USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 702 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 20 SER OG : rot 24:sc= -4.38! USER MOD Set 1.2: A 27 MET CE :methyl -162:sc= -1.23 (180deg=-1.97!) USER MOD Set 1.3: A 39 THR OG1 : rot -113:sc= 0.835 USER MOD Single : A 3 CYS SG : rot -26:sc= -2.99! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0.877 (180deg=0.857) USER MOD Single : A 9 HIS : no HD1:sc= -19.8! C(o=-20!,f=-23!) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -1.62 F(o=-3,f=-1.6) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -170:sc= 0.142 USER MOD Single : A 24 MET CE :methyl -177:sc= -3.93! (180deg=-4.02!) USER MOD Single : A 28 LYS NZ :NH3+ -107:sc= -1.16! (180deg=-8.03!) USER MOD Single : A 30 THR OG1 : rot -106:sc= -3.28! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -4.95! C(o=-4.9!,f=-11!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc=-0.00514! C(o=-1.7!,f=-0.0051!) USER MOD Single : A 53 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 55 TYR OH : rot -140:sc= -1.53! USER MOD Single : A 56 ASN : amide:sc= -2.88! C(o=-2.9!,f=-5.1!) USER MOD Single : A 58 SER OG : rot 39:sc= -0.29 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 71 THR OG1 : rot 101:sc= 0.826 USER MOD Single : A 75 MET CE :methyl 143:sc= -4.34! (180deg=-5.49!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -1.89 K(o=-1.9,f=-6!) USER MOD Single : A 81 MET CE :methyl -116:sc= 0 (180deg=-0.0583) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -6.59! C(o=-6.6!,f=-8.8!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -11.6! C(o=-12!,f=-13!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0206) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot -27:sc= 0.338 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 120:sc= -0.197 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 3 11.816 9.632 1.319 1.00 0.00 N ATOM 2 CA CYS A 3 12.498 8.883 2.361 1.00 0.00 C ATOM 3 C CYS A 3 14.004 9.111 2.210 1.00 0.00 C ATOM 4 O CYS A 3 14.762 8.922 3.160 1.00 0.00 O ATOM 5 CB CYS A 3 12.139 7.397 2.317 1.00 0.00 C ATOM 6 SG CYS A 3 12.962 6.513 3.692 1.00 0.00 S ATOM 0 HA CYS A 3 12.174 9.239 3.339 1.00 0.00 H new ATOM 0 HB2 CYS A 3 11.058 7.273 2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 3 12.446 6.968 1.363 1.00 0.00 H new ATOM 0 HG CYS A 3 14.044 7.149 4.031 1.00 0.00 H new ATOM 11 N THR A 4 14.391 9.514 1.009 1.00 0.00 N ATOM 12 CA THR A 4 15.792 9.769 0.722 1.00 0.00 C ATOM 13 C THR A 4 16.369 10.768 1.727 1.00 0.00 C ATOM 14 O THR A 4 17.239 10.420 2.524 1.00 0.00 O ATOM 15 CB THR A 4 15.899 10.238 -0.730 1.00 0.00 C ATOM 16 OG1 THR A 4 15.772 9.040 -1.493 1.00 0.00 O ATOM 17 CG2 THR A 4 17.297 10.754 -1.078 1.00 0.00 C ATOM 0 H THR A 4 13.759 9.670 0.224 1.00 0.00 H new ATOM 0 HA THR A 4 16.389 8.864 0.831 1.00 0.00 H new ATOM 0 HB THR A 4 15.166 11.024 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 4 15.828 9.253 -2.448 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.318 11.074 -2.120 1.00 0.00 H new ATOM 0 HG22 THR A 4 17.544 11.598 -0.434 1.00 0.00 H new ATOM 0 HG23 THR A 4 18.026 9.958 -0.928 1.00 0.00 H new ATOM 25 N PHE A 5 15.862 11.990 1.655 1.00 0.00 N ATOM 26 CA PHE A 5 16.317 13.042 2.550 1.00 0.00 C ATOM 27 C PHE A 5 15.156 13.597 3.377 1.00 0.00 C ATOM 28 O PHE A 5 15.064 13.336 4.576 1.00 0.00 O ATOM 29 CB PHE A 5 16.883 14.161 1.672 1.00 0.00 C ATOM 30 CG PHE A 5 18.399 14.331 1.783 1.00 0.00 C ATOM 31 CD1 PHE A 5 19.229 13.515 1.078 1.00 0.00 C ATOM 32 CD2 PHE A 5 18.918 15.297 2.586 1.00 0.00 C ATOM 33 CE1 PHE A 5 20.636 13.673 1.181 1.00 0.00 C ATOM 34 CE2 PHE A 5 20.326 15.455 2.690 1.00 0.00 C ATOM 35 CZ PHE A 5 21.155 14.640 1.984 1.00 0.00 C ATOM 0 H PHE A 5 15.141 12.275 0.992 1.00 0.00 H new ATOM 0 HA PHE A 5 17.064 12.648 3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 5 16.625 13.959 0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 5 16.401 15.101 1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 5 18.817 12.747 0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 5 18.260 15.945 3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 5 21.294 13.025 0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 5 20.738 16.222 3.329 1.00 0.00 H new ATOM 0 HZ PHE A 5 22.225 14.761 2.061 1.00 0.00 H new ATOM 44 N PHE A 6 14.300 14.352 2.705 1.00 0.00 N ATOM 45 CA PHE A 6 13.149 14.947 3.363 1.00 0.00 C ATOM 46 C PHE A 6 11.843 14.443 2.745 1.00 0.00 C ATOM 47 O PHE A 6 11.053 13.776 3.412 1.00 0.00 O ATOM 48 CB PHE A 6 13.247 16.460 3.156 1.00 0.00 C ATOM 49 CG PHE A 6 13.219 17.268 4.455 1.00 0.00 C ATOM 50 CD1 PHE A 6 12.113 17.247 5.246 1.00 0.00 C ATOM 51 CD2 PHE A 6 14.301 18.008 4.819 1.00 0.00 C ATOM 52 CE1 PHE A 6 12.087 17.998 6.451 1.00 0.00 C ATOM 53 CE2 PHE A 6 14.275 18.759 6.024 1.00 0.00 C ATOM 54 CZ PHE A 6 13.168 18.738 6.815 1.00 0.00 C ATOM 0 H PHE A 6 14.380 14.566 1.711 1.00 0.00 H new ATOM 0 HA PHE A 6 13.146 14.681 4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.169 16.684 2.620 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.423 16.784 2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 6 11.254 16.659 4.958 1.00 0.00 H new ATOM 0 HD2 PHE A 6 15.180 18.024 4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 6 11.208 17.981 7.079 1.00 0.00 H new ATOM 0 HE2 PHE A 6 15.134 19.347 6.313 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.148 19.309 7.732 1.00 0.00 H new ATOM 63 N GLU A 7 11.656 14.782 1.478 1.00 0.00 N ATOM 64 CA GLU A 7 10.460 14.372 0.762 1.00 0.00 C ATOM 65 C GLU A 7 9.211 14.712 1.579 1.00 0.00 C ATOM 66 O GLU A 7 9.301 15.374 2.611 1.00 0.00 O ATOM 67 CB GLU A 7 10.506 12.880 0.426 1.00 0.00 C ATOM 68 CG GLU A 7 11.239 12.639 -0.895 1.00 0.00 C ATOM 69 CD GLU A 7 12.610 13.320 -0.895 1.00 0.00 C ATOM 70 OE1 GLU A 7 13.534 12.734 -0.291 1.00 0.00 O ATOM 71 OE2 GLU A 7 12.701 14.411 -1.497 1.00 0.00 O ATOM 0 H GLU A 7 12.313 15.336 0.929 1.00 0.00 H new ATOM 0 HA GLU A 7 10.417 14.921 -0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.007 12.338 1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.492 12.487 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.361 11.568 -1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.640 13.020 -1.722 1.00 0.00 H new ATOM 76 N LYS A 8 8.074 14.242 1.085 1.00 0.00 N ATOM 77 CA LYS A 8 6.809 14.488 1.756 1.00 0.00 C ATOM 78 C LYS A 8 6.217 13.156 2.221 1.00 0.00 C ATOM 79 O LYS A 8 6.256 12.837 3.408 1.00 0.00 O ATOM 80 CB LYS A 8 5.873 15.296 0.854 1.00 0.00 C ATOM 81 CG LYS A 8 6.482 15.490 -0.536 1.00 0.00 C ATOM 82 CD LYS A 8 7.722 16.385 -0.472 1.00 0.00 C ATOM 83 CE LYS A 8 7.481 17.706 -1.203 1.00 0.00 C ATOM 84 NZ LYS A 8 8.613 18.635 -0.982 1.00 0.00 N ATOM 0 H LYS A 8 8.003 13.693 0.229 1.00 0.00 H new ATOM 0 HA LYS A 8 6.961 15.098 2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.915 14.784 0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.675 16.268 1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.750 14.521 -0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.742 15.934 -1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.979 16.583 0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.572 15.868 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.358 17.521 -2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.555 18.160 -0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.389 19.561 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.777 18.746 0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.469 18.252 -1.431 1.00 0.00 H new ATOM 94 N HIS A 9 5.681 12.416 1.262 1.00 0.00 N ATOM 95 CA HIS A 9 5.082 11.126 1.559 1.00 0.00 C ATOM 96 C HIS A 9 5.945 10.381 2.579 1.00 0.00 C ATOM 97 O HIS A 9 5.436 9.577 3.358 1.00 0.00 O ATOM 98 CB HIS A 9 4.856 10.323 0.276 1.00 0.00 C ATOM 99 CG HIS A 9 6.102 10.130 -0.555 1.00 0.00 C ATOM 100 ND1 HIS A 9 7.199 10.969 -0.469 1.00 0.00 N ATOM 101 CD2 HIS A 9 6.413 9.185 -1.488 1.00 0.00 C ATOM 102 CE1 HIS A 9 8.123 10.539 -1.316 1.00 0.00 C ATOM 103 NE2 HIS A 9 7.633 9.433 -1.947 1.00 0.00 N ATOM 0 H HIS A 9 5.649 12.685 0.279 1.00 0.00 H new ATOM 0 HA HIS A 9 4.098 11.273 2.005 1.00 0.00 H new ATOM 0 HB2 HIS A 9 4.451 9.345 0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 9 4.103 10.828 -0.329 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.774 8.372 -1.800 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.093 10.985 -1.478 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.124 8.887 -2.655 1.00 0.00 H new ATOM 110 N HIS A 10 7.236 10.675 2.541 1.00 0.00 N ATOM 111 CA HIS A 10 8.175 10.044 3.453 1.00 0.00 C ATOM 112 C HIS A 10 7.626 10.108 4.879 1.00 0.00 C ATOM 113 O HIS A 10 8.012 9.310 5.733 1.00 0.00 O ATOM 114 CB HIS A 10 9.564 10.672 3.323 1.00 0.00 C ATOM 115 CG HIS A 10 10.024 11.407 4.559 1.00 0.00 C ATOM 116 ND1 HIS A 10 9.499 12.493 5.198 1.00 0.00 N flip ATOM 117 CD2 HIS A 10 11.148 11.039 5.277 1.00 0.00 C flip ATOM 118 CE1 HIS A 10 10.261 12.771 6.249 1.00 0.00 C flip ATOM 119 NE2 HIS A 10 11.285 11.871 6.299 1.00 0.00 N flip ATOM 0 H HIS A 10 7.654 11.342 1.893 1.00 0.00 H new ATOM 0 HA HIS A 10 8.290 8.992 3.192 1.00 0.00 H new ATOM 0 HB2 HIS A 10 10.285 9.889 3.089 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.561 11.364 2.481 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.803 10.213 5.044 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.097 13.577 6.949 1.00 0.00 H new ATOM 0 HE2 HIS A 10 12.026 11.843 7.000 1.00 0.00 H new ATOM 126 N ARG A 11 6.735 11.063 5.094 1.00 0.00 N ATOM 127 CA ARG A 11 6.129 11.241 6.403 1.00 0.00 C ATOM 128 C ARG A 11 5.820 9.881 7.034 1.00 0.00 C ATOM 129 O ARG A 11 5.802 9.750 8.257 1.00 0.00 O ATOM 130 CB ARG A 11 4.836 12.055 6.306 1.00 0.00 C ATOM 131 CG ARG A 11 4.379 12.525 7.688 1.00 0.00 C ATOM 132 CD ARG A 11 5.327 13.588 8.246 1.00 0.00 C ATOM 133 NE ARG A 11 4.563 14.588 9.026 1.00 0.00 N ATOM 134 CZ ARG A 11 5.067 15.754 9.451 1.00 0.00 C ATOM 135 NH1 ARG A 11 6.339 16.075 9.175 1.00 0.00 N ATOM 136 NH2 ARG A 11 4.299 16.601 10.152 1.00 0.00 N ATOM 0 H ARG A 11 6.417 11.723 4.384 1.00 0.00 H new ATOM 0 HA ARG A 11 6.840 11.783 7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.993 12.917 5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.054 11.449 5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.370 12.931 7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.337 11.676 8.370 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.080 13.119 8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.857 14.079 7.430 1.00 0.00 H new ATOM 0 HE ARG A 11 3.592 14.376 9.254 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.923 15.431 8.641 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.723 16.963 9.499 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.331 16.357 10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.683 17.489 10.476 1.00 0.00 H new ATOM 147 N LYS A 12 5.586 8.904 6.171 1.00 0.00 N ATOM 148 CA LYS A 12 5.280 7.559 6.630 1.00 0.00 C ATOM 149 C LYS A 12 4.565 6.795 5.513 1.00 0.00 C ATOM 150 O LYS A 12 4.537 5.565 5.517 1.00 0.00 O ATOM 151 CB LYS A 12 4.495 7.606 7.942 1.00 0.00 C ATOM 152 CG LYS A 12 5.415 7.363 9.140 1.00 0.00 C ATOM 153 CD LYS A 12 4.876 8.052 10.395 1.00 0.00 C ATOM 154 CE LYS A 12 6.012 8.408 11.357 1.00 0.00 C ATOM 155 NZ LYS A 12 5.767 9.728 11.981 1.00 0.00 N ATOM 0 H LYS A 12 5.602 9.016 5.157 1.00 0.00 H new ATOM 0 HA LYS A 12 6.197 7.015 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.008 8.576 8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.707 6.853 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.508 6.292 9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.414 7.736 8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.336 8.956 10.114 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.163 7.397 10.896 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.095 7.644 12.130 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.960 8.423 10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.547 9.955 12.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.710 10.457 11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.872 9.701 12.510 1.00 0.00 H new ATOM 165 N TRP A 13 4.004 7.555 4.584 1.00 0.00 N ATOM 166 CA TRP A 13 3.292 6.966 3.463 1.00 0.00 C ATOM 167 C TRP A 13 4.317 6.274 2.563 1.00 0.00 C ATOM 168 O TRP A 13 4.121 5.128 2.158 1.00 0.00 O ATOM 169 CB TRP A 13 2.463 8.019 2.726 1.00 0.00 C ATOM 170 CG TRP A 13 1.176 7.473 2.104 1.00 0.00 C ATOM 171 CD1 TRP A 13 0.498 6.368 2.445 1.00 0.00 C ATOM 172 CD2 TRP A 13 0.436 8.055 1.010 1.00 0.00 C ATOM 173 NE1 TRP A 13 -0.621 6.197 1.656 1.00 0.00 N ATOM 174 CE2 TRP A 13 -0.660 7.255 0.755 1.00 0.00 C ATOM 175 CE3 TRP A 13 0.683 9.219 0.261 1.00 0.00 C ATOM 176 CZ2 TRP A 13 -1.594 7.533 -0.250 1.00 0.00 C ATOM 177 CZ3 TRP A 13 -0.260 9.482 -0.739 1.00 0.00 C ATOM 178 CH2 TRP A 13 -1.368 8.687 -1.009 1.00 0.00 C ATOM 0 H TRP A 13 4.028 8.575 4.585 1.00 0.00 H new ATOM 0 HA TRP A 13 2.575 6.222 3.809 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.208 8.818 3.422 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.074 8.463 1.940 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.791 5.696 3.238 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.295 5.435 1.722 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.533 9.860 0.