USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 844 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 126 HIS : no HD1:sc= -3.96 K(o=-5.7,f=-7.2!) USER MOD Set 1.2: A 130 ASN :FLIP amide:sc= -1.76 F(o=-6.4!,f=-5.7) USER MOD Set 2.1: A 61 THR OG1 : rot 90:sc= -1.08 USER MOD Set 2.2: A 70 SER OG : rot -115:sc= 0.108 USER MOD Set 2.3: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 27 SER OG : rot 45:sc= -1.07 USER MOD Set 3.2: A 37 ASN : amide:sc= -0.0453 K(o=-1.1,f=-14!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.444 K(o=-0.44,f=-3.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0252 USER MOD Single : A 26 THR OG1 : rot -107:sc= 1.05 USER MOD Single : A 35 MET CE :methyl -135:sc= -2.37 (180deg=-4.13!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0.0275 K(o=0.028,f=-4.3!) USER MOD Single : A 46 HIS : no HD1:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 72:sc= 1.05 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= -3.97 USER MOD Single : A 59 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.023) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -83:sc= 0.703 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.753 K(o=-0.75,f=-1.6) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 101:sc= 0.218 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.816 X(o=-0.82,f=-0.95) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ILE A 7 -2.054 8.626 -7.119 1.00 0.00 N ATOM 102 CA ILE A 7 -2.334 8.459 -5.703 1.00 0.00 C ATOM 103 C ILE A 7 -1.017 8.289 -4.944 1.00 0.00 C ATOM 104 O ILE A 7 -0.785 7.254 -4.320 1.00 0.00 O ATOM 105 CB ILE A 7 -3.323 7.312 -5.485 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.689 7.642 -6.090 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.425 6.952 -4.001 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.665 6.479 -5.907 1.00 0.00 C ATOM 0 HA ILE A 7 -2.820 9.349 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.946 6.432 -6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.093 8.538 -5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.577 7.864 -7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.134 6.134 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.446 6.644 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.767 7.821 -3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.628 6.740 -6.346 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.270 5.591 -6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.794 6.276 -4.844 1.00 0.00 H new ATOM 120 N LYS A 8 -0.189 9.320 -5.021 1.00 0.00 N ATOM 121 CA LYS A 8 1.099 9.297 -4.349 1.00 0.00 C ATOM 122 C LYS A 8 0.982 10.023 -3.007 1.00 0.00 C ATOM 123 O LYS A 8 0.654 11.208 -2.965 1.00 0.00 O ATOM 124 CB LYS A 8 2.190 9.863 -5.261 1.00 0.00 C ATOM 125 CG LYS A 8 3.491 10.087 -4.487 1.00 0.00 C ATOM 126 CD LYS A 8 4.511 10.845 -5.337 1.00 0.00 C ATOM 127 CE LYS A 8 5.557 11.531 -4.456 1.00 0.00 C ATOM 128 NZ LYS A 8 6.285 12.565 -5.225 1.00 0.00 N ATOM 0 H LYS A 8 -0.385 10.177 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 8 1.397 8.271 -4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.369 9.177 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.854 10.805 -5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.284 10.647 -3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.908 9.127 -4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.003 10.155 -6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.000 11.589 -5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.072 11.986 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.260 10.791 -4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.991 13.021 -4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.764 12.122 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.612 13.280 -5.569 1.00 0.00 H new ATOM 142 N LYS A 9 1.256 9.282 -1.944 1.00 0.00 N ATOM 143 CA LYS A 9 1.186 9.840 -0.604 1.00 0.00 C ATOM 144 C LYS A 9 2.476 9.513 0.149 1.00 0.00 C ATOM 145 O LYS A 9 3.255 8.666 -0.286 1.00 0.00 O ATOM 146 CB LYS A 9 -0.081 9.363 0.109 1.00 0.00 C ATOM 147 CG LYS A 9 -1.330 9.691 -0.711 1.00 0.00 C ATOM 148 CD LYS A 9 -2.159 10.784 -0.034 1.00 0.00 C ATOM 149 CE LYS A 9 -3.401 11.122 -0.861 1.00 0.00 C ATOM 150 NZ LYS A 9 -3.942 12.442 -0.469 1.00 0.00 N ATOM 0 H LYS A 9 1.527 8.299 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 9 1.110 10.926 -0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.025 8.288 0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.151 9.836 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.039 10.017 -1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.936 8.793 -0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.459 10.454 0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.550 11.679 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.149 11.126 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.161 10.354 -0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.785 12.655 -1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.201 12.426 0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.221 13.174 -0.629 1.00 0.00 H new ATOM 164 N GLU A 10 2.664 10.202 1.265 1.00 0.00 N ATOM 165 CA GLU A 10 3.847 9.995 2.083 1.00 0.00 C ATOM 166 C GLU A 10 3.529 10.267 3.555 1.00 0.00 C ATOM 167 O GLU A 10 2.919 11.283 3.884 1.00 0.00 O ATOM 168 CB GLU A 10 5.006 10.869 1.601 1.00 0.00 C ATOM 169 CG GLU A 10 6.276 10.590 2.408 1.00 0.00 C ATOM 170 CD GLU A 10 6.421 11.584 3.563 1.00 0.00 C ATOM 171 OE1 GLU A 10 6.717 12.761 3.264 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.232 11.144 4.717 1.00 0.00 O ATOM 0 H GLU A 10 2.016 10.905 1.622 1.00 0.00 H new ATOM 0 HA GLU A 10 4.155 8.954 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.194 10.680 0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.736 11.921 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.246 9.573 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.147 10.655 1.756 1.00 0.00 H new ATOM 179 N VAL A 11 3.958 9.342 4.400 1.00 0.00 N ATOM 180 CA VAL A 11 3.727 9.470 5.829 1.00 0.00 C ATOM 181 C VAL A 11 5.009 9.110 6.583 1.00 0.00 C ATOM 182 O VAL A 11 5.820 8.325 6.095 1.00 0.00 O ATOM 183 CB VAL A 11 2.529 8.613 6.244 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.212 9.281 5.844 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.632 7.205 5.655 1.00 0.00 C ATOM 0 H VAL A 11 4.464 8.501 4.123 1.00 0.00 H new ATOM 0 HA VAL A 11 3.478 10.500 6.085 1.00 0.00 H new ATOM 0 HB VAL A 11 2.542 8.523 7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.377 8.651 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.133 10.252 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.186 9.417 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.768 6.617 5.965 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.657 7.267 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.544 6.727 6.012 1.00 0.00 H new ATOM 195 N ARG A 12 5.151 9.702 7.760 1.00 0.00 N ATOM 196 CA ARG A 12 6.321 9.454 8.585 1.00 0.00 C ATOM 197 C ARG A 12 5.911 8.786 9.899 1.00 0.00 C ATOM 198 O ARG A 12 5.021 9.271 10.595 1.00 0.00 O ATOM 199 CB ARG A 12 7.064 10.756 8.894 1.00 0.00 C ATOM 200 CG ARG A 12 8.299 10.491 9.756 1.00 0.00 C ATOM 201 CD ARG A 12 8.751 11.766 10.473 1.00 0.00 C ATOM 202 NE ARG A 12 9.769 11.437 11.496 1.00 0.00 N ATOM 203 CZ ARG A 12 10.259 12.319 12.377 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.828 13.588 12.367 1.00 0.00 N ATOM 205 NH2 ARG A 12 11.181 11.932 13.270 1.00 0.00 N ATOM 0 H ARG A 12 4.476 10.352 8.162 1.00 0.00 H new ATOM 0 HA ARG A 12 6.985 8.793 8.028 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.363 11.238 7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.397 11.446 9.411 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.075 9.717 10.490 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.109 10.114 9.131 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.163 12.472 9.752 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.896 12.252 10.942 1.00 0.00 H new ATOM 0 HE ARG A 12 10.119 10.480 11.532 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.126 13.883 11.688 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.202 14.259 13.038 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.509 10.966 13.278 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.554 12.603 13.941 1.00 0.00 H new ATOM 219 N PHE A 13 6.580 7.682 10.198 1.00 0.00 N ATOM 220 CA PHE A 13 6.297 6.942 11.416 1.00 0.00 C ATOM 221 C PHE A 13 7.572 6.721 12.233 1.00 0.00 C ATOM 222 O PHE A 13 8.658 6.590 11.671 1.00 0.00 O ATOM 223 CB PHE A 13 5.734 5.583 10.993 1.00 0.00 C ATOM 224 CG PHE A 13 4.415 5.668 10.223 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.456 6.551 10.613 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.200 4.861 9.150 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.232 6.630 9.899 1.00 0.00 C ATOM 228 CE2 PHE A 13 2.976 4.940 8.436 1.00 0.00 C ATOM 229 CZ PHE A 13 2.017 5.823 8.825 1.00 0.00 C ATOM 0 H PHE A 13 7.317 7.282 9.618 1.00 0.00 H new ATOM 0 HA PHE A 13 5.594 7.499 12.035 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.472 5.072 10.374 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.585 4.970 11.882 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.626 7.192 11.466 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.961 4.160 8.841 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.471 7.331 10.208 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.806 4.299 7.584 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.086 5.883 8.282 1.00 0.00 H new ATOM 239 N ASN A 14 7.397 6.686 13.545 1.00 0.00 N ATOM 240 CA ASN A 14 8.520 6.483 14.445 1.00 0.00 C ATOM 241 C ASN A 14 8.720 4.984 14.674 1.00 0.00 C ATOM 242 O ASN A 14 7.898 4.336 15.320 1.00 0.00 O ATOM 243 CB ASN A 14 8.263 7.138 15.803 1.00 0.00 C ATOM 244 CG ASN A 14 9.334 8.184 16.119 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.221 8.460 15.328 1.00 0.00 O ATOM 246 ND2 ASN A 14 9.203 8.748 17.316 1.00 0.00 N ATOM 0 H ASN A 14 6.494 6.795 14.007 1.00 0.00 H new ATOM 0 HA ASN A 14 9.402 6.932 13.989 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.279 7.608 15.804 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.253 6.376 16.582 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.869 9.458 17.621 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.437 8.470 17.929 1.00 0.00 H new ATOM 253 N ALA A 15 9.817 4.476 14.131 1.00 0.00 N ATOM 254 CA ALA A 15 10.135 3.065 14.268 1.00 0.00 C ATOM 255 C ALA A 15 11.327 2.726 13.371 1.00 0.00 C ATOM 256 O ALA A 15 11.661 3.486 12.463 1.00 0.00 O ATOM 257 CB ALA A 15 8.898 2.227 13.935 1.00 0.00 C ATOM 0 H ALA A 15 10.496 5.016 13.596 1.00 0.00 H new ATOM 0 HA ALA A 15 10.418 2.834 15.295 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.137 1.169 14.038 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.089 2.484 14.619 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.586 2.430 12.911 1.00 0.00 H new ATOM 263 N PRO A 16 11.952 1.554 13.663 1.00 0.00 N ATOM 264 CA PRO A 16 13.100 1.105 12.894 1.00 0.00 C ATOM 265 C PRO A 16 12.668 0.573 11.526 1.00 0.00 C ATOM 266 O PRO A 16 11.833 -0.325 11.441 1.00 0.00 O ATOM 267 CB PRO A 16 13.765 0.048 13.759 1.00 0.00 C ATOM 268 CG PRO A 16 12.714 -0.387 14.767 1.00 0.00 C ATOM 269 CD PRO A 16 11.585 0.629 14.731 1.00 0.00 C ATOM 0 HA PRO A 16 13.797 1.912 12.669 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.101 -0.796 13.156 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.645 0.451 14.261 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.340 -1.382 14.524 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.144 -0.444 15.767 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.627 0.150 14.528 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.487 1.146 15.686 1.00 0.00 H new ATOM 277 N ILE A 17 13.258 1.151 10.489 1.00 0.00 N ATOM 278 CA ILE A 17 12.944 0.745 9.129 1.00 0.00 C ATOM 279 C ILE A 17 13.060 -0.776 9.015 1.00 0.00 C ATOM 280 O ILE A 17 12.374 -1.395 8.203 1.00 0.00 O ATOM 281 CB ILE A 17 13.819 1.505 8.129 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.386 1.214 6.691 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.301 1.200 8.354 1.00 0.00 C ATOM 284 CD1 ILE A 17 14.022 2.206 5.715 1.00 0.00 C ATOM 0 H ILE A 17 13.951 1.896 10.563 1.00 0.00 H new ATOM 0 HA ILE A 17 11.915 1.005 8.881 1.00 0.00 H new ATOM 0 HB ILE A 17 13.681 2.573 8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.672 0.198 6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.300 1.270 6.616 1.00 0.00 H new ATOM 0 HG21 ILE A 17 15.900 1.753 7.630 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.585 1.498 9.363 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.476 0.131 8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.698 1.977 4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.714 3.219 5.974 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.108 2.130 5.775 1.00 0.00 H new ATOM 296 N GLU A 18 13.932 -1.335 9.841 1.00 0.00 N ATOM 297 CA GLU A 18 14.146 -2.772 9.844 1.00 0.00 C ATOM 298 C GLU A 18 12.835 -3.503 10.144 1.00 0.00 C ATOM 299 O GLU A 18 12.624 -4.622 9.678 1.00 0.00 O ATOM 300 CB GLU A 18 15.233 -3.163 10.846 1.00 0.00 C ATOM 301 CG GLU A 18 16.241 -4.125 10.215 1.00 0.00 C ATOM 302 CD GLU A 18 16.734 -5.152 11.237 1.00 0.00 C ATOM 303 OE1 GLU A 18 17.456 -4.728 12.164 1.00 0.00 O ATOM 304 OE2 GLU A 18 16.377 -6.338 11.067 1.00 0.00 O ATOM 0 H GLU A 18 14.499 -0.818 10.513 1.00 0.00 H new ATOM 0 HA GLU A 18 14.488 -3.071 8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.749 -2.269 11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.777 -3.630 11.719 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.780 -4.639 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.088 -3.563 9.821 1.00 0.00 H new ATOM 311 N LYS A 19 11.990 -2.841 10.919 1.00 0.00 N ATOM 312 CA LYS A 19 10.706 -3.414 11.287 1.00 0.00 C ATOM 313 C LYS A 19 9.667 -3.051 10.224 1.00 0.00 C ATOM 314 O LYS A 19 9.035 -3.931 9.643 1.00 0.00 O ATOM 315 CB LYS A 19 10.313 -2.985 12.702 1.00 0.00 C ATOM 316 CG LYS A 19 9.261 -3.929 13.289 1.00 0.00 C ATOM 317 CD LYS A 19 8.526 -3.272 14.458 1.00 0.00 C ATOM 318 CE LYS A 19 7.564 -4.257 15.124 1.00 0.00 C ATOM 319 NZ LYS A 19 6.732 -3.566 16.135 1.00 0.00 N ATOM 0 H LYS A 19 12.169 -1.913 11.303 1.00 0.00 H new ATOM 0 HA LYS A 19 10.769 -4.502 11.314 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.196 -2.976 13.341 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.923 -1.967 12.682 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.545 -4.208 12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.740 -4.848 13.626 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.249 -2.912 15.191 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.973 -2.403 14.102 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.924 -4.716 14.370 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.127 -5.062 15.