USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 909 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 37 SER OG : rot 63:sc= 0.126 USER MOD Set 1.2: A 42 ASN : amide:sc= -1.22 K(o=-1.1,f=-0.26) USER MOD Set 2.1: A 22 LYS NZ :NH3+ 148:sc= -0.424 (180deg=0) USER MOD Set 2.2: A 35 LYS NZ :NH3+ -144:sc= -2.34 (180deg=-3.03!) USER MOD Set 3.1: A 13 ASN : amide:sc= 0.776 X(o=1.6,f=1.1) USER MOD Set 3.2: A 15 SER OG : rot 104:sc= 0.836 USER MOD Single : A 1 ALA N :NH3+ 145:sc= 0.0171 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= 0.214 (180deg=-0.144) USER MOD Single : A 11 ASN : amide:sc= -0.379 K(o=-0.38,f=-2.9!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -0.203 K(o=-0.2,f=-1) USER MOD Single : A 20 ASN : amide:sc= -1.02! C(o=-1!,f=-2.3!) USER MOD Single : A 24 THR OG1 : rot 37:sc= -0.688 USER MOD Single : A 26 THR OG1 : rot -21:sc= 0.944 USER MOD Single : A 27 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.16) USER MOD Single : A 30 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.36) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 68:sc= -0.0696 USER MOD Single : A 61 THR OG1 : rot -22:sc= -0.984 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -34:sc= 0.944 USER MOD Single : A 69 MET CE :methyl -137:sc= -0.333 (180deg=-2.98!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.351) USER MOD Single : A 83 ASN : amide:sc= -5.04! K(o=-5!,f=-2.5) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 106:sc= 0.391 USER MOD Single : A 96 ASN : amide:sc= -0.283 K(o=-0.28,f=-5.9!) USER MOD Single : A 100 GLN : amide:sc= -0.557 K(o=-0.56,f=-2.8) USER MOD Single : A 101 THR OG1 : rot -4:sc= 0.229 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0863 USER MOD Single : A 104 TYR OH : rot 138:sc= 0.632 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0132) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.763 -12.469 2.713 1.00 0.00 N ATOM 2 CA ALA A 1 14.727 -11.604 3.859 1.00 0.00 C ATOM 3 C ALA A 1 13.465 -10.728 3.847 1.00 0.00 C ATOM 4 O ALA A 1 13.126 -10.191 2.802 1.00 0.00 O ATOM 5 CB ALA A 1 15.934 -10.657 3.905 1.00 0.00 C ATOM 0 H1 ALA A 1 15.747 -12.588 2.399 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.365 -13.396 2.965 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.203 -12.050 1.944 1.00 0.00 H new ATOM 0 HA ALA A 1 14.738 -12.260 4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.865 -10.022 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.853 -11.241 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.942 -10.035 3.010 1.00 0.00 H new ATOM 13 N PHE A 2 12.858 -10.663 5.060 1.00 0.00 N ATOM 14 CA PHE A 2 11.651 -9.851 5.161 1.00 0.00 C ATOM 15 C PHE A 2 11.630 -9.377 6.628 1.00 0.00 C ATOM 16 O PHE A 2 11.672 -8.170 6.855 1.00 0.00 O ATOM 17 CB PHE A 2 10.407 -10.679 4.861 1.00 0.00 C ATOM 18 CG PHE A 2 9.803 -10.472 3.485 1.00 0.00 C ATOM 19 CD1 PHE A 2 10.241 -11.241 2.419 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.834 -9.546 3.249 1.00 0.00 C ATOM 21 CE1 PHE A 2 9.672 -11.026 1.188 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.349 -9.436 1.947 1.00 0.00 C ATOM 23 CZ PHE A 2 8.798 -10.214 0.896 1.00 0.00 C ATOM 0 H PHE A 2 13.165 -11.130 5.913 1.00 0.00 H new ATOM 0 HA PHE A 2 11.653 -9.026 4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 2 10.658 -11.734 4.974 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.649 -10.449 5.610 1.00 0.00 H new ATOM 0 HD1 PHE A 2 11.009 -11.989 2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 2 8.454 -8.919 4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 2 10.036 -11.644 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.581 -8.703 1.748 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.409 -10.115 -0.107 1.00 0.00 H new ATOM 33 N ASP A 3 11.570 -10.422 7.471 1.00 0.00 N ATOM 34 CA ASP A 3 11.547 -10.168 8.873 1.00 0.00 C ATOM 35 C ASP A 3 12.305 -8.976 9.402 1.00 0.00 C ATOM 36 O ASP A 3 13.474 -9.077 9.759 1.00 0.00 O ATOM 37 CB ASP A 3 12.284 -11.394 9.497 1.00 0.00 C ATOM 38 CG ASP A 3 13.579 -11.733 8.785 1.00 0.00 C ATOM 39 OD1 ASP A 3 13.572 -12.110 7.615 1.00 0.00 O ATOM 40 OD2 ASP A 3 14.636 -11.631 9.397 1.00 0.00 O ATOM 0 H ASP A 3 11.539 -11.404 7.196 1.00 0.00 H new ATOM 0 HA ASP A 3 10.501 -9.985 9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.496 -11.188 10.546 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.623 -12.260 9.470 1.00 0.00 H new ATOM 45 N GLY A 4 11.580 -7.832 9.431 1.00 0.00 N ATOM 46 CA GLY A 4 12.329 -6.691 9.944 1.00 0.00 C ATOM 47 C GLY A 4 11.459 -5.484 9.660 1.00 0.00 C ATOM 48 O GLY A 4 10.362 -5.723 9.157 1.00 0.00 O ATOM 0 H GLY A 4 10.611 -7.689 9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.522 -6.795 11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.298 -6.603 9.452 1.00 0.00 H new ATOM 52 N THR A 5 11.991 -4.297 9.983 1.00 0.00 N ATOM 53 CA THR A 5 11.089 -3.169 9.669 1.00 0.00 C ATOM 54 C THR A 5 11.599 -2.667 8.321 1.00 0.00 C ATOM 55 O THR A 5 12.715 -3.055 7.936 1.00 0.00 O ATOM 56 CB THR A 5 11.361 -2.051 10.683 1.00 0.00 C ATOM 57 OG1 THR A 5 12.707 -1.691 10.689 1.00 0.00 O ATOM 58 CG2 THR A 5 10.992 -2.446 12.127 1.00 0.00 C ATOM 0 H THR A 5 12.901 -4.098 10.399 1.00 0.00 H new ATOM 0 HA THR A 5 10.035 -3.446 9.678 1.00 0.00 H new ATOM 0 HB THR A 5 10.733 -1.220 10.363 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.851 -0.976 11.343 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.207 -1.614 12.798 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.930 -2.688 12.178 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.577 -3.315 12.427 1.00 0.00 H new ATOM 66 N TRP A 6 10.813 -1.835 7.636 1.00 0.00 N ATOM 67 CA TRP A 6 11.122 -1.261 6.372 1.00 0.00 C ATOM 68 C TRP A 6 10.740 0.243 6.339 1.00 0.00 C ATOM 69 O TRP A 6 10.118 0.591 7.331 1.00 0.00 O ATOM 70 CB TRP A 6 10.300 -1.804 5.174 1.00 0.00 C ATOM 71 CG TRP A 6 10.487 -3.239 4.885 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.339 -4.233 5.871 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.830 -4.041 3.724 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.560 -5.427 5.361 1.00 0.00 N ATOM 75 CE2 TRP A 6 10.874 -5.400 4.025 1.00 0.00 C ATOM 76 CE3 TRP A 6 11.109 -3.700 2.429 1.00 0.00 C ATOM 77 CZ2 TRP A 6 11.164 -6.371 3.130 1.00 0.00 C ATOM 78 CZ3 TRP A 6 11.409 -4.695 1.518 1.00 0.00 C ATOM 79 CH2 TRP A 6 11.450 -6.027 1.823 1.00 0.00 C ATOM 0 H TRP A 6 9.901 -1.543 7.986 1.00 0.00 H new ATOM 0 HA TRP A 6 12.183 -1.491 6.270 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.243 -1.623 5.367 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.564 -1.233 4.284 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.080 -4.043 6.902 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.503 -6.288 5.906 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.095 -2.665 2.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.172 -7.407 3.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.625 -4.402 0.501 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.694 -6.772 1.080 1.00 0.00 H new ATOM 90 N LYS A 7 11.106 0.928 5.274 1.00 0.00 N ATOM 91 CA LYS A 7 10.818 2.314 5.075 1.00 0.00 C ATOM 92 C LYS A 7 10.903 3.259 6.279 1.00 0.00 C ATOM 93 O LYS A 7 11.206 2.913 7.380 1.00 0.00 O ATOM 94 CB LYS A 7 9.316 2.412 4.620 1.00 0.00 C ATOM 95 CG LYS A 7 9.332 1.659 3.337 1.00 0.00 C ATOM 96 CD LYS A 7 8.115 1.977 2.426 1.00 0.00 C ATOM 97 CE LYS A 7 6.814 2.356 3.063 1.00 0.00 C ATOM 98 NZ LYS A 7 5.643 1.759 2.401 1.00 0.00 N ATOM 0 H LYS A 7 11.629 0.511 4.504 1.00 0.00 H new ATOM 0 HA LYS A 7 11.589 2.635 4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.639 1.964 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.998 3.445 4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.251 1.891 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.348 0.590 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.405 2.790 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.934 1.103 1.801 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.827 2.049 4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.715 3.441 3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.829 1.783 3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.418 2.299 1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.854 0.773 2.146 1.00 0.00 H new ATOM 112 N VAL A 8 10.562 4.451 5.813 1.00 0.00 N ATOM 113 CA VAL A 8 10.384 5.672 6.563 1.00 0.00 C ATOM 114 C VAL A 8 10.533 5.632 8.048 1.00 0.00 C ATOM 115 O VAL A 8 9.976 4.930 8.861 1.00 0.00 O ATOM 116 CB VAL A 8 8.876 5.949 6.239 1.00 0.00 C ATOM 117 CG1 VAL A 8 8.020 6.479 7.362 1.00 0.00 C ATOM 118 CG2 VAL A 8 8.756 7.055 5.194 1.00 0.00 C ATOM 0 H VAL A 8 10.390 4.594 4.818 1.00 0.00 H new ATOM 0 HA VAL A 8 11.151 6.394 6.284 1.00 0.00 H new ATOM 0 HB VAL A 8 8.528 4.959 5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.001 6.627 7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.016 5.764 8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.424 7.430 7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.704 7.238 4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.212 7.968 5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.267 6.750 4.281 1.00 0.00 H new ATOM 128 N ASP A 9 11.443 6.549 8.453 1.00 0.00 N ATOM 129 CA ASP A 9 11.723 6.664 9.872 1.00 0.00 C ATOM 130 C ASP A 9 10.599 7.576 10.427 1.00 0.00 C ATOM 131 O ASP A 9 10.038 7.242 11.457 1.00 0.00 O ATOM 132 CB ASP A 9 13.115 7.189 10.134 1.00 0.00 C ATOM 133 CG ASP A 9 13.266 8.566 9.476 1.00 0.00 C ATOM 134 OD1 ASP A 9 13.335 8.742 8.263 1.00 0.00 O ATOM 135 OD2 ASP A 9 13.307 9.484 10.290 1.00 0.00 O ATOM 0 H ASP A 9 11.962 7.181 7.843 1.00 0.00 H new ATOM 0 HA ASP A 9 11.719 5.697 10.376 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.293 7.264 11.207 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.858 6.499 9.735 1.00 0.00 H new ATOM 140 N ARG A 10 10.313 8.686 9.732 1.00 0.00 N ATOM 141 CA ARG A 10 9.285 9.617 10.147 1.00 0.00 C ATOM 142 C ARG A 10 9.421 10.147 11.564 1.00 0.00 C ATOM 143 O ARG A 10 9.200 9.531 12.593 1.00 0.00 O ATOM 144 CB ARG A 10 7.884 8.977 10.030 1.00 0.00 C ATOM 145 CG ARG A 10 6.781 10.018 10.277 1.00 0.00 C ATOM 146 CD ARG A 10 5.461 9.736 9.563 1.00 0.00 C ATOM 147 NE ARG A 10 4.467 10.635 10.126 1.00 0.00 N ATOM 148 CZ ARG A 10 3.166 10.571 9.754 1.00 0.00 C ATOM 149 NH1 ARG A 10 2.733 9.691 8.869 1.00 0.00 N ATOM 150 NH2 ARG A 10 2.260 11.417 10.271 1.00 0.00 N ATOM 0 H ARG A 10 10.792 8.952 8.872 1.00 0.00 H new ATOM 0 HA ARG A 10 9.413 10.460 9.468 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.761 8.540 9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.790 8.164 10.750 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.592 10.079 11.349 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.147 10.995 9.962 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.562 9.898 8.490 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.163 8.697 9.702 1.00 0.00 H new ATOM 0 HE ARG A 10 4.755 11.329 10.816 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.385 9.032 8.443 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.746 9.670 8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.548 12.119 10.953 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.284 11.358 9.982 1.00 0.00 H new ATOM 164 N ASN A 11 9.835 11.441 11.617 1.00 0.00 N ATOM 165 CA ASN A 11 10.028 12.130 12.881 1.00 0.00 C ATOM 166 C ASN A 11 8.678 12.333 13.588 1.00 0.00 C ATOM 167 O ASN A 11 8.706 12.668 14.759 1.00 0.00 O ATOM 168 CB ASN A 11 10.606 13.508 12.581 1.00 0.00 C ATOM 169 CG ASN A 11 11.942 13.424 11.856 1.00 0.00 C ATOM 170 OD1 ASN A 11 12.345 12.416 11.276 1.00 0.00 O ATOM 171 ND2 ASN A 11 12.574 14.623 11.964 1.00 0.00 N ATOM 0 H ASN A 11 10.035 12.008 10.793 1.00 0.00 H new ATOM 0 HA ASN A 11 10.690 11.542 13.517 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.899 14.072 11.973 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.734 14.058 13.514 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.489 14.758 11.534 1.00 0.00 H new ATOM 0 HD22 ASN A 11 12.133 15.388 12.475 1.00 0.00 H new ATOM 178 N GLU A 12 7.603 12.114 12.822 1.00 0.00 N ATOM 179 CA GLU A 12 6.235 12.256 13.313 1.00 0.00 C ATOM 180 C GLU A 12 6.042 13.722 13.686 1.00 0.00 C ATOM 181 O GLU A 12 6.425 14.120 14.793 1.00 0.00 O ATOM 182 CB GLU A 12 6.074 11.281 14.488 1.00 0.00 C ATOM 183 CG GLU A 12 4.617 11.093 14.908 1.00 0.00 C ATOM 184 CD GLU A 12 3.896 10.034 14.041 1.00 0.00 C ATOM 185 OE1 GLU A 12 3.737 10.236 12.841 1.00 0.00 O ATOM 186 OE2 GLU A 12 3.542 9.052 14.686 1.00 0.00 O ATOM 0 H GLU A 12 7.661 11.833 11.843 1.00 0.00 H new ATOM 0 HA GLU A 12 5.468 12.007 12.580 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.495 10.314 14.212 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.648 11.647 15.339 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.577 10.792 15.955 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.091 12.045 14.830 1.00 0.00 H new ATOM 193 N ASN A 13 5.442 14.501 12.744 1.00 0.00 N ATOM 194 CA ASN A 13 5.240 15.919 13.073 1.00 0.00 C ATOM 195 C ASN A 13 3.942 16.263 12.319 1.00 0.00 C ATOM 196 O ASN A 13 3.840 15.990 11.132 1.00 0.00 O ATOM 197 CB ASN A 13 6.428 16.752 12.607 1.00 0.00 C ATOM 198 CG ASN A 13 6.004 18.148 12.137 1.00 0.00 C ATOM 199 OD1 ASN A 13 5.822 18.324 10.942 1.00 0.00 O ATOM 200 ND2 ASN A 13 5.880 19.044 13.135 1.00 0.00 N ATOM 0 H ASN A 13 5.117 14.195 11.827 1.00 0.00 H new ATOM 0 HA ASN A 13 5.162 16.123 14.141 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.146 16.847 13.422 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.936 16.235 11.793 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.603 20.003 12.928 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.063 18.763 14.098 1.00 0.00 H new ATOM 207 N TYR A 14 3.032 16.852 13.100 1.00 0.00 N ATOM 208 CA TYR A 14 1.769 17.220 12.488 1.00 0.00 C ATOM 209 C TYR A 14 2.018 18.385 11.537 1.00 0.00 C ATOM 210 O TYR A 14 2.776 19.312 11.830 1.00 0.00 O ATOM 211 CB TYR A 14 0.814 17.618 