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.444 6.891 -0.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -0.117 10.365 -1.344 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -2.051 8.958 -1.800 1.00 0.00 H new ATOM 188 N ASP A 14 5.388 6.997 2.274 1.00 0.00 N ATOM 189 CA ASP A 14 6.445 6.468 1.429 1.00 0.00 C ATOM 190 C ASP A 14 7.187 5.360 2.181 1.00 0.00 C ATOM 191 O ASP A 14 7.699 4.424 1.569 1.00 0.00 O ATOM 192 CB ASP A 14 7.458 7.554 1.067 1.00 0.00 C ATOM 193 CG ASP A 14 8.111 7.398 -0.308 1.00 0.00 C ATOM 194 OD1 ASP A 14 7.440 6.824 -1.192 1.00 0.00 O ATOM 195 OD2 ASP A 14 9.265 7.859 -0.444 1.00 0.00 O ATOM 0 H ASP A 14 5.547 7.947 2.611 1.00 0.00 H new ATOM 0 HA ASP A 14 5.987 6.085 0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.960 8.523 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.241 7.566 1.825 1.00 0.00 H new ATOM 199 N ILE A 15 7.222 5.504 3.497 1.00 0.00 N ATOM 200 CA ILE A 15 7.893 4.528 4.340 1.00 0.00 C ATOM 201 C ILE A 15 7.055 3.249 4.397 1.00 0.00 C ATOM 202 O ILE A 15 7.597 2.145 4.357 1.00 0.00 O ATOM 203 CB ILE A 15 8.198 5.126 5.714 1.00 0.00 C ATOM 204 CG1 ILE A 15 8.855 6.501 5.582 1.00 0.00 C ATOM 205 CG2 ILE A 15 9.042 4.166 6.555 1.00 0.00 C ATOM 206 CD1 ILE A 15 10.294 6.375 5.079 1.00 0.00 C ATOM 0 H ILE A 15 6.797 6.282 4.001 1.00 0.00 H new ATOM 0 HA ILE A 15 8.860 4.258 3.915 1.00 0.00 H new ATOM 0 HB ILE A 15 7.254 5.270 6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.278 7.119 4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.846 7.006 6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.245 4.616 7.527 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.500 3.231 6.694 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.984 3.967 6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.738 7.367 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.874 5.777 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.297 5.891 4.102 1.00 0.00 H new ATOM 217 N LEU A 16 5.747 3.440 4.490 1.00 0.00 N ATOM 218 CA LEU A 16 4.830 2.315 4.552 1.00 0.00 C ATOM 219 C LEU A 16 4.695 1.693 3.162 1.00 0.00 C ATOM 220 O LEU A 16 4.522 0.482 3.033 1.00 0.00 O ATOM 221 CB LEU A 16 3.496 2.747 5.165 1.00 0.00 C ATOM 222 CG LEU A 16 2.548 1.616 5.574 1.00 0.00 C ATOM 223 CD1 LEU A 16 1.542 1.315 4.461 1.00 0.00 C ATOM 224 CD2 LEU A 16 3.331 0.370 5.992 1.00 0.00 C ATOM 0 H LEU A 16 5.301 4.357 4.524 1.00 0.00 H new ATOM 0 HA LEU A 16 5.222 1.540 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.703 3.357 6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.980 3.386 4.449 1.00 0.00 H new ATOM 0 HG LEU A 16 1.978 1.944 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.881 0.508 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.952 2.207 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.076 1.015 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.635 -0.418 6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.944 0.028 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.973 0.611 6.839 1.00 0.00 H new ATOM 235 N LEU A 17 4.782 2.549 2.155 1.00 0.00 N ATOM 236 CA LEU A 17 4.672 2.098 0.778 1.00 0.00 C ATOM 237 C LEU A 17 6.014 1.517 0.328 1.00 0.00 C ATOM 238 O LEU A 17 6.077 0.781 -0.656 1.00 0.00 O ATOM 239 CB LEU A 17 4.161 3.229 -0.117 1.00 0.00 C ATOM 240 CG LEU A 17 4.362 3.036 -1.622 1.00 0.00 C ATOM 241 CD1 LEU A 17 5.788 3.406 -2.037 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.992 1.614 -2.047 1.00 0.00 C ATOM 0 H LEU A 17 4.927 3.553 2.265 1.00 0.00 H new ATOM 0 HA LEU A 17 3.934 1.300 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.096 3.363 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.657 4.153 0.180 1.00 0.00 H new ATOM 0 HG LEU A 17 3.688 3.714 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.904 3.260 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.979 4.450 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.498 2.772 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.144 1.504 -3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.622 0.900 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.946 1.423 -1.807 1.00 0.00 H new ATOM 253 N GLU A 18 7.054 1.869 1.070 1.00 0.00 N ATOM 254 CA GLU A 18 8.391 1.391 0.759 1.00 0.00 C ATOM 255 C GLU A 18 8.727 0.166 1.612 1.00 0.00 C ATOM 256 O GLU A 18 9.695 -0.541 1.334 1.00 0.00 O ATOM 257 CB GLU A 18 9.428 2.498 0.957 1.00 0.00 C ATOM 258 CG GLU A 18 9.345 3.534 -0.166 1.00 0.00 C ATOM 259 CD GLU A 18 10.270 3.159 -1.327 1.00 0.00 C ATOM 260 OE1 GLU A 18 9.806 2.389 -2.195 1.00 0.00 O ATOM 261 OE2 GLU A 18 11.419 3.650 -1.319 1.00 0.00 O ATOM 0 H GLU A 18 6.998 2.479 1.885 1.00 0.00 H new ATOM 0 HA GLU A 18 8.417 1.098 -0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.266 2.985 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.428 2.064 0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.318 3.607 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.619 4.516 0.219 1.00 0.00 H new ATOM 266 N LYS A 19 7.910 -0.049 2.633 1.00 0.00 N ATOM 267 CA LYS A 19 8.109 -1.175 3.527 1.00 0.00 C ATOM 268 C LYS A 19 7.076 -2.258 3.214 1.00 0.00 C ATOM 269 O LYS A 19 7.425 -3.332 2.725 1.00 0.00 O ATOM 270 CB LYS A 19 8.092 -0.712 4.986 1.00 0.00 C ATOM 271 CG LYS A 19 9.070 -1.528 5.832 1.00 0.00 C ATOM 272 CD LYS A 19 10.239 -0.663 6.307 1.00 0.00 C ATOM 273 CE LYS A 19 11.044 -1.376 7.395 1.00 0.00 C ATOM 274 NZ LYS A 19 12.491 -1.322 7.088 1.00 0.00 N ATOM 0 H LYS A 19 7.108 0.539 2.860 1.00 0.00 H new ATOM 0 HA LYS A 19 9.093 -1.617 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.354 0.345 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.085 -0.811 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.549 -1.947 6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.448 -2.368 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.889 -0.429 5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.862 0.285 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.854 -0.909 8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.721 -2.414 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.023 -1.810 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.670 -1.788 6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.798 -0.330 7.036 1.00 0.00 H new ATOM 284 N SER A 20 5.823 -1.940 3.507 1.00 0.00 N ATOM 285 CA SER A 20 4.736 -2.872 3.262 1.00 0.00 C ATOM 286 C SER A 20 4.790 -3.371 1.818 1.00 0.00 C ATOM 287 O SER A 20 5.429 -4.382 1.529 1.00 0.00 O ATOM 288 CB SER A 20 3.380 -2.225 3.551 1.00 0.00 C ATOM 289 OG SER A 20 3.163 -2.040 4.946 1.00 0.00 O ATOM 0 H SER A 20 5.537 -1.049 3.912 1.00 0.00 H new ATOM 0 HA SER A 20 4.854 -3.720 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.323 -1.262 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.586 -2.849 3.140 1.00 0.00 H new ATOM 0 HG SER A 20 4.026 -1.999 5.409 1.00 0.00 H new ATOM 294 N THR A 21 4.111 -2.640 0.946 1.00 0.00 N ATOM 295 CA THR A 21 4.074 -2.995 -0.461 1.00 0.00 C ATOM 296 C THR A 21 5.444 -2.771 -1.105 1.00 0.00 C ATOM 297 O THR A 21 5.616 -3.003 -2.300 1.00 0.00 O ATOM 298 CB THR A 21 2.953 -2.190 -1.122 1.00 0.00 C ATOM 299 OG1 THR A 21 3.003 -0.924 -0.470 1.00 0.00 O ATOM 300 CG2 THR A 21 1.563 -2.731 -0.781 1.00 0.00 C ATOM 0 H THR A 21 3.582 -1.802 1.188 1.00 0.00 H new ATOM 0 HA THR A 21 3.857 -4.055 -0.596 1.00 0.00 H new ATOM 0 HB THR A 21 3.090 -2.199 -2.203 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.217 -0.396 -0.721 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.805 -2.124 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.480 -3.763 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.412 -2.692 0.298 1.00 0.00 H new ATOM 308 N GLY A 22 6.381 -2.325 -0.283 1.00 0.00 N ATOM 309 CA GLY A 22 7.730 -2.067 -0.757 1.00 0.00 C ATOM 310 C GLY A 22 8.517 -3.371 -0.908 1.00 0.00 C ATOM 311 O GLY A 22 9.562 -3.398 -1.557 1.00 0.00 O ATOM 0 H GLY A 22 6.233 -2.136 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.690 -1.549 -1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.244 -1.406 -0.059 1.00 0.00 H new ATOM 315 N VAL A 23 7.985 -4.419 -0.296 1.00 0.00 N ATOM 316 CA VAL A 23 8.624 -5.723 -0.355 1.00 0.00 C ATOM 317 C VAL A 23 7.604 -6.765 -0.818 1.00 0.00 C ATOM 318 O VAL A 23 7.872 -7.536 -1.739 1.00 0.00 O ATOM 319 CB VAL A 23 9.250 -6.059 1.000 1.00 0.00 C ATOM 320 CG1 VAL A 23 10.565 -5.304 1.199 1.00 0.00 C ATOM 321 CG2 VAL A 23 8.274 -5.771 2.142 1.00 0.00 C ATOM 0 H VAL A 23 7.119 -4.392 0.243 1.00 0.00 H new ATOM 0 HA VAL A 23 9.436 -5.719 -1.082 1.00 0.00 H new ATOM 0 HB VAL A 23 9.472 -7.126 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.989 -5.561 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.266 -5.581 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.378 -4.231 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.744 -6.019 3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.006 -4.715 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.375 -6.374 2.013 1.00 0.00 H new ATOM 331 N MET A 24 6.456 -6.757 -0.157 1.00 0.00 N ATOM 332 CA MET A 24 5.394 -7.692 -0.490 1.00 0.00 C ATOM 333 C MET A 24 5.637 -9.054 0.166 1.00 0.00 C ATOM 334 O MET A 24 5.123 -10.071 -0.297 1.00 0.00 O ATOM 335 CB MET A 24 5.322 -7.864 -2.009 1.00 0.00 C ATOM 336 CG MET A 24 3.969 -8.441 -2.432 1.00 0.00 C ATOM 337 SD MET A 24 4.202 -9.681 -3.694 1.00 0.00 S ATOM 338 CE MET A 24 5.017 -10.948 -2.736 1.00 0.00 C ATOM 0 H MET A 24 6.238 -6.118 0.608 1.00 0.00 H new ATOM 0 HA MET A 24 4.452 -7.291 -0.115 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.479 -6.901 -2.495 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.123 -8.524 -2.342 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.465 -8.878 -1.570 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.326 -7.645 -2.807 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.285 -11.781 -3.387 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.919 -10.537 -2.282 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.346 -11.301 -1.953 1.00 0.00 H new ATOM 346 N GLU A 25 6.421 -9.028 1.235 1.00 0.00 N ATOM 347 CA GLU A 25 6.738 -10.247 1.959 1.00 0.00 C ATOM 348 C GLU A 25 7.702 -9.945 3.109 1.00 0.00 C ATOM 349 O GLU A 25 7.559 -10.491 4.202 1.00 0.00 O ATOM 350 CB GLU A 25 7.317 -11.307 1.021 1.00 0.00 C ATOM 351 CG GLU A 25 8.358 -10.697 0.080 1.00 0.00 C ATOM 352 CD GLU A 25 9.033 -11.778 -0.766 1.00 0.00 C ATOM 353 OE1 GLU A 25 9.507 -12.761 -0.157 1.00 0.00 O ATOM 354 OE2 GLU A 25 9.060 -11.596 -2.002 1.00 0.00 O ATOM 0 H GLU A 25 6.845 -8.182 1.616 1.00 0.00 H new ATOM 0 HA GLU A 25 5.816 -10.648 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.774 -12.105 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.515 -11.759 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.880 -9.966 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.110 -10.163 0.661 1.00 0.00 H new ATOM 359 N ALA A 26 8.661 -9.077 2.822 1.00 0.00 N ATOM 360 CA ALA A 26 9.648 -8.697 3.818 1.00 0.00 C ATOM 361 C ALA A 26 8.932 -8.201 5.076 1.00 0.00 C ATOM 362 O ALA A 26 9.515 -8.183 6.159 1.00 0.00 O ATOM 363 CB ALA A 26 10.588 -7.642 3.229 1.00 0.00 C ATOM 0 H ALA A 26 8.775 -8.626 1.914 1.00 0.00 H new ATOM 0 HA ALA A 26 10.257 -9.555 4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.329 -7.357 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.094 -8.053 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.012 -6.764 2.936 1.00 0.00 H new ATOM 369 N MET A 27 7.679 -7.813 4.891 1.00 0.00 N ATOM 370 CA MET A 27 6.878 -7.319 5.998 1.00 0.00 C ATOM 371 C MET A 27 5.387 -7.351 5.653 1.00 0.00 C ATOM 372 O MET A 27 4.565 -6.801 6.384 1.00 0.00 O ATOM 373 CB MET A 27 7.294 -5.885 6.330 1.00 0.00 C ATOM 374 CG MET A 27 6.855 -4.917 5.229 1.00 0.00 C ATOM 375 SD MET A 27 6.511 -3.312 5.928 1.00 0.00 S ATOM 376 CE MET A 27 5.186 -3.739 7.047 1.00 0.00 C ATOM 0 H MET A 27 7.199 -7.831 3.991 1.00 0.00 H new ATOM 0 HA MET A 27 7.047 -7.964 6.860 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.852 -5.585 7.280 1.00 0.00 H new ATOM 0 HB3 MET A 27 8.376 -5.836 6.452 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.637 -4.834 4.474 1.00 0.00 H new ATOM 0 HG3 MET A 27 5.967 -5.302 4.728 1.00 0.00 H new ATOM 0 HE1 MET A 27 4.640 -2.837 7.326 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.507 -4.437 6.557 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.601 -4.203 7.942 1.00 0.00 H new ATOM 384 N LYS A 28 5.085 -8.001 4.539 1.00 0.00 N ATOM 385 CA LYS A 28 3.708 -8.112 4.088 1.00 0.00 C ATOM 386 C LYS A 28 3.102 -9.409 4.629 1.00 0.00 C ATOM 387 O LYS A 28 1.890 -9.611 4.552 1.00 0.00 O ATOM 388 CB LYS A 28 3.631 -7.986 2.565 1.00 0.00 C ATOM 389 CG LYS A 28 2.403 -7.177 2.142 1.00 0.00 C ATOM 390 CD LYS A 28 2.609 -5.687 2.413 1.00 0.00 C ATOM 391 CE LYS A 28 1.395 -4.874 1.959 1.00 0.00 C ATOM 392 NZ LYS A 28 0.502 -4.590 3.105 1.00 0.00 N ATOM 0 H LYS A 28 5.770 -8.456 3.935 1.00 0.00 H new ATOM 0 HA LYS A 28 3.110 -7.291 4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.534 -7.505 2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.589 -8.978 2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.208 -7.334 1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.526 -7.531 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.780 -5.528 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.500 -5.339 1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.725 -3.939 1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.849 -5.423 1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.354 -5.176 3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.996 -4.810 3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.236 -3.585 3.097 1.00 0.00 H new ATOM 402 N VAL A 29 3.971 -10.252 5.164 1.00 0.00 N ATOM 403 CA VAL A 29 3.536 -11.524 5.719 1.00 0.00 C ATOM 404 C VAL A 29 3.484 -11.419 7.244 1.00 0.00 C ATOM 405 O VAL A 29 3.756 -12.391 7.946 1.00 0.00 O ATOM 406 CB VAL A 29 4.449 -12.649 5.227 1.00 0.00 C ATOM 407 CG1 VAL A 29 5.715 -12.740 6.082 1.00 0.00 C ATOM 408 CG2 VAL A 29 3.707 -13.986 5.202 1.00 0.00 C ATOM 0 H VAL A 29 4.975 -10.081 5.226 1.00 0.00 H new ATOM 0 HA VAL A 29 2.530 -11.767 5.376 1.00 0.00 H new ATOM 0 HB VAL A 29 4.750 -12.414 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.347 -13.547 5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.260 -11.798 6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.441 -12.940 7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.379 -14.768 4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.363 -14.230 6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.850 -13.914 4.532 1.00 0.00 H new ATOM 418 N THR A 30 3.134 -10.230 7.713 1.00 0.00 N ATOM 419 CA THR A 30 3.044 -9.986 9.142 1.00 0.00 C ATOM 420 C THR A 30 1.714 -10.510 9.689 1.00 0.00 C ATOM 421 O THR A 30 0.967 -9.770 10.327 1.00 0.00 O ATOM 422 CB THR A 30 3.251 -8.489 9.380 1.00 0.00 C ATOM 423 OG1 THR A 30 2.698 -7.873 8.220 1.00 0.00 O ATOM 424 CG2 THR A 30 4.727 -8.089 9.346 1.00 0.00 C ATOM 0 H THR A 30 2.909 -9.425 7.128 1.00 0.00 H new ATOM 0 HA THR A 30 3.819 -10.526 9.685 1.00 0.00 H new ATOM 0 HB THR A 30 2.822 -8.212 10.343 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.422 -7.549 7.645 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.818 -7.017 9.520 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.269 -8.630 10.122 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.148 -8.335 8.371 1.00 0.00 H new ATOM 432 N SER A 31 1.460 -11.783 9.420 1.00 0.00 N ATOM 433 CA SER A 31 0.233 -12.413 9.877 1.00 0.00 C ATOM 434 C SER A 31 -0.924 -12.042 8.948 1.00 0.00 C ATOM 435 O SER A 31 -2.033 -12.552 9.098 1.00 0.00 O ATOM 436 CB SER A 31 -0.090 -12.009 11.317 1.00 0.00 C ATOM 437 OG SER A 31 -0.683 -13.078 12.050 1.00 0.00 O ATOM 0 H SER A 31 2.083 -12.394 8.892 1.00 0.00 H new ATOM 0 HA SER A 31 0.374 -13.494 9.855 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.824 -11.689 11.818 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.766 -11.154 11.311 1.00 0.00 H new ATOM 0 HG SER A 31 -0.873 -12.782 12.965 1.00 0.00 H new ATOM 442 N GLU A 32 -0.627 -11.155 8.011 1.00 0.00 N ATOM 443 CA GLU A 32 -1.629 -10.709 7.058 1.00 0.00 C ATOM 444 C GLU A 32 -2.615 -9.753 7.733 1.00 0.00 C ATOM 445 O GLU A 32 -2.821 -8.634 7.264 1.00 0.00 O ATOM 446 CB GLU A 32 -2.360 -11.898 6.433 1.00 0.00 C ATOM 447 CG GLU A 32 -3.843 -11.891 6.810 1.00 0.00 C ATOM 448 CD GLU A 32 -4.625 -12.915 5.984 1.00 0.00 C ATOM 449 OE1 GLU A 32 -4.226 -14.099 6.025 1.00 0.00 O ATOM 450 OE2 GLU A 32 -5.602 -12.492 5.331 1.00 0.00 O ATOM 0 H GLU A 32 0.294 -10.733 7.891 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.124 -10.172 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.257 -11.863 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.901 -12.828 6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.953 -12.115 7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.258 -10.896 6.649 1.00 0.00 H new ATOM 455 N GLU A 33 -3.199 -10.228 8.823 1.00 0.00 N ATOM 456 CA GLU A 33 -4.158 -9.430 9.567 1.00 0.00 C ATOM 457 C GLU A 33 -3.519 -8.115 10.017 1.00 0.00 C ATOM 458 O GLU A 33 -4.150 -7.061 9.955 1.00 0.00 O ATOM 459 CB GLU A 33 -4.708 -10.209 10.764 1.00 0.00 C ATOM 460 CG GLU A 33 -5.837 -11.149 10.334 1.00 0.00 C ATOM 461 CD GLU A 33 -6.747 -11.489 11.515 1.00 0.00 C ATOM 462 OE1 GLU A 33 -6.202 -11.968 12.533 1.00 0.00 O ATOM 463 OE2 GLU A 33 -7.968 -11.262 11.374 1.00 0.00 O ATOM 0 H GLU A 33 -3.026 -11.156 9.209 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.996 -9.198 8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.907 -10.785 11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.077 -9.513 11.517 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.422 -10.682 9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.415 -12.065 9.920 1.00 0.00 H new ATOM 468 N LYS A 34 -2.274 -8.220 10.459 1.00 0.00 N ATOM 469 CA LYS A 34 -1.542 -7.052 10.918 1.00 0.00 C ATOM 470 C LYS A 34 -0.760 -6.452 9.748 1.00 0.00 C ATOM 471 O LYS A 34 -0.391 -5.279 9.779 1.00 0.00 O ATOM 472 CB LYS A 34 -0.669 -7.406 12.123 1.00 0.00 C ATOM 473 CG LYS A 34 -1.486 -7.384 13.417 1.00 0.00 C ATOM 474 CD LYS A 34 -1.347 -8.706 14.175 1.00 0.00 C ATOM 475 CE LYS A 34 -1.059 -8.461 15.658 1.00 0.00 C ATOM 476 NZ LYS A 34 -1.827 -9.405 16.498 1.00 0.00 N ATOM 0 H LYS A 34 -1.754 -9.096 10.509 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.232 -6.284 11.268 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.231 -8.394 11.982 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.157 -6.699 12.198 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.151 -6.561 14.049 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.535 -7.202 13.186 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.263 -9.287 14.070 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.542 -9.297 13.738 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.007 -8.578 15.851 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.320 -7.436 15.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.620 -9.225 17.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.844 -9.274 16.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.558 -10.381 16.259 1.00 0.00 H new ATOM 486 N GLU A 35 -0.530 -7.284 8.743 1.00 0.00 N ATOM 487 CA GLU A 35 0.202 -6.851 7.564 1.00 0.00 C ATOM 488 C GLU A 35 -0.605 -5.802 6.795 1.00 0.00 C ATOM 489 O GLU A 35 -0.058 -5.082 5.962 1.00 0.00 O ATOM 490 CB GLU A 35 0.551 -8.041 6.668 1.00 0.00 C ATOM 491 CG GLU A 35 -0.360 -8.088 5.441 1.00 0.00 C ATOM 492 CD GLU A 35 0.042 -7.024 4.417 1.00 0.00 C ATOM 493 OE1 GLU A 35 1.166 -6.497 4.559 1.00 0.00 O ATOM 494 OE2 GLU A 35 -0.785 -6.762 3.517 1.00 0.00 O ATOM 0 H GLU A 35 -0.838 -8.256 8.720 1.00 0.00 H new ATOM 0 HA GLU A 35 1.138 -6.396 7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.591 -7.969 6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.454 -8.968 7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.308 -9.076 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.395 -7.932 5.746 1.00 0.00 H new ATOM 499 N GLN A 36 -1.893 -5.752 7.101 1.00 0.00 N ATOM 500 CA GLN A 36 -2.781 -4.804 6.448 1.00 0.00 C ATOM 501 C GLN A 36 -3.430 -3.885 7.485 1.00 0.00 C ATOM 502 O GLN A 36 -3.712 -2.722 7.198 1.00 0.00 O ATOM 503 CB GLN A 36 -3.842 -5.529 5.617 1.00 0.00 C ATOM 504 CG GLN A 36 -4.796 -6.318 6.515 1.00 0.00 C ATOM 505 CD GLN A 36 -6.212 -6.331 5.932 1.00 0.00 C ATOM 506 OE1 GLN A 36 -6.422 -6.162 4.743 1.00 0.00 O ATOM 507 NE2 GLN A 36 -7.165 -6.540 6.835 1.00 0.00 N ATOM 0 H GLN A 36 -2.343 -6.352 7.792 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.190 -4.191 5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.406 -4.805 5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.358 -6.205 4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.435 -7.340 6.626 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.813 -5.876 7.511 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.918 -6.674 7.816 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.143 -6.566 6.547 1.00 0.00 H new ATOM 514 N LEU A 37 -3.648 -4.441 8.667 1.00 0.00 N ATOM 515 CA LEU A 37 -4.260 -3.685 9.747 1.00 0.00 C ATOM 516 C LEU A 37 -3.235 -2.703 10.320 1.00 0.00 C ATOM 517 O LEU A 37 -3.391 -1.490 10.188 1.00 0.00 O ATOM 518 CB LEU A 37 -4.856 -4.630 10.792 1.00 0.00 C ATOM 519 CG LEU A 37 -6.081 -5.432 10.349 1.00 0.00 C ATOM 520 CD1 LEU A 37 -6.394 -6.550 11.345 1.00 0.00 C ATOM 521 CD2 LEU A 37 -7.284 -4.515 10.121 1.00 0.00 C ATOM 0 H LEU A 37 -3.412 -5.405 8.901 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.095 -3.094 9.372 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.081 -5.330 11.104 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.128 -4.044 11.670 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.852 -5.906 9.394 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.269 -7.105 11.006 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.541 -7.225 11.414 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.595 -6.118 12.325 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.141 -5.111 9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.525 -3.993 11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.045 -3.787 9.346 1.00 0.00 H new ATOM 532 N SER A 38 -2.210 -3.265 10.945 1.00 0.00 N ATOM 533 CA SER A 38 -1.161 -2.453 11.539 1.00 0.00 C ATOM 534 C SER A 38 -0.385 -1.718 10.443 1.00 0.00 C ATOM 535 O SER A 38 0.364 -0.784 10.728 1.00 0.00 O ATOM 536 CB SER A 38 -0.211 -3.311 12.378 1.00 0.00 C ATOM 537 OG SER A 38 -0.794 -3.692 13.621 1.00 0.00 O ATOM 0 H SER A 38 -2.084 -4.271 11.053 1.00 0.00 H new ATOM 0 HA SER A 38 -1.626 -1.721 12.199 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.062 -4.204 11.817 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.709 -2.757 12.564 1.00 0.00 H new ATOM 0 HG SER A 38 -0.158 -4.240 14.127 1.00 0.00 H new ATOM 542 N THR A 39 -0.590 -2.168 9.214 1.00 0.00 N ATOM 543 CA THR A 39 0.081 -1.565 8.075 1.00 0.00 C ATOM 544 C THR A 39 -0.816 -0.509 7.426 1.00 0.00 C ATOM 545 O THR A 39 -0.349 0.303 6.628 1.00 0.00 O ATOM 546 CB THR A 39 0.488 -2.686 7.118 1.00 0.00 C ATOM 547 OG1 THR A 39 1.879 -2.870 7.372 1.00 0.00 O ATOM 548 CG2 THR A 39 0.431 -2.255 5.651 1.00 0.00 C ATOM 0 H THR A 39 -1.211 -2.943 8.982 1.00 0.00 H new ATOM 0 HA THR A 39 0.983 -1.036 8.382 1.00 0.00 H new ATOM 0 HB THR A 39 -0.165 -3.546 7.268 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.395 -2.592 6.586 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.730 -3.088 5.015 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.586 -1.953 5.400 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.109 -1.416 5.492 1.00 0.00 H new ATOM 556 N ALA A 40 -2.089 -0.552 7.793 1.00 0.00 N ATOM 557 CA ALA A 40 -3.055 0.391 7.256 1.00 0.00 C ATOM 558 C ALA A 40 -3.696 1.167 8.408 1.00 0.00 C ATOM 559 O ALA A 40 -4.631 1.939 8.196 1.00 0.00 O ATOM 560 CB ALA A 40 -4.087 -0.359 6.412 1.00 0.00 C ATOM 0 H ALA A 40 -2.473 -1.225 8.456 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.565 1.114 6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.811 0.349 6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.584 -0.870 5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.602 -1.091 7.033 1.00 0.00 H new ATOM 566 N ILE A 41 -3.170 0.937 9.602 1.00 0.00 N ATOM 567 CA ILE A 41 -3.679 1.604 10.786 1.00 0.00 C ATOM 568 C ILE A 41 -2.510 2.193 11.578 1.00 0.00 C ATOM 569 O ILE A 41 -2.578 3.331 12.041 1.00 0.00 O ATOM 570 CB ILE A 41 -4.558 0.653 11.602 1.00 0.00 C ATOM 571 CG1 ILE A 41 -5.867 1.330 12.010 1.00 0.00 C ATOM 572 CG2 ILE A 41 -3.795 0.104 12.810 1.00 0.00 C ATOM 573 CD1 ILE A 41 -6.937 1.150 10.932 1.00 0.00 C ATOM 0 H ILE A 41 -2.395 0.297 9.774 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.325 2.436 10.505 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.819 -0.197 10.972 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.220 0.909 12.952 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.693 2.392 12.181 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.441 -0.569 13.373 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.915 -0.440 12.468 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.485 0.930 13.450 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.858 1.641 11.248 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.591 1.593 