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.085 -4.249 16.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.346 -3.149 16.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.180 -2.814 15.675 1.00 0.00 H new ATOM 333 N VAL A 20 9.524 -1.753 10.001 1.00 0.00 N ATOM 334 CA VAL A 20 8.573 -1.262 9.018 1.00 0.00 C ATOM 335 C VAL A 20 8.821 -1.964 7.681 1.00 0.00 C ATOM 336 O VAL A 20 7.883 -2.220 6.928 1.00 0.00 O ATOM 337 CB VAL A 20 8.662 0.262 8.919 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.533 0.821 8.051 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.654 0.903 10.308 1.00 0.00 C ATOM 0 H VAL A 20 10.051 -1.026 10.484 1.00 0.00 H new ATOM 0 HA VAL A 20 7.553 -1.495 9.324 1.00 0.00 H new ATOM 0 HB VAL A 20 9.609 0.512 8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.619 1.906 7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.603 0.401 7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.571 0.555 8.489 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.718 1.987 10.209 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.731 0.640 10.825 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.507 0.540 10.881 1.00 0.00 H new ATOM 349 N TRP A 21 10.088 -2.254 7.428 1.00 0.00 N ATOM 350 CA TRP A 21 10.471 -2.921 6.195 1.00 0.00 C ATOM 351 C TRP A 21 9.852 -4.320 6.202 1.00 0.00 C ATOM 352 O TRP A 21 9.129 -4.687 5.277 1.00 0.00 O ATOM 353 CB TRP A 21 11.992 -2.941 6.032 1.00 0.00 C ATOM 354 CG TRP A 21 12.476 -3.710 4.801 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.358 -4.718 4.751 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.066 -3.491 3.434 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.546 -5.163 3.459 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.735 -4.393 2.632 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.160 -2.562 2.894 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.569 -4.454 1.243 1.00 0.00 C ATOM 361 CZ3 TRP A 21 11.005 -2.635 1.505 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.672 -3.537 0.683 1.00 0.00 C ATOM 0 H TRP A 21 10.863 -2.040 8.056 1.00 0.00 H new ATOM 0 HA TRP A 21 10.093 -2.378 5.329 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.354 -1.915 5.972 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.437 -3.385 6.923 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.859 -5.130 5.614 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.166 -5.918 3.164 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.625 -1.848 3.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.104 -5.170 0.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.320 -1.943 1.039 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.499 -3.530 -0.383 1.00 0.00 H new ATOM 373 N GLU A 22 10.158 -5.063 7.256 1.00 0.00 N ATOM 374 CA GLU A 22 9.641 -6.413 7.395 1.00 0.00 C ATOM 375 C GLU A 22 8.111 -6.395 7.424 1.00 0.00 C ATOM 376 O GLU A 22 7.469 -7.383 7.071 1.00 0.00 O ATOM 377 CB GLU A 22 10.205 -7.090 8.646 1.00 0.00 C ATOM 378 CG GLU A 22 10.932 -8.387 8.287 1.00 0.00 C ATOM 379 CD GLU A 22 10.599 -9.497 9.286 1.00 0.00 C ATOM 380 OE1 GLU A 22 10.958 -9.322 10.470 1.00 0.00 O ATOM 381 OE2 GLU A 22 9.992 -10.496 8.842 1.00 0.00 O ATOM 0 H GLU A 22 10.758 -4.755 8.022 1.00 0.00 H new ATOM 0 HA GLU A 22 9.962 -6.995 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.892 -6.412 9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.396 -7.304 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.649 -8.700 7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.008 -8.214 8.276 1.00 0.00 H new ATOM 388 N ALA A 23 7.572 -5.261 7.847 1.00 0.00 N ATOM 389 CA ALA A 23 6.130 -5.102 7.926 1.00 0.00 C ATOM 390 C ALA A 23 5.557 -4.979 6.513 1.00 0.00 C ATOM 391 O ALA A 23 4.354 -5.139 6.311 1.00 0.00 O ATOM 392 CB ALA A 23 5.798 -3.889 8.798 1.00 0.00 C ATOM 0 H ALA A 23 8.108 -4.444 8.139 1.00 0.00 H new ATOM 0 HA ALA A 23 5.672 -5.974 8.392 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.716 -3.769 8.858 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.202 -4.039 9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.239 -2.994 8.359 1.00 0.00 H new ATOM 398 N VAL A 24 6.444 -4.696 5.571 1.00 0.00 N ATOM 399 CA VAL A 24 6.041 -4.549 4.182 1.00 0.00 C ATOM 400 C VAL A 24 6.787 -5.577 3.329 1.00 0.00 C ATOM 401 O VAL A 24 6.730 -5.528 2.101 1.00 0.00 O ATOM 402 CB VAL A 24 6.271 -3.109 3.720 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.538 -2.119 4.627 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.765 -2.787 3.650 1.00 0.00 C ATOM 0 H VAL A 24 7.441 -4.564 5.742 1.00 0.00 H new ATOM 0 HA VAL A 24 4.975 -4.745 4.070 1.00 0.00 H new ATOM 0 HB VAL A 24 5.860 -3.010 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.718 -1.103 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.468 -2.327 4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.905 -2.221 5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.900 -1.757 3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.211 -2.912 4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.250 -3.462 2.944 1.00 0.00 H new ATOM 414 N SER A 25 7.468 -6.485 4.013 1.00 0.00 N ATOM 415 CA SER A 25 8.224 -7.523 3.332 1.00 0.00 C ATOM 416 C SER A 25 7.588 -8.890 3.595 1.00 0.00 C ATOM 417 O SER A 25 7.721 -9.806 2.785 1.00 0.00 O ATOM 418 CB SER A 25 9.687 -7.522 3.780 1.00 0.00 C ATOM 419 OG SER A 25 9.988 -8.632 4.621 1.00 0.00 O ATOM 0 H SER A 25 7.512 -6.524 5.031 1.00 0.00 H new ATOM 0 HA SER A 25 8.200 -7.318 2.262 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.335 -7.545 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.903 -6.595 4.312 1.00 0.00 H new ATOM 0 HG SER A 25 10.931 -8.597 4.884 1.00 0.00 H new ATOM 425 N THR A 26 6.912 -8.984 4.730 1.00 0.00 N ATOM 426 CA THR A 26 6.256 -10.224 5.110 1.00 0.00 C ATOM 427 C THR A 26 4.786 -10.201 4.685 1.00 0.00 C ATOM 428 O THR A 26 4.307 -9.203 4.149 1.00 0.00 O ATOM 429 CB THR A 26 6.451 -10.421 6.614 1.00 0.00 C ATOM 430 OG1 THR A 26 5.903 -9.239 7.193 1.00 0.00 O ATOM 431 CG2 THR A 26 7.925 -10.386 7.023 1.00 0.00 C ATOM 0 H THR A 26 6.804 -8.222 5.399 1.00 0.00 H new ATOM 0 HA THR A 26 6.697 -11.078 4.597 1.00 0.00 H new ATOM 0 HB THR A 26 6.013 -11.373 6.915 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.629 -8.670 7.524 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.007 -10.531 8.100 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.464 -11.181 6.508 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.355 -9.422 6.753 1.00 0.00 H new ATOM 439 N SER A 27 4.112 -11.312 4.942 1.00 0.00 N ATOM 440 CA SER A 27 2.706 -11.432 4.594 1.00 0.00 C ATOM 441 C SER A 27 1.836 -11.060 5.795 1.00 0.00 C ATOM 442 O SER A 27 0.893 -10.281 5.665 1.00 0.00 O ATOM 443 CB SER A 27 2.376 -12.848 4.117 1.00 0.00 C ATOM 444 OG SER A 27 2.781 -13.066 2.769 1.00 0.00 O ATOM 0 H SER A 27 4.513 -12.137 5.387 1.00 0.00 H new ATOM 0 HA SER A 27 2.496 -10.744 3.775 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.869 -13.573 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.303 -13.019 4.205 1.00 0.00 H new ATOM 0 HG SER A 27 3.683 -12.706 2.636 1.00 0.00 H new ATOM 450 N GLU A 28 2.183 -11.634 6.938 1.00 0.00 N ATOM 451 CA GLU A 28 1.444 -11.372 8.162 1.00 0.00 C ATOM 452 C GLU A 28 1.541 -9.891 8.533 1.00 0.00 C ATOM 453 O GLU A 28 0.565 -9.296 8.987 1.00 0.00 O ATOM 454 CB GLU A 28 1.945 -12.258 9.304 1.00 0.00 C ATOM 455 CG GLU A 28 0.825 -13.155 9.834 1.00 0.00 C ATOM 456 CD GLU A 28 -0.049 -12.404 10.841 1.00 0.00 C ATOM 457 OE1 GLU A 28 0.532 -11.617 11.620 1.00 0.00 O ATOM 458 OE2 GLU A 28 -1.277 -12.635 10.810 1.00 0.00 O ATOM 0 H GLU A 28 2.966 -12.279 7.042 1.00 0.00 H new ATOM 0 HA GLU A 28 0.395 -11.615 7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.774 -12.873 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.329 -11.634 10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.211 -13.505 9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.255 -14.038 10.307 1.00 0.00 H new ATOM 465 N GLY A 29 2.727 -9.338 8.327 1.00 0.00 N ATOM 466 CA GLY A 29 2.964 -7.938 8.634 1.00 0.00 C ATOM 467 C GLY A 29 2.168 -7.028 7.697 1.00 0.00 C ATOM 468 O GLY A 29 1.627 -6.010 8.125 1.00 0.00 O ATOM 0 H GLY A 29 3.535 -9.835 7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.683 -7.736 9.668 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.028 -7.717 8.544 1.00 0.00 H new ATOM 472 N LEU A 30 2.121 -7.429 6.435 1.00 0.00 N ATOM 473 CA LEU A 30 1.400 -6.663 5.433 1.00 0.00 C ATOM 474 C LEU A 30 -0.104 -6.796 5.680 1.00 0.00 C ATOM 475 O LEU A 30 -0.806 -5.794 5.815 1.00 0.00 O ATOM 476 CB LEU A 30 1.831 -7.081 4.026 1.00 0.00 C ATOM 477 CG LEU A 30 2.704 -6.080 3.266 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.935 -6.767 2.672 1.00 0.00 C ATOM 479 CD2 LEU A 30 1.892 -5.339 2.203 1.00 0.00 C ATOM 0 H LEU A 30 2.571 -8.274 6.084 1.00 0.00 H new ATOM 0 HA LEU A 30 1.645 -5.604 5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.373 -8.024 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.935 -7.273 3.435 1.00 0.00 H new ATOM 0 HG LEU A 30 3.062 -5.333 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.538 -6.034 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.527 -7.209 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.618 -7.549 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.537 -4.634 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.484 -6.057 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.076 -4.797 2.681 1.00 0.00 H new ATOM 491 N ALA A 31 -0.555 -8.040 5.733 1.00 0.00 N ATOM 492 CA ALA A 31 -1.963 -8.317 5.961 1.00 0.00 C ATOM 493 C ALA A 31 -2.401 -7.661 7.272 1.00 0.00 C ATOM 494 O ALA A 31 -3.594 -7.478 7.511 1.00 0.00 O ATOM 495 CB ALA A 31 -2.193 -9.830 5.962 1.00 0.00 C ATOM 0 H ALA A 31 0.030 -8.868 5.622 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.571 -7.895 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.249 -10.037 6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.893 -10.244 4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.601 -10.288 6.754 1.00 0.00 H new ATOM 501 N PHE A 32 -1.412 -7.324 8.088 1.00 0.00 N ATOM 502 CA PHE A 32 -1.681 -6.692 9.368 1.00 0.00 C ATOM 503 C PHE A 32 -2.357 -5.332 9.177 1.00 0.00 C ATOM 504 O PHE A 32 -2.995 -4.818 10.094 1.00 0.00 O ATOM 505 CB PHE A 32 -0.330 -6.484 10.056 1.00 0.00 C ATOM 506 CG PHE A 32 -0.347 -6.772 11.559 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.249 -6.145 12.361 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.540 -7.654 12.092 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.264 -6.411 13.756 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.525 -7.920 13.487 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.377 -7.294 14.289 1.00 0.00 C ATOM 0 H PHE A 32 -0.424 -7.477 7.887 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.348 -7.319 9.960 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.411 -7.127 9.581 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.007 -5.455 9.897 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.954 -5.445 11.937 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.256 -8.152 11.455 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.979 -5.912 14.393 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.230 -8.620 13.911 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.389 -7.498 15.350 1.00 0.00 H new ATOM 521 N TRP A 33 -2.194 -4.789 7.979 1.00 0.00 N ATOM 522 CA TRP A 33 -2.781 -3.500 7.657 1.00 0.00 C ATOM 523 C TRP A 33 -3.370 -3.588 6.247 1.00 0.00 C ATOM 524 O TRP A 33 -4.519 -3.208 6.026 1.00 0.00 O ATOM 525 CB TRP A 33 -1.752 -2.377 7.805 1.00 0.00 C ATOM 526 CG TRP A 33 -0.468 -2.599 7.004 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.573 -3.385 7.315 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.127 -1.994 5.739 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.554 -3.331 6.347 1.00 0.00 N ATOM 530 CE2 TRP A 33 1.115 -2.458 5.358 1.00 0.00 C ATOM 531 CE3 TRP A 33 -0.846 -1.084 4.943 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.748 -2.068 4.172 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.199 -0.704 3.761 1.00 0.00 C ATOM 534 CH2 TRP A 33 1.051 -1.162 3.363 1.00 0.00 C ATOM 0 H TRP A 33 -1.664 -5.218 7.220 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.582 -3.256 8.355 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.207 -1.438 7.490 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.496 -2.269 8.859 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.635 -3.985 8.211 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.439 -3.838 6.355 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.820 -0.708 5.