USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 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 55 GLN : amide:sc= -0.0551 K(o=-0.055,f=-1.3!) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 179:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.0055) USER MOD Single : A 10 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-3.5!) USER MOD Single : A 12 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.012) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 1 K(o=1,f=-0.4) USER MOD Single : A 23 THR OG1 : rot 73:sc= 0.442 USER MOD Single : A 24 HIS : no HD1:sc= -0.951 K(o=-0.95,f=-2.1!) USER MOD Single : A 27 ASN : amide:sc= 0.259 X(o=0.26,f=0) USER MOD Single : A 28 THR OG1 : rot -140:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.11) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.307 USER MOD Single : A 34 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.15) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -2.72 K(o=-2.7,f=-5.5!) USER MOD Single : A 40 TYR OH : rot 82:sc= 0.387 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 172:sc= 0 USER MOD Single : A 52 CYS SG : rot 94:sc= -2.98 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.064) USER MOD Single : A 67 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.6) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0.925 (180deg=0.911) USER MOD Single : A 74 SER OG : rot 22:sc= -1.27 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.1!) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.342 F(o=-1.2,f=-0.34) USER MOD Single : A 88 TYR OH : rot -22:sc= -0.126 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -8.940 10.671 9.325 1.00 0.00 N ATOM 69 CA HIS A 8 -8.160 10.354 8.134 1.00 0.00 C ATOM 70 C HIS A 8 -8.810 9.221 7.344 1.00 0.00 C ATOM 71 O HIS A 8 -8.491 8.049 7.549 1.00 0.00 O ATOM 72 CB HIS A 8 -6.732 9.966 8.523 1.00 0.00 C ATOM 73 CG HIS A 8 -6.035 11.001 9.350 1.00 0.00 C ATOM 74 ND1 HIS A 8 -6.061 11.030 10.727 1.00 0.00 N ATOM 75 CD2 HIS A 8 -5.276 12.061 8.969 1.00 0.00 C ATOM 76 CE1 HIS A 8 -5.335 12.082 11.131 1.00 0.00 C ATOM 77 NE2 HIS A 8 -4.837 12.740 10.102 1.00 0.00 N ATOM 0 HA HIS A 8 -8.129 11.242 7.503 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.757 9.027 9.076 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.153 9.787 7.617 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.049 12.334 7.949 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.178 12.355 12.164 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.251 13.574 10.131 1.00 0.00 H new ATOM 85 N PRO A 9 -9.731 9.555 6.424 1.00 0.00 N ATOM 86 CA PRO A 9 -10.425 8.558 5.602 1.00 0.00 C ATOM 87 C PRO A 9 -9.458 7.606 4.906 1.00 0.00 C ATOM 88 O PRO A 9 -9.812 6.472 4.584 1.00 0.00 O ATOM 89 CB PRO A 9 -11.174 9.406 4.570 1.00 0.00 C ATOM 90 CG PRO A 9 -11.371 10.724 5.235 1.00 0.00 C ATOM 91 CD PRO A 9 -10.170 10.929 6.115 1.00 0.00 C ATOM 0 HA PRO A 9 -11.074 7.918 6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.599 9.509 3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.128 8.952 4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.456 11.523 4.499 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.290 10.732 5.821 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.390 11.494 5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.425 11.482 7.019 1.00 0.00 H new ATOM 99 N HIS A 10 -8.236 8.075 4.675 1.00 0.00 N ATOM 100 CA HIS A 10 -7.218 7.267 4.015 1.00 0.00 C ATOM 101 C HIS A 10 -6.612 6.253 4.983 1.00 0.00 C ATOM 102 O HIS A 10 -6.678 5.046 4.753 1.00 0.00 O ATOM 103 CB HIS A 10 -6.118 8.163 3.443 1.00 0.00 C ATOM 104 CG HIS A 10 -6.641 9.346 2.691 1.00 0.00 C ATOM 105 ND1 HIS A 10 -6.376 10.654 3.034 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.431 9.402 1.588 1.00 0.00 C ATOM 107 CE1 HIS A 10 -6.999 11.445 2.151 1.00 0.00 C ATOM 108 NE2 HIS A 10 -7.654 10.735 1.252 1.00 0.00 N ATOM 0 H HIS A 10 -7.927 9.011 4.936 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.695 6.723 3.200 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.485 8.512 4.258 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.487 7.571 2.780 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.824 8.548 1.056 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.969 12.524 2.172 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.209 11.089 0.473 1.00 0.00 H new ATOM 116 N ILE A 11 -6.022 6.753 6.063 1.00 0.00 N ATOM 117 CA ILE A 11 -5.404 5.890 7.064 1.00 0.00 C ATOM 118 C ILE A 11 -6.451 5.057 7.795 1.00 0.00 C ATOM 119 O ILE A 11 -6.237 3.877 8.072 1.00 0.00 O ATOM 120 CB ILE A 11 -4.603 6.709 8.096 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.641 7.666 7.387 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.840 5.782 9.033 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.818 8.509 8.338 1.00 0.00 C ATOM 0 H ILE A 11 -5.958 7.750 6.268 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.723 5.226 6.531 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.302 7.299 8.689 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.969 7.089 6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.212 8.324 6.732 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.280 6.376 9.755 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.544 5.138 9.560 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.150 5.168 8.455 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.159 9.163 7.767 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.482 9.113 8.957 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.220 7.859 8.976 1.00 0.00 H new ATOM 135 N GLN A 12 -7.583 5.680 8.108 1.00 0.00 N ATOM 136 CA GLN A 12 -8.665 4.996 8.810 1.00 0.00 C ATOM 137 C GLN A 12 -9.151 3.786 8.017 1.00 0.00 C ATOM 138 O GLN A 12 -9.403 2.722 8.583 1.00 0.00 O ATOM 139 CB GLN A 12 -9.827 5.959 9.059 1.00 0.00 C ATOM 140 CG GLN A 12 -9.566 6.948 10.184 1.00 0.00 C ATOM 141 CD GLN A 12 -10.358 6.631 11.436 1.00 0.00 C ATOM 142 OE1 GLN A 12 -10.892 7.526 12.091 1.00 0.00 O ATOM 143 NE2 GLN A 12 -10.434 5.350 11.780 1.00 0.00 N ATOM 0 H GLN A 12 -7.775 6.657 7.887 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.280 4.647 9.768 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.034 6.511 8.142 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.722 5.383 9.293 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.502 6.949 10.422 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.817 7.953 9.845 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.976 4.640 11.208 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.950 5.076 12.616 1.00 0.00 H new ATOM 152 N LEU A 13 -9.283 3.957 6.707 1.00 0.00 N ATOM 153 CA LEU A 13 -9.740 2.878 5.837 1.00 0.00 C ATOM 154 C LEU A 13 -8.796 1.682 5.908 1.00 0.00 C ATOM 155 O LEU A 13 -9.217 0.537 5.744 1.00 0.00 O ATOM 156 CB LEU A 13 -9.850 3.371 4.393 1.00 0.00 C ATOM 157 CG LEU A 13 -11.166 4.069 4.046 1.00 0.00 C ATOM 158 CD1 LEU A 13 -11.081 4.714 2.671 1.00 0.00 C ATOM 159 CD2 LEU A 13 -12.323 3.082 4.103 1.00 0.00 C ATOM 0 H LEU A 13 -9.080 4.832 6.223 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.724 2.561 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.028 4.060 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.720 2.520 3.724 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.346 4.853 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.026 5.206 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.277 5.450 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.878 3.949 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.252 3.595 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.150 2.277 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.397 2.666 5.108 1.00 0.00 H new ATOM 171 N LEU A 14 -7.519 1.955 6.155 1.00 0.00 N ATOM 172 CA LEU A 14 -6.516 0.901 6.248 1.00 0.00 C ATOM 173 C LEU A 14 -6.524 0.262 7.632 1.00 0.00 C ATOM 174 O LEU A 14 -6.465 -0.961 7.764 1.00 0.00 O ATOM 175 CB LEU A 14 -5.126 1.462 5.941 1.00 0.00 C ATOM 176 CG LEU A 14 -4.959 2.051 4.539 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.818 3.055 4.516 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.720 0.945 3.522 1.00 0.00 C ATOM 0 H LEU A 14 -7.154 2.897 6.294 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.762 0.135 5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.894 2.235 6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.393 0.667 6.074 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.879 2.571 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.713 3.464 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.030 3.863 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.891 2.559 4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.603 1.382 2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.815 0.397 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.570 0.262 3.520 1.00 0.00 H new ATOM 190 N LYS A 15 -6.595 1.097 8.663 1.00 0.00 N ATOM 191 CA LYS A 15 -6.608 0.616 10.039 1.00 0.00 C ATOM 192 C LYS A 15 -7.873 -0.189 10.324 1.00 0.00 C ATOM 193 O LYS A 15 -7.803 -1.332 10.775 1.00 0.00 O ATOM 194 CB LYS A 15 -6.508 1.792 11.013 1.00 0.00 C ATOM 195 CG LYS A 15 -5.221 2.589 10.875 1.00 0.00 C ATOM 196 CD LYS A 15 -4.981 3.474 12.086 1.00 0.00 C ATOM 197 CE LYS A 15 -3.634 4.174 12.007 1.00 0.00 C ATOM 198 NZ LYS A 15 -3.700 5.569 12.525 1.00 0.00 N ATOM 0 H LYS A 15 -6.644 2.112 8.571 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.746 -0.036 10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.356 2.458 10.854 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.585 1.416 12.033 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.381 1.906 10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.268 3.205 9.977 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.775 4.218 12.157 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.026 2.871 12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.898 3.609 12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.292 4.187 10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.761 6.011 12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.384 6.116 11.