13.631 1.00 0.00 C ATOM 212 CG TYR A 14 -0.096 16.486 14.000 1.00 0.00 C ATOM 213 CD1 TYR A 14 0.280 15.272 14.545 1.00 0.00 C ATOM 214 CD2 TYR A 14 -1.465 16.553 13.821 1.00 0.00 C ATOM 215 CE1 TYR A 14 -0.629 14.262 14.867 1.00 0.00 C ATOM 216 CE2 TYR A 14 -2.328 15.511 14.160 1.00 0.00 C ATOM 217 CZ TYR A 14 -1.993 14.432 14.646 1.00 0.00 C ATOM 218 OH TYR A 14 -2.942 13.498 14.933 1.00 0.00 O ATOM 0 H TYR A 14 3.138 17.070 14.091 1.00 0.00 H new ATOM 0 HA TYR A 14 1.329 16.404 11.915 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.394 17.920 14.503 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.220 18.481 13.328 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.329 15.096 14.731 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.886 17.454 13.399 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.269 13.337 15.293 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.382 15.665 13.980 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.826 13.845 14.692 1.00 0.00 H new ATOM 228 N SER A 15 1.344 18.302 10.375 1.00 0.00 N ATOM 229 CA SER A 15 1.543 19.385 9.435 1.00 0.00 C ATOM 230 C SER A 15 0.322 19.365 8.522 1.00 0.00 C ATOM 231 O SER A 15 -0.695 18.765 8.883 1.00 0.00 O ATOM 232 CB SER A 15 2.841 19.076 8.658 1.00 0.00 C ATOM 233 OG SER A 15 3.938 19.598 9.380 1.00 0.00 O ATOM 0 H SER A 15 0.709 17.555 10.091 1.00 0.00 H new ATOM 0 HA SER A 15 1.643 20.367 9.897 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.954 18.000 8.525 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.799 19.518 7.662 1.00 0.00 H new ATOM 0 HG SER A 15 4.409 18.868 9.833 1.00 0.00 H new ATOM 239 N GLY A 16 0.501 20.037 7.366 1.00 0.00 N ATOM 240 CA GLY A 16 -0.564 20.109 6.394 1.00 0.00 C ATOM 241 C GLY A 16 -1.082 18.686 6.082 1.00 0.00 C ATOM 242 O GLY A 16 -2.060 18.179 6.593 1.00 0.00 O ATOM 0 H GLY A 16 1.359 20.521 7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.377 20.727 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.205 20.584 5.481 1.00 0.00 H new ATOM 246 N ALA A 17 -0.339 18.023 5.163 1.00 0.00 N ATOM 247 CA ALA A 17 -0.694 16.662 4.756 1.00 0.00 C ATOM 248 C ALA A 17 0.626 15.932 4.546 1.00 0.00 C ATOM 249 O ALA A 17 1.404 16.303 3.676 1.00 0.00 O ATOM 250 CB ALA A 17 -1.477 16.791 3.454 1.00 0.00 C ATOM 0 H ALA A 17 0.488 18.406 4.705 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.299 16.119 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.768 15.800 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.370 17.392 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.854 17.273 2.701 1.00 0.00 H new ATOM 256 N HIS A 18 0.856 14.879 5.369 1.00 0.00 N ATOM 257 CA HIS A 18 2.088 14.113 5.252 1.00 0.00 C ATOM 258 C HIS A 18 1.736 12.654 4.913 1.00 0.00 C ATOM 259 O HIS A 18 1.056 12.014 5.730 1.00 0.00 O ATOM 260 CB HIS A 18 2.898 14.231 6.534 1.00 0.00 C ATOM 261 CG HIS A 18 4.064 15.180 6.296 1.00 0.00 C ATOM 262 ND1 HIS A 18 3.971 16.268 5.520 1.00 0.00 N ATOM 263 CD2 HIS A 18 5.357 15.092 6.816 1.00 0.00 C ATOM 264 CE1 HIS A 18 5.139 16.905 5.499 1.00 0.00 C ATOM 265 NE2 HIS A 18 6.084 16.121 6.371 1.00 0.00 N ATOM 0 H HIS A 18 0.216 14.560 6.096 1.00 0.00 H new ATOM 0 HA HIS A 18 2.709 14.507 4.448 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.270 14.602 7.344 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.266 13.251 6.839 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.132 16.563 5.021 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.714 14.314 7.475 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.366 17.812 4.959 1.00 0.00 H new ATOM 274 N ASP A 19 2.225 12.219 3.729 1.00 0.00 N ATOM 275 CA ASP A 19 1.966 10.849 3.283 1.00 0.00 C ATOM 276 C ASP A 19 3.204 9.951 3.437 1.00 0.00 C ATOM 277 O ASP A 19 3.958 9.909 2.499 1.00 0.00 O ATOM 278 CB ASP A 19 1.563 10.954 1.833 1.00 0.00 C ATOM 279 CG ASP A 19 0.548 12.089 1.632 1.00 0.00 C ATOM 280 OD1 ASP A 19 -0.493 12.126 2.295 1.00 0.00 O ATOM 281 OD2 ASP A 19 0.818 12.953 0.795 1.00 0.00 O ATOM 0 H ASP A 19 2.783 12.784 3.089 1.00 0.00 H new ATOM 0 HA ASP A 19 1.186 10.389 3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.444 11.135 1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.131 10.010 1.501 1.00 0.00 H new ATOM 286 N ASN A 20 3.207 9.358 4.651 1.00 0.00 N ATOM 287 CA ASN A 20 4.322 8.473 4.955 1.00 0.00 C ATOM 288 C ASN A 20 3.814 7.140 5.554 1.00 0.00 C ATOM 289 O ASN A 20 3.082 7.134 6.537 1.00 0.00 O ATOM 290 CB ASN A 20 5.231 9.280 5.877 1.00 0.00 C ATOM 291 CG ASN A 20 5.323 10.703 5.331 1.00 0.00 C ATOM 292 OD1 ASN A 20 4.550 11.557 5.672 1.00 0.00 O ATOM 293 ND2 ASN A 20 6.340 10.848 4.456 1.00 0.00 N ATOM 0 H ASN A 20 2.502 9.470 5.379 1.00 0.00 H new ATOM 0 HA ASN A 20 4.883 8.163 4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.833 9.287 6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.221 8.827 5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.509 11.752 4.015 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.940 10.053 4.235 1.00 0.00 H new ATOM 300 N LEU A 21 4.276 6.085 4.874 1.00 0.00 N ATOM 301 CA LEU A 21 3.892 4.749 5.310 1.00 0.00 C ATOM 302 C LEU A 21 5.234 4.153 5.828 1.00 0.00 C ATOM 303 O LEU A 21 6.137 4.962 5.880 1.00 0.00 O ATOM 304 CB LEU A 21 3.382 3.924 4.154 1.00 0.00 C ATOM 305 CG LEU A 21 2.317 4.589 3.268 1.00 0.00 C ATOM 306 CD1 LEU A 21 2.948 5.684 2.400 1.00 0.00 C ATOM 307 CD2 LEU A 21 1.694 3.579 2.279 1.00 0.00 C ATOM 0 H LEU A 21 4.887 6.128 4.058 1.00 0.00 H new ATOM 0 HA LEU A 21 3.094 4.762 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.230 3.652 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.969 2.997 4.550 1.00 0.00 H new ATOM 0 HG LEU A 21 1.563 4.989 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.179 6.144 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.399 6.442 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.715 5.246 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.945 4.083 1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.474 3.172 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.223 2.768 2.835 1.00 0.00 H new ATOM 319 N LYS A 22 5.186 2.872 6.135 1.00 0.00 N ATOM 320 CA LYS A 22 6.244 2.051 6.633 1.00 0.00 C ATOM 321 C LYS A 22 5.852 0.645 6.065 1.00 0.00 C ATOM 322 O LYS A 22 4.775 0.449 5.571 1.00 0.00 O ATOM 323 CB LYS A 22 6.144 1.713 8.154 1.00 0.00 C ATOM 324 CG LYS A 22 4.797 1.998 8.828 1.00 0.00 C ATOM 325 CD LYS A 22 4.768 2.203 10.330 1.00 0.00 C ATOM 326 CE LYS A 22 6.018 1.791 11.118 1.00 0.00 C ATOM 327 NZ LYS A 22 5.989 2.315 12.486 1.00 0.00 N ATOM 0 H LYS A 22 4.321 2.342 6.028 1.00 0.00 H new ATOM 0 HA LYS A 22 7.191 2.536 6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.375 0.656 8.285 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.915 2.275 8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.376 2.890 8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.127 1.170 8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.580 3.259 10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.919 1.649 10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.090 0.704 11.145 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.908 2.156 10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.474 1.651 13.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.470 3.237 12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.002 2.430 12.793 1.00 0.00 H new ATOM 341 N LEU A 23 6.899 -0.128 6.264 1.00 0.00 N ATOM 342 CA LEU A 23 6.757 -1.521 5.840 1.00 0.00 C ATOM 343 C LEU A 23 7.495 -2.172 7.053 1.00 0.00 C ATOM 344 O LEU A 23 8.298 -1.383 7.533 1.00 0.00 O ATOM 345 CB LEU A 23 7.177 -1.903 4.477 1.00 0.00 C ATOM 346 CG LEU A 23 6.025 -1.970 3.434 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.690 -2.227 2.064 1.00 0.00 C ATOM 348 CD2 LEU A 23 5.053 -3.113 3.561 1.00 0.00 C ATOM 0 H LEU A 23 7.790 0.143 6.680 1.00 0.00 H new ATOM 0 HA LEU A 23 5.733 -1.853 5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.923 -1.189 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.665 -2.877 4.522 1.00 0.00 H new ATOM 0 HG LEU A 23 5.472 -1.041 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.923 -2.283 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.377 -1.412 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.241 -3.167 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.302 -3.041 2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.588 -4.058 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.564 -3.068 4.534 1.00 0.00 H new ATOM 360 N THR A 24 7.187 -3.389 7.388 1.00 0.00 N ATOM 361 CA THR A 24 7.800 -4.104 8.518 1.00 0.00 C ATOM 362 C THR A 24 7.080 -5.455 8.621 1.00 0.00 C ATOM 363 O THR A 24 6.236 -5.723 9.446 1.00 0.00 O ATOM 364 CB THR A 24 7.621 -3.341 9.817 1.00 0.00 C ATOM 365 OG1 THR A 24 8.304 -2.102 9.929 1.00 0.00 O ATOM 366 CG2 THR A 24 7.897 -4.106 11.108 1.00 0.00 C ATOM 0 H THR A 24 6.491 -3.942 6.887 1.00 0.00 H new ATOM 0 HA THR A 24 8.871 -4.220 8.352 1.00 0.00 H new ATOM 0 HB THR A 24 6.550 -3.161 9.723 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.298 -1.646 9.062 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.733 -3.449 11.962 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.225 -4.962 11.174 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.930 -4.454 11.111 1.00 0.00 H new ATOM 374 N ILE A 25 7.494 -6.323 7.687 1.00 0.00 N ATOM 375 CA ILE A 25 6.849 -7.617 7.744 1.00 0.00 C ATOM 376 C ILE A 25 7.597 -8.551 8.652 1.00 0.00 C ATOM 377 O ILE A 25 8.780 -8.313 8.863 1.00 0.00 O ATOM 378 CB ILE A 25 6.807 -8.047 6.269 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.205 -7.022 5.336 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.013 -9.354 6.120 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.266 -6.172 4.594 1.00 0.00 C ATOM 0 H ILE A 25 8.195 -6.171 6.962 1.00 0.00 H new ATOM 0 HA ILE A 25 5.848 -7.609 8.175 1.00 0.00 H new ATOM 0 HB ILE A 25 7.851 -8.173 5.981 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.580 -7.531 4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.553 -6.360 5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.990 -9.648 5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.491 -10.139 6.707 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.994 -9.203 6.477 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.767 -5.456 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.876 -5.636 5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.903 -6.825 3.997 1.00 0.00 H new ATOM 393 N THR A 26 6.939 -9.584 9.176 1.00 0.00 N ATOM 394 CA THR A 26 7.771 -10.404 10.030 1.00 0.00 C ATOM 395 C THR A 26 7.004 -11.720 10.322 1.00 0.00 C ATOM 396 O THR A 26 6.436 -11.916 11.375 1.00 0.00 O ATOM 397 CB THR A 26 8.066 -9.786 11.367 1.00 0.00 C ATOM 398 OG1 THR A 26 8.707 -8.529 11.380 1.00 0.00 O ATOM 399 CG2 THR A 26 8.980 -10.771 12.156 1.00 0.00 C ATOM 0 H THR A 26 5.962 -9.847 9.047 1.00 0.00 H new ATOM 0 HA THR A 26 8.715 -10.544 9.502 1.00 0.00 H new ATOM 0 HB THR A 26 7.083 -9.608 11.803 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.172 -8.390 10.529 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.212 -10.348 13.134 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.464 -11.722 12.285 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.905 -10.932 11.602 1.00 0.00 H new ATOM 407 N GLN A 27 7.095 -12.534 9.247 1.00 0.00 N ATOM 408 CA GLN A 27 6.416 -13.780 9.432 1.00 0.00 C ATOM 409 C GLN A 27 6.843 -14.590 10.663 1.00 0.00 C ATOM 410 O GLN A 27 7.945 -14.385 11.151 1.00 0.00 O ATOM 411 CB GLN A 27 6.545 -14.600 8.124 1.00 0.00 C ATOM 412 CG GLN A 27 7.983 -14.974 7.874 1.00 0.00 C ATOM 413 CD GLN A 27 8.650 -14.252 6.698 1.00 0.00 C ATOM 414 OE1 GLN A 27 8.049 -14.229 5.637 1.00 0.00 O ATOM 415 NE2 GLN A 27 9.828 -13.740 7.026 1.00 0.00 N ATOM 0 H GLN A 27 7.572 -12.365 8.361 1.00 0.00 H new ATOM 0 HA GLN A 27 5.373 -13.547 9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.935 -15.501 8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.163 -14.019 7.285 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.557 -14.770 8.778 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.037 -16.048 7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.187 -13.853 7.974 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.375 -13.233 6.331 1.00 0.00 H new ATOM 424 N GLU A 28 5.888 -15.467 11.060 1.00 0.00 N ATOM 425 CA GLU A 28 6.080 -16.351 12.217 1.00 0.00 C ATOM 426 C GLU A 28 5.587 -17.736 11.734 1.00 0.00 C ATOM 427 O GLU A 28 4.629 -18.188 12.371 1.00 0.00 O ATOM 428 CB GLU A 28 5.264 -15.792 13.357 1.00 0.00 C ATOM 429 CG GLU A 28 3.906 -15.192 12.974 1.00 0.00 C ATOM 430 CD GLU A 28 3.399 -14.408 14.189 1.00 0.00 C ATOM 431 OE1 GLU A 28 3.781 -13.240 14.292 1.00 0.00 O ATOM 432 OE2 GLU A 28 2.648 -15.002 14.960 1.00 0.00 O ATOM 0 H GLU A 28 4.987 -15.574 10.595 1.00 0.00 H new ATOM 0 HA GLU A 28 7.107 -16.431 12.574 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.097 -16.587 14.083 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.852 -15.022 13.857 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.005 -14.538 12.108 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.201 -15.978 12.701 1.00 0.00 H new ATOM 439 N GLY A 29 6.264 -18.249 10.701 1.00 0.00 N ATOM 440 CA GLY A 29 5.784 -19.555 10.264 1.00 0.00 C ATOM 441 C GLY A 29 5.543 -19.332 8.744 1.00 0.00 C ATOM 442 O GLY A 29 6.494 -19.452 8.004 1.00 0.00 O ATOM 0 H GLY A 29 7.054 -17.837 10.203 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.518 -20.340 10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.870 -19.846 10.782 1.00 0.00 H new ATOM 446 N ASN A 30 4.253 -19.029 8.567 1.00 0.00 N ATOM 447 CA ASN A 30 3.690 -18.763 7.296 1.00 0.00 C ATOM 448 C ASN A 30 2.585 -17.712 7.521 1.00 0.00 C ATOM 449 O ASN A 30 1.733 -17.673 6.636 1.00 0.00 O ATOM 450 CB ASN A 30 2.930 -19.981 6.728 1.00 0.00 C ATOM 451 CG ASN A 30 3.722 -21.242 6.879 1.00 0.00 C ATOM 452 OD1 ASN A 30 4.886 -21.311 6.445 1.00 0.00 O ATOM 453 ND2 ASN A 30 3.133 -22.269 7.493 1.00 0.00 N ATOM 0 H ASN A 30 3.583 -18.968 9.334 1.00 0.00 H new ATOM 0 HA ASN A 30 4.496 -18.470 6.624 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.975 -20.087 7.242 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.708 -19.814 5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.639 -23.146 7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.177 -22.178 7.837 1.00 0.00 H new ATOM 460 N LYS A 31 2.693 -16.989 8.622 1.00 0.00 N ATOM 461 CA LYS A 31 1.655 -16.000 8.823 1.00 0.00 C ATOM 462 C LYS A 31 2.483 -14.701 9.008 1.00 0.00 C ATOM 463 O LYS A 31 3.338 -14.788 9.885 1.00 0.00 O ATOM 464 CB LYS A 31 0.747 -16.336 9.972 1.00 0.00 C ATOM 465 CG LYS A 31 0.068 -15.051 10.475 1.00 0.00 C ATOM 466 CD LYS A 31 -0.509 -15.172 11.878 1.00 0.00 C ATOM 467 CE LYS A 31 -1.149 -16.540 12.074 1.00 0.00 C ATOM 468 NZ LYS A 31 -1.767 -16.745 13.385 1.00 0.00 N ATOM 0 H LYS A 31 3.421 -17.055 9.333 1.00 0.00 H new ATOM 0 HA LYS A 31 0.943 -15.923 8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.005 -17.059 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.317 -16.799 10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.793 -14.237 10.459 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.731 -14.779 9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.279 -15.023 12.616 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.250 -14.390 12.042 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.907 -16.685 11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.389 -17.307 11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.176 -17.700 13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.047 -16.641 14.