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.721 -2.445 3.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.707 -0.006 3.113 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.483 -0.821 2.434 1.00 0.00 H new ATOM 545 N PHE A 34 -2.556 -4.091 5.331 1.00 0.00 N ATOM 546 CA PHE A 34 -2.983 -4.233 3.949 1.00 0.00 C ATOM 547 C PHE A 34 -4.061 -5.311 3.816 1.00 0.00 C ATOM 548 O PHE A 34 -5.252 -5.017 3.908 1.00 0.00 O ATOM 549 CB PHE A 34 -1.753 -4.657 3.143 1.00 0.00 C ATOM 550 CG PHE A 34 -2.077 -5.173 1.739 1.00 0.00 C ATOM 551 CD1 PHE A 34 -2.985 -4.518 0.967 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.456 -6.286 1.264 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.285 -4.997 -0.336 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.757 -6.765 -0.038 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.665 -6.110 -0.811 1.00 0.00 C ATOM 0 H PHE A 34 -1.604 -4.405 5.518 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.401 -3.293 3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.075 -3.807 3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.222 -5.435 3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.478 -3.634 1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.734 -6.805 1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.006 -4.477 -0.950 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.265 -7.650 -0.415 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.893 -6.474 -1.802 1.00 0.00 H new ATOM 565 N MET A 35 -3.604 -6.536 3.603 1.00 0.00 N ATOM 566 CA MET A 35 -4.515 -7.659 3.457 1.00 0.00 C ATOM 567 C MET A 35 -3.750 -8.984 3.421 1.00 0.00 C ATOM 568 O MET A 35 -2.534 -8.998 3.241 1.00 0.00 O ATOM 569 CB MET A 35 -5.320 -7.499 2.166 1.00 0.00 C ATOM 570 CG MET A 35 -6.651 -6.793 2.435 1.00 0.00 C ATOM 571 SD MET A 35 -6.735 -5.274 1.503 1.00 0.00 S ATOM 572 CE MET A 35 -6.583 -5.918 -0.155 1.00 0.00 C ATOM 0 H MET A 35 -2.615 -6.776 3.528 1.00 0.00 H new ATOM 0 HA MET A 35 -5.187 -7.672 4.315 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.741 -6.928 1.440 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.506 -8.478 1.725 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.480 -7.445 2.159 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.752 -6.582 3.500 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.875 -5.310 -0.718 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.225 -6.947 -0.114 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.556 -5.891 -0.646 1.00 0.00 H new ATOM 582 N GLU A 36 -4.496 -10.066 3.595 1.00 0.00 N ATOM 583 CA GLU A 36 -3.903 -11.392 3.585 1.00 0.00 C ATOM 584 C GLU A 36 -3.202 -11.650 2.249 1.00 0.00 C ATOM 585 O GLU A 36 -3.699 -11.254 1.196 1.00 0.00 O ATOM 586 CB GLU A 36 -4.957 -12.465 3.866 1.00 0.00 C ATOM 587 CG GLU A 36 -5.436 -12.396 5.317 1.00 0.00 C ATOM 588 CD GLU A 36 -5.774 -13.789 5.851 1.00 0.00 C ATOM 589 OE1 GLU A 36 -6.912 -14.236 5.591 1.00 0.00 O ATOM 590 OE2 GLU A 36 -4.887 -14.377 6.507 1.00 0.00 O ATOM 0 H GLU A 36 -5.505 -10.051 3.744 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.159 -11.442 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.804 -12.333 3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.540 -13.451 3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.663 -11.943 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.315 -11.754 5.383 1.00 0.00 H new ATOM 597 N ASN A 37 -2.057 -12.311 2.337 1.00 0.00 N ATOM 598 CA ASN A 37 -1.282 -12.626 1.149 1.00 0.00 C ATOM 599 C ASN A 37 -0.194 -13.640 1.508 1.00 0.00 C ATOM 600 O ASN A 37 -0.105 -14.080 2.654 1.00 0.00 O ATOM 601 CB ASN A 37 -0.598 -11.377 0.590 1.00 0.00 C ATOM 602 CG ASN A 37 0.438 -10.832 1.575 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.634 -11.014 1.422 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.087 -10.156 2.593 1.00 0.00 N ATOM 0 H ASN A 37 -1.647 -12.637 3.212 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.963 -13.030 0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.114 -11.616 -0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.345 -10.611 0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.522 -9.753 3.306 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.098 -10.040 2.661 1.00 0.00 H new ATOM 611 N ASP A 38 0.605 -13.982 0.509 1.00 0.00 N ATOM 612 CA ASP A 38 1.684 -14.936 0.706 1.00 0.00 C ATOM 613 C ASP A 38 3.003 -14.307 0.254 1.00 0.00 C ATOM 614 O ASP A 38 3.964 -15.017 -0.041 1.00 0.00 O ATOM 615 CB ASP A 38 1.456 -16.203 -0.121 1.00 0.00 C ATOM 616 CG ASP A 38 0.184 -16.980 0.224 1.00 0.00 C ATOM 617 OD1 ASP A 38 -0.620 -16.433 1.009 1.00 0.00 O ATOM 618 OD2 ASP A 38 0.045 -18.104 -0.305 1.00 0.00 O ATOM 0 H ASP A 38 0.527 -13.616 -0.440 1.00 0.00 H new ATOM 0 HA ASP A 38 1.716 -15.197 1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.422 -15.929 -1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.314 -16.863 0.009 1.00 0.00 H new ATOM 623 N LEU A 39 3.008 -12.983 0.214 1.00 0.00 N ATOM 624 CA LEU A 39 4.194 -12.251 -0.197 1.00 0.00 C ATOM 625 C LEU A 39 5.364 -12.631 0.713 1.00 0.00 C ATOM 626 O LEU A 39 5.159 -13.036 1.857 1.00 0.00 O ATOM 627 CB LEU A 39 3.909 -10.748 -0.237 1.00 0.00 C ATOM 628 CG LEU A 39 5.036 -9.866 -0.779 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.531 -8.963 -1.907 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.695 -9.065 0.345 1.00 0.00 C ATOM 0 H LEU A 39 2.209 -12.398 0.460 1.00 0.00 H new ATOM 0 HA LEU A 39 4.478 -12.526 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.020 -10.583 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.669 -10.417 0.773 1.00 0.00 H new ATOM 0 HG LEU A 39 5.803 -10.514 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.351 -8.347 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.146 -9.578 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.735 -8.321 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.492 -8.447 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.951 -8.427 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.112 -9.750 1.083 1.00 0.00 H new ATOM 642 N LYS A 40 6.565 -12.487 0.172 1.00 0.00 N ATOM 643 CA LYS A 40 7.767 -12.810 0.921 1.00 0.00 C ATOM 644 C LYS A 40 8.899 -11.878 0.487 1.00 0.00 C ATOM 645 O LYS A 40 10.074 -12.202 0.654 1.00 0.00 O ATOM 646 CB LYS A 40 8.104 -14.296 0.778 1.00 0.00 C ATOM 647 CG LYS A 40 7.692 -15.075 2.029 1.00 0.00 C ATOM 648 CD LYS A 40 8.414 -16.422 2.099 1.00 0.00 C ATOM 649 CE LYS A 40 9.706 -16.310 2.911 1.00 0.00 C ATOM 650 NZ LYS A 40 10.437 -17.597 2.902 1.00 0.00 N ATOM 0 H LYS A 40 6.731 -12.151 -0.777 1.00 0.00 H new ATOM 0 HA LYS A 40 7.608 -12.644 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.594 -14.706 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.174 -14.415 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.922 -14.489 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.614 -15.236 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.759 -17.167 2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.642 -16.769 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.337 -15.524 2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.474 -16.024 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.311 -17.504 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.839 -18.339 3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.675 -17.854 1.923 1.00 0.00 H new ATOM 664 N ALA A 41 8.507 -10.738 -0.063 1.00 0.00 N ATOM 665 CA ALA A 41 9.474 -9.756 -0.522 1.00 0.00 C ATOM 666 C ALA A 41 10.489 -10.439 -1.441 1.00 0.00 C ATOM 667 O ALA A 41 11.672 -10.521 -1.114 1.00 0.00 O ATOM 668 CB ALA A 41 10.137 -9.088 0.684 1.00 0.00 C ATOM 0 H ALA A 41 7.532 -10.473 -0.201 1.00 0.00 H new ATOM 0 HA ALA A 41 8.981 -8.972 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.862 -8.351 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.377 -8.593 1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.644 -9.843 1.285 1.00 0.00 H new ATOM 674 N GLU A 42 9.990 -10.910 -2.574 1.00 0.00 N ATOM 675 CA GLU A 42 10.839 -11.583 -3.543 1.00 0.00 C ATOM 676 C GLU A 42 10.402 -11.230 -4.967 1.00 0.00 C ATOM 677 O GLU A 42 9.231 -11.373 -5.314 1.00 0.00 O ATOM 678 CB GLU A 42 10.826 -13.097 -3.325 1.00 0.00 C ATOM 679 CG GLU A 42 12.249 -13.644 -3.189 1.00 0.00 C ATOM 680 CD GLU A 42 12.291 -14.824 -2.217 1.00 0.00 C ATOM 681 OE1 GLU A 42 11.659 -15.852 -2.544 1.00 0.00 O ATOM 682 OE2 GLU A 42 12.955 -14.673 -1.168 1.00 0.00 O ATOM 0 H GLU A 42 9.009 -10.839 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 42 11.863 -11.238 -3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.254 -13.334 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.324 -13.584 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.616 -13.959 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.914 -12.855 -2.838 1.00 0.00 H new ATOM 689 N THR A 43 11.367 -10.776 -5.752 1.00 0.00 N ATOM 690 CA THR A 43 11.097 -10.401 -7.130 1.00 0.00 C ATOM 691 C THR A 43 10.696 -11.631 -7.948 1.00 0.00 C ATOM 692 O THR A 43 11.212 -12.725 -7.724 1.00 0.00 O ATOM 693 CB THR A 43 12.334 -9.685 -7.676 1.00 0.00 C ATOM 694 OG1 THR A 43 11.824 -8.862 -8.722 1.00 0.00 O ATOM 695 CG2 THR A 43 13.296 -10.638 -8.387 1.00 0.00 C ATOM 0 H THR A 43 12.337 -10.659 -5.461 1.00 0.00 H new ATOM 0 HA THR A 43 10.252 -9.716 -7.196 1.00 0.00 H new ATOM 0 HB THR A 43 12.855 -9.186 -6.859 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.559 -8.360 -9.131 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.156 -10.079 -8.755 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.633 -11.403 -7.688 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.785 -11.112 -9.225 1.00 0.00 H new ATOM 703 N GLY A 44 9.780 -11.409 -8.879 1.00 0.00 N ATOM 704 CA GLY A 44 9.304 -12.485 -9.732 1.00 0.00 C ATOM 705 C GLY A 44 8.607 -13.570 -8.908 1.00 0.00 C ATOM 706 O GLY A 44 8.634 -14.744 -9.271 1.00 0.00 O ATOM 0 H GLY A 44 9.355 -10.500 -9.061 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.613 -12.087 -10.474 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.142 -12.919 -10.277 1.00 0.00 H new ATOM 710 N HIS A 45 7.998 -13.137 -7.814 1.00 0.00 N ATOM 711 CA HIS A 45 7.295 -14.056 -6.935 1.00 0.00 C ATOM 712 C HIS A 45 5.848 -14.212 -7.408 1.00 0.00 C ATOM 713 O HIS A 45 5.399 -13.485 -8.293 1.00 0.00 O ATOM 714 CB HIS A 45 7.396 -13.600 -5.478 1.00 0.00 C ATOM 715 CG HIS A 45 6.809 -14.576 -4.487 1.00 0.00 C ATOM 716 ND1 HIS A 45 6.877 -15.948 -4.656 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.144 -14.365 -3.315 1.00 0.00 C ATOM 718 CE1 HIS A 45 6.276 -16.527 -3.626 1.00 0.00 C ATOM 719 NE2 HIS A 45 5.822 -15.544 -2.797 1.00 0.00 N ATOM 0 H HIS A 45 7.977 -12.162 -7.516 1.00 0.00 H new ATOM 0 HA HIS A 45 7.764 -15.039 -6.980 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.445 -13.435 -5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 45 6.889 -12.641 -5.372 1.00 0.00 H new ATOM 0 HD2 HIS A 45 5.918 -13.402 -2.882 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.165 -17.590 -3.471 1.00 0.00 H new ATOM 0 HE2 HIS A 45 5.318 -15.691 -1.923 1.00 0.00 H new ATOM 727 N HIS A 46 5.159 -15.165 -6.798 1.00 0.00 N ATOM 728 CA HIS A 46 3.773 -15.427 -7.146 1.00 0.00 C ATOM 729 C HIS A 46 2.963 -15.680 -5.873 1.00 0.00 C ATOM 730 O HIS A 46 3.081 -16.739 -5.258 1.00 0.00 O ATOM 731 CB HIS A 46 3.672 -16.576 -8.151 1.00 0.00 C ATOM 732 CG HIS A 46 4.590 -17.737 -7.851 1.00 0.00 C ATOM 733 ND1 HIS A 46 5.772 -17.955 -8.537 1.00 0.00 N ATOM 734 CD2 HIS A 46 4.488 -18.739 -6.931 1.00 0.00 C ATOM 735 CE1 HIS A 46 6.346 -19.043 -8.045 1.00 0.00 C ATOM 736 NE2 HIS A 46 5.548 -19.528 -7.051 1.00 0.00 N ATOM 0 H HIS A 46 5.535 -15.766 -6.064 1.00 0.00 H new ATOM 0 HA HIS A 46 3.347 -14.553 -7.638 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.643 -16.936 -8.174 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.898 -16.195 -9.147 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.681 -18.868 -6.225 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.282 -19.471 -8.373 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.735 -20.360 -6.492 