN A 125 12.730 -16.538 -1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 125 13.536 -16.755 0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 125 11.411 -19.826 -1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.356 -18.178 -2.023 1.00 0.00 H new ATOM 1333 N ARG A 126 11.938 -13.787 0.065 1.00 0.00 N ATOM 1334 CA ARG A 126 12.410 -12.440 0.364 1.00 0.00 C ATOM 1335 C ARG A 126 11.257 -11.549 0.818 1.00 0.00 C ATOM 1336 O ARG A 126 10.093 -11.785 0.495 1.00 0.00 O ATOM 1337 CB ARG A 126 13.087 -11.830 -0.864 1.00 0.00 C ATOM 1338 CG ARG A 126 14.455 -12.421 -1.162 1.00 0.00 C ATOM 1339 CD ARG A 126 15.270 -11.510 -2.067 1.00 0.00 C ATOM 1340 NE ARG A 126 15.714 -10.304 -1.374 1.00 0.00 N ATOM 1341 CZ ARG A 126 15.039 -9.160 -1.384 1.00 0.00 C ATOM 1342 NH1 ARG A 126 13.895 -9.067 -2.048 1.00 0.00 N ATOM 1343 NH2 ARG A 126 15.508 -8.106 -0.729 1.00 0.00 N ATOM 0 H ARG A 126 11.556 -13.902 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 126 13.136 -12.507 1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.443 -11.972 -1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.190 -10.755 -0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.993 -12.584 -0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.336 -13.395 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 126 16.138 -12.053 -2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.671 -11.230 -2.934 1.00 0.00 H new ATOM 0 HE ARG A 126 16.590 -10.342 -0.854 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.531 -9.875 -2.553 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.379 -8.187 -2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.388 -8.174 -0.217 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.989 -7.228 -0.737 1.00 0.00 H new ATOM 1357 N PRO A 127 11.587 -10.500 1.586 1.00 0.00 N ATOM 1358 CA PRO A 127 10.594 -9.553 2.101 1.00 0.00 C ATOM 1359 C PRO A 127 9.996 -8.684 1.000 1.00 0.00 C ATOM 1360 O PRO A 127 10.432 -8.737 -0.150 1.00 0.00 O ATOM 1361 CB PRO A 127 11.397 -8.695 3.083 1.00 0.00 C ATOM 1362 CG PRO A 127 12.803 -8.782 2.598 1.00 0.00 C ATOM 1363 CD PRO A 127 12.955 -10.158 2.010 1.00 0.00 C ATOM 0 HA PRO A 127 9.743 -10.061 2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 127 11.043 -7.664 3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 127 11.306 -9.069 4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 127 13.006 -8.014 1.852 1.00 0.00 H new ATOM 0 HG3 PRO A 127 13.508 -8.627 3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 127 13.649 -10.162 1.170 1.00 0.00 H new ATOM 0 HD3 PRO A 127 13.338 -10.868 2.743 1.00 0.00 H new ATOM 1371 N ILE A 128 8.998 -7.884 1.360 1.00 0.00 N ATOM 1372 CA ILE A 128 8.342 -7.003 0.402 1.00 0.00 C ATOM 1373 C ILE A 128 9.072 -5.668 0.294 1.00 0.00 C ATOM 1374 O ILE A 128 9.534 -5.121 1.295 1.00 0.00 O ATOM 1375 CB ILE A 128 6.874 -6.743 0.789 1.00 0.00 C ATOM 1376 CG1 ILE A 128 6.139 -6.040 -0.354 1.00 0.00 C ATOM 1377 CG2 ILE A 128 6.801 -5.913 2.062 1.00 0.00 C ATOM 1378 CD1 ILE A 128 4.634 -6.172 -0.277 1.00 0.00 C ATOM 0 H ILE A 128 8.626 -7.828 2.308 1.00 0.00 H new ATOM 0 HA ILE A 128 8.370 -7.509 -0.563 1.00 0.00 H new ATOM 0 HB ILE A 128 6.388 -7.701 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.403 -4.983 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 128 6.483 -6.450 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 128 5.757 -5.738 2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 128 7.293 -6.448 2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 128 7.301 -4.957 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 128 4.179 -5.650 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 128 4.359 -7.226 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 128 4.278 -5.736 0.656 1.00 0.00 H new ATOM 1390 N GLN A 129 9.169 -5.150 -0.926 1.00 0.00 N ATOM 1391 CA GLN A 129 9.841 -3.878 -1.163 1.00 0.00 C ATOM 1392 C GLN A 129 8.830 -2.770 -1.439 1.00 0.00 C ATOM 1393 O GLN A 129 7.884 -2.956 -2.205 1.00 0.00 O ATOM 1394 CB GLN A 129 10.812 -4.002 -2.339 1.00 0.00 C ATOM 1395 CG GLN A 129 11.978 -4.940 -2.068 1.00 0.00 C ATOM 1396 CD GLN A 129 13.097 -4.272 -1.294 1.00 0.00 C ATOM 1397 OE1 GLN A 129 13.025 -4.131 -0.073 1.00 0.00 O ATOM 1398 NE2 GLN A 129 14.140 -3.855 -2.002 1.00 