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.517 -16.039 13.529 1.00 0.00 H new ATOM 482 N PHE A 32 2.173 -13.672 8.217 1.00 0.00 N ATOM 483 CA PHE A 32 2.976 -12.487 8.441 1.00 0.00 C ATOM 484 C PHE A 32 1.826 -11.458 8.204 1.00 0.00 C ATOM 485 O PHE A 32 0.783 -11.891 7.819 1.00 0.00 O ATOM 486 CB PHE A 32 4.121 -12.221 7.522 1.00 0.00 C ATOM 487 CG PHE A 32 3.835 -12.786 6.138 1.00 0.00 C ATOM 488 CD1 PHE A 32 3.544 -14.073 5.835 1.00 0.00 C ATOM 489 CD2 PHE A 32 3.873 -11.898 5.088 1.00 0.00 C ATOM 490 CE1 PHE A 32 3.294 -14.462 4.515 1.00 0.00 C ATOM 491 CE2 PHE A 32 3.624 -12.359 3.815 1.00 0.00 C ATOM 492 CZ PHE A 32 3.361 -13.505 3.536 1.00 0.00 C ATOM 0 H PHE A 32 1.454 -13.633 7.495 1.00 0.00 H new ATOM 0 HA PHE A 32 3.514 -12.507 9.389 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.299 -11.148 7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.030 -12.669 7.924 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.504 -14.810 6.624 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.095 -10.855 5.260 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.055 -15.487 4.274 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.667 -11.644 3.007 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.177 -13.777 2.507 1.00 0.00 H new ATOM 502 N THR A 33 2.349 -10.276 8.519 1.00 0.00 N ATOM 503 CA THR A 33 1.406 -9.155 8.363 1.00 0.00 C ATOM 504 C THR A 33 2.289 -8.100 7.728 1.00 0.00 C ATOM 505 O THR A 33 3.341 -7.758 8.266 1.00 0.00 O ATOM 506 CB THR A 33 0.785 -8.847 9.672 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.630 -8.870 9.691 1.00 0.00 O ATOM 508 CG2 THR A 33 1.174 -7.425 10.067 1.00 0.00 C ATOM 0 H THR A 33 3.294 -10.071 8.844 1.00 0.00 H new ATOM 0 HA THR A 33 0.526 -9.312 7.739 1.00 0.00 H new ATOM 0 HB THR A 33 1.143 -9.626 10.345 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.949 -8.657 10.593 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.726 -7.179 11.030 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.259 -7.352 10.143 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.816 -6.726 9.311 1.00 0.00 H new ATOM 516 N VAL A 34 1.850 -7.609 6.590 1.00 0.00 N ATOM 517 CA VAL A 34 2.747 -6.583 5.989 1.00 0.00 C ATOM 518 C VAL A 34 2.427 -5.350 6.772 1.00 0.00 C ATOM 519 O VAL A 34 1.325 -5.145 7.248 1.00 0.00 O ATOM 520 CB VAL A 34 2.240 -6.716 4.552 1.00 0.00 C ATOM 521 CG1 VAL A 34 2.429 -5.509 3.667 1.00 0.00 C ATOM 522 CG2 VAL A 34 2.856 -7.906 3.806 1.00 0.00 C ATOM 0 H VAL A 34 0.992 -7.847 6.093 1.00 0.00 H new ATOM 0 HA VAL A 34 3.836 -6.629 6.001 1.00 0.00 H new ATOM 0 HB VAL A 34 1.172 -6.854 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.032 -5.720 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.900 -4.657 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.491 -5.276 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.457 -7.946 2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.939 -7.789 3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.611 -8.830 4.330 1.00 0.00 H new ATOM 532 N LYS A 35 3.501 -4.528 6.873 1.00 0.00 N ATOM 533 CA LYS A 35 3.326 -3.304 7.614 1.00 0.00 C ATOM 534 C LYS A 35 2.870 -2.077 6.868 1.00 0.00 C ATOM 535 O LYS A 35 3.179 -0.946 7.145 1.00 0.00 O ATOM 536 CB LYS A 35 4.498 -2.999 8.587 1.00 0.00 C ATOM 537 CG LYS A 35 4.014 -2.090 9.747 1.00 0.00 C ATOM 538 CD LYS A 35 4.937 -1.886 10.937 1.00 0.00 C ATOM 539 CE LYS A 35 4.168 -1.480 12.204 1.00 0.00 C ATOM 540 NZ LYS A 35 4.843 -0.362 12.873 1.00 0.00 N ATOM 0 H LYS A 35 4.425 -4.691 6.474 1.00 0.00 H new ATOM 0 HA LYS A 35 2.444 -3.553 8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.898 -3.930 8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.309 -2.510 8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.789 -1.109 9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.076 -2.500 10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.489 -2.806 11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.671 -1.117 10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.149 -1.195 11.943 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.097 -2.330 12.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.757 -0.471 13.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.849 -0.355 12.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.403 0.534 12.581 1.00 0.00 H new ATOM 554 N GLU A 36 2.053 -2.407 5.830 1.00 0.00 N ATOM 555 CA GLU A 36 1.512 -1.358 5.000 1.00 0.00 C ATOM 556 C GLU A 36 0.734 -0.472 5.998 1.00 0.00 C ATOM 557 O GLU A 36 -0.362 -0.888 6.368 1.00 0.00 O ATOM 558 CB GLU A 36 0.403 -2.100 4.214 1.00 0.00 C ATOM 559 CG GLU A 36 -0.555 -1.128 3.480 1.00 0.00 C ATOM 560 CD GLU A 36 -1.634 -1.959 2.780 1.00 0.00 C ATOM 561 OE1 GLU A 36 -1.274 -2.939 2.123 1.00 0.00 O ATOM 562 OE2 GLU A 36 -2.805 -1.602 2.901 1.00 0.00 O ATOM 0 H GLU A 36 1.779 -3.356 5.576 1.00 0.00 H new ATOM 0 HA GLU A 36 2.235 -0.817 4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.863 -2.770 3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.171 -2.721 4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.009 -0.434 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.006 -0.529 2.754 1.00 0.00 H new ATOM 569 N SER A 37 1.345 0.672 6.363 1.00 0.00 N ATOM 570 CA SER A 37 0.632 1.511 7.306 1.00 0.00 C ATOM 571 C SER A 37 0.366 2.906 6.748 1.00 0.00 C ATOM 572 O SER A 37 1.364 3.510 6.367 1.00 0.00 O ATOM 573 CB SER A 37 1.581 1.597 8.502 1.00 0.00 C ATOM 574 OG SER A 37 1.904 0.298 8.935 1.00 0.00 O ATOM 0 H SER A 37 2.255 1.005 6.044 1.00 0.00 H new ATOM 0 HA SER A 37 -0.348 1.102 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.487 2.136 8.224 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.113 2.157 9.312 1.00 0.00 H new ATOM 0 HG SER A 37 2.382 -0.175 8.222 1.00 0.00 H new ATOM 580 N SER A 38 -0.922 3.282 6.749 1.00 0.00 N ATOM 581 CA SER A 38 -1.353 4.569 6.259 1.00 0.00 C ATOM 582 C SER A 38 -2.829 4.660 5.871 1.00 0.00 C ATOM 583 O SER A 38 -3.513 5.579 6.300 1.00 0.00 O ATOM 584 CB SER A 38 -0.511 4.944 5.027 1.00 0.00 C ATOM 585 OG SER A 38 -1.145 5.772 4.093 1.00 0.00 O ATOM 0 H SER A 38 -1.681 2.693 7.092 1.00 0.00 H new ATOM 0 HA SER A 38 -1.213 5.256 7.094 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.398 5.439 5.367 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.205 4.026 4.525 1.00 0.00 H new ATOM 0 HG SER A 38 -0.533 5.956 3.350 1.00 0.00 H new ATOM 591 N ASN A 39 -3.197 3.652 5.055 1.00 0.00 N ATOM 592 CA ASN A 39 -4.553 3.515 4.538 1.00 0.00 C ATOM 593 C ASN A 39 -5.590 3.883 5.583 1.00 0.00 C ATOM 594 O ASN A 39 -6.644 4.384 5.232 1.00 0.00 O ATOM 595 CB ASN A 39 -4.725 2.069 4.062 1.00 0.00 C ATOM 596 CG ASN A 39 -4.649 2.116 2.536 1.00 0.00 C ATOM 597 OD1 ASN A 39 -3.634 2.440 1.937 1.00 0.00 O ATOM 598 ND2 ASN A 39 -5.798 1.762 1.905 1.00 0.00 N ATOM 0 H ASN A 39 -2.559 2.919 4.743 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.706 4.204 3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.945 1.428 4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.680 1.660 4.393 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.840 1.759 0.886 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.619 1.499 2.450 1.00 0.00 H new ATOM 605 N PHE A 40 -5.188 3.596 6.846 1.00 0.00 N ATOM 606 CA PHE A 40 -6.198 3.963 7.813 1.00 0.00 C ATOM 607 C PHE A 40 -5.571 4.137 9.199 1.00 0.00 C ATOM 608 O PHE A 40 -5.859 5.155 9.806 1.00 0.00 O ATOM 609 CB PHE A 40 -7.318 2.899 7.830 1.00 0.00 C ATOM 610 CG PHE A 40 -8.684 3.456 7.931 1.00 0.00 C ATOM 611 CD1 PHE A 40 -9.334 3.777 9.094 1.00 0.00 C ATOM 612 CD2 PHE A 40 -9.420 3.695 6.787 1.00 0.00 C ATOM 613 CE1 PHE A 40 -10.606 4.288 9.063 1.00 0.00 C ATOM 614 CE2 PHE A 40 -10.699 4.213 6.847 1.00 0.00 C ATOM 615 CZ PHE A 40 -11.251 4.496 8.070 1.00 0.00 C ATOM 0 H PHE A 40 -4.314 3.179 7.168 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.639 4.918 7.528 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.248 2.300 6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.150 2.225 8.670 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.840 3.626 10.043 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.986 3.472 5.824 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.067 4.524 10.011 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.258 4.393 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.250 4.900 8.140 1.00 0.00 H new ATOM 625 N ARG A 41 -4.773 3.180 9.638 1.00 0.00 N ATOM 626 CA ARG A 41 -4.145 3.240 10.936 1.00 0.00 C ATOM 627 C ARG A 41 -3.102 2.148 11.201 1.00 0.00 C ATOM 628 O ARG A 41 -3.120 1.590 12.304 1.00 0.00 O ATOM 629 CB ARG A 41 -5.246 3.020 11.983 1.00 0.00 C ATOM 630 CG ARG A 41 -5.907 1.635 12.001 1.00 0.00 C ATOM 631 CD ARG A 41 -7.135 1.459 11.078 1.00 0.00 C ATOM 632 NE ARG A 41 -8.164 0.812 11.875 1.00 0.00 N ATOM 633 CZ ARG A 41 -8.972 1.562 12.670 1.00 0.00 C ATOM 634 NH1 ARG A 41 -8.817 2.876 12.716 1.00 0.00 N ATOM 635 NH2 ARG A 41 -9.916 1.017 13.408 1.00 0.00 N ATOM 0 H ARG A 41 -4.545 2.343 9.102 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.638 4.204 10.984 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.822 3.208 12.969 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.023 3.767 11.823 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.158 0.893 11.722 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.211 1.412 13.024 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.482 2.423 10.706 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.882 0.854 10.207 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.279 -0.201 11.838 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.092 3.324 12.155 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.422 3.440 13.312 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.056 0.007 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.508 1.605 13.995 1.00 0.00 H new ATOM 649 N ASN A 42 -2.291 1.938 10.177 1.00 0.00 N ATOM 650 CA ASN A 42 -1.257 0.912 10.303 1.00 0.00 C ATOM 651 C ASN A 42 -1.893 -0.456 9.945 1.00 0.00 C ATOM 652 O ASN A 42 -1.244 -1.472 10.080 1.00 0.00 O ATOM 653 CB ASN A 42 -0.483 0.935 11.598 1.00 0.00 C ATOM 654 CG ASN A 42 -0.630 -0.290 12.498 1.00 0.00 C ATOM 655 OD1 ASN A 42 -1.431 -0.456 13.389 1.00 0.00 O ATOM 656 ND2 ASN A 42 0.321 -1.191 12.117 1.00 0.00 N ATOM 0 H ASN A 42 -2.319 2.435 9.287 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.461 1.130 9.591 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.574 1.061 11.362 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.790 1.814 12.164 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.395 -2.088 12.597 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.958 -0.968 11.352 1.00 0.00 H new ATOM 663 N ILE A 43 -3.112 -0.210 9.520 1.00 0.00 N ATOM 664 CA ILE A 43 -4.003 -1.272 9.033 1.00 0.00 C ATOM 665 C ILE A 43 -3.202 -2.426 8.515 1.00 0.00 C ATOM 666 O ILE A 43 -2.750 -2.606 7.397 1.00 0.00 O ATOM 667 CB ILE A 43 -4.674 -0.514 7.862 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.322 -1.342 6.795 1.00 0.00 C ATOM 669 CG2 ILE A 43 -3.470 0.201 7.177 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.717 -0.783 6.393 1.00 0.00 C ATOM 0 H ILE A 43 -3.524 0.723 9.497 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.682 -1.696 9.773 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.479 0.094 8.274 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.677 -1.372 5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.430 -2.368 7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.827 0.776 6.323 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.990 0.871 7.891 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.750 -0.544 6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.152 -1.413 5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.372 -0.777 7.265 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.607 0.234 6.015 1.00 0.00 H new ATOM 682 N ASP A 44 -2.993 -3.338 9.493 1.00 0.00 N ATOM 683 CA ASP A 44 -2.232 -4.530 9.197 1.00 0.00 C ATOM 684 C ASP A 44 -3.157 -5.507 8.474 1.00 0.00 C ATOM 685 O ASP A 44 -4.327 -5.598 8.815 1.00 0.00 O ATOM 686 CB ASP A 44 -1.652 -5.225 10.426 1.00 0.00 C ATOM 687 CG ASP A 44 -2.293 -4.836 11.763 1.00 0.00 C ATOM 688 OD1 ASP A 44 -3.426 -5.218 12.055 1.00 0.00 O ATOM 689 OD2 ASP A 44 -1.625 -4.131 12.519 1.00 0.00 O ATOM 0 H ASP A 44 -3.334 -3.260 10.451 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.380 -4.224 8.589 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.751 -6.302 10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.585 -5.007 10.476 1.00 0.00 H new ATOM 694 N VAL A 45 -2.480 -6.148 7.511 1.00 0.00 N ATOM 695 CA VAL A 45 -3.261 -7.132 6.730 1.00 0.00 C ATOM 696 C VAL A 45 -2.617 -8.482 7.089 1.00 0.00 C ATOM 697 O VAL A 45 -1.619 -8.805 6.493 1.00 0.00 O ATOM 698 CB VAL A 45 -3.251 -6.806 5.277 1.00 0.00 C ATOM 699 CG1 VAL A 45 -4.379 -7.539 4.508 1.00 0.00 C ATOM 700 CG2 VAL A 45 -3.579 -5.327 5.052 1.00 0.00 C ATOM 0 H VAL A 45 -1.497 -6.029 7.265 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.324 -7.139 6.969 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.258 -7.092 4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.333 -7.271 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.252 -8.616 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.347 -7.246 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.566 -5.110 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.568 -5.108 5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.837 -4.709 5.557 1.00 0.00 H new ATOM 710 N VAL A 46 -3.248 -9.171 8.053 1.00 0.00 N ATOM 711 CA VAL A 46 -2.626 -10.451 8.387 1.00 0.00 C ATOM 712 C VAL A 46 -3.268 -11.601 7.639 1.00 0.00 C ATOM 713 O VAL A 46 -4.410 -11.462 7.262 1.00 0.00 O ATOM 714 CB VAL A 46 -2.984 -10.610 9.880 1.00 0.00 C ATOM 715 CG1 VAL A 46 -4.340 -11.249 10.204 1.00 0.00 C ATOM 716 CG2 VAL A 46 -2.048 -11.586 10.599 1.00 0.00 C ATOM 0 H VAL A 46 -4.091 -8.903 8.562 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.563 -10.464 8.146 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.939 -9.567 10.194 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.468 -11.302 11.285 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.139 -10.645 9.773 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.378 -12.254 9.784 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.339 -11.665 11.646 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.115 -12.567 10.129 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.023 -11.222 10.534 1.00 0.00 H new ATOM 726 N PHE A 47 -2.424 -12.633 7.519 1.00 0.00 N ATOM 727 CA PHE A 47 -2.937 -13.770 6.830 1.00 0.00 C ATOM 728 C PHE A 47 -2.005 -14.963 6.939 1.00 0.00 C ATOM 729 O PHE A 47 -0.957 -14.769 7.540 1.00 0.00 O ATOM 730 CB PHE A 47 -2.969 -13.471 5.302 1.00 0.00 C ATOM 731 CG PHE A 47 -1.831 -12.528 4.979 1.00 0.00 C ATOM 732 CD1 PHE A 47 -0.516 -12.836 5.210 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.084 -11.274 4.413 1.00 0.00 C ATOM 734 CE1 PHE A 47 0.481 -11.932 4.888 1.00 0.00 C ATOM 735 CE2 PHE A 47 -1.035 -10.409 4.119 1.00 0.00 C ATOM 736 CZ PHE A 47 0.254 -10.838 4.400 1.00 0.00 C ATOM 0 H PHE A 47 -1.466 -12.688 7.865 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.914 -13.979 7.266 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.870 -14.395 4.732 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.923 -13.025 5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.256 -13.789 5.646 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.100 -10.975 4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.508 -12.208 5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.218 -9.436 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.083 -10.182 4.179 1.00 0.00 H new ATOM 746 N GLU A 48 -2.445 -16.105 6.352 1.00 0.00 N ATOM 747 CA GLU A 48 -1.565 -17.222 6.462 1.00 0.00 C ATOM 748 C GLU A 48 -1.272 -17.988 5.155 1.00 0.00 C ATOM 749 O GLU A 48 -1.817 -19.033 4.897 1.00 0.00 O ATOM 750 CB GLU A 48 -2.273 -18.162 7.478 1.00 0.00 C ATOM 751 CG GLU A 48 -1.298 -18.838 8.406 1.00 0.00 C ATOM 752 CD GLU A 48 -1.295 -20.372 8.372 1.00 0.00 C ATOM 753 OE1 GLU A 48 -2.281 -21.004 8.007 1.00 0.00 O ATOM 754 OE2 GLU A 48 -0.259 -20.970 8.730 1.00 0.00 O ATOM 0 H GLU A 48 -3.322 -16.244 5.851 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.580 -16.867 6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.990 -17.586 8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.840 -18.919 6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.294 -18.486 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.513 -18.517 9.425 1.00 0.00 H new ATOM 761 N LEU A 49 -0.377 -17.308 4.442 1.00 0.00 N ATOM 762 CA LEU A 49 0.160 -17.671 3.169 1.00 0.00 C ATOM 763 C LEU A 49 -0.571 -18.742 2.390 1.00 0.00 C ATOM 764 O LEU A 49 -0.394 -19.940 2.503 1.00 0.00 O ATOM 765 CB LEU A 49 1.595 -18.181 3.482 1.00 0.00 C ATOM 766 CG LEU A 49 2.555 -18.129 2.306 1.00 0.00 C ATOM 767 CD1 LEU A 49 2.003 -17.559 0.990 1.00 0.00 C ATOM 768 CD2 LEU A 49 3.868 -17.329 2.548 1.00 0.00 C ATOM 0 H LEU A 49 0.009 -16.426 4.780 1.00 0.00 H new ATOM 0 HA LEU A 49 0.089 -16.796 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.008 -17.587 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.531 -19.210 3.837 1.00 0.00 H new ATOM 0 HG LEU A 49 2.741 -19.199 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.784 -17.576 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.160 -18.164 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.673 -16.532 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.481 -17.355 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.624 -16.295 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.419 -17.776 3.375 1.00 0.00 H new ATOM 780 N GLY A 50 -1.442 -18.193 1.560 1.00 0.00 N ATOM 781 CA GLY A 50 -2.267 -19.002 0.681 1.00 0.00 C ATOM 782 C GLY A 50 -3.618 -19.153 1.417 1.00 0.00 C ATOM 783 O GLY A 50 -4.029 -20.265 1.585 1.00 0.00 O ATOM 0 H GLY A 50 -1.596 -17.188 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.398 -18.521 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.809 -19.974 0.495 1.00 0.00 H new ATOM 787 N VAL A 51 -4.134 -17.973 1.770 1.00 0.00 N ATOM 788 CA VAL A 51 -5.385 -17.877 2.465 1.00 0.00 C ATOM 789 C VAL A 51 -6.270 -16.766 1.908 1.00 0.00 C ATOM 790 O VAL A 51 -5.939 -15.592 2.063 1.00 0.00 O ATOM 791 CB VAL A 51 -5.277 -17.738 3.989 1.00 0.00 C ATOM 792 CG1 VAL A 51 -6.571 -17.349 4.681 1.00 0.00 C ATOM 793 CG2 VAL A 51 -4.907 -19.069 4.665 1.00 0.00 C ATOM 0 H VAL A 51 -3.689 -17.076 1.577 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.852 -18.845 2.280 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.520 -16.961 4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.401 -17.274 5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.913 -16.387 4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.330 -18.107 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.841 -18.924 5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.672 -19.814 4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.945 -19.414 4.286 1.00 0.00 H new ATOM 803 N ASP A 52 -7.342 -17.310 1.292 1.00 0.00 N ATOM 804 CA ASP A 52 -8.247 -16.295 0.725 1.00 0.00 C ATOM 805 C ASP A 52 -9.161 -15.738 1.831 1.00 0.00 C ATOM 806 O ASP A 52 -9.453 -16.445 2.782 1.00 0.00 O ATOM 807 CB ASP A 52 -9.002 -16.896 -0.447 1.00 0.00 C ATOM 808 CG ASP A 52 -9.810 -15.876 -1.244 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.518 -14.697 -1.283 1.00 0.00 O ATOM 810 OD2 ASP A 52 -10.784 -16.337 -1.854 1.00 0.00 O ATOM 0 H ASP A 52 -7.581 -18.296 1.182 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.686 -15.445 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.291 -17.384 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.675 -17.670 -0.076 1.00 0.00 H new ATOM 815 N PHE A 53 -9.565 -14.465 1.632 1.00 0.00 N ATOM 816 CA PHE A 53 -10.409 -13.992 2.691 1.00 0.00 C ATOM 817 C PHE A 53 -11.067 -12.651 2.490 1.00 0.00 C ATOM 818 O PHE A 53 -10.380 -11.632 2.435 1.00 0.00 O ATOM 819 CB PHE A 53 -9.665 -13.852 4.056 1.00 0.00 C ATOM 820 CG PHE A 53 -8.480 -12.912 4.007 1.00 0.00 C ATOM 821 CD1 PHE A 53 -7.487 -13.097 3.080 1.00 0.00 C ATOM 822 CD2 PHE A 53 -8.306 -11.837 4.843 1.00 0.00 C ATOM 823 CE1 PHE A 53 -6.434 -12.205 3.079 1.00 0.00 C ATOM 824 CE2 PHE A 53 -7.223 -10.999 4.764 1.00 0.00 C ATOM 825 CZ PHE A 53 -6.268 -11.252 3.810 1.00 0.00 C ATOM 0 H PHE A 53 -9.349 -13.839 0.856 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.167 -14.775 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.369 -13.497 4.809 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.324 -14.836 4.377 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.527 -13.913 2.374 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.055 -11.643 5.596 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.666 -12.376 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.124 -10.160 5.436 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.396 -10.622 3.714 1.00 0.00 H new ATOM 835 N ALA A 54 -12.395 -12.586 2.373 1.00 0.00 N ATOM 836 CA ALA A 54 -13.013 -11.269 2.177 1.00 0.00 C ATOM 837 C ALA A 54 -12.709 -10.588 3.545 1.00 0.00 C ATOM 838 O ALA A 54 -12.925 -11.287 4.514 1.00 0.00 O ATOM 839 CB ALA A 54 -14.500 -11.299 1.951 1.00 0.00 C ATOM 0 H ALA A 54 -13.035 -13.380 2.407 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.628 -10.773 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.868 -10.282 1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.721 -11.886 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.990 -11.751 2.813 1.00 0.00 H new ATOM 845 N TYR A 55 -12.260 -9.348 3.558 1.00 0.00 N ATOM 846 CA TYR A 55 -12.027 -8.857 4.927 1.00 0.00 C ATOM 847 C TYR A 55 -12.113 -7.349 5.049 1.00 0.00 C ATOM 848 O TYR A 55 -11.138 -6.699 4.764 1.00 0.00 O ATOM 849 CB TYR A 55 -10.724 -9.422 5.520 1.00 0.00 C ATOM 850 CG TYR A 55 -10.612 -9.327 7.030 1.00 0.00 C ATOM 851 CD1 TYR A 55 -10.434 -8.090 7.650 1.00 0.00 C ATOM 852 CD2 TYR A 55 -10.671 -10.381 7.891 1.00 0.00 C ATOM 853 CE1 TYR A 55 -10.337 -8.035 9.013 1.00 0.00 C ATOM 854 CE2 TYR A 55 -10.567 -10.259 9.253 1.00 0.00 C ATOM 855 CZ TYR A 55 -10.409 -9.180 9.781 1.00 0.00 C ATOM 856 OH TYR A 55 -10.311 -9.177 11.160 1.00 0.00 O ATOM 0 H TYR A 55 -12.068 -8.728 2.771 1.00 0.00 H new ATOM 0 HA TYR A 55 -12.849 -9.241 5.531 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.634 -10.469 5.229 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.881 -8.894 5.074 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.374 -7.187 7.061 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -10.807 -11.369 7.477 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.202 -7.079 9.497 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.627 -11.144 9.869 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.390 -10.094 11.496 1.00 0.00 H new ATOM 866 N SER A 56 -13.316 -6.960 5.478 1.00 0.00 N ATOM 867 CA SER A 56 -13.490 -5.507 5.631 1.00 0.00 C ATOM 868 C SER A 56 -12.494 -5.121 6.753 1.00 0.00 C ATOM 869 O SER A 56 -12.955 -5.205 7.885 1.00 0.00 O ATOM 870 CB SER A 56 -14.941 -5.263 5.937 1.00 0.00 C ATOM 871 OG SER A 56 -15.166 -3.919 6.319 1.00 0.00 O ATOM 0 H SER A 56 -14.112 -7.555 5.706 1.00 0.00 H new ATOM 0 HA SER A 56 -13.273 -4.895 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.545 -5.500 5.061 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.264 -5.930 6.737 1.00 0.00 H new ATOM 0 HG SER A 56 -15.014 -3.331 5.550 1.00 0.00 H new ATOM 877 N LEU A 57 -11.281 -4.750 6.372 1.00 0.00 N ATOM 878 CA LEU A 57 -10.223 -4.356 7.279 1.00 0.00 C ATOM 879 C LEU A 57 -10.660 -3.226 8.203 1.00 0.00 C ATOM 880 O LEU A 57 -10.926 -3.508 9.366 1.00 0.00 O ATOM 881 CB LEU A 57 -8.964 -3.977 6.488 1.00 0.00 C ATOM 882 CG LEU A 57 -7.696 -4.384 7.259 1.00 0.00 C ATOM 883 CD1 LEU A 57 -7.658 -3.758 8.649 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.562 -5.888 7.469 1.00 0.00 C ATOM 0 H LEU A 57 -11.001 -4.715 5.392 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.989 -5.209 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.978 -4.468 5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.954 -2.903 6.303 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.880 -4.027 6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.748 -4.068 9.163 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.672 -2.672 8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.527 -4.086 9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.645 -6.098 8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.418 -6.254 8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.528 -6.389 6.501 1.00 0.00 H new ATOM 896 N ALA A 58 -10.735 -1.983 7.725 1.00 0.00 N ATOM 897 CA ALA A 58 -11.134 -0.862 8.537 1.00 0.00 C ATOM 898 C ALA A 58 -12.634 -0.670 8.726 1.00 0.00 C ATOM 899 O ALA A 58 -13.041 0.470 8.960 1.00 0.00 O ATOM 900 CB ALA A 58 -10.550 0.394 7.878 1.00 0.00 C ATOM 0 H ALA A 58 -10.517 -1.738 6.759 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.757 -1.055 9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.827 1.273 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.464 0.313 7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.944 0.490 6.866 1.00 0.00 H new ATOM 906 N ASP A 59 -13.444 -1.735 8.633 1.00 0.00 N ATOM 907 CA ASP A 59 -14.893 -1.657 8.797 1.00 0.00 C ATOM 908 C ASP A 59 -15.658 -1.257 7.545 1.00 0.00 C ATOM 909 O ASP A 59 -16.819 -1.604 7.451 1.00 0.00 O ATOM 910 CB ASP A 59 -15.308 -0.785 10.000 1.00 0.00 C ATOM 911 CG ASP A 59 -16.130 0.432 9.624 1.00 0.00 C ATOM 912 OD1 ASP A 59 -15.675 1.332 8.933 1.00 0.00 O ATOM 913 OD2 ASP A 59 -17.285 0.512 10.023 1.00 0.00 O ATOM 0 H ASP A 59 -13.105 -2.677 8.441 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.186 -2.686 9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.880 -1.396 10.698 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.411 -0.457 10.525 1.00 0.00 H new ATOM 918 N GLY A 60 -14.986 -0.545 6.626 1.00 0.00 N ATOM 919 CA GLY A 60 -15.600 -0.102 5.391 1.00 0.00 C ATOM 920 C GLY A 60 -14.938 -0.839 4.207 1.00 0.00 C ATOM 921 O GLY A 60 -15.683 -1.086 3.268 1.00 0.00 O ATOM 0 H GLY A 60 -14.010 -0.268 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.671 -0.305 5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.482 0.976 5.277 1.00 0.00 H new ATOM 925 N THR A 61 -13.642 -1.112 4.370 1.00 0.00 N