USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 521 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 68 MET CE :methyl 164:sc= -4.9! (180deg=-1.16) USER MOD Set 1.2: A 71 GLN : amide:sc= -14.1! C(o=-19!,f=-25!) USER MOD Set 2.1: A 61 SER OG : rot -17:sc= 1.11 USER MOD Set 2.2: A 82 TYR OH : rot 9:sc= 0.91 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.496 F(o=-1.8,f=-0.5) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00331 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -4.96! C(o=-5!,f=-7.2!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 178:sc= 0 (180deg=-0.009) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc=-0.00392 USER MOD Single : A 54 ASN : amide:sc= -0.772 K(o=-0.77,f=-7.5!) USER MOD Single : A 57 SER OG : rot 180:sc=0.000533 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc=-0.00814 K(o=-0.0081,f=-1.1) USER MOD Single : A 79 THR OG1 : rot 29:sc= 0.19 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.661 7.636 0.984 1.00 0.00 N ATOM 60 CA GLY A 7 -0.526 7.258 1.806 1.00 0.00 C ATOM 61 C GLY A 7 -0.943 6.547 3.079 1.00 0.00 C ATOM 62 O GLY A 7 -1.317 7.188 4.061 1.00 0.00 O ATOM 0 HA2 GLY A 7 0.135 6.609 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.046 8.150 2.062 1.00 0.00 H new ATOM 66 N ILE A 8 -0.881 5.220 3.061 1.00 0.00 N ATOM 67 CA ILE A 8 -1.256 4.422 4.221 1.00 0.00 C ATOM 68 C ILE A 8 -0.024 3.854 4.919 1.00 0.00 C ATOM 69 O ILE A 8 0.991 3.575 4.280 1.00 0.00 O ATOM 70 CB ILE A 8 -2.191 3.263 3.830 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.540 2.396 2.750 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.529 3.802 3.348 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.999 0.955 2.774 1.00 0.00 C ATOM 0 H ILE A 8 -0.574 4.675 2.255 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.784 5.088 4.904 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.366 2.644 4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.760 2.823 1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.458 2.426 2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.179 2.971 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.996 4.382 4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.372 4.440 2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.497 0.400 1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.754 0.511 3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.077 0.914 2.619 1.00 0.00 H new ATOM 85 N PHE A 9 -0.122 3.683 6.233 1.00 0.00 N ATOM 86 CA PHE A 9 0.984 3.146 7.018 1.00 0.00 C ATOM 87 C PHE A 9 0.680 1.726 7.487 1.00 0.00 C ATOM 88 O PHE A 9 -0.390 1.458 8.035 1.00 0.00 O ATOM 89 CB PHE A 9 1.264 4.045 8.224 1.00 0.00 C ATOM 90 CG PHE A 9 2.059 3.368 9.304 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.434 3.243 9.196 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.430 2.856 10.428 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.168 2.621 10.188 1.00 0.00 C ATOM 94 CE2 PHE A 9 2.159 2.233 11.424 1.00 0.00 C ATOM 95 CZ PHE A 9 3.530 2.115 11.303 1.00 0.00 C ATOM 0 H PHE A 9 -0.955 3.908 6.777 1.00 0.00 H new ATOM 0 HA PHE A 9 1.868 3.117 6.381 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.802 4.932 7.889 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.316 4.386 8.641 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.939 3.636 8.326 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.358 2.945 10.527 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.240 2.531 10.091 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.657 1.839 12.295 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.102 1.628 12.079 1.00 0.00 H new ATOM 105 N ILE A 10 1.627 0.821 7.266 1.00 0.00 N ATOM 106 CA ILE A 10 1.461 -0.571 7.666 1.00 0.00 C ATOM 107 C ILE A 10 2.560 -1.000 8.631 1.00 0.00 C ATOM 108 O ILE A 10 3.735 -0.697 8.426 1.00 0.00 O ATOM 109 CB ILE A 10 1.467 -1.511 6.447 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.550 -0.967 5.350 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.039 -2.913 6.856 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.974 -1.365 3.954 1.00 0.00 C ATOM 0 H ILE A 10 2.517 1.026 6.812 1.00 0.00 H new ATOM 0 HA ILE A 10 0.495 -0.643 8.165 1.00 0.00 H new ATOM 0 HB ILE A 10 2.482 -1.563 6.053 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.465 -1.322 5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.523 0.121 5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.048 -3.566 5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.729 -3.300 7.606 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.032 -2.879 7.273 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.278 -0.944 3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.977 -0.987 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.973 -2.452 3.869 1.00 0.00 H new ATOM 124 N GLY A 11 2.171 -1.711 9.685 1.00 0.00 N ATOM 125 CA GLY A 11 3.135 -2.173 10.666 1.00 0.00 C ATOM 126 C GLY A 11 2.967 -3.642 10.998 1.00 0.00 C ATOM 127 O GLY A 11 1.928 -4.235 10.712 1.00 0.00 O ATOM 0 H GLY A 11 1.205 -1.975 9.877 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.143 -2.002 10.288 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.032 -1.584 11.577 1.00 0.00 H new ATOM 131 N ASN A 12 3.994 -4.233 11.600 1.00 0.00 N ATOM 132 CA ASN A 12 3.956 -5.643 11.969 1.00 0.00 C ATOM 133 C ASN A 12 4.067 -6.531 10.733 1.00 0.00 C ATOM 134 O ASN A 12 3.461 -7.602 10.668 1.00 0.00 O ATOM 135 CB ASN A 12 2.664 -5.960 12.724 1.00 0.00 C ATOM 136 CG ASN A 12 2.815 -7.147 13.656 1.00 0.00 C ATOM 137 OD1 ASN A 12 2.701 -8.350 13.105 1.00 0.00 O flip ATOM 138 ND2 ASN A 12 3.031 -6.984 14.857 1.00 0.00 N flip ATOM 0 H ASN A 12 4.863 -3.757 11.843 1.00 0.00 H new ATOM 0 HA ASN A 12 4.807 -5.846 12.619 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.359 -5.086 13.300 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.868 -6.163 12.007 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.111 -6.041 15.237 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.130 -7.792 15.472 1.00 0.00 H new ATOM 145 N LEU A 13 4.845 -6.081 9.755 1.00 0.00 N ATOM 146 CA LEU A 13 5.036 -6.834 8.521 1.00 0.00 C ATOM 147 C LEU A 13 6.082 -7.928 8.707 1.00 0.00 C ATOM 148 O LEU A 13 7.075 -7.738 9.409 1.00 0.00 O ATOM 149 CB LEU A 13 5.458 -5.897 7.388 1.00 0.00 C ATOM 150 CG LEU A 13 4.327 -5.162 6.667 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.855 -3.913 5.980 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.650 -6.081 5.661 1.00 0.00 C ATOM 0 H LEU A 13 5.354 -5.198 9.793 1.00 0.00 H new ATOM 0 HA LEU A 13 4.087 -7.304 8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.145 -5.155 7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.014 -6.477 6.652 1.00 0.00 H new ATOM 0 HG LEU A 13 3.587 -4.859 7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.036 -3.403 5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.292 -3.246 6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.616 -4.193 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.848 -5.541 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.381 -6.415 4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.236 -6.946 6.179 1.00 0.00 H new ATOM 164 N ASP A 14 5.853 -9.073 8.073 1.00 0.00 N ATOM 165 CA ASP A 14 6.777 -10.197 8.166 1.00 0.00 C ATOM 166 C ASP A 14 8.079 -9.892 7.433 1.00 0.00 C ATOM 167 O ASP A 14 8.088 -9.302 6.352 1.00 0.00 O ATOM 168 CB ASP A 14 6.136 -11.461 7.590 1.00 0.00 C ATOM 169 CG ASP A 14 6.857 -12.723 8.020 1.00 0.00 C ATOM 170 OD1 ASP A 14 7.832 -13.110 7.343 1.00 0.00 O ATOM 171 OD2 ASP A 14 6.445 -13.325 9.034 1.00 0.00 O ATOM 0 H ASP A 14 5.035 -9.247 7.489 1.00 0.00 H new ATOM 0 HA ASP A 14 7.004 -10.362 9.219 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.095 -11.514 7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.134 -11.400 6.502 1.00 0.00 H new ATOM 176 N PRO A 15 9.207 -10.302 8.032 1.00 0.00 N ATOM 177 CA PRO A 15 10.536 -10.083 7.454 1.00 0.00 C ATOM 178 C PRO A 15 10.773 -10.931 6.210 1.00 0.00 C ATOM 179 O PRO A 15 11.731 -10.709 5.470 1.00 0.00 O ATOM 180 CB PRO A 15 11.486 -10.505 8.578 1.00 0.00 C ATOM 181 CG PRO A 15 10.700 -11.472 9.395 1.00 0.00 C ATOM 182 CD PRO A 15 9.271 -11.012 9.321 1.00 0.00 C ATOM 0 HA PRO A 15 10.673 -9.053 7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.390 -10.966 8.180 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.801 -9.648 9.173 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.804 -12.485 9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.052 -11.488 10.427 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.577 -11.852 9.352 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.016 -10.357 10.154 1.00 0.00 H new ATOM 190 N GLU A 16 9.895 -11.903 5.985 1.00 0.00 N ATOM 191 CA GLU A 16 10.011 -12.785 4.829 1.00 0.00 C ATOM 192 C GLU A 16 9.367 -12.154 3.597 1.00 0.00 C ATOM 193 O GLU A 16 9.510 -12.658 2.483 1.00 0.00 O ATOM 194 CB GLU A 16 9.358 -14.137 5.123 1.00 0.00 C ATOM 195 CG GLU A 16 10.003 -14.886 6.277 1.00 0.00 C ATOM 196 CD GLU A 16 11.518 -14.861 6.215 1.00 0.00 C ATOM 197 OE1 GLU A 16 12.101 -15.766 5.582 1.00 0.00 O ATOM 198 OE2 GLU A 16 12.120 -13.936 6.799 1.00 0.00 O ATOM 0 H GLU A 16 9.096 -12.100 6.587 1.00 0.00 H new ATOM 0 HA GLU A 16 11.071 -12.938 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.303 -13.980 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.405 -14.756 4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.674 -14.447 7.219 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.660 -15.921 6.271 1.00 0.00 H new ATOM 205 N ILE A 17 8.658 -11.050 3.807 1.00 0.00 N ATOM 206 CA ILE A 17 7.993 -10.351 2.715 1.00 0.00 C ATOM 207 C ILE A 17 8.972 -9.462 1.955 1.00 0.00 C ATOM 208 O ILE A 17 10.033 -9.108 2.469 1.00 0.00 O ATOM 209 CB ILE A 17 6.825 -9.488 3.227 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.822 -10.353 3.994 1.00 0.00 C ATOM 211 CG2 ILE A 17 6.142 -8.779 2.067 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.980 -9.572 4.979 1.00 0.00 C ATOM 0 H ILE A 17 8.529 -10.621 4.723 1.00 0.00 H new ATOM 0 HA ILE A 17 7.602 -11.115 2.043 1.00 0.00 H new ATOM 0 HB ILE A 17 7.221 -8.733 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.165 -10.851 3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.362 -11.134 4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.319 -8.173 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.861 -8.137 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.756 -9.518 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.292 -10.248 5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.628 -9.095 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.412 -8.809 4.447 1.00 0.00 H new ATOM 224 N ASP A 18 8.607 -9.103 0.729 1.00 0.00 N ATOM 225 CA ASP A 18 9.451 -8.252 -0.102 1.00 0.00 C ATOM 226 C ASP A 18 8.624 -7.170 -0.789 1.00 0.00 C ATOM 227 O ASP A 18 7.421 -7.333 -0.994 1.00 0.00 O ATOM 228 CB ASP A 18 10.186 -9.091 -1.148 1.00 0.00 C ATOM 229 CG ASP A 18 11.323 -9.896 -0.550 1.00 0.00 C ATOM 230 OD1 ASP A 18 11.042 -10.901 0.135 1.00 0.00 O ATOM 231 OD2 ASP A 18 12.494 -9.520 -0.768 1.00 0.00 O ATOM 0 H ASP A 18 7.732 -9.388 0.289 1.00 0.00 H new ATOM 0 HA ASP A 18 10.184 -7.768 0.544 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.479 -9.768 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.579 -8.435 -1.925 1.00 0.00 H new ATOM 236 N GLU A 19 9.276 -6.066 -1.140 1.00 0.00 N ATOM 237 CA GLU A 19 8.599 -4.958 -1.802 1.00 0.00 C ATOM 238 C GLU A 19 7.620 -5.469 -2.855 1.00 0.00 C ATOM 239 O GLU A 19 6.469 -5.035 -2.913 1.00 0.00 O ATOM 240 CB GLU A 19 9.621 -4.022 -2.452 1.00 0.00 C ATOM 241 CG GLU A 19 10.383 -3.167 -1.454 1.00 0.00 C ATOM 242 CD GLU A 19 11.528 -2.404 -2.093 1.00 0.00 C ATOM 243 OE1 GLU A 19 11.264 -1.599 -3.010 1.00 0.00 O ATOM 244 OE2 GLU A 19 12.686 -2.613 -1.677 1.00 0.00 O ATOM 0 H GLU A 19 10.272 -5.916 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 19 8.039 -4.406 -1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.332 -4.616 -3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.107 -3.370 -3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.696 -2.461 -0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.774 -3.803 -0.660 1.00 0.00 H new ATOM 251 N LYS A 20 8.085 -6.394 -3.688 1.00 0.00 N ATOM 252 CA LYS A 20 7.253 -6.966 -4.739 1.00 0.00 C ATOM 253 C LYS A 20 5.976 -7.564 -4.157 1.00 0.00 C ATOM 254 O LYS A 20 4.870 -7.148 -4.503 1.00 0.00 O ATOM 255 CB LYS A 20 8.029 -8.040 -5.504 1.00 0.00 C ATOM 256 CG LYS A 20 7.322 -8.524 -6.759 1.00 0.00 C ATOM 257 CD LYS A 20 8.306 -9.075 -7.776 1.00 0.00 C ATOM 258 CE LYS A 20 8.626 -10.538 -7.508 1.00 0.00 C ATOM 259 NZ LYS A 20 9.714 -11.039 -8.391 1.00 0.00 N ATOM 0 H LYS A 20 9.035 -6.764 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 20 6.978 -6.166 -5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.007 -7.644 -5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.203 -8.890 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.599 -9.296 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.762 -7.701 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.891 -8.970 -8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.225 -8.490 -7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.919 -10.660 -6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.730 -11.139 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.902 -12.039 -8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.424 -10.946 -9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.577 -10.482 -8.228 1.00 0.00 H new ATOM 273 N LEU A 21 6.136 -8.541 -3.271 1.00 0.00 N ATOM 274 CA LEU A 21 4.996 -9.195 -2.639 1.00 0.00 C ATOM 275 C LEU A 21 3.960 -8.170 -2.189 1.00 0.00 C ATOM 276 O LEU A 21 2.845 -8.128 -2.709 1.00 0.00 O ATOM 277 CB LEU A 21 5.459 -10.029 -1.443 1.00 0.00 C ATOM 278 CG LEU A 21 4.397 -10.913 -0.789 1.00 0.00 C ATOM 279 CD1 LEU A 21 3.861 -11.929 -1.786 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.967 -11.614 0.435 1.00 0.00 C ATOM 0 H LEU A 21 7.044 -8.898 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 21 4.533 -9.853 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.283 -10.665 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.856 -9.353 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 21 3.571 -10.279 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.106 -12.550 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.414 -11.407 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.678 -12.559 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.197 -12.239 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.811 -12.236 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.302 -10.870 1.158 1.00 0.00 H new ATOM 292 N LEU A 22 4.337 -7.343 -1.220 1.00 0.00 N ATOM 293 CA LEU A 22 3.442 -6.315 -0.700 1.00 0.00 C ATOM 294 C LEU A 22 2.622 -5.689 -1.824 1.00 0.00 C ATOM 295 O LEU A 22 1.393 -5.642 -1.757 1.00 0.00 O ATOM 296 CB LEU A 22 4.243 -5.233 0.025 1.00 0.00 C ATOM 297 CG LEU A 22 4.590 -5.521 1.486 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.612 -4.518 2.000 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.336 -5.496 2.347 1.00 0.00 C ATOM 0 H LEU A 22 5.256 -7.364 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 22 2.758 -6.786 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.171 -5.068 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.678 -4.302 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 22 5.028 -6.517 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.847 -4.739 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.520 -4.585 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.202 -3.511 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.602 -5.703 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.869 -4.513 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.637 -6.254 1.994 1.00 0.00 H new ATOM 311 N TYR A 23 3.309 -5.210 -2.855 1.00 0.00 N ATOM 312 CA TYR A 23 2.644 -4.587 -3.993 1.00 0.00 C ATOM 313 C TYR A 23 1.395 -5.369 -4.390 1.00 