1.00 0.00 H new ATOM 744 N PHE A 47 2.160 -14.689 -5.514 1.00 0.00 N ATOM 745 CA PHE A 47 1.331 -14.791 -4.325 1.00 0.00 C ATOM 746 C PHE A 47 -0.086 -14.281 -4.599 1.00 0.00 C ATOM 747 O PHE A 47 -0.267 -13.295 -5.310 1.00 0.00 O ATOM 748 CB PHE A 47 1.978 -13.913 -3.252 1.00 0.00 C ATOM 749 CG PHE A 47 1.978 -12.420 -3.587 1.00 0.00 C ATOM 750 CD1 PHE A 47 2.877 -11.924 -4.479 1.00 0.00 C ATOM 751 CD2 PHE A 47 1.080 -11.590 -2.993 1.00 0.00 C ATOM 752 CE1 PHE A 47 2.878 -10.538 -4.789 1.00 0.00 C ATOM 753 CE2 PHE A 47 1.081 -10.204 -3.303 1.00 0.00 C ATOM 754 CZ PHE A 47 1.980 -9.707 -4.195 1.00 0.00 C ATOM 0 H PHE A 47 2.066 -13.812 -6.026 1.00 0.00 H new ATOM 0 HA PHE A 47 1.259 -15.832 -4.010 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.453 -14.063 -2.309 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.006 -14.241 -3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.590 -12.584 -4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.366 -11.985 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.592 -10.144 -5.497 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.368 -9.545 -2.831 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.981 -8.653 -4.431 1.00 0.00 H new ATOM 764 N HIS A 48 -1.053 -14.977 -4.019 1.00 0.00 N ATOM 765 CA HIS A 48 -2.447 -14.607 -4.191 1.00 0.00 C ATOM 766 C HIS A 48 -2.834 -13.561 -3.144 1.00 0.00 C ATOM 767 O HIS A 48 -2.084 -13.315 -2.200 1.00 0.00 O ATOM 768 CB HIS A 48 -3.347 -15.844 -4.153 1.00 0.00 C ATOM 769 CG HIS A 48 -3.400 -16.604 -5.457 1.00 0.00 C ATOM 770 ND1 HIS A 48 -2.335 -17.346 -5.937 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.402 -16.730 -6.375 1.00 0.00 C ATOM 772 CE1 HIS A 48 -2.690 -17.889 -7.092 1.00 0.00 C ATOM 773 NE2 HIS A 48 -3.971 -17.505 -7.362 1.00 0.00 N ATOM 0 H HIS A 48 -0.898 -15.795 -3.430 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.588 -14.157 -5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.995 -16.513 -3.368 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.357 -15.538 -3.881 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.380 -16.276 -6.309 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.074 -18.524 -7.711 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.509 -17.770 -8.187 1.00 0.00 H new ATOM 781 N LEU A 49 -4.004 -12.972 -3.345 1.00 0.00 N ATOM 782 CA LEU A 49 -4.499 -11.959 -2.430 1.00 0.00 C ATOM 783 C LEU A 49 -5.961 -12.256 -2.088 1.00 0.00 C ATOM 784 O LEU A 49 -6.805 -12.341 -2.978 1.00 0.00 O ATOM 785 CB LEU A 49 -4.276 -10.560 -3.008 1.00 0.00 C ATOM 786 CG LEU A 49 -4.498 -9.392 -2.044 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.220 -9.072 -1.267 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.042 -8.167 -2.783 1.00 0.00 C ATOM 0 H LEU A 49 -4.623 -13.178 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.940 -11.986 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.255 -10.504 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.941 -10.431 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.252 -9.689 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.405 -8.239 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.915 -9.946 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.427 -8.803 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.191 -7.352 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.330 -7.858 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.993 -8.418 -3.253 1.00 0.00 H new ATOM 800 N GLN A 50 -6.214 -12.407 -0.796 1.00 0.00 N ATOM 801 CA GLN A 50 -7.559 -12.693 -0.326 1.00 0.00 C ATOM 802 C GLN A 50 -8.262 -11.400 0.091 1.00 0.00 C ATOM 803 O GLN A 50 -8.385 -11.112 1.280 1.00 0.00 O ATOM 804 CB GLN A 50 -7.534 -13.700 0.826 1.00 0.00 C ATOM 805 CG GLN A 50 -7.105 -15.084 0.335 1.00 0.00 C ATOM 806 CD GLN A 50 -8.228 -16.106 0.529 1.00 0.00 C ATOM 807 OE1 GLN A 50 -8.458 -16.615 1.614 1.00 0.00 O ATOM 808 NE2 GLN A 50 -8.911 -16.376 -0.580 1.00 0.00 N ATOM 0 H GLN A 50 -5.511 -12.337 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.122 -13.141 -1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.848 -13.356 1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.522 -13.762 1.281 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.834 -15.032 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.216 -15.407 0.877 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.665 -15.914 -1.455 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.680 -17.045 -0.555 1.00 0.00 H new ATOM 817 N SER A 51 -8.706 -10.656 -0.912 1.00 0.00 N ATOM 818 CA SER A 51 -9.393 -9.400 -0.664 1.00 0.00 C ATOM 819 C SER A 51 -10.894 -9.648 -0.502 1.00 0.00 C ATOM 820 O SER A 51 -11.398 -10.702 -0.888 1.00 0.00 O ATOM 821 CB SER A 51 -9.139 -8.401 -1.794 1.00 0.00 C ATOM 822 OG SER A 51 -8.663 -9.040 -2.975 1.00 0.00 O ATOM 0 H SER A 51 -8.603 -10.899 -1.897 1.00 0.00 H new ATOM 0 HA SER A 51 -9.000 -8.972 0.258 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.061 -7.865 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.411 -7.659 -1.465 1.00 0.00 H new ATOM 0 HG SER A 51 -9.393 -9.543 -3.392 1.00 0.00 H new ATOM 828 N PRO A 52 -11.585 -8.634 0.084 1.00 0.00 N ATOM 829 CA PRO A 52 -13.018 -8.732 0.302 1.00 0.00 C ATOM 830 C PRO A 52 -13.786 -8.544 -1.009 1.00 0.00 C ATOM 831 O PRO A 52 -14.993 -8.775 -1.064 1.00 0.00 O ATOM 832 CB PRO A 52 -13.334 -7.662 1.334 1.00 0.00 C ATOM 833 CG PRO A 52 -12.156 -6.701 1.311 1.00 0.00 C ATOM 834 CD PRO A 52 -11.022 -7.371 0.554 1.00 0.00 C ATOM 0 HA PRO A 52 -13.322 -9.715 0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.263 -7.147 1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.462 -8.100 2.324 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.437 -5.765 0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.844 -6.455 2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.683 -6.754 -0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.159 -7.538 1.199 1.00 0.00 H new ATOM 842 N PHE A 53 -13.054 -8.126 -2.031 1.00 0.00 N ATOM 843 CA PHE A 53 -13.651 -7.904 -3.337 1.00 0.00 C ATOM 844 C PHE A 53 -13.254 -9.011 -4.317 1.00 0.00 C ATOM 845 O PHE A 53 -13.079 -8.757 -5.508 1.00 0.00 O ATOM 846 CB PHE A 53 -13.115 -6.567 -3.852 1.00 0.00 C ATOM 847 CG PHE A 53 -14.197 -5.632 -4.398 1.00 0.00 C ATOM 848 CD1 PHE A 53 -15.250 -5.280 -3.614 1.00 0.00 C ATOM 849 CD2 PHE A 53 -14.105 -5.154 -5.668 1.00 0.00 C ATOM 850 CE1 PHE A 53 -16.254 -4.412 -4.120 1.00 0.00 C ATOM 851 CE2 PHE A 53 -15.108 -4.287 -6.175 1.00 0.00 C ATOM 852 CZ PHE A 53 -16.162 -3.934 -5.390 1.00 0.00 C ATOM 0 H PHE A 53 -12.053 -7.935 -1.981 1.00 0.00 H new ATOM 0 HA PHE A 53 -14.738 -7.902 -3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.588 -6.062 -3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.384 -6.758 -4.638 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.323 -5.660 -2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -13.268 -5.434 -6.291 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.090 -4.132 -3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -15.035 -3.908 -7.183 1.00 0.00 H new ATOM 0 HZ PHE A 53 -16.925 -3.274 -5.775 1.00 0.00 H new ATOM 862 N GLY A 54 -13.122 -10.214 -3.779 1.00 0.00 N ATOM 863 CA GLY A 54 -12.749 -11.360 -4.590 1.00 0.00 C ATOM 864 C GLY A 54 -11.232 -11.556 -4.598 1.00 0.00 C ATOM 865 O GLY A 54 -10.477 -10.592 -4.472 1.00 0.00 O ATOM 0 H GLY A 54 -13.267 -10.420 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.233 -12.257 -4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.106 -11.220 -5.610 1.00 0.00 H new ATOM 869 N PRO A 55 -10.819 -12.842 -4.751 1.00 0.00 N ATOM 870 CA PRO A 55 -9.405 -13.177 -4.776 1.00 0.00 C ATOM 871 C PRO A 55 -8.771 -12.778 -6.111 1.00 0.00 C ATOM 872 O PRO A 55 -9.384 -12.938 -7.165 1.00 0.00 O ATOM 873 CB PRO A 55 -9.350 -14.673 -4.516 1.00 0.00 C ATOM 874 CG PRO A 55 -10.744 -15.200 -4.816 1.00 0.00 C ATOM 875 CD PRO A 55 -11.684 -14.009 -4.903 1.00 0.00 C ATOM 0 HA PRO A 55 -8.831 -12.635 -4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.606 -15.153 -5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.068 -14.880 -3.484 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.748 -15.758 -5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.069 -15.886 -4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.211 -13.990 -5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.442 -14.045 -4.120 1.00 0.00 H new ATOM 883 N SER A 56 -7.552 -12.268 -6.021 1.00 0.00 N ATOM 884 CA SER A 56 -6.828 -11.845 -7.209 1.00 0.00 C ATOM 885 C SER A 56 -5.350 -12.217 -7.080 1.00 0.00 C ATOM 886 O SER A 56 -4.747 -12.024 -6.026 1.00 0.00 O ATOM 887 CB SER A 56 -6.980 -10.340 -7.439 1.00 0.00 C ATOM 888 OG SER A 56 -7.732 -10.053 -8.615 1.00 0.00 O ATOM 0 H SER A 56 -7.047 -12.138 -5.145 1.00 0.00 H new ATOM 0 HA SER A 56 -7.251 -12.361 -8.071 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.470 -9.889 -6.576 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.993 -9.884 -7.519 1.00 0.00 H new ATOM 0 HG SER A 56 -7.808 -9.082 -8.726 1.00 0.00 H new ATOM 894 N PRO A 57 -4.794 -12.757 -8.198 1.00 0.00 N ATOM 895 CA PRO A 57 -3.397 -13.157 -8.220 1.00 0.00 C ATOM 896 C PRO A 57 -2.479 -11.937 -8.311 1.00 0.00 C ATOM 897 O PRO A 57 -2.583 -11.145 -9.246 1.00 0.00 O ATOM 898 CB PRO A 57 -3.273 -14.084 -9.418 1.00 0.00 C ATOM 899 CG PRO A 57 -4.486 -13.804 -10.290 1.00 0.00 C ATOM 900 CD PRO A 57 -5.477 -13.000 -9.465 1.00 0.00 C ATOM 0 HA PRO A 57 -3.090 -13.665 -7.306 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.348 -13.896 -9.963 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.251 -15.127 -9.104 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.195 -13.251 -11.183 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.938 -14.737 -10.627 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.737 -12.065 -9.960 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.406 -13.550 -9.315 1.00 0.00 H new ATOM 908 N CYS A 58 -1.599 -11.823 -7.326 1.00 0.00 N ATOM 909 CA CYS A 58 -0.663 -10.713 -7.283 1.00 0.00 C ATOM 910 C CYS A 58 0.708 -11.224 -7.729 1.00 0.00 C ATOM 911 O CYS A 58 0.961 -12.427 -7.714 1.00 0.00 O ATOM 912 CB CYS A 58 -0.610 -10.072 -5.895 1.00 0.00 C ATOM 913 SG CYS A 58 -2.175 -9.188 -5.553 1.00 0.00 S ATOM 0 H CYS A 58 -1.515 -12.482 -6.552 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.995 -9.927 -7.961 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.443 -10.838 -5.138 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.229 -9.378 -5.838 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.119 -8.649 -4.371 1.00 0.00 H new ATOM 919 N GLN A 59 1.558 -10.283 -8.115 1.00 0.00 N ATOM 920 CA GLN A 59 2.897 -10.622 -8.564 1.00 0.00 C ATOM 921 C GLN A 59 3.859 -9.466 -8.287 1.00 0.00 C ATOM 922 O GLN A 59 3.538 -8.309 -8.554 1.00 0.00 O ATOM 923 CB GLN A 59 2.900 -10.994 -10.048 1.00 0.00 C ATOM 924 CG GLN A 59 4.257 -11.561 -10.469 1.00 0.00 C ATOM 925 CD GLN A 59 4.087 -12.854 -11.270 1.00 0.00 C ATOM 926 OE1 GLN A 59 3.560 -13.845 -10.793 1.00 0.00 O ATOM 927 NE2 GLN A 59 4.562 -12.788 -12.510 1.00 0.00 N ATOM 0 H GLN A 59 1.345 -9.286 -8.126 1.00 0.00 H new ATOM 0 HA GLN A 59 3.237 -11.493 -8.004 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.119 -11.728 -10.244 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.668 -10.114 -10.648 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.792 -10.825 -11.069 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.865 -11.754 -9.585 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.992 -11.926 -12.846 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.497 -13.599 -13.125 1.00 0.00 H new ATOM 936 N VAL A 60 5.021 -9.818 -7.756 1.00 0.00 N ATOM 937 CA VAL A 60 6.032 -8.824 -7.440 1.00 0.00 C ATOM 938 C VAL A 60 6.831 -8.496 -8.703 1.00 0.00 C ATOM 939 O VAL A 60 7.107 -9.380 -9.513 1.00 0.00 O ATOM 940 CB VAL A 60 6.909 -9.317 -6.288 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.909 -8.241 -5.860 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.054 -9.773 -5.104 1.00 0.00 C ATOM 0 H VAL A 60 5.285 -10.779 -7.537 1.00 0.00 H new ATOM 0 HA VAL A 60 5.565 -7.899 -7.102 1.00 0.00 H new ATOM 0 HB VAL A 60 7.475 -10.178 -6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.520 -8.618 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.551 -7.985 -6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.369 -7.352 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.702 -10.119 -4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.449 -8.939 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.401 -10.587 -5.419 1.00 0.00 H new ATOM 952 N THR A 61 7.181 -7.225 -8.830 1.00 0.00 N ATOM 953 CA THR A 61 7.943 -6.770 -9.981 1.00 0.00 C ATOM 954 C THR A 61 9.361 -6.380 -9.560 1.00 0.00 C ATOM 955 O THR A 61 10.302 -6.507 -10.343 1.00 0.00 O ATOM 956 CB THR A 61 7.168 -5.627 -10.639 1.00 0.00 C ATOM 957 OG1 THR A 61 7.246 -4.564 -9.693 1.00 0.00 O ATOM 958 CG2 THR A 61 5.671 -5.921 -10.748 1.00 0.00 C ATOM 0 H THR A 61 6.951 -6.496 -8.155 1.00 0.00 H new ATOM 0 HA THR A 61 8.063 -7.566 -10.716 1.00 0.00 H new ATOM 0 HB THR A 61 7.574 -5.439 -11.633 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.043 -4.023 -9.874 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.168 -5.078 -11.222 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.519 -6.818 -11.348 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.257 -6.077 -9.752 1.00 0.00 H new ATOM 966 N ASP A 62 9.470 -5.913 -8.325 1.00 0.00 N ATOM 967 CA ASP A 62 10.758 -5.503 -7.791 1.00 0.00 C ATOM 968 C ASP A 62 10.674 -5.436 -6.265 1.00 0.00 C ATOM 969 O ASP A 62 9.676 -4.974 -5.714 1.00 0.00 O ATOM 970 CB ASP A 62 11.152 -4.116 -8.305 1.00 0.00 C ATOM 971 CG ASP A 62 12.295 -4.104 -9.321 1.00 0.00 C ATOM 972 OD1 ASP A 62 12.590 -5.194 -9.857 1.00 0.00 O ATOM 973 OD2 ASP A 62 12.848 -3.004 -9.539 1.00 0.00 O ATOM 0 H ASP A 62 8.688 -5.809 -7.679 1.00 0.00 H new ATOM 0 HA ASP A 62 11.503 -6.231 -8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.277 -3.651 -8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.436 -3.497 -7.454 1.00 0.00 H new ATOM 978 N VAL A 63 11.736 -5.903 -5.625 1.00 0.00 N ATOM 979 CA VAL A 63 11.795 -5.901 -4.173 1.00 0.00 C ATOM 980 C VAL A 63 13.232 -6.177 -3.725 1.00 0.00 C ATOM 981 O VAL A 63 13.731 -7.291 -3.877 1.00 0.00 O ATOM 982 CB VAL A 63 10.790 -6.907 -3.607 1.00 0.00 C ATOM 983 CG1 VAL A 63 10.975 -8.285 -4.245 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.895 -6.988 -2.083 1.00 0.00 C ATOM 0 H VAL A 63 12.562 -6.285 -6.085 1.00 0.00 H new ATOM 0 HA VAL A 63 11.513 -4.924 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 63 9.788 -6.556 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.249 -8.981 -3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.825 -8.210 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.983 -8.647 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.170 -7.710 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.900 -7.304 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.689 -6.008 -1.652 1.00 0.00 H new ATOM 994 N GLU A 64 13.857 -5.142 -3.182 1.00 0.00 N ATOM 995 CA GLU A 64 15.226 -5.259 -2.710 1.00 0.00 C ATOM 996 C GLU A 64 15.501 -4.226 -1.615 1.00 0.00 C ATOM 997 O GLU A 64 15.655 -3.040 -1.901 1.00 0.00 O ATOM 998 CB GLU A 64 16.218 -5.109 -3.866 1.00 0.00 C ATOM 999 CG GLU A 64 17.650 -5.376 -3.397 1.00 0.00 C ATOM 1000 CD GLU A 64 18.184 -6.684 -3.983 1.00 0.00 C ATOM 1001 OE1 GLU A 64 18.096 -6.829 -5.222 1.00 0.00 O ATOM 1002 OE2 GLU A 64 18.670 -7.510 -3.180 1.00 0.00 O ATOM 0 H GLU A 64 13.440 -4.219 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 64 15.359 -6.254 -2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.958 -5.803 -4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.149 -4.104 -4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.294 -4.549 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.677 -5.423 -2.308 1.00 0.00 H new ATOM 1009 N ARG A 65 15.553 -4.715 -0.385 1.00 0.00 N ATOM 1010 CA ARG A 65 15.805 -3.849 0.754 1.00 0.00 C ATOM 1011 C ARG A 65 14.730 -2.765 0.846 1.00 0.00 C ATOM 1012 O ARG A 65 13.932 -2.598 -0.075 1.00 0.00 O ATOM 1013 CB ARG A 65 17.180 -3.186 0.648 1.00 0.00 C ATOM 1014 CG ARG A 65 18.148 -3.762 1.684 1.00 0.00 C ATOM 1015 CD ARG A 65 19.090 -4.785 1.045 1.00 0.00 C ATOM 1016 NE ARG A 65 20.385 -4.146 0.719 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.297 -3.787 1.633 1.00 0.00 C ATOM 1018 NH1 ARG A 65 21.062 -4.002 2.934 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.444 -3.213 1.245 1.00 0.00 N ATOM 0 H ARG A 65 15.425 -5.700 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 65 15.780 -4.467 1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.583 -3.335 -0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.081 -2.111 0.796 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.730 -2.956 2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.586 -4.234 2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.249 -5.621 1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.638 -5.192 0.141 1.00 0.00 H new ATOM 0 HE ARG A 65 20.596 -3.968 -0.263 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.189 -4.439 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.756 -3.729 3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.623 -3.049 0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.138 -2.940 1.940 1.00 0.00 H new ATOM 1033 N PRO A 66 14.743 -2.038 1.996 1.00 0.00 N ATOM 1034 CA PRO A 66 13.779 -0.975 2.220 1.00 0.00 C ATOM 1035 C PRO A 66 14.126 0.264 1.391 1.00 0.00 C ATOM 1036 O PRO A 66 14.536 1.286 1.939 1.00 0.00 O ATOM 1037 CB PRO A 66 13.817 -0.718 3.717 1.00 0.00 C ATOM 1038 CG PRO A 66 15.126 -1.315 4.209 1.00 0.00 C ATOM 1039 CD PRO A 66 15.673 -2.209 3.108 1.00 0.00 C ATOM 0 HA PRO A 66 12.772 -1.246 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.770 0.350 3.931 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.965 -1.181 4.215 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.839 -0.526 4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.965 -1.889 5.122 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.685 -1.917 2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.719 -3.250 3.429 1.00 0.00 H new ATOM 1047 N ILE A 67 13.948 0.132 0.085 1.00 0.00 N ATOM 1048 CA ILE A 67 14.237 1.228 -0.824 1.00 0.00 C ATOM 1049 C ILE A 67 13.260 1.180 -2.000 1.00 0.00 C ATOM 1050 O ILE A 67 12.682 2.200 -2.373 1.00 0.00 O ATOM 1051 CB ILE A 67 15.708 1.200 -1.245 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.121 -0.200 -1.703 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.608 1.727 -0.126 1.00 0.00 C ATOM 1054 CD1 ILE A 67 16.188 -0.281 -3.229 1.00 0.00 C ATOM 0 H ILE A 67 13.607 -0.717 -0.366 1.00 0.00 H new ATOM 0 HA ILE A 67 14.090 2.186 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 67 15.832 1.867 -2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 67 17.093 -0.453 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.408 -0.934 -1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.648 1.696 -0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.331 2.755 0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.487 1.106 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 67 16.484 -1.287 -3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.209 -0.051 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.919 0.437 -3.600 1.00 0.00 H new ATOM 1066 N LYS A 68 13.104 -0.015 -2.552 1.00 0.00 N ATOM 1067 CA LYS A 68 12.207 -0.208 -3.678 1.00 0.00 C ATOM 1068 C LYS A 68 11.350 -1.452 -3.434 1.00 0.00 C ATOM 1069 O LYS A 68 11.864 -2.494 -3.029 1.00 0.00 O ATOM 1070 CB LYS A 68 12.994 -0.251 -4.989 1.00 0.00 C ATOM 1071 CG LYS A 68 12.096 0.094 -6.179 1.00 0.00 C ATOM 1072 CD LYS A 68 11.586 -1.174 -6.867 1.00 0.00 C ATOM 1073 CE LYS A 68 10.227 -0.931 -7.526 1.00 0.00 C ATOM 1074 NZ LYS A 68 10.398 -0.256 -8.832 1.00 0.00 N ATOM 0 H LYS A 68 13.584 -0.859 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 68 11.525 0.637 -3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.826 0.451 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.422 -1.244 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.251 0.693 -5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.651 0.702 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.306 -1.499 -7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.502 -1.979 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.709 -1.880 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.604 -0.320 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.466 -0.098 -9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.873 0.658 -8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.975 -0.853 -9.458 1.00 0.00 H new ATOM 1088 N LEU A 69 10.059 -1.302 -3.690 1.00 0.00 N ATOM 1089 CA LEU A 69 9.126 -2.401 -3.503 1.00 0.00 C ATOM 1090 C LEU A 69 7.889 -2.166 -4.372 1.00 0.00 C ATOM 1091 O LEU A 69 7.228 -1.136 -4.253 1.00 0.00 O ATOM 1092 CB LEU A 69 8.809 -2.587 -2.018 1.00 0.00 C ATOM 1093 CG LEU A 69 7.999 -3.834 -1.657 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.874 -5.088 -1.702 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.308 -3.666 -0.303 1.00 0.00 C ATOM 0 H LEU A 69 9.637 -0.436 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 69 9.572 -3.340 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.749 -2.616 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.263 -1.710 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 69 7.216 -3.961 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.274 -5.960 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.279 -5.213 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.693 -4.986 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.739 -4.566 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.058 -3.501 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.633 -2.811 -0.342 1.00 0.00 H new ATOM 1107 N SER A 70 7.612 -3.140 -5.226 1.00 0.00 N ATOM 1108 CA SER A 70 6.465 -3.053 -6.115 1.00 0.00 C ATOM 1109 C SER A 70 5.789 -4.421 -6.232 1.00 0.00 C ATOM 1110 O SER A 70 6.452 -5.454 -6.152 1.00 0.00 O ATOM 1111 CB SER A 70 6.877 -2.544 -7.497 1.00 0.00 C ATOM 1112 OG SER A 70 5.753 -2.353 -8.352 1.00 0.00 O ATOM 0 H SER A 70 8.162 -3.994 -5.322 1.00 0.00 H new ATOM 0 HA SER A 70 5.757 -2.340 -5.692 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.416 -1.603 -7.391 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.565 -3.255 -7.955 1.00 0.00 H new ATOM 0 HG SER A 70 5.802 -2.982 -9.102 1.00 0.00 H new ATOM 1118 N PHE A 71 4.478 -4.383 -6.420 1.00 0.00 N ATOM 1119 CA PHE A 71 3.706 -5.607 -6.550 1.00 0.00 C ATOM 1120 C PHE A 71 2.405 -5.355 -7.316 1.00 0.00 C ATOM 1121 O PHE A 71 1.706 -4.377 -7.056 1.00 0.00 O ATOM 1122 CB PHE A 71 3.367 -6.074 -5.133 1.00 0.00 C ATOM 1123 CG PHE A 71 2.297 -5.230 -4.438 1.00 0.00 C ATOM 1124 CD1 PHE A 71 2.611 -3.998 -3.954 1.00 0.00 C ATOM 1125 CD2 PHE A 71 1.031 -5.710 -4.306 1.00 0.00 C ATOM 1126 CE1 PHE A 71 1.617 -3.214 -3.309 1.00 0.00 C ATOM 1127 CE2 PHE A 71 0.038 -4.926 -3.661 1.00 0.00 C ATOM 1128 CZ PHE A 71 0.352 -3.695 -3.176 1.00 0.00 C ATOM 0 H PHE A 71 3.931 -3.524 -6.485 1.00 0.00 H new ATOM 0 HA PHE A 71 4.281 -6.354 -7.098 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.028 -7.109 -5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.275 -6.059 -4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.616 -3.616 -4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.781 -6.687 -4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.866 -2.236 -2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.967 -5.308 -3.556 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.403 -3.099 -2.685 1.00 0.00 H new ATOM 1138 N THR A 72 2.120 -6.256 -8.245 1.00 0.00 N ATOM 1139 CA THR A 72 0.916 -6.144 -9.050 1.00 0.00 C ATOM 1140 C THR A 72 -0.272 -6.782 -8.326 1.00 0.00 C ATOM 1141 O THR A 72 -0.106 -7.757 -7.595 1.00 0.00 O ATOM 1142 CB THR A 72 1.201 -6.770 -10.417 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.455 -8.141 -10.125 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.512 -6.270 -11.028 1.00 0.00 C ATOM 0 H THR A 72 2.702 -7.066 -8.458 1.00 0.00 H new ATOM 0 HA THR A 72 0.640 -5.101 -9.205 1.00 0.00 H new ATOM 0 HB THR A 72 0.377 -6.550 -11.096 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.390 -8.250 -9.852 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.666 -6.745 -11.997 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.464 -5.189 -11.158 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.341 -6.520 -10.365 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.442 -6.205 -8.555 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.657 -6.705 -7.933 1.00 0.00 C ATOM 1154 C TRP A 73 -3.830 -6.383 -8.861 1.00 0.00 C ATOM 1155 O TRP A 73 -3.916 -5.280 -9.399 1.00 0.00 O ATOM 1156 CB TRP A 73 -2.831 -6.127 -6.527 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.194 -6.423 -5.897 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.915 -7.549 -5.983 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -4.973 -5.529 -5.076 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -6.099 -7.446 -5.281 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.135 -6.179 -4.711 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.706 -4.214 -4.655 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -7.121 -5.593 -3.908 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -5.702 -3.643 -3.853 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -6.876 -4.284 -3.477 1.00 0.00 C ATOM 0 H TRP A 73 -1.575 -5.396 -9.162 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.605 -7.786 -7.799 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.049 -6.527 -5.881 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.688 -5.047 -6.569 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.608 -8.427 -6.532 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -6.816 -8.167 -5.196 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -3.804 -3.686 -4.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -8.022 -6.122 -3.