USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 618 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 43 THR OG1 : rot 32:sc= -0.988 USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= 0.0136 USER MOD Set 2.1: A 11 THR OG1 : rot -53:sc= 0.2 USER MOD Set 2.2: A 93 MET CE :methyl 167:sc= 0 (180deg=-0.0141) USER MOD Single : A 13 GLN : amide:sc= -4.58! C(o=-4.6!,f=-5!) USER MOD Single : A 14 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 18 GLN : amide:sc= 1.16 K(o=1.2,f=-0.025) USER MOD Single : A 20 ASN : amide:sc= -0.782 X(o=-0.78,f=-0.34) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.16) USER MOD Single : A 26 SER OG : rot 180:sc= -1.09 USER MOD Single : A 28 LYS NZ :NH3+ -148:sc= 0.515 (180deg=0.0607) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -158:sc= 2.34 (180deg=1.69) USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= 2.4 (180deg=2.16) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 64 SER OG : rot -150:sc= 0.216 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 73 THR OG1 : rot 180:sc=-0.00237 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 163:sc= -2.08 (180deg=-2.21) USER MOD Single : A 81 ASN : amide:sc= -0.235 X(o=-0.24,f=-0.7) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0481 USER MOD Single : A 86 CYS SG : rot 20:sc= -2.49! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 177:sc= 0 (180deg=-0.0278) USER MOD Single : A 90 LYS NZ :NH3+ 149:sc= 1.08 (180deg=0.289) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.033 1.907 -7.986 1.00 0.00 N ATOM 94 CA GLU A 9 4.704 1.377 -7.850 1.00 0.00 C ATOM 95 C GLU A 9 4.748 -0.156 -7.928 1.00 0.00 C ATOM 96 O GLU A 9 3.881 -0.837 -7.383 1.00 0.00 O ATOM 97 CB GLU A 9 3.788 1.977 -8.923 1.00 0.00 C ATOM 98 CG GLU A 9 2.298 1.675 -8.736 1.00 0.00 C ATOM 99 CD GLU A 9 1.447 2.132 -9.905 1.00 0.00 C ATOM 100 OE1 GLU A 9 1.392 3.352 -10.196 1.00 0.00 O ATOM 101 OE2 GLU A 9 0.806 1.272 -10.559 1.00 0.00 O ATOM 0 HA GLU A 9 4.295 1.651 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.927 3.058 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.101 1.604 -9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.166 0.602 -8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.946 2.161 -7.826 1.00 0.00 H new ATOM 108 N TRP A 10 5.818 -0.684 -8.538 1.00 0.00 N ATOM 109 CA TRP A 10 5.975 -2.126 -8.747 1.00 0.00 C ATOM 110 C TRP A 10 5.958 -2.926 -7.445 1.00 0.00 C ATOM 111 O TRP A 10 5.208 -3.890 -7.339 1.00 0.00 O ATOM 112 CB TRP A 10 7.247 -2.476 -9.563 1.00 0.00 C ATOM 113 CG TRP A 10 7.489 -3.971 -9.688 1.00 0.00 C ATOM 114 CD1 TRP A 10 6.972 -4.812 -10.621 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.299 -4.790 -8.817 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.398 -6.102 -10.382 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.210 -6.111 -9.277 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.079 -4.524 -7.692 1.00 0.00 C ATOM 119 CZ2 TRP A 10 8.873 -7.164 -8.646 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.732 -5.560 -7.070 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.625 -6.865 -7.542 1.00 0.00 C ATOM 0 H TRP A 10 6.593 -0.126 -8.897 1.00 0.00 H new ATOM 0 HA TRP A 10 5.102 -2.418 -9.330 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.161 -2.044 -10.560 1.00 0.00 H new ATOM 0 HB3 TRP A 10 8.113 -2.013 -9.089 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.323 -4.514 -11.431 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.149 -6.919 -10.939 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.168 -3.516 -7.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.796 -8.176 -9.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.339 -5.359 -6.200 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.146 -7.658 -7.027 1.00 0.00 H new ATOM 132 N THR A 11 6.776 -2.565 -6.468 1.00 0.00 N ATOM 133 CA THR A 11 6.841 -3.371 -5.255 1.00 0.00 C ATOM 134 C THR A 11 5.494 -3.390 -4.551 1.00 0.00 C ATOM 135 O THR A 11 5.038 -4.435 -4.086 1.00 0.00 O ATOM 136 CB THR A 11 7.929 -2.888 -4.294 1.00 0.00 C ATOM 137 OG1 THR A 11 9.137 -2.649 -5.034 1.00 0.00 O ATOM 138 CG2 THR A 11 8.207 -3.958 -3.242 1.00 0.00 C ATOM 0 H THR A 11 7.386 -1.748 -6.485 1.00 0.00 H new ATOM 0 HA THR A 11 7.101 -4.384 -5.562 1.00 0.00 H new ATOM 0 HB THR A 11 7.594 -1.973 -3.806 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.367 -3.448 -5.552 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.983 -3.607 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.296 -4.161 -2.680 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.542 -4.872 -3.732 1.00 0.00 H new ATOM 146 N LEU A 12 4.839 -2.256 -4.561 1.00 0.00 N ATOM 147 CA LEU A 12 3.554 -2.117 -3.942 1.00 0.00 C ATOM 148 C LEU A 12 2.517 -2.959 -4.671 1.00 0.00 C ATOM 149 O LEU A 12 1.811 -3.755 -4.051 1.00 0.00 O ATOM 150 CB LEU A 12 3.098 -0.671 -3.947 1.00 0.00 C ATOM 151 CG LEU A 12 3.726 0.298 -2.943 1.00 0.00 C ATOM 152 CD1 LEU A 12 5.206 0.524 -3.187 1.00 0.00 C ATOM 153 CD2 LEU A 12 2.967 1.598 -2.971 1.00 0.00 C ATOM 0 H LEU A 12 5.187 -1.404 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 12 3.650 -2.459 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.273 -0.272 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.020 -0.663 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 12 3.654 -0.151 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.595 1.220 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.737 -0.425 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.351 0.940 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.410 2.293 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.015 2.026 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.926 1.417 -2.703 1.00 0.00 H new ATOM 165 N GLN A 13 2.446 -2.793 -6.006 1.00 0.00 N ATOM 166 CA GLN A 13 1.480 -3.522 -6.814 1.00 0.00 C ATOM 167 C GLN A 13 1.670 -5.008 -6.673 1.00 0.00 C ATOM 168 O GLN A 13 0.736 -5.701 -6.453 1.00 0.00 O ATOM 169 CB GLN A 13 1.470 -3.102 -8.308 1.00 0.00 C ATOM 170 CG GLN A 13 2.756 -3.309 -9.051 1.00 0.00 C ATOM 171 CD GLN A 13 2.641 -3.071 -10.549 1.00 0.00 C ATOM 172 OE1 GLN A 13 3.575 -2.589 -11.178 1.00 0.00 O ATOM 173 NE2 GLN A 13 1.571 -3.514 -11.151 1.00 0.00 N ATOM 0 H GLN A 13 3.048 -2.161 -6.535 1.00 0.00 H new ATOM 0 HA GLN A 13 0.500 -3.252 -6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.684 -3.659 -8.818 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.203 -2.047 -8.368 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.513 -2.640 -8.643 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.105 -4.327 -8.879 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.806 -3.911 -10.605 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.500 -3.463 -12.167 1.00 0.00 H new ATOM 182 N THR A 14 2.905 -5.459 -6.702 1.00 0.00 N ATOM 183 CA THR A 14 3.221 -6.869 -6.603 1.00 0.00 C ATOM 184 C THR A 14 2.684 -7.479 -5.287 1.00 0.00 C ATOM 185 O THR A 14 2.203 -8.603 -5.271 1.00 0.00 O ATOM 186 CB THR A 14 4.736 -7.060 -6.747 1.00 0.00 C ATOM 187 OG1 THR A 14 5.138 -6.446 -7.980 1.00 0.00 O ATOM 188 CG2 THR A 14 5.120 -8.523 -6.792 1.00 0.00 C ATOM 0 H THR A 14 3.722 -4.856 -6.795 1.00 0.00 H new ATOM 0 HA THR A 14 2.724 -7.404 -7.413 1.00 0.00 H new ATOM 0 HB THR A 14 5.228 -6.611 -5.885 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.412 -5.520 -7.810 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.201 -8.612 -6.895 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.801 -9.011 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.634 -9.001 -7.643 1.00 0.00 H new ATOM 196 N LEU A 15 2.716 -6.711 -4.218 1.00 0.00 N ATOM 197 CA LEU A 15 2.177 -7.154 -2.940 1.00 0.00 C ATOM 198 C LEU A 15 0.648 -7.170 -3.001 1.00 0.00 C ATOM 199 O LEU A 15 0.000 -8.153 -2.634 1.00 0.00 O ATOM 200 CB LEU A 15 2.640 -6.206 -1.835 1.00 0.00 C ATOM 201 CG LEU A 15 4.151 -6.142 -1.603 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.505 -4.938 -0.750 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.634 -7.414 -0.922 1.00 0.00 C ATOM 0 H LEU A 15 3.111 -5.771 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 15 2.536 -8.161 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.285 -5.203 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.160 -6.503 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 15 4.644 -6.047 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.583 -4.907 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.185 -4.027 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.001 -5.014 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.711 -7.355 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.131 -7.526 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.407 -8.273 -1.553 1.00 0.00 H new ATOM 215 N LEU A 16 0.097 -6.110 -3.532 1.00 0.00 N ATOM 216 CA LEU A 16 -1.343 -5.925 -3.614 1.00 0.00 C ATOM 217 C LEU A 16 -1.989 -6.798 -4.708 1.00 0.00 C ATOM 218 O LEU A 16 -3.180 -7.024 -4.710 1.00 0.00 O ATOM 219 CB LEU A 16 -1.651 -4.445 -3.809 1.00 0.00 C ATOM 220 CG LEU A 16 -1.219 -3.526 -2.651 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.353 -2.070 -3.027 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.039 -3.807 -1.413 1.00 0.00 C ATOM 0 H LEU A 16 0.634 -5.338 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.786 -6.258 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.162 -4.106 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.724 -4.331 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.170 -3.735 