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.001 5.556 13.520 1.00 0.00 H new ATOM 212 N SER A 16 -9.027 0.415 10.058 1.00 0.00 N ATOM 213 CA SER A 16 -10.306 -0.247 10.287 1.00 0.00 C ATOM 214 C SER A 16 -10.414 -1.526 9.462 1.00 0.00 C ATOM 215 O SER A 16 -10.812 -2.574 9.972 1.00 0.00 O ATOM 216 CB SER A 16 -11.461 0.696 9.944 1.00 0.00 C ATOM 217 OG SER A 16 -11.936 1.364 11.099 1.00 0.00 O ATOM 0 H SER A 16 -9.102 1.361 9.684 1.00 0.00 H new ATOM 0 HA SER A 16 -10.365 -0.513 11.342 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.130 1.428 9.207 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.273 0.130 9.488 1.00 0.00 H new ATOM 0 HG SER A 16 -12.672 1.961 10.852 1.00 0.00 H new ATOM 223 N ASN A 17 -10.060 -1.433 8.184 1.00 0.00 N ATOM 224 CA ASN A 17 -10.119 -2.584 7.290 1.00 0.00 C ATOM 225 C ASN A 17 -8.748 -3.239 7.153 1.00 0.00 C ATOM 226 O ASN A 17 -8.376 -3.703 6.076 1.00 0.00 O ATOM 227 CB ASN A 17 -10.634 -2.160 5.913 1.00 0.00 C ATOM 228 CG ASN A 17 -11.892 -1.317 6.001 1.00 0.00 C ATOM 229 OD1 ASN A 17 -12.971 -1.822 6.311 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.758 -0.025 5.726 1.00 0.00 N ATOM 0 H ASN A 17 -9.730 -0.574 7.745 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.807 -3.311 7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.858 -1.597 5.395 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.836 -3.048 5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.569 0.592 5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.844 0.351 5.473 1.00 0.00 H new ATOM 237 N ARG A 18 -8.002 -3.274 8.252 1.00 0.00 N ATOM 238 CA ARG A 18 -6.673 -3.873 8.254 1.00 0.00 C ATOM 239 C ARG A 18 -6.749 -5.369 7.967 1.00 0.00 C ATOM 240 O ARG A 18 -6.072 -5.874 7.072 1.00 0.00 O ATOM 241 CB ARG A 18 -5.986 -3.634 9.601 1.00 0.00 C ATOM 242 CG ARG A 18 -4.576 -4.199 9.672 1.00 0.00 C ATOM 243 CD ARG A 18 -3.872 -3.778 10.952 1.00 0.00 C ATOM 244 NE ARG A 18 -3.898 -2.329 11.140 1.00 0.00 N ATOM 245 CZ ARG A 18 -3.675 -1.729 12.307 1.00 0.00 C ATOM 246 NH1 ARG A 18 -3.410 -2.447 13.391 1.00 0.00 N ATOM 247 NH2 ARG A 18 -3.717 -0.406 12.391 1.00 0.00 N ATOM 0 H ARG A 18 -8.295 -2.895 9.152 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.087 -3.400 7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.950 -2.562 9.796 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.588 -4.082 10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.616 -5.287 9.618 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.002 -3.858 8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.349 -4.263 11.804 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.838 -4.122 10.927 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.099 -1.743 10.330 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.376 -3.465 13.333 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.240 -1.981 14.282 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.920 0.152 11.561 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.546 0.054 13.285 1.00 0.00 H new ATOM 261 N GLU A 19 -7.577 -6.072 8.734 1.00 0.00 N ATOM 262 CA GLU A 19 -7.741 -7.510 8.561 1.00 0.00 C ATOM 263 C GLU A 19 -8.333 -7.831 7.192 1.00 0.00 C ATOM 264 O GLU A 19 -8.024 -8.863 6.596 1.00 0.00 O ATOM 265 CB GLU A 19 -8.637 -8.078 9.663 1.00 0.00 C ATOM 266 CG GLU A 19 -8.197 -7.691 11.065 1.00 0.00 C ATOM 267 CD GLU A 19 -9.029 -8.358 12.142 1.00 0.00 C ATOM 268 OE1 GLU A 19 -8.664 -9.475 12.568 1.00 0.00 O ATOM 269 OE2 GLU A 19 -10.044 -7.764 12.561 1.00 0.00 O ATOM 0 H GLU A 19 -8.144 -5.669 9.480 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.756 -7.973 8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.658 -7.732 9.503 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.652 -9.165 9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.150 -7.961 11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.264 -6.609 11.177 1.00 0.00 H new ATOM 276 N LEU A 20 -9.185 -6.938 6.698 1.00 0.00 N ATOM 277 CA LEU A 20 -9.821 -7.125 5.399 1.00 0.00 C ATOM 278 C LEU A 20 -8.802 -6.999 4.272 1.00 0.00 C ATOM 279 O LEU A 20 -8.906 -7.676 3.249 1.00 0.00 O ATOM 280 CB LEU A 20 -10.942 -6.102 5.205 1.00 0.00 C ATOM 281 CG LEU A 20 -11.913 -6.416 4.065 1.00 0.00 C ATOM 282 CD1 LEU A 20 -12.570 -7.771 4.281 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.967 -5.324 3.950 1.00 0.00 C ATOM 0 H LEU A 20 -9.451 -6.078 7.178 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.245 -8.129 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.508 -6.025 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.494 -5.125 5.022 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.350 -6.453 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.257 -7.977 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.804 -8.545 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.120 -7.763 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.650 -5.562 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.526 -5.258 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.481 -4.369 3.749 1.00 0.00 H new ATOM 295 N LEU A 21 -7.816 -6.131 4.467 1.00 0.00 N ATOM 296 CA LEU A 21 -6.777 -5.916 3.466 1.00 0.00 C ATOM 297 C LEU A 21 -5.866 -7.135 3.358 1.00 0.00 C ATOM 298 O LEU A 21 -5.336 -7.432 2.287 1.00 0.00 O ATOM 299 CB LEU A 21 -5.949 -4.677 3.816 1.00 0.00 C ATOM 300 CG LEU A 21 -6.690 -3.344 3.686 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.146 -2.330 4.683 1.00 0.00 C ATOM 302 CD2 LEU A 21 -6.582 -2.814 2.265 1.00 0.00 C ATOM 0 H LEU A 21 -7.714 -5.565 5.309 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.263 -5.760 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.589 -4.777 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.071 -4.651 3.171 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.744 -3.510 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.685 -1.389 4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.277 -2.710 5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.086 -2.165 4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.114 -1.866 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.533 -2.663 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.022 -3.533 1.574 1.00 0.00 H new ATOM 314 N VAL A 22 -5.687 -7.835 4.473 1.00 0.00 N ATOM 315 CA VAL A 22 -4.840 -9.021 4.504 1.00 0.00 C ATOM 316 C VAL A 22 -5.505 -10.191 3.788 1.00 0.00 C ATOM 317 O VAL A 22 -4.830 -11.043 3.210 1.00 0.00 O ATOM 318 CB VAL A 22 -4.510 -9.439 5.948 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.470 -10.548 5.960 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.032 -8.241 6.755 1.00 0.00 C ATOM 0 H VAL A 22 -6.118 -7.601 5.368 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.915 -8.761 3.989 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.419 -9.821 6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.250 -10.830 6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.855 -11.414 5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.558 -10.197 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.803 -8.556 7.773 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.136 -7.826 6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.814 -7.482 6.777 1.00 0.00 H new ATOM 330 N THR A 23 -6.833 -10.227 3.829 1.00 0.00 N ATOM 331 CA THR A 23 -7.589 -11.294 3.184 1.00 0.00 C ATOM 332 C THR A 23 -7.790 -10.999 1.701 1.00 0.00 C ATOM 333 O THR A 23 -7.650 -11.884 0.857 1.00 0.00 O ATOM 334 CB THR A 23 -8.944 -11.474 3.869 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.804 -11.430 5.278 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.625 -12.778 3.515 1.00 0.00 C ATOM 0 H THR A 23 -7.408 -9.530 4.302 1.00 0.00 H new ATOM 0 HA THR A 23 -7.018 -12.218 3.278 1.00 0.00 H new ATOM 0 HB THR A 23 -9.561 -10.651 3.508 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.623 -10.509 5.560 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.581 -12.842 4.035 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.793 -12.820 2.439 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.992 -13.613 3.816 1.00 0.00 H new ATOM 344 N HIS A 24 -8.119 -9.749 1.392 1.00 0.00 N ATOM 345 CA HIS A 24 -8.339 -9.337 0.010 1.00 0.00 C ATOM 346 C HIS A 24 -7.021 -9.272 -0.755 1.00 0.00 C ATOM 347 O HIS A 24 -6.858 -9.924 -1.786 1.00 0.00 O ATOM 348 CB HIS A 24 -9.033 -7.974 -0.034 1.00 0.00 C ATOM 349 CG HIS A 24 -10.501 -8.041 0.254 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.208 -9.217 0.370 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.400 -7.043 0.450 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.485 -8.905 0.627 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.654 -7.597 0.687 1.00 0.00 N ATOM 0 H HIS A 24 -8.239 -9.004 2.079 1.00 0.00 H new ATOM 0 HA HIS A 24 -8.979 -10.080 -0.466 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.559 -7.310 0.689 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.884 -7.531 -1.019 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.177 -5.987 0.426 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.274 -9.629 0.767 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.524 -7.096 0.869 1.00 0.00 H new ATOM 361 N ILE A 25 -6.084 -8.482 -0.243 1.00 0.00 N ATOM 362 CA ILE A 25 -4.781 -8.331 -0.878 1.00 0.00 C ATOM 363 C ILE A 25 -3.897 -9.545 -0.613 1.00 0.00 C ATOM 364 O ILE A 25 -3.668 -9.921 0.536 1.00 0.00 O ATOM 365 CB ILE A 25 -4.057 -7.066 -0.381 1.00 0.00 C ATOM 366 CG1 ILE A 25 -4.987 -5.854 -0.461 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.791 -6.824 -1.192 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.484 -4.653 0.310 1.00 0.00 C ATOM 0 H ILE A 25 -6.203 -7.936 0.610 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.960 -8.241 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.774 -7.215 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.118 -5.575 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.969 -6.134 -0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.292 -5.926 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.123 -7.679 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.051 -6.694 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.194 -3.832 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.380 -4.914 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.516 -4.346 -0.085 1.00 0.00 H new ATOM 380 N ARG A 26 -3.402 -10.155 -1.686 1.00 0.00 N ATOM 381 CA ARG A 26 -2.542 -11.328 -1.570 1.00 0.00 C ATOM 382 C ARG A 26 -1.160 -11.047 -2.152 1.00 0.00 C ATOM 383 O ARG A 26 -0.144 -11.455 -1.588 1.00 0.00 O ATOM 384 CB ARG A 26 -3.176 -12.522 -2.285 1.00 0.00 C ATOM 385 CG ARG A 26 -4.426 -13.049 -1.597 1.00 0.00 C ATOM 386 CD ARG A 26 -4.340 -14.546 -1.346 1.00 0.00 C ATOM 387 NE ARG A 26 -3.283 -14.880 -0.394 1.00 0.00 N ATOM 388 CZ ARG A 26 -3.391 -14.717 0.923 1.00 0.00 C ATOM 389 NH1 ARG A 26 -4.506 -14.223 1.447 1.00 0.00 N ATOM 390 NH2 ARG A 26 -2.382 -15.047 1.717 1.00 0.00 N ATOM 0 H ARG A 26 -3.582 -9.857 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.430 -11.564 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.427 -12.232 -3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.443 -13.325 -2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.567 -12.529 -0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.299 -12.833 -2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.297 -14.906 -0.967 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.156 -15.062 -2.288 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.410 -15.261 -0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.285 -13.967 0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.584 -14.100 2.457 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.523 -15.426 1.319 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.465 -14.922 2.726 1.00 0.00 H new ATOM 404 N ASN A 27 -1.130 -10.347 -3.282 1.00 0.00 N ATOM 405 CA ASN A 27 0.128 -10.011 -3.939 1.00 0.00 C ATOM 406 C ASN A 27 0.741 -8.756 -3.329 1.00 0.00 C ATOM 407 O ASN A 27 0.305 -7.640 -3.609 1.00 0.00 O ATOM 408 CB ASN A 27 -0.095 -9.807 -5.439 1.00 0.00 C ATOM 409 CG ASN A 27 -0.706 -11.025 -6.103 1.00 0.00 C ATOM 410 OD1 ASN A 27 -0.020 -12.013 -6.366 1.00 0.00 O ATOM 411 ND2 ASN A 27 -2.004 -10.960 -6.377 1.00 0.00 N ATOM 0 H ASN A 27 -1.962 -10.002 -3.761 1.00 0.00 H new ATOM 0 HA ASN A 27 0.820 -10.840 -3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.747 -8.947 -5.593 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.857 -9.575 -5.917 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.471 -11.749 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.534 -10.121 -6.141 1.00 0.00 H new ATOM 418 N THR A 28 1.757 -8.946 -2.492 1.00 0.00 N ATOM 419 CA THR A 28 2.431 -7.829 -1.842 1.00 0.00 C ATOM 420 C THR A 28 3.634 -7.368 -2.657 1.00 0.00 C ATOM 421 O THR A 28 3.985 -6.189 -2.653 1.00 0.00 O ATOM 422 CB THR A 28 2.877 -8.226 -0.433 1.00 0.00 C ATOM 423 OG1 THR A 28 3.839 -9.264 -0.486 1.00 0.00 O ATOM 424 CG2 THR A 28 1.738 -8.700 0.443 1.00 0.00 C ATOM 0 H THR A 28 2.131 -9.863 -2.249 1.00 0.00 H new ATOM 0 HA THR A 28 1.724 -7.002 -1.774 1.00 0.00 H new ATOM 0 HB THR A 28 3.297 -7.320 0.004 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.666 -9.907 0.233 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.123 -8.966 1.428 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.001 -7.903 0.544 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.269 -9.573 -0.011 1.00 0.00 H new ATOM 432 N GLN A 29 4.264 -8.308 -3.356 1.00 0.00 N ATOM 433 CA GLN A 29 5.428 -7.998 -4.178 1.00 0.00 C ATOM 434 C GLN A 29 5.081 -6.968 -5.249 1.00 0.00 C ATOM 435 O GLN A 29 5.902 -6.120 -5.598 1.00 0.00 O ATOM 436 CB GLN A 29 5.971 -9.271 -4.831 1.00 0.00 C ATOM 437 CG GLN A 29 7.155 -9.876 -4.095 1.00 0.00 C ATOM 438 CD GLN A 29 8.382 -8.985 -4.134 1.00 0.00 C ATOM 439 OE1 GLN A 29 8.974 -8.679 -3.099 1.00 0.00 O ATOM 440 NE2 GLN A 29 8.768 -8.563 -5.332 1.00 0.00 N ATOM 0 H GLN A 29 3.988 -9.290 -3.369 1.00 0.00 H new ATOM 0 HA GLN A 29 6.196 -7.575 -3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.172 -10.010 -4.886 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.268 -9.046 -5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.877 -10.061 -3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.398 -10.842 -4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.247 -8.842 -6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.586 -7.960 -5.421 1.00 0.00 H new ATOM 449 N CYS A 30 3.860 -7.049 -5.766 1.00 0.00 N ATOM 450 CA CYS A 30 3.404 -6.124 -6.797 1.00 0.00 C ATOM 451 C CYS A 30 3.211 -4.724 -6.224 1.00 0.00 C ATOM 452 O CYS A 30 3.608 -3.732 -6.835 1.00 0.00 O ATOM 453 CB CYS A 30 2.096 -6.620 -7.415 1.00 0.00 C ATOM 454 SG CYS A 30 2.171 -8.315 -8.040 1.00 0.00 S ATOM 0 H CYS A 30 3.168 -7.745 -5.488 1.00 0.00 H new ATOM 0 HA CYS A 30 4.169 -6.078 -7.572 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.306 -6.554 -6.667 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.818 -5.955 -8.232 1.00 0.00 H new ATOM 0 HG CYS A 30 1.017 -8.644 -8.541 1.00 0.00 H new ATOM 460 N LEU A 31 2.598 -4.652 -5.047 1.00 0.00 N ATOM 461 CA LEU A 31 2.353 -3.373 -4.391 1.00 0.00 C ATOM 462 C LEU A 31 3.665 -2.689 -4.022 1.00 0.00 C ATOM 463 O LEU A 31 3.840 -1.494 -4.257 1.00 0.00 O ATOM 464 CB LEU A 31 1.500 -3.576 -3.137 1.00 0.00 C ATOM 465 CG LEU A 31 0.050 -3.986 -3.398 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.478 -4.839 -2.255 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.824 -2.757 -3.597 1.00 0.00 C ATOM 0 H LEU A 31 2.262 -5.464 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 31 1.815 -2.732 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.971 -4.338 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.502 -2.650 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 31 0.020 -4.580 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.511 -5.121 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.132 -5.738 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.433 -4.271 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.852 -3.068 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.788 -2.136 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.459 -2.185 -4.450 1.00 0.00 H new ATOM 479 N VAL A 32 4.584 -3.455 -3.445 1.00 0.00 N ATOM 480 CA VAL A 32 5.880 -2.923 -3.044 1.00 0.00 C ATOM 481 C VAL A 32 6.713 -2.533 -4.262 1.00 0.00 C ATOM 482 O VAL A 32 7.451 -1.549 -4.231 1.00 0.00 O ATOM 483 CB VAL A 32 6.670 -3.942 -2.202 1.00 0.00 C ATOM 484 CG1 VAL A 32 7.926 -3.303 -1.629 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.797 -4.512 -1.092 1.00 0.00 C ATOM 0 H VAL A 32 4.455 -4.447 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 32 5.685 -2.037 -2.439 1.00 0.00 H new ATOM 0 HB VAL A 32 6.973 -4.764 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.471 -4.038 -1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.559 -2.951 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.649 -2.461 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.373 -5.230 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.460 -3.704 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.932 -5.011 -1.529 1.00 0.00 H new ATOM 495 N ASP A 33 6.587 -3.312 -5.332 1.00 0.00 N ATOM 496 CA ASP A 33 7.328 -3.047 -6.561 1.00 0.00 C ATOM 497 C ASP A 33 6.977 -1.672 -7.121 1.00 0.00 C ATOM 498 O ASP A 33 7.858 -0.905 -7.507 1.00 0.00 O ATOM 499 CB ASP A 33 7.031 -4.128 -7.602 1.00 0.00 C ATOM 500 CG ASP A 33 8.114 -5.187 -7.660 1.00 0.00 C ATOM 501 OD1 ASP A 33 8.641 -5.557 -6.590 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.437 -5.646 -8.776 1.00 0.00 O ATOM 0 H ASP A 33 5.980 -4.131 -5.373 1.00 0.00 H new ATOM 0 HA ASP A 33 8.392 -3.062 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.077 -4.600 -7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.926 -3.665 -8.583 1.00 0.00 H new ATOM 507 N ASN A 34 5.684 -1.368 -7.162 1.00 0.00 N ATOM 508 CA ASN A 34 5.216 -0.085 -7.675 1.00 0.00 C ATOM 509 C ASN A 34 5.619 1.052 -6.743 1.00 0.00 C ATOM 510 O ASN A 34 6.090 2.097 -7.191 1.00 0.00 O ATOM 511 CB ASN A 34 3.696 -0.105 -7.848 1.00 0.00 C ATOM 512 CG ASN A 34 3.226 -1.263 -8.704 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.815 -1.560 -9.745 1.00 0.00 O ATOM 514 ND2 ASN A 34 2.160 -1.926 -8.272 1.00 0.00 N ATOM 0 H ASN A 34 4.942 -1.992 -6.846 1.00 0.00 H new ATOM 0 HA ASN A 34 5.682 0.083 -8.646 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.223 -0.166 -6.868 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.372 0.832 -8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.798 -2.715 -8.808 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.703 -1.646 -7.404 1.00 0.00 H new ATOM 521 N LEU A 35 5.431 0.841 -5.444 1.00 0.00 N ATOM 522 CA LEU A 35 5.776 1.849 -4.448 1.00 0.00 C ATOM 523 C LEU A 35 7.255 2.215 -4.531 1.00 0.00 C ATOM 524 O LEU A 35 7.640 3.349 -4.250 1.00 0.00 O ATOM 525 CB LEU A 35 5.442 1.344 -3.043 1.00 0.00 C ATOM 526 CG LEU A 35 3.949 1.263 -2.721 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.715 0.421 -1.476 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.368 2.659 -2.541 1.00 0.00 C ATOM 0 H LEU A 35 5.042 -0.019 -5.057 1.00 0.00 H new ATOM 0 HA LEU A 35 5.188 2.743 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.880 0.354 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.920 1.999 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 35 3.441 0.783 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.647 0.375 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.096 -0.587 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.235 0.870 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.305 2.584 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.881 3.164 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.502 3.230 -3.460 1.00 0.00 H new ATOM 540 N LEU A 36 8.077 1.246 -4.921 1.00 0.00 N ATOM 541 CA LEU A 36 9.513 1.467 -5.043 1.00 0.00 C ATOM 542 C LEU A 36 9.824 2.377 -6.228 1.00 0.00 C ATOM 543 O LEU A 36 10.641 3.291 -6.123 1.00 0.00 O ATOM 544 CB LEU A 36 10.244 0.132 -5.203 1.00 0.00 C ATOM 545 CG LEU A 36 10.374 -0.692 -3.921 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.831 -2.106 -4.240 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.338 -0.023 -2.953 1.00 0.00 C ATOM 0 H LEU A 36 7.773 0.301 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 36 9.860 1.955 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.719 -0.465 -5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.242 0.326 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 36 9.394 -0.748 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.918 -2.677 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.103 -2.584 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.800 -2.072 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.418 -0.623 -2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.320 0.064 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.968 0.970 -2.699 1.00 0.00 H new ATOM 559 N LYS A 37 9.166 2.120 -7.354 1.00 0.00 N ATOM 560 CA LYS A 37 9.370 2.916 -8.558 1.00 0.00 C ATOM 561 C LYS A 37 8.760 4.305 -8.401 1.00 0.00 C ATOM 562 O LYS A 37 9.244 5.277 -8.981 1.00 0.00 O ATOM 563 CB LYS A 37 8.760 2.212 -9.770 1.00 0.00 C ATOM 564 CG LYS A 37 9.282 2.731 -11.101 1.00 0.00 C ATOM 565 CD LYS A 37 9.752 1.598 -12.000 1.00 0.00 C ATOM 566 CE LYS A 37 9.719 1.999 -13.466 1.00 0.00 C ATOM 567 NZ LYS A 37 9.692 0.812 -14.365 1.00 0.00 N ATOM 0 H LYS A 37 8.487 1.366 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 37 10.443 3.026 -8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.965 1.144 -9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.677 2.331 -9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.497 3.294 -11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.107 3.422 -10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.766 1.310 -11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.119 0.724 -11.847 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.841 2.617 -13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.593 2.609 -13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.670 1.127 -15.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.542 0.235 -14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.845 0.243 -14.164 1.00 0.00 H new ATOM 581 N ASN A 38 7.694 4.391 -7.610 1.00 0.00 N ATOM 582 CA ASN A 38 7.016 5.660 -7.373 1.00 0.00 C ATOM 583 C ASN A 38 7.734 6.486 -6.304 1.00 0.00 C ATOM 584 O ASN A 38 7.300 7.588 -5.969 1.00 0.00 O ATOM 585 CB ASN A 38 5.568 5.411 -6.950 1.00 0.00 C ATOM 586 CG ASN A 38 4.838 4.485 -7.903 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.116 3.582 -7.477 1.00 0.00 O ATOM 588 ND2 ASN A 38 5.021 4.704 -9.199 1.00 0.00 N ATOM 0 H ASN A 38 7.282 3.596 -7.122 1.00 0.00 H new ATOM 0 HA ASN A 38 7.031 6.225 -8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.554 4.981 -5.948 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.039 6.363 -6.896 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.555 4.113 -9.887 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.628 5.464 -9.507 1.00 0.00 H new ATOM 595 N ASP A 39 8.832 5.950 -5.770 1.00 0.00 N ATOM 596 CA ASP A 39 9.599 6.643 -4.742 1.00 0.00 C ATOM 597 C ASP A 39 8.764 6.840 -3.479 1.00 0.00 C ATOM 598 O ASP A 39 8.701 7.939 -2.929 1.00 0.00 O ATOM 599 CB ASP A 39 10.095 7.995 -5.262 1.00 0.00 C ATOM 600 CG ASP A 39 11.251 7.852 -6.233 1.00 0.00 C ATOM 601 OD1 ASP A 39 11.053 7.245 -7.306 1.00 0.00 O ATOM 602 OD2 ASP A 39 12.353 8.348 -5.920 1.00 0.00 O ATOM 0 H ASP A 39 9.207 5.039 -6.034 1.00 0.00 H new ATOM 0 HA ASP A 39 10.461 6.025 -4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.273 8.516 -5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.406 8.613 -4.420 1.00 0.00 H new ATOM 607 N TYR A 40 8.128 5.765 -3.026 1.00 0.00 N ATOM 608 CA TYR A 40 7.297 5.815 -1.828 1.00 0.00 C ATOM 609 C TYR A 40 7.886 4.942 -0.724 1.00 0.00 C ATOM 610 O TYR A 40 7.909 5.332 0.443 1.00 0.00 O ATOM 611 CB TYR A 40 5.873 5.360 -2.149 1.00 0.00 C ATOM 612 CG TYR A 40 4.993 6.461 -2.696 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.125 6.894 -4.010 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.031 7.068 -1.899 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.322 7.899 -4.514 1.00 0.00 C ATOM 616 CE2 TYR A 40 3.224 8.074 -2.395 1.00 0.00 C ATOM 617 CZ TYR A 40 3.373 8.486 -3.702 1.00 0.00 C ATOM 618 OH TYR A 40 2.572 9.488 -4.200 1.00 0.00 O ATOM 0 H TYR A 40 8.172 4.848 -3.470 1.00 0.00 H new ATOM 0 HA TYR A 40 7.269 6.847 -1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.915 4.547 -2.874 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.417 4.958 -1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.868 6.437 -4.648 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.912 6.748 -0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.436 8.223 -5.538 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.480 8.535 -1.762 1.00 0.00 H new ATOM 0 HH TYR A 40 1.826 9.093 -4.699 1.00 0.00 H new ATOM 628 N PHE A 41 8.362 3.761 -1.104 1.00 0.00 N ATOM 629 CA PHE A 41 8.952 2.832 -0.147 1.00 0.00 C ATOM 630 C PHE A 41 10.467 2.770 -0.316 1.00 0.00 C ATOM 631 O PHE A 41 10.989 3.001 -1.407 1.00 0.00 O ATOM 632 CB PHE A 