0.00 C ATOM 314 O TYR A 23 0.282 -4.845 -4.348 1.00 0.00 O ATOM 315 CB TYR A 23 3.601 -4.496 -5.183 1.00 0.00 C ATOM 316 CG TYR A 23 3.060 -3.679 -6.334 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.029 -4.164 -7.130 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.580 -2.425 -6.628 1.00 0.00 C ATOM 319 CE1 TYR A 23 1.531 -3.422 -8.184 1.00 0.00 C ATOM 320 CE2 TYR A 23 3.087 -1.676 -7.679 1.00 0.00 C ATOM 321 CZ TYR A 23 2.063 -2.178 -8.454 1.00 0.00 C ATOM 322 OH TYR A 23 1.571 -1.435 -9.503 1.00 0.00 O ATOM 0 H TYR A 23 4.326 -5.241 -2.926 1.00 0.00 H new ATOM 0 HA TYR A 23 2.343 -3.581 -3.699 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.542 -4.059 -4.849 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.825 -5.503 -5.536 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.610 -5.137 -6.921 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.383 -2.029 -6.025 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.730 -3.814 -8.793 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.502 -0.702 -7.893 1.00 0.00 H new ATOM 0 HH TYR A 23 2.054 -0.584 -9.556 1.00 0.00 H new ATOM 332 N ASP A 24 1.589 -6.625 -4.774 1.00 0.00 N ATOM 333 CA ASP A 24 0.480 -7.482 -5.177 1.00 0.00 C ATOM 334 C ASP A 24 -0.495 -7.688 -4.022 1.00 0.00 C ATOM 335 O ASP A 24 -1.711 -7.608 -4.200 1.00 0.00 O ATOM 336 CB ASP A 24 1.003 -8.833 -5.667 1.00 0.00 C ATOM 337 CG ASP A 24 -0.079 -9.670 -6.321 1.00 0.00 C ATOM 338 OD1 ASP A 24 -1.008 -9.082 -6.914 1.00 0.00 O ATOM 339 OD2 ASP A 24 0.003 -10.913 -6.240 1.00 0.00 O ATOM 0 H ASP A 24 2.504 -7.073 -4.815 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.050 -6.989 -5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.812 -8.670 -6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.425 -9.383 -4.826 1.00 0.00 H new ATOM 344 N THR A 25 0.047 -7.955 -2.838 1.00 0.00 N ATOM 345 CA THR A 25 -0.775 -8.174 -1.654 1.00 0.00 C ATOM 346 C THR A 25 -1.832 -7.086 -1.509 1.00 0.00 C ATOM 347 O THR A 25 -2.991 -7.369 -1.203 1.00 0.00 O ATOM 348 CB THR A 25 0.083 -8.215 -0.375 1.00 0.00 C ATOM 349 OG1 THR A 25 1.207 -9.081 -0.567 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.738 -8.697 0.812 1.00 0.00 C ATOM 0 H THR A 25 1.051 -8.025 -2.673 1.00 0.00 H new ATOM 0 HA THR A 25 -1.267 -9.138 -1.784 1.00 0.00 H new ATOM 0 HB THR A 25 0.435 -7.204 -0.167 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.748 -9.100 0.250 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.111 -8.718 1.704 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.576 -8.020 0.974 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.115 -9.700 0.610 1.00 0.00 H new ATOM 358 N PHE A 26 -1.426 -5.840 -1.729 1.00 0.00 N ATOM 359 CA PHE A 26 -2.340 -4.708 -1.623 1.00 0.00 C ATOM 360 C PHE A 26 -2.877 -4.312 -2.995 1.00 0.00 C ATOM 361 O PHE A 26 -3.761 -3.462 -3.105 1.00 0.00 O ATOM 362 CB PHE A 26 -1.634 -3.516 -0.974 1.00 0.00 C ATOM 363 CG PHE A 26 -1.538 -3.616 0.521 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.649 -4.498 1.114 1.00 0.00 C ATOM 365 CD2 PHE A 26 -2.338 -2.829 1.334 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.558 -4.593 2.490 1.00 0.00 C ATOM 367 CE2 PHE A 26 -2.251 -2.919 2.711 1.00 0.00 C ATOM 368 CZ PHE A 26 -1.361 -3.803 3.289 1.00 0.00 C ATOM 0 H PHE A 26 -0.470 -5.588 -1.982 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.181 -5.008 -0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.630 -3.429 -1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.167 -2.602 -1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.020 -5.119 0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.037 -2.138 0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.140 -5.284 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.878 -2.299 3.334 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.293 -3.876 4.364 1.00 0.00 H new ATOM 378 N SER A 27 -2.336 -4.933 -4.038 1.00 0.00 N ATOM 379 CA SER A 27 -2.757 -4.642 -5.403 1.00 0.00 C ATOM 380 C SER A 27 -4.208 -5.057 -5.624 1.00 0.00 C ATOM 381 O SER A 27 -4.998 -4.309 -6.201 1.00 0.00 O ATOM 382 CB SER A 27 -1.851 -5.363 -6.403 1.00 0.00 C ATOM 383 OG SER A 27 -2.211 -5.048 -7.737 1.00 0.00 O ATOM 0 H SER A 27 -1.605 -5.641 -3.964 1.00 0.00 H new ATOM 0 HA SER A 27 -2.677 -3.566 -5.560 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.813 -5.081 -6.227 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.919 -6.440 -6.249 1.00 0.00 H new ATOM 0 HG SER A 27 -1.616 -5.520 -8.357 1.00 0.00 H new ATOM 389 N ALA A 28 -4.552 -6.254 -5.160 1.00 0.00 N ATOM 390 CA ALA A 28 -5.909 -6.768 -5.305 1.00 0.00 C ATOM 391 C ALA A 28 -6.941 -5.687 -5.003 1.00 0.00 C ATOM 392 O ALA A 28 -7.812 -5.400 -5.824 1.00 0.00 O ATOM 393 CB ALA A 28 -6.118 -7.968 -4.393 1.00 0.00 C ATOM 0 H ALA A 28 -3.910 -6.886 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.043 -7.083 -6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.135 -8.342 -4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.410 -8.753 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.959 -7.669 -3.357 1.00 0.00 H new ATOM 399 N PHE A 29 -6.837 -5.089 -3.821 1.00 0.00 N ATOM 400 CA PHE A 29 -7.763 -4.040 -3.411 1.00 0.00 C ATOM 401 C PHE A 29 -7.805 -2.918 -4.444 1.00 0.00 C ATOM 402 O PHE A 29 -8.812 -2.722 -5.123 1.00 0.00 O ATOM 403 CB PHE A 29 -7.358 -3.478 -2.046 1.00 0.00 C ATOM 404 CG PHE A 29 -7.326 -4.512 -0.958 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.501 -4.965 -0.379 1.00 0.00 C ATOM 406 CD2 PHE A 29 -6.121 -5.031 -0.513 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.473 -5.916 0.623 1.00 0.00 C ATOM 408 CE2 PHE A 29 -6.087 -5.982 0.489 1.00 0.00 C ATOM 409 CZ PHE A 29 -7.265 -6.426 1.057 1.00 0.00 C ATOM 0 H PHE A 29 -6.121 -5.313 -3.130 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.759 -4.477 -3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.373 -3.019 -2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.055 -2.689 -1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.449 -4.570 -0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.197 -4.688 -0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.395 -6.260 1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.141 -6.377 0.827 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.242 -7.171 1.839 1.00 0.00 H new ATOM 419 N GLY A 30 -6.703 -2.182 -4.555 1.00 0.00 N ATOM 420 CA GLY A 30 -6.635 -1.088 -5.506 1.00 0.00 C ATOM 421 C GLY A 30 -5.303 -1.029 -6.227 1.00 0.00 C ATOM 422 O GLY A 30 -4.487 -1.944 -6.115 1.00 0.00 O ATOM 0 H GLY A 30 -5.857 -2.324 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.436 -1.196 -6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.804 -0.146 -4.984 1.00 0.00 H new ATOM 426 N VAL A 31 -5.082 0.050 -6.972 1.00 0.00 N ATOM 427 CA VAL A 31 -3.840 0.225 -7.715 1.00 0.00 C ATOM 428 C VAL A 31 -2.833 1.046 -6.917 1.00 0.00 C ATOM 429 O VAL A 31 -3.168 2.097 -6.369 1.00 0.00 O ATOM 430 CB VAL A 31 -4.089 0.915 -9.069 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.783 1.083 -9.831 1.00 0.00 C ATOM 432 CG2 VAL A 31 -5.097 0.125 -9.891 1.00 0.00 C ATOM 0 H VAL A 31 -5.747 0.816 -7.077 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.434 -0.771 -7.892 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.503 1.906 -8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.979 1.572 -10.785 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.096 1.693 -9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.338 0.104 -10.010 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.262 0.626 -10.845 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.713 -0.879 -10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.040 0.061 -9.347 1.00 0.00 H new ATOM 442 N ILE A 32 -1.598 0.560 -6.855 1.00 0.00 N ATOM 443 CA ILE A 32 -0.542 1.249 -6.125 1.00 0.00 C ATOM 444 C ILE A 32 0.127 2.308 -6.995 1.00 0.00 C ATOM 445 O ILE A 32 0.373 2.088 -8.182 1.00 0.00 O ATOM 446 CB ILE A 32 0.530 0.264 -5.622 1.00 0.00 C ATOM 447 CG1 ILE A 32 -0.018 -0.570 -4.462 