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.040 -1.447 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.723 -1.858 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.392 -1.852 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.718 -3.147 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.093 -3.632 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.898 -4.845 -1.111 1.00 0.00 H new ATOM 234 N GLU A 17 -1.202 -7.261 -5.642 1.00 0.00 N ATOM 235 CA GLU A 17 -1.675 -8.181 -6.661 1.00 0.00 C ATOM 236 C GLU A 17 -1.690 -9.608 -6.101 1.00 0.00 C ATOM 237 O GLU A 17 -2.222 -10.543 -6.716 1.00 0.00 O ATOM 238 CB GLU A 17 -0.831 -8.074 -7.943 1.00 0.00 C ATOM 239 CG GLU A 17 -0.988 -6.731 -8.689 1.00 0.00 C ATOM 240 CD GLU A 17 -0.104 -6.636 -9.920 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.528 -7.050 -11.022 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.029 -6.149 -9.818 1.00 0.00 O ATOM 0 H GLU A 17 -0.215 -7.016 -5.725 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.695 -7.912 -6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.219 -8.215 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.107 -8.886 -8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.030 -6.604 -8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.747 -5.913 -8.010 1.00 0.00 H new ATOM 249 N GLN A 18 -1.108 -9.763 -4.929 1.00 0.00 N ATOM 250 CA GLN A 18 -1.145 -11.011 -4.198 1.00 0.00 C ATOM 251 C GLN A 18 -2.311 -10.984 -3.232 1.00 0.00 C ATOM 252 O GLN A 18 -3.170 -11.850 -3.266 1.00 0.00 O ATOM 253 CB GLN A 18 0.161 -11.246 -3.447 1.00 0.00 C ATOM 254 CG GLN A 18 1.323 -11.603 -4.340 1.00 0.00 C ATOM 255 CD GLN A 18 2.633 -11.610 -3.599 1.00 0.00 C ATOM 256 OE1 GLN A 18 3.041 -12.615 -3.029 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.317 -10.509 -3.638 1.00 0.00 N ATOM 0 H GLN A 18 -0.593 -9.021 -4.455 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.272 -11.832 -4.904 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.411 -10.347 -2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.013 -12.046 -2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.152 -12.586 -4.780 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.378 -10.891 -5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.943 -9.693 -4.123 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.229 -10.459 -3.184 1.00 0.00 H new ATOM 266 N LEU A 19 -2.364 -9.956 -2.414 1.00 0.00 N ATOM 267 CA LEU A 19 -3.434 -9.802 -1.444 1.00 0.00 C ATOM 268 C LEU A 19 -4.510 -8.909 -2.071 1.00 0.00 C ATOM 269 O LEU A 19 -4.253 -7.769 -2.375 1.00 0.00 O ATOM 270 CB LEU A 19 -2.871 -9.165 -0.138 1.00 0.00 C ATOM 271 CG LEU A 19 -2.561 -7.660 -0.184 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.655 -6.850 0.479 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.198 -7.311 0.337 1.00 0.00 C ATOM 0 H LEU A 19 -1.673 -9.206 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.866 -10.768 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.589 -9.341 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.956 -9.693 0.132 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.541 -7.386 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.404 -5.790 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.600 -7.024 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.750 -7.152 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.049 -6.233 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.113 -7.629 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.440 -7.817 -0.260 1.00 0.00 H new ATOM 285 N ASN A 20 -5.686 -9.424 -2.333 1.00 0.00 N ATOM 286 CA ASN A 20 -6.695 -8.573 -2.975 1.00 0.00 C ATOM 287 C ASN A 20 -8.109 -9.088 -2.869 1.00 0.00 C ATOM 288 O ASN A 20 -8.905 -8.479 -2.157 1.00 0.00 O ATOM 289 CB ASN A 20 -6.306 -8.204 -4.437 1.00 0.00 C ATOM 290 CG ASN A 20 -5.999 -9.405 -5.298 1.00 0.00 C ATOM 291 OD1 ASN A 20 -6.839 -9.898 -6.043 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.840 -9.950 -5.105 1.00 0.00 N ATOM 0 H ASN A 20 -5.974 -10.381 -2.129 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.695 -7.651 -2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.121 -7.640 -4.891 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.436 -7.548 -4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.600 -10.820 -5.581 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.167 -9.509 -4.477 1.00 0.00 H new ATOM 299 N GLU A 21 -8.376 -10.250 -3.468 1.00 0.00 N ATOM 300 CA GLU A 21 -9.723 -10.835 -3.628 1.00 0.00 C ATOM 301 C GLU A 21 -10.590 -10.671 -2.375 1.00 0.00 C ATOM 302 O GLU A 21 -11.670 -10.076 -2.420 1.00 0.00 O ATOM 303 CB GLU A 21 -9.589 -12.312 -3.962 1.00 0.00 C ATOM 304 CG GLU A 21 -10.876 -12.937 -4.416 1.00 0.00 C ATOM 305 CD GLU A 21 -11.266 -12.503 -5.803 1.00 0.00 C ATOM 306 OE1 GLU A 21 -11.868 -11.430 -5.959 1.00 0.00 O ATOM 307 OE2 GLU A 21 -10.988 -13.242 -6.763 1.00 0.00 O ATOM 0 H GLU A 21 -7.643 -10.834 -3.870 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.220 -10.299 -4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.838 -12.434 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.225 -12.844 -3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.778 -14.022 -4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.671 -12.673 -3.719 1.00 0.00 H new ATOM 314 N ASP A 22 -10.114 -11.182 -1.275 1.00 0.00 N ATOM 315 CA ASP A 22 -10.839 -11.076 -0.016 1.00 0.00 C ATOM 316 C ASP A 22 -9.903 -10.525 1.042 1.00 0.00 C ATOM 317 O ASP A 22 -10.242 -10.385 2.197 1.00 0.00 O ATOM 318 CB ASP A 22 -11.363 -12.470 0.347 1.00 0.00 C ATOM 319 CG ASP A 22 -12.278 -12.533 1.547 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.431 -12.054 1.451 1.00 0.00 O ATOM 321 OD2 ASP A 22 -11.907 -13.143 2.568 1.00 0.00 O ATOM 0 H ASP A 22 -9.226 -11.680 -1.213 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.688 -10.397 -0.093 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.895 -12.874 -0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.509 -13.123 0.529 1.00 0.00 H new ATOM 326 N GLU A 23 -8.745 -10.137 0.590 1.00 0.00 N ATOM 327 CA GLU A 23 -7.671 -9.672 1.458 1.00 0.00 C ATOM 328 C GLU A 23 -7.668 -8.164 1.552 1.00 0.00 C ATOM 329 O GLU A 23 -7.411 -7.586 2.608 1.00 0.00 O ATOM 330 CB GLU A 23 -6.365 -10.111 0.858 1.00 0.00 C ATOM 331 CG GLU A 23 -6.307 -11.583 0.593 1.00 0.00 C ATOM 332 CD GLU A 23 -6.201 -12.392 1.855 1.00 0.00 C ATOM 333 OE1 GLU A 23 -5.079 -12.559 2.362 1.00 0.00 O ATOM 334 OE2 GLU A 23 -7.235 -12.877 2.363 1.00 0.00 O ATOM 0 H GLU A 23 -8.505 -10.130 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.814 -10.086 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.202 -9.573 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.552 -9.836 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.200 -11.886 0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.452 -11.800 -0.047 1.00 0.00 H new ATOM 341 N LEU A 24 -8.005 -7.519 0.444 1.00 0.00 N ATOM 342 CA LEU A 24 -7.947 -6.065 0.343 1.00 0.00 C ATOM 343 C LEU A 24 -8.994 -5.442 1.248 1.00 0.00 C ATOM 344 O LEU A 24 -8.916 -4.269 1.601 1.00 0.00 O ATOM 345 CB LEU A 24 -8.184 -5.638 -1.099 1.00 0.00 C ATOM 346 CG LEU A 24 -7.358 -4.463 -1.606 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.875 -4.795 -1.552 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.751 -4.130 -3.020 1.00 0.00 C ATOM 0 H LEU A 24 -8.324 -7.984 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.960 -5.724 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.990 -6.495 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.239 -5.387 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.550 -3.602 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.298 -3.945 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.588 -5.013 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.674 -5.665 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.156 -3.289 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.575 -4.995 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.808 -3.865 -3.051 1.00 0.00 H new ATOM 360 N LYS A 25 -9.957 -6.260 1.626 1.00 0.00 N ATOM 361 CA LYS A 25 -11.028 -5.880 2.512 1.00 0.00 C ATOM 362 C LYS A 25 -10.486 -5.458 3.879 1.00 0.00 C ATOM 363 O LYS A 25 -11.012 -4.529 4.500 1.00 0.00 O ATOM 364 CB LYS A 25 -11.978 -7.050 2.644 1.00 0.00 C ATOM 365 CG LYS A 25 -12.611 -7.442 1.327 1.00 0.00 C ATOM 366 CD LYS A 25 -13.381 -8.725 1.458 1.00 0.00 C ATOM 367 CE LYS A 25 -14.154 -9.034 0.193 1.00 0.00 C ATOM 368 NZ LYS A 25 -15.002 -10.219 0.357 1.00 0.00 N ATOM 0 H LYS A 25 -10.013 -7.230 1.315 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.558 -5.021 2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.439 -7.905 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.762 -6.797 3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.277 -6.648 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.837 -7.554 0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.694 -9.543 1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.070 -8.654 2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.772 -8.177 -0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.458 -9.195 -0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.555 -10.373 -0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.405 -11.051 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.648 -10.075 1.159 1.00 0.00 H new ATOM 382 N SER A 26 -9.427 -6.113 4.330 1.00 0.00 N ATOM 383 CA SER A 26 -8.816 -5.748 5.586 1.00 0.00 C ATOM 384 C SER A 26 -7.988 -4.492 5.356 1.00 0.00 C ATOM 385 O SER A 26 -8.160 -3.487 6.049 1.00 0.00 O ATOM 386 CB SER A 26 -7.907 -6.879 6.102 1.00 0.00 C ATOM 387 OG SER A 26 -7.553 -6.693 7.451 1.00 0.00 O ATOM 0 H SER A 26 -8.981 -6.892 3.846 1.00 0.00 H new ATOM 0 HA SER A 26 -9.590 -5.572 6.333 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.418 -7.835 5.989 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.004 -6.926 5.493 1.00 0.00 H new ATOM 0 HG SER A 26 -6.978 -7.431 7.743 1.00 0.00 H new ATOM 393 N PHE A 27 -7.153 -4.544 4.305 1.00 0.00 N ATOM 394 CA PHE A 27 -6.197 -3.489 3.952 1.00 0.00 C ATOM 395 C PHE A 27 -6.864 -2.109 3.927 1.00 0.00 C ATOM 396 O PHE A 27 -6.415 -1.187 4.615 1.00 0.00 O ATOM 397 CB PHE A 27 -5.561 -3.802 2.578 1.00 0.00 C ATOM 398 CG PHE A 27 -4.379 -2.919 2.198 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.562 -1.599 1.797 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.089 -3.416 2.244 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.488 -0.803 1.456 1.00 0.00 C ATOM 402 CE2 PHE A 27 -2.008 -2.620 1.902 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.210 -1.313 1.511 1.00 0.00 C ATOM 0 H PHE A 27 -7.126 -5.338 3.666 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.420 -3.464 4.716 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.234 -4.842 2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.328 -3.707 1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.561 -1.191 1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.922 -4.438 2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.649 0.219 1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.007 -3.023 1.942 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.367 -0.691 1.248 1.00 0.00 H new ATOM 413 N LYS A 28 -7.960 -1.997 3.175 1.00 0.00 N ATOM 414 CA LYS A 28 -8.676 -0.723 3.014 1.00 0.00 C ATOM 415 C LYS A 28 -9.177 -0.183 4.359 1.00 0.00 C ATOM 416 O LYS A 28 -9.199 1.019 4.586 1.00 0.00 O ATOM 417 CB LYS A 28 -9.871 -0.880 2.043 1.00 0.00 C ATOM 418 CG LYS A 28 -9.496 -1.342 0.635 1.00 0.00 C ATOM 419 CD LYS A 28 -10.733 -1.529 -0.250 1.00 0.00 C ATOM 420 CE LYS A 28 -10.352 -2.091 -1.616 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.517 -2.268 -2.524 1.00 0.00 N ATOM 0 H LYS A 28 -8.376 -2.776 2.664 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.966 -0.008 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.576 -1.594 2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.390 0.076 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.829 -0.611 0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.946 -2.281 0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.436 -2.202 0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.242 -0.573 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.630 -1.424 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.856 -3.052 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.350 -3.083 -3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.375 -2.434 -1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.642 -1.411 -3.100 1.00 0.00 H new ATOM 435 N SER A 29 -9.515 -1.077 5.255 1.00 0.00 N ATOM 436 CA SER A 29 -10.090 -0.699 6.519 1.00 0.00 C ATOM 437 C SER A 29 -8.988 -0.330 7.514 1.00 0.00 C ATOM 438 O SER A 29 -9.099 0.642 8.224 1.00 0.00 O ATOM 439 CB SER A 29 -10.935 -1.855 7.055 1.00 0.00 C ATOM 440 OG SER A 29 -11.818 -1.441 8.091 1.00 0.00 O ATOM 0 H SER A 29 -9.399 -2.082 5.128 1.00 0.00 H new ATOM 0 HA SER A 29 -10.727 0.175 6.381 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.513 -2.289 6.239 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.278 -2.639 7.432 1.00 0.00 H new ATOM 0 HG SER A 29 -12.340 -2.210 8.403 1.00 0.00 H new ATOM 446 N LEU A 30 -7.915 -1.101 7.522 1.00 0.00 N ATOM 447 CA LEU A 30 -6.777 -0.884 8.428 1.00 0.00 C ATOM 448 C LEU A 30 -6.114 0.451 8.142 1.00 0.00 C ATOM 449 O LEU A 30 -5.655 1.156 9.048 1.00 0.00 O ATOM 450 CB LEU A 30 -5.798 -2.021 8.234 1.00 0.00 C ATOM 451 CG LEU A 30 -6.363 -3.398 8.562 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.486 -4.467 8.001 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.527 -3.577 10.067 1.00 0.00 C ATOM 0 H LEU A 30 -7.798 -1.902 6.901 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.121 -0.862 9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.457 -2.018 7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.923 -1.842 8.859 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.348 -3.479 8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.903 -5.444 8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.426 -4.357 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.488 -4.382 8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.932 -4.568 10.274 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.557 -3.472 10.554 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.209 -2.819 10.451 1.00 0.00 H new ATOM 465 N LEU A 31 -6.102 0.783 6.882 1.00 0.00 N ATOM 466 CA LEU A 31 -5.603 2.044 6.370 1.00 0.00 C ATOM 467 C LEU A 31 -6.543 3.186 6.758 1.00 0.00 C ATOM 468 O LEU A 31 -6.114 4.291 6.985 1.00 0.00 O ATOM 469 CB LEU A 31 -5.466 1.898 4.841 1.00 0.00 C ATOM 470 CG LEU A 31 -5.603 3.149 3.950 1.00 0.00 C ATOM 471 CD1 LEU A 31 -4.382 4.046 4.003 1.00 0.00 C ATOM 472 CD2 LEU A 31 -5.951 2.758 2.524 1.00 0.00 C ATOM 0 H LEU A 31 -6.451 0.165 6.150 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.631 2.287 6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.490 1.457 4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.215 1.177 4.512 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.426 3.739 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.537 4.910 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.223 4.383 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.508 3.491 3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.043 3.656 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.164 2.122 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.896 2.215 2.516 1.00 0.00 H new ATOM 484 N TRP A 32 -7.805 2.900 6.887 1.00 0.00 N ATOM 485 CA TRP A 32 -8.742 3.935 7.228 1.00 0.00 C ATOM 486 C TRP A 32 -8.893 4.036 8.744 1.00 0.00 C ATOM 487 O TRP A 32 -9.490 4.976 9.270 1.00 0.00 O ATOM 488 CB TRP A 32 -10.084 3.659 6.577 1.00 0.00 C ATOM 489 CG TRP A 32 -10.644 4.884 5.963 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.684 5.649 6.395 1.00 0.00 C ATOM 491 CD2 TRP A 32 -10.136 5.504 4.802 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.856 6.710 5.536 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.910 6.637 4.548 1.00 0.00 C ATOM 494 CE3 TRP A 32 -9.093 5.185 3.950 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.668 7.472 3.460 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.841 6.005 2.867 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.627 7.141 2.631 1.00 0.00 C ATOM 0 H TRP A 32 -8.208 1.971 6.764 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.364 4.887 6.856 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.970 2.887 5.816 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.779 3.272 7.322 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.280 5.454 7.274 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.571 7.433 5.621 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.486 4.310 4.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.276 8.346 3.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.029 5.768 2.195 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.409 7.768 1.779 1.00 0.00 H new ATOM 508 N ALA A 33 -8.335 3.065 9.431 1.00 0.00 N ATOM 509 CA ALA A 33 -8.441 2.970 10.863 1.00 0.00 C ATOM 510 C ALA A 33 -7.325 3.708 11.576 1.00 0.00 C ATOM 511 O ALA A 33 -7.455 4.030 12.763 1.00 0.00 O ATOM 512 CB ALA A 33 -8.473 1.513 11.298 1.00 0.00 C ATOM 0 H ALA A 33 -7.791 2.315 9.005 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.377 3.451 11.146 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.553 1.459 12.384 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.332 1.017 10.846 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.557 1.017 10.977 1.00 0.00 H new ATOM 518 N PHE A 34 -6.218 3.960 10.897 1.00 0.00 N ATOM 519 CA PHE A 34 -5.139 4.674 11.526 1.00 0.00 C ATOM 520 C PHE A 34 -5.458 6.173 11.470 1.00 0.00 C ATOM 521 O PHE A 34 -6.296 6.581 10.661 1.00 0.00 O ATOM 522 CB PHE A 34 -3.749 4.317 10.889 1.00 0.00 C ATOM 523 CG PHE A 34 -3.437 4.861 9.517 1.00 0.00 C ATOM 524 CD1 PHE A 34 -3.189 6.217 9.308 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.372 4.009 8.443 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.902 6.694 8.057 1.00 0.00 C ATOM 527 CE2 PHE A 34 -3.084 4.485 7.188 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.855 5.829 6.992 1.00 0.00 C ATOM 0 H PHE A 34 -6.052 3.684 9.929 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.053 4.373 12.570 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.971 4.663 11.570 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.672 3.231 10.843 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.224 6.900 10.144 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.549 2.953 8.587 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.713 7.747 7.909 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.037 3.803 6.352 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.639 6.202 6.002 1.00 0.00 H new ATOM 672 N THR A 43 -8.051 11.219 0.836 1.00 0.00 N ATOM 673 