0.00 N ATOM 0 H GLN A 129 8.791 -5.591 -1.765 1.00 0.00 H new ATOM 0 HA GLN A 129 10.400 -3.619 -0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 129 10.267 -4.356 -3.214 1.00 0.00 H new ATOM 0 HB3 GLN A 129 11.201 -3.014 -2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 129 11.621 -5.805 -1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 129 12.368 -5.311 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 129 14.158 -3.992 -3.013 1.00 0.00 H new ATOM 0 HE22 GLN A 129 14.923 -3.397 -1.535 1.00 0.00 H new ATOM 1407 N VAL A 130 9.035 -1.618 -0.809 1.00 0.00 N ATOM 1408 CA VAL A 130 8.141 -0.480 -0.987 1.00 0.00 C ATOM 1409 C VAL A 130 8.928 0.808 -1.204 1.00 0.00 C ATOM 1410 O VAL A 130 9.629 1.279 -0.309 1.00 0.00 O ATOM 1411 CB VAL A 130 7.211 -0.301 0.228 1.00 0.00 C ATOM 1412 CG1 VAL A 130 6.182 0.786 -0.043 1.00 0.00 C ATOM 1413 CG2 VAL A 130 6.531 -1.617 0.575 1.00 0.00 C ATOM 0 H VAL A 130 9.812 -1.448 -0.171 1.00 0.00 H new ATOM 0 HA VAL A 130 7.537 -0.687 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 130 7.813 0.008 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.534 0.898 0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 130 6.692 1.729 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 130 5.582 0.511 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 130 5.878 -1.473 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 130 5.941 -1.957 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.287 -2.365 0.814 1.00 0.00 H new ATOM 1423 N LYS A 131 8.807 1.374 -2.400 1.00 0.00 N ATOM 1424 CA LYS A 131 9.504 2.609 -2.737 1.00 0.00 C ATOM 1425 C LYS A 131 8.671 3.463 -3.687 1.00 0.00 C ATOM 1426 O LYS A 131 7.852 2.960 -4.456 1.00 0.00 O ATOM 1427 CB LYS A 131 10.861 2.296 -3.372 1.00 0.00 C ATOM 1428 CG LYS A 131 11.624 1.190 -2.664 1.00 0.00 C ATOM 1429 CD LYS A 131 13.122 1.315 -2.885 1.00 0.00 C ATOM 1430 CE LYS A 131 13.738 2.349 -1.955 1.00 0.00 C ATOM 1431 NZ LYS A 131 13.527 3.737 -2.451 1.00 0.00 N ATOM 0 H LYS A 131 8.232 0.996 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 131 9.661 3.170 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 131 10.708 2.012 -4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 131 11.469 3.201 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 131 11.409 1.225 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.282 0.221 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 131 13.597 0.348 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 131 13.316 1.594 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 131 13.302 2.249 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 131 14.806 2.157 -1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 14.357 4.319 -2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 13.395 3.721 -3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 12.682 4.142 -2.000 1.00 0.00 H new ATOM 1445 N PRO A 132 8.885 4.786 -3.636 1.00 0.00 N ATOM 1446 CA PRO A 132 8.164 5.737 -4.488 1.00 0.00 C ATOM 1447 C PRO A 132 8.572 5.629 -5.953 1.00 0.00 C ATOM 1448 O PRO A 132 9.759 5.573 -6.274 1.00 0.00 O ATOM 1449 CB PRO A 132 8.569 7.100 -3.919 1.00 0.00 C ATOM 1450 CG PRO A 132 9.890 6.863 -3.273 1.00 0.00 C ATOM 1451 CD PRO A 132 9.846 5.456 -2.744 1.00 0.00 C ATOM 0 HA PRO A 132 7.089 5.558 -4.479 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.642 7.851 -4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.835 7.462 -3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 132 10.702 6.985 -3.989 1.00 0.00 H new ATOM 0 HG3 PRO A 132 10.065 7.577 -2.468 1.00 0.00 H new ATOM 0 HD2 PRO A 132 10.827 4.982 -2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 132 9.517 5.427 -1.705 1.00 0.00 H new ATOM 1459 N ALA A 133 7.581 5.600 -6.838 1.00 0.00 N ATOM 1460 CA ALA A 133 7.838 5.501 -8.269 1.00 0.00 C ATOM 1461 C ALA A 133 8.492 6.773 -8.799 1.00 0.00 C ATOM 1462 O ALA A 133 7.825 7.788 -8.999 1.00 0.00 O ATOM 1463 CB ALA A 133 6.545 5.218 -9.019 1.00 0.00 C ATOM 0 H ALA A 133 6.593 5.644 -6.589 1.00 0.00 H new ATOM 0 HA ALA A 133 8.529 4.674 -8.433 1.00 0.00 H new ATOM 0 HB1 ALA A 133 6.752 5.147 -10.087 1.00 0.00 H new ATOM 0 HB2 ALA A 133 6.119 4.278 -8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 133 5.836 6.026 -8.840 1.00 0.00 H new