9.998 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.126 0.087 10.781 1.00 0.00 H new ATOM 584 N ASP A 42 -1.463 1.391 11.709 1.00 0.00 N ATOM 585 CA ASP A 42 -0.281 1.818 12.438 1.00 0.00 C ATOM 586 C ASP A 42 0.548 2.752 11.553 1.00 0.00 C ATOM 587 O ASP A 42 1.622 3.200 11.951 1.00 0.00 O ATOM 588 CB ASP A 42 0.597 0.622 12.813 1.00 0.00 C ATOM 589 CG ASP A 42 1.243 0.703 14.197 1.00 0.00 C ATOM 590 OD1 ASP A 42 1.215 1.813 14.772 1.00 0.00 O ATOM 591 OD2 ASP A 42 1.751 -0.346 14.649 1.00 0.00 O ATOM 0 H ASP A 42 -1.409 0.449 11.323 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.609 2.324 13.346 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.008 -0.283 12.763 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.385 0.520 12.066 1.00 0.00 H new ATOM 595 N ARG A 43 0.017 3.019 10.369 1.00 0.00 N ATOM 596 CA ARG A 43 0.693 3.892 9.425 1.00 0.00 C ATOM 597 C ARG A 43 -0.287 4.922 8.858 1.00 0.00 C ATOM 598 O ARG A 43 0.058 6.093 8.704 1.00 0.00 O ATOM 599 CB ARG A 43 1.302 3.090 8.273 1.00 0.00 C ATOM 600 CG ARG A 43 2.681 2.547 8.652 1.00 0.00 C ATOM 601 CD ARG A 43 2.572 1.138 9.238 1.00 0.00 C ATOM 602 NE ARG A 43 3.844 0.763 9.895 1.00 0.00 N ATOM 603 CZ ARG A 43 4.073 -0.428 10.466 1.00 0.00 C ATOM 604 NH1 ARG A 43 3.117 -1.367 10.463 1.00 0.00 N ATOM 605 NH2 ARG A 43 5.258 -0.680 11.038 1.00 0.00 N ATOM 0 H ARG A 43 -0.874 2.646 10.042 1.00 0.00 H new ATOM 0 HA ARG A 43 1.493 4.403 9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.641 2.264 8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.387 3.723 7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.324 2.530 7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.151 3.211 9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.755 1.097 9.959 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.337 0.424 8.449 1.00 0.00 H new ATOM 0 HE ARG A 43 4.594 1.454 9.915 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.215 -1.175 10.026 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.291 -2.273 10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.986 0.034 11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.432 -1.586 11.472 1.00 0.00 H new ATOM 616 N MET A 44 -1.489 4.448 8.564 1.00 0.00 N ATOM 617 CA MET A 44 -2.520 5.314 8.017 1.00 0.00 C ATOM 618 C MET A 44 -2.927 6.388 9.029 1.00 0.00 C ATOM 619 O MET A 44 -3.362 7.473 8.645 1.00 0.00 O ATOM 620 CB MET A 44 -3.744 4.475 7.643 1.00 0.00 C ATOM 621 CG MET A 44 -4.855 4.631 8.685 1.00 0.00 C ATOM 622 SD MET A 44 -5.782 6.123 8.370 1.00 0.00 S ATOM 623 CE MET A 44 -7.213 5.821 9.393 1.00 0.00 C ATOM 0 H MET A 44 -1.772 3.477 8.694 1.00 0.00 H new ATOM 0 HA MET A 44 -2.122 5.808 7.131 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.113 4.780 6.664 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.460 3.426 7.564 1.00 0.00 H new ATOM 0 HG2 MET A 44 -5.519 3.767 8.653 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.424 4.665 9.686 1.00 0.00 H new ATOM 0 HE1 MET A 44 -7.901 6.662 9.313 1.00 0.00 H new ATOM 0 HE2 MET A 44 -7.712 4.911 9.061 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.900 5.705 10.431 1.00 0.00 H new ATOM 631 N ASN A 45 -2.771 6.048 10.300 1.00 0.00 N ATOM 632 CA ASN A 45 -3.116 6.970 11.368 1.00 0.00 C ATOM 633 C ASN A 45 -2.600 8.367 11.018 1.00 0.00 C ATOM 634 O ASN A 45 -3.319 9.168 10.424 1.00 0.00 O ATOM 635 CB ASN A 45 -2.474 6.547 12.690 1.00 0.00 C ATOM 636 CG ASN A 45 -3.493 5.859 13.601 1.00 0.00 C ATOM 637 OD1 ASN A 45 -4.390 6.686 14.130 1.00 0.00 O flip ATOM 638 ND2 ASN A 45 -3.468 4.657 13.808 1.00 0.00 N flip ATOM 0 H ASN A 45 -2.410 5.147 10.614 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.201 6.968 11.477 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.642 5.871 12.494 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.062 7.421 13.194 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.751 4.079 13.370 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.164 4.230 14.419 1.00 0.00 H new ATOM 644 N GLU A 46 -1.356 8.617 11.401 1.00 0.00 N ATOM 645 CA GLU A 46 -0.735 9.902 11.134 1.00 0.00 C ATOM 646 C GLU A 46 0.048 9.852 9.821 1.00 0.00 C ATOM 647 O GLU A 46 0.412 10.890 9.270 1.00 0.00 O ATOM 648 CB GLU A 46 0.168 10.326 12.295 1.00 0.00 C ATOM 649 CG GLU A 46 -0.605 11.168 13.312 1.00 0.00 C ATOM 650 CD GLU A 46 -0.083 10.930 14.731 1.00 0.00 C ATOM 651 OE1 GLU A 46 0.258 9.764 15.022 1.00 0.00 O ATOM 652 OE2 GLU A 46 -0.036 11.921 15.491 1.00 0.00 O ATOM 0 H GLU A 46 -0.762 7.951 11.894 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.522 10.650 11.036 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.576 9.442 12.785 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.014 10.897 11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.513 12.224 13.059 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.665 10.920 13.264 1.00 0.00 H new ATOM 657 N GLY A 47 0.287 8.633 9.358 1.00 0.00 N ATOM 658 CA GLY A 47 1.020 8.433 8.119 1.00 0.00 C ATOM 659 C GLY A 47 0.170 8.827 6.909 1.00 0.00 C ATOM 660 O GLY A 47 0.682 9.392 5.944 1.00 0.00 O ATOM 0 H GLY A 47 -0.014 7.774 9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.935 9.026 8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.318 7.388 8.034 1.00 0.00 H new ATOM 664 N LEU A 48 -1.113 8.513 7.000 1.00 0.00 N ATOM 665 CA LEU A 48 -2.040 8.826 5.925 1.00 0.00 C ATOM 666 C LEU A 48 -2.576 10.245 6.118 1.00 0.00 C ATOM 667 O LEU A 48 -2.549 11.054 5.192 1.00 0.00 O ATOM 668 CB LEU A 48 -3.134 7.761 5.834 1.00 0.00 C ATOM 669 CG LEU A 48 -3.027 6.789 4.658 1.00 0.00 C ATOM 670 CD1 LEU A 48 -1.754 5.947 4.757 1.00 0.00 C ATOM 671 CD2 LEU A 48 -4.282 5.918 4.550 1.00 0.00 C ATOM 0 H LEU A 48 -1.534 8.044 7.802 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.529 8.806 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.129 7.184 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.099 8.264 5.777 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.958 7.371 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.702 5.264 3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.883 6.602 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.768 5.374 5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.180 5.236 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.406 5.343 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.154 6.554 4.399 1.00 0.00 H new ATOM 682 N ASP A 49 -3.052 10.505 7.326 1.00 0.00 N ATOM 683 CA ASP A 49 -3.595 11.812 7.653 1.00 0.00 C ATOM 684 C ASP A 49 -2.565 12.888 7.304 1.00 0.00 C ATOM 685 O ASP A 49 -2.886 13.862 6.624 1.00 0.00 O ATOM 686 CB ASP A 49 -3.906 11.922 9.147 1.00 0.00 C ATOM 687 CG ASP A 49 -5.245 11.317 9.575 1.00 0.00 C ATOM 688 OD1 ASP A 49 -5.915 10.740 8.692 1.00 0.00 O ATOM 689 OD2 ASP A 49 -5.568 11.446 10.776 1.00 0.00 O ATOM 0 H ASP A 49 -3.073 9.831 8.092 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.514 11.948 7.083 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.108 11.433 9.706 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.893 12.975 9.429 1.00 0.00 H new ATOM 693 N ALA A 50 -1.349 12.677 7.785 1.00 0.00 N ATOM 694 CA ALA A 50 -0.270 13.617 7.533 1.00 0.00 C ATOM 695 C ALA A 50 0.132 13.541 6.059 1.00 0.00 C ATOM 696 O ALA A 50 0.432 14.561 5.440 1.00 0.00 O ATOM 697 CB ALA A 50 0.900 13.316 8.472 1.00 0.00 C ATOM 0 H ALA A 50 -1.087 11.868 8.348 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.595 14.638 7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.709 14.021 8.283 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.570 13.411 9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.255 12.301 8.297 1.00 0.00 H new ATOM 703 N PHE A 51 0.126 12.322 5.539 1.00 0.00 N ATOM 704 CA PHE A 51 0.486 12.100 4.149 1.00 0.00 C ATOM 705 C PHE A 51 -0.178 13.134 3.237 1.00 0.00 C ATOM 706 O PHE A 51 0.478 13.724 2.380 1.00 0.00 O ATOM 707 CB PHE A 51 -0.021 10.706 3.772 1.00 0.00 C ATOM 708 CG PHE A 51 -0.976 10.693 2.577 1.00 0.00 C ATOM 709 CD1 PHE A 51 -0.635 11.337 1.428 1.00 0.00 C ATOM 710 CD2 PHE A 51 -2.165 10.038 2.662 1.00 0.00 C ATOM 711 CE1 PHE A 51 -1.520 11.325 0.318 1.00 0.00 C ATOM 712 CE2 PHE A 51 -3.050 10.026 1.552 1.00 0.00 C ATOM 713 CZ PHE A 51 -2.710 10.670 0.404 1.00 0.00 C ATOM 0 H PHE A 51 -0.122 11.478 6.055 1.00 0.00 H new ATOM 0 HA PHE A 51 1.566 12.188 4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.834 10.068 3.548 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.527 10.270 4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.309 11.857 1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.436 9.527 3.574 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.249 11.835 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.994 9.505 1.620 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.384 10.662 -0.440 1.00 0.00 H new ATOM 722 N ILE A 52 -1.472 13.324 3.454 1.00 0.00 N ATOM 723 CA ILE A 52 -2.232 14.276 2.664 1.00 0.00 C ATOM 724 C ILE A 52 -1.799 15.697 3.032 1.00 0.00 C ATOM 725 O ILE A 52 -1.576 16.528 2.153 1.00 0.00 O ATOM 726 CB ILE A 52 -3.733 14.030 2.826 1.00 0.00 C ATOM 727 CG1 ILE A 52 -4.023 12.546 3.062 1.00 0.00 C ATOM 728 CG2 ILE A 52 -4.512 14.582 1.630 1.00 0.00 C ATOM 729 CD1 ILE A 52 -4.669 12.325 4.432 1.00 0.00 C ATOM 0 H ILE A 52 -2.013 12.834 4.167 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.024 14.142 1.602 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.074 14.570 3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.684 12.172 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.096 11.976 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.576 14.394 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.341 15.655 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.174 14.091 0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.865 11.262 4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.996 12.678 5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.607 12.877 4.485 1.00 0.00 H new ATOM 740 N GLN A 53 -1.693 15.932 4.331 1.00 0.00 N ATOM 741 CA GLN A 53 -1.291 17.238 4.825 1.00 0.00 C ATOM 742 C GLN A 53 0.201 17.466 4.568 1.00 0.00 C ATOM 743 O GLN A 53 0.732 18.531 4.880 1.00 0.00 O ATOM 744 CB GLN A 53 -1.620 17.387 6.312 1.00 0.00 C ATOM 745 CG GLN A 53 -1.438 18.835 6.771 1.00 0.00 C ATOM 746 CD GLN A 53 -2.732 19.388 7.371 1.00 0.00 C ATOM 747 OE1 GLN A 53 -3.724 19.595 6.691 1.00 0.00 O ATOM 748 NE2 GLN A 53 -2.668 19.613 8.681 1.00 0.00 N ATOM 0 H GLN A 53 -1.879 15.240 5.057 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.854 17.999 4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.647 17.070 6.495 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.975 16.732 6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.639 18.888 7.510 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.132 19.452 5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.806 19.418 9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.481 19.981 9.176 1.00 0.00 H new ATOM 755 N LEU A 54 0.834 16.449 4.004 1.00 0.00 N ATOM 756 CA LEU A 54 2.253 16.524 3.703 1.00 0.00 C ATOM 757 C LEU A 54 2.467 16.272 2.209 1.00 0.00 C ATOM 758 O LEU A 54 3.541 16.550 1.677 1.00 0.00 O ATOM 759 CB LEU A 54 3.045 15.576 4.607 1.00 0.00 C ATOM 760 CG LEU A 54 3.497 16.152 5.950 1.00 0.00 C ATOM 761 CD1 LEU A 54 4.411 17.362 5.749 1.00 0.00 C ATOM 762 CD2 LEU A 54 2.293 16.483 6.837 1.00 0.00 C ATOM 0 H LEU A 54 0.390 15.567 3.747 1.00 0.00 H new ATOM 0 HA LEU A 54 2.635 17.522 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.434 14.694 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.928 15.240 4.063 1.00 0.00 H new ATOM 0 HG LEU A 54 4.081 15.392 6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.718 17.752 6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.293 17.062 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.875 18.136 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.641 16.891 7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.663 17.218 6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.717 15.576 7.022 1.00 0.00 H new ATOM 773 N TYR A 55 1.428 15.748 1.575 1.00 0.00 N ATOM 774 CA TYR A 55 1.489 15.456 0.153 1.00 0.00 C ATOM 775 C TYR A 55 0.349 16.146 -0.598 1.00 0.00 C ATOM 776 O TYR A 55 0.575 17.116 -1.321 1.00 0.00 O ATOM 777 CB TYR A 55 1.323 13.940 0.028 1.00 0.00 C ATOM 778 CG TYR A 55 1.704 13.384 -1.345 1.00 0.00 C ATOM 779 CD1 TYR A 55 1.594 14.180 -2.467 1.00 0.00 C ATOM 780 CD2 TYR A 55 2.158 12.085 -1.462 1.00 0.00 C ATOM 781 CE1 TYR A 55 1.954 13.657 -3.760 1.00 0.00 C ATOM 782 CE2 TYR A 55 2.517 11.562 -2.755 1.00 0.00 C ATOM 783 CZ TYR A 55 2.396 12.373 -3.840 1.00 0.00 C ATOM 784 OH TYR A 55 2.736 11.879 -5.061 1.00 0.00 O ATOM 0 H TYR A 55 0.539 15.518 2.020 1.00 0.00 H new ATOM 0 HA TYR A 55 2.428 15.811 -0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.935 13.454 0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.286 