CA THR A 43 -7.722 10.162 -0.087 1.00 0.00 C ATOM 674 C THR A 43 -9.005 9.595 -0.687 1.00 0.00 C ATOM 675 O THR A 43 -9.901 9.156 0.043 1.00 0.00 O ATOM 676 CB THR A 43 -6.861 9.051 0.583 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.585 9.597 0.933 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.644 7.849 -0.329 1.00 0.00 C ATOM 0 HA THR A 43 -7.111 10.578 -0.888 1.00 0.00 H new ATOM 0 HB THR A 43 -7.402 8.706 1.465 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.685 10.547 1.152 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.038 7.105 0.188 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.608 7.413 -0.592 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.131 8.168 -1.236 1.00 0.00 H new ATOM 686 N PRO A 44 -9.132 9.702 -2.010 1.00 0.00 N ATOM 687 CA PRO A 44 -10.323 9.292 -2.745 1.00 0.00 C ATOM 688 C PRO A 44 -10.734 7.828 -2.504 1.00 0.00 C ATOM 689 O PRO A 44 -10.174 6.901 -3.094 1.00 0.00 O ATOM 690 CB PRO A 44 -9.963 9.543 -4.225 1.00 0.00 C ATOM 691 CG PRO A 44 -8.476 9.719 -4.237 1.00 0.00 C ATOM 692 CD PRO A 44 -8.120 10.298 -2.903 1.00 0.00 C ATOM 0 HA PRO A 44 -11.194 9.856 -2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.266 8.705 -4.853 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.469 10.429 -4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.971 8.766 -4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.168 10.382 -5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.107 10.030 -2.603 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.174 11.387 -2.907 1.00 0.00 H new ATOM 700 N TRP A 45 -11.710 7.634 -1.624 1.00 0.00 N ATOM 701 CA TRP A 45 -12.212 6.311 -1.295 1.00 0.00 C ATOM 702 C TRP A 45 -12.944 5.724 -2.492 1.00 0.00 C ATOM 703 O TRP A 45 -12.912 4.531 -2.697 1.00 0.00 O ATOM 704 CB TRP A 45 -13.132 6.350 -0.044 1.00 0.00 C ATOM 705 CG TRP A 45 -13.757 5.009 0.329 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.846 4.426 -0.258 1.00 0.00 C ATOM 707 CD2 TRP A 45 -13.338 4.094 1.366 1.00 0.00 C ATOM 708 NE1 TRP A 45 -15.124 3.227 0.334 1.00 0.00 N ATOM 709 CE2 TRP A 45 -14.223 2.996 1.332 1.00 0.00 C ATOM 710 CE3 TRP A 45 -12.309 4.089 2.312 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -14.110 1.914 2.202 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -12.201 3.009 3.179 1.00 0.00 C ATOM 713 CH2 TRP A 45 -13.094 1.939 3.116 1.00 0.00 C ATOM 0 H TRP A 45 -12.173 8.391 -1.121 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.364 5.671 -1.053 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.553 6.714 0.805 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.930 7.071 -0.219 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.408 4.854 -1.075 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.886 2.602 0.071 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.610 4.910 2.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.801 1.085 2.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -11.411 2.997 3.915 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.980 1.114 3.803 1.00 0.00 H new ATOM 724 N SER A 46 -13.569 6.570 -3.297 1.00 0.00 N ATOM 725 CA SER A 46 -14.267 6.105 -4.485 1.00 0.00 C ATOM 726 C SER A 46 -13.283 5.367 -5.403 1.00 0.00 C ATOM 727 O SER A 46 -13.631 4.362 -6.036 1.00 0.00 O ATOM 728 CB SER A 46 -14.916 7.275 -5.203 1.00 0.00 C ATOM 729 OG SER A 46 -15.711 8.033 -4.295 1.00 0.00 O ATOM 0 H SER A 46 -13.607 7.579 -3.150 1.00 0.00 H new ATOM 0 HA SER A 46 -15.057 5.411 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.148 7.911 -5.643 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.536 6.910 -6.022 1.00 0.00 H new ATOM 0 HG SER A 46 -16.122 8.785 -4.770 1.00 0.00 H new ATOM 735 N GLU A 47 -12.044 5.848 -5.406 1.00 0.00 N ATOM 736 CA GLU A 47 -10.969 5.201 -6.100 1.00 0.00 C ATOM 737 C GLU A 47 -10.600 3.906 -5.421 1.00 0.00 C ATOM 738 O GLU A 47 -10.606 2.862 -6.060 1.00 0.00 O ATOM 739 CB GLU A 47 -9.749 6.113 -6.195 1.00 0.00 C ATOM 740 CG GLU A 47 -9.750 7.018 -7.398 1.00 0.00 C ATOM 741 CD GLU A 47 -9.461 6.245 -8.667 1.00 0.00 C ATOM 742 OE1 GLU A 47 -10.355 5.585 -9.201 1.00 0.00 O ATOM 743 OE2 GLU A 47 -8.308 6.266 -9.143 1.00 0.00 O ATOM 0 H GLU A 47 -11.770 6.702 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.310 4.981 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.695 6.724 -5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.850 5.498 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.718 7.513 -7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.002 7.801 -7.268 1.00 0.00 H new ATOM 750 N VAL A 48 -10.332 3.975 -4.104 1.00 0.00 N ATOM 751 CA VAL A 48 -9.861 2.812 -3.323 1.00 0.00 C ATOM 752 C VAL A 48 -10.886 1.667 -3.349 1.00 0.00 C ATOM 753 O VAL A 48 -10.525 0.491 -3.322 1.00 0.00 O ATOM 754 CB VAL A 48 -9.510 3.172 -1.818 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.746 4.461 -1.688 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.702 3.128 -0.873 1.00 0.00 C ATOM 0 H VAL A 48 -10.434 4.828 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.940 2.488 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.847 2.369 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.535 4.654 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.808 4.385 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.341 5.279 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.377 3.386 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.456 3.842 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.128 2.125 -0.871 1.00 0.00 H new ATOM 766 N GLU A 49 -12.154 2.035 -3.416 1.00 0.00 N ATOM 767 CA GLU A 49 -13.252 1.119 -3.403 1.00 0.00 C ATOM 768 C GLU A 49 -13.197 0.232 -4.617 1.00 0.00 C ATOM 769 O GLU A 49 -13.045 -0.978 -4.500 1.00 0.00 O ATOM 770 CB GLU A 49 -14.538 1.901 -3.384 1.00 0.00 C ATOM 771 CG GLU A 49 -15.618 1.222 -2.593 1.00 0.00 C ATOM 772 CD GLU A 49 -16.243 0.018 -3.248 1.00 0.00 C ATOM 773 OE1 GLU A 49 -17.223 0.188 -3.996 1.00 0.00 O ATOM 774 OE2 GLU A 49 -15.789 -1.113 -2.994 1.00 0.00 O ATOM 0 H GLU A 49 -12.443 3.011 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.197 0.489 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.351 2.889 -2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.882 2.051 -4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.203 0.917 -1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.403 1.949 -2.385 1.00 0.00 H new ATOM 781 N GLU A 50 -13.198 0.849 -5.774 1.00 0.00 N ATOM 782 CA GLU A 50 -13.222 0.121 -7.027 1.00 0.00 C ATOM 783 C GLU A 50 -11.809 -0.259 -7.489 1.00 0.00 C ATOM 784 O GLU A 50 -11.586 -0.599 -8.661 1.00 0.00 O ATOM 785 CB GLU A 50 -13.897 0.947 -8.102 1.00 0.00 C ATOM 786 CG GLU A 50 -15.353 1.276 -7.846 1.00 0.00 C ATOM 787 CD GLU A 50 -15.964 2.054 -8.983 1.00 0.00 C ATOM 788 OE1 GLU A 50 -16.461 1.429 -9.940 1.00 0.00 O ATOM 789 OE2 GLU A 50 -15.942 3.306 -8.964 1.00 0.00 O ATOM 0 H GLU A 50 -13.182 1.864 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.786 -0.797 -6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.346 1.880 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.823 0.412 -9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.913 0.353 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.438 1.853 -6.925 1.00 0.00 H new ATOM 796 N ALA A 51 -10.881 -0.212 -6.586 1.00 0.00 N ATOM 797 CA ALA A 51 -9.506 -0.527 -6.872 1.00 0.00 C ATOM 798 C ALA A 51 -9.094 -1.811 -6.233 1.00 0.00 C ATOM 799 O ALA A 51 -9.544 -2.158 -5.123 1.00 0.00 O ATOM 800 CB ALA A 51 -8.595 0.576 -6.397 1.00 0.00 C ATOM 0 H ALA A 51 -11.053 0.049 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.420 -0.630 -7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.561 0.317 -6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.855 1.506 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.709 0.704 -5.321 1.00 0.00 H new ATOM 806 N ASP A 52 -8.251 -2.513 -6.930 1.00 0.00 N ATOM 807 CA ASP A 52 -7.647 -3.710 -6.440 1.00 0.00 C ATOM 808 C ASP A 52 -6.215 -3.712 -6.879 1.00 0.00 C ATOM 809 O ASP A 52 -5.884 -3.039 -7.865 1.00 0.00 O ATOM 810 CB ASP A 52 -8.348 -4.988 -6.949 1.00 0.00 C ATOM 811 CG ASP A 52 -8.097 -5.320 -8.421 1.00 0.00 C ATOM 812 OD1 ASP A 52 -7.073 -5.964 -8.742 1.00 0.00 O ATOM 813 OD2 ASP A 52 -8.936 -4.962 -9.275 1.00 0.00 O ATOM 0 H ASP A 52 -7.960 -2.262 -7.875 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.736 -3.721 -5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.020 -5.831 -6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.422 -4.882 -6.794 1.00 0.00 H new ATOM 818 N GLY A 53 -5.374 -4.395 -6.115 1.00 0.00 N ATOM 819 CA GLY A 53 -3.972 -4.599 -6.443 1.00 0.00 C ATOM 820 C GLY A 53 -3.226 -3.358 -6.912 1.00 0.00 C ATOM 821 O GLY A 53 -2.951 -2.436 -6.126 1.00 0.00 O ATOM 0 H GLY A 53 -5.653 -4.830 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.465 -4.997 -5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.905 -5.359 -7.222 1.00 0.00 H new ATOM 825 N LYS A 54 -2.958 -3.318 -8.214 1.00 0.00 N ATOM 826 CA LYS A 54 -2.184 -2.261 -8.842 1.00 0.00 C ATOM 827 C LYS A 54 -2.855 -0.927 -8.676 1.00 0.00 C ATOM 828 O LYS A 54 -2.199 0.075 -8.396 1.00 0.00 O ATOM 829 CB LYS A 54 -2.024 -2.510 -10.320 1.00 0.00 C ATOM 830 CG LYS A 54 -0.948 -1.640 -10.936 1.00 0.00 C ATOM 831 CD LYS A 54 -1.329 -1.152 -12.306 1.00 0.00 C ATOM 832 CE LYS A 54 -2.263 0.023 -12.185 1.00 0.00 C ATOM 833 NZ LYS A 54 -1.536 1.286 -11.867 1.00 0.00 N ATOM 0 H LYS A 54 -3.279 -4.031 -8.869 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.210 -2.256 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.779 -3.559 -10.485 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.973 -2.322 -10.823 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.759 -0.785 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.018 -2.205 -10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.436 -0.864 -12.861 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.809 -1.954 -12.868 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.813 0.146 -13.118 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.999 -0.178 -11.