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.547 -2.633 -3.502 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -7.597 -3.774 -2.855 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.161 -1.767 -12.513 1.00 0.00 N ATOM 1222 CA TRP A 78 -3.979 -1.195 -11.190 1.00 0.00 C ATOM 1223 C TRP A 78 -2.682 -1.759 -10.606 1.00 0.00 C ATOM 1224 O TRP A 78 -2.527 -2.973 -10.486 1.00 0.00 O ATOM 1225 CB TRP A 78 -5.198 -1.463 -10.304 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.328 -0.446 -10.478 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.274 0.754 -11.072 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.692 -0.591 -10.028 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.498 1.391 -11.036 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.387 0.547 -10.382 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -8.317 -1.648 -9.344 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.744 0.737 -10.094 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -9.673 -1.443 -9.064 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -10.388 -0.303 -9.413 1.00 0.00 C ATOM 0 HA TRP A 78 -3.893 -0.110 -11.248 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.582 -2.459 -10.524 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.883 -1.466 -9.261 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.385 1.170 -11.522 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -7.711 2.312 -11.419 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -7.792 -2.547 -9.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.266 1.638 -10.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -10.201 -2.226 -8.540 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -11.435 -0.220 -9.160 1.00 0.00 H new ATOM 1245 N SER A 79 -1.783 -0.849 -10.259 1.00 0.00 N ATOM 1246 CA SER A 79 -0.504 -1.240 -9.691 1.00 0.00 C ATOM 1247 C SER A 79 -0.049 -0.203 -8.663 1.00 0.00 C ATOM 1248 O SER A 79 -0.136 1.000 -8.909 1.00 0.00 O ATOM 1249 CB SER A 79 0.556 -1.406 -10.782 1.00 0.00 C ATOM 1250 OG SER A 79 -0.020 -1.432 -12.086 1.00 0.00 O ATOM 0 H SER A 79 -1.915 0.157 -10.360 1.00 0.00 H new ATOM 0 HA SER A 79 -0.630 -2.203 -9.195 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.273 -0.587 -10.719 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.110 -2.329 -10.612 1.00 0.00 H new ATOM 0 HG SER A 79 0.689 -1.538 -12.755 1.00 0.00 H new ATOM 1256 N VAL A 80 0.426 -0.705 -7.533 1.00 0.00 N ATOM 1257 CA VAL A 80 0.895 0.163 -6.466 1.00 0.00 C ATOM 1258 C VAL A 80 2.383 -0.094 -6.222 1.00 0.00 C ATOM 1259 O VAL A 80 2.846 -1.229 -6.324 1.00 0.00 O ATOM 1260 CB VAL A 80 0.040 -0.038 -5.214 1.00 0.00 C ATOM 1261 CG1 VAL A 80 -0.399 -1.497 -5.078 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.784 0.429 -3.961 1.00 0.00 C ATOM 0 H VAL A 80 0.496 -1.703 -7.333 1.00 0.00 H new ATOM 0 HA VAL A 80 0.789 1.210 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.856 0.573 -5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.005 -1.612 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.985 -1.783 -5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.481 -2.136 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.154 0.275 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.705 -0.143 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.024 1.488 -4.054 1.00 0.00 H new ATOM 1272 N THR A 81 3.092 0.979 -5.904 1.00 0.00 N ATOM 1273 CA THR A 81 4.519 0.884 -5.644 1.00 0.00 C ATOM 1274 C THR A 81 4.857 1.509 -4.290 1.00 0.00 C ATOM 1275 O THR A 81 4.359 2.583 -3.956 1.00 0.00 O ATOM 1276 CB THR A 81 5.257 1.535 -6.816 1.00 0.00 C ATOM 1277 OG1 THR A 81 4.730 0.881 -7.966 1.00 0.00 O ATOM 1278 CG2 THR A 81 6.746 1.184 -6.837 1.00 0.00 C ATOM 0 H THR A 81 2.705 1.919 -5.820 1.00 0.00 H new ATOM 0 HA THR A 81 4.841 -0.155 -5.576 1.00 0.00 H new ATOM 0 HB THR A 81 5.140 2.617 -6.762 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.154 1.244 -8.772 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.223 1.671 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.214 1.527 -5.914 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.864 0.104 -6.924 1.00 0.00 H new ATOM 1286 N PHE A 82 5.702 0.810 -3.546 1.00 0.00 N ATOM 1287 CA PHE A 82 6.113 1.283 -2.235 1.00 0.00 C ATOM 1288 C PHE A 82 7.557 1.787 -2.262 1.00 0.00 C ATOM 1289 O PHE A 82 8.358 1.344 -3.084 1.00 0.00 O ATOM 1290 CB PHE A 82 6.019 0.092 -1.280 1.00 0.00 C ATOM 1291 CG PHE A 82 4.586 -0.285 -0.895 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.681 0.689 -0.608 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.219 -1.593 -0.839 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.352 0.339 -0.250 1.00 0.00 C ATOM 1295 CE2 PHE A 82 2.890 -1.942 -0.482 1.00 0.00 C ATOM 1296 CZ PHE A 82 1.984 -0.969 -0.195 1.00 0.00 C ATOM 0 H PHE A 82 6.113 -0.080 -3.826 1.00 0.00 H new ATOM 0 HA PHE A 82 5.474 2.108 -1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.499 -0.770 -1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.580 0.321 -0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.973 1.728 -0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.938 -2.366 -1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.633 1.112 -0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.598 -2.981 -0.438 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.973 -1.235 0.076 1.00 0.00 H new ATOM 1306 N HIS A 83 7.847 2.706 -1.353 1.00 0.00 N ATOM 1307 CA HIS A 83 9.181 3.275 -1.262 1.00 0.00 C ATOM 1308 C HIS A 83 9.501 3.602 0.198 1.00 0.00 C ATOM 1309 O HIS A 83 8.795 4.385 0.832 1.00 0.00 O ATOM 1310 CB HIS A 83 9.319 4.487 -2.184 1.00 0.00 C ATOM 1311 CG HIS A 83 9.289 4.146 -3.655 1.00 0.00 C ATOM 1312 ND1 HIS A 83 10.119 3.194 -4.221 1.00 0.00 N ATOM 1313 CD2 HIS A 83 8.521 4.639 -4.669 1.00 0.00 C ATOM 1314 CE1 HIS A 83 9.854 3.126 -5.517 1.00 0.00 C ATOM 1315 NE2 HIS A 83 8.864 4.022 -5.793 1.00 0.00 N ATOM 0 H HIS A 83 7.181 3.071 -0.673 1.00 0.00 H new ATOM 0 HA HIS A 83 9.915 2.546 -1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.514 5.189 -1.968 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.255 4.997 -1.959 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.763 5.402 -4.573 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.337 2.475 -6.230 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.454 4.190 -6.712 1.00 0.00 H new ATOM 1323 N LEU A 84 10.565 2.985 0.690 1.00 0.00 N ATOM 1324 CA LEU A 84 10.988 3.200 2.063 1.00 0.00 C ATOM 1325 C LEU A 84 12.382 3.831 2.071 1.00 0.00 C ATOM 1326 O LEU A 84 13.138 3.685 1.112 1.00 0.00 O ATOM 1327 CB LEU A 84 10.897 1.899 2.862 1.00 0.00 C ATOM 1328 CG LEU A 84 9.509 1.531 3.390 1.00 0.00 C ATOM 1329 CD1 LEU A 84 8.843 0.483 2.497 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.580 1.078 4.850 1.00 0.00 C ATOM 0 H LEU A 84 11.147 2.335 0.162 1.00 0.00 H new ATOM 0 HA LEU A 84 10.318 3.901 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.252 1.084 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.580 1.968 3.709 1.00 0.00 H new ATOM 0 HG LEU A 84 8.884 2.424 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.858 0.239 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.739 0.879 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.457 -0.417 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.580 0.822 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.227 0.204 4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.984 1.885 5.462 1.00 0.00 H new ATOM 1342 N LYS A 85 12.679 4.519 3.163 1.00 0.00 N ATOM 1343 CA LYS A 85 13.969 5.173 3.308 1.00 0.00 C ATOM 1344 C LYS A 85 14.109 5.703 4.737 1.00 0.00 C ATOM 1345 O LYS A 85 13.339 6.563 5.161 1.00 0.00 O ATOM 1346 CB LYS A 85 14.149 6.246 2.233 1.00 0.00 C ATOM 1347 CG LYS A 85 13.086 7.339 2.365 1.00 0.00 C ATOM 1348 CD LYS A 85 13.085 8.253 1.138 1.00 0.00 C ATOM 1349 CE LYS A 85 13.972 9.479 1.367 1.00 0.00 C ATOM 1350 NZ LYS A 85 15.239 9.349 0.614 1.00 0.00 N ATOM 0 H LYS A 85 12.049 4.638 3.956 1.00 0.00 H new ATOM 0 HA LYS A 85 14.778 4.460 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.142 6.687 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.086 5.790 1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.103 6.883 2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.275 7.929 3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.440 7.700 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.066 8.573 0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.446 10.380 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.184 9.589 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.829 10.189 0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.747 8.500 0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.032 9.267 -0.402 1.00 0.00 H new ATOM 1364 N GLU A 86 15.098 5.168 5.438 1.00 0.00 N ATOM 1365 CA GLU A 86 15.349 5.577 6.809 1.00 0.00 C ATOM 1366 C GLU A 86 15.679 7.070 6.866 1.00 0.00 C ATOM 1367 O GLU A 86 16.422 7.577 6.028 1.00 0.00 O ATOM 1368 CB GLU A 86 16.470 4.744 7.433 1.00 0.00 C ATOM 1369 CG GLU A 86 16.329 4.688 8.956 1.00 0.00 C ATOM 1370 CD GLU A 86 17.313 5.644 9.633 1.00 0.00 C ATOM 1371 OE1 GLU A 86 18.386 5.871 9.034 1.00 0.00 O ATOM 1372 OE2 GLU A 86 16.969 6.125 10.734 1.00 0.00 O ATOM 0 H GLU A 86 15.735 4.455 5.082 1.00 0.00 H new ATOM 0 HA GLU A 86 14.444 5.402 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.448 3.734 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.437 5.173 7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.309 4.948 9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.507 3.671 9.304 1.00 0.00 H new ATOM 1379 N GLU A 87 15.109 7.732 7.863 1.00 0.00 N ATOM 1380 CA GLU A 87 15.334 9.156 8.040 1.00 0.00 C ATOM 1381 C GLU A 87 16.160 9.411 9.302 1.00 0.00 C ATOM 1382 O GLU A 87 16.614 8.469 9.952 1.00 0.00 O ATOM 1383 CB GLU A 87 14.008 9.918 8.090 1.00 0.00 C ATOM 1384 CG GLU A 87 13.985 11.048 7.059 1.00 0.00 C ATOM 1385 CD GLU A 87 14.052 12.416 7.742 1.00 0.00 C ATOM 1386 OE1 GLU A 87 14.663 12.477 8.831 1.00 0.00 O ATOM 1387 OE2 GLU A 87 13.491 13.369 7.160 1.00 0.00 O ATOM 0 H GLU A 87 14.492 7.308 8.556 1.00 0.00 H new ATOM 0 HA GLU A 87 15.896 9.524 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.183 9.232 7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.858 10.329 9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.826 10.938 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.076 10.981 6.461 1.00 0.00 H new ATOM 1394 N GLU A 88 16.331 10.687 9.612 1.00 0.00 N ATOM 1395 CA GLU A 88 17.095 11.077 10.785 1.00 0.00 C ATOM 1396 C GLU A 88 16.806 10.126 11.947 1.00 0.00 C ATOM 1397 O GLU A 88 17.631 9.276 12.279 1.00 0.00 O ATOM 1398 CB GLU A 88 16.799 12.526 11.175 1.00 0.00 C ATOM 1399 CG GLU A 88 17.729 13.494 10.440 1.00 0.00 C ATOM 1400 CD GLU A 88 18.607 14.266 11.427 1.00 0.00 C ATOM 1401 OE1 GLU A 88 18.094 15.259 11.986 1.00 0.00 O ATOM 1402 OE2 GLU A 88 19.772 13.846 11.599 1.00 0.00 O ATOM 0 H GLU A 88 15.953 11.465 9.071 1.00 0.00 H new ATOM 0 HA GLU A 88 18.156 11.010 10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.762 12.765 10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.919 12.648 12.251 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.359 12.941 9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.138 14.194 9.849 1.00 0.00 H new ATOM 1409 N ASN A 89 15.631 10.300 12.534 1.00 0.00 N ATOM 1410 CA ASN A 89 15.222 9.467 13.652 1.00 0.00 C ATOM 1411 C ASN A 89 13.828 8.899 13.377 1.00 0.00 C ATOM 1412 O ASN A 89 12.923 9.043 14.198 1.00 0.00 O ATOM 1413 CB ASN A 89 15.155 10.278 14.948 1.00 0.00 C ATOM 1414 CG ASN A 89 15.541 9.419 16.153 1.00 0.00 C ATOM 1415 OD1 ASN A 89 14.711 8.800 16.798 1.00 0.00 O ATOM 1416 ND2 ASN A 89 16.844 9.417 16.420 1.00 0.00 N ATOM 0 H ASN A 89 14.949 11.006 12.256 1.00 0.00 H new ATOM 0 HA ASN A 89 15.956 8.669 13.764 1.00 0.00 H new ATOM 0 HB2 ASN A 89 15.824 11.136 14.879 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.147 10.670 15.084 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.203 8.874 17.206 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.484 9.958 15.839 1.00 0.00 H new ATOM 1423 N GLY A 90 13.699 8.267 12.220 1.00 0.00 N ATOM 1424 CA GLY A 90 12.431 7.677 11.827 1.00 0.00 C ATOM 1425 C GLY A 90 12.521 7.067 10.427 1.00 0.00 C ATOM 1426 O GLY A 90 13.539 7.203 9.751 1.00 0.00 O ATOM 0 H GLY A 90 14.452 8.151 11.542 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.145 6.908 12.545 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.650 8.437 11.847 1.00 0.00 H new ATOM 1430 N THR A 91 11.441 6.407 10.033 1.00 0.00 N ATOM 1431 CA THR A 91 11.385 5.775 8.726 1.00 0.00 C ATOM 1432 C THR A 91 10.391 6.508 7.822 1.00 0.00 C ATOM 1433 O THR A 91 9.335 6.942 8.279 1.00 0.00 O ATOM 1434 CB THR A 91 11.047 4.297 8.929 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.181 3.772 9.614 1.00 0.00 O ATOM 1436 CG2 THR A 91 11.012 3.518 7.613 1.00 0.00 C ATOM 0 H THR A 91 10.598 6.297 10.596 1.00 0.00 H new ATOM 0 HA THR A 91 12.346 5.835 8.216 1.00 0.00 H new ATOM 0 HB THR A 91 10.081 4.211 9.427 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.977 3.689 10.569 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.768 2.475 7.814 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.256 3.948 6.956 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.987 3.576 7.130 1.00 0.00 H new ATOM 1444 N ILE A 92 10.765 6.622 6.556 1.00 0.00 N ATOM 1445 CA ILE A 92 9.920 7.294 5.584 1.00 0.00 C ATOM 1446 C ILE A 92 9.168 6.247 4.758 1.00 0.00 C ATOM 1447 O ILE A 92 9.763 5.280 4.286 1.00 0.00 O ATOM 1448 CB ILE A 92 10.744 8.267 4.739 