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.782 1.016 -5.195 1.00 0.00 C ATOM 449 CD1 ILE A 32 0.915 -1.676 -4.019 1.00 0.00 C ATOM 0 H ILE A 32 -1.304 -0.309 -7.302 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.014 1.730 -5.268 1.00 0.00 H new ATOM 0 HB ILE A 32 0.795 -0.410 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.217 0.087 -3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.972 -1.007 -4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.530 0.306 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.181 1.571 -6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.533 1.710 -4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.462 -2.226 -3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.095 -2.356 -4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.861 -1.245 -3.692 1.00 0.00 H new ATOM 461 N LEU A 33 0.420 3.458 -6.398 1.00 0.00 N ATOM 462 CA LEU A 33 1.062 4.552 -7.117 1.00 0.00 C ATOM 463 C LEU A 33 2.477 4.170 -7.539 1.00 0.00 C ATOM 464 O LEU A 33 2.880 4.407 -8.678 1.00 0.00 O ATOM 465 CB LEU A 33 1.100 5.809 -6.246 1.00 0.00 C ATOM 466 CG LEU A 33 -0.163 6.672 -6.258 1.00 0.00 C ATOM 467 CD1 LEU A 33 0.020 7.897 -5.375 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.514 7.084 -7.680 1.00 0.00 C ATOM 0 H LEU A 33 0.223 3.657 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 33 0.477 4.756 -8.014 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.301 5.508 -5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.940 6.425 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.988 6.082 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.888 8.499 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.223 7.581 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.857 8.490 -5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.415 7.697 -7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.310 7.657 -8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.688 6.194 -8.284 1.00 0.00 H new ATOM 480 N GLN A 34 3.225 3.576 -6.615 1.00 0.00 N ATOM 481 CA GLN A 34 4.595 3.160 -6.893 1.00 0.00 C ATOM 482 C GLN A 34 5.060 2.112 -5.886 1.00 0.00 C ATOM 483 O GLN A 34 4.493 1.984 -4.801 1.00 0.00 O ATOM 484 CB GLN A 34 5.534 4.367 -6.861 1.00 0.00 C ATOM 485 CG GLN A 34 5.722 4.955 -5.471 1.00 0.00 C ATOM 486 CD GLN A 34 6.813 4.256 -4.685 1.00 0.00 C ATOM 487 OE1 GLN A 34 7.717 3.650 -5.259 1.00 0.00 O ATOM 488 NE2 GLN A 34 6.733 4.337 -3.361 1.00 0.00 N ATOM 0 H GLN A 34 2.906 3.372 -5.668 1.00 0.00 H new ATOM 0 HA GLN A 34 4.619 2.717 -7.889 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.506 4.071 -7.256 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.142 5.139 -7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.964 6.014 -5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.783 4.887 -4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.966 4.850 -2.927 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.439 3.886 -2.779 1.00 0.00 H new ATOM 497 N THR A 35 6.095 1.364 -6.254 1.00 0.00 N ATOM 498 CA THR A 35 6.636 0.326 -5.385 1.00 0.00 C ATOM 499 C THR A 35 6.620 0.768 -3.926 1.00 0.00 C ATOM 500 O THR A 35 6.986 1.894 -3.589 1.00 0.00 O ATOM 501 CB THR A 35 8.077 -0.044 -5.782 1.00 0.00 C ATOM 502 OG1 THR A 35 8.094 -0.605 -7.100 1.00 0.00 O ATOM 503 CG2 THR A 35 8.671 -1.038 -4.795 1.00 0.00 C ATOM 0 H THR A 35 6.576 1.458 -7.149 1.00 0.00 H new ATOM 0 HA THR A 35 5.998 -0.550 -5.504 1.00 0.00 H new ATOM 0 HB THR A 35 8.679 0.864 -5.767 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.014 -0.836 -7.345 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.689 -1.285 -5.096 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.684 -0.597 -3.798 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.066 -1.945 -4.783 1.00 0.00 H new ATOM 511 N PRO A 36 6.186 -0.138 -3.037 1.00 0.00 N ATOM 512 CA PRO A 36 6.113 0.136 -1.599 1.00 0.00 C ATOM 513 C PRO A 36 7.493 0.247 -0.960 1.00 0.00 C ATOM 514 O PRO A 36 8.452 -0.378 -1.415 1.00 0.00 O ATOM 515 CB PRO A 36 5.363 -1.078 -1.045 1.00 0.00 C ATOM 516 CG PRO A 36 5.629 -2.168 -2.025 1.00 0.00 C ATOM 517 CD PRO A 36 5.734 -1.500 -3.368 1.00 0.00 C ATOM 0 HA PRO A 36 5.625 1.088 -1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.721 -1.344 -0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.295 -0.877 -0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.549 -2.698 -1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.826 -2.905 -2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.444 -2.012 -4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.776 -1.490 -3.888 1.00 0.00 H new ATOM 525 N LYS A 37 7.587 1.045 0.098 1.00 0.00 N ATOM 526 CA LYS A 37 8.850 1.237 0.802 1.00 0.00 C ATOM 527 C LYS A 37 8.838 0.516 2.146 1.00 0.00 C ATOM 528 O LYS A 37 7.862 0.591 2.893 1.00 0.00 O ATOM 529 CB LYS A 37 9.117 2.729 1.014 1.00 0.00 C ATOM 530 CG LYS A 37 9.641 3.435 -0.224 1.00 0.00 C ATOM 531 CD LYS A 37 10.228 4.795 0.115 1.00 0.00 C ATOM 532 CE LYS A 37 11.659 4.674 0.617 1.00 0.00 C ATOM 533 NZ LYS A 37 12.319 6.004 0.734 1.00 0.00 N ATOM 0 H LYS A 37 6.804 1.570 0.487 1.00 0.00 H new ATOM 0 HA LYS A 37 9.647 0.815 0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.194 3.213 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.838 2.849 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.402 2.818 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.832 3.556 -0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.204 5.434 -0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.614 5.278 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.663 4.180 1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.231 4.043 -0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.292 5.879 1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.338 6.465 -0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.788 6.597 1.403 1.00 0.00 H new ATOM 547 N ILE A 38 9.929 -0.181 2.448 1.00 0.00 N ATOM 548 CA ILE A 38 10.044 -0.913 3.703 1.00 0.00 C ATOM 549 C ILE A 38 11.276 -0.471 4.486 1.00 0.00 C ATOM 550 O ILE A 38 12.364 -0.341 3.928 1.00 0.00 O ATOM 551 CB ILE A 38 10.119 -2.432 3.464 1.00 0.00 C ATOM 552 CG1 ILE A 38 8.900 -2.907 2.672 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.217 -3.173 4.790 1.00 0.00 C ATOM 554 CD1 ILE A 38 8.999 -4.345 2.214 1.00 0.00 C ATOM 0 H ILE A 38 10.745 -0.254 1.841 1.00 0.00 H new ATOM 0 HA ILE A 38 9.148 -0.689 4.282 1.00 0.00 H new ATOM 0 HB ILE A 38 11.014 -2.649 2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.009 -2.791 3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.770 -2.265 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.269 -4.246 4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.114 -2.852 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.338 -2.952 5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.100 -4.613 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.871 -4.463 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.098 -4.997 3.082 1.00 0.00 H new ATOM 566 N MET A 39 11.096 -0.244 5.783 1.00 0.00 N ATOM 567 CA MET A 39 12.194 0.180 6.644 1.00 0.00 C ATOM 568 C MET A 39 13.000 -1.021 7.128 1.00 0.00 C ATOM 569 O MET A 39 12.436 -2.022 7.569 1.00 0.00 O ATOM 570 CB MET A 39 11.657 0.965 7.842 1.00 0.00 C ATOM 571 CG MET A 39 10.689 2.073 7.459 1.00 0.00 C ATOM 572 SD MET A 39 11.340 3.146 6.163 1.00 0.00 S ATOM 573 CE MET A 39 9.847 3.983 5.636 1.00 0.00 C ATOM 0 H MET A 39 10.201 -0.347 6.261 1.00 0.00 H new ATOM 0 HA MET A 39 12.851 0.825 6.061 1.00 0.00 H new ATOM 0 HB2 MET A 39 11.157 0.276 8.523 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.495 1.399 8.387 1.00 0.00 H new ATOM 0 HG2 MET A 39 9.751 1.631 7.122 1.00 0.00 H new ATOM 0 HG3 MET A 39 10.461 2.672 8.341 1.00 0.00 H new ATOM 0 HE1 MET A 39 10.091 4.709 4.860 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.141 3.253 5.241 1.00 0.00 H new ATOM 0 HE3 MET A 39 9.399 4.498 6.486 1.00 0.00 H new ATOM 691 N LYS A 48 12.872 -3.533 9.897 1.00 0.00 N ATOM 692 CA LYS A 48 12.424 -2.787 11.066 1.00 0.00 C ATOM 693 C LYS A 48 11.145 -3.388 11.639 1.00 0.00 C ATOM 694 O LYS A 48 11.105 -3.802 12.797 1.00 0.00 O ATOM 695 CB LYS A 48 12.193 -1.319 10.702 1.00 0.00 C ATOM 696 CG LYS A 48 13.424 -0.447 10.878 1.00 0.00 C ATOM 697 CD LYS A 48 13.605 -0.022 12.326 1.00 0.00 C ATOM 698 CE LYS A 48 14.867 0.805 12.511 1.00 0.00 C ATOM 699 NZ LYS A 48 15.262 0.903 13.943 1.00 0.00 N ATOM 0 HA LYS A 48 13.204 -2.848 11.825 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.861 -1.258 9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.386 -0.923 11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.307 -0.992 10.545 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.338 0.437 10.247 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.739 0.557 12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.651 -0.906 12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.681 0.358 11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.707 1.806 12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.127 1.475 14.