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.194 1.965 -11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.761 1.083 -11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.146 1.691 -12.742 1.00 0.00 H new ATOM 847 N LYS A 55 -4.161 -0.904 -8.850 1.00 0.00 N ATOM 848 CA LYS A 55 -4.894 0.327 -8.743 1.00 0.00 C ATOM 849 C LYS A 55 -4.802 0.910 -7.359 1.00 0.00 C ATOM 850 O LYS A 55 -4.724 2.110 -7.209 1.00 0.00 O ATOM 851 CB LYS A 55 -6.355 0.185 -9.153 1.00 0.00 C ATOM 852 CG LYS A 55 -6.660 0.485 -10.612 1.00 0.00 C ATOM 853 CD LYS A 55 -6.412 1.965 -10.972 1.00 0.00 C ATOM 854 CE LYS A 55 -7.271 2.931 -10.136 1.00 0.00 C ATOM 855 NZ LYS A 55 -7.005 4.343 -10.482 1.00 0.00 N ATOM 0 H LYS A 55 -4.729 -1.724 -9.065 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.422 1.013 -9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.678 -0.833 -8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.955 0.850 -8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.042 -0.149 -11.248 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.699 0.232 -10.823 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.358 2.200 -10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.625 2.118 -12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.326 2.710 -10.296 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.069 2.772 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.661 4.958 -9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.026 4.585 -10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.140 4.481 -11.504 1.00 0.00 H new ATOM 869 N LEU A 56 -4.765 0.055 -6.358 1.00 0.00 N ATOM 870 CA LEU A 56 -4.702 0.523 -5.001 1.00 0.00 C ATOM 871 C LEU A 56 -3.334 1.134 -4.721 1.00 0.00 C ATOM 872 O LEU A 56 -3.239 2.195 -4.117 1.00 0.00 O ATOM 873 CB LEU A 56 -5.021 -0.588 -4.010 1.00 0.00 C ATOM 874 CG LEU A 56 -5.162 -0.137 -2.550 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.321 0.839 -2.384 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.340 -1.320 -1.647 1.00 0.00 C ATOM 0 H LEU A 56 -4.778 -0.959 -6.463 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.461 1.294 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.949 -1.071 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.235 -1.341 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.244 0.379 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.396 1.141 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.148 1.719 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.249 0.357 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.438 -0.979 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.238 -1.866 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.473 -1.976 -1.731 1.00 0.00 H new ATOM 888 N ALA A 57 -2.285 0.483 -5.226 1.00 0.00 N ATOM 889 CA ALA A 57 -0.903 0.971 -5.084 1.00 0.00 C ATOM 890 C ALA A 57 -0.777 2.364 -5.674 1.00 0.00 C ATOM 891 O ALA A 57 -0.123 3.246 -5.119 1.00 0.00 O ATOM 892 CB ALA A 57 0.057 0.038 -5.809 1.00 0.00 C ATOM 0 H ALA A 57 -2.363 -0.393 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.655 1.000 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.077 0.407 -5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.015 -0.962 -5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.202 -0.000 -6.867 1.00 0.00 H new ATOM 898 N GLU A 58 -1.476 2.548 -6.760 1.00 0.00 N ATOM 899 CA GLU A 58 -1.477 3.761 -7.528 1.00 0.00 C ATOM 900 C GLU A 58 -2.118 4.904 -6.725 1.00 0.00 C ATOM 901 O GLU A 58 -1.741 6.069 -6.861 1.00 0.00 O ATOM 902 CB GLU A 58 -2.271 3.489 -8.780 1.00 0.00 C ATOM 903 CG GLU A 58 -2.298 4.588 -9.789 1.00 0.00 C ATOM 904 CD GLU A 58 -3.332 4.309 -10.818 1.00 0.00 C ATOM 905 OE1 GLU A 58 -3.102 3.442 -11.691 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.433 4.906 -10.734 1.00 0.00 O ATOM 0 H GLU A 58 -2.085 1.828 -7.149 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.459 4.065 -7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.867 2.596 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.297 3.261 -8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.509 5.538 -9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.320 4.683 -10.261 1.00 0.00 H new ATOM 913 N ILE A 59 -3.070 4.560 -5.899 1.00 0.00 N ATOM 914 CA ILE A 59 -3.749 5.526 -5.070 1.00 0.00 C ATOM 915 C ILE A 59 -2.859 5.880 -3.881 1.00 0.00 C ATOM 916 O ILE A 59 -2.730 7.050 -3.517 1.00 0.00 O ATOM 917 CB ILE A 59 -5.110 4.972 -4.607 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.945 4.645 -5.843 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.839 6.000 -3.737 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.061 3.679 -5.598 1.00 0.00 C ATOM 0 H ILE A 59 -3.399 3.602 -5.780 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.942 6.432 -5.644 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.956 4.073 -4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.363 5.571 -6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.289 4.236 -6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.798 5.592 -3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.233 6.229 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.005 6.911 -4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.601 3.504 -6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.653 2.737 -5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.743 4.092 -4.855 1.00 0.00 H new ATOM 932 N LEU A 60 -2.194 4.868 -3.321 1.00 0.00 N ATOM 933 CA LEU A 60 -1.250 5.086 -2.219 1.00 0.00 C ATOM 934 C LEU A 60 -0.121 6.014 -2.643 1.00 0.00 C ATOM 935 O LEU A 60 0.244 6.936 -1.910 1.00 0.00 O ATOM 936 CB LEU A 60 -0.662 3.760 -1.659 1.00 0.00 C ATOM 937 CG LEU A 60 -1.464 3.001 -0.568 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.632 3.849 0.683 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.812 2.525 -1.069 1.00 0.00 C ATOM 0 H LEU A 60 -2.289 3.894 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.821 5.555 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.517 3.080 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.325 3.980 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.880 2.117 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.198 3.290 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.651 4.101 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.168 4.765 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.333 2.000 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.405 3.382 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.669 1.849 -1.912 1.00 0.00 H new ATOM 951 N VAL A 61 0.401 5.815 -3.853 1.00 0.00 N ATOM 952 CA VAL A 61 1.504 6.648 -4.333 1.00 0.00 C ATOM 953 C VAL A 61 1.017 8.011 -4.792 1.00 0.00 C ATOM 954 O VAL A 61 1.804 8.864 -5.170 1.00 0.00 O ATOM 955 CB VAL A 61 2.333 5.982 -5.469 1.00 0.00 C ATOM 956 CG1 VAL A 61 2.893 4.646 -5.030 1.00 0.00 C ATOM 957 CG2 VAL A 61 1.518 5.837 -6.742 1.00 0.00 C ATOM 0 H VAL A 61 0.086 5.099 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 61 2.164 6.770 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 61 3.172 6.642 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.467 4.206 -5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.542 4.790 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.074 3.979 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.129 5.368 -7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.643 5.217 -6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.196 6.821 -7.082 1.00 0.00 H new ATOM 967 N ASN A 62 -0.269 8.206 -4.775 1.00 0.00 N ATOM 968 CA ASN A 62 -0.832 9.470 -5.166 1.00 0.00 C ATOM 969 C ASN A 62 -0.916 10.387 -3.949 1.00 0.00 C ATOM 970 O ASN A 62 -0.645 11.593 -4.030 1.00 0.00 O ATOM 971 CB ASN A 62 -2.225 9.275 -5.796 1.00 0.00 C ATOM 972 CG ASN A 62 -2.884 10.574 -6.235 1.00 0.00 C ATOM 973 OD1 ASN A 62 -2.216 11.546 -6.602 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.187 10.590 -6.235 1.00 0.00 N ATOM 0 H ASN A 62 -0.953 7.503 -4.493 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.188 9.929 -5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.135 8.614 -6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.873 8.774 -5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.687 11.423 -6.545 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.707 9.769 -5.925 1.00 0.00 H new ATOM 981 N THR A 63 -1.232 9.808 -2.817 1.00 0.00 N ATOM 982 CA THR A 63 -1.435 10.573 -1.614 1.00 0.00 C ATOM 983 C THR A 63 -0.208 10.592 -0.701 1.00 0.00 C ATOM 984 O THR A 63 0.021 11.562 0.023 1.00 0.00 O ATOM 985 CB THR A 63 -2.676 10.059 -0.867 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.590 8.629 -0.745 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.936 10.427 -1.644 1.00 0.00 C ATOM 0 H THR A 63 -1.355 8.802 -2.705 1.00 0.00 H new ATOM 0 HA THR A 63 -1.600 11.608 -1.914 1.00 0.00 H new ATOM 0 HB THR A 63 -2.721 10.514 