41 8.350 1.436 -0.323 1.00 0.00 C ATOM 633 CG PHE A 41 7.149 1.187 0.544 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.043 2.019 0.474 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.125 0.120 1.428 1.00 0.00 C ATOM 636 CE1 PHE A 41 4.936 1.793 1.271 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.022 -0.112 2.227 1.00 0.00 C ATOM 638 CZ PHE A 41 4.926 0.726 2.148 1.00 0.00 C ATOM 0 H PHE A 41 8.351 3.425 -2.067 1.00 0.00 H new ATOM 0 HA PHE A 41 8.730 3.192 0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.069 1.299 -1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.112 0.690 -0.098 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.046 2.854 -0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.979 -0.538 1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.081 2.450 1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.016 -0.947 2.912 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.062 0.547 2.771 1.00 0.00 H new ATOM 648 N SER A 42 11.167 2.456 0.769 1.00 0.00 N ATOM 649 CA SER A 42 12.622 2.364 0.738 1.00 0.00 C ATOM 650 C SER A 42 13.076 0.909 0.774 1.00 0.00 C ATOM 651 O SER A 42 12.268 0.000 0.970 1.00 0.00 O ATOM 652 CB SER A 42 13.227 3.129 1.917 1.00 0.00 C ATOM 653 OG SER A 42 12.825 4.489 1.903 1.00 0.00 O ATOM 0 H SER A 42 10.751 2.261 1.680 1.00 0.00 H new ATOM 0 HA SER A 42 12.970 2.811 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.917 2.665 2.853 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.314 3.067 1.875 1.00 0.00 H new ATOM 0 HG SER A 42 13.223 4.956 2.667 1.00 0.00 H new ATOM 659 N ALA A 43 14.374 0.694 0.586 1.00 0.00 N ATOM 660 CA ALA A 43 14.937 -0.650 0.596 1.00 0.00 C ATOM 661 C ALA A 43 14.761 -1.308 1.960 1.00 0.00 C ATOM 662 O ALA A 43 14.591 -2.524 2.058 1.00 0.00 O ATOM 663 CB ALA A 43 16.408 -0.609 0.213 1.00 0.00 C ATOM 0 H ALA A 43 15.056 1.435 0.425 1.00 0.00 H new ATOM 0 HA ALA A 43 14.399 -1.248 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.815 -1.620 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.512 -0.187 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.953 0.010 0.926 1.00 0.00 H new ATOM 669 N GLU A 44 14.802 -0.497 3.012 1.00 0.00 N ATOM 670 CA GLU A 44 14.648 -1.000 4.372 1.00 0.00 C ATOM 671 C GLU A 44 13.230 -1.513 4.604 1.00 0.00 C ATOM 672 O GLU A 44 13.031 -2.562 5.217 1.00 0.00 O ATOM 673 CB GLU A 44 14.979 0.097 5.385 1.00 0.00 C ATOM 674 CG GLU A 44 16.463 0.211 5.695 1.00 0.00 C ATOM 675 CD GLU A 44 16.733 0.959 6.985 1.00 0.00 C ATOM 676 OE1 GLU A 44 15.836 0.987 7.854 1.00 0.00 O ATOM 677 OE2 GLU A 44 17.842 1.517 7.127 1.00 0.00 O ATOM 0 H GLU A 44 14.941 0.512 2.949 1.00 0.00 H new ATOM 0 HA GLU A 44 15.342 -1.830 4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.622 1.053 5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.437 -0.099 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.894 -0.788 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.964 0.721 4.872 1.00 0.00 H new ATOM 684 N ASP A 45 12.248 -0.765 4.111 1.00 0.00 N ATOM 685 CA ASP A 45 10.848 -1.144 4.265 1.00 0.00 C ATOM 686 C ASP A 45 10.577 -2.499 3.620 1.00 0.00 C ATOM 687 O ASP A 45 9.997 -3.389 4.242 1.00 0.00 O ATOM 688 CB ASP A 45 9.939 -0.082 3.646 1.00 0.00 C ATOM 689 CG ASP A 45 9.780 1.134 4.537 1.00 0.00 C ATOM 690 OD1 ASP A 45 9.786 0.967 5.775 1.00 0.00 O ATOM 691 OD2 ASP A 45 9.648 2.253 3.997 1.00 0.00 O ATOM 0 H ASP A 45 12.396 0.106 3.602 1.00 0.00 H new ATOM 0 HA ASP A 45 10.634 -1.219 5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.349 0.227 2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.959 -0.516 3.450 1.00 0.00 H new ATOM 696 N ALA A 46 11.001 -2.649 2.370 1.00 0.00 N ATOM 697 CA ALA A 46 10.804 -3.896 1.639 1.00 0.00 C ATOM 698 C ALA A 46 11.449 -5.069 2.369 1.00 0.00 C ATOM 699 O ALA A 46 10.976 -6.203 2.281 1.00 0.00 O ATOM 700 CB ALA A 46 11.366 -3.775 0.230 1.00 0.00 C ATOM 0 H ALA A 46 11.484 -1.922 1.841 1.00 0.00 H new ATOM 0 HA ALA A 46 9.733 -4.087 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.213 -4.712 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.856 -2.969 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.433 -3.557 0.281 1.00 0.00 H new ATOM 706 N GLU A 47 12.530 -4.790 3.090 1.00 0.00 N ATOM 707 CA GLU A 47 13.239 -5.824 3.836 1.00 0.00 C ATOM 708 C GLU A 47 12.413 -6.296 5.028 1.00 0.00 C ATOM 709 O GLU A 47 12.476 -7.463 5.415 1.00 0.00 O ATOM 710 CB GLU A 47 14.596 -5.298 4.311 1.00 0.00 C ATOM 711 CG GLU A 47 15.774 -5.880 3.549 1.00 0.00 C ATOM 712 CD GLU A 47 17.093 -5.674 4.267 1.00 0.00 C ATOM 713 OE1 GLU A 47 17.322 -4.557 4.779 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.896 -6.628 4.321 1.00 0.00 O ATOM 0 H GLU A 47 12.934 -3.857 3.174 1.00 0.00 H new ATOM 0 HA GLU A 47 13.400 -6.673 3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.610 -4.213 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.713 -5.523 5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.611 -6.947 3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.826 -5.420 2.562 1.00 0.00 H new ATOM 721 N ILE A 48 11.639 -5.384 5.605 1.00 0.00 N ATOM 722 CA ILE A 48 10.801 -5.708 6.752 1.00 0.00 C ATOM 723 C ILE A 48 9.590 -6.536 6.332 1.00 0.00 C ATOM 724 O ILE A 48 9.271 -7.547 6.956 1.00 0.00 O ATOM 725 CB ILE A 48 10.314 -4.436 7.474 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.495 -3.514 7.784 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.572 -4.800 8.751 1.00 0.00 C ATOM 728 CD1 ILE A 48 11.123 -2.049 7.830 1.00 0.00 C ATOM 0 H ILE A 48 11.575 -4.414 5.297 1.00 0.00 H new ATOM 0 HA ILE A 48 11.417 -6.290 7.437 1.00 0.00 H new ATOM 0 HB ILE A 48 9.626 -3.906 6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.927 -3.801 8.743 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.268 -3.661 7.029 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.235 -3.890 9.248 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.710 -5.420 8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.239 -5.351 9.415 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.009 -1.455 8.055 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.718 -1.746 6.864 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.373 -1.888 8.604 1.00 0.00 H new ATOM 740 N VAL A 49 8.920 -6.100 5.270 1.00 0.00 N ATOM 741 CA VAL A 49 7.746 -6.802 4.766 1.00 0.00 C ATOM 742 C VAL A 49 8.089 -8.235 4.375 1.00 0.00 C ATOM 743 O VAL A 49 7.495 -9.187 4.882 1.00 0.00 O ATOM 744 CB VAL A 49 7.138 -6.080 3.548 1.00 0.00 C ATOM 745 CG1 VAL A 49 5.813 -6.718 3.155 1.00 0.00 C ATOM 746 CG2 VAL A 49 6.958 -4.599 3.840 1.00 0.00 C ATOM 0 H VAL A 49 9.170 -5.264 4.742 1.00 0.00 H new ATOM 0 HA VAL A 49 7.014 -6.814 5.573 1.00 0.00 H new ATOM 0 HB VAL A 49 7.826 -6.180 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.399 -6.195 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.975 -7.765 2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.115 -6.651 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.528 -4.106 2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.291 -4.475 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.926 -4.153 4.068 1.00 0.00 H new ATOM 756 N CYS A 50 9.053 -8.382 3.471 1.00 0.00 N ATOM 757 CA CYS A 50 9.476 -9.700 3.013 1.00 0.00 C ATOM 758 C CYS A 50 9.983 -10.544 4.178 1.00 0.00 C ATOM 759 O CYS A 50 9.863 -11.770 4.168 1.00 0.00 O ATOM 760 CB CYS A 50 10.571 -9.567 1.952 1.00 0.00 C ATOM 761 SG CYS A 50 9.946 -9.282 0.279 1.00 0.00 S ATOM 0 H CYS A 50 9.555 -7.605 3.042 1.00 0.00 H new ATOM 0 HA CYS A 50 8.612 -10.199 2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.231 -8.744 2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.175 -10.474 1.953 1.00 0.00 H new ATOM 0 HG CYS A 50 10.940 -9.021 -0.517 1.00 0.00 H new ATOM 767 N ALA A 51 10.548 -9.881 5.181 1.00 0.00 N ATOM 768 CA ALA A 51 11.072 -10.569 6.355 1.00 0.00 C ATOM 769 C ALA A 51 9.979 -11.360 7.069 1.00 0.00 C ATOM 770 O ALA A 51 10.267 -12.282 7.832 1.00 0.00 O ATOM 771 CB ALA A 51 11.711 -9.570 7.308 1.00 0.00 C ATOM 0 H ALA A 51 10.655 -8.867 5.204 1.00 0.00 H new ATOM 0 HA ALA A 51 11.831 -11.276 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.098 -10.096 8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.528 -9.056 6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.965 -8.841 7.625 1.00 0.00 H new ATOM 777 N CYS A 52 8.723 -10.994 6.821 1.00 0.00 N ATOM 778 CA CYS A 52 7.590 -11.672 7.443 1.00 0.00 C ATOM 779 C CYS A 52 7.673 -13.184 7.240 1.00 0.00 C ATOM 780 O CYS A 52 8.338 -13.659 6.319 1.00 0.00 O ATOM 781 CB CYS A 52 6.275 -11.141 6.869 1.00 0.00 C ATOM 782 SG CYS A 52 5.705 -9.603 7.632 1.00 0.00 S ATOM 0 H CYS A 52 8.465 -10.232 6.194 1.00 0.00 H new ATOM 0 HA CYS A 52 7.623 -11.468 8.513 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.397 -10.979 5.798 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.504 -11.902 6.991 1.00 0.00 H new ATOM 0 HG CYS A 52 6.123 -8.590 6.932 1.00 0.00 H new ATOM 788 N PRO A 53 6.998 -13.961 8.103 1.00 0.00 N ATOM 789 CA PRO A 53 6.999 -15.423 8.017 1.00 0.00 C ATOM 790 C PRO A 53 6.081 -15.940 6.914 1.00 0.00 C ATOM 791 O PRO A 53 6.403 -16.909 6.228 1.00 0.00 O ATOM 792 CB PRO A 53 6.482 -15.850 9.388 1.00 0.00 C ATOM 793 CG PRO A 53 5.592 -14.735 9.816 1.00 0.00 C ATOM 794 CD PRO A 53 6.181 -13.476 9.233 1.00 0.00 C ATOM 0 HA PRO A 53 7.984 -15.820 7.772 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.938 -16.793 9.331 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.301 -15.997 10.093 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.574 -14.890 9.458 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.541 -14.673 10.903 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.404 -12.788 8.899 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.787 -12.942 9.965 1.00 0.00 H new ATOM 802 N THR A 54 4.936 -15.286 6.752 1.00 0.00 N ATOM 803 CA THR A 54 3.969 -15.680 5.734 1.00 0.00 C ATOM 804 C THR A 54 3.486 -14.469 4.942 1.00 0.00 C ATOM 805 O THR A 54 3.943 -13.347 5.165 1.00 0.00 O ATOM 806 CB THR A 54 2.779 -16.389 6.380 1.00 0.00 C ATOM 807 OG1 THR A 54 2.200 -15.581 7.388 1.00 0.00 O ATOM 808 CG2 THR A 54 3.143 -17.717 7.009 1.00 0.00 C ATOM 0 H THR A 54 4.655 -14.481 7.312 1.00 0.00 H new ATOM 0 HA THR A 54 4.463 -16.366 5.046 1.00 0.00 H new ATOM 0 HB THR A 54 2.076 -16.570 5.567 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.439 -16.052 7.788 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.253 -18.167 7.449 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.547 -18.383 6.246 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.892 -17.559 7.785 1.00 0.00 H new ATOM 816 N GLN A 55 2.560 -14.703 4.018 1.00 0.00 N ATOM 817 CA GLN A 55 2.016 -13.631 3.192 1.00 0.00 C ATOM 818 C GLN A 55 1.114 -12.713 4.014 1.00 0.00 C ATOM 819 O GLN A 55 1.300 -11.496 4.025 1.00 0.00 O ATOM 820 CB GLN A 55 1.237 -14.214 2.011 1.00 0.00 C ATOM 821 CG GLN A 55 1.626 -13.613 0.670 1.00 0.00 C ATOM 822 CD GLN A 55 2.934 -14.165 0.141 1.00 0.00 C ATOM 823 OE1 GLN A 55 3.318 -15.292 0.455 1.00 0.00 O ATOM 824 NE2 GLN A 55 3.629 -13.372 -0.666 1.00 0.00 N ATOM 0 H GLN A 55 2.171 -15.625 3.822 1.00 0.00 H new ATOM 0 HA GLN A 55 2.849 -13.041 2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.397 -15.292 1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.171 -14.055 2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.835 -13.807 -0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.707 -12.531 0.771 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.274 -12.445 -0.900 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.518 -13.690 -1.052 1.00 0.00 H new ATOM 833 N PRO A 56 0.119 -13.285 4.717 1.00 0.00 N ATOM 834 CA PRO A 56 -0.812 -12.508 5.542 1.00 0.00 C ATOM 835 C PRO A 56 -0.092 -11.549 6.484 1.00 0.00 C ATOM 836 O PRO A 56 -0.632 -10.508 6.858 1.00 0.00 O ATOM 837 CB PRO A 56 -1.559 -13.579 6.337 1.00 0.00 C ATOM 838 CG PRO A 56 -1.494 -14.798 5.483 1.00 0.00 C ATOM 839 CD PRO A 56 -0.175 -14.730 4.761 1.00 0.00 C ATOM 0 HA PRO A 56 -1.462 -11.876 4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.092 -13.750 7.307 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.591 -13.283 6.527 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.561 -15.702 6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.324 -14.824 4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.602 -15.282 5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.243 -15.157 3.760 1.00 0.00 H new ATOM 847 N ASP A 57 1.131 -11.906 6.863 1.00 0.00 N ATOM 848 CA ASP A 57 1.926 -11.076 7.761 1.00 0.00 C ATOM 849 C ASP A 57 2.575 -9.923 7.002 1.00 0.00 C ATOM 850 O ASP A 57 2.787 -8.844 7.556 1.00 0.00 O ATOM 851 CB ASP A 57 3.000 -11.918 8.451 1.00 0.00 C ATOM 852 CG ASP A 57 2.545 -12.446 9.798 1.00 0.00 C ATOM 853 OD1 ASP A 57 1.324 -12.635 9.979 1.00 0.00 O ATOM 854 OD2 ASP A 57 3.409 -12.668 10.672 1.00 0.00 O ATOM 0 H ASP A 57 1.593 -12.764 6.562 1.00 0.00 H new ATOM 0 HA ASP A 57 1.260 -10.660 8.517 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.270 -12.756 7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.899 -11.316 8.585 1.00 0.00 H new ATOM 859 N LYS A 58 2.889 -10.159 5.733 1.00 0.00 N ATOM 860 CA LYS A 58 3.515 -9.140 4.898 1.00 0.00 C ATOM 861 C LYS A 58 2.574 -7.959 4.685 1.00 0.00 C ATOM 862 O LYS A 58 2.968 -6.803 4.837 1.00 0.00 O ATOM 863 CB LYS A 58 3.920 -9.735 3.549 1.00 0.00 C ATOM 864 CG LYS A 58 4.997 -10.802 3.654 1.00 0.00 C ATOM 865 CD LYS A 58 4.969 -11.743 2.460 1.00 0.00 C ATOM 866 CE LYS A 58 6.056 -11.401 1.454 1.00 0.00 C ATOM 867 NZ LYS A 58 6.668 -12.622 0.861 1.00 0.00 N ATOM 0 H LYS A 58 2.720 -11.047 5.260 1.00 0.00 H new ATOM 0 HA LYS A 58 4.407 -8.782 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.039 -10.165 3.072 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.275 -8.935 2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.976 -10.327 3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.856 -11.373 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.099 -12.770 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.994 -11.689 1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.635 -10.784 0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.829 -10.808 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.393 -12.346 0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.107 -13.190 1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.932 -13.184 0.387 1.00 0.00 H new ATOM 881 N VAL A 59 1.328 -8.258 4.332 1.00 0.00 N ATOM 882 CA VAL A 59 0.329 -7.221 4.098 1.00 0.00 C ATOM 883 C VAL A 59 0.118 -6.372 5.347 1.00 0.00 C ATOM 884 O VAL A 59 -0.122 -5.168 5.257 1.00 0.00 O ATOM 885 CB VAL A 59 -1.020 -7.828 3.668 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.003 -6.733 3.287 1.00 0.00 C ATOM 887 CG2 VAL A 59 -0.825 -8.804 2.515 1.00 0.00 C ATOM 0 H VAL A 59 0.986 -9.210 4.202 1.00 0.00 H new ATOM 0 HA VAL A 59 0.707 -6.591 3.293 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.434 -8.378 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.949 -7.182 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.168 -6.078 4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.598 -6.152 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.789 -9.222 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.387 -8.281 1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.160 -9.609 2.828 1.00 0.00 H new ATOM 897 N ARG A 60 0.208 -7.008 6.510 1.00 0.00 N ATOM 898 CA ARG A 60 0.026 -6.311 7.778 1.00 0.00 C ATOM 899 C ARG A 60 1.196 -5.371 8.054 1.00 0.00 C ATOM 900 O ARG A 60 1.035 -4.334 8.698 1.00 0.00 O ATOM 901 CB ARG A 60 -0.118 -7.318 8.921 1.00 0.00 C ATOM 902 CG ARG A 60 -1.250 -6.990 9.880 1.00 0.00 C ATOM 903 CD ARG A 60 -1.513 -8.135 10.844 1.00 0.00 C ATOM 904 NE ARG A 60 -0.637 -8.079 12.012 1.00 0.00 N ATOM 905 CZ ARG A 60 -0.836 -7.271 13.050 1.00 0.00 C ATOM 906 NH1 ARG A 60 -1.881 -6.452 13.072 1.00 0.00 N ATOM 907 NH2 ARG A 60 0.011 -7.281 14.070 1.00 0.00 N ATOM 0 H ARG A 60 0.406 -8.005 6.601 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.885 -5.717 7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.284 -8.310 8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.818 -7.360 9.478 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.003 -6.089 10.442 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.156 -6.774 9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.553 -8.104 11.169 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.369 -9.084 10.328 1.00 0.00 H new ATOM 0 HE ARG A 60 0.175 -8.696 12.033 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.536 -6.440 12.290 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.028 -5.835 13.871 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.815 -7.908 14.059 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.142 -6.661 14.866 1.00 0.00 H new ATOM 921 N LYS A 61 2.375 -5.740 7.561 1.00 0.00 N ATOM 922 CA LYS A 61 3.572 -4.930 7.755 1.00 0.00 C ATOM 923 C LYS A 61 3.545 -3.696 6.860 1.00 0.00 C ATOM 924 O LYS A 61 3.945 -2.608 7.275 1.00 0.00 O ATOM 925 CB LYS A 61 4.825 -5.758 7.464 1.00 0.00 C ATOM 926 CG LYS A 61 6.121 -5.033 7.789 1.00 0.00 C ATOM 927 CD LYS A 61 6.200 -4.669 9.263 1.00 0.00 C ATOM 928 CE LYS A 61 6.160 -5.904 10.148 1.00 0.00 C ATOM 929 NZ LYS A 61 4.826 -6.088 10.784 1.00 0.00 N ATOM 0 H LYS A 61 2.526 -6.594 7.025 1.00 0.00 H new ATOM 0 HA LYS A 61 3.594 -4.602 8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.781 -6.683 8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.829 -6.038 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.969 -5.664 7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.195 -4.129 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.119 -4.115 9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.371 -4.009 9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.403 -6.785 9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.923 -5.821 10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.864 -6.891 11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.567 -5.225 11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.114 -6.277 10.050 1.00 0.00 H new ATOM 943 N ILE A 62 3.074 -3.872 5.630 1.00 0.00 N ATOM 944 CA ILE A 62 2.995 -2.771 4.677 1.00 0.00 C ATOM 945 C ILE A 62 2.004 -1.710 5.147 1.00 0.00 C ATOM 946 O ILE A 62 2.280 -0.513 5.072 1.00 0.00 O ATOM 947 CB ILE A 62 2.583 -3.265 3.277 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.509 -4.391 2.813 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.602 -2.116 2.279 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.931 -5.227 1.692 1.00 0.00 C ATOM 0 H ILE A 62 2.741 -4.766 5.270 1.00 0.00 H new ATOM 0 HA ILE A 62 3.991 -2.332 4.616 1.00 0.00 H new ATOM 0 HB ILE A 62 1.567 -3.655 3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.454 -3.960 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.732 -5.039 3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.308 -2.483 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.904 -1.343 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.607 -1.698 2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.642 -6.005 1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.000 -5.687 2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.734 -4.592 0.829 1.00 0.00 H new ATOM 962 N LEU A 63 0.850 -2.157 5.633 1.00 0.00 N ATOM 963 CA LEU A 63 -0.180 -1.244 6.115 1.00 0.00 C ATOM 964 C LEU A 63 0.334 -0.422 7.293 1.00 0.00 C ATOM 965 O LEU A 63 0.069 0.776 7.389 1.00 0.00 O ATOM 966 CB LEU A 63 -1.431 -2.022 6.529 1.00 0.00 C ATOM 967 CG LEU A 63 -2.075 -2.854 5.418 1.00 0.00 C ATOM 968 CD1 LEU A 63 -2.922 -3.970 6.010 1.00 0.00 C ATOM 969 CD2 LEU A 63 -2.916 -1.968 4.511 1.00 0.00 C ATOM 0 H LEU A 63 0.605 -3.145 5.703 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.437 -0.564 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.171 -2.685 7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.170 -1.316 6.908 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.283 -3.305 4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.372 -4.551 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.294 -4.620 6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.708 -3.540 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.367 -2.575 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.701 -1.490 5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.283 -1.204 4.060 1.00 0.00 H new ATOM 981 N ASP A 64 1.069 -1.076 8.187 1.00 0.00 N ATOM 982 CA ASP A 64 1.621 -0.406 9.358 1.00 0.00 C ATOM 983 C ASP A 64 2.630 0.663 8.949 1.00 0.00 C ATOM 984 O ASP A 64 2.726 1.713 9.583 1.00 0.00 O ATOM 985 CB ASP A 64 2.286 -1.425 10.287 1.00 0.00 C ATOM 986 CG ASP A 64 2.058 -1.107 11.752 1.00 0.00 C ATOM 987 OD1 ASP A 64 0.934 -1.347 12.243 1.00 0.00 O ATOM 988 OD2 ASP A 64 3.002 -0.620 12.408 1.00 0.00 O ATOM 0 H ASP A 64 1.296 -2.068 8.123 1.00 0.00 H new ATOM 0 HA ASP A 64 0.802 0.079 9.889 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.897 -2.419 10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.357 -1.451 10.086 1.00 0.00 H new ATOM 993 N LEU A 65 3.378 0.386 7.887 1.00 0.00 N ATOM 994 CA LEU A 65 4.380 1.324 7.393 1.00 0.00 C ATOM 995 C LEU A 65 3.717 2.568 6.809 1.00 0.00 C ATOM 996 O LEU A 65 3.972 3.686 7.256 1.00 0.00 O ATOM 997 CB LEU A 65 5.257 0.654 6.333 1.00 0.00 C ATOM 998 CG LEU A 65 6.384 -0.220 6.884 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.979 -1.082 5.782 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.458 0.642 7.529 1.00 0.00 C ATOM 0 H LEU A 65 3.310 -0.480 7.352 1.00 0.00 H new ATOM 0 HA LEU A 65 5.005 1.627 8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.622 0.041 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.694 1.428 5.702 1.00 0.00 H new ATOM 0 HG LEU A 65 5.968 -0.879 7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.779 -1.697 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.204 -1.726 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.380 -0.442 4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.253 0.004 7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.870 1.326 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.022 1.215 8.347 1.00 0.00 H new ATOM 1012 N VAL A 66 2.865 2.364 5.808 1.00 0.00 N ATOM 1013 CA VAL A 66 2.164 3.467 5.161 1.00 0.00 C ATOM 1014 C VAL A 66 1.410 4.316 6.180 1.00 0.00 C ATOM 1015 O VAL A 66 1.296 5.532 6.027 1.00 0.00 O ATOM 1016 CB VAL A 66 1.170 2.956 4.101 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.575 4.116 3.319 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.850 1.965 3.168 1.00 0.00 C ATOM 0 H VAL A 66 2.644 1.444 5.428 1.00 0.00 H new ATOM 0 HA VAL A 66 2.923 4.079 4.673 1.00 0.00 H new ATOM 0 HB VAL A 66 0.356 2.441 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.124 3.733 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.049 4.783 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.373 4.664 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.134 1.614 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.685 2.453 2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.220 1.117 3.745 1.00 0.00 H new ATOM 1028 N GLN A 67 0.897 3.665 7.219 1.00 0.00 N ATOM 1029 CA GLN A 67 0.153 4.360 8.263 1.00 0.00 C ATOM 1030 C GLN A 67 1.066 5.288 9.061 1.00 0.00 C ATOM 1031 O GLN A 67 0.611 6.280 9.632 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.510 3.350 9.202 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.758 2.707 8.621 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.156 1.440 9.352 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.484 