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.496 1.353 14.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.439 -0.050 14.320 1.00 0.00 H new ATOM 713 N GLY A 49 10.099 -3.434 10.818 1.00 0.00 N ATOM 714 CA GLY A 49 8.833 -3.987 11.261 1.00 0.00 C ATOM 715 C GLY A 49 7.644 -3.210 10.731 1.00 0.00 C ATOM 716 O GLY A 49 6.495 -3.586 10.964 1.00 0.00 O ATOM 0 H GLY A 49 10.107 -3.098 9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.759 -5.025 10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.804 -3.992 12.351 1.00 0.00 H new ATOM 720 N TYR A 50 7.919 -2.124 10.018 1.00 0.00 N ATOM 721 CA TYR A 50 6.863 -1.289 9.458 1.00 0.00 C ATOM 722 C TYR A 50 7.250 -0.779 8.073 1.00 0.00 C ATOM 723 O TYR A 50 8.427 -0.567 7.783 1.00 0.00 O ATOM 724 CB TYR A 50 6.570 -0.109 10.385 1.00 0.00 C ATOM 725 CG TYR A 50 7.813 0.604 10.869 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.505 0.154 11.987 1.00 0.00 C ATOM 727 CD2 TYR A 50 8.296 1.726 10.208 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.640 0.803 12.433 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.431 2.380 10.646 1.00 0.00 C ATOM 730 CZ TYR A 50 10.099 1.915 11.759 1.00 0.00 C ATOM 731 OH TYR A 50 11.231 2.563 12.199 1.00 0.00 O ATOM 0 H TYR A 50 8.865 -1.801 9.814 1.00 0.00 H new ATOM 0 HA TYR A 50 5.964 -1.899 9.364 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.933 0.604 9.862 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.007 -0.466 11.247 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.149 -0.718 12.516 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.775 2.094 9.336 1.00 0.00 H new ATOM 0 HE1 TYR A 50 10.165 0.441 13.305 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.793 3.251 10.120 1.00 0.00 H new ATOM 0 HH TYR A 50 11.420 3.326 11.613 1.00 0.00 H new ATOM 741 N ALA A 51 6.248 -0.582 7.221 1.00 0.00 N ATOM 742 CA ALA A 51 6.481 -0.094 5.868 1.00 0.00 C ATOM 743 C ALA A 51 5.455 0.966 5.482 1.00 0.00 C ATOM 744 O ALA A 51 4.458 1.161 6.178 1.00 0.00 O ATOM 745 CB ALA A 51 6.448 -1.248 4.877 1.00 0.00 C ATOM 0 H ALA A 51 5.268 -0.753 7.445 1.00 0.00 H new ATOM 0 HA ALA A 51 7.469 0.366 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.624 -0.868 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.224 -1.970 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.473 -1.734 4.917 1.00 0.00 H new ATOM 751 N PHE A 52 5.706 1.650 4.371 1.00 0.00 N ATOM 752 CA PHE A 52 4.805 2.692 3.894 1.00 0.00 C ATOM 753 C PHE A 52 4.377 2.423 2.454 1.00 0.00 C ATOM 754 O PHE A 52 5.176 1.977 1.631 1.00 0.00 O ATOM 755 CB PHE A 52 5.478 4.062 3.991 1.00 0.00 C ATOM 756 CG PHE A 52 5.518 4.613 5.387 1.00 0.00 C ATOM 757 CD1 PHE A 52 6.437 4.138 6.308 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.635 5.607 5.779 1.00 0.00 C ATOM 759 CE1 PHE A 52 6.475 4.643 7.594 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.669 6.117 7.064 1.00 0.00 C ATOM 761 CZ PHE A 52 5.590 5.634 7.972 1.00 0.00 C ATOM 0 H PHE A 52 6.527 1.501 3.784 1.00 0.00 H new ATOM 0 HA PHE A 52 3.917 2.687 4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.496 3.985 3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.949 4.764 3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.132 3.364 6.018 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.912 5.988 5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.196 4.263 8.303 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.976 6.892 7.357 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.619 6.030 8.976 1.00 0.00 H new ATOM 771 N ILE A 53 3.111 2.699 2.158 1.00 0.00 N ATOM 772 CA ILE A 53 2.576 2.488 0.819 1.00 0.00 C ATOM 773 C ILE A 53 1.547 3.556 0.463 1.00 0.00 C ATOM 774 O ILE A 53 0.691 3.902 1.276 1.00 0.00 O ATOM 775 CB ILE A 53 1.926 1.099 0.684 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.889 0.012 1.166 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.510 0.846 -0.757 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.418 -1.392 0.859 1.00 0.00 C ATOM 0 H ILE A 53 2.437 3.069 2.828 1.00 0.00 H new ATOM 0 HA ILE A 53 3.418 2.554 0.130 1.00 0.00 H new ATOM 0 HB ILE A 53 1.033 1.070 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.863 0.169 0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.028 0.113 2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.052 -0.140 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.792 1.605 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.387 0.891 -1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.150 -2.110 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.458 -1.568 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.306 -1.511 -0.219 1.00 0.00 H new ATOM 790 N ASN A 54 1.636 4.072 -0.758 1.00 0.00 N ATOM 791 CA ASN A 54 0.712 5.100 -1.223 1.00 0.00 C ATOM 792 C ASN A 54 -0.203 4.555 -2.315 1.00 0.00 C ATOM 793 O ASN A 54 0.259 3.943 -3.279 1.00 0.00 O ATOM 794 CB ASN A 54 1.485 6.312 -1.746 1.00 0.00 C ATOM 795 CG ASN A 54 2.457 6.864 -0.722 1.00 0.00 C ATOM 796 OD1 ASN A 54 2.739 6.224 0.291 1.00 0.00 O ATOM 797 ND2 ASN A 54 2.975 8.059 -0.982 1.00 0.00 N ATOM 0 H ASN A 54 2.339 3.795 -1.444 1.00 0.00 H new ATOM 0 HA ASN A 54 0.096 5.408 -0.378 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.031 6.030 -2.646 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.780 7.093 -2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.635 8.482 -0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.713 8.554 -1.834 1.00 0.00 H new ATOM 804 N PHE A 55 -1.503 4.782 -2.159 1.00 0.00 N ATOM 805 CA PHE A 55 -2.483 4.314 -3.132 1.00 0.00 C ATOM 806 C PHE A 55 -2.796 5.401 -4.156 1.00 0.00 C ATOM 807 O PHE A 55 -2.399 6.555 -3.992 1.00 0.00 O ATOM 808 CB PHE A 55 -3.769 3.880 -2.424 1.00 0.00 C ATOM 809 CG PHE A 55 -3.777 2.430 -2.031 1.00 0.00 C ATOM 810 CD1 PHE A 55 -3.275 2.030 -0.803 1.00 0.00 C ATOM 811 CD2 PHE A 55 -4.286 1.469 -2.888 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.280 0.696 -0.439 1.00 0.00 C ATOM 813 CE2 PHE A 55 -4.294 0.134 -2.529 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.792 -0.252 -1.303 1.00 0.00 C ATOM 0 H PHE A 55 -1.902 5.287 -1.368 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.057 3.458 -3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.907 4.491 -1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.618 4.075 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.876 2.768 -0.123 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.681 1.766 -3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.884 0.396 0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.693 -0.606 -3.207 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.799 -1.294 -1.019 1.00 0.00 H new ATOM 824 N ALA A 56 -3.508 5.024 -5.212 1.00 0.00 N ATOM 825 CA ALA A 56 -3.875 5.966 -6.262 1.00 0.00 C ATOM 826 C ALA A 56 -4.920 6.960 -5.767 1.00 0.00 C ATOM 827 O ALA A 56 -4.763 8.171 -5.926 1.00 0.00 O ATOM 828 CB ALA A 56 -4.391 5.220 -7.484 1.00 0.00 C ATOM 0 H ALA A 56 -3.842 4.072 