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.378 8.293 -0.268 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.813 10.060 -1.110 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.999 11.511 -1.743 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.898 9.973 -2.634 1.00 0.00 H new ATOM 995 N SER A 64 0.575 9.549 -0.722 1.00 0.00 N ATOM 996 CA SER A 64 1.732 9.491 0.102 1.00 0.00 C ATOM 997 C SER A 64 3.001 9.369 -0.732 1.00 0.00 C ATOM 998 O SER A 64 2.975 8.918 -1.890 1.00 0.00 O ATOM 999 CB SER A 64 1.605 8.318 1.046 1.00 0.00 C ATOM 1000 OG SER A 64 0.448 8.439 1.835 1.00 0.00 O ATOM 0 H SER A 64 0.425 8.727 -1.307 1.00 0.00 H new ATOM 0 HA SER A 64 1.806 10.417 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.568 7.389 0.477 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.485 8.264 1.687 1.00 0.00 H new ATOM 0 HG SER A 64 0.598 8.011 2.704 1.00 0.00 H new ATOM 1006 N SER A 65 4.088 9.810 -0.167 1.00 0.00 N ATOM 1007 CA SER A 65 5.369 9.673 -0.777 1.00 0.00 C ATOM 1008 C SER A 65 5.901 8.273 -0.454 1.00 0.00 C ATOM 1009 O SER A 65 5.521 7.692 0.583 1.00 0.00 O ATOM 1010 CB SER A 65 6.285 10.750 -0.225 1.00 0.00 C ATOM 1011 OG SER A 65 5.662 12.024 -0.339 1.00 0.00 O ATOM 0 H SER A 65 4.105 10.279 0.739 1.00 0.00 H new ATOM 0 HA SER A 65 5.313 9.790 -1.859 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.517 10.542 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.230 10.748 -0.768 1.00 0.00 H new ATOM 0 HG SER A 65 6.259 12.713 0.021 1.00 0.00 H new ATOM 1017 N GLU A 66 6.763 7.731 -1.313 1.00 0.00 N ATOM 1018 CA GLU A 66 7.290 6.357 -1.160 1.00 0.00 C ATOM 1019 C GLU A 66 7.917 6.127 0.223 1.00 0.00 C ATOM 1020 O GLU A 66 7.801 5.044 0.795 1.00 0.00 O ATOM 1021 CB GLU A 66 8.331 6.049 -2.237 1.00 0.00 C ATOM 1022 CG GLU A 66 9.495 7.016 -2.223 1.00 0.00 C ATOM 1023 CD GLU A 66 10.655 6.606 -3.067 1.00 0.00 C ATOM 1024 OE1 GLU A 66 11.043 5.429 -3.034 1.00 0.00 O ATOM 1025 OE2 GLU A 66 11.245 7.472 -3.718 1.00 0.00 O ATOM 0 H GLU A 66 7.120 8.221 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 66 6.438 5.686 -1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.705 5.035 -2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.853 6.077 -3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.144 7.991 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.836 7.138 -1.195 1.00 0.00 H new ATOM 1032 N ASN A 67 8.542 7.167 0.755 1.00 0.00 N ATOM 1033 CA ASN A 67 9.230 7.125 2.048 1.00 0.00 C ATOM 1034 C ASN A 67 8.251 6.848 3.182 1.00 0.00 C ATOM 1035 O ASN A 67 8.612 6.260 4.191 1.00 0.00 O ATOM 1036 CB ASN A 67 9.978 8.452 2.280 1.00 0.00 C ATOM 1037 CG ASN A 67 10.767 8.530 3.576 1.00 0.00 C ATOM 1038 OD1 ASN A 67 10.247 8.919 4.611 1.00 0.00 O ATOM 1039 ND2 ASN A 67 12.034 8.254 3.511 1.00 0.00 N ATOM 0 H ASN A 67 8.589 8.078 0.299 1.00 0.00 H new ATOM 0 HA ASN A 67 9.952 6.309 2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.661 8.616 1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.254 9.267 2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.622 8.360 4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.441 7.931 2.633 1.00 0.00 H new ATOM 1046 N TRP A 68 7.011 7.224 2.994 1.00 0.00 N ATOM 1047 CA TRP A 68 6.016 6.997 4.007 1.00 0.00 C ATOM 1048 C TRP A 68 5.336 5.654 3.749 1.00 0.00 C ATOM 1049 O TRP A 68 5.114 4.860 4.671 1.00 0.00 O ATOM 1050 CB TRP A 68 4.989 8.135 4.012 1.00 0.00 C ATOM 1051 CG TRP A 68 4.088 8.118 5.207 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.345 8.672 6.426 1.00 0.00 C ATOM 1053 CD2 TRP A 68 2.793 7.521 5.306 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.296 8.449 7.273 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.331 7.747 6.614 1.00 0.00 C ATOM 1056 CE3 TRP A 68 1.982 6.815 4.417 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.101 7.293 7.055 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 0.758 6.368 4.857 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.331 6.607 6.165 1.00 0.00 C ATOM 0 H TRP A 68 6.669 7.687 2.152 1.00 0.00 H new ATOM 0 HA TRP A 68 6.493 6.973 4.987 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.515 9.089 3.976 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.383 8.071 3.108 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.246 9.209 6.684 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.243 8.758 8.244 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.308 6.624 3.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.764 7.475 8.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.117 5.823 4.180 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.634 6.239 6.479 1.00 0.00 H new ATOM 1070 N ILE A 69 5.065 5.373 2.479 1.00 0.00 N ATOM 1071 CA ILE A 69 4.354 4.154 2.088 1.00 0.00 C ATOM 1072 C ILE A 69 5.161 2.909 2.432 1.00 0.00 C ATOM 1073 O ILE A 69 4.592 1.884 2.803 1.00 0.00 O ATOM 1074 CB ILE A 69 4.026 4.121 0.582 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.364 5.414 0.152 1.00 0.00 C ATOM 1076 CG2 ILE A 69 3.077 2.957 0.298 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.205 5.540 -1.338 1.00 0.00 C ATOM 0 H ILE A 69 5.327 5.974 1.697 1.00 0.00 H new ATOM 0 HA ILE A 69 3.421 4.161 2.651 1.00 0.00 H new ATOM 0 HB ILE A 69 4.954 3.996 0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.383 5.484 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.954 6.254 0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.842 2.930 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.553 2.020 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.158 3.089 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.724 6.489 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.185 5.502 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.590 4.720 -1.709 1.00 0.00 H new ATOM 1089 N ARG A 70 6.487 3.020 2.348 1.00 0.00 N ATOM 1090 CA ARG A 70 7.387 1.903 2.637 1.00 0.00 C ATOM 1091 C ARG A 70 7.250 1.449 4.101 1.00 0.00 C ATOM 1092 O ARG A 70 7.607 0.338 4.448 1.00 0.00 O ATOM 1093 CB ARG A 70 8.833 2.291 2.306 1.00 0.00 C ATOM 1094 CG ARG A 70 9.369 3.424 3.134 1.00 0.00 C ATOM 1095 CD ARG A 70 10.766 3.791 2.719 1.00 0.00 C ATOM 1096 NE ARG A 70 10.874 4.190 1.304 1.00 0.00 N ATOM 1097 CZ ARG A 70 11.898 4.893 0.797 1.00 0.00 C ATOM 1098 NH1 ARG A 70 12.834 5.378 1.601 1.00 0.00 N ATOM 1099 NH2 ARG A 70 11.976 5.135 -0.494 1.00 0.00 N ATOM 0 H ARG A 70 6.965 3.880 2.080 1.00 0.00 H new ATOM 0 HA ARG A 70 7.107 1.058 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.473 1.419 2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.892 2.565 1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.717 4.292 3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.362 3.142 4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.120 4.609 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.425 2.942 2.900 1.00 0.00 H new ATOM 0 HE ARG A 70 10.123 3.914 0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.776 5.217 2.607 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.612 5.912 1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.252 4.787 -1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.760 5.671 -0.866 1.00 0.00 H new ATOM 1113 N ASN A 71 6.731 2.332 4.935 1.00 0.00 N ATOM 1114 CA ASN A 71 6.435 2.015 6.323 1.00 0.00 C ATOM 1115 C ASN A 71 4.982 1.560 6.416 1.00 0.00 C ATOM 1116 O ASN A 71 4.670 0.513 6.993 1.00 0.00 O ATOM 1117 CB ASN A 71 6.649 3.261 7.206 1.00 0.00 C ATOM 1118 CG ASN A 71 6.242 3.066 8.669 1.00 0.00 C ATOM 1119 OD1 ASN A 71 6.330 1.972 9.227 1.00 0.00 O ATOM 1120 ND2 ASN A 71 5.794 4.122 9.295 1.00 0.00 N ATOM 0 H ASN A 71 6.502 3.290 4.670 1.00 0.00 H new ATOM 0 HA ASN A 71 7.098 1.224 6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.701 3.545 7.167 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.079 4.091 6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.506 4.052 10.271 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.732 5.016 8.807 1.00 0.00 H new ATOM 1127 N ALA A 72 4.110 2.349 5.784 1.00 0.00 N ATOM 1128 CA ALA A 72 2.667 2.133 5.780 1.00 0.00 C ATOM 1129 C ALA A 72 2.269 0.734 5.338 1.00 0.00 C ATOM 1130 O ALA A 72 1.620 0.031 6.085 1.00 0.00 O ATOM 1131 CB ALA A 72 1.980 3.156 4.906 1.00 0.00 C ATOM 0 H ALA A 72 4.396 3.171 5.251 1.00 0.00 H new ATOM 0 HA ALA A 72 2.342 2.246 6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.904 2.979 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.186 4.157 5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.353 3.071 3.885 1.00 0.00 H new ATOM 1137 N THR A 73 2.685 0.331 4.143 1.00 0.00 N ATOM 1138 CA THR A 73 2.308 -0.969 3.587 1.00 0.00 C ATOM 1139 C THR A 73 2.796 -2.096 4.490 1.00 0.00 C ATOM 1140 O THR A 73 2.023 -2.963 4.828 1.00 0.00 O ATOM 1141 CB THR A 73 2.789 -1.135 2.085 1.00 0.00 C ATOM 1142 OG1 THR A 73 2.269 -2.328 1.503 1.00 0.00 O ATOM 1143 CG2 THR A 73 4.314 -1.143 1.951 1.00 0.00 C ATOM 0 H THR A 73 3.287 0.887 3.536 1.00 0.00 H new ATOM 0 HA THR A 73 1.220 -1.024 3.556 1.00 0.00 H new ATOM 0 HB THR A 73 2.402 -0.266 1.553 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.581 -2.403 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.586 -1.259 0.902 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.717 -0.203 2.329 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.725 -1.972 2.527 1.00 0.00 H new ATOM 1151 N VAL A 74 4.023 -2.018 4.964 1.00 0.00 N ATOM 1152 CA VAL A 74 4.554 -3.042 5.844 1.00 0.00 C ATOM 1153 C VAL A 74 3.692 -3.137 7.114 1.00 0.00 C ATOM 1154 O VAL A 74 3.264 -4.217 7.498 1.00 0.00 O ATOM 1155 CB VAL A 74 6.042 -2.763 6.193 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.545 -3.723 7.238 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.902 -2.885 4.950 1.00 0.00 C ATOM 0 H VAL A 74 4.671 -1.258 4.756 1.00 0.00 H new ATOM 0 HA VAL A 74 4.518 -4.001 5.327 1.00 0.00 H new ATOM 0 HB VAL A 74 6.106 -1.749 6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.589 -3.503 7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.950 -3.618 8.145 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.461 -4.744 6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.943 -2.687 5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.814 -3.893 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.569 -2.163 4.205 1.00 0.00 H new ATOM 1167 N ASN A 75 3.382 -1.993 7.681 1.00 0.00 N ATOM 1168 CA ASN A 75 2.541 -1.893 8.880 1.00 0.00 C ATOM 1169 C ASN A 75 1.126 -2.439 8.614 1.00 0.00 C ATOM 1170 O ASN A 75 0.609 -3.216 9.403 1.00 0.00 O ATOM 1171 CB ASN A 75 2.474 -0.426 9.336 1.00 0.00 C ATOM 1172 CG ASN A 75 1.683 -0.216 10.614 1.00 0.00 C ATOM 1173 OD1 ASN A 75 2.234 -0.296 11.713 1.00 0.00 O ATOM 1174 ND2 ASN A 75 0.420 0.100 10.494 1.00 0.00 N ATOM 0 H ASN A 75 3.703 -1.091 7.329 1.00 0.00 H new ATOM 0 HA ASN A 75 2.985 -2.499 9.670 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.488 -0.054 9.483 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.027 0.171 8.541 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.140 0.289 11.326 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.006 0.158 9.569 1.00 0.00 H new ATOM 1181 N ILE A 76 0.520 -2.044 7.489 1.00 0.00 N ATOM 1182 CA ILE A 76 -0.831 -2.521 7.123 1.00 0.00 C ATOM 1183 C ILE A 76 -0.811 -4.038 6.962 1.00 0.00 C ATOM 1184 O ILE A 76 -1.638 -4.737 7.529 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.372 -1.899 5.792 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.401 -0.359 5.837 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -2.774 -2.433 5.497 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.403 0.244 6.790 1.00 0.00 C ATOM 0 H ILE A 76 0.935 -1.400 6.816 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.493 -2.208 7.930 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.688 -2.192 4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.407 -0.002 6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.610 0.013 4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.142 -1.995 4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.736 -3.518 5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.444 -2.168 6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.341 1.331 6.744 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.408 -0.074 6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.186 -0.089 7.805 1.00 0.00 H new ATOM 1200 N LEU A 77 0.167 -4.539 6.213 1.00 0.00 N ATOM 1201 CA LEU A 77 0.309 -5.972 5.989 1.00 0.00 C ATOM 1202 C LEU A 77 0.570 -6.713 7.303 1.00 0.00 C ATOM 1203 O LEU A 77 0.097 -7.836 7.503 1.00 0.00 O ATOM 1204 CB LEU A 77 1.388 -6.297 4.933 1.00 0.00 C ATOM 1205 CG LEU A 77 0.990 -6.159 3.432 1.00 0.00 C ATOM 1206 CD1 LEU A 77 0.668 -4.757 3.003 1.00 0.00 C ATOM 1207 CD2 LEU A 77 2.020 -6.801 2.522 1.00 0.00 C ATOM 0 H LEU A 77 0.875 -3.970 5.750 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.639 -6.327 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.244 -5.647 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.724 -7.320 5.099 1.00 0.00 H new ATOM 0 HG LEU A 77 0.054 -6.708 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.402 -4.752 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.170 -4.380 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.538 -4.119 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.710 -6.686 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.986 -6.318 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.105 -7.861 2.760 1.00 0.00 H new ATOM 1219 N GLU A 78 1.293 -6.075 8.202 1.00 0.00 N ATOM 1220 CA GLU A 78 1.525 -6.620 9.523 1.00 0.00 C ATOM 1221 C GLU A 78 0.245 -6.642 10.343 1.00 0.00 C ATOM 1222 O GLU A 78 -0.032 -7.614 11.048 1.00 0.00 O ATOM 1223 CB GLU A 78 2.656 -5.897 10.242 1.00 0.00 C ATOM 1224 CG GLU A 78 4.021 -6.317 9.750 1.00 0.00 C ATOM 1225 CD GLU A 78 5.122 -5.823 10.620 1.00 0.00 C ATOM 1226 OE1 GLU A 78 5.391 -6.452 11.665 1.00 0.00 O ATOM 1227 OE2 GLU A 78 5.783 -4.829 10.278 1.00 0.00 O ATOM 0 H GLU A 78 1.733 -5.170 8.038 1.00 0.00 H new ATOM 0 HA GLU A 78 1.846 -7.655 9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.540 -4.822 10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.584 -6.092 11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.065 -7.405 9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.168 -5.943 8.737 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.560 -5.609 10.208 1.00 0.00 N ATOM 1235 CA GLU A 79 -1.869 -5.562 10.846 1.00 0.00 C ATOM 1236 C GLU A 79 -2.850 -6.530 10.185 1.00 0.00 C ATOM 1237 O GLU A 79 -3.917 -6.802 10.715 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.446 -4.146 10.885 1.00 0.00 C ATOM 1239 CG GLU A 79 -2.211 -3.394 12.196 1.00 0.00 C ATOM 1240 CD GLU A 79 -0.759 -3.125 12.531 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -0.030 -4.057 12.953 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -0.341 -1.964 12.472 1.00 0.00 O ATOM 0 H GLU A 79 -0.332 -4.781 9.658 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.722 -5.880 11.878 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.012 -3.569 10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.519 -4.201 10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.740 -2.442 12.150 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.655 -3.967 13.010 1.00 0.00 H new ATOM 1249 N MET A 80 -2.480 -7.054 9.024 1.00 0.00 N ATOM 1250 CA MET A 80 -3.280 -8.066 8.353 1.00 0.00 C ATOM 1251 C MET A 80 -2.843 -9.439 8.810 1.00 0.00 C ATOM 1252 O MET A 80 -3.420 -10.443 8.400 1.00 0.00 O ATOM 1253 CB MET A 80 -3.158 -7.992 6.825 1.00 0.00 C ATOM 1254 CG MET A 80 -3.738 -6.748 6.187 1.00 0.00 C ATOM 1255 SD MET A 80 -3.620 -6.762 4.386 1.00 0.00 S ATOM 1256 CE MET A 80 -4.581 -8.226 4.004 1.00 0.00 C ATOM 0 H MET A 80 -1.628 -6.793 8.527 1.00 0.00 H new ATOM 0 HA MET A 80 -4.321 -7.880 8.616 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.103 -8.059 6.558 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.651 -8.864 6.395 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.784 -6.651 6.477 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.218 -5.871 6.573 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.861 -8.213 2.951 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.986 -9.116 4.211 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.481 -8.241 4.618 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.811 -9.466 9.671 1.00 0.00 N ATOM 1267 CA ASN A 81 -1.220 -10.704 10.230 1.00 0.00 C ATOM 1268 C ASN A 81 -0.445 -11.455 9.130 1.00 0.00 C ATOM 1269 O ASN A 81 -0.184 -12.647 9.212 1.00 0.00 O ATOM 1270 CB ASN A 81 -2.315 -11.591 10.901 1.00 0.00 C ATOM 1271 CG ASN A 81 -1.782 -12.809 11.652 1.00 0.00 C ATOM 1272 OD1 ASN A 81 -0.659 -12.805 12.171 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -2.589 -13.842 11.747 1.00 0.00 N ATOM 0 H ASN A 81 -1.354 -8.618 10.006 1.00 0.00 H new ATOM 0 HA ASN A 81 -0.510 -10.443 11.015 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.886 -10.975 11.596 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.009 -11.931 10.132 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.295 -14.673 12.261 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.509 -13.813 11.307 1.00 0.00 H new ATOM 1280 N LEU A 82 -0.016 -10.716 8.132 1.00 0.00 N ATOM 1281 CA LEU A 82 0.711 -11.283 7.025 1.00 0.00 C ATOM 1282 C LEU A 82 2.203 -11.237 7.286 1.00 0.00 C ATOM 1283 O LEU A 82 2.738 -10.200 7.690 1.00 0.00 O ATOM 1284 CB LEU A 82 0.395 -10.517 5.738 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.038 -10.609 5.218 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.208 -9.735 3.987 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.402 -12.054 4.902 1.00 0.00 C ATOM 0 H LEU A 82 -0.162 -9.709 8.067 1.00 0.00 H new ATOM 0 HA LEU A 82 0.403 -12.323 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.630 -9.465 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.064 -10.876 4.956 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.712 -10.250 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.234 -9.810 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.988 -8.699 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.524 -10.069 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.427 -12.099 4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.725 -12.442 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.315 -12.657 5.806 1.00 0.00 H new ATOM 1299 N THR A 83 2.866 -12.350 7.104 1.00 0.00 N ATOM 1300 CA THR A 83 4.299 -12.385 7.213 1.00 0.00 C ATOM 1301 C THR A 83 4.942 -12.527 5.844 1.00 0.00 C ATOM 1302 O THR A 83 5.505 -11.586 5.350 1.00 0.00 O ATOM 1303 CB THR A 83 4.796 -13.506 8.148 1.00 0.00 C ATOM 1304 OG1 THR A 83 4.108 -14.736 7.857 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.637 -13.132 9.605 1.00 0.00 C ATOM 0 H THR A 83 2.434 -13.246 6.879 1.00 0.00 H new ATOM 0 HA THR A 83 4.599 -11.435 7.655 1.00 0.00 H new ATOM 0 HB THR A 83 5.861 -13.647 7.966 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.432 -15.442 8.455 