1.015 10.291 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.255 0.828 8.923 1.00 0.00 N ATOM 0 H GLN A 67 0.983 2.658 7.360 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.617 4.964 7.783 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.210 2.569 9.449 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.770 3.850 10.135 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.582 3.420 8.662 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.588 2.477 7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.782 1.216 8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.571 -0.029 9.376 1.00 0.00 H new ATOM 1045 N SER A 68 2.354 4.961 9.097 1.00 0.00 N ATOM 1046 CA SER A 68 3.326 5.768 9.825 1.00 0.00 C ATOM 1047 C SER A 68 3.874 6.889 8.949 1.00 0.00 C ATOM 1048 O SER A 68 4.212 7.966 9.441 1.00 0.00 O ATOM 1049 CB SER A 68 4.474 4.891 10.327 1.00 0.00 C ATOM 1050 OG SER A 68 4.957 5.347 11.578 1.00 0.00 O ATOM 0 H SER A 68 2.748 4.144 8.631 1.00 0.00 H new ATOM 0 HA SER A 68 2.818 6.216 10.679 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.134 3.860 10.420 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.284 4.895 9.598 1.00 0.00 H new ATOM 0 HG SER A 68 5.689 4.768 11.877 1.00 0.00 H new ATOM 1056 N LYS A 69 3.960 6.629 7.648 1.00 0.00 N ATOM 1057 CA LYS A 69 4.468 7.618 6.704 1.00 0.00 C ATOM 1058 C LYS A 69 3.614 8.881 6.725 1.00 0.00 C ATOM 1059 O LYS A 69 4.071 9.944 7.147 1.00 0.00 O ATOM 1060 CB LYS A 69 4.500 7.034 5.290 1.00 0.00 C ATOM 1061 CG LYS A 69 5.212 5.694 5.201 1.00 0.00 C ATOM 1062 CD LYS A 69 5.718 5.423 3.794 1.00 0.00 C ATOM 1063 CE LYS A 69 6.635 4.211 3.754 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.814 4.435 2.872 1.00 0.00 N ATOM 0 H LYS A 69 3.685 5.743 7.224 1.00 0.00 H new ATOM 0 HA LYS A 69 5.482 7.882 7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.477 6.917 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.993 7.743 4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.049 5.679 5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.531 4.898 5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.871 5.262 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.253 6.298 3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.975 3.980 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.076 3.345 3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.431 3.598 2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.492 4.597 1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.343 5.266 3.204 1.00 0.00 H new ATOM 1078 N GLY A 70 2.372 8.758 6.268 1.00 0.00 N ATOM 1079 CA GLY A 70 1.475 9.898 6.245 1.00 0.00 C ATOM 1080 C GLY A 70 0.373 9.750 5.214 1.00 0.00 C ATOM 1081 O GLY A 70 0.277 8.723 4.542 1.00 0.00 O ATOM 0 H GLY A 70 1.971 7.890 5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.030 10.026 7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.047 10.802 6.034 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.460 10.777 5.090 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.561 10.758 4.133 1.00 0.00 C ATOM 1087 C GLU A 71 -1.039 10.724 2.701 1.00 0.00 C ATOM 1088 O GLU A 71 -1.684 10.178 1.807 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.459 11.979 4.333 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.317 11.906 5.585 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.678 12.549 5.398 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -4.730 13.692 4.898 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -5.691 11.909 5.751 1.00 0.00 O ATOM 0 H GLU A 71 -0.394 11.633 5.640 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.145 9.854 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.837 12.873 4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.108 12.088 3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.449 10.862 5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.797 12.398 6.407 1.00 0.00 H new ATOM 1100 N GLU A 72 0.134 11.314 2.489 1.00 0.00 N ATOM 1101 CA GLU A 72 0.744 11.353 1.164 1.00 0.00 C ATOM 1102 C GLU A 72 0.958 9.944 0.619 1.00 0.00 C ATOM 1103 O GLU A 72 0.916 9.722 -0.591 1.00 0.00 O ATOM 1104 CB GLU A 72 2.078 12.100 1.215 1.00 0.00 C ATOM 1105 CG GLU A 72 2.598 12.511 -0.153 1.00 0.00 C ATOM 1106 CD GLU A 72 2.788 14.011 -0.279 1.00 0.00 C ATOM 1107 OE1 GLU A 72 1.871 14.761 0.115 1.00 0.00 O ATOM 1108 OE2 GLU A 72 3.855 14.433 -0.773 1.00 0.00 O ATOM 0 H GLU A 72 0.681 11.772 3.218 1.00 0.00 H new ATOM 0 HA GLU A 72 0.064 11.881 0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.963 12.990 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.821 11.468 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.548 12.011 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.901 12.171 -0.919 1.00 0.00 H new ATOM 1115 N VAL A 73 1.190 8.994 1.520 1.00 0.00 N ATOM 1116 CA VAL A 73 1.411 7.608 1.129 1.00 0.00 C ATOM 1117 C VAL A 73 0.134 6.786 1.265 1.00 0.00 C ATOM 1118 O VAL A 73 -0.102 5.853 0.497 1.00 0.00 O ATOM 1119 CB VAL A 73 2.520 6.954 1.974 1.00 0.00 C ATOM 1120 CG1 VAL A 73 2.893 5.593 1.407 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.740 7.860 2.050 1.00 0.00 C ATOM 0 H VAL A 73 1.230 9.160 2.526 1.00 0.00 H new ATOM 0 HA VAL A 73 1.721 7.622 0.084 1.00 0.00 H new ATOM 0 HB VAL A 73 2.141 6.809 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.678 5.147 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.017 4.944 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.252 5.711 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.512 7.380 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.122 8.041 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.461 8.809 2.508 1.00 0.00 H new ATOM 1131 N SER A 74 -0.689 7.138 2.248 1.00 0.00 N ATOM 1132 CA SER A 74 -1.943 6.433 2.486 1.00 0.00 C ATOM 1133 C SER A 74 -2.912 6.637 1.326 1.00 0.00 C ATOM 1134 O SER A 74 -3.732 5.768 1.029 1.00 0.00 O ATOM 1135 CB SER A 74 -2.583 6.912 3.791 1.00 0.00 C ATOM 1136 OG SER A 74 -3.882 6.373 3.950 1.00 0.00 O ATOM 0 H SER A 74 -0.510 7.908 2.893 1.00 0.00 H new ATOM 0 HA SER A 74 -1.722 5.369 2.567 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.959 6.619 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.635 8.001 3.796 1.00 0.00 H new ATOM 0 HG SER A 74 -3.969 5.563 3.405 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.814 7.792 0.675 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.684 8.109 -0.453 1.00 0.00 C ATOM 1144 C GLU A 75 -3.205 7.415 -1.725 1.00 0.00 C ATOM 1145 O GLU A 75 -4.003 7.101 -2.608 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.736 9.622 -0.672 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.872 10.066 -1.581 1.00 0.00 C ATOM 1148 CD GLU A 75 -5.248 11.521 -1.375 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -4.507 12.400 -1.864 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -6.283 11.780 -0.726 1.00 0.00 O ATOM 0 H GLU A 75 -2.142 8.523 0.908 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.685 7.747 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.839 10.117 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.789 9.952 -1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.582 9.913 -2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.745 9.439 -1.398 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.900 7.182 -1.812 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.317 6.527 -2.979 1.00 0.00 C ATOM 1159 C PHE A 76 -1.506 5.015 -2.907 1.00 0.00 C ATOM 1160 O PHE A 76 -1.896 4.382 -3.888 1.00 0.00 O ATOM 1161 CB PHE A 76 0.172 6.860 -3.085 1.00 0.00 C ATOM 1162 CG PHE A 76 0.796 6.418 -4.378 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.621 7.158 -5.535 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.558 5.262 -4.434 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.193 6.753 -6.727 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.132 4.852 -5.622 1.00 0.00 C ATOM 1167 CZ PHE A 76 1.951 5.598 -6.770 1.00 0.00 C ATOM 0 H PHE A 76 -1.226 7.436 -1.090 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.831 6.898 -3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.304 7.937 -2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.701 6.389 -2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.031 8.062 -5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.705 4.675 -3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.048 7.338 -7.623 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.722 3.948 -5.653 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.401 5.280 -7.699 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.227 4.442 -1.741 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.364 3.004 -1.542 1.00 0.00 C ATOM 1179 C PHE A 77 -2.796 2.549 -1.808 1.00 0.00 C ATOM 1180 O PHE A 77 -3.028 1.614 -2.574 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.952 2.625 -0.118 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.654 1.162 0.052 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.347 0.556 -0.688 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.375 0.395 0.953 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.624 -0.790 -0.534 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.102 -0.950 1.112 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.101 -1.543 0.368 1.00 0.00 C ATOM 0 H PHE A 77 -0.904 4.952 -0.919 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.706 2.501 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.071 3.202 0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.749 2.907 0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.918 1.141 -1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.159 0.854 1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.406 -1.252 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.671 -1.537 1.818 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.114 -2.594 0.492 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.751 3.214 -1.169 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.160 2.878 -1.335 1.00 0.00 C ATOM 1199 C LEU A 78 -5.589 3.023 -2.792 1.00 0.00 C ATOM 1200 O LEU A 78 -6.475 2.310 -3.262 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.028 3.770 -0.445 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.029 3.397 1.039 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.321 4.619 1.897 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.046 2.298 1.311 1.00 0.00 C ATOM 0 H LEU A 78 -3.575 3.990 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.295 1.838 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.686 4.800 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.053 3.737 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.039 3.023 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.318 4.334 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.557 5.376 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.298 5.023 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.033 2.045 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.041 2.646 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.793 1.415 0.724 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.956 3.953 -3.501 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.275 4.191 -4.904 1.00 0.00 C ATOM 1218 C TYR A 79 -4.896 2.989 -5.762 1.00 0.00 C ATOM 1219 O TYR A 79 -5.605 2.637 -6.704 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.550 5.440 -5.408 1.00 0.00 C ATOM 1221 CG TYR A 79 -5.323 6.208 -6.458 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.586 5.649 -7.702 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.791 7.491 -6.203 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -6.292 6.346 -8.664 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.499 8.195 -7.159 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.746 7.618 -8.387 1.00 