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.982 6.526 -6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.661 5.936 -8.260 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.614 4.555 -7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.268 4.634 -7.209 1.00 0.00 H new ATOM 834 N SER A 57 -5.987 6.442 -5.167 1.00 0.00 N ATOM 835 CA SER A 57 -7.060 7.284 -4.653 1.00 0.00 C ATOM 836 C SER A 57 -7.497 6.822 -3.266 1.00 0.00 C ATOM 837 O SER A 57 -6.943 5.871 -2.713 1.00 0.00 O ATOM 838 CB SER A 57 -8.254 7.266 -5.609 1.00 0.00 C ATOM 839 OG SER A 57 -8.981 8.481 -5.540 1.00 0.00 O ATOM 0 H SER A 57 -6.131 5.442 -5.025 1.00 0.00 H new ATOM 0 HA SER A 57 -6.682 8.303 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.905 7.105 -6.629 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.910 6.431 -5.361 1.00 0.00 H new ATOM 0 HG SER A 57 -9.738 8.445 -6.161 1.00 0.00 H new ATOM 845 N PHE A 58 -8.494 7.501 -2.710 1.00 0.00 N ATOM 846 CA PHE A 58 -9.006 7.161 -1.387 1.00 0.00 C ATOM 847 C PHE A 58 -9.851 5.891 -1.441 1.00 0.00 C ATOM 848 O PHE A 58 -9.679 4.984 -0.626 1.00 0.00 O ATOM 849 CB PHE A 58 -9.838 8.317 -0.827 1.00 0.00 C ATOM 850 CG PHE A 58 -9.020 9.524 -0.467 1.00 0.00 C ATOM 851 CD1 PHE A 58 -8.700 10.471 -1.427 1.00 0.00 C ATOM 852 CD2 PHE A 58 -8.573 9.713 0.830 1.00 0.00 C ATOM 853 CE1 PHE A 58 -7.947 11.583 -1.098 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.820 10.823 1.165 1.00 0.00 C ATOM 855 CZ PHE A 58 -7.508 11.760 0.199 1.00 0.00 C ATOM 0 H PHE A 58 -8.964 8.290 -3.154 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.155 6.983 -0.730 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.589 8.603 -1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.373 7.974 0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.042 10.339 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.816 8.984 1.589 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.702 12.313 -1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.476 10.957 2.180 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.922 12.629 0.458 1.00 0.00 H new ATOM 865 N ASP A 59 -10.763 5.835 -2.405 1.00 0.00 N ATOM 866 CA ASP A 59 -11.635 4.677 -2.566 1.00 0.00 C ATOM 867 C ASP A 59 -10.849 3.379 -2.405 1.00 0.00 C ATOM 868 O ASP A 59 -11.360 2.395 -1.872 1.00 0.00 O ATOM 869 CB ASP A 59 -12.314 4.710 -3.935 1.00 0.00 C ATOM 870 CG ASP A 59 -13.367 3.630 -4.085 1.00 0.00 C ATOM 871 OD1 ASP A 59 -13.186 2.540 -3.503 1.00 0.00 O ATOM 872 OD2 ASP A 59 -14.373 3.873 -4.786 1.00 0.00 O ATOM 0 H ASP A 59 -10.918 6.578 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.399 4.717 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.775 5.686 -4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.561 4.590 -4.714 1.00 0.00 H new ATOM 877 N ALA A 60 -9.605 3.385 -2.871 1.00 0.00 N ATOM 878 CA ALA A 60 -8.748 2.209 -2.778 1.00 0.00 C ATOM 879 C ALA A 60 -8.184 2.051 -1.370 1.00 0.00 C ATOM 880 O ALA A 60 -8.159 0.950 -0.821 1.00 0.00 O ATOM 881 CB ALA A 60 -7.620 2.297 -3.794 1.00 0.00 C ATOM 0 H ALA A 60 -9.168 4.191 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.353 1.330 -2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.988 1.413 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.039 2.353 -4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.023 3.188 -3.599 1.00 0.00 H new ATOM 887 N SER A 61 -7.731 3.158 -0.791 1.00 0.00 N ATOM 888 CA SER A 61 -7.162 3.141 0.551 1.00 0.00 C ATOM 889 C SER A 61 -8.177 2.621 1.565 1.00 0.00 C ATOM 890 O SER A 61 -7.821 1.920 2.512 1.00 0.00 O ATOM 891 CB SER A 61 -6.699 4.544 0.950 1.00 0.00 C ATOM 892 OG SER A 61 -7.778 5.463 0.927 1.00 0.00 O ATOM 0 H SER A 61 -7.747 4.078 -1.231 1.00 0.00 H new ATOM 0 HA SER A 61 -6.303 2.470 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.262 4.516 1.948 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.917 4.880 0.269 1.00 0.00 H new ATOM 0 HG SER A 61 -8.518 5.086 0.406 1.00 0.00 H new ATOM 898 N ASP A 62 -9.442 2.971 1.358 1.00 0.00 N ATOM 899 CA ASP A 62 -10.510 2.539 2.252 1.00 0.00 C ATOM 900 C ASP A 62 -10.625 1.018 2.267 1.00 0.00 C ATOM 901 O ASP A 62 -10.782 0.408 3.324 1.00 0.00 O ATOM 902 CB ASP A 62 -11.842 3.159 1.826 1.00 0.00 C ATOM 903 CG ASP A 62 -12.904 3.044 2.902 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.831 2.093 3.709 1.00 0.00 O ATOM 905 OD2 ASP A 62 -13.809 3.904 2.936 1.00 0.00 O ATOM 0 H ASP A 62 -9.753 3.552 0.579 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.266 2.877 3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.689 4.210 1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.194 2.669 0.918 1.00 0.00 H new ATOM 910 N ALA A 63 -10.547 0.412 1.087 1.00 0.00 N ATOM 911 CA ALA A 63 -10.641 -1.037 0.964 1.00 0.00 C ATOM 912 C ALA A 63 -9.697 -1.733 1.939 1.00 0.00 C ATOM 913 O ALA A 63 -10.091 -2.662 2.644 1.00 0.00 O ATOM 914 CB ALA A 63 -10.340 -1.467 -0.464 1.00 0.00 C ATOM 0 H ALA A 63 -10.419 0.903 0.202 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.660 -1.332 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.414 -2.552 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.058 -1.006 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.332 -1.152 -0.734 1.00 0.00 H new ATOM 920 N ALA A 64 -8.449 -1.278 1.973 1.00 0.00 N ATOM 921 CA ALA A 64 -7.449 -1.856 2.862 1.00 0.00 C ATOM 922 C ALA A 64 -7.796 -1.593 4.323 1.00 0.00 C ATOM 923 O ALA A 64 -8.042 -2.524 5.090 1.00 0.00 O ATOM 924 CB ALA A 64 -6.070 -1.302 2.537 1.00 0.00 C ATOM 0 H ALA A 64 -8.106 -0.511 1.395 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.441 -2.935 2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.333 -1.743 3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.813 -1.547 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.074 -0.219 2.663 1.00 0.00 H new ATOM 930 N ILE A 65 -7.813 -0.319 4.702 1.00 0.00 N ATOM 931 CA ILE A 65 -8.130 0.066 6.072 1.00 0.00 C ATOM 932 C ILE A 65 -9.381 -0.651 6.568 1.00 0.00 C ATOM 933 O ILE A 65 -9.611 -0.755 7.773 1.00 0.00 O ATOM 934 CB ILE A 65 -8.340 1.586 6.195 1.00 0.00 C ATOM 935 CG1 ILE A 65 -7.046 2.331 5.859 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.815 1.944 7.595 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.253 3.801 5.569 1.00 0.00 C ATOM 0 H ILE A 65 -7.611 0.464 4.080 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.279 -0.225 6.687 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.108 1.890 5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.350 2.228 6.692 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.580 1.860 4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.959 3.022 7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.758 1.438 7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.069 1.629 8.324 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.294 4.265 5.339 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.924 3.913 4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.691 4.286 6.442 1.00 0.00 H new ATOM 949 N GLU A 66 -10.185 -1.145 5.632 1.00 0.00 N ATOM 950 CA GLU A 66 -11.412 -1.853 5.975 1.00 0.00 C ATOM 951 C GLU A 66 -11.143 -3.342 6.175 1.00 0.00 C ATOM 952 O GLU A 66 -11.580 -3.935 7.161 1.00 0.00 O ATOM 953 CB GLU A 66 -12.464 -1.656 4.882 1.00 0.00 C ATOM 954 CG GLU A 66 -13.892 -1.812 5.376 1.00 0.00 C ATOM 955 CD GLU A 66 -14.917 -1.590 4.280 1.00 0.00 C ATOM 956 OE1 GLU A 66 -15.235 -2.559 3.560 1.00 0.00 O ATOM 957 OE2 GLU A 66 -15.400 -0.447 4.144 1.00 0.00 O ATOM 0 H GLU A 66 -10.008 -1.068 4.630 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.790 -1.440 6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.345 -0.663 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.284 -2.375 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.021 -2.811 5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.072 -1.104 6.185 1.00 0.00 H new ATOM 964 N ALA A 67 -10.422 -3.939 5.232 1.00 0.00 N ATOM 965 CA ALA A 67 -10.094 -5.357 5.305 1.00 0.00 C ATOM 966 C ALA A 67 -8.659 -5.565 5.777 1.00 0.00 C ATOM 967 O ALA A 67 -8.421 -6.191 6.810 1.00 0.00 O ATOM 968 CB ALA A 67 -10.306 -6.018 3.951 1.00 0.00 C ATOM 0 H ALA A 67 -10.054 -3.463 4.409 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.760 -5.821 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.057 -7.077 4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.349 -5.909 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.664 -5.542 3.209 1.00 0.00 H new ATOM 974 N MET A 68 -7.707 -5.036 5.015 1.00 0.00 N ATOM 975 CA MET A 68 -6.296 -5.164 5.358 1.00 0.00 C ATOM 976 C MET A 68 -6.048 -4.752 6.805 1.00 0.00 C ATOM 977 O MET A 68 -5.118 -5.237 7.448 1.00 0.00 O ATOM 978 CB MET A 68 -5.442 -4.310 4.418 1.00 0.00 C ATOM 979 CG MET A 68 -5.070 -5.016 3.124 1.00 0.00 C ATOM 980 SD MET A 68 -3.642 -6.100 3.310 1.00 0.00 S ATOM 981 CE MET A 68 -4.413 -7.708 3.145 1.00 0.00 C ATOM 0 H MET A 68 -7.887 -4.515 4.157 1.00 0.00 H new ATOM 0 HA MET A 68 -6.013 -6.211 5.244 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.983 -3.394 4.180 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.530 -4.015 4.937 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.922 -5.600 2.776 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.859 -4.272 2.356 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.648 -8.460 2.953 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.941 -7.954 4.066 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.120 -7.689 2.315 1.00 0.00 H new ATOM 991 N ASN A 69 -6.886 -3.853 7.312 1.00 0.00 N ATOM 992 CA ASN A 69 -6.757 -3.375 8.683 1.00 0.00 C ATOM 993 C ASN A 69 -6.862 -4.531 9.674 1.00 0.00 C ATOM 994 O ASN A 69 -7.954 -5.022 9.958 1.00 0.00 O ATOM 995 CB ASN A 69 -7.833 -2.330 8.985 1.00 0.00 C ATOM 996 CG ASN A 69 -7.891 -1.969 10.457 1.00 0.00 C ATOM 997 OD1 ASN A 69 -6.861 -1.768 11.099 1.00 0.00 O ATOM 998 ND2 ASN A 69 -9.101 -1.885 10.997 1.00 0.00 N ATOM 0 H ASN A 69 -7.662 -3.441 6.793 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.774 -2.916 8.790 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.637 -1.431 8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.804 -2.710 8.668 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.204 -1.645 11.983 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.928 -2.060 10.426 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.718 -4.960 10.199 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.704 -6.054 11.152 1.00 0.00 C ATOM 1007 C GLY A 70 -5.552 -7.405 10.483 1.00 0.00 C ATOM 1008 O GLY A 70 -5.333 -8.415 11.151 1.00 0.00 O ATOM 0 H GLY A 70 -4.801 -4.569 9.981 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.886 -5.907 11.857 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.628 -6.040 11.730 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.672 -7.425 9.159 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.549 -8.663 8.399 1.00 0.00 C ATOM 1014 C GLN A 71 -4.347 -9.474 8.871 1.00 0.00 C ATOM 1015 O GLN A 71 -3.330 -8.914 9.281 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.421 -8.360 6.906 1.00 0.00 C ATOM 1017 CG GLN A 71 -4.037 -7.882 6.498 1.00 0.00 C ATOM 1018 CD GLN A 71 -3.153 -9.010 6.003 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -3.204 -9.386 4.832 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -2.335 -9.557 6.895 1.00 0.00 N ATOM 0 H GLN A 71 -5.854 -6.598 8.591 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.450 -9.253 8.566 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.668 -9.258 6.339 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.153 -7.600 6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.133 -7.130 5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.559 -7.397 7.349 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.325 -9.214 7.856 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.717 -10.320 6.619 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.469 -10.795 8.809 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.393 -11.683 9.232 1.00 0.00 C ATOM 1031 C TYR A 72 -2.421 -11.945 8.086 1.00 0.00 C ATOM 1032 O TYR A 72 -2.797 -12.496 7.051 1.00 0.00 O ATOM 1033 CB TYR A 72 -3.967 -13.007 9.742 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.162 -13.623 10.863 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.233 -13.117 12.155 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.330 -14.712 10.631 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.499 -13.676 13.183 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.593 -15.279 11.653 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.681 -14.757 12.927 1.00 0.00 C ATOM 1040 OH TYR A 72 -0.948 -15.318 13.948 1.00 0.00 O ATOM 0 H TYR A 72 -5.303 -11.275 8.470 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.850 -11.195 10.041 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.988 -12.842 10.087 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.021 -13.713 8.914 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.873 -12.272 12.359 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.258 -15.122 9.634 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.565 -13.269 14.181 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.952 -16.126 11.456 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.425 -16.071 13.600 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.168 -11.547 8.280 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.139 -11.739 7.264 1.00 0.00 C ATOM 1052 C LEU A 73 0.817 -12.859 7.661 1.00 0.00 C ATOM 1053 O LEU A 73 0.710 -13.422 8.752 1.00 0.00 O ATOM 1054 CB LEU A 73 0.641 -10.440 7.048 1.00 0.00 C ATOM 1055 CG LEU A 73 1.384 -10.316 5.718 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.510 -10.799 4.571 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.826 -8.879 5.486 1.00 0.00 C ATOM 0 H LEU A 73 -0.841 -11.090 9.131 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.631 -12.020 6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.054 -9.604 7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.365 -10.336 7.856 1.00 0.00 H new ATOM 0 HG LEU A 73 2.273 -10.946 5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.056 -10.703 3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.244 -11.844 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.397 -10.197 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.353 -8.810 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.952 -8.228 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.490 -8.568 6.292 1.00 0.00 H new ATOM 1069 N CYS A 74 1.750 -13.177 6.771 1.00 0.00 N ATOM 1070 CA CYS A 74 2.726 -14.229 7.029 1.00 0.00 C ATOM 1071 C CYS A 74 3.046 -14.321 8.518 1.00 0.00 C ATOM 1072 O CYS A 74 3.940 -13.636 9.013 1.00 0.00 O ATOM 1073 CB CYS A 74 4.007 -13.972 6.235 1.00 0.00 C ATOM 1074 SG CYS A 74 5.201 -15.328 6.299 1.00 0.00 S ATOM 0 H CYS A 74 1.851 -12.721 5.864 1.00 0.00 H new ATOM 0 HA CYS A 74 2.294 -15.177 6.709 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.744 -13.782 5.194 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.481 -13.067 6.614 1.00 0.00 H new ATOM 0 HG CYS A 74 6.249 -15.017 5.596 1.00 0.00 H new ATOM 1080 N ASN A 75 2.309 -15.171 9.225 1.00 0.00 N ATOM 1081 CA ASN A 75 2.512 -15.350 10.658 1.00 0.00 C ATOM 1082 C ASN A 75 2.828 -14.019 11.333 1.00 0.00 C ATOM 1083 O ASN A 75 3.757 -13.924 12.135 1.00 0.00 O ATOM 1084 CB ASN A 75 3.646 -16.346 10.912 1.00 0.00 C ATOM 1085 CG ASN A 75 3.258 -17.768 10.556 1.00 0.00 C ATOM 1086 OD1 ASN A 75 2.086 -18.140 10.629 1.00 0.00 O ATOM 1087 ND2 ASN A 75 4.242 -18.570 10.169 1.00 0.00 N ATOM 0 H ASN A 75 1.566 -15.747 8.829 1.00 0.00 H new ATOM 0 HA ASN A 75 1.589 -15.743 11.085 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.520 -16.054 10.329 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.935 -16.303 11.962 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.042 -19.538 9.917 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.198 -18.218 10.123 1.00 0.00 H new ATOM 1094 N ARG A 76 2.048 -12.995 11.004 1.00 0.00 N ATOM 1095 CA ARG A 76 2.245 -11.669 11.578 1.00 