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.998 -13.948 10.231 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.213 -12.231 9.814 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.585 -12.948 9.821 1.00 0.00 H new ATOM 1313 N GLU A 84 4.769 -13.692 5.230 1.00 0.00 N ATOM 1314 CA GLU A 84 5.387 -14.091 3.937 1.00 0.00 C ATOM 1315 C GLU A 84 5.560 -12.946 2.893 1.00 0.00 C ATOM 1316 O GLU A 84 6.686 -12.566 2.559 1.00 0.00 O ATOM 1317 CB GLU A 84 4.610 -15.273 3.354 1.00 0.00 C ATOM 1318 CG GLU A 84 3.100 -15.064 3.300 1.00 0.00 C ATOM 1319 CD GLU A 84 2.371 -16.285 2.843 1.00 0.00 C ATOM 1320 OE1 GLU A 84 2.191 -17.206 3.657 1.00 0.00 O ATOM 1321 OE2 GLU A 84 1.958 -16.347 1.671 1.00 0.00 O ATOM 0 H GLU A 84 4.175 -14.423 5.621 1.00 0.00 H new ATOM 0 HA GLU A 84 6.412 -14.381 4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.974 -15.471 2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.821 -16.161 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.740 -14.778 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.875 -14.237 2.627 1.00 0.00 H new ATOM 1328 N LEU A 85 4.467 -12.387 2.414 1.00 0.00 N ATOM 1329 CA LEU A 85 4.540 -11.323 1.423 1.00 0.00 C ATOM 1330 C LEU A 85 4.956 -9.993 2.045 1.00 0.00 C ATOM 1331 O LEU A 85 5.558 -9.170 1.398 1.00 0.00 O ATOM 1332 CB LEU A 85 3.248 -11.177 0.571 1.00 0.00 C ATOM 1333 CG LEU A 85 1.931 -10.786 1.277 1.00 0.00 C ATOM 1334 CD1 LEU A 85 0.887 -10.428 0.241 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.397 -11.917 2.147 1.00 0.00 C ATOM 0 H LEU A 85 3.520 -12.647 2.691 1.00 0.00 H new ATOM 0 HA LEU A 85 5.323 -11.625 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.443 -10.431 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.080 -12.126 0.061 1.00 0.00 H new ATOM 0 HG LEU A 85 2.142 -9.931 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.042 -10.152 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.241 -9.588 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.709 -11.286 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.470 -11.601 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.205 -12.793 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.133 -12.167 2.911 1.00 0.00 H new ATOM 1347 N CYS A 86 4.691 -9.818 3.312 1.00 0.00 N ATOM 1348 CA CYS A 86 5.084 -8.600 4.000 1.00 0.00 C ATOM 1349 C CYS A 86 6.612 -8.579 4.125 1.00 0.00 C ATOM 1350 O CYS A 86 7.242 -7.548 4.012 1.00 0.00 O ATOM 1351 CB CYS A 86 4.448 -8.549 5.379 1.00 0.00 C ATOM 1352 SG CYS A 86 4.785 -7.040 6.319 1.00 0.00 S ATOM 0 H CYS A 86 4.205 -10.499 3.896 1.00 0.00 H new ATOM 0 HA CYS A 86 4.746 -7.732 3.434 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.369 -8.658 5.270 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.798 -9.405 5.956 1.00 0.00 H new ATOM 0 HG CYS A 86 5.157 -6.096 5.506 1.00 0.00 H new ATOM 1358 N LYS A 87 7.187 -9.759 4.295 1.00 0.00 N ATOM 1359 CA LYS A 87 8.625 -9.948 4.394 1.00 0.00 C ATOM 1360 C LYS A 87 9.299 -9.702 3.046 1.00 0.00 C ATOM 1361 O LYS A 87 10.496 -9.452 2.975 1.00 0.00 O ATOM 1362 CB LYS A 87 8.926 -11.345 4.936 1.00 0.00 C ATOM 1363 CG LYS A 87 8.453 -11.539 6.379 1.00 0.00 C ATOM 1364 CD LYS A 87 8.439 -13.004 6.800 1.00 0.00 C ATOM 1365 CE LYS A 87 9.808 -13.633 6.738 1.00 0.00 C ATOM 1366 NZ LYS A 87 9.764 -15.063 7.096 1.00 0.00 N ATOM 0 H LYS A 87 6.658 -10.628 4.369 1.00 0.00 H new ATOM 0 HA LYS A 87 9.036 -9.219 5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.446 -12.088 4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.000 -11.526 4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.105 -10.979 7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.451 -11.124 6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.051 -13.084 7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.758 -13.558 6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.216 -13.521 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.481 -13.108 7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.722 -15.464 7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.398 -15.167 8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.141 -15.568 6.434 1.00 0.00 H new ATOM 1380 N MET A 88 8.508 -9.769 1.989 1.00 0.00 N ATOM 1381 CA MET A 88 8.958 -9.435 0.655 1.00 0.00 C ATOM 1382 C MET A 88 9.106 -7.920 0.585 1.00 0.00 C ATOM 1383 O MET A 88 10.118 -7.402 0.133 1.00 0.00 O ATOM 1384 CB MET A 88 7.932 -9.922 -0.371 1.00 0.00 C ATOM 1385 CG MET A 88 8.283 -9.633 -1.812 1.00 0.00 C ATOM 1386 SD MET A 88 7.007 -10.201 -2.960 1.00 0.00 S ATOM 1387 CE MET A 88 7.760 -9.748 -4.524 1.00 0.00 C ATOM 0 H MET A 88 7.531 -10.058 2.036 1.00 0.00 H new ATOM 0 HA MET A 88 9.911 -9.915 0.433 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.805 -10.998 -0.253 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.970 -9.461 -0.148 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.431 -8.561 -1.939 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.229 -10.116 -2.057 1.00 0.00 H new ATOM 0 HE1 MET A 88 7.123 -10.079 -5.344 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.879 -8.665 -4.571 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.737 -10.224 -4.609 1.00 0.00 H new ATOM 1397 N ALA A 89 8.091 -7.224 1.092 1.00 0.00 N ATOM 1398 CA ALA A 89 8.100 -5.760 1.198 1.00 0.00 C ATOM 1399 C ALA A 89 9.261 -5.339 2.080 1.00 0.00 C ATOM 1400 O ALA A 89 10.037 -4.488 1.717 1.00 0.00 O ATOM 1401 CB ALA A 89 6.802 -5.273 1.817 1.00 0.00 C ATOM 0 H ALA A 89 7.236 -7.656 1.442 1.00 0.00 H new ATOM 0 HA ALA A 89 8.204 -5.327 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.820 -4.186 1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.963 -5.581 1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.690 -5.702 2.813 1.00 0.00 H new ATOM 1407 N LYS A 90 9.405 -6.023 3.214 1.00 0.00 N ATOM 1408 CA LYS A 90 10.484 -5.783 4.198 1.00 0.00 C ATOM 1409 C LYS A 90 11.876 -6.073 3.632 1.00 0.00 C ATOM 1410 O LYS A 90 12.881 -5.857 4.316 1.00 0.00 O ATOM 1411 CB LYS A 90 10.283 -6.652 5.437 1.00 0.00 C ATOM 1412 CG LYS A 90 9.073 -6.322 6.269 1.00 0.00 C ATOM 1413 CD LYS A 90 8.862 -7.374 7.348 1.00 0.00 C ATOM 1414 CE LYS A 90 7.735 -6.990 8.269 1.00 0.00 C ATOM 1415 NZ LYS A 90 8.117 -5.910 9.206 1.00 0.00 N ATOM 0 H LYS A 90 8.771 -6.773 3.488 1.00 0.00 H new ATOM 0 HA LYS A 90 10.428 -4.725 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.213 -7.693 5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.169 -6.568 6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.197 -5.342 6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.191 -6.265 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.644 -8.336 6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.779 -7.498 7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.879 -6.668 7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.419 -7.865 8.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.282 -5.332 9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.493 -6.327 10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.845 -5.311 8.767 1.00 0.00 H new ATOM 1429 N ALA A 91 11.936 -6.587 2.426 1.00 0.00 N ATOM 1430 CA ALA A 91 13.194 -6.866 1.780 1.00 0.00 C ATOM 1431 C ALA A 91 13.402 -5.965 0.581 1.00 0.00 C ATOM 1432 O ALA A 91 14.461 -5.981 -0.039 1.00 0.00 O ATOM 1433 CB ALA A 91 13.267 -8.328 1.372 1.00 0.00 C ATOM 0 H ALA A 91 11.116 -6.823 1.867 1.00 0.00 H new ATOM 0 HA ALA A 91 13.994 -6.664 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.223 -8.523 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.175 -8.958 2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.455 -8.554 0.680 1.00 0.00 H new ATOM 1439 N GLU A 92 12.402 -5.169 0.259 1.00 0.00 N ATOM 1440 CA GLU A 92 12.477 -4.312 -0.906 1.00 0.00 C ATOM 1441 C GLU A 92 12.106 -2.882 -0.542 1.00 0.00 C ATOM 1442 O GLU A 92 12.939 -1.973 -0.615 1.00 0.00 O ATOM 1443 CB GLU A 92 11.583 -4.851 -2.021 1.00 0.00 C ATOM 1444 CG GLU A 92 11.928 -6.267 -2.436 1.00 0.00 C ATOM 1445 CD GLU A 92 11.402 -6.663 -3.777 1.00 0.00 C ATOM 1446 OE1 GLU A 92 12.120 -6.454 -4.775 1.00 0.00 O ATOM 1447 OE2 GLU A 92 10.318 -7.249 -3.853 1.00 0.00 O ATOM 0 H GLU A 92 11.531 -5.098 0.786 1.00 0.00 H new ATOM 0 HA GLU A 92 13.504 -4.306 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.544 -4.819 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.662 -4.196 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.012 -6.378 -2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.538 -6.957 -1.688 1.00 0.00 H new ATOM 1454 N MET A 93 10.876 -2.692 -0.127 1.00 0.00 N ATOM 1455 CA MET A 93 10.397 -1.400 0.309 1.00 0.00 C ATOM 1456 C MET A 93 10.673 -1.235 1.775 1.00 0.00 C ATOM 1457 O MET A 93 9.837 -1.512 2.626 1.00 0.00 O ATOM 1458 CB MET A 93 8.911 -1.181 -0.030 1.00 0.00 C ATOM 1459 CG MET A 93 8.680 -0.886 -1.482 1.00 0.00 C ATOM 1460 SD MET A 93 9.369 0.708 -1.975 1.00 0.00 S ATOM 1461 CE MET A 93 9.020 0.714 -3.732 1.00 0.00 C ATOM 0 H MET A 93 10.175 -3.432 -0.082 1.00 0.00 H new ATOM 0 HA MET A 93 10.938 -0.628 -0.238 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.345 -2.070 0.249 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.525 -0.356 0.569 1.00 0.00 H new ATOM 0 HG2 MET A 93 9.127 -1.675 -2.086 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.609 -0.896 -1.687 1.00 0.00 H new ATOM 0 HE1 MET A 93 9.174 1.717 -4.130 1.00 0.00 H new ATOM 0 HE2 MET A 93 9.687 0.016 -4.238 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.986 0.412 -3.899 1.00 0.00 H new