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.272 9.423 5.593 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.941 8.764 3.535 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.142 10.073 6.394 1.00 0.00 C ATOM 0 H ILE A 92 11.642 6.260 6.181 1.00 0.00 H new ATOM 0 HA ILE A 92 9.170 7.903 6.088 1.00 0.00 H new ATOM 0 HB ILE A 92 11.610 7.732 4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.040 9.056 6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.743 10.168 4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.550 9.454 2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.656 7.916 2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.044 9.277 3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.544 10.891 6.992 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.387 10.460 5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.689 9.331 7.052 1.00 0.00 H new ATOM 1463 N PHE A 93 7.872 6.477 4.609 1.00 0.00 N ATOM 1464 CA PHE A 93 7.033 5.567 3.849 1.00 0.00 C ATOM 1465 C PHE A 93 6.260 6.313 2.760 1.00 0.00 C ATOM 1466 O PHE A 93 5.417 7.157 3.060 1.00 0.00 O ATOM 1467 CB PHE A 93 6.037 4.949 4.832 1.00 0.00 C ATOM 1468 CG PHE A 93 5.267 3.753 4.269 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.398 3.928 3.238 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.452 2.514 4.800 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.683 2.818 2.715 1.00 0.00 C ATOM 1472 CE2 PHE A 93 4.737 1.404 4.277 1.00 0.00 C ATOM 1473 CZ PHE A 93 3.867 1.579 3.246 1.00 0.00 C ATOM 0 H PHE A 93 7.382 7.281 5.002 1.00 0.00 H new ATOM 0 HA PHE A 93 7.650 4.810 3.365 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.574 4.634 5.727 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.325 5.714 5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.251 4.912 2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.142 2.375 5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.993 2.957 1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.884 0.420 4.698 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.323 0.735 2.849 1.00 0.00 H new ATOM 1483 N THR A 94 6.574 5.975 1.518 1.00 0.00 N ATOM 1484 CA THR A 94 5.920 6.603 0.383 1.00 0.00 C ATOM 1485 C THR A 94 5.181 5.555 -0.453 1.00 0.00 C ATOM 1486 O THR A 94 5.710 4.475 -0.709 1.00 0.00 O ATOM 1487 CB THR A 94 6.979 7.374 -0.407 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.527 8.283 0.544 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.367 8.279 -1.478 1.00 0.00 C ATOM 0 H THR A 94 7.273 5.274 1.273 1.00 0.00 H new ATOM 0 HA THR A 94 5.158 7.311 0.708 1.00 0.00 H new ATOM 0 HB THR A 94 7.666 6.670 -0.876 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.224 8.823 0.116 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.162 8.803 -2.009 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.797 7.674 -2.183 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.706 9.006 -1.006 1.00 0.00 H new ATOM 1497 N ILE A 95 3.971 5.913 -0.856 1.00 0.00 N ATOM 1498 CA ILE A 95 3.155 5.017 -1.658 1.00 0.00 C ATOM 1499 C ILE A 95 2.892 5.658 -3.022 1.00 0.00 C ATOM 1500 O ILE A 95 2.776 6.878 -3.127 1.00 0.00 O ATOM 1501 CB ILE A 95 1.880 4.633 -0.903 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.858 3.992 -1.844 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.299 5.838 -0.161 1.00 0.00 C ATOM 1504 CD1 ILE A 95 -0.077 5.046 -2.439 1.00 0.00 C ATOM 0 H ILE A 95 3.536 6.811 -0.642 1.00 0.00 H new ATOM 0 HA ILE A 95 3.684 4.081 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 95 2.139 3.886 -0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.376 3.467 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.275 3.249 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.394 5.538 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.031 6.211 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.058 6.624 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.793 4.563 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.612 5.553 -1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.507 5.774 -3.002 1.00 0.00 H new ATOM 1516 N VAL A 96 2.805 4.806 -4.033 1.00 0.00 N ATOM 1517 CA VAL A 96 2.558 5.274 -5.387 1.00 0.00 C ATOM 1518 C VAL A 96 1.611 4.302 -6.093 1.00 0.00 C ATOM 1519 O VAL A 96 1.992 3.176 -6.408 1.00 0.00 O ATOM 1520 CB VAL A 96 3.884 5.460 -6.127 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.659 6.067 -7.512 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.855 6.311 -5.306 1.00 0.00 C ATOM 0 H VAL A 96 2.901 3.795 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 96 2.071 6.249 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 96 4.333 4.476 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.618 6.188 -8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.021 5.407 -8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.177 7.039 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.790 6.428 -5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.415 7.292 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.053 5.820 -4.353 1.00 0.00 H new ATOM 1532 N HIS A 97 0.393 4.773 -6.321 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.612 3.959 -6.984 1.00 0.00 C ATOM 1534 C HIS A 97 -1.205 4.735 -8.161 1.00 0.00 C ATOM 1535 O HIS A 97 -1.857 5.760 -7.968 1.00 0.00 O ATOM 1536 CB HIS A 97 -1.674 3.489 -5.988 1.00 0.00 C ATOM 1537 CG HIS A 97 -2.760 2.640 -6.604 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.087 3.031 -6.639 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.703 1.419 -7.208 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.788 2.080 -7.239 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -3.928 1.081 -7.591 1.00 0.00 N ATOM 0 H HIS A 97 0.080 5.708 -6.058 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.149 3.057 -7.384 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.188 2.920 -5.195 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.130 4.361 -5.520 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.811 0.827 -7.351 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.853 2.093 -7.418 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.184 0.217 -8.069 1.00 0.00 H new ATOM 1549 N SER A 98 -0.958 4.217 -9.355 1.00 0.00 N ATOM 1550 CA SER A 98 -1.459 4.848 -10.564 1.00 0.00 C ATOM 1551 C SER A 98 -2.390 3.889 -11.308 1.00 0.00 C ATOM 1552 O SER A 98 -2.543 2.734 -10.912 1.00 0.00 O ATOM 1553 CB SER A 98 -0.310 5.286 -11.474 1.00 0.00 C ATOM 1554 OG SER A 98 0.501 6.287 -10.866 1.00 0.00 O ATOM 0 H SER A 98 -0.417 3.367 -9.511 1.00 0.00 H new ATOM 0 HA SER A 98 -2.019 5.738 -10.278 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.306 4.422 -11.722 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.715 5.668 -12.411 1.00 0.00 H new ATOM 0 HG SER A 98 1.224 6.538 -11.478 1.00 0.00 H new ATOM 1889 N MET A 121 -10.738 5.423 -2.639 1.00 0.00 N ATOM 1890 CA MET A 121 -9.571 4.568 -2.511 1.00 0.00 C ATOM 1891 C MET A 121 -8.358 5.365 -2.024 1.00 0.00 C ATOM 1892 O MET A 121 -7.649 4.931 -1.118 1.00 0.00 O ATOM 1893 CB MET A 121 -9.253 3.930 -3.865 1.00 0.00 C ATOM 1894 CG MET A 121 -9.916 2.558 -3.993 1.00 0.00 C ATOM 1895 SD MET A 121 -8.800 1.285 -3.427 1.00 0.00 S ATOM 1896 CE MET A 121 -8.727 0.264 -4.890 1.00 0.00 C ATOM 0 HA MET A 121 -9.791 3.792 -1.777 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.598 4.581 -4.668 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.174 3.828 -3.979 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.835 2.533 -3.408 1.00 0.00 H new ATOM 0 HG3 MET A 121 -10.194 2.375 -5.031 1.00 0.00 H new ATOM 0 HE1 MET A 121 -8.067 -0.585 -4.709 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.726 -0.098 -5.131 1.00 0.00 H new ATOM 0 HE3 MET A 121 -8.343 0.851 -5.724 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.158 6.516 -2.649 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.044 7.378 -2.291 1.00 0.00 C ATOM 1908 C ASP A 122 -7.047 7.606 -0.778 1.00 0.00 C ATOM 1909 O ASP A 122 -6.041 7.370 -0.109 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.160 8.741 -2.975 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.117 9.773 -2.541 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -6.400 10.485 -1.553 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -5.061 9.827 -3.207 1.00 0.00 O ATOM 0 H ASP A 122 -8.748 6.872 -3.401 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.124 6.891 -2.613 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.081 8.598 -4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.153 9.146 -2.779 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.188 8.062 -0.282 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.334 8.325 1.139 1.00 0.00 C ATOM 1920 C ARG A 123 -8.063 7.052 1.945 1.00 0.00 C ATOM 1921 O ARG A 123 -7.318 7.080 2.923 1.00 0.00 O ATOM 1922 CB ARG A 123 -9.740 8.835 1.463 1.00 0.00 C ATOM 1923 CG ARG A 123 -9.683 10.205 2.141 1.00 0.00 C ATOM 1924 CD ARG A 123 -10.374 10.169 3.506 1.00 0.00 C ATOM 1925 NE ARG A 123 -10.257 11.489 4.167 1.00 0.00 N ATOM 1926 CZ ARG A 123 -10.982 12.564 3.830 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -11.880 12.483 2.838 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -10.809 13.721 4.484 1.00 0.00 N ATOM 0 H ARG A 123 -9.020 8.256 -0.839 1.00 0.00 H new ATOM 0 HA ARG A 123 -7.609 9.093 1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.326 8.903 0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.248 8.124 2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -8.644 10.512 2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -10.163 10.950 1.506 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -11.425 9.906 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -9.923 9.399 4.131 1.00 0.00 H new ATOM 0 HE ARG A 123 -9.583 11.586 4.926 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -12.011 11.603 2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -12.432 13.302 2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -10.125 13.783 5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -11.361 14.539 4.227 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.681 5.967 1.503 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.515 4.687 2.170 1.00 0.00 C ATOM 1944 C GLY A 124 -7.052 4.241 2.145 1.00 0.00 C ATOM 1945 O GLY A 124 -6.564 3.646 3.105 1.00 0.00 O ATOM 0 H GLY A 124 -9.298 5.948 0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.858 4.764 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.136 3.936 1.683 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.393 4.546 1.037 1.00 0.00 N ATOM 1950 CA TRP A 125 -4.995 4.184 0.875 1.00 0.00 C ATOM 1951 C TRP A 125 -4.182 4.958 1.915 1.00 0.00 C ATOM 1952 O TRP A 125 -3.421 4.367 2.679 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.526 4.437 -0.559 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.473 3.179 -1.428 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.243 2.870 -2.481 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.567 2.066 -1.275 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -4.901 1.644 -3.015 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.850 1.140 -2.258 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.543 1.848 -0.336 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -3.153 -0.067 -2.398 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -1.857 0.638 -0.489 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -2.129 -0.305 -1.474 1.00 0.00 C ATOM 0 H TRP A 125 -6.801 5.040 0.243 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.851 3.117 1.045 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.194 5.161 -1.026 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.535 4.889 -0.532 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.032 3.501 -2.863 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.339 1.191 -3.817 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.305 2.558 0.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.393 -0.776 -3.