13.680 0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.238 15.195 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.244 11.462 -0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.875 14.270 -4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.874 10.548 -2.861 1.00 0.00 H new ATOM 0 HH TYR A 55 2.426 10.952 -5.137 1.00 0.00 H new ATOM 793 N ASN A 56 -0.851 15.621 -0.401 1.00 0.00 N ATOM 794 CA ASN A 56 -2.027 16.174 -1.051 1.00 0.00 C ATOM 795 C ASN A 56 -3.020 15.048 -1.344 1.00 0.00 C ATOM 796 O ASN A 56 -4.197 15.149 -1.000 1.00 0.00 O ATOM 797 CB ASN A 56 -1.660 16.839 -2.380 1.00 0.00 C ATOM 798 CG ASN A 56 -1.448 18.343 -2.201 1.00 0.00 C ATOM 799 OD1 ASN A 56 -1.554 18.886 -1.113 1.00 0.00 O ATOM 800 ND2 ASN A 56 -1.145 18.985 -3.325 1.00 0.00 N ATOM 0 H ASN A 56 -1.035 14.818 0.200 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.463 16.917 -0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.753 16.385 -2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.451 16.664 -3.109 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.986 19.992 -3.310 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.072 18.470 -4.203 1.00 0.00 H new ATOM 806 N GLU A 57 -2.510 14.002 -1.976 1.00 0.00 N ATOM 807 CA GLU A 57 -3.338 12.858 -2.319 1.00 0.00 C ATOM 808 C GLU A 57 -2.634 11.986 -3.361 1.00 0.00 C ATOM 809 O GLU A 57 -3.271 11.477 -4.282 1.00 0.00 O ATOM 810 CB GLU A 57 -4.713 13.306 -2.817 1.00 0.00 C ATOM 811 CG GLU A 57 -4.584 14.442 -3.835 1.00 0.00 C ATOM 812 CD GLU A 57 -5.783 15.390 -3.754 1.00 0.00 C ATOM 813 OE1 GLU A 57 -5.961 15.987 -2.670 1.00 0.00 O ATOM 814 OE2 GLU A 57 -6.492 15.496 -4.778 1.00 0.00 O ATOM 0 H GLU A 57 -1.534 13.922 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.491 12.262 -1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.232 12.462 -3.272 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.320 13.636 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.664 14.997 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.511 14.028 -4.840 1.00 0.00 H new ATOM 819 N SER A 58 -1.329 11.842 -3.181 1.00 0.00 N ATOM 820 CA SER A 58 -0.532 11.041 -4.095 1.00 0.00 C ATOM 821 C SER A 58 -0.769 11.498 -5.535 1.00 0.00 C ATOM 822 O SER A 58 -1.383 10.782 -6.325 1.00 0.00 O ATOM 823 CB SER A 58 -0.857 9.553 -3.950 1.00 0.00 C ATOM 824 OG SER A 58 -2.261 9.318 -3.878 1.00 0.00 O ATOM 0 H SER A 58 -0.804 12.266 -2.416 1.00 0.00 H new ATOM 0 HA SER A 58 0.520 11.182 -3.845 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.441 9.007 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.378 9.163 -3.052 1.00 0.00 H new ATOM 0 HG SER A 58 -2.725 9.918 -4.499 1.00 0.00 H new ATOM 829 N GLU A 59 -0.271 12.689 -5.834 1.00 0.00 N ATOM 830 CA GLU A 59 -0.420 13.250 -7.166 1.00 0.00 C ATOM 831 C GLU A 59 0.467 14.486 -7.323 1.00 0.00 C ATOM 832 O GLU A 59 0.014 15.524 -7.802 1.00 0.00 O ATOM 833 CB GLU A 59 -1.885 13.587 -7.457 1.00 0.00 C ATOM 834 CG GLU A 59 -2.551 12.475 -8.271 1.00 0.00 C ATOM 835 CD GLU A 59 -3.500 13.057 -9.320 1.00 0.00 C ATOM 836 OE1 GLU A 59 -3.226 14.193 -9.764 1.00 0.00 O ATOM 837 OE2 GLU A 59 -4.478 12.353 -9.654 1.00 0.00 O ATOM 0 H GLU A 59 0.236 13.281 -5.176 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.101 12.503 -7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.423 13.729 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.944 14.528 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.787 11.871 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.102 11.812 -7.604 1.00 0.00 H new ATOM 842 N ILE A 60 1.717 14.334 -6.911 1.00 0.00 N ATOM 843 CA ILE A 60 2.673 15.425 -7.001 1.00 0.00 C ATOM 844 C ILE A 60 3.717 15.275 -5.892 1.00 0.00 C ATOM 845 O ILE A 60 4.315 16.259 -5.461 1.00 0.00 O ATOM 846 CB ILE A 60 1.951 16.773 -6.988 1.00 0.00 C ATOM 847 CG1 ILE A 60 1.621 17.233 -8.409 1.00 0.00 C ATOM 848 CG2 ILE A 60 2.759 17.820 -6.219 1.00 0.00 C ATOM 849 CD1 ILE A 60 1.982 16.153 -9.432 1.00 0.00 C ATOM 0 H ILE A 60 2.090 13.472 -6.514 1.00 0.00 H new ATOM 0 HA ILE A 60 3.208 15.386 -7.950 1.00 0.00 H new ATOM 0 HB ILE A 60 1.004 16.648 -6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.559 17.468 -8.482 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.166 18.150 -8.634 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.223 18.769 -6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.898 17.488 -5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.732 17.949 -6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.738 16.505 -10.434 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.049 15.938 -9.373 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.417 15.246 -9.218 1.00 0.00 H new ATOM 860 N ASP A 61 3.903 14.036 -5.462 1.00 0.00 N ATOM 861 CA ASP A 61 4.863 13.744 -4.411 1.00 0.00 C ATOM 862 C ASP A 61 6.027 14.735 -4.501 1.00 0.00 C ATOM 863 O ASP A 61 6.553 15.174 -3.479 1.00 0.00 O ATOM 864 CB ASP A 61 5.433 12.332 -4.561 1.00 0.00 C ATOM 865 CG ASP A 61 5.453 11.504 -3.275 1.00 0.00 C ATOM 866 OD1 ASP A 61 5.921 12.052 -2.254 1.00 0.00 O ATOM 867 OD2 ASP A 61 5.001 10.341 -3.343 1.00 0.00 O ATOM 0 H ASP A 61 3.405 13.222 -5.822 1.00 0.00 H new ATOM 0 HA ASP A 61 4.349 13.825 -3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.849 11.798 -5.310 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.451 12.406 -4.944 1.00 0.00 H new ATOM 871 N GLU A 62 6.393 15.058 -5.732 1.00 0.00 N ATOM 872 CA GLU A 62 7.484 15.989 -5.968 1.00 0.00 C ATOM 873 C GLU A 62 7.661 16.229 -7.469 1.00 0.00 C ATOM 874 O GLU A 62 7.620 17.370 -7.928 1.00 0.00 O ATOM 875 CB GLU A 62 8.783 15.482 -5.338 1.00 0.00 C ATOM 876 CG GLU A 62 9.505 16.607 -4.595 1.00 0.00 C ATOM 877 CD GLU A 62 10.226 16.072 -3.356 1.00 0.00 C ATOM 878 OE1 GLU A 62 10.711 14.923 -3.434 1.00 0.00 O ATOM 879 OE2 GLU A 62 10.276 16.824 -2.358 1.00 0.00 O ATOM 0 H GLU A 62 5.954 14.692 -6.577 1.00 0.00 H new ATOM 0 HA GLU A 62 7.235 16.938 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.563 14.667 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.434 15.077 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.224 17.084 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.787 17.372 -4.300 1.00 0.00 H new ATOM 884 N PRO A 63 7.859 15.107 -8.212 1.00 0.00 N ATOM 885 CA PRO A 63 8.042 15.185 -9.652 1.00 0.00 C ATOM 886 C PRO A 63 6.713 15.460 -10.359 1.00 0.00 C ATOM 887 O PRO A 63 6.350 16.615 -10.576 1.00 0.00 O ATOM 888 CB PRO A 63 8.657 13.851 -10.042 1.00 0.00 C ATOM 889 CG PRO A 63 8.367 12.904 -8.889 1.00 0.00 C ATOM 890 CD PRO A 63 7.913 13.740 -7.703 1.00 0.00 C ATOM 0 HA PRO A 63 8.689 16.010 -9.950 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.225 13.479 -10.971 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.730 13.949 -10.206 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.595 12.187 -9.169 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.258 12.330 -8.633 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.939 13.414 -7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.610 13.655 -6.869 1.00 0.00 H new ATOM 895 N LEU A 64 6.025 14.381 -10.700 1.00 0.00 N ATOM 896 CA LEU A 64 4.746 14.492 -11.378 1.00 0.00 C ATOM 897 C LEU A 64 4.315 13.110 -11.876 1.00 0.00 C ATOM 898 O LEU A 64 3.148 12.740 -11.760 1.00 0.00 O ATOM 899 CB LEU A 64 4.814 15.549 -12.482 1.00 0.00 C ATOM 900 CG LEU A 64 3.694 15.505 -13.523 1.00 0.00 C ATOM 901 CD1 LEU A 64 2.951 16.841 -13.585 1.00 0.00 C ATOM 902 CD2 LEU A 64 4.233 15.086 -14.892 1.00 0.00 C ATOM 0 H LEU A 64 6.330 13.425 -10.519 1.00 0.00 H new ATOM 0 HA LEU A 64 3.977 14.836 -10.686 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.810 16.534 -12.015 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.768 15.445 -12.999 1.00 0.00 H new ATOM 0 HG LEU A 64 2.972 14.748 -13.216 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.160 16.783 -14.333 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.514 17.060 -12.611 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.649 17.633 -13.856 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.416 15.063 -15.613 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.987 15.801 -15.221 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.681 14.095 -14.819 1.00 0.00 H new ATOM 913 N ILE A 65 5.282 12.385 -12.419 1.00 0.00 N ATOM 914 CA ILE A 65 5.018 11.052 -12.935 1.00 0.00 C ATOM 915 C ILE A 65 6.174 10.125 -12.556 1.00 0.00 C ATOM 916 O ILE A 65 6.294 9.024 -13.092 1.00 0.00 O ATOM 917 CB ILE A 65 4.739 11.105 -14.438 1.00 0.00 C ATOM 918 CG1 ILE A 65 3.923 9.891 -14.887 1.00 0.00 C ATOM 919 CG2 ILE A 65 6.040 11.246 -15.232 1.00 0.00 C ATOM 920 CD1 ILE A 65 2.979 10.260 -16.033 1.00 0.00 C ATOM 0 H ILE A 65 6.249 12.695 -12.513 1.00 0.00 H new ATOM 0 HA ILE A 65 4.117 10.639 -12.482 1.00 0.00 H new ATOM 0 HB ILE A 65 4.138 11.991 -14.643 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.595 9.094 -15.206 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.347 9.504 -14.046 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.814 11.281 -16.298 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.548 12.165 -14.938 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.686 10.393 -15.026 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.410 9.380 -16.334 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.293 11.040 -15.702 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.560 10.624 -16.880 1.00 0.00 H new ATOM 931 N GLN A 66 6.997 10.603 -11.633 1.00 0.00 N ATOM 932 CA GLN A 66 8.139 9.831 -11.176 1.00 0.00 C ATOM 933 C GLN A 66 7.921 9.363 -9.736 1.00 0.00 C ATOM 934 O GLN A 66 8.691 8.555 -9.219 1.00 0.00 O ATOM 935 CB GLN A 66 9.433 10.640 -11.299 1.00 0.00 C ATOM 936 CG GLN A 66 10.461 9.901 -12.159 1.00 0.00 C ATOM 937 CD GLN A 66 10.454 10.427 -13.596 1.00 0.00 C ATOM 938 OE1 GLN A 66 9.423 10.756 -14.159 1.00 0.00 O ATOM 939 NE2 GLN A 66 11.659 10.487 -14.155 1.00 0.00 N ATOM 0 H GLN A 66 6.895 11.516 -11.190 1.00 0.00 H new ATOM 0 HA GLN A 66 8.237 8.952 -11.813 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.217 11.613 -11.739 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.847 10.823 -10.308 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.455 10.022 -11.728 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.241 8.833 -12.158 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.481 10.196 -13.627 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.761 10.824 -15.112 1.00 0.00 H new ATOM 946 N LEU A 67 6.868 9.889 -9.128 1.00 0.00 N ATOM 947 CA LEU A 67 6.539 9.535 -7.758 1.00 0.00 C ATOM 948 C LEU A 67 5.022 9.387 -7.625 1.00 0.00 C ATOM 949 O LEU A 67 4.541 8.499 -6.924 1.00 0.00 O ATOM 950 CB LEU A 67 7.146 10.545 -6.783 1.00 0.00 C ATOM 951 CG LEU A 67 8.439 10.113 -6.089 1.00 0.00 C ATOM 952 CD1 LEU A 67 8.195 8.911 -5.175 1.00 0.00 C ATOM 953 CD2 LEU A 67 9.546 9.842 -7.110 1.00 0.00 C ATOM 0 H LEU A 67 6.231 10.558 -9.560 1.00 0.00 H new ATOM 0 HA LEU A 67 6.978 8.572 -7.497 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.339 11.471 -7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.404 10.772 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 67 8.778 10.934 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.130 8.624 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.461 9.176 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.819 8.075 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.454 9.537 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.231 9.048 -7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.743 10.749 -7.682 1.00 0.00 H new ATOM 964 N ASP A 68 4.311 10.271 -8.308 1.00 0.00 N ATOM 965 CA ASP A 68 2.859 10.251 -8.275 1.00 0.00 C ATOM 966 C ASP A 68 2.359 8.917 -8.835 1.00 0.00 C ATOM 967 O ASP A 68 1.637 8.187 -8.159 1.00 0.00 O ATOM 968 CB ASP A 68 2.271 11.373 -9.133 1.00 0.00 C ATOM 969 CG ASP A 68 0.810 11.176 -9.545 1.00 0.00 C ATOM 970 OD1 ASP A 68 0.085 10.521 -8.765 1.00 0.00 O ATOM 971 OD2 ASP A 68 0.453 11.685 -10.628 1.00 0.00 O ATOM 0 H ASP A 68 4.714 11.007 -8.888 1.00 0.00 H new ATOM 0 HA ASP A 68 2.544 10.387 -7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.354 12.311 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.876 11.476 -10.034 1.00 0.00 H new ATOM 975 N ASP A 69 2.763 8.640 -10.066 1.00 0.00 N ATOM 976 CA ASP A 69 2.367 7.408 -10.725 1.00 0.00 C ATOM 977 C ASP A 69 3.304 6.278 -10.294 1.00 0.00 C ATOM 978 O ASP A 69 3.023 5.106 -10.536 1.00 0.00 O ATOM 979 CB ASP A 69 2.457 7.542 -12.247 1.00 0.00 C ATOM 980 CG ASP A 69 1.285 8.274 -12.902 1.00 0.00 C ATOM 981 OD1 ASP A 69 0.983 9.393 -12.436 1.00 0.00 O ATOM 982 OD2 ASP A 69 0.716 7.697 -13.854 1.00 0.00 O ATOM 0 H ASP A 69 3.361 9.249 -10.625 1.00 0.00 H new ATOM 0 HA ASP A 69 1.337 7.193 -10.442 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.379 8.067 -12.496 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.531 6.545 -12.681 1.00 