ATOM 926 CA THR A 61 -12.876 -1.789 3.359 1.00 0.00 C ATOM 927 C THR A 61 -13.406 -3.175 2.962 1.00 0.00 C ATOM 928 O THR A 61 -14.479 -3.533 3.408 1.00 0.00 O ATOM 929 CB THR A 61 -11.382 -1.866 3.770 1.00 0.00 C ATOM 930 OG1 THR A 61 -11.215 -2.597 4.934 1.00 0.00 O ATOM 931 CG2 THR A 61 -10.723 -0.478 3.873 1.00 0.00 C ATOM 0 H THR A 61 -13.110 -0.866 5.205 1.00 0.00 H new ATOM 0 HA THR A 61 -12.984 -1.180 2.461 1.00 0.00 H new ATOM 0 HB THR A 61 -10.865 -2.394 2.968 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.057 -2.611 5.435 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.679 -0.592 4.164 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.778 0.024 2.907 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.245 0.118 4.622 1.00 0.00 H new ATOM 939 N GLU A 62 -12.634 -3.905 2.139 1.00 0.00 N ATOM 940 CA GLU A 62 -13.131 -5.221 1.755 1.00 0.00 C ATOM 941 C GLU A 62 -11.911 -6.130 1.489 1.00 0.00 C ATOM 942 O GLU A 62 -11.786 -7.137 2.192 1.00 0.00 O ATOM 943 CB GLU A 62 -13.967 -5.137 0.502 1.00 0.00 C ATOM 944 CG GLU A 62 -14.877 -6.373 0.364 1.00 0.00 C ATOM 945 CD GLU A 62 -16.178 -6.073 1.105 1.00 0.00 C ATOM 946 OE1 GLU A 62 -16.114 -6.052 2.328 1.00 0.00 O ATOM 947 OE2 GLU A 62 -17.218 -5.863 0.488 1.00 0.00 O ATOM 0 H GLU A 62 -11.731 -3.628 1.755 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.755 -5.621 2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.576 -4.233 0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.317 -5.060 -0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.075 -6.587 -0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.392 -7.254 0.783 1.00 0.00 H new ATOM 954 N LEU A 63 -11.163 -5.641 0.493 1.00 0.00 N ATOM 955 CA LEU A 63 -9.966 -6.339 0.077 1.00 0.00 C ATOM 956 C LEU A 63 -10.091 -7.846 0.177 1.00 0.00 C ATOM 957 O LEU A 63 -9.598 -8.495 1.089 1.00 0.00 O ATOM 958 CB LEU A 63 -8.804 -5.825 0.966 1.00 0.00 C ATOM 959 CG LEU A 63 -8.190 -4.552 0.407 1.00 0.00 C ATOM 960 CD1 LEU A 63 -8.935 -3.285 0.820 1.00 0.00 C ATOM 961 CD2 LEU A 63 -6.774 -4.309 0.930 1.00 0.00 C ATOM 0 H LEU A 63 -11.368 -4.785 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.783 -6.134 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.172 -5.639 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.037 -6.595 1.044 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.228 -4.718 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.442 -2.415 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.964 -3.335 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.932 -3.199 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.381 -3.388 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.797 -4.222 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.133 -5.144 0.646 1.00 0.00 H new ATOM 973 N THR A 64 -10.797 -8.358 -0.825 1.00 0.00 N ATOM 974 CA THR A 64 -11.077 -9.763 -0.959 1.00 0.00 C ATOM 975 C THR A 64 -9.920 -10.404 -1.726 1.00 0.00 C ATOM 976 O THR A 64 -9.867 -10.326 -2.946 1.00 0.00 O ATOM 977 CB THR A 64 -12.373 -9.961 -1.759 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.320 -9.067 -1.227 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.969 -11.335 -1.653 1.00 0.00 C ATOM 0 H THR A 64 -11.193 -7.790 -1.574 1.00 0.00 H new ATOM 0 HA THR A 64 -11.191 -10.217 0.026 1.00 0.00 H new ATOM 0 HB THR A 64 -12.128 -9.798 -2.809 1.00 0.00 H new ATOM 0 HG1 THR A 64 -14.166 -9.160 -1.713 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.880 -11.383 -2.249 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.255 -12.071 -2.022 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.205 -11.550 -0.611 1.00 0.00 H new ATOM 987 N GLY A 65 -9.022 -11.032 -0.949 1.00 0.00 N ATOM 988 CA GLY A 65 -7.952 -11.612 -1.750 1.00 0.00 C ATOM 989 C GLY A 65 -7.277 -12.714 -0.919 1.00 0.00 C ATOM 990 O GLY A 65 -7.806 -13.143 0.088 1.00 0.00 O ATOM 0 H GLY A 65 -9.006 -11.141 0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.351 -12.025 -2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.227 -10.847 -2.028 1.00 0.00 H new ATOM 994 N THR A 66 -6.123 -13.020 -1.537 1.00 0.00 N ATOM 995 CA THR A 66 -5.200 -14.021 -1.079 1.00 0.00 C ATOM 996 C THR A 66 -3.742 -13.840 -1.385 1.00 0.00 C ATOM 997 O THR A 66 -3.266 -13.881 -2.527 1.00 0.00 O ATOM 998 CB THR A 66 -5.669 -15.297 -1.853 1.00 0.00 C ATOM 999 OG1 THR A 66 -4.768 -16.297 -1.526 1.00 0.00 O ATOM 1000 CG2 THR A 66 -5.677 -14.974 -3.346 1.00 0.00 C ATOM 0 H THR A 66 -5.817 -12.553 -2.391 1.00 0.00 H new ATOM 0 HA THR A 66 -5.231 -14.023 0.011 1.00 0.00 H new ATOM 0 HB THR A 66 -6.676 -15.622 -1.590 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.018 -17.125 -1.986 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.001 -15.851 -3.906 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.362 -14.148 -3.536 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.673 -14.692 -3.663 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.884 -13.622 -0.359 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.451 -13.461 -0.688 1.00 0.00 C ATOM 1010 C TRP A 67 -0.853 -14.893 -0.521 1.00 0.00 C ATOM 1011 O TRP A 67 -1.083 -15.477 0.495 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.713 -12.481 0.198 1.00 0.00 C ATOM 1013 CG TRP A 67 -1.407 -11.141 -0.098 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -1.987 -10.300 0.843 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.542 -10.585 -1.438 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -2.427 -9.328 0.103 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -2.222 -9.387 -1.262 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -1.200 -10.916 -2.706 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -2.520 -8.616 -2.337 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -1.503 -10.131 -3.788 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -2.180 -8.959 -3.603 1.00 0.00 C ATOM 0 H TRP A 67 -3.132 -13.557 0.628 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.344 -13.046 -1.690 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.794 -12.751 1.251 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.350 -12.445 -0.041 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.055 -10.423 1.914 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.915 -8.536 0.522 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.665 -11.839 -2.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -3.051 -7.689 -2.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.208 -10.437 -4.781 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.436 -8.326 -4.440 1.00 0.00 H new ATOM 1032 N THR A 68 -0.159 -15.201 -1.621 1.00 0.00 N ATOM 1033 CA THR A 68 0.533 -16.436 -1.846 1.00 0.00 C ATOM 1034 C THR A 68 2.023 -16.327 -2.188 1.00 0.00 C ATOM 1035 O THR A 68 2.410 -16.798 -3.247 1.00 0.00 O ATOM 1036 CB THR A 68 -0.073 -17.220 -3.002 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.085 -16.566 -4.252 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.561 -17.551 -2.867 1.00 0.00 C ATOM 0 H THR A 68 -0.072 -14.554 -2.404 1.00 0.00 H new ATOM 0 HA THR A 68 0.426 -16.926 -0.878 1.00 0.00 H new ATOM 0 HB THR A 68 0.494 -18.150 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.030 -15.596 -4.123 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.890 -18.110 -3.743 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.720 -18.152 -1.972 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.134 -16.627 -2.790 1.00 0.00 H new ATOM 1046 N MET A 69 2.680 -15.696 -1.220 1.00 0.00 N ATOM 1047 CA MET A 69 4.094 -15.418 -1.213 1.00 0.00 C ATOM 1048 C MET A 69 4.731 -16.709 -1.736 1.00 0.00 C ATOM 1049 O MET A 69 4.695 -17.741 -1.091 1.00 0.00 O ATOM 1050 CB MET A 69 4.531 -15.301 0.273 1.00 0.00 C ATOM 1051 CG MET A 69 5.643 -14.257 0.468 1.00 0.00 C ATOM 1052 SD MET A 69 7.034 -14.562 -0.596 1.00 0.00 S ATOM 1053 CE MET A 69 8.378 -14.175 0.549 1.00 0.00 C ATOM 0 H MET A 69 2.209 -15.352 -0.383 1.00 0.00 H new ATOM 0 HA MET A 69 4.358 -14.525 -1.780 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.669 -15.031 0.884 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.880 -16.272 0.625 1.00 0.00 H new ATOM 0 HG2 MET A 69 5.245 -13.262 0.269 1.00 0.00 H new ATOM 0 HG3 MET A 69 5.972 -14.267 1.507 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.137 -13.586 0.034 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.986 -13.604 1.391 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.823 -15.101 0.914 1.00 0.00 H new ATOM 1063 N GLU A 70 5.293 -16.505 -2.950 1.00 0.00 N ATOM 1064 CA GLU A 70 5.958 -17.621 -3.624 1.00 0.00 C ATOM 1065 C GLU A 70 7.360 -17.732 -3.094 1.00 0.00 C ATOM 1066 O GLU A 70 7.685 -18.562 -2.273 1.00 0.00 O ATOM 1067 CB GLU A 70 5.944 -17.430 -5.160 1.00 0.00 C ATOM 1068 CG GLU A 70 6.825 -18.356 -5.955 1.00 0.00 C ATOM 1069 CD GLU A 70 6.034 -19.560 -6.483 1.00 0.00 C ATOM 1070 OE1 GLU A 70 5.190 -20.072 -5.729 1.00 0.00 O ATOM 1071 OE2 GLU A 70 6.232 -20.004 -7.626 1.00 0.00 O ATOM 0 H GLU A 70 5.297 -15.619 -3.455 1.00 0.00 H new ATOM 0 HA GLU A 70 5.422 -18.548 -3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.919 -17.549 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.239 -16.404 -5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.267 -17.813 -6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.648 -18.704 -5.331 1.00 0.00 H new ATOM 1078 N GLY A 71 8.201 -16.818 -3.629 1.00 0.00 N ATOM 1079 CA GLY A 71 9.581 -16.812 -3.209 1.00 0.00 C ATOM 1080 C GLY A 71 9.928 -15.303 -3.069 1.00 0.00 C ATOM 1081 O GLY A 71 9.997 -14.781 -1.946 1.00 0.00 O ATOM 0 H GLY A 71 7.945 -16.113 -4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.713 -17.341 -2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.223 -17.302 -3.941 1.00 0.00 H new ATOM 1085 N ASN A 72 10.110 -14.770 -4.274 1.00 0.00 N ATOM 1086 CA ASN A 72 10.441 -13.361 -4.376 1.00 0.00 C ATOM 1087 C ASN A 72 9.327 -12.661 -5.170 1.00 0.00 C ATOM 1088 O ASN A 72 9.636 -11.767 -5.948 1.00 0.00 O ATOM 1089 CB ASN A 72 11.780 -13.153 -5.065 1.00 0.00 C ATOM 1090 CG ASN A 72 12.652 -14.394 -4.879 1.00 0.00 C ATOM 1091 OD1 ASN A 72 13.286 -14.582 -3.835 1.00 0.00 O ATOM 1092 ND2 ASN A 72 12.705 -15.258 -5.885 1.00 0.00 N ATOM 0 H ASN A 72 10.037 -15.272 -5.159 1.00 0.00 H new ATOM 0 HA ASN A 72 10.521 -12.939 -3.374 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.628 -12.959 -6.127 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.282 -12.279 -4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.278 -16.098 -5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.173 -15.082 -6.737 1.00 0.00 H new ATOM 1099 N LYS A 73 8.095 -13.165 -4.882 1.00 0.00 N ATOM 1100 CA LYS A 73 6.954 -12.565 -5.599 1.00 0.00 C ATOM 1101 C LYS A 73 5.835 -12.171 -4.671 1.00 0.00 C ATOM 1102 O LYS A 73 5.970 -12.422 -3.464 1.00 0.00 O ATOM 1103 CB LYS A 73 6.599 -13.447 -6.788 1.00 0.00 C ATOM 1104 CG LYS A 73 7.717 -13.633 -7.790 1.00 0.00 C ATOM 1105 CD LYS A 73 7.228 -13.970 -9.203 1.00 0.00 C ATOM 1106 CE LYS A 73 7.634 -12.794 -10.118 1.00 0.00 C ATOM 1107 NZ LYS A 73 7.727 -13.178 -11.505 1.00 0.00 N ATOM 0 H LYS A 73 7.883 -13.913 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 73 7.224 -11.600 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.293 -14.426 -6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.738 -13.016 -7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.313 -12.721 -7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.375 -14.430 -7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.674 -14.901 -9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.147 -14.110 -9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.905 -11.990 -10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.595 -12.397 -9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.002 -12.353 -12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.441 -13.926 -11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.805 -13.532 -11.830 1.00 0.00 H new ATOM 1121 N LEU A 74 4.790 -11.573 -5.246 1.00 0.00 N ATOM 1122 CA LEU A 74 3.705 -11.181 -4.383 1.00 0.00 C ATOM 1123 C LEU A 74 2.368 -11.205 -5.063 1.00 0.00 C ATOM 1124 O LEU A 74 1.581 -10.277 -4.957 1.00 0.00 O ATOM 1125 CB LEU A 74 4.079 -9.814 -3.734 1.00 0.00 C ATOM 1126 CG LEU A 74 4.340 -10.020 -2.233 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.814 -8.776 -1.523 1.00 0.00 C ATOM 1128 CD2 LEU A 74 3.172 -10.662 -1.455 1.00 0.00 C ATOM 0 H LEU A 74 4.683 -11.365 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 74 3.578 -11.917 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.965 -9.400 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.272 -9.096 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 74 5.156 -10.743 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.977 -8.999 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.748 -8.435 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.060 -7.994 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.448 -10.768 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.289 -10.028 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.953 -11.644 -1.873 1.00 0.00 H new ATOM 1140 N VAL A 75 2.280 -12.367 -5.742 1.00 0.00 N ATOM 1141 CA VAL A 75 1.142 -12.731 -6.505 1.00 0.00 C ATOM 1142 C VAL A 75 -0.035 -13.163 -5.621 1.00 0.00 C ATOM 1143 O VAL A 75 0.060 -13.980 -4.720 1.00 0.00 O ATOM 1144 CB VAL A 75 1.637 -13.838 -7.444 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.710 -14.182 -8.598 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.900 -13.375 -8.198 1.00 0.00 C ATOM 0 H VAL A 75 3.024 -13.065 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 75 0.739 -11.891 -7.070 1.00 0.00 H new ATOM 0 HB VAL A 75 1.758 -14.684 -6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.155 -14.975 -9.198 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.250 -14.519 -8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.558 -13.299 -9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.240 -14.171 -8.861 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.668 -12.487 -8.786 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.686 -13.139 -7.481 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.136 -12.516 -5.998 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.439 -12.714 -5.341 1.00 0.00 C ATOM 1158 C GLY A 76 -3.271 -11.491 -5.790 1.00 0.00 C ATOM 1159 O GLY A 76 -2.839 -10.870 -6.729 1.00 0.00 O ATOM 0 H GLY A 76 -1.157 -11.842 -6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.905 -13.650 -5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.338 -12.752 -4.256 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.405 -11.272 -5.054 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.182 -10.148 -5.451 1.00 0.00 C ATOM 1165 C LYS A 77 -6.393 -9.878 -4.558 1.00 0.00 C ATOM 1166 O LYS A 77 -7.111 -10.792 -4.257 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.824 -10.457 -6.824 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.163 -9.804 -7.000 1.00 0.00 C ATOM 1169 CD LYS A 77 -8.318 -10.791 -7.154 1.00 0.00 C ATOM 1170 CE LYS A 77 -8.222 -11.658 -8.413 1.00 0.00 C ATOM 1171 NZ LYS A 77 -8.096 -13.093 -8.095 1.00 0.00 N ATOM 0 H LYS A 77 -4.744 -11.822 -4.265 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.494 -9.303 -5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.155 -10.122 -7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.934 -11.536 -6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.359 -9.162 -6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.129 -9.160 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.350 -11.439 -6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.257 -10.238 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.108 -11.501 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.363 -11.342 -9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.034 -13.640 -8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.237 -13.249 -7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.928 -13.403 -7.553 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.378 -8.559 -4.307 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.448 -8.020 -3.465 1.00 0.00 C ATOM 1187 C PHE A 78 -8.029 -6.860 -4.251 1.00 0.00 C ATOM 1188 O PHE A 78 -7.619 -6.250 -5.203 1.00 0.00 O ATOM 1189 CB PHE A 78 -6.788 -7.701 -2.137 1.00 0.00 C ATOM 1190 CG PHE A 78 -6.132 -8.835 -1.437 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.162 -9.662 -1.921 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -6.466 -9.185 -0.131 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.628 -10.694 -1.185 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -5.883 -10.233 0.561 1.00 0.00 C ATOM 1195 CZ PHE A 78 -4.919 -10.990 -0.063 1.00 0.00 C ATOM 0 H PHE A 78 -5.688 -7.890 -4.648 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.289 -8.672 -3.231 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.041 -6.925 -2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.543 -7.280 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.798 -9.500 -2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -7.225 -8.604 0.372 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.872 -11.296 -1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.181 -10.453 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.443 -11.819 0.440 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.208 -6.558 -3.681 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.014 -5.504 -4.178 1.00 0.00 C ATOM 1207 C LYS A 79 -10.971 -4.824 -3.206 1.00 0.00 C ATOM 1208 O LYS A 79 -11.436 -5.388 -2.237 1.00 0.00 O ATOM 1209 CB LYS A 79 -10.869 -6.198 -5.290 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.529 -5.142 -6.148 1.00 0.00 C ATOM 1211 CD LYS A 79 -13.042 -4.885 -5.892 1.00 0.00 C ATOM 1212 CE LYS A 79 -13.735 -4.432 -7.177 1.00 0.00 C ATOM 1213 NZ LYS A 79 -15.171 -4.651 -7.262 1.00 0.00 N ATOM 0 H LYS A 79 -9.598 -7.048 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.352 -4.693 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.236 -6.838 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.625 -6.839 -4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.994 -4.203 -6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.403 -5.424 -7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.513 -5.795 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.162 -4.125 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.546 -3.366 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.263 -4.944 -8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.475 -4.578 -8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.400 -5.598 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.666 -3.933 -6.695 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.267 -3.546 -3.521 1.00 0.00 N ATOM 1228 CA ARG A 80 -12.166 -2.772 -2.686 1.00 0.00 C ATOM 1229 C ARG A 80 -13.553 -2.641 -3.344 1.00 0.00 C ATOM 1230 O ARG A 80 -13.825 -1.663 -4.035 1.00 0.00 O ATOM 1231 CB ARG A 80 -11.518 -1.433 -2.340 1.00 0.00 C ATOM 1232 CG ARG A 80 -12.343 -0.737 -1.257 1.00 0.00 C ATOM 1233 CD ARG A 80 -11.476 0.243 -0.484 1.00 0.00 C ATOM 1234 NE ARG A 80 -12.229 0.803 0.615 1.00 0.00 N ATOM 1235 CZ ARG A 80 -11.854 1.896 1.260 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -10.743 2.561 0.931 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -12.665 2.285 2.259 1.00 0.00 N ATOM 0 H ARG A 80 -10.898 -3.050 -4.332 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.341 -3.292 -1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -10.497 -1.589 -1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.459 -0.804 -3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.183 -0.211 -1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.762 -1.478 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.587 -0.263 -0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -11.133 1.039 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.087 0.335 0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.158 2.229 0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.480 3.401 1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.504 1.746 2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.441 3.119 2.802 1.00 0.00 H new ATOM 1251 N VAL A 81 -14.322 -3.691 -3.049 1.00 0.00 N ATOM 1252 CA VAL A 81 -15.671 -3.898 -3.503 1.00 0.00 C ATOM 1253 C VAL A 81 -16.541 -2.621 -3.441 1.00 0.00 C ATOM 1254 O VAL A 81 -17.470 -2.503 -4.220 1.00 0.00 O ATOM 1255 CB VAL A 81 -16.387 -4.968 -2.717 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -17.756 -4.493 -2.197 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -16.704 -6.254 -3.534 1.00 0.00 C ATOM 0 H VAL A 81 -13.990 -4.451 -2.455 1.00 0.00 H new ATOM 0 HA VAL A 81 -15.553 -4.206 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 81 -15.685 -5.186 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.232 -5.298 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.618 -3.631 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.388 -4.213 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.219 -6.973 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -17.341 -5.999 -4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -15.775 -6.692 -3.898 1.00 0.00 H new ATOM 1267 N ASP A 82 -16.125 -1.766 -2.491 1.00 0.00 N ATOM 1268 CA ASP A 82 -16.728 -0.496 -2.199 1.00 0.00 C ATOM 1269 C ASP A 82 -16.433 0.553 -3.273 1.00 0.00 C ATOM 1270 O ASP A 82 -16.924 1.647 -3.043 1.00 0.00 O ATOM 1271 CB ASP A 82 -16.275 0.077 -0.821 1.00 0.00 C ATOM 1272 CG ASP A 82 -17.209 1.135 -0.295 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -18.383 1.221 -0.675 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -16.763 1.924 0.540 1.00 0.00 O ATOM 0 H ASP A 82 -15.325 -1.969 -1.892 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.799 -0.696 -2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.210 -0.736 -0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.274 0.498 -0.919 1.00 0.00 H new ATOM 1279 N ASN A 83 -15.683 0.086 -4.280 1.00 0.00 N ATOM 1280 CA ASN A 83 -15.335 0.987 -5.339 1.00 0.00 C ATOM 1281 C ASN A 83 -13.916 1.544 -5.293 1.00 0.00 C ATOM 1282 O ASN A 83 -13.604 2.473 -6.028 1.00 0.00 O ATOM 1283 CB ASN A 83 -16.349 2.105 -5.546 1.00 0.00 C ATOM 1284 CG ASN A 83 -15.955 3.433 -4.896 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -16.260 4.499 -5.405 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -15.277 3.371 -3.761 1.00 0.00 N ATOM 0 H ASN A 83 -15.329 -0.867 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.365 0.337 -6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -16.487 2.263 -6.616 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -17.311 1.787 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.995 4.229 -3.288 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.036 2.465 -3.360 1.00 0.00 H new ATOM 1293 N GLY A 84 -13.129 0.907 -4.410 1.00 0.00 N ATOM 1294 CA GLY A 84 -11.763 1.472 -4.404 1.00 0.00 C ATOM 1295 C GLY A 84 -11.170 0.821 -5.690 1.00 0.00 C ATOM 1296 O GLY A 84 -10.457 1.474 -6.413 1.00 0.00 O ATOM 0 H GLY A 84 -13.353 0.131 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.766 2.561 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.206 1.197 -3.508 1.00 0.00 H new ATOM 1300 N LYS A 85 -11.628 -0.438 -5.709 1.00 0.00 N ATOM 1301 CA LYS A 85 -11.331 -1.407 -6.712 1.00 0.00 C ATOM 1302 C LYS A 85 -10.028 -2.158 -6.529 1.00 0.00 C ATOM 1303 O LYS A 85 -9.434 -1.834 -5.502 1.00 0.00 O ATOM 1304 CB LYS A 85 -11.322 -0.708 -8.074 1.00 0.00 C ATOM 1305 CG LYS A 85 -11.976 -1.693 -9.061 1.00 0.00 C ATOM 1306 CD LYS A 85 -13.100 -1.026 -9.829 1.00 0.00 C ATOM 1307 CE LYS A 85 -13.980 -1.926 -10.707 1.00 0.00 C ATOM 1308 NZ LYS A 85 -14.909 -1.108 -11.484 1.00 0.00 N ATOM 0 H LYS A 85 -12.243 -0.802 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.110 -2.166 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.875 0.230 -8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.305 -0.465 -8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.226 -2.067 -9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.363 -2.555 -8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.745 -0.519 -9.111 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.664 -0.256 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.356 -2.518 -11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.534 -2.628 -10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -15.502 -1.724 -12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.514 -0.562 -10.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.373 -0.456 -12.091 1.00 0.00 H new ATOM 1322 N GLU A 86 -9.753 -3.045 -7.486 1.00 0.00 N ATOM 1323 CA GLU A 86 -8.542 -3.813 -7.344 1.00 0.00 C ATOM 1324 C GLU A 86 -7.320 -3.072 -6.780 1.00 0.00 C ATOM 1325 O GLU A 86 -7.085 -1.971 -7.198 1.00 0.00 O ATOM 1326 CB GLU A 86 -8.120 -4.624 -8.570 1.00 0.00 C ATOM 1327 CG GLU A 86 -9.238 -5.386 -9.284 1.00 0.00 C ATOM 1328 CD GLU A 86 -9.094 -5.375 -10.803 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -8.046 -5.809 -11.284 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -9.991 -4.953 -11.509 1.00 0.00 O ATOM 0 H GLU A 86 -10.319 -3.235 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.875 -4.512 -6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.653 -3.948 -9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.357 -5.340 -8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.248 -6.418 -8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.199 -4.948 -9.013 1.00 0.00 H new ATOM 1337 N LEU A 87 -6.697 -3.801 -5.879 1.00 0.00 N ATOM 1338 CA LEU A 87 -5.496 -3.377 -5.164 1.00 0.00 C ATOM 1339 C LEU A 87 -4.501 -4.511 -5.095 1.00 0.00 C ATOM 1340 O LEU A 87 -3.834 -4.756 -4.132 1.00 0.00 O ATOM 1341 CB LEU A 87 -5.789 -2.690 -3.824 1.00 0.00 C ATOM 1342 CG LEU A 87 -6.763 -1.476 -3.868 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -7.954 -1.783 -2.960 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -6.216 -0.134 -3.415 1.00 0.00 C ATOM 0 H LEU A 87 -7.015 -4.732 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.021 -2.582 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.200 -3.434 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.844 -2.354 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.001 -1.365 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.650 -0.944 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.460 -2.681 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.603 -1.943 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.996 0.623 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.887 -0.206 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.372 0.146 -4.045 1.00 0.00 H new ATOM 1356 N ILE A 88 -4.520 -5.142 -6.265 1.00 0.00 N ATOM 1357 CA ILE A 88 -3.641 -6.305 -6.474 1.00 0.00 C ATOM 1358 C ILE A 88 -2.258 -5.588 -6.352 1.00 0.00 C ATOM 1359 O ILE A 88 -2.307 -4.443 -6.723 1.00 0.00 O ATOM 1360 CB ILE A 88 -3.890 -6.790 -7.876 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.360 -7.290 -7.941 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.031 -7.909 -8.426 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.843 -7.733 -9.311 1.00 0.00 C ATOM 0 H ILE A 88 -5.107 -4.887 -7.059 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.755 -7.164 -5.813 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.641 -5.926 -8.492 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.472 -8.125 -7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.012 -6.492 -7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.340 -8.137 -9.446 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.986 -7.600 -8.424 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.148 -8.797 -7.804 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.880 -8.062 -9.242 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.772 -6.899 -10.009 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.224 -8.557 -9.666 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.310 -6.362 -5.871 1.00 0.00 N ATOM 1376 CA ALA A 89 0.051 -5.910 -5.663 1.00 0.00 C