0.00 C ATOM 1227 OH TYR A 79 -7.449 8.316 -9.341 1.00 0.00 O ATOM 0 H TYR A 79 -4.221 4.553 -3.127 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.351 4.345 -4.984 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.349 6.099 -4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.585 5.147 -5.821 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.233 4.652 -7.921 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.599 7.946 -5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.487 5.897 -9.627 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.857 9.191 -6.945 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.697 9.195 -8.986 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.772 2.361 -5.430 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.298 1.198 -6.169 1.00 0.00 C ATOM 1239 C LEU A 80 -4.327 0.072 -6.134 1.00 0.00 C ATOM 1240 O LEU A 80 -4.438 -0.711 -7.077 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.969 0.708 -5.593 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.806 1.693 -5.718 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.305 1.334 -4.744 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.279 1.717 -7.145 1.00 0.00 C ATOM 0 H LEU A 80 -3.173 2.639 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.149 1.496 -7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.113 0.471 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.694 -0.220 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.171 2.690 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.124 2.046 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.079 1.369 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.668 0.329 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.548 2.423 -7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.069 0.722 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.076 2.023 -7.822 1.00 0.00 H new ATOM 1256 N LEU A 81 -5.076 -0.003 -5.040 1.00 0.00 N ATOM 1257 CA LEU A 81 -6.095 -1.034 -4.880 1.00 0.00 C ATOM 1258 C LEU A 81 -7.259 -0.804 -5.839 1.00 0.00 C ATOM 1259 O LEU A 81 -7.915 -1.752 -6.272 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.605 -1.058 -3.437 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.628 -1.642 -2.416 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -6.061 -1.287 -1.001 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.526 -3.151 -2.580 1.00 0.00 C ATOM 0 H LEU A 81 -4.997 0.638 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.641 -1.997 -5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.853 -0.040 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.529 -1.634 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.644 -1.209 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.354 -1.711 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.084 -0.203 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.055 -1.693 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.827 -3.550 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.507 -3.601 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.171 -3.385 -3.584 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.510 0.459 -6.167 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.597 0.811 -7.074 1.00 0.00 C ATOM 1277 C GLN A 82 -8.225 0.495 -8.520 1.00 0.00 C ATOM 1278 O GLN A 82 -9.025 -0.065 -9.269 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.945 2.295 -6.935 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.440 2.565 -6.865 1.00 0.00 C ATOM 1281 CD GLN A 82 -11.016 3.005 -8.195 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -10.364 3.713 -8.964 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -12.246 2.589 -8.474 1.00 0.00 N ATOM 0 H GLN A 82 -6.976 1.255 -5.819 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.469 0.214 -6.805 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.471 2.688 -6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.525 2.839 -7.781 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.953 1.663 -6.532 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.632 3.335 -6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.750 2.004 -7.808 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.687 2.855 -9.355 1.00 0.00 H new ATOM 1292 N GLN A 83 -7.006 0.859 -8.906 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.530 0.616 -10.263 1.00 0.00 C ATOM 1294 C GLN A 83 -6.157 -0.850 -10.455 1.00 0.00 C ATOM 1295 O GLN A 83 -6.600 -1.494 -11.407 1.00 0.00 O ATOM 1296 CB GLN A 83 -5.322 1.506 -10.568 1.00 0.00 C ATOM 1297 CG GLN A 83 -5.613 2.991 -10.434 1.00 0.00 C ATOM 1298 CD GLN A 83 -4.360 3.811 -10.188 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -3.608 3.446 -9.157 1.00 0.00 O flip ATOM 1300 NE2 GLN A 83 -4.074 4.761 -10.917 1.00 0.00 N flip ATOM 0 H GLN A 83 -6.331 1.323 -8.299 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.337 0.860 -10.954 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.507 1.242 -9.894 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.977 1.302 -11.582 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.102 3.345 -11.341 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.313 3.148 -9.613 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.682 5.005 -11.699 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.229 5.304 -10.739 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.337 -1.371 -9.549 1.00 0.00 N ATOM 1310 CA LEU A 84 -4.902 -2.762 -9.619 1.00 0.00 C ATOM 1311 C LEU A 84 -6.059 -3.722 -9.347 1.00 0.00 C ATOM 1312 O LEU A 84 -5.949 -4.923 -9.596 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.772 -3.014 -8.619 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.545 -2.116 -8.790 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.457 -2.505 -7.800 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -2.022 -2.195 -10.217 1.00 0.00 C ATOM 0 H LEU A 84 -4.960 -0.851 -8.757 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.538 -2.946 -10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.163 -2.881 -7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.457 -4.054 -8.704 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.841 -1.086 -8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.592 -1.856 -7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.835 -2.398 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.164 -3.541 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.149 -1.550 -10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.743 -3.223 -10.446 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.799 -1.868 -10.908 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.168 -3.192 -8.836 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.339 -4.009 -8.533 1.00 0.00 C ATOM 1330 C ALA A 85 -8.766 -4.835 -9.743 1.00 0.00 C ATOM 1331 O ALA A 85 -9.332 -5.919 -9.597 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.487 -3.129 -8.060 1.00 0.00 C ATOM 0 H ALA A 85 -7.280 -2.201 -8.623 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.070 -4.700 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.354 -3.751 -7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.186 -2.590 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.744 -2.415 -8.842 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.493 -4.317 -10.936 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.849 -5.009 -12.169 1.00 0.00 C ATOM 1340 C ASP A 86 -8.196 -6.386 -12.231 1.00 0.00 C ATOM 1341 O ASP A 86 -8.743 -7.318 -12.822 1.00 0.00 O ATOM 1342 CB ASP A 86 -8.431 -4.176 -13.384 1.00 0.00 C ATOM 1343 CG ASP A 86 -9.609 -3.486 -14.045 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -10.566 -3.130 -13.327 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -9.572 -3.302 -15.280 1.00 0.00 O ATOM 0 H ASP A 86 -8.027 -3.421 -11.075 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.931 -5.142 -12.182 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.702 -3.427 -13.074 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.937 -4.821 -14.111 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.023 -6.508 -11.617 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.296 -7.772 -11.601 1.00 0.00 C ATOM 1352 C ALA A 87 -6.724 -8.636 -10.419 1.00 0.00 C ATOM 1353 O ALA A 87 -6.787 -9.861 -10.523 1.00 0.00 O ATOM 1354 CB ALA A 87 -4.797 -7.517 -11.556 1.00 0.00 C ATOM 0 H ALA A 87 -6.556 -5.747 -11.124 1.00 0.00 H new ATOM 0 HA ALA A 87 -6.534 -8.312 -12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.266 -8.469 -11.544 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.499 -6.946 -12.435 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.551 -6.953 -10.656 1.00 0.00 H new ATOM 1360 N TYR A 88 -7.017 -7.989 -9.296 1.00 0.00 N ATOM 1361 CA TYR A 88 -7.439 -8.698 -8.094 1.00 0.00 C ATOM 1362 C TYR A 88 -8.880 -9.183 -8.226 1.00 0.00 C ATOM 1363 O TYR A 88 -9.687 -8.577 -8.930 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.305 -7.793 -6.869 1.00 0.00 C ATOM 1365 CG TYR A 88 -5.871 -7.542 -6.455 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -5.192 -8.449 -5.651 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.198 -6.399 -6.869 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -3.882 -8.223 -5.270 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -3.889 -6.166 -6.492 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.236 -7.081 -5.694 1.00 0.00 C ATOM 1371 OH TYR A 88 -1.932 -6.853 -5.317 1.00 0.00 O ATOM 0 H TYR A 88 -6.970 -6.975 -9.193 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.792 -9.566 -7.969 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.786 -6.838 -7.079 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.842 -8.244 -6.034 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.695 -9.345 -5.318 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.706 -5.681 -7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.368 -8.937 -4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.380 -5.272 -6.821 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.731 -7.367 -4.507 1.00 0.00 H new ATOM 1381 N VAL A 89 -9.195 -10.279 -7.543 1.00 0.00 N ATOM 1382 CA VAL A 89 -10.538 -10.845 -7.585 1.00 0.00 C ATOM 1383 C VAL A 89 -11.319 -10.502 -6.321 1.00 0.00 C ATOM 1384 O VAL A 89 -12.533 -10.299 -6.366 1.00 0.00 O ATOM 1385 CB VAL A 89 -10.498 -12.376 -7.748 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -9.938 -12.754 -9.111 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -9.682 -13.012 -6.634 1.00 0.00 C ATOM 0 H VAL A 89 -8.539 -10.792 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.038 -10.407 -8.449 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.518 -12.756 -7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.917 -13.840 -9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.569 -12.332 -9.893 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.926 -12.362 -9.210 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.666 -14.094 -6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.663 -12.627 -6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.132 -12.772 -5.671 1.00 0.00 H new ATOM 1397 N ASP A 90 -10.615 -10.437 -5.196 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.243 -10.118 -3.918 1.00 0.00 C ATOM 1399 C ASP A 90 -11.587 -8.634 -3.836 1.00 0.00 C ATOM 1400 O ASP A 90 -12.550 -8.245 -3.175 1.00 0.00 O ATOM 1401 CB ASP A 90 -10.321 -10.505 -2.762 1.00 0.00 C ATOM 1402 CG ASP A 90 -10.384 -11.986 -2.441 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -9.992 -12.797 -3.305 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -10.827 -12.332 -1.325 1.00 0.00 O ATOM 0 H ASP A 90 -9.610 -10.601 -5.143 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.167 -10.691 -3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.295 -10.234 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.594 -9.932 -1.876 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.793 -7.809 -4.510 1.00 0.00 N ATOM 1410 CA LEU A 91 -11.013 -6.367 -4.511 1.00 0.00 C ATOM 1411 C LEU A 91 -11.802 -5.937 -5.745 1.00 0.00 C ATOM 1412 O LEU A 91 -11.397 -6.202 -6.877 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.676 -5.625 -4.464 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.741 -6.049 -3.329 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.292 -6.019 -3.792 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -8.936 -5.150 -2.118 1.00 0.00 C ATOM 0 H LEU A 91 -9.992 -8.114 -5.062 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.593 -6.114 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.161 -5.774 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.873 -4.557 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.986 -7.071 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.642 -6.323 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.164 -6.704 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.031 -5.008 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.264 -5.464 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.716 -4.118 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.968 -5.222 -1.774 1.00 0.00 H new ATOM 1428 N ARG A 92 -12.929 -5.271 -5.516 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.775 -4.801 -6.609 1.00 0.00 C ATOM 1430 C ARG A 92 -14.980 -4.030 -6.072 1.00 0.00 C ATOM 1431 O ARG A 92 -15.149 -2.846 -6.365 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.243 -5.981 -7.466 1.00 0.00 C ATOM 1433 CG ARG A 92 -13.691 -5.961 -8.882 1.00 0.00 C ATOM 1434 CD ARG A 92 -13.668 -7.354 -9.491 1.00 0.00 C ATOM 1435 NE ARG A 92 -13.417 -7.319 -10.930 1.00 0.00 N ATOM 1436 CZ ARG A 92 -14.346 -7.034 -11.839 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -15.589 -6.758 -11.463 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -14.031 -7.025 -13.127 1.00 0.00 N ATOM 0 H ARG A 92 -13.278 -5.044 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.185 -4.127 -7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.946 -6.911 -6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.332 -5.978 -7.509 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.299 -5.302 -9.501 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.682 -5.549 -8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.897 -7.950 -9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.621 -7.848 -9.301 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.473 -7.525 -11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.836 -6.764 -10.473 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.297 -6.540 -12.164 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.077 -7.236 -13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.742 -6.807 -13.825 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.837 -4.693 -5.276 1.00 0.00 N ATOM 1453 CA PRO A 93 -17.028 -4.062 -4.701 1.00 0.00 C ATOM 1454 C PRO A 93 -16.691 -3.152 -3.524 1.00 0.00 C ATOM 1455 O PRO A 93 -17.371 -2.154 -3.285 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.858 -5.255 -4.233 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.853 -6.305 -3.907 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.715 -6.109 -4.874 1.00 0.00 C ATOM 0 HA PRO A 93 -17.540 -3.419 -5.417 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.463 -5.001 -3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.544 -5.590 -5.011 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.510 -6.209 -2.877 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.283 -7.301 -4.008 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.752 -6.311 -4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.798 -6.777 -5.731 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.639 -3.503 -2.793 1.00 0.00 N ATOM 1467 CA TRP A 94 -15.212 -2.721 -1.639 1.00 0.00 C ATOM 1468 C TRP A 94 -14.881 -1.288 -2.043 1.00 0.00 C ATOM 1469 O TRP A 94 -15.410 -0.333 -1.473 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.995 -3.370 -0.978 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.572 -2.689 0.287 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -14.302 -2.564 1.434 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -12.321 -2.038 0.534 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -13.580 -1.875 2.379 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -12.361 -1.542 1.851 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -11.170 -1.827 -0.230 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -11.295 -0.849 2.418 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -10.112 -1.139 0.335 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -10.181 -0.658 1.648 1.00 0.00 C ATOM 0 H TRP A 94 -15.065 -4.325 -2.980 1.00 0.00 H new ATOM 0 HA TRP A 94 -16.035 -2.697 -0.925 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.222 -4.414 -0.762 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.162 -3.364 -1.681 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -15.300 -2.950 1.578 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.900 -1.648 3.321 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -11.108 -2.195 -1.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -11.346 -0.475 3.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -9.218 -0.970 -0.246 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -9.337 -0.125 2.061 1.00 0.00 H new ATOM 1490 N LEU A 95 -14.003 -1.144 -3.031 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.598 0.173 -3.512 1.00 0.00 C ATOM 1492 C LEU A 95 -14.809 0.989 -3.957 1.00 0.00 C ATOM 1493 O LEU A 95 -14.811 2.216 -3.860 1.00 0.00 O ATOM 1494 CB LEU A 95 -12.610 0.033 -4.671 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.412 -0.880 -4.393 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.160 -1.808 -5.572 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.172 -0.053 -4.089 1.00 0.00 C ATOM 0 H LEU A 95 -13.558 -1.924 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.113 0.698 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.145 -0.349 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.239 1.024 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.641 -1.491 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.305 -2.448 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.042 -2.426 -5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.953 -1.216 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.330 -0.718 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.941 0.584 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.355 0.568 -3.212 1.00 0.00 H new ATOM 1509 N LEU A 96 -15.834 0.300 -4.447 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.048 0.962 -4.907 1.00 0.00 C ATOM 1511 C LEU A 96 -17.954 1.322 -3.733 1.00 0.00 C ATOM 1512 O LEU A 96 -18.698 2.300 -3.787 1.00 0.00 O ATOM 1513 CB LEU A 96 -17.801 0.064 -5.891 1.00 0.00 C ATOM 1514 CG LEU A 96 -17.223 0.029 -7.308 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -17.565 -1.285 -7.990 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -17.739 1.206 -8.122 1.00 0.00 C ATOM 0 H LEU A 96 -15.848 -0.716 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.759 1.883 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.815 -0.952 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.837 0.399 -5.946 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.138 0.108 -7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.146 -1.292 -8.996 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.147 -2.112 -7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -18.648 -1.394 -8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.318 1.166 -9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.826 1.158 -8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.443 2.138 -7.642 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.884 0.524 -2.672 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.698 0.760 -1.484 1.00 0.00 C ATOM 1530 C GLU A 97 -18.201 1.981 -0.717 1.00 0.00 C ATOM 1531 O GLU A 97 -18.924 2.965 -0.560 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.680 -0.472 -0.576 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.921 -1.340 -0.705 1.00 0.00 C ATOM 1534 CD GLU A 97 -19.931 -2.494 0.278 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -20.401 -2.299 1.418 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -19.468 -3.593 -0.093 1.00 0.00 O ATOM 0 H GLU A 97 -17.273 -0.290 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.722 0.950 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.801 -1.072 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.579 -0.148 0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.807 -0.726 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.982 -1.732 -1.720 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.961 1.911 -0.243 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.367 3.012 0.508 1.00 0.00 C ATOM 1545 C ILE A 98 -16.339 4.291 -0.319 1.00 0.00 C ATOM 1546 O ILE A 98 -16.441 5.394 0.219 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.933 2.674 0.961 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -14.041 2.402 -0.251 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.941 1.477 1.899 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.608 2.079 0.112 1.00 0.00 C ATOM 0 H ILE A 98 -16.349 1.105 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.991 3.167 1.388 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.528 3.530 1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.459 1.572 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.054 3.275 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.921 1.251 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.545 1.707 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.363 0.614 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.034 1.898 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.172 2.918 0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.584 1.188 0.740 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.200 4.138 -1.633 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.161 5.290 -2.513 1.00 0.00 C ATOM 1564 C GLY A 99 -14.924 6.141 -2.300 1.00 0.00 C ATOM 1565 O GLY A 99 -14.988 7.193 -1.664 1.00 0.00 O ATOM 0 H GLY A 99 -16.114 3.237 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.192 4.953 -3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.050 5.899 -2.349 1.00 0.00 H new ATOM 1569 N PHE A 100 -13.794 5.683 -2.831 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.536 6.408 -2.694 1.00 0.00 C ATOM 1571 C PHE A 100 -12.649 7.810 -3.286 1.00 0.00 C ATOM 1572 O PHE A 100 -12.336 8.800 -2.626 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.404 5.641 -3.380 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.037 6.032 -2.898 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.614 5.690 -1.623 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.174 6.740 -3.719 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.356 6.047 -1.176 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -7.915 7.100 -3.277 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.505 6.753 -2.005 1.00 0.00 C ATOM 0 H PHE A 100 -13.724 4.814 -3.360 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.311 6.499 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.547 4.573 -3.215 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.463 5.808 -4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.275 5.138 -0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.489 7.014 -4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.038 5.775 -0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.252 7.653 -3.926 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.521 7.033 -1.659 1.00 0.00 H new