0.00 H new ATOM 986 N ASP A 70 4.400 6.671 -9.661 1.00 0.00 N ATOM 987 CA ASP A 70 5.380 5.707 -9.193 1.00 0.00 C ATOM 988 C ASP A 70 4.859 5.030 -7.925 1.00 0.00 C ATOM 989 O ASP A 70 5.197 3.880 -7.647 1.00 0.00 O ATOM 990 CB ASP A 70 6.707 6.390 -8.853 1.00 0.00 C ATOM 991 CG ASP A 70 7.959 5.618 -9.276 1.00 0.00 C ATOM 992 OD1 ASP A 70 7.854 4.866 -10.268 1.00 0.00 O ATOM 993 OD2 ASP A 70 8.992 5.799 -8.596 1.00 0.00 O ATOM 0 H ASP A 70 4.630 7.644 -9.462 1.00 0.00 H new ATOM 0 HA ASP A 70 5.542 4.979 -9.988 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.726 7.371 -9.328 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.747 6.556 -7.777 1.00 0.00 H new ATOM 997 N THR A 71 4.045 5.772 -7.188 1.00 0.00 N ATOM 998 CA THR A 71 3.474 5.257 -5.956 1.00 0.00 C ATOM 999 C THR A 71 2.047 4.759 -6.196 1.00 0.00 C ATOM 1000 O THR A 71 1.628 3.760 -5.613 1.00 0.00 O ATOM 1001 CB THR A 71 3.561 6.359 -4.898 1.00 0.00 C ATOM 1002 OG1 THR A 71 4.820 6.978 -5.146 1.00 0.00 O ATOM 1003 CG2 THR A 71 3.694 5.799 -3.479 1.00 0.00 C ATOM 0 H THR A 71 3.768 6.726 -7.421 1.00 0.00 H new ATOM 0 HA THR A 71 4.031 4.392 -5.594 1.00 0.00 H new ATOM 0 HB THR A 71 2.675 6.991 -4.957 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.682 7.815 -5.637 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.752 6.622 -2.767 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.826 5.181 -3.249 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.599 5.195 -3.410 1.00 0.00 H new ATOM 1011 N ALA A 72 1.341 5.477 -7.057 1.00 0.00 N ATOM 1012 CA ALA A 72 -0.030 5.120 -7.382 1.00 0.00 C ATOM 1013 C ALA A 72 -0.043 3.777 -8.116 1.00 0.00 C ATOM 1014 O ALA A 72 -0.961 2.979 -7.941 1.00 0.00 O ATOM 1015 CB ALA A 72 -0.668 6.240 -8.206 1.00 0.00 C ATOM 0 H ALA A 72 1.692 6.304 -7.540 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.622 5.005 -6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.696 5.972 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.661 7.165 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.102 6.382 -9.127 1.00 0.00 H new ATOM 1021 N GLU A 73 0.990 3.570 -8.921 1.00 0.00 N ATOM 1022 CA GLU A 73 1.108 2.338 -9.683 1.00 0.00 C ATOM 1023 C GLU A 73 1.505 1.181 -8.763 1.00 0.00 C ATOM 1024 O GLU A 73 1.287 0.017 -9.093 1.00 0.00 O ATOM 1025 CB GLU A 73 2.110 2.495 -10.828 1.00 0.00 C ATOM 1026 CG GLU A 73 1.516 3.327 -11.967 1.00 0.00 C ATOM 1027 CD GLU A 73 2.495 3.431 -13.138 1.00 0.00 C ATOM 1028 OE1 GLU A 73 3.012 2.368 -13.542 1.00 0.00 O ATOM 1029 OE2 GLU A 73 2.702 4.573 -13.604 1.00 0.00 O ATOM 0 H GLU A 73 1.752 4.234 -9.062 1.00 0.00 H new ATOM 0 HA GLU A 73 0.137 2.111 -10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.017 2.973 -10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.397 1.512 -11.202 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.585 2.873 -12.306 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.271 4.325 -11.604 1.00 0.00 H new ATOM 1034 N LEU A 74 2.081 1.543 -7.625 1.00 0.00 N ATOM 1035 CA LEU A 74 2.509 0.551 -6.655 1.00 0.00 C ATOM 1036 C LEU A 74 1.285 -0.007 -5.926 1.00 0.00 C ATOM 1037 O LEU A 74 1.106 -1.221 -5.844 1.00 0.00 O ATOM 1038 CB LEU A 74 3.567 1.139 -5.718 1.00 0.00 C ATOM 1039 CG LEU A 74 4.951 0.489 -5.777 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.919 -0.922 -5.187 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.502 0.501 -7.204 1.00 0.00 C ATOM 0 H LEU A 74 2.261 2.510 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 74 2.991 -0.288 -7.157 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.676 2.200 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.197 1.068 -4.695 1.00 0.00 H new ATOM 0 HG LEU A 74 5.632 1.079 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.915 -1.362 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.600 -0.874 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.220 -1.537 -5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.486 0.033 -7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.828 -0.052 -7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.584 1.530 -7.554 1.00 0.00 H new ATOM 1052 N MET A 75 0.472 0.908 -5.417 1.00 0.00 N ATOM 1053 CA MET A 75 -0.731 0.522 -4.698 1.00 0.00 C ATOM 1054 C MET A 75 -1.792 -0.021 -5.656 1.00 0.00 C ATOM 1055 O MET A 75 -2.642 -0.817 -5.261 1.00 0.00 O ATOM 1056 CB MET A 75 -1.289 1.735 -3.950 1.00 0.00 C ATOM 1057 CG MET A 75 -0.163 2.664 -3.493 1.00 0.00 C ATOM 1058 SD MET A 75 -0.542 3.337 -1.883 1.00 0.00 S ATOM 1059 CE MET A 75 1.102 3.447 -1.198 1.00 0.00 C ATOM 0 H MET A 75 0.623 1.914 -5.488 1.00 0.00 H new ATOM 0 HA MET A 75 -0.472 -0.265 -3.990 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.976 2.281 -4.597 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.863 1.401 -3.086 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.779 2.116 -3.455 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.033 3.472 -4.213 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.183 4.347 -0.589 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.298 2.571 -0.579 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.831 3.490 -2.007 1.00 0.00 H new ATOM 1067 N LYS A 76 -1.708 0.432 -6.900 1.00 0.00 N ATOM 1068 CA LYS A 76 -2.651 0.001 -7.918 1.00 0.00 C ATOM 1069 C LYS A 76 -2.194 -1.340 -8.495 1.00 0.00 C ATOM 1070 O LYS A 76 -2.920 -2.331 -8.420 1.00 0.00 O ATOM 1071 CB LYS A 76 -2.836 1.094 -8.973 1.00 0.00 C ATOM 1072 CG LYS A 76 -3.960 0.732 -9.946 1.00 0.00 C ATOM 1073 CD LYS A 76 -3.891 1.595 -11.208 1.00 0.00 C ATOM 1074 CE LYS A 76 -3.167 0.857 -12.337 1.00 0.00 C ATOM 1075 NZ LYS A 76 -4.063 0.688 -13.502 1.00 0.00 N ATOM 0 H LYS A 76 -1.002 1.092 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.637 -0.159 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.064 2.041 -8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.905 1.235 -9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.886 -0.321 -10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.926 0.869 -9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.899 1.859 -11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.373 2.528 -10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.278 1.414 -12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.830 -0.118 -11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.557 0.186 -14.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.899 0.138 -13.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.364 1.622 -13.847 1.00 0.00 H new ATOM 1085 N GLN A 77 -0.995 -1.328 -9.057 1.00 0.00 N ATOM 1086 CA GLN A 77 -0.433 -2.532 -9.646 1.00 0.00 C ATOM 1087 C GLN A 77 -0.534 -3.701 -8.665 1.00 0.00 C ATOM 1088 O GLN A 77 -0.867 -4.818 -9.056 1.00 0.00 O ATOM 1089 CB GLN A 77 1.015 -2.304 -10.082 1.00 0.00 C ATOM 1090 CG GLN A 77 1.552 -3.511 -10.856 1.00 0.00 C ATOM 1091 CD GLN A 77 2.157 -4.546 -9.907 1.00 0.00 C ATOM 1092 OE1 GLN A 77 2.130 -4.407 -8.695 1.00 0.00 O ATOM 1093 NE2 GLN A 77 2.705 -5.591 -10.522 1.00 0.00 N ATOM 0 H GLN A 77 -0.397 -0.504 -9.117 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.011 -2.781 -10.536 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.075 -1.412 -10.706 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.638 -2.123 -9.206 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.746 -3.967 -11.431 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.307 -3.183 -11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.694 -5.647 -11.540 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.136 -6.336 -9.975 1.00 0.00 H new ATOM 1100 N ALA A 78 -0.238 -3.403 -7.407 1.00 0.00 N ATOM 1101 CA ALA A 78 -0.291 -4.416 -6.366 1.00 0.00 C ATOM 1102 C ALA A 78 -1.752 -4.746 -6.056 1.00 0.00 C ATOM 1103 O ALA A 78 -2.130 -5.916 -6.003 1.00 0.00 O ATOM 1104 CB ALA A 78 0.469 -3.920 -5.134 1.00 0.00 C ATOM 0 H ALA A 78 0.039 -2.475 -7.086 1.00 0.00 H new ATOM 0 HA ALA A 78 0.191 -5.335 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.430 -4.679 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.508 -3.727 -5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.011 -3.000 -4.770 1.00 0.00 H new ATOM 1110 N ARG A 79 -2.535 -3.695 -5.860 1.00 0.00 N ATOM 1111 CA ARG A 79 -3.946 -3.858 -5.556 1.00 0.00 C ATOM 1112 C ARG A 79 -4.662 -4.550 -6.718 1.00 0.00 C ATOM 1113 O ARG A 79 -5.833 -4.911 -6.604 1.00 0.00 O ATOM 1114 CB ARG A 79 -4.612 -2.508 -5.287 1.00 0.00 C ATOM 1115 CG ARG A 79 -6.134 -2.650 -5.220 1.00 0.00 C ATOM 1116 CD ARG A 79 -6.775 -2.321 -6.571 1.00 0.00 C ATOM 1117 NE ARG A 79 -8.120 -2.931 -6.654 1.00 0.00 N ATOM 1118 CZ ARG A 79 -8.858 -2.974 -7.772 1.00 0.00 C ATOM 1119 NH1 ARG A 79 -8.384 -2.441 -8.908 1.00 0.00 N ATOM 1120 NH2 ARG A 79 -10.068 -3.548 -7.755 1.00 0.00 N ATOM 0 H ARG A 79 -2.218 -2.727 -5.906 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.023 -4.472 -4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.240 -2.096 -4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.343 -1.803 -6.074 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.396 -3.667 -4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.532 -1.985 -4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.848 -1.241 -6.695 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.147 -2.693 -7.381 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.510 -3.345 -5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.463 -2.003 -8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.945 -2.473 -9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.428 -3.953 -6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.629 -3.580 -8.606 1.00 0.00 H new ATOM 1131 N ASP A 80 -3.929 -4.713 -7.810 1.00 0.00 N ATOM 1132 CA ASP A 80 -4.480 -5.354 -8.992 1.00 0.00 C ATOM 1133 C ASP A 80 -3.775 -6.694 -9.215 1.00 0.00 C ATOM 1134 O ASP A 80 -4.346 -7.611 -9.803 1.00 0.00 O ATOM 1135 CB ASP A 80 -4.264 -4.492 -10.237 1.00 0.00 C ATOM 1136 CG ASP A 80 -4.888 -5.044 -11.521 1.00 0.00 C ATOM 1137 OD1 ASP A 80 -5.281 -6.231 -11.497 1.00 0.00 O ATOM 1138 OD2 ASP A 80 -4.955 -4.268 -12.498 1.00 0.00 O ATOM 0 H ASP A 80 -2.959 -4.412 -7.901 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.549 -5.495 -8.833 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.674 -3.500 -10.049 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.192 -4.370 -10.395 1.00 0.00 H new ATOM 1142 N MET A 81 -2.542 -6.763 -8.735 1.00 0.00 N ATOM 1143 CA MET A 81 -1.752 -7.975 -8.875 1.00 0.00 C ATOM 1144 C MET A 81 -2.291 -9.089 -7.975 1.00 0.00 C ATOM 1145 O MET A 81 -2.133 -10.270 -8.281 1.00 0.00 O ATOM 1146 CB MET A 81 -0.296 -7.681 -8.506 1.00 0.00 C ATOM 1147 CG MET A 81 -0.022 -8.024 -7.040 1.00 0.00 C ATOM 1148 SD MET A 81 1.629 -7.515 -6.593 1.00 0.00 S ATOM 1149 CE MET A 81 2.570 -8.857 -7.301 1.00 0.00 C ATOM 0 H MET A 81 -2.071 -6.000 -8.249 1.00 0.00 H new ATOM 0 HA MET A 81 -1.814 -8.308 -9.911 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.369 -8.258 -9.149 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.077 -6.628 -8.684 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.751 -7.527 -6.399 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.136 -9.096 -6.881 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.072 -9.408 -6.506 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.900 -9.527 -7.839 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.313 -8.456 -7.990 1.00 0.00 H new ATOM 1157 N TYR A 82 -2.918 -8.674 -6.884 1.00 0.00 N ATOM 1158 CA TYR A 82 -3.483 -9.621 -5.939 1.00 0.00 C ATOM 1159 C TYR A 82 -4.034 -8.903 -4.706 1.00 0.00 C ATOM 1160 O TYR A 82 -4.903 -9.429 -4.012 1.00 0.00 O ATOM 1161 CB TYR A 82 -2.328 -10.529 -5.512 1.00 0.00 C ATOM 1162 CG TYR A 82 -2.715 -12.002 -5.369 1.00 0.00 C ATOM 1163 CD1 TYR A 82 -3.861 -12.352 -4.684 1.00 0.00 C ATOM 1164 CD2 TYR A 82 -1.919 -12.983 -5.925 1.00 0.00 C ATOM 1165 CE1 TYR A 82 -4.226 -13.738 -4.549 1.00 0.00 C ATOM 1166 CE2 TYR A 82 -2.284 -14.369 -5.790 1.00 0.00 C ATOM 1167 CZ TYR A 82 -3.419 -14.679 -5.109 1.00 0.00 C ATOM 1168 OH TYR A 82 -3.763 -15.988 -4.981 1.00 0.00 O ATOM 0 H TYR A 82 -3.047 -7.694 -6.634 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.304 -10.174 -6.394 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -1.524 -10.445 -6.243 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.933 -10.174 -4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.485 -11.585 -4.249 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.022 -12.711 -6.461 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.120 -14.024 -4.015 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.669 -15.146 -6.220 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.096 -16.547 -5.431 1.00 0.00 H new ATOM 1177 N GLY A 83 -3.504 -7.712 -4.468 1.00 0.00 N ATOM 1178 CA GLY A 83 -3.932 -6.916 -3.330 1.00 0.00 C ATOM 1179 C GLY A 83 -2.747 -6.573 -2.425 1.00 0.00 C ATOM 1180 O GLY A 83 -2.598 -7.149 -1.347 1.00 0.00 O ATOM 0 H GLY A 83 -2.782 -7.279 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.404 -5.998 -3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.683 -7.463 -2.760 1.00 0.00 H new ATOM 1184 N GLN A 84 -1.935 -5.638 -2.895 1.00 0.00 N ATOM 1185 CA GLN A 84 -0.768 -5.212 -2.141 1.00 0.00 C ATOM 1186 C GLN A 84 0.105 -6.418 -1.789 1.00 0.00 C ATOM 1187 O GLN A 84 0.996 -6.319 -0.946 1.00 0.00 O ATOM 1188 CB GLN A 84 -1.178 -4.447 -0.881 1.00 0.00 C ATOM 1189 CG GLN A 84 -1.938 -3.168 -1.239 1.00 0.00 C ATOM 1190 CD GLN A 84 -1.204 -1.931 -0.719 1.00 0.00 C ATOM 1191 OE1 GLN A 84 -0.694 -1.118 -1.474 1.00 0.00 O ATOM 1192 NE2 GLN A 84 -1.179 -1.833 0.606 1.00 0.00 N ATOM 0 H GLN A 84 -2.062 -5.163 -3.789 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.185 -4.534 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.803 -5.082 -0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.291 -4.196 -0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.053 -3.099 -2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.941 -3.206 -0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.626 -2.549 1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.713 -1.042 1.050 1.00 0.00 H new ATOM 1199 N GLU A 85 -0.179 -7.529 -2.453 1.00 0.00 N ATOM 1200 CA GLU A 85 0.570 -8.752 -2.222 1.00 0.00 C ATOM 1201 C GLU A 85 -0.285 -9.972 -2.570 1.00 0.00 C ATOM 1202 O GLU A 85 0.140 -10.836 -3.334 1.00 0.00 O ATOM 1203 CB GLU A 85 1.068 -8.826 -0.777 1.00 0.00 C ATOM 1204 CG GLU A 85 1.515 -10.245 -0.422 1.00 0.00 C ATOM 1205 CD GLU A 85 0.811 -10.741 0.842 1.00 0.00 C ATOM 1206 OE1 GLU A 85 -0.281 -10.207 1.131 1.00 0.00 O ATOM 1207 OE2 GLU A 85 1.382 -11.645 1.491 1.00 0.00 O ATOM 0 H GLU A 85 -0.918 -7.607 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 85 1.444 -8.747 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.899 -8.134 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.275 -8.511 -0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.297 -10.917 -1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.595 -10.263 -0.272 1.00 0.00 H new ATOM 1212 N LYS A 86 -1.477 -10.003 -1.991 1.00 0.00 N ATOM 1213 CA LYS A 86 -2.396 -11.102 -2.230 1.00 0.00 C ATOM 1214 C LYS A 86 -3.347 -11.236 -1.039 1.00 0.00 C ATOM 1215 O LYS A 86 -3.649 -12.345 -0.601 1.00 0.00 O ATOM 1216 CB LYS A 86 -1.626 -12.386 -2.549 1.00 0.00 C ATOM 1217 CG LYS A 86 -0.480 -12.597 -1.556 1.00 0.00 C ATOM 1218 CD LYS A 86 -0.643 -13.919 -0.803 1.00 0.00 C ATOM 1219 CE LYS A 86 0.684 -14.370 -0.194 1.00 0.00 C ATOM 1220 NZ LYS A 86 1.173 -15.595 -0.866 1.00 0.00 N ATOM 0 H LYS A 86 -1.827 -9.284 -1.357 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.010 -10.899 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.304 -13.239 -2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.229 -12.334 -3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.472 -12.592 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.453 -11.771 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.388 -13.804 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.014 -14.686 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.424 -13.575 -0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.556 -14.559 0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.075 -15.888 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.473 -16.356 -0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.314 -15.403 -1.878 1.00 0.00 H new ATOM 1230 N LEU A 87 -3.792 -10.088 -0.546 1.00 0.00 N ATOM 1231 CA LEU A 87 -4.702 -10.063 0.586 1.00 0.00 C ATOM 1232 C LEU A 87 -5.928 -9.219 0.231 1.00 0.00 C ATOM 1233 O LEU A 87 -6.739 -8.901 1.099 1.00 0.00 O ATOM 1234 CB LEU A 87 -3.975 -9.591 1.846 1.00 0.00 C ATOM 1235 CG LEU A 87 -4.865 -9.217 3.033 1.00 0.00 C ATOM 1236 CD1 LEU A 87 -5.826 -10.356 3.378 1.00 0.00 C ATOM 1237 CD2 LEU A 87 -4.022 -8.793 4.238 1.00 0.00 C ATOM 0 H LEU A 87 -3.539 -9.170 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.060 -11.068 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.291 -10.378 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.366 -8.725 1.587 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.473 -8.359 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.447 -10.064 4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.462 -10.569 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.255 -11.248 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.679 -8.532 5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.372 -9.616 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.414 -7.928 3.971 1.00 0.00 H new ATOM 1248 N ASN A 88 -6.022 -8.880 -1.046 1.00 0.00 N ATOM 1249 CA ASN A 88 -7.136 -8.078 -1.527 1.00 0.00 C ATOM 1250 C ASN A 88 -8.412 -8.494 -0.794 1.00 0.00 C ATOM 1251 O ASN A 88 -9.292 -7.669 -0.555 1.00 0.00 O ATOM 1252 CB ASN A 88 -7.361 -8.290 -3.026 1.00 0.00 C ATOM 1253 CG ASN A 88 -6.753 -7.144 -3.838 1.00 0.00 C ATOM 1254 OD1 ASN A 88 -6.079 -7.345 -4.835 1.00 0.00 O ATOM 1255 ND2 ASN A 88 -7.031 -5.935 -3.359 1.00 0.00 N ATOM 0 H ASN A 88 -5.346 -9.145 -1.762 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.901 -7.030 -1.342 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.915 -9.236 -3.334 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.429 -8.359 -3.231 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.674 -5.105 -3.831 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.602 -5.838 -2.519 1.00 0.00 H new ATOM 1261 N GLU A 89 -8.472 -9.774 -0.458 1.00 0.00 N ATOM 1262 CA GLU A 89 -9.627 -10.310 0.244 1.00 0.00 C ATOM 1263 C GLU A 89 -10.010 -9.397 1.410 1.00 0.00 C ATOM 1264 O GLU A 89 -11.192 -9.159 1.654 1.00 0.00 O ATOM 1265 CB GLU A 89 -9.360 -11.737 0.728 1.00 0.00 C ATOM 1266 CG GLU A 89 -10.449 -12.694 0.237 1.00 0.00 C ATOM 1267 CD GLU A 89 -10.345 -14.049 0.942 1.00 0.00 C ATOM 1268 OE1 GLU A 89 -9.198 -14.516 1.108 1.00 0.00 O ATOM 1269 OE2 GLU A 89 -11.417 -14.586 1.299 1.00 0.00 O ATOM 0 H GLU A 89 -7.740 -10.456 -0.658 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.466 -10.349 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.387 -12.071 0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.319 -11.754 1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.431 -12.258 0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.358 -12.832 -0.840 1.00 0.00 H new ATOM 1274 N LYS A 90 -8.989 -8.912 2.101 1.00 0.00 N ATOM 1275 CA LYS A 90 -9.203 -8.031 3.235 1.00 0.00 C ATOM 1276 C LYS A 90 -8.456 -6.716 3.004 1.00 0.00 C ATOM 1277 O LYS A 90 -8.750 -5.709 3.647 1.00 0.00 O ATOM 1278 CB LYS A 90 -8.821 -8.733 4.540 1.00 0.00 C ATOM 1279 CG LYS A 90 -10.029 -9.443 5.155 1.00 0.00 C ATOM 1280 CD LYS A 90 -10.222 -10.830 4.541 1.00 0.00 C ATOM 1281 CE LYS A 90 -9.240 -11.838 5.142 1.00 0.00 C ATOM 1282 NZ LYS A 90 -9.963 -13.024 5.653 1.00 0.00 N ATOM 0 H LYS A 90 -8.010 -9.113 1.897 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.261 -7.785 3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.028 -9.456 4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.425 -8.004 5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.892 -9.535 6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.926 -8.844 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.244 -11.168 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.079 -10.777 3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.516 -12.144 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.679 -11.370 5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.282 -13.698 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.637 -12.730 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.479 -13.479 4.873 1.00 0.00 H new ATOM 1292 N LEU A 91 -7.506 -6.766 2.082 1.00 0.00 N ATOM 1293 CA LEU A 91 -6.715 -5.592 1.757 1.00 0.00 C ATOM 1294 C LEU A 91 -7.507 -4.698 0.801 1.00 0.00 C ATOM 1295 O LEU A 91 -7.317 -3.483 0.781 1.00 0.00 O ATOM 1296 CB LEU A 91 -5.342 -6.002 1.221 1.00 0.00 C ATOM 1297 CG LEU A 91 -4.138 -5.568 2.058 1.00 0.00 C ATOM 1298 CD1 LEU A 91 -2.903 -6.402 1.717 1.00 0.00 C ATOM 1299 CD2 LEU A 91 -3.877 -4.068 1.905 1.00 0.00 C ATOM 0 H LEU A 91 -7.266 -7.602 1.549 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.518 -5.005 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.321 -7.088 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.229 -5.592 0.218 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.368 -5.750 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.062 -6.072 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.107 -7.454 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.658 -6.276 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.016 -3.785 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.676 -3.838 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.753 -3.511 2.237 1.00 0.00 H new ATOM 1310 N ASN A 92 -8.377 -5.334 0.031 1.00 0.00 N ATOM 1311 CA ASN A 92 -9.199 -4.612 -0.925 1.00 0.00 C ATOM 1312 C ASN A 92 -10.139 -3.666 -0.173 1.00 0.00 C ATOM 1313 O ASN A 92 -10.405 -2.556 -0.631 1.00 0.00 O ATOM 1314 CB ASN A 92 -10.057 -5.572 -1.752 1.00 0.00 C ATOM 1315 CG ASN A 92 -10.847 -4.818 -2.823 1.00 0.00 C ATOM 1316 OD1 ASN A 92 -10.424 -3.797 -3.340 1.00 0.00 O ATOM 1317 ND2 ASN A 92 -12.015 -5.378 -3.127 1.00 0.00 N ATOM 0 H ASN A 92 -8.531 -6.342 0.050 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.535 -4.059 -1.589 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.420 -6.320 -2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.745 -6.107 -1.097 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.617 -4.952 -3.832 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -12.308 -6.234 -2.656 1.00 0.00 H new ATOM 1323 N THR A 93 -10.615 -4.142 0.969 1.00 0.00 N ATOM 1324 CA THR A 93 -11.518 -3.353 1.789 1.00 0.00 C ATOM 1325 C THR A 93 -10.730 -2.365 2.651 1.00 0.00 C ATOM 1326 O THR A 93 -11.166 -1.233 2.858 1.00 0.00 O ATOM 1327 CB THR A 93 -12.379 -4.318 2.605 1.00 0.00 C ATOM 1328 OG1 THR A 93 -13.360 -4.777 1.679 1.00 0.00 O ATOM 1329 CG2 THR A 93 -13.194 -3.606 3.687 1.00 0.00 C ATOM 0 H THR A 93 -10.392 -5.064 1.345 1.00 0.00 H new ATOM 0 HA THR A 93 -12.180 -2.743 1.174 1.00 0.00 H new ATOM 0 HB THR A 93 -11.740 -5.070 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.960 -5.410 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 93 -13.787 -4.337 4.236 1.00 0.00 H new ATOM 0 HG22 THR A 93 -12.519 -3.096 4.374 1.00 0.00 H new ATOM 0 HG23 THR A 93 -13.857 -2.877 3.222 1.00 0.00 H new ATOM 1337 N ILE A 94 -9.585 -2.827 3.130 1.00 0.00 N ATOM 1338 CA ILE A 94 -8.733 -1.999 3.965 1.00 0.00 C ATOM 1339 C ILE A 94 -8.140 -0.870 3.119 1.00 0.00 C ATOM 1340 O ILE A 94 -8.033 0.265 3.578 1.00 0.00 O ATOM 1341 CB ILE A 94 -7.682 -2.854 4.675 1.00 0.00 C ATOM 1342 CG1 ILE A 94 -7.579 -2.481 6.155 1.00 0.00 C ATOM 1343 CG2 ILE A 94 -6.329 -2.761 3.965 1.00 0.00 C ATOM 1344 CD1 ILE A 94 -8.360 -3.469 7.024 1.00 0.00 C ATOM 0 H ILE A 94 -9.227 -3.766 2.955 1.00 0.00 H new ATOM 0 HA ILE A 94 -9.316 -1.531 4.758 1.00 0.00 H new ATOM 0 HB ILE A 94 -8.000 -3.895 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.532 -2.471 6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.965 -1.473 6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.600 -3.378 4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.432 -3.114 2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.991 -1.725 3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.271 -3.182 8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.410 -3.458 6.733 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -7.956 -4.472 6.887 1.00 0.00 H new ATOM 1355 N ILE A 95 -7.768 -1.223 1.897 1.00 0.00 N ATOM 1356 CA ILE A 95 -7.187 -0.255 0.982 1.00 0.00 C ATOM 1357 C ILE A 95 -8.275 0.714 0.515 1.00 0.00 C ATOM 1358 O ILE A 95 -8.045 1.920 0.437 1.00 0.00 O ATOM 1359 CB ILE A 95 -6.464 -0.967 -0.163 1.00 0.00 C ATOM 1360 CG1 ILE A 95 -7.457 -1.707 -1.062 1.00 0.00 C ATOM 1361 CG2 ILE A 95 -5.372 -1.895 0.371 1.00 0.00 C ATOM 1362 CD1 ILE A 95 -7.933 -0.810 -2.206 1.00 0.00 C ATOM 0 H ILE A 95 -7.858 -2.166 1.519 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.426 0.339 1.488 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.973 -0.213 -0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.988 -2.603 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.313 -2.035 -0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.874 -2.389 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.644 -1.313 0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.819 -2.646 1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.638 -1.359 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.423 0.073 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.078 -0.503 -2.808 1.00 0.00 H new ATOM 1373 N LYS A 96 -9.437 0.151 0.217 1.00 0.00 N ATOM 1374 CA LYS A 96 -10.560 0.950 -0.241 1.00 0.00 C ATOM 1375 C LYS A 96 -10.984 1.910 0.872 1.00 0.00 C