ATOM 1377 C ALA A 89 0.941 -6.811 -6.483 1.00 0.00 C ATOM 1378 O ALA A 89 1.559 -7.673 -5.887 1.00 0.00 O ATOM 1379 CB ALA A 89 0.373 -5.978 -4.150 1.00 0.00 C ATOM 0 H ALA A 89 -1.463 -7.336 -5.609 1.00 0.00 H new ATOM 0 HA ALA A 89 0.204 -4.878 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.395 -5.640 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.317 -5.336 -3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.268 -7.005 -3.801 1.00 0.00 H new ATOM 1385 N VAL A 90 0.938 -6.545 -7.780 1.00 0.00 N ATOM 1386 CA VAL A 90 1.804 -7.416 -8.540 1.00 0.00 C ATOM 1387 C VAL A 90 3.212 -7.024 -8.014 1.00 0.00 C ATOM 1388 O VAL A 90 3.555 -5.850 -8.126 1.00 0.00 O ATOM 1389 CB VAL A 90 1.760 -7.141 -10.023 1.00 0.00 C ATOM 1390 CG1 VAL A 90 3.171 -7.150 -10.627 1.00 0.00 C ATOM 1391 CG2 VAL A 90 1.022 -8.173 -10.866 1.00 0.00 C ATOM 0 H VAL A 90 0.414 -5.825 -8.277 1.00 0.00 H new ATOM 0 HA VAL A 90 1.524 -8.463 -8.421 1.00 0.00 H new ATOM 0 HB VAL A 90 1.245 -6.181 -10.063 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.110 -6.949 -11.697 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.777 -6.381 -10.147 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.629 -8.126 -10.467 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.053 -7.876 -11.914 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.500 -9.146 -10.751 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.015 -8.237 -10.537 1.00 0.00 H new ATOM 1401 N ARG A 91 3.935 -8.023 -7.467 1.00 0.00 N ATOM 1402 CA ARG A 91 5.202 -7.532 -7.018 1.00 0.00 C ATOM 1403 C ARG A 91 6.213 -8.613 -6.786 1.00 0.00 C ATOM 1404 O ARG A 91 5.846 -9.727 -6.574 1.00 0.00 O ATOM 1405 CB ARG A 91 5.028 -6.812 -5.651 1.00 0.00 C ATOM 1406 CG ARG A 91 6.281 -6.567 -4.865 1.00 0.00 C ATOM 1407 CD ARG A 91 7.226 -5.496 -5.435 1.00 0.00 C ATOM 1408 NE ARG A 91 6.820 -5.055 -6.744 1.00 0.00 N ATOM 1409 CZ ARG A 91 7.734 -4.635 -7.638 1.00 0.00 C ATOM 1410 NH1 ARG A 91 9.034 -4.583 -7.424 1.00 0.00 N ATOM 1411 NH2 ARG A 91 7.314 -4.242 -8.836 1.00 0.00 N ATOM 0 H ARG A 91 3.701 -9.008 -7.346 1.00 0.00 H new ATOM 0 HA ARG A 91 5.556 -6.871 -7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.543 -5.852 -5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.349 -7.403 -5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.002 -6.277 -3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.829 -7.506 -4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.255 -4.642 -4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.238 -5.897 -5.486 1.00 0.00 H new ATOM 0 HE ARG A 91 5.832 -5.061 -6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.415 -4.875 -6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.659 -4.251 -8.158 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.319 -4.263 -9.060 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.987 -3.919 -9.532 1.00 0.00 H new ATOM 1425 N GLU A 92 7.454 -8.108 -6.862 1.00 0.00 N ATOM 1426 CA GLU A 92 8.558 -9.027 -6.656 1.00 0.00 C ATOM 1427 C GLU A 92 9.726 -8.105 -6.224 1.00 0.00 C ATOM 1428 O GLU A 92 9.958 -7.164 -6.947 1.00 0.00 O ATOM 1429 CB GLU A 92 8.811 -9.660 -7.991 1.00 0.00 C ATOM 1430 CG GLU A 92 8.057 -8.960 -9.160 1.00 0.00 C ATOM 1431 CD GLU A 92 8.694 -9.320 -10.483 1.00 0.00 C ATOM 1432 OE1 GLU A 92 9.354 -10.364 -10.508 1.00 0.00 O ATOM 1433 OE2 GLU A 92 8.529 -8.571 -11.433 1.00 0.00 O ATOM 0 H GLU A 92 7.699 -7.136 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 92 8.400 -9.815 -5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.881 -9.642 -8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.512 -10.707 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.009 -9.261 -9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.078 -7.879 -9.020 1.00 0.00 H new ATOM 1440 N ILE A 93 10.315 -8.502 -5.088 1.00 0.00 N ATOM 1441 CA ILE A 93 11.427 -7.792 -4.506 1.00 0.00 C ATOM 1442 C ILE A 93 12.383 -7.265 -5.572 1.00 0.00 C ATOM 1443 O ILE A 93 12.907 -8.104 -6.315 1.00 0.00 O ATOM 1444 CB ILE A 93 12.167 -8.544 -3.392 1.00 0.00 C ATOM 1445 CG1 ILE A 93 11.219 -9.501 -2.647 1.00 0.00 C ATOM 1446 CG2 ILE A 93 12.617 -7.577 -2.302 1.00 0.00 C ATOM 1447 CD1 ILE A 93 9.923 -8.875 -2.169 1.00 0.00 C ATOM 0 H ILE A 93 10.024 -9.324 -4.559 1.00 0.00 H new ATOM 0 HA ILE A 93 10.974 -6.938 -4.002 1.00 0.00 H new ATOM 0 HB ILE A 93 12.994 -9.061 -3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.980 -10.337 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.745 -9.913 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.140 -8.128 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.287 -6.832 -2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.746 -7.080 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.323 -9.627 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.145 -8.058 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.368 -8.489 -3.024 1.00 0.00 H new ATOM 1459 N SER A 94 12.532 -5.948 -5.557 1.00 0.00 N ATOM 1460 CA SER A 94 13.418 -5.331 -6.520 1.00 0.00 C ATOM 1461 C SER A 94 14.891 -5.608 -6.290 1.00 0.00 C ATOM 1462 O SER A 94 15.588 -6.282 -7.075 1.00 0.00 O ATOM 1463 CB SER A 94 13.101 -3.815 -6.534 1.00 0.00 C ATOM 1464 OG SER A 94 11.933 -3.527 -5.836 1.00 0.00 O ATOM 0 H SER A 94 12.067 -5.309 -4.912 1.00 0.00 H new ATOM 0 HA SER A 94 13.232 -5.778 -7.497 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.933 -3.265 -6.094 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.003 -3.473 -7.564 1.00 0.00 H new ATOM 0 HG SER A 94 12.159 -3.105 -4.981 1.00 0.00 H new ATOM 1470 N GLY A 95 15.357 -5.063 -5.178 1.00 0.00 N ATOM 1471 CA GLY A 95 16.764 -5.260 -4.840 1.00 0.00 C ATOM 1472 C GLY A 95 16.765 -5.769 -3.379 1.00 0.00 C ATOM 1473 O GLY A 95 16.728 -6.956 -3.135 1.00 0.00 O ATOM 0 H GLY A 95 14.815 -4.505 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.232 -5.983 -5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.325 -4.330 -4.933 1.00 0.00 H new ATOM 1477 N ASN A 96 16.809 -4.723 -2.519 1.00 0.00 N ATOM 1478 CA ASN A 96 16.821 -4.892 -1.082 1.00 0.00 C ATOM 1479 C ASN A 96 15.722 -3.948 -0.520 1.00 0.00 C ATOM 1480 O ASN A 96 15.946 -3.247 0.459 1.00 0.00 O ATOM 1481 CB ASN A 96 18.202 -4.460 -0.640 1.00 0.00 C ATOM 1482 CG ASN A 96 18.408 -2.965 -0.895 1.00 0.00 C ATOM 1483 OD1 ASN A 96 18.112 -2.498 -1.962 1.00 0.00 O ATOM 1484 ND2 ASN A 96 18.933 -2.410 0.230 1.00 0.00 N ATOM 0 H ASN A 96 16.837 -3.749 -2.821 1.00 0.00 H new ATOM 0 HA ASN A 96 16.623 -5.908 -0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.334 -4.675 0.420 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.957 -5.033 -1.178 1.00 0.00 H new ATOM 0 HD21 ASN A 96 19.145 -1.413 0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 96 19.115 -2.991 1.048 1.00 0.00 H new ATOM 1491 N GLU A 97 14.620 -4.051 -1.247 1.00 0.00 N ATOM 1492 CA GLU A 97 13.429 -3.302 -0.987 1.00 0.00 C ATOM 1493 C GLU A 97 12.269 -3.867 -1.850 1.00 0.00 C ATOM 1494 O GLU A 97 12.543 -4.697 -2.683 1.00 0.00 O ATOM 1495 CB GLU A 97 13.554 -1.800 -1.159 1.00 0.00 C ATOM 1496 CG GLU A 97 14.794 -1.417 -1.975 1.00 0.00 C ATOM 1497 CD GLU A 97 14.754 -2.164 -3.289 1.00 0.00 C ATOM 1498 OE1 GLU A 97 13.653 -2.412 -3.804 1.00 0.00 O ATOM 1499 OE2 GLU A 97 15.821 -2.511 -3.832 1.00 0.00 O ATOM 0 H GLU A 97 14.541 -4.676 -2.049 1.00 0.00 H new ATOM 0 HA GLU A 97 13.220 -3.430 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.662 -1.416 -1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 97 13.604 -1.326 -0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.814 -0.342 -2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.701 -1.667 -1.425 1.00 0.00 H new ATOM 1506 N LEU A 98 11.128 -3.298 -1.495 1.00 0.00 N ATOM 1507 CA LEU A 98 9.880 -3.629 -2.133 1.00 0.00 C ATOM 1508 C LEU A 98 9.071 -2.377 -2.509 1.00 0.00 C ATOM 1509 O LEU A 98 8.862 -1.509 -1.700 1.00 0.00 O ATOM 1510 CB LEU A 98 9.133 -4.463 -1.055 1.00 0.00 C ATOM 1511 CG LEU A 98 8.977 -5.909 -1.501 1.00 0.00 C ATOM 1512 CD1 LEU A 98 8.221 -6.794 -0.528 1.00 0.00 C ATOM 1513 CD2 LEU A 98 8.076 -5.834 -2.759 1.00 0.00 C ATOM 0 H LEU A 98 11.049 -2.597 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 98 10.028 -4.163 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.683 -4.425 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.151 -4.028 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 98 9.973 -6.333 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.159 -7.806 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.745 -6.814 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.215 -6.399 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.911 -6.838 -3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.118 -5.386 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.564 -5.225 -3.520 1.00 0.00 H new ATOM 1525 N ILE A 99 8.694 -2.462 -3.797 1.00 0.00 N ATOM 1526 CA ILE A 99 7.926 -1.470 -4.463 1.00 0.00 C ATOM 1527 C ILE A 99 6.459 -1.705 -4.049 1.00 0.00 C ATOM 1528 O ILE A 99 6.132 -0.981 -3.148 1.00 0.00 O ATOM 1529 CB ILE A 99 8.122 -1.651 -5.977 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.567 -1.160 -6.243 1.00 0.00 C ATOM 1531 CG2 ILE A 99 7.189 -0.702 -6.682 1.00 0.00 C ATOM 1532 CD1 ILE A 99 10.005 -1.199 -7.697 1.00 0.00 C ATOM 0 H ILE A 99 8.936 -3.254 -4.393 1.00 0.00 H new ATOM 0 HA ILE A 99 8.223 -0.454 -4.203 1.00 0.00 H new ATOM 0 HB ILE A 99 7.944 -2.674 -6.308 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.659 -0.136 -5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.255 -1.769 -5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.307 -0.809 -7.760 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.160 -0.931 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.424 0.322 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.030 -0.836 -7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.953 -2.224 -8.065 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.347 -0.565 -8.292 1.00 0.00 H new ATOM 1544 N GLN A 100 5.846 -2.653 -4.765 1.00 0.00 N ATOM 1545 CA GLN A 100 4.464 -3.050 -4.564 1.00 0.00 C ATOM 1546 C GLN A 100 3.659 -2.253 -5.622 1.00 0.00 C ATOM 1547 O GLN A 100 3.136 -1.183 -5.369 1.00 0.00 O ATOM 1548 CB GLN A 100 3.900 -2.849 -3.173 1.00 0.00 C ATOM 1549 CG GLN A 100 4.539 -3.556 -1.989 1.00 0.00 C ATOM 1550 CD GLN A 100 3.836 -4.922 -1.758 1.00 0.00 C ATOM 1551 OE1 GLN A 100 3.315 -5.528 -2.673 1.00 0.00 O ATOM 1552 NE2 GLN A 100 3.899 -5.309 -0.457 1.00 0.00 N ATOM 0 H GLN A 100 6.311 -3.170 -5.511 1.00 0.00 H new ATOM 0 HA GLN A 100 4.393 -4.132 -4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.923 -1.779 -2.964 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.851 -3.145 -3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.602 -3.709 -2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.457 -2.937 -1.095 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.365 -4.716 0.230 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.480 -6.193 -0.167 1.00 0.00 H new ATOM 1561 N THR A 101 3.690 -2.978 -6.755 1.00 0.00 N ATOM 1562 CA THR A 101 3.004 -2.480 -7.901 1.00 0.00 C ATOM 1563 C THR A 101 1.519 -2.813 -7.857 1.00 0.00 C ATOM 1564 O THR A 101 1.065 -3.841 -8.269 1.00 0.00 O ATOM 1565 CB THR A 101 3.490 -2.956 -9.275 1.00 0.00 C ATOM 1566 OG1 THR A 101 4.870 -3.006 -9.469 1.00 0.00 O ATOM 1567 CG2 THR A 101 2.825 -2.215 -10.442 1.00 0.00 C ATOM 0 H THR A 101 4.169 -3.871 -6.875 1.00 0.00 H new ATOM 0 HA THR A 101 3.219 -1.414 -7.824 1.00 0.00 H new ATOM 0 HB THR A 101 3.162 -3.995 -9.270 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.325 -2.652 -8.677 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.213 -2.599 -11.385 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.747 -2.369 -10.403 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.042 -1.149 -10.368 1.00 0.00 H new ATOM 1575 N TYR A 102 0.893 -1.792 -7.282 1.00 0.00 N ATOM 1576 CA TYR A 102 -0.547 -2.062 -7.183 1.00 0.00 C ATOM 1577 C TYR A 102 -1.084 -2.045 -8.619 1.00 0.00 C ATOM 1578 O TYR A 102 -0.892 -1.105 -9.352 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.231 -1.007 -6.341 1.00 0.00 C ATOM 1580 CG TYR A 102 -0.646 -0.817 -5.003 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -0.226 -1.978 -4.341 1.00 0.00 C ATOM 1582 CD2 TYR A 102 -0.441 0.339 -4.289 1.00 0.00 C ATOM 1583 CE1 TYR A 102 0.340 -1.977 -3.090 1.00 0.00 C ATOM 1584 CE2 TYR A 102 0.125 0.272 -3.049 1.00 0.00 C ATOM 1585 CZ TYR A 102 0.506 -0.952 -2.490 1.00 0.00 C ATOM 1586 OH TYR A 102 1.081 -1.005 -1.226 1.00 0.00 O ATOM 0 H TYR A 102 1.269 -0.912 -6.929 1.00 0.00 H new ATOM 0 HA TYR A 102 -0.739 -3.021 -6.702 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.199 -0.057 -6.875 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.282 -1.275 -6.229 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -0.354 -2.926 -4.842 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.726 1.294 -4.706 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.640 -2.912 -2.640 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.282 1.182 -2.489 1.00 0.00 H new ATOM 0 HH TYR A 102 1.154 -0.098 -0.862 1.00 0.00 H new ATOM 1596 N THR A 103 -1.772 -3.186 -8.913 1.00 0.00 N ATOM 1597 CA THR A 103 -2.384 -3.392 -10.238 1.00 0.00 C ATOM 1598 C THR A 103 -3.842 -3.069 -9.958 1.00 0.00 C ATOM 1599 O THR A 103 -4.720 -3.836 -9.656 1.00 0.00 O ATOM 1600 CB THR A 103 -2.177 -4.815 -10.710 1.00 0.00 C ATOM 1601 OG1 THR A 103 -0.810 -5.148 -10.971 1.00 0.00 O ATOM 1602 CG2 THR A 103 -2.883 -5.262 -11.986 1.00 0.00 C ATOM 0 H THR A 103 -1.909 -3.956 -8.258 1.00 0.00 H new ATOM 0 HA THR A 103 -1.962 -2.783 -11.037 1.00 0.00 H new ATOM 0 HB THR A 103 -2.611 -5.321 -9.847 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.751 -6.080 -11.269 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.636 -6.303 -12.192 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.961 -5.163 -11.859 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.557 -4.640 -12.819 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.000 -1.728 -10.112 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.291 -1.106 -9.911 1.00 0.00 C ATOM 1612 C TYR A 104 -5.973 -0.585 -11.155 1.00 0.00 C ATOM 1613 O TYR A 104 -5.470 0.172 -11.990 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.004 -0.012 -8.843 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.072 0.991 -8.652 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -6.522 1.911 -9.581 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -6.731 1.085 -7.449 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -7.532 2.810 -9.290 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -7.746 2.000 -7.180 1.00 0.00 C ATOM 1620 CZ TYR A 104 -8.103 2.784 -8.031 1.00 0.00 C ATOM 1621 OH TYR A 104 -9.114 3.647 -7.679 1.00 0.00 O ATOM 0 H TYR A 104 -3.251 -1.086 -10.370 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.031 -1.837 -9.585 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.816 -0.503 -7.888 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.087 0.508 -9.120 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.072 1.928 -10.562 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.443 0.405 -6.661 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.868 3.519 -10.032 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.217 2.010 -6.208 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.795 3.162 -7.168 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.235 -1.013 -11.310 1.00 0.00 N ATOM 1632 CA GLU A 105 -8.064 -0.637 -12.423 1.00 0.00 C ATOM 1633 C GLU A 105 -7.422 -0.825 -13.798 1.00 0.00 C ATOM 1634 O GLU A 105 -7.899 -0.171 -14.732 1.00 0.00 O ATOM 1635 CB GLU A 105 -8.394 0.859 -12.261 1.00 0.00 C ATOM 1636 CG GLU A 105 -9.381 0.996 -11.089 1.00 0.00 C ATOM 1637 CD GLU A 105 -10.240 2.241 -11.136 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -9.754 3.266 -11.647 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -11.392 2.244 -10.677 1.00 0.00 O ATOM 0 H GLU A 105 -7.697 -1.637 -10.648 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.936 -1.291 -12.401 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.487 1.432 -12.066 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.831 1.256 -13.177 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.031 0.121 -11.074 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.819 0.992 -10.155 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.386 -1.674 -13.919 1.00 0.00 N ATOM 1647 CA GLY A 106 -5.792 -1.834 -15.225 1.00 0.00 C ATOM 1648 C GLY A 106 -4.478 -1.109 -15.416 1.00 0.00 C ATOM 1649 O GLY A 106 -3.769 -1.295 -16.421 1.00 0.00 O ATOM 0 H GLY A 106 -5.973 -2.224 -13.166 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.635 -2.897 -15.410 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.499 -1.481 -15.976 1.00 0.00 H new ATOM 1653 N VAL A 107 -4.125 -0.257 -14.432 1.00 0.00 N ATOM 1654 CA VAL A 107 -2.890 0.492 -14.508 1.00 0.00 C ATOM 1655 C VAL A 107 -1.766 -0.089 -13.669 1.00 0.00 C ATOM 1656 O VAL A 107 -1.870 -0.090 -12.447 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.162 1.932 -14.033 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -1.914 2.718 -13.670 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -3.839 2.737 -15.142 1.00 0.00 C ATOM 0 H VAL A 107 -4.680 -0.084 -13.594 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.560 0.453 -15.546 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.782 1.810 -13.145 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.196 3.720 -13.346 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.387 2.211 -12.862 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.262 2.788 -14.541 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.025 3.753 -14.793 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.190 2.768 -16.017 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.785 2.266 -15.408 1.00 0.00 H new ATOM 1669 N GLU A 108 -0.742 -0.564 -14.403 1.00 0.00 N ATOM 1670 CA GLU A 108 0.413 -1.155 -13.704 1.00 0.00 C ATOM 1671 C GLU A 108 1.163 0.074 -13.176 1.00 0.00 C ATOM 1672 O GLU A 108 2.005 0.625 -13.861 1.00 0.00 O ATOM 1673 CB GLU A 108 1.234 -2.055 -14.596 1.00 0.00 C ATOM 1674 CG GLU A 108 0.589 -3.467 -14.655 1.00 0.00 C ATOM 1675 CD GLU A 108 0.267 -3.915 -16.063 1.00 0.00 C ATOM 1676 OE1 GLU A 108 -0.316 -3.113 -16.787 1.00 0.00 O ATOM 1677 OE2 GLU A 108 0.590 -5.044 -16.411 1.00 0.00 O ATOM 0 H GLU A 108 -0.688 -0.554 -15.422 1.00 0.00 H new ATOM 0 HA GLU A 108 0.134 -1.833 -12.898 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.296 -1.631 -15.598 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.253 -2.126 -14.217 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.266 -4.188 -14.197 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.326 -3.467 -14.062 1.00 0.00 H new ATOM 1684 N ALA A 109 0.775 0.430 -11.922 1.00 0.00 N ATOM 1685 CA ALA A 109 1.412 1.552 -11.344 1.00 0.00 C ATOM 1686 C ALA A 109 2.062 1.331 -9.961 1.00 0.00 C ATOM 1687 O ALA A 109 1.335 0.927 -9.088 1.00 0.00 O ATOM 1688 CB ALA A 109 0.218 2.445 -10.885 1.00 0.00 C ATOM 0 H ALA A 109 0.066 -0.035 -11.355 1.00 0.00 H new ATOM 0 HA ALA A 109 2.151 1.891 -12.070 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.601 3.352 -10.418 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.391 2.711 -11.749 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.392 1.896 -10.167 1.00 0.00 H new ATOM 1694 N LYS A 110 3.358 1.644 -10.039 1.00 0.00 N ATOM 1695 CA LYS A 110 4.092 1.481 -8.817 1.00 0.00 C ATOM 1696 C LYS A 110 4.208 2.836 -8.126 1.00 0.00 C ATOM 1697 O LYS A 110 3.983 3.855 -8.767 1.00 0.00 O ATOM 1698 CB LYS A 110 5.536 1.055 -9.126 1.00 0.00 C ATOM 1699 CG LYS A 110 5.468 0.046 -10.291 1.00 0.00 C ATOM 1700 CD LYS A 110 6.800 -0.654 -10.630 1.00 0.00 C ATOM 1701 CE LYS A 110 7.609 0.046 -11.698 1.00 0.00 C ATOM 1702 NZ LYS A 110 8.828 -0.694 -12.101 1.00 0.00 N ATOM 0 H LYS A 110 3.868 1.979 -10.857 1.00 0.00 H new ATOM 0 HA LYS A 110 3.577 0.741 -8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.143 1.918 -9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.001 0.602 -8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.727 -0.716 -10.049 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.112 0.566 -11.181 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.401 -0.727 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.590 -1.672 -10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.981 0.199 -12.575 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.897 1.033 -11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.333 -0.157 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.447 -0.819 -11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.560 -1.626 -12.477 1.00 0.00 H new ATOM 1716 N ARG A 111 4.556 2.668 -6.847 1.00 0.00 N ATOM 1717 CA ARG A 111 4.711 3.871 -6.040 1.00 0.00 C ATOM 1718 C ARG A 111 6.243 4.019 -5.815 1.00 0.00 C ATOM 1719 O ARG A 111 6.747 5.109 -5.998 1.00 0.00 O ATOM 1720 CB ARG A 111 3.991 3.739 -4.722 1.00 0.00 C ATOM 1721 CG ARG A 111 2.473 4.029 -4.850 1.00 0.00 C ATOM 1722 CD ARG A 111 1.872 4.393 -3.505 1.00 0.00 C ATOM 1723 NE ARG A 111 0.647 5.150 -3.763 1.00 0.00 N ATOM 1724 CZ ARG A 111 -0.033 5.726 -2.781 1.00 0.00 C ATOM 1725 NH1 ARG A 111 0.382 5.625 -1.509 1.00 0.00 N ATOM 1726 NH2 ARG A 111 -1.149 6.418 -3.028 1.00 0.00 N ATOM 0 H ARG A 111 4.724 1.778 -6.378 1.00 0.00 H new ATOM 0 HA ARG A 111 4.284 4.743 -6.535 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.135 2.732 -4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.431 4.427 -4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.313 4.844 -5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.965 3.153 -5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.654 3.495 -2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.574 4.987 -2.919 1.00 0.00 H new ATOM 0 HE ARG A 111 0.308 5.237 -4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.229 5.101 -1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.149 6.072 -0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -1.491 6.510 -3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.659 6.854 -2.260 1.00 0.00 H new ATOM 1740 N ILE A 112 6.793 2.842 -5.430 1.00 0.00 N ATOM 1741 CA ILE A 112 8.230 2.863 -5.190 1.00 0.00 C ATOM 1742 C ILE A 112 8.497 3.259 -3.715 1.00 0.00 C ATOM 1743 O ILE A 112 8.368 4.434 -3.432 1.00 0.00 O ATOM 1744 CB ILE A 112 9.065 3.576 -6.218 1.00 0.00 C ATOM 1745 CG1 ILE A 112 8.650 3.277 -7.677 1.00 0.00 C ATOM 1746 CG2 ILE A 112 10.525 3.159 -6.180 1.00 0.00 C ATOM 1747 CD1 ILE A 112 9.393 4.058 -8.773 1.00 0.00 C ATOM 0 H ILE A 112 6.310 1.954 -5.293 1.00 0.00 H new ATOM 0 HA ILE A 112 8.598 1.847 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 112 8.912 4.623 -5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.791 2.212 -7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.584 3.479 -7.777 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.079 3.705 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.942 3.383 -5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.603 2.089 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.014 3.762 -9.751 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.233 5.127 -8.630 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.459 3.840 -8.716 1.00 0.00 H new ATOM 1759 N PHE A 113 8.824 2.200 -3.004 1.00 0.00 N ATOM 1760 CA PHE A 113 9.127 2.235 -1.610 1.00 0.00 C ATOM 1761 C PHE A 113 10.370 1.360 -1.393 1.00 0.00 C ATOM 1762 O PHE A 113 10.817 0.826 -2.400 1.00 0.00 O ATOM 1763 CB PHE A 113 8.013 1.590 -0.769 1.00 0.00 C ATOM 1764 CG PHE A 113 6.857 2.514 -0.643 1.00 0.00 C ATOM 1765 CD1 PHE A 113 7.105 3.843 -0.238 1.00 0.00 C ATOM 1766 CD2 PHE A 113 5.521 2.224 -0.878 1.00 0.00 C ATOM 1767 CE1 PHE A 113 6.044 4.698 -0.120 1.00 0.00 C ATOM 1768 CE2 PHE A 113 4.519 3.162 -0.729 1.00 0.00 C ATOM 1769 CZ PHE A 113 4.755 4.287 -0.383 1.00 0.00 C ATOM 0 H PHE A 113 8.885 1.264 -3.406 1.00 0.00 H new ATOM 0 HA PHE A 113 9.258 3.276 -1.314 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.692 0.657 -1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.395 1.339 0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.110 4.177 -0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.254 1.225 -1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.220 5.719 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.497 2.876 -0.929 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.942 4.990 -0.276 1.00 0.00 H new ATOM 1779 N LYS A 114 10.761 1.317 -0.111 1.00 0.00 N ATOM 1780 CA LYS A 114 11.908 0.507 0.204 1.00 0.00 C ATOM 1781 C LYS A 114 11.825 -0.101 1.610 1.00 0.00 C ATOM 1782 O LYS A 114 10.786 -0.354 2.160 1.00 0.00 O ATOM 1783 CB LYS A 114 13.192 1.265 -0.108 1.00 0.00 C ATOM 1784 CG LYS A 114 13.511 2.573 0.583 1.00 0.00 C ATOM 1785 CD LYS A 114 12.639 2.914 1.791 1.00 0.00 C ATOM 1786 CE LYS A 114 12.075 4.366 1.729 1.00 0.00 C ATOM 1787 NZ LYS A 114 10.912 4.503 0.890 1.00 0.00 N ATOM 0 H LYS A 114 10.322 1.806 0.669 1.00 0.00 H new ATOM 0 HA LYS A 114 11.919 -0.368 -0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.021 0.586 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 114 13.195 1.461 -1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 114 14.552 2.548 0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 114 13.422 3.379 -0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.811 2.208 1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 114 13.224 2.793 2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.824 4.691 2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.855 5.034 1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 10.724 5.511 0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.080 4.023 -0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.091 4.073 1.362 1.00 0.00 H new ATOM 1801 N LYS A 115 13.004 -0.338 2.149 1.00 0.00 N ATOM 1802 CA LYS A 115 13.262 -0.920 3.448 1.00 0.00 C ATOM 1803 C LYS A 115 13.953 0.060 4.369 1.00 0.00 C ATOM 1804 O LYS A 115 13.964 1.266 4.174 1.00 0.00 O ATOM 1805 CB LYS A 115 14.030 -2.221 3.123 1.00 0.00 C ATOM 1806 CG LYS A 115 13.700 -3.323 4.134 1.00 0.00 C ATOM 1807 CD LYS A 115 15.039 -3.913 4.616 1.00 0.00 C ATOM 1808 CE LYS A 115 14.967 -4.941 5.728 1.00 0.00 C ATOM 1809 NZ LYS A 115 16.190 -5.610 6.106 1.00 0.00 N ATOM 0 H LYS A 115 13.867 -0.112 1.654 1.00 0.00 H new ATOM 0 HA LYS A 115 12.368 -1.160 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.774 -2.557 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.102 -2.026 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.133 -2.919 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.082 -4.095 3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.537 -4.370 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.672 -3.092 4.952 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.567 -4.448 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.245 -5.703 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.994 -6.283 6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.573 -6.122 5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.884 -4.907 6.430 1.00 0.00 H new ATOM 1823 N GLU A 116 14.546 -0.536 5.422 1.00 0.00 N ATOM 1824 CA GLU A 116 15.267 0.169 6.437 1.00 0.00 C ATOM 1825 C GLU A 116 16.547 0.849 5.897 1.00 0.00 C ATOM 1826 O GLU A 116 17.464 1.142 6.664 1.00 0.00 O ATOM 1827 CB GLU A 116 15.649 -0.856 7.527 1.00 0.00 C ATOM 1828 CG GLU A 116 14.990 -0.649 8.876 1.00 0.00 C ATOM 1829 CD GLU A 116 15.049 0.835 9.317 1.00 0.00 C ATOM 1830 OE1 GLU A 116 16.120 1.424 9.205 1.00 0.00 O ATOM 1831 OE2 GLU A 116 14.015 1.351 9.758 1.00 0.00 O ATOM 1832 OXT GLU A 116 16.646 1.097 4.700 1.00 0.00 O ATOM 0 H GLU A 116 14.522 -1.545 5.571 1.00 0.00 H new ATOM 0 HA GLU A 116 14.633 0.965 6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 116 15.396 -1.854 7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.730 -0.830 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.951 -0.974 8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 116 15.484 -1.271 9.622 1.00 0.00 H new TER 1839 GLU A 116