0.00 C ATOM 1096 C ARG A 76 1.096 -10.738 11.201 1.00 0.00 C ATOM 1097 O ARG A 76 0.948 -10.328 10.050 1.00 0.00 O ATOM 1098 CB ARG A 76 3.573 -11.076 11.103 1.00 0.00 C ATOM 1099 CG ARG A 76 4.778 -11.584 11.876 1.00 0.00 C ATOM 1100 CD ARG A 76 5.863 -10.524 11.976 1.00 0.00 C ATOM 1101 NE ARG A 76 6.644 -10.654 13.204 1.00 0.00 N ATOM 1102 CZ ARG A 76 6.285 -10.113 14.363 1.00 0.00 C ATOM 1103 NH1 ARG A 76 5.164 -9.411 14.452 1.00 0.00 N ATOM 1104 NH2 ARG A 76 7.048 -10.275 15.437 1.00 0.00 N ATOM 0 H ARG A 76 1.274 -13.058 10.343 1.00 0.00 H new ATOM 0 HA ARG A 76 2.268 -11.770 12.663 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.707 -11.306 10.046 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.528 -9.990 11.189 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.469 -11.885 12.877 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.179 -12.471 11.386 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.526 -10.602 11.115 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.408 -9.534 11.939 1.00 0.00 H new ATOM 0 HE ARG A 76 7.512 -11.189 13.170 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.574 -9.285 13.629 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.891 -8.997 15.343 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.911 -10.815 15.373 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.772 -9.859 16.326 1.00 0.00 H new ATOM 1118 N PRO A 77 0.262 -10.396 12.194 1.00 0.00 N ATOM 1119 CA PRO A 77 -0.888 -9.510 11.992 1.00 0.00 C ATOM 1120 C PRO A 77 -0.469 -8.070 11.716 1.00 0.00 C ATOM 1121 O PRO A 77 0.157 -7.424 12.557 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.645 -9.602 13.319 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.608 -9.977 14.321 1.00 0.00 C ATOM 1124 CD PRO A 77 0.377 -10.847 13.591 1.00 0.00 C ATOM 0 HA PRO A 77 -1.481 -9.804 11.126 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.116 -8.652 13.573 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.438 -10.348 13.272 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.120 -9.091 14.728 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.052 -10.510 15.161 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.389 -10.716 13.973 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.132 -11.904 13.693 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.818 -7.573 10.534 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.479 -6.208 10.150 1.00 0.00 C ATOM 1134 C ILE A 78 -1.623 -5.249 10.462 1.00 0.00 C ATOM 1135 O ILE A 78 -2.737 -5.672 10.771 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.140 -6.114 8.650 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.382 -6.403 7.805 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.983 -7.079 8.300 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.188 -6.124 6.331 1.00 0.00 C ATOM 0 H ILE A 78 -1.335 -8.095 9.826 1.00 0.00 H new ATOM 0 HA ILE A 78 0.398 -5.925 10.732 1.00 0.00 H new ATOM 0 HB ILE A 78 0.197 -5.101 8.431 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.665 -7.448 7.935 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.211 -5.800 8.175 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.211 -7.001 7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.871 -6.830 8.881 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.672 -8.098 8.531 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.109 -6.351 5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.935 -5.073 6.190 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.380 -6.746 5.946 1.00 0.00 H new ATOM 1151 N THR A 79 -1.340 -3.952 10.377 1.00 0.00 N ATOM 1152 CA THR A 79 -2.344 -2.932 10.650 1.00 0.00 C ATOM 1153 C THR A 79 -2.252 -1.788 9.647 1.00 0.00 C ATOM 1154 O THR A 79 -1.186 -1.202 9.454 1.00 0.00 O ATOM 1155 CB THR A 79 -2.195 -2.364 12.074 1.00 0.00 C ATOM 1156 OG1 THR A 79 -0.859 -1.891 12.276 1.00 0.00 O ATOM 1157 CG2 THR A 79 -2.527 -3.421 13.116 1.00 0.00 C ATOM 0 H THR A 79 -0.424 -3.584 10.121 1.00 0.00 H new ATOM 0 HA THR A 79 -3.317 -3.414 10.559 1.00 0.00 H new ATOM 0 HB THR A 79 -2.894 -1.535 12.185 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.481 -1.602 11.419 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.415 -2.996 14.114 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.555 -3.757 12.978 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.850 -4.268 13.004 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.375 -1.473 9.010 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.421 -0.397 8.027 1.00 0.00 C ATOM 1167 C VAL A 80 -4.133 0.829 8.587 1.00 0.00 C ATOM 1168 O VAL A 80 -5.284 0.748 9.018 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.133 -0.846 6.737 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -3.938 0.183 5.634 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.630 -2.212 6.298 1.00 0.00 C ATOM 0 H VAL A 80 -4.266 -1.948 9.157 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.389 -0.138 7.792 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.201 -0.927 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.448 -0.151 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.352 1.140 5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.874 0.299 5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.144 -2.513 5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.557 -2.162 6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.827 -2.942 7.083 1.00 0.00 H new ATOM 1181 N SER A 81 -3.442 1.964 8.578 1.00 0.00 N ATOM 1182 CA SER A 81 -4.007 3.207 9.089 1.00 0.00 C ATOM 1183 C SER A 81 -3.547 4.397 8.251 1.00 0.00 C ATOM 1184 O SER A 81 -2.551 4.316 7.532 1.00 0.00 O ATOM 1185 CB SER A 81 -3.604 3.413 10.550 1.00 0.00 C ATOM 1186 OG SER A 81 -4.409 4.404 11.166 1.00 0.00 O ATOM 0 H SER A 81 -2.490 2.048 8.222 1.00 0.00 H new ATOM 0 HA SER A 81 -5.093 3.137 9.025 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.700 2.473 11.093 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.556 3.707 10.604 1.00 0.00 H new ATOM 0 HG SER A 81 -4.133 4.516 12.100 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.280 5.500 8.350 1.00 0.00 N ATOM 1193 CA TYR A 82 -3.950 6.707 7.600 1.00 0.00 C ATOM 1194 C TYR A 82 -2.781 7.445 8.244 1.00 0.00 C ATOM 1195 O TYR A 82 -2.957 8.184 9.213 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.168 7.629 7.517 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.149 7.240 6.435 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.733 7.069 5.120 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.494 7.044 6.727 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.627 6.714 4.129 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.394 6.688 5.742 1.00 0.00 C ATOM 1202 CZ TYR A 82 -7.956 6.525 4.444 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.849 6.171 3.459 1.00 0.00 O ATOM 0 H TYR A 82 -5.106 5.584 8.942 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.658 6.411 6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.681 7.627 8.479 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.829 8.650 7.339 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.693 7.216 4.869 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.841 7.172 7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.287 6.585 3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.435 6.538 5.986 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.361 5.951 2.638 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.587 7.241 7.697 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.389 7.889 8.215 1.00 0.00 C ATOM 1215 C ALA A 83 -0.592 9.394 8.347 1.00 0.00 C ATOM 1216 O ALA A 83 -0.312 10.153 7.418 1.00 0.00 O ATOM 1217 CB ALA A 83 0.802 7.592 7.315 1.00 0.00 C ATOM 0 H ALA A 83 -1.424 6.632 6.895 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.189 7.488 9.209 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.690 8.082 7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.968 6.516 7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.601 7.965 6.311 1.00 0.00 H new