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -1.060 0.421 0.207 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.553 -1.217 -1.526 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.371 6.270 1.910 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.665 7.131 2.843 1.00 0.00 C ATOM 1975 C HIS A 126 -4.019 6.733 4.277 1.00 0.00 C ATOM 1976 O HIS A 126 -3.134 6.452 5.084 1.00 0.00 O ATOM 1977 CB HIS A 126 -3.953 8.604 2.548 1.00 0.00 C ATOM 1978 CG HIS A 126 -3.028 9.565 3.256 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -1.650 9.482 3.167 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -3.298 10.630 4.064 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -1.124 10.457 3.893 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -2.147 11.168 4.448 1.00 0.00 N ATOM 0 H HIS A 126 -5.003 6.757 1.275 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.590 7.000 2.722 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -3.879 8.770 1.473 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.981 8.827 2.835 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -4.282 10.977 4.344 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.070 10.654 4.023 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -2.044 11.979 5.058 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.315 6.722 4.551 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.798 6.363 5.874 1.00 0.00 C ATOM 1992 C ASP A 127 -5.205 5.012 6.279 1.00 0.00 C ATOM 1993 O ASP A 127 -4.861 4.804 7.441 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.322 6.235 5.888 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.082 7.560 5.978 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.530 8.565 5.480 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.197 7.537 6.541 1.00 0.00 O ATOM 0 H ASP A 127 -6.046 6.956 3.879 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.496 7.148 6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.636 5.714 4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.611 5.610 6.733 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.105 4.128 5.297 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.560 2.802 5.537 1.00 0.00 C ATOM 2004 C LEU A 128 -3.068 2.918 5.855 1.00 0.00 C ATOM 2005 O LEU A 128 -2.532 2.128 6.629 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.868 1.876 4.359 1.00 0.00 C ATOM 2007 CG LEU A 128 -4.131 0.535 4.350 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.511 -0.308 5.568 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -4.371 -0.214 3.037 1.00 0.00 C ATOM 0 H LEU A 128 -5.392 4.304 4.334 1.00 0.00 H new ATOM 0 HA LEU A 128 -5.036 2.345 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.940 1.679 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.631 2.404 3.435 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.061 0.733 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.973 -1.256 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.247 0.229 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.584 -0.499 5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.836 -1.164 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.438 -0.401 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -4.010 0.388 2.203 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.440 3.910 5.240 1.00 0.00 N ATOM 2022 CA VAL A 129 -1.021 4.140 5.448 1.00 0.00 C ATOM 2023 C VAL A 129 -0.831 5.398 6.298 1.00 0.00 C ATOM 2024 O VAL A 129 0.136 6.135 6.114 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.300 4.214 4.101 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.464 5.597 3.466 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.179 3.851 4.249 1.00 0.00 C ATOM 0 H VAL A 129 -2.888 4.563 4.598 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.576 3.309 5.995 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.759 3.483 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.058 5.622 2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.523 5.801 3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.044 6.354 4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.668 3.912 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.657 4.546 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.268 2.836 4.637 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.770 5.605 7.210 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.718 6.761 8.088 1.00 0.00 C ATOM 2039 C ASN A 130 -1.679 6.289 9.543 1.00 0.00 C ATOM 2040 O ASN A 130 -0.750 6.616 10.280 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.956 7.643 7.911 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.560 9.098 7.654 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -2.292 9.369 6.380 1.00 0.00 O flip ATOM 2044 ND2 ASN A 130 -2.501 9.920 8.554 1.00 0.00 N flip ATOM 0 H ASN A 130 -2.571 4.991 7.360 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.826 7.336 7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.555 7.273 7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.579 7.584 8.803 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -2.720 9.645 9.511 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -2.233 10.882 8.349 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.698 5.528 9.913 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.791 5.008 11.266 1.00 0.00 C ATOM 2053 C GLU A 131 -2.678 3.482 11.258 1.00 0.00 C ATOM 2054 O GLU A 131 -1.826 2.915 11.940 1.00 0.00 O ATOM 2055 CB GLU A 131 -4.090 5.458 11.939 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.413 6.912 11.589 1.00 0.00 C ATOM 2057 CD GLU A 131 -4.680 7.733 12.853 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -5.569 7.312 13.625 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -3.990 8.762 13.017 1.00 0.00 O ATOM 0 H GLU A 131 -3.467 5.259 9.299 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.961 5.411 11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -4.910 4.813 11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -4.000 5.352 13.020 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -3.583 7.350 11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.285 6.948 10.937 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.550 2.860 10.477 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.559 1.411 10.371 1.00 0.00 C ATOM 2068 C ARG A 132 -2.127 0.872 10.342 1.00 0.00 C ATOM 2069 O ARG A 132 -1.730 0.107 11.219 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.293 0.956 9.108 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.792 1.245 9.212 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.579 -0.037 9.495 1.00 0.00 C ATOM 2073 NE ARG A 132 -7.687 0.246 10.435 1.00 0.00 N ATOM 2074 CZ ARG A 132 -8.336 -0.693 11.136 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -7.992 -1.982 11.008 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -9.329 -0.344 11.965 1.00 0.00 N ATOM 0 H ARG A 132 -4.255 3.333 9.912 1.00 0.00 H new ATOM 0 HA ARG A 132 -4.081 1.018 11.243 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.880 1.467 8.239 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.134 -0.112 8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.972 1.969 10.006 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.145 1.695 8.284 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -6.975 -0.443 8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -5.918 -0.794 9.917 1.00 0.00 H new ATOM 0 HE ARG A 132 -7.974 1.217 10.557 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -7.236 -2.248 10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -8.486 -2.697 11.542 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -9.591 0.637 12.062 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -9.823 -1.059 12.499 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.391 1.293 9.324 1.00 0.00 N ATOM 2091 CA LEU A 133 -0.012 0.862 9.169 1.00 0.00 C ATOM 2092 C LEU A 133 0.809 1.355 10.362 1.00 0.00 C ATOM 2093 O LEU A 133 1.615 0.609 10.916 1.00 0.00 O ATOM 2094 CB LEU A 133 0.541 1.311 7.815 1.00 0.00 C ATOM 2095 CG LEU A 133 2.058 1.215 7.644 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.498 -0.240 7.464 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.539 2.105 6.497 1.00 0.00 C ATOM 0 H LEU A 133 -1.724 1.928 8.598 1.00 0.00 H new ATOM 0 HA LEU A 133 0.049 -0.226 9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.069 0.712 7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.241 2.346 7.648 1.00 0.00 H new ATOM 0 HG LEU A 133 2.528 1.584 8.556 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.581 -0.281 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.208 -0.819 8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.019 -0.658 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.621 2.018 6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.063 1.791 5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.277 3.142 6.706 1.00 0.00 H new ATOM 2109 N ARG A 134 0.575 2.608 10.723 1.00 0.00 N ATOM 2110 CA ARG A 134 1.282 3.209 11.841 1.00 0.00 C ATOM 2111 C ARG A 134 1.153 2.329 13.086 1.00 0.00 C ATOM 2112 O ARG A 134 2.097 2.210 13.867 1.00 0.00 O ATOM 2113 CB ARG A 134 0.737 4.604 12.152 1.00 0.00 C ATOM 2114 CG ARG A 134 1.661 5.352 13.115 1.00 0.00 C ATOM 2115 CD ARG A 134 0.922 5.729 14.402 1.00 0.00 C ATOM 2116 NE ARG A 134 0.297 7.062 14.254 1.00 0.00 N ATOM 2117 CZ ARG A 134 -0.452 7.649 15.198 1.00 0.00 C ATOM 2118 NH1 ARG A 134 -0.674 7.024 16.362 1.00 0.00 N ATOM 2119 NH2 ARG A 134 -0.979 8.861 14.977 1.00 0.00 N ATOM 0 H ARG A 134 -0.094 3.224 10.261 1.00 0.00 H new ATOM 0 HA ARG A 134 2.332 3.296 11.561 1.00 0.00 H new ATOM 0 HB2 ARG A 134 0.633 5.172 11.228 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -0.258 4.520 12.589 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.523 4.729 13.355 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.042 6.252 12.633 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.159 4.983 14.625 1.00 0.00 H new ATOM 0 HD3 ARG A 134 1.617 5.735 15.242 1.00 0.00 H new ATOM 0 HE ARG A 134 0.445 7.565 13.379 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -0.273 6.101 16.530 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -1.244 7.471 17.080 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -0.810 9.337 14.091 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -1.549 9.308 15.695 1.00 0.00 H new ATOM 2133 N GLN A 135 -0.022 1.735 13.232 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.286 0.870 14.369 1.00 0.00 C ATOM 2135 C GLN A 135 0.585 -0.386 14.295 1.00 0.00 C ATOM 2136 O GLN A 135 0.914 -0.979 15.320 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.770 0.505 14.447 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.317 0.731 15.858 1.00 0.00 C ATOM 2139 CD GLN A 135 -3.704 0.103 16.015 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -3.862 -0.998 16.517 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -4.696 0.862 15.559 1.00 0.00 N ATOM 0 H GLN A 135 -0.802 1.836 12.582 1.00 0.00 H new ATOM 0 HA GLN A 135 -0.030 1.412 15.280 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.334 1.106 13.734 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.907 -0.538 14.163 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.634 0.300 16.590 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.372 1.800 16.064 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -4.494 1.774 15.150 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -5.659 0.532 15.618 1.00 0.00 H new ATOM 2150 N ILE A 136 0.933 -0.753 13.070 1.00 0.00 N ATOM 2151 CA ILE A 136 1.759 -1.928 12.848 1.00 0.00 C ATOM 2152 C ILE A 136 3.145 -1.693 13.453 1.00 0.00 C ATOM 2153 O ILE A 136 3.853 -2.644 13.780 1.00 0.00 O ATOM 2154 CB ILE A 136 1.790 -2.288 11.361 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.373 -2.397 10.794 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.602 -3.562 11.123 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.463 -3.397 11.595 1.00 0.00 C ATOM 0 H ILE A 136 0.658 -0.258 12.222 1.00 0.00 H new ATOM 0 HA ILE A 136 1.333 -2.795 13.353 1.00 0.00 H new ATOM 0 HB ILE A 136 2.290 -1.482 10.824 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -0.107 -1.418 10.814 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.418 -2.709 9.751 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.608 -3.796 10.058 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.625 -3.411 11.467 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.152 -4.388 11.673 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.465 -3.455 11.171 1.00 0.00 H new ATOM 0 HD12 ILE A 136 0.006 -4.380 11.553 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.526 -3.069 12.633 1.00 0.00 H new ATOM 2169 N VAL A 137 3.491 -0.421 13.583 1.00 0.00 N ATOM 2170 CA VAL A 137 4.779 -0.049 14.143 1.00 0.00 C ATOM 2171 C VAL A 137 4.564 0.651 15.486 1.00 0.00 C ATOM 2172 O VAL A 137 5.510 0.843 16.248 1.00 0.00 O ATOM 2173 CB VAL A 137 5.557 0.807 13.141 1.00 0.00 C ATOM 2174 CG1 VAL A 137 5.957 -0.014 11.913 1.00 0.00 C ATOM 2175 CG2 VAL A 137 4.754 2.044 12.736 1.00 0.00 C ATOM 0 H VAL A 137 2.902 0.365 13.310 1.00 0.00 H new ATOM 0 HA VAL A 137 5.384 -0.936 14.332 1.00 0.00 H new ATOM 0 HB VAL A 137 6.471 1.147 13.629 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.509 0.618 11.217 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.586 -0.848 12.222 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.061 -0.397 11.424 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.330 2.635 12.024 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.816 1.734 12.276 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.543 2.646 13.620 1.00 0.00 H new ATOM 2185 N GLU A 138 3.314 1.012 15.735 1.00 0.00 N ATOM 2186 CA GLU A 138 2.962 1.686 16.974 1.00 0.00 C ATOM 2187 C GLU A 138 2.035 0.805 17.813 1.00 0.00 C ATOM 2188 O GLU A 138 1.349 1.296 18.708 1.00 0.00 O ATOM 2189 CB GLU A 138 2.321 3.047 16.694 1.00 0.00 C ATOM 2190 CG GLU A 138 3.380 4.085 16.319 1.00 0.00 C ATOM 2191 CD GLU A 138 3.407 5.232 17.331 1.00 0.00 C ATOM 2192 OE1 GLU A 138 2.375 5.931 17.424 1.00 0.00 O ATOM 2193 OE2 GLU A 138 4.459 5.383 17.990 1.00 0.00 O ATOM 0 H GLU A 138 2.532 0.851 15.100 1.00 0.00 H new ATOM 0 HA GLU A 138 3.876 1.861 17.542 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.597 2.952 15.885 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.773 3.383 17.574 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.360 3.610 16.276 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.172 4.478 15.324 1.00 0.00 H new