ATOM 1376 O LYS A 96 -11.500 2.993 0.599 1.00 0.00 O ATOM 1377 CB LYS A 96 -11.692 0.049 -0.739 1.00 0.00 C ATOM 1378 CG LYS A 96 -12.848 0.879 -1.300 1.00 0.00 C ATOM 1379 CD LYS A 96 -13.845 -0.006 -2.050 1.00 0.00 C ATOM 1380 CE LYS A 96 -15.054 0.805 -2.520 1.00 0.00 C ATOM 1381 NZ LYS A 96 -15.965 1.081 -1.387 1.00 0.00 N ATOM 0 H LYS A 96 -9.625 -0.849 0.284 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.269 1.560 -1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.314 -0.623 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.051 -0.575 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.356 1.397 -0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.459 1.644 -1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.355 -0.465 -2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.177 -0.817 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.720 1.743 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.587 0.257 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.813 1.573 -1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.244 0.185 -0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.479 1.680 -0.689 1.00 0.00 H new ATOM 1391 N GLN A 97 -10.751 1.478 2.103 1.00 0.00 N ATOM 1392 CA GLN A 97 -11.103 2.287 3.259 1.00 0.00 C ATOM 1393 C GLN A 97 -10.001 3.309 3.546 1.00 0.00 C ATOM 1394 O GLN A 97 -10.286 4.475 3.816 1.00 0.00 O ATOM 1395 CB GLN A 97 -11.368 1.408 4.482 1.00 0.00 C ATOM 1396 CG GLN A 97 -12.849 1.035 4.579 1.00 0.00 C ATOM 1397 CD GLN A 97 -13.470 1.586 5.864 1.00 0.00 C ATOM 1398 OE1 GLN A 97 -14.143 2.603 5.872 1.00 0.00 O ATOM 1399 NE2 GLN A 97 -13.205 0.861 6.948 1.00 0.00 N ATOM 0 H GLN A 97 -10.323 0.579 2.325 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.023 2.827 3.035 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.765 0.502 4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.062 1.935 5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.384 1.428 3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.957 -0.049 4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.634 0.019 6.871 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.573 1.147 7.855 1.00 0.00 H new ATOM 1406 N ILE A 98 -8.765 2.834 3.479 1.00 0.00 N ATOM 1407 CA ILE A 98 -7.620 3.693 3.729 1.00 0.00 C ATOM 1408 C ILE A 98 -7.470 4.684 2.573 1.00 0.00 C ATOM 1409 O ILE A 98 -6.719 5.654 2.677 1.00 0.00 O ATOM 1410 CB ILE A 98 -6.367 2.852 3.985 1.00 0.00 C ATOM 1411 CG1 ILE A 98 -5.905 2.986 5.438 1.00 0.00 C ATOM 1412 CG2 ILE A 98 -5.256 3.208 2.995 1.00 0.00 C ATOM 1413 CD1 ILE A 98 -6.984 2.491 6.404 1.00 0.00 C ATOM 0 H ILE A 98 -8.532 1.866 3.255 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.773 4.280 4.635 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.619 1.804 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.989 2.414 5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.669 4.028 5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.377 2.596 3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.601 3.020 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.997 4.261 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.631 2.597 7.430 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.891 3.081 6.270 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.200 1.442 6.201 1.00 0.00 H new ATOM 1424 N LEU A 99 -8.194 4.407 1.500 1.00 0.00 N ATOM 1425 CA LEU A 99 -8.151 5.264 0.327 1.00 0.00 C ATOM 1426 C LEU A 99 -9.476 6.018 0.202 1.00 0.00 C ATOM 1427 O LEU A 99 -9.561 7.017 -0.510 1.00 0.00 O ATOM 1428 CB LEU A 99 -7.788 4.450 -0.917 1.00 0.00 C ATOM 1429 CG LEU A 99 -6.469 3.676 -0.851 1.00 0.00 C ATOM 1430 CD1 LEU A 99 -6.478 2.495 -1.823 1.00 0.00 C ATOM 1431 CD2 LEU A 99 -5.276 4.604 -1.085 1.00 0.00 C ATOM 0 H LEU A 99 -8.814 3.601 1.417 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.366 6.013 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.593 3.741 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.747 5.127 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.363 3.265 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.530 1.962 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.293 1.819 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.617 2.862 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.352 4.029 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.361 5.065 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.264 5.381 -0.320 1.00 0.00 H new ATOM 1442 N SER A 100 -10.477 5.512 0.907 1.00 0.00 N ATOM 1443 CA SER A 100 -11.794 6.125 0.884 1.00 0.00 C ATOM 1444 C SER A 100 -12.006 6.957 2.150 1.00 0.00 C ATOM 1445 O SER A 100 -12.983 7.696 2.256 1.00 0.00 O ATOM 1446 CB SER A 100 -12.892 5.069 0.753 1.00 0.00 C ATOM 1447 OG SER A 100 -14.195 5.647 0.763 1.00 0.00 O ATOM 0 H SER A 100 -10.402 4.684 1.498 1.00 0.00 H new ATOM 0 HA SER A 100 -11.851 6.778 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.750 4.512 -0.173 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.807 4.354 1.571 1.00 0.00 H new ATOM 0 HG SER A 100 -14.175 6.491 1.260 1.00 0.00 H new ATOM 1452 N ILE A 101 -11.074 6.808 3.080 1.00 0.00 N ATOM 1453 CA ILE A 101 -11.147 7.535 4.336 1.00 0.00 C ATOM 1454 C ILE A 101 -11.056 9.036 4.056 1.00 0.00 C ATOM 1455 O ILE A 101 -11.248 9.852 4.957 1.00 0.00 O ATOM 1456 CB ILE A 101 -10.085 7.026 5.313 1.00 0.00 C ATOM 1457 CG1 ILE A 101 -8.734 6.856 4.615 1.00 0.00 C ATOM 1458 CG2 ILE A 101 -10.543 5.736 5.997 1.00 0.00 C ATOM 1459 CD1 ILE A 101 -7.596 6.786 5.634 1.00 0.00 C ATOM 0 H ILE A 101 -10.264 6.194 2.989 1.00 0.00 H new ATOM 0 HA ILE A 101 -12.106 7.358 4.824 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.952 7.775 6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.744 5.948 4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.566 7.689 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.770 5.395 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.464 5.924 6.549 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -10.721 4.968 5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.647 6.665 5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.574 7.706 6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.755 5.937 6.299 1.00 0.00 H new ATOM 1470 N SER A 102 -10.761 9.356 2.805 1.00 0.00 N ATOM 1471 CA SER A 102 -10.641 10.745 2.395 1.00 0.00 C ATOM 1472 C SER A 102 -9.175 11.180 2.443 1.00 0.00 C ATOM 1473 O SER A 102 -8.876 12.336 2.742 1.00 0.00 O ATOM 1474 CB SER A 102 -11.495 11.656 3.280 1.00 0.00 C ATOM 1475 OG SER A 102 -11.856 12.862 2.614 1.00 0.00 O ATOM 0 H SER A 102 -10.601 8.677 2.061 1.00 0.00 H new ATOM 0 HA SER A 102 -11.006 10.833 1.372 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.398 11.125 3.582 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.946 11.895 4.191 1.00 0.00 H new ATOM 0 HG SER A 102 -12.402 13.415 3.212 1.00 0.00 H new ATOM 1480 N VAL A 103 -8.300 10.232 2.143 1.00 0.00 N ATOM 1481 CA VAL A 103 -6.872 10.503 2.148 1.00 0.00 C ATOM 1482 C VAL A 103 -6.320 10.329 0.731 1.00 0.00 C ATOM 1483 O VAL A 103 -5.412 11.052 0.323 1.00 0.00 O ATOM 1484 CB VAL A 103 -6.173 9.610 3.175 1.00 0.00 C ATOM 1485 CG1 VAL A 103 -6.744 9.838 4.577 1.00 0.00 C ATOM 1486 CG2 VAL A 103 -6.269 8.136 2.777 1.00 0.00 C ATOM 0 H VAL A 103 -8.552 9.275 1.895 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.680 11.533 2.449 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.118 9.883 3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -6.230 9.191 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.600 10.880 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.809 9.605 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -5.764 7.524 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -7.317 7.843 2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.794 7.989 1.807 1.00 0.00 H new ATOM 1496 N SER A 104 -6.891 9.368 0.021 1.00 0.00 N ATOM 1497 CA SER A 104 -6.467 9.091 -1.340 1.00 0.00 C ATOM 1498 C SER A 104 -7.602 9.408 -2.317 1.00 0.00 C ATOM 1499 O SER A 104 -7.354 9.814 -3.451 1.00 0.00 O ATOM 1500 CB SER A 104 -6.026 7.634 -1.494 1.00 0.00 C ATOM 1501 OG SER A 104 -5.492 7.371 -2.789 1.00 0.00 O ATOM 0 H SER A 104 -7.644 8.771 0.363 1.00 0.00 H new ATOM 0 HA SER A 104 -5.612 9.727 -1.568 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.276 7.401 -0.738 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.876 6.977 -1.312 1.00 0.00 H new ATOM 0 HG SER A 104 -4.565 7.066 -2.705 1.00 0.00 H new ATOM 1506 N GLU A 105 -8.822 9.210 -1.839 1.00 0.00 N ATOM 1507 CA GLU A 105 -9.995 9.470 -2.656 1.00 0.00 C ATOM 1508 C GLU A 105 -10.300 10.969 -2.686 1.00 0.00 C ATOM 1509 O GLU A 105 -11.230 11.404 -3.364 1.00 0.00 O ATOM 1510 CB GLU A 105 -11.201 8.676 -2.152 1.00 0.00 C ATOM 1511 CG GLU A 105 -11.276 7.304 -2.827 1.00 0.00 C ATOM 1512 CD GLU A 105 -12.561 6.570 -2.438 1.00 0.00 C ATOM 1513 OE1 GLU A 105 -13.460 7.249 -1.898 1.00 0.00 O ATOM 1514 OE2 GLU A 105 -12.613 5.347 -2.688 1.00 0.00 O ATOM 0 H GLU A 105 -9.023 8.873 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.784 9.141 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.132 8.550 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.116 9.233 -2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.236 7.425 -3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.411 6.706 -2.541 1.00 0.00 H new ATOM 1519 N GLU A 106 -9.500 11.719 -1.940 1.00 0.00 N ATOM 1520 CA GLU A 106 -9.673 13.160 -1.872 1.00 0.00 C ATOM 1521 C GLU A 106 -9.460 13.785 -3.253 1.00 0.00 C ATOM 1522 O GLU A 106 -9.795 14.948 -3.468 1.00 0.00 O ATOM 1523 CB GLU A 106 -8.729 13.776 -0.838 1.00 0.00 C ATOM 1524 CG GLU A 106 -9.515 14.479 0.271 1.00 0.00 C ATOM 1525 CD GLU A 106 -8.781 15.731 0.755 1.00 0.00 C ATOM 1526 OE1 GLU A 106 -8.168 16.397 -0.108 1.00 0.00 O ATOM 1527 OE2 GLU A 106 -8.850 15.994 1.974 1.00 0.00 O ATOM 0 H GLU A 106 -8.731 11.355 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 106 -10.694 13.371 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.100 12.998 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.065 14.489 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -10.504 14.752 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.663 13.795 1.106 1.00 0.00 H new ATOM 1532 N GLY A 107 -8.903 12.985 -4.150 1.00 0.00 N ATOM 1533 CA GLY A 107 -8.640 13.446 -5.503 1.00 0.00 C ATOM 1534 C GLY A 107 -9.889 13.318 -6.377 1.00 0.00 C ATOM 1535 O GLY A 107 -9.826 12.779 -7.480 1.00 0.00 O ATOM 0 H GLY A 107 -8.626 12.020 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.313 14.485 -5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.826 12.865 -5.937 1.00 0.00 H new ATOM 1539 N GLU A 108 -10.995 13.825 -5.851 1.00 0.00 N ATOM 1540 CA GLU A 108 -12.257 13.774 -6.570 1.00 0.00 C ATOM 1541 C GLU A 108 -12.909 12.400 -6.402 1.00 0.00 C ATOM 1542 O GLU A 108 -13.397 11.817 -7.369 1.00 0.00 O ATOM 1543 CB GLU A 108 -12.058 14.109 -8.050 1.00 0.00 C ATOM 1544 CG GLU A 108 -13.267 14.861 -8.609 1.00 0.00 C ATOM 1545 CD GLU A 108 -13.268 14.840 -10.139 1.00 0.00 C ATOM 1546 OE1 GLU A 108 -12.886 13.785 -10.691 1.00 0.00 O ATOM 1547 OE2 GLU A 108 -13.650 15.878 -10.721 1.00 0.00 O ATOM 0 H GLU A 108 -11.043 14.273 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.924 14.525 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.160 14.715 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.902 13.191 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.186 14.409 -8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.253 15.892 -8.256 1.00 0.00 H new ATOM 1552 N LYS A 109 -12.896 11.922 -5.166 1.00 0.00 N ATOM 1553 CA LYS A 109 -13.481 10.627 -4.859 1.00 0.00 C ATOM 1554 C LYS A 109 -13.084 9.623 -5.942 1.00 0.00 C ATOM 1555 O LYS A 109 -13.937 9.122 -6.673 1.00 0.00 O ATOM 1556 CB LYS A 109 -14.992 10.755 -4.663 1.00 0.00 C ATOM 1557 CG LYS A 109 -15.393 10.386 -3.232 1.00 0.00 C ATOM 1558 CD LYS A 109 -16.715 9.616 -3.215 1.00 0.00 C ATOM 1559 CE LYS A 109 -17.113 9.242 -1.785 1.00 0.00 C ATOM 1560 NZ LYS A 109 -18.355 9.944 -1.393 1.00 0.00 N ATOM 0 H LYS A 109 -12.490 12.408 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.092 10.247 -3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -15.305 11.776 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -15.510 10.106 -5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.610 9.781 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.487 11.291 -2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -17.499 10.223 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.622 8.713 -3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.259 8.164 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.308 9.502 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.611 9.679 -0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.204